A0A087XH45_POEFO Loading...

Mitochondrial elongation factor 1

AlphaFold DB , UniProt , Accession A0A087XH45, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 475 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M35.6Very low34.5Very low243 Ų243147.6 Ų147.6100%1.19785%0.845SS**  0137.20-75.4-163-155.800108.4
2A33.7Very low34.9Very low102 Ų102151 Ų15184%0.84384%0.842SS**  trans40.9117.4155.100000117.8
3G28.9Very low36.1Very low70 Ų70150.8 Ų150.872%0.72284%0.839SS**  82130.159.600000108.4
4V36.8Very low37Very low123 Ų123149.8 Ų149.875%0.74583%0.831SS**  174.1143.258.2147.40000108.6
5N34.2Very low38Very low157 Ų157150.7 Ų150.784%0.8483%0.834SS**  trans51.2136.5150.4-60.7-8000120.3
6G31.5Very low38.9Very low73 Ų73144.8 Ų144.875%0.75382%0.818SS**  cis127.415541.600000105.5
7D34.4Very low39.8Very low129 Ų129143.5 Ų143.569%0.6981%0.807SS**  cis-167.4148.66.5-153.11.4000106.9
8R36.9Very low40.4Very low218 Ų218138.1 Ų138.182%0.82379%0.788SS**  trans31.2130.4150.8-70.5160.3179.3174.4-2.7122.9
9K32.7Very low41.3Very low215 Ų215136.2 Ų136.294%0.93578%0.78SS**  -164.2127.4110.9-137.9169.4-178.3173.20111.9
10G39.9Very low41.9Very low78 Ų78132.2 Ų132.280%0.80476%0.764SS**  trans-85.7169.8-17200000116.3
11K34.7Very low42.7Very low216 Ų216130.3 Ų130.394%0.93975%0.75SS**  trans-150.1121.4154.7-139.9170.6-176.5176.50110.8
12K40Very low43.7Very low188 Ų188123.8 Ų123.882%0.81772%0.72SS**  trans-46.6140.8-179.1-173176.4175.9-178.60115.9
13D50Low44.8Very low149 Ų149125.9 Ų125.980%0.79771%0.711SS**  trans-58139.1170.4-59.8-61.1000113.5
14D49.3Very low46Very low136 Ų136129.6 Ų129.673%0.72771%0.711SS**  trans-163.636.9160.7-95-24.9000113.2
15N51.6Low46.9Very low164 Ų164128 Ų12888%0.87770%0.698SS**  trans-110.313.1-176.6-99.920.9000116.1
16G52.8Low48Very low56 Ų56124.2 Ų124.258%0.57768%0.683SS**SBendtrans-98.7-19.9-177.600000116.4T19G16-T19 PolarHBondContact O-OG1 3.28Å
17I54.2Low48.9Very low122 Ų122124.4 Ų124.463%0.62667%0.667SS**Hα-helixtrans-94-31.7-169.1-63.9170.1000112T19 A20 I21I17-T19 PolarHBondContact O-N 3.26Å; I17-A20 PolarHBondContact O-N 3.04Å; I17-I21 HydrophobicContact CG2-CD1 3.68Å; I17-I21 HydrophobicContact CG2-CG1 4.4Å; I17-I21 WeakPolarHBondContact O-CG1 3.32Å; I17-I21 PolarHBondContact O-N 2.88Å
18G50.8Low49.8Very low46 Ų46120.5 Ų120.547%0.47465%0.653SS.*Hα-helixtrans-64.8-3818000000113.6I21 D22G18-I21 PolarHBondContact O-N 2.81Å; G18-D22 PolarHBondContact O-N 3.03Å; G18-D22 VanDerWaalsContact O-N 3.11Å
19T57.5Low50.4Low102 Ų102117.8 Ų117.863%0.62665%0.647SS**Hα-helixtrans-73.6-30.2-178.944.50000113.3G16 I17 F23G16-T19 PolarHBondContact O-OG1 3.28Å; I17-T19 PolarHBondContact O-N 3.26Å; T19-F23 PolarHBondContact O-N 3.29Å
20A53.3Low51.1Low56 Ų56113.2 Ų113.246%0.46363%0.632SS.*Hα-helixtrans-73.2-3717400000112I17 F23 M24I17-A20 PolarHBondContact O-N 3.04Å; A20-F23 PolarHBondContact O-N 3.31Å; A20-M24 WeakPolarHBondContact O-CG 3.26Å; A20-M24 PolarHBondContact O-N 2.59Å; A20-M24 VanDerWaalsContact O-N 3.08Å
21I57.6Low51.6Low93 Ų93114.7 Ų114.748%0.47763%0.625SS.*Hα-helixtrans-69.6-39.6178.5-68.4172000111.1I17 G18 F23 M24 L25I17-I21 HydrophobicContact CG2-CD1 3.68Å; I17-I21 HydrophobicContact CG2-CG1 4.4Å; I17-I21 WeakPolarHBondContact O-CG1 3.32Å; I17-I21 PolarHBondContact O-N 2.88Å; G18-I21 PolarHBondContact O-N 2.81Å; I21-F23 VanDerWaalsContact C-N 3.33Å; I21-F23 PolarHBondContact O-N 2.88Å; I21-M24 PolarHBondContact O-N 2.94Å; I21-L25 HydrophobicContact CG2-CD1 3.76Å; I21-L25 WeakPolarHBondContact O-CB 3.33Å; I21-L25 PolarHBondContact O-N 3.14Å
22D56.4Low52.4Low107 Ų107110.8 Ų110.857%0.57261%0.614SS**Hα-helixtrans-67.7-30.5175.7-83-23.2000113.3G18 S26G18-D22 PolarHBondContact O-N 3.03Å; G18-D22 VanDerWaalsContact O-N 3.11Å; D22-S26 WeakPolarHBondContact O-CB 3.47Å; D22-S26 PolarHBondContact O-N 2.81Å; D22-S26 PolarHBondContact O-OG 3.23Å
23F57.8Low53Low146 Ų146104 Ų10464%0.6460%0.598SS**Hα-helixtrans-73.2-38.2174.5-159.4-97.8000112T19 A20 I21 N27T19-F23 PolarHBondContact O-N 3.29Å; A20-F23 PolarHBondContact O-N 3.31Å; I21-F23 VanDerWaalsContact C-N 3.33Å; I21-F23 PolarHBondContact O-N 2.88Å; F23-N27 WeakPolarHBondContact CD1-ND2 3.44Å; F23-N27 VanDerWaalsContact CE1-ND2 3.25Å; F23-N27 WeakPolarHBondContact CE1-ND2 3.34Å; F23-N27 PolarHBondContact O-N 2.94Å; F23-N27 PolarHBondContact O-ND2 3.48Å; F23-N27 VanDerWaalsContact O-ND2 3.15Å
24M53.3Low53Low147 Ų147102.2 Ų102.272%0.72459%0.592SS**Hα-helixtrans-71.1-37.3174.4-67.2-160.294.300112.6A20 I21 A28A20-M24 WeakPolarHBondContact O-CG 3.26Å; A20-M24 PolarHBondContact O-N 2.59Å; A20-M24 VanDerWaalsContact O-N 3.08Å; I21-M24 PolarHBondContact O-N 2.94Å; M24-A28 VanDerWaalsContact O-CB 3.3Å; M24-A28 WeakPolarHBondContact O-CB 3.16Å; M24-A28 PolarHBondContact O-N 2.75Å
25L55.9Low52.8Low90 Ų9097.5 Ų97.547%0.47158%0.575SS.*Hα-helixtrans-68.6-35.3175.4-90.3155.9000112.9I21 K29I21-L25 HydrophobicContact CG2-CD1 3.76Å; I21-L25 WeakPolarHBondContact O-CB 3.33Å; I21-L25 PolarHBondContact O-N 3.14Å; L25-K29 PolarHBondContact O-N 2.9Å
26S56.6Low52.5Low77 Ų7791 Ų9154%0.53855%0.548SS..Hα-helixtrans-70.1-38.9176.3-66.10000112.3D22 L30D22-S26 WeakPolarHBondContact O-CB 3.47Å; D22-S26 PolarHBondContact O-N 2.81Å; D22-S26 PolarHBondContact O-OG 3.23Å; S26-L30 PolarHBondContact O-N 2.71Å; S26-L30 VanDerWaalsContact O-N 3.15Å
27N51.8Low52.5Low78 Ų7891.8 Ų91.842%0.41755%0.548SS..Hα-helixtrans-71.5-35.2173.9-72.4-36000112.4F23 L30 V31F23-N27 WeakPolarHBondContact CD1-ND2 3.44Å; F23-N27 VanDerWaalsContact CE1-ND2 3.25Å; F23-N27 WeakPolarHBondContact CE1-ND2 3.34Å; F23-N27 PolarHBondContact O-N 2.94Å; F23-N27 PolarHBondContact O-ND2 3.48Å; F23-N27 VanDerWaalsContact O-ND2 3.15Å; N27-L30 PolarHBondContact O-N 2.9Å; N27-V31 WeakPolarHBondContact O-CB 3.18Å; N27-V31 VanDerWaalsContact O-CG2 3.25Å; N27-V31 WeakPolarHBondContact O-CG2 3.43Å; N27-V31 PolarHBondContact O-N 2.94Å
28A51.9Low52.4Low46 Ų4688.6 Ų88.638%0.3854%0.54SS..Hα-helixtrans-65.9-39.4174.100000112.5M24 L32M24-A28 VanDerWaalsContact O-CB 3.3Å; M24-A28 WeakPolarHBondContact O-CB 3.16Å; M24-A28 PolarHBondContact O-N 2.75Å; A28-L32 VanDerWaalsContact O-CB 3.28Å; A28-L32 WeakPolarHBondContact O-CB 3.34Å; A28-L32 PolarHBondContact O-N 3.34Å
29K49.4Very low52.3Low161 Ų16193.2 Ų93.270%0.755%0.551SS**Hα-helixtrans-67.2-34.7174.5-84.1178.4176.3171.70113L25 G33L25-K29 PolarHBondContact O-N 2.9Å; K29-G33 PolarHBondContact O-N 3.46Å
30L48Very low52.1Low119 Ų11994.3 Ų94.362%0.62355%0.552SS**Hα-helixtrans-70.4-42.9176.4-154.493.7000111.6S26 N27 G33 V34S26-L30 PolarHBondContact O-N 2.71Å; S26-L30 VanDerWaalsContact O-N 3.15Å; N27-L30 PolarHBondContact O-N 2.9Å; L30-G33 PolarHBondContact O-N 3.23Å; L30-V34 WeakPolarHBondContact O-CG2 3.38Å; L30-V34 PolarHBondContact O-N 3.48Å; L30-V34 VanDerWaalsContact O-N 3.12Å
31V50.7Low51.9Low110 Ų11093.1 Ų93.167%0.66755%0.545SS*.Hα-helixtrans-71.8-34.7179.3174.80000111.7N27 G35N27-V31 WeakPolarHBondContact O-CB 3.18Å; N27-V31 VanDerWaalsContact O-CG2 3.25Å; N27-V31 WeakPolarHBondContact O-CG2 3.43Å; N27-V31 PolarHBondContact O-N 2.94Å; V31-G35 PolarHBondContact O-N 2.91Å; V31-G35 VanDerWaalsContact O-N 3.15Å
32L52.3Low51.6Low134 Ų13494.4 Ų94.470%0.70255%0.552SS**Hα-helixtrans-73.6-33.5171.3-90.6151.9000113.3A28 G36A28-L32 VanDerWaalsContact O-CB 3.28Å; A28-L32 WeakPolarHBondContact O-CB 3.34Å; A28-L32 PolarHBondContact O-N 3.34Å; L32-G36 WeakPolarHBondContact O-CA 3.48Å; L32-G36 PolarHBondContact O-N 3.2Å
33G50.9Low51Low46 Ų4692 Ų9247%0.47455%0.547SS..Hα-helixtrans-72.2-41.2-179.400000113.7K29 L30K29-G33 PolarHBondContact O-N 3.46Å; L30-G33 PolarHBondContact O-N 3.23Å
34V50.9Low50.7Low110 Ų11089.2 Ų89.267%0.66754%0.542SS*.Hα-helixtrans-88.6-34.4-177.6-173.30000111.7L30L30-V34 WeakPolarHBondContact O-CG2 3.38Å; L30-V34 PolarHBondContact O-N 3.48Å; L30-V34 VanDerWaalsContact O-N 3.12Å
35G44.8Very low50.6Low37 Ų3787.4 Ų87.438%0.38154%0.535SS..Hα-helixtrans-77.2-34.4175.200000114V31 M39V31-G35 PolarHBondContact O-N 2.91Å; V31-G35 VanDerWaalsContact O-N 3.15Å; G35-M39 PolarHBondContact O-N 3.48Å
36G46.1Very low50.2Low29 Ų2985.4 Ų85.430%0.29953%0.532SS..Hα-helixtrans-70.4-40.3-179.200000113.6L32 L40L32-G36 WeakPolarHBondContact O-CA 3.48Å; L32-G36 PolarHBondContact O-N 3.2Å; G36-L40 PolarHBondContact O-N 2.83Å; G36-L40 VanDerWaalsContact O-N 3.12Å
37A52.6Low49.6Very low71 Ų7186 Ų8659%0.58753%0.531SS*.Hα-helixtrans-69.5-36.917900000112.7G41A37-G41 PolarHBondContact O-N 3.41Å; A37-G41 VanDerWaalsContact O-N 3.08Å
38A52.1Low49.4Very low55 Ų5589 Ų8946%0.45554%0.541SS..Hα-helixtrans-68.5-42.2177.300000112.1G41 I42A38-G41 PolarHBondContact O-N 2.84Å; A38-I42 VanDerWaalsContact O-CG1 3.29Å; A38-I42 WeakPolarHBondContact O-CG1 3.2Å; A38-I42 PolarHBondContact O-N 3.14Å
39M48.9Very low49.5Very low143 Ų14396 Ų9670%0.70456%0.557SS**Hα-helixtrans-68.8-35.5176.9-76-144.7-7500113G35 I42 A43G35-M39 PolarHBondContact O-N 3.48Å; M39-I42 PolarHBondContact O-N 3.26Å; M39-A43 WeakPolarHBondContact O-CB 3.49Å; M39-A43 PolarHBondContact O-N 3.09Å
40L51.7Low49.3Very low125 Ų12594.4 Ų94.465%0.65455%0.554SS**Hα-helixtrans-67.5-36.1174.1-119.8127.4000112.3G36 T44G36-L40 PolarHBondContact O-N 2.83Å; G36-L40 VanDerWaalsContact O-N 3.12Å; L40-T44 PolarHBondContact O-N 3.4Å; L40-T44 PolarHBondContact O-OG1 3.3Å
41G49Very low49.2Very low31 Ų3196.3 Ų96.332%0.3255%0.554SS.*Hα-helixtrans-66.7-38.3174.400000113.6A37 A38 T44 L45A37-G41 PolarHBondContact O-N 3.41Å; A37-G41 VanDerWaalsContact O-N 3.08Å; A38-G41 PolarHBondContact O-N 2.84Å; G41-T44 PolarHBondContact O-OG1 3.32Å; G41-L45 PolarHBondContact O-N 3.1Å
42I53.3Low49Very low120 Ų12096 Ų9662%0.61555%0.549SS*.Hα-helixtrans-72.2-40.8177.4-65.7165.5000110.9A38 M39 L45 A46A38-I42 VanDerWaalsContact O-CG1 3.29Å; A38-I42 WeakPolarHBondContact O-CG1 3.2Å; A38-I42 PolarHBondContact O-N 3.14Å; M39-I42 PolarHBondContact O-N 3.26Å; I42-L45 PolarHBondContact O-N 2.99Å; I42-A46 WeakPolarHBondContact O-CB 3.48Å; I42-A46 PolarHBondContact O-N 3.27Å; I42-A46 VanDerWaalsContact O-N 3.07Å
43A43.4Very low48.6Very low56 Ų56100 Ų10046%0.46355%0.554SS.*Hα-helixtrans-66.9-39.2178.300000112.6M39 A46 V47M39-A43 WeakPolarHBondContact O-CB 3.49Å; M39-A43 PolarHBondContact O-N 3.09Å; A43-A46 PolarHBondContact O-N 3.09Å; A43-V47 WeakPolarHBondContact O-CG2 3.36Å; A43-V47 PolarHBondContact O-N 2.94Å; A43-V47 VanDerWaalsContact O-N 3.13Å
44T51Low48.1Very low88 Ų88103 Ų10354%0.5456%0.564SS.*Hα-helixtrans-70.6-34.917740.80000113L40 G41 K48L40-T44 PolarHBondContact O-N 3.4Å; L40-T44 PolarHBondContact O-OG1 3.3Å; G41-T44 PolarHBondContact O-OG1 3.32Å; T44-K48 WeakPolarHBondContact O-CB 3.41Å; T44-K48 PolarHBondContact O-N 2.85Å
45L50.2Low47.5Very low109 Ų109104 Ų10457%0.57156%0.564SS**Hα-helixtrans-68.6-35.3173.1-92.7163000113G41 I42 R49G41-L45 PolarHBondContact O-N 3.1Å; I42-L45 PolarHBondContact O-N 2.99Å; L45-R49 WeakPolarHBondContact O-CB 3.37Å; L45-R49 PolarHBondContact O-N 3.49Å
46A47.7Very low47.1Very low49 Ų49106.6 Ų106.641%0.40558%0.577SS.*Hα-helixtrans-68.9-40.5176.900000112.2I42 A43 R49 M50I42-A46 WeakPolarHBondContact O-CB 3.48Å; I42-A46 PolarHBondContact O-N 3.27Å; I42-A46 VanDerWaalsContact O-N 3.07Å; A43-A46 PolarHBondContact O-N 3.09Å; A46-R49 PolarHBondContact O-N 3.49Å; A46-M50 PolarHBondContact O-N 2.98Å
47V45.1Very low46.3Very low88 Ų88109.6 Ų109.653%0.53360%0.599SS.*Hα-helixtrans-68.4-39.4175.8175.30000111.1A43 M50 Y51A43-V47 WeakPolarHBondContact O-CG2 3.36Å; A43-V47 PolarHBondContact O-N 2.94Å; A43-V47 VanDerWaalsContact O-N 3.13Å; V47-M50 PolarHBondContact O-N 3.35Å; V47-Y51 PolarHBondContact O-N 3.36Å
48K46.5Very low45.6Very low142 Ų142112 Ų11262%0.61761%0.608SS**Hα-helixtrans-65-41.4175.2-168.6173.2-178.8176.70112.4T44 M50 Y51 D52T44-K48 WeakPolarHBondContact O-CB 3.41Å; T44-K48 PolarHBondContact O-N 2.85Å; K48-M50 VanDerWaalsContact C-N 3.33Å; K48-M50 PolarHBondContact O-N 2.97Å; K48-Y51 PolarHBondContact O-N 3.29Å; K48-D52 PolarHBondContact O-N 2.93Å; K48-D52 VanDerWaalsContact O-N 3.08Å
49R54.6Low44.4Very low192 Ų192116.5 Ų116.573%0.72563%0.63SS**Hα-helixtrans-68.9-25.8175.2-86.7-170.9174.2154.7-0.6114.2L45 A46 R53L45-R49 WeakPolarHBondContact O-CB 3.37Å; L45-R49 PolarHBondContact O-N 3.49Å; A46-R49 PolarHBondContact O-N 3.49Å; R49-R53 WeakPolarHBondContact O-CB 3.32Å
50M45.9Very low43.4Very low128 Ų128115.1 Ų115.163%0.63163%0.634SS**Hα-helixtrans-79.2-35.2173.8-78.8-163.7-74.500112.3A46 V47 K48 R53 T54A46-M50 PolarHBondContact O-N 2.98Å; V47-M50 PolarHBondContact O-N 3.35Å; K48-M50 VanDerWaalsContact C-N 3.33Å; K48-M50 PolarHBondContact O-N 2.97Å; M50-R53 PolarHBondContact O-N 3.31Å; M50-T54 PolarHBondContact O-N 3.44Å; M50-T54 PolarHBondContact O-OG1 3.5Å
51Y45.1Very low43.2Very low159 Ų159114.4 Ų114.462%0.62464%0.637SS**Hα-helixtrans-71.9-36.5177.4-125.1-91.3000113V47 K48 R53 T54 I55V47-Y51 PolarHBondContact O-N 3.36Å; K48-Y51 PolarHBondContact O-N 3.29Å; Y51-R53 PolarHBondContact O-N 2.96Å; Y51-T54 PolarHBondContact O-N 3.34Å; Y51-T54 PolarHBondContact O-OG1 2.91Å; Y51-I55 HydrophobicContact CD1-CD1 4.12Å; Y51-I55 HydrophobicContact CE1-CD1 4.34Å
52D46.5Very low42.1Very low105 Ų105118.5 Ų118.556%0.56166%0.656SS**Hα-helixtrans-70.1-20.4175.6-74.5-23.9000112.6K48 S56K48-D52 PolarHBondContact O-N 2.93Å; K48-D52 VanDerWaalsContact O-N 3.08Å; D52-S56 PolarHBondContact O-OG 2.96Å
53R45.3Very low40.8Very low216 Ų216121.4 Ų121.482%0.81567%0.665SS**Hα-helixtrans-89.9-13.7-180-134.7175.5-172.4146.21.1114.1R49 M50 Y51R49-R53 WeakPolarHBondContact O-CB 3.32Å; M50-R53 PolarHBondContact O-N 3.31Å; Y51-R53 PolarHBondContact O-N 2.96Å
54T38.4Very low40Very low110 Ų110126 Ų12668%0.67568%0.678SS**Hα-helixtrans-97.4-7.3178.7490000113.8M50 Y51M50-T54 PolarHBondContact O-N 3.44Å; M50-T54 PolarHBondContact O-OG1 3.5Å; Y51-T54 PolarHBondContact O-N 3.34Å; Y51-T54 PolarHBondContact O-OG1 2.91Å
55I39.6Very low38.7Very low131 Ų131129 Ų12967%0.67269%0.686SS**SBendtrans-106.5-6.3-179.3-64.4172.4000113.1Y51Y51-I55 HydrophobicContact CD1-CD1 4.12Å; Y51-I55 HydrophobicContact CE1-CD1 4.34Å
56S36Very low37.6Very low92 Ų92131.3 Ų131.364%0.64369%0.694SS**  trans-118.383-17148.10000114.6D52D52-S56 PolarHBondContact O-OG 2.96Å
57A28.9Very low36.5Very low92 Ų92135.8 Ų135.876%0.7672%0.717SS**  trans-166.9154145.600000110.3
58P39.1Very low35.5Very low120 Ų120135 Ų13578%0.77973%0.726SS**  cis-129.3150.6-34.835.8-20.7000111.6
59T26.8Very low34.6Very low150 Ų150138.8 Ų138.892%0.9274%0.743SS**  trans-141.1129.1155.950.90000110.1
60S28.1Very low33.2Very low114 Ų114141.7 Ų141.780%0.79775%0.754SS**  trans-125.9164.9159.955.60000106.5
61P45.8Very low32.2Very low111 Ų111140.7 Ų140.772%0.72176%0.759SS**  cis-126.7-178.11229-4.2000112.3
62T26.1Very low31.3Very low116 Ų116144 Ų14471%0.71277%0.77SS**  174.8144.983-220000112.5
63K27.7Very low30.3Very low182 Ų182148.2 Ų148.279%0.79179%0.787SS**  trans65.7114.1151-80.2171-177.4-176.30120.8
64M25.2Very low29.5Very low151 Ų151146.4 Ų146.474%0.74479%0.787SS**  87.9123.590.4-157.9165.6170.400110.1
65Q24.2Very low29.1Very low151 Ų151146.1 Ų146.171%0.70679%0.787SS**  -177.6131.361.1-158.2166.10.800113.1
66Q26.8Very low28.3Very low158 Ų158144.3 Ų144.374%0.73879%0.792SS**  trans37.3147.5140.1-60.1-177.6-36.400127.5
67T25.2Very low28Very low144 Ų144151.7 Ų151.788%0.88381%0.806SS**  trans96.8126.9151.773.90000116.3
68G24.7Very low27.9Very low71 Ų71154 Ų15473%0.73281%0.811SS**  cis171.2126.4-4.100000109.8
69K27.3Very low27.4Very low222 Ų222151.8 Ų151.897%0.96581%0.809SS**  trans154.1128.1143.8-86.1178.7-179.4-177.40110.8
70R25.7Very low27.3Very low253 Ų253150 Ų15096%0.95580%0.803SS**  trans-78.7141.4-173.3-69.1170.3168169.8-6112.2
71S24.5Very low27.2Very low106 Ų106149.3 Ų149.374%0.74180%0.798SS**  trans-164.5110148-175.90000109.8
72W25.2Very low26.5Very low229 Ų229149.6 Ų149.687%0.86780%0.8SS**  trans27.284.9161.8-58.898.8000119.7
73E25.6Very low26.9Very low194 Ų194154.5 Ų154.591%0.90781%0.805SS**  trans-140.5110.7146.5-83.2-177.1165.100106.7
74E28.1Very low27.4Very low177 Ų177151.9 Ų151.983%0.82780%0.804SS**  trans-86.8153.7171-91.9-167.9163.500111.1
75P30.5Very low28Very low104 Ų104149.4 Ų149.468%0.67579%0.793SS**  trans-91.6139.7-142.3-2.922000113.8W77P75-W77 PolarHBondContact O-N 3.47Å
76A24Very low28.7Very low93 Ų93148.1 Ų148.177%0.76979%0.791SS**  trans-61.4115.1162.800000110.9V78A76-V78 PolarHBondContact O-N 2.59Å
77W27.8Very low29.3Very low248 Ų248147.7 Ų147.794%0.93979%0.789SS**  trans-75.9103.8155.5-74.497000108.5P75P75-W77 PolarHBondContact O-N 3.47Å
78V28.3Very low29.8Very low141 Ų141146.5 Ų146.586%0.85578%0.777SS**  trans-68.2121.2162.5171.60000107.8A76A76-V78 PolarHBondContact O-N 2.59Å
79G27.7Very low30.6Very low72 Ų72147.4 Ų147.474%0.74276%0.763SS**  trans173.924.6174.600000120.1
80S24.5Very low31.4Very low114 Ų114143.3 Ų143.380%0.79775%0.746SS**  trans-153.9106.6163.752.50000111.9
81S26.7Very low32.1Very low98 Ų98133.6 Ų133.669%0.68572%0.716SS**  trans-54.5134.7167.5161.40000110.4R83S81-R83 PolarHBondContact O-N 3.14Å
82P31.3Very low32.8Very low118 Ų118132.2 Ų132.277%0.76670%0.704SS**  trans-71.1104.5170.828.2-29.3000107.5V84P82-V84 PolarHBondContact O-N 2.96Å; P82-V84 VanDerWaalsContact O-N 3.11Å
83R35Very low33.7Very low219 Ų219123.7 Ų123.783%0.82668%0.677SS**  trans-74.599.8170.1-73-176.5-179.5173.31.1107.8S81 L85S81-R83 PolarHBondContact O-N 3.14Å; R83-L85 PolarHBondContact O-N 3.06Å
84V36.8Very low34.5Very low126 Ų126117.6 Ų117.676%0.76466%0.656SS**  trans-53.5124.9161.2-1790000107.5P82 N86P82-V84 PolarHBondContact O-N 2.96Å; P82-V84 VanDerWaalsContact O-N 3.11Å; V84-N86 PolarHBondContact O-N 3.4Å; V84-N86 VanDerWaalsContact O-N 3.08Å
85L38.3Very low34.9Very low99 Ų99117.5 Ų117.552%0.51865%0.648SS.*  trans-64108.7179.1-84.9154.8000109.8R83 M89R83-L85 PolarHBondContact O-N 3.06Å; L85-M89 HydrophobicContact CD2-CB 3.71Å; L85-M89 HydrophobicContact CD2-CE 3.83Å; L85-M89 HydrophobicContact CD2-CG 3.63Å
86N38.7Very low35.3Very low124 Ų124115.1 Ų115.166%0.66363%0.634SS**  trans-66.1151.6173.3-101.6-26.9000111.3V84 D88 M89 K90V84-N86 PolarHBondContact O-N 3.4Å; V84-N86 VanDerWaalsContact O-N 3.08Å; N86-D88 PolarHBondContact O-N 3.38Å; N86-D88 VanDerWaalsContact O-N 3.08Å; N86-M89 WeakPolarHBondContact O-CA 3.22Å; N86-M89 VanDerWaalsContact O-CB 3.29Å; N86-M89 WeakPolarHBondContact O-CB 3.4Å; N86-M89 PolarHBondContact O-N 3.41Å; N86-K90 PolarHBondContact O-N 3.32Å
87H39Very low36.1Very low149 Ų149114.5 Ų114.569%0.6962%0.617SS**Hα-helixtrans-52-31.9-178.4-173.1-79.3000113.7M89 K90 S91H87-M89 VanDerWaalsContact C-N 3.33Å; H87-M89 PolarHBondContact O-N 3.21Å; H87-K90 WeakPolarHBondContact O-CB 3.47Å; H87-K90 PolarHBondContact O-N 3.25Å; H87-S91 PolarHBondContact O-N 2.88Å; H87-S91 VanDerWaalsContact O-N 3.17Å
88D36.2Very low37Very low119 Ų119110.4 Ų110.464%0.63661%0.608SS**Hα-helixtrans-68.6-30.6176.2-71.7-20.2000113.1N86 S91 T92N86-D88 PolarHBondContact O-N 3.38Å; N86-D88 VanDerWaalsContact O-N 3.08Å; D88-S91 PolarHBondContact O-N 3.36Å; D88-S91 PolarHBondContact O-OG 3.47Å; D88-T92 PolarHBondContact O-N 2.81Å; D88-T92 PolarHBondContact O-OG1 3.41Å
89M41.6Very low37.4Very low90 Ų90108.2 Ų108.244%0.44360%0.599SS.*Hα-helixtrans-69.6-38.1174.8-137.1107.972.600110.6L85 N86 H87 S91 T92 V93L85-M89 HydrophobicContact CD2-CB 3.71Å; L85-M89 HydrophobicContact CD2-CE 3.83Å; L85-M89 HydrophobicContact CD2-CG 3.63Å; N86-M89 WeakPolarHBondContact O-CA 3.22Å; N86-M89 VanDerWaalsContact O-CB 3.29Å; N86-M89 WeakPolarHBondContact O-CB 3.4Å; N86-M89 PolarHBondContact O-N 3.41Å; H87-M89 VanDerWaalsContact C-N 3.33Å; H87-M89 PolarHBondContact O-N 3.21Å; M89-S91 VanDerWaalsContact C-N 3.33Å; M89-S91 PolarHBondContact O-N 2.98Å; M89-T92 PolarHBondContact O-N 2.94Å; M89-V93 WeakPolarHBondContact O-CB 3.32Å; M89-V93 WeakPolarHBondContact O-CG2 3.44Å; M89-V93 PolarHBondContact O-N 3.05Å
90K44Very low37.6Very low137 Ų137110.2 Ų110.260%0.59659%0.592SS**Hα-helixtrans-60-43.2172.3-66.6-174.5175.7-173.30111.3N86 H87 T92 V93 S94N86-K90 PolarHBondContact O-N 3.32Å; H87-K90 WeakPolarHBondContact O-CB 3.47Å; H87-K90 PolarHBondContact O-N 3.25Å; K90-T92 VanDerWaalsContact C-N 3.31Å; K90-T92 PolarHBondContact O-N 2.87Å; K90-V93 PolarHBondContact O-N 3.34Å; K90-S94 PolarHBondContact O-N 3.4Å; K90-S94 PolarHBondContact O-OG 2.88Å
91S41.3Very low37.9Very low48 Ų48109.8 Ų109.834%0.33659%0.587SS.*Hα-helixtrans-67.7-30.8177.581.50000113.6H87 D88 M89 R95H87-S91 PolarHBondContact O-N 2.88Å; H87-S91 VanDerWaalsContact O-N 3.17Å; D88-S91 PolarHBondContact O-N 3.36Å; D88-S91 PolarHBondContact O-OG 3.47Å; M89-S91 VanDerWaalsContact C-N 3.33Å; M89-S91 PolarHBondContact O-N 2.98Å; S91-R95 PolarHBondContact O-N 3.44Å
92T39.3Very low38.5Very low78 Ų78111.6 Ų111.648%0.47959%0.594SS.*Hα-helixtrans-75.5-39176.5-51.20000110.6D88 M89 K90 R95 S96D88-T92 PolarHBondContact O-N 2.81Å; D88-T92 PolarHBondContact O-OG1 3.41Å; M89-T92 PolarHBondContact O-N 2.94Å; K90-T92 VanDerWaalsContact C-N 3.31Å; K90-T92 PolarHBondContact O-N 2.87Å; T92-R95 PolarHBondContact O-N 3.15Å; T92-R95 VanDerWaalsContact O-N 3.16Å; T92-S96 PolarHBondContact O-N 2.74Å; T92-S96 PolarHBondContact O-OG 3.11Å
93V42.7Very low38.4Very low49 Ų49111 Ų11130%0.29759%0.588SS.*Hα-helixtrans-60.8-44.5172.1169.90000111.2M89 K90 R95 S96 L97M89-V93 WeakPolarHBondContact O-CB 3.32Å; M89-V93 WeakPolarHBondContact O-CG2 3.44Å; M89-V93 PolarHBondContact O-N 3.05Å; K90-V93 PolarHBondContact O-N 3.34Å; V93-R95 VanDerWaalsContact C-N 3.26Å; V93-R95 PolarHBondContact O-N 3.39Å; V93-S96 PolarHBondContact O-N 2.87Å; V93-L97 HydrophobicContact CG1-CD1 4.38Å; V93-L97 WeakPolarHBondContact O-CG 3.22Å; V93-L97 PolarHBondContact O-N 2.93Å
94S41.9Very low38.3Very low67 Ų67106.5 Ų106.547%0.46959%0.59SS.*Hα-helixtrans-61.4-33.4174.7-51.70000112.9K90 Q98K90-S94 PolarHBondContact O-N 3.4Å; K90-S94 PolarHBondContact O-OG 2.88Å; S94-Q98 WeakPolarHBondContact O-CG 3.48Å
95R36.7Very low37.9Very low175 Ų175104.9 Ų104.966%0.6658%0.584SS**Hα-helixtrans-79.5-34.2179.5-156.1-179.6-63.3170.12112.4S91 T92 V93 Q98S91-R95 PolarHBondContact O-N 3.44Å; T92-R95 PolarHBondContact O-N 3.15Å; T92-R95 VanDerWaalsContact O-N 3.16Å; V93-R95 VanDerWaalsContact C-N 3.26Å; V93-R95 PolarHBondContact O-N 3.39Å; R95-Q98 PolarHBondContact O-N 3.38Å
96S39.2Very low37.4Very low54 Ų54106 Ų10638%0.37860%0.6SS.*Hα-helixtrans-68.5-33.9173.4-68.10000112.3T92 V93 Q98 S99T92-S96 PolarHBondContact O-N 2.74Å; T92-S96 PolarHBondContact O-OG 3.11Å; V93-S96 PolarHBondContact O-N 2.87Å; S96-Q98 VanDerWaalsContact C-N 3.28Å; S96-Q98 PolarHBondContact O-N 3.48Å; S96-S99 PolarHBondContact O-N 3.05Å; S96-S99 VanDerWaalsContact O-N 3.1Å; S96-S99 PolarHBondContact O-OG 3.2Å
97L42.1Very low36.9Very low79 Ų79108.6 Ų108.641%0.41461%0.605SS.*Hα-helixtrans-64.3-30172.6-73.3169.9000113.1V93 S99V93-L97 HydrophobicContact CG1-CD1 4.38Å; V93-L97 WeakPolarHBondContact O-CG 3.22Å; V93-L97 PolarHBondContact O-N 2.93Å; L97-S99 VanDerWaalsContact C-N 3.26Å; L97-S99 PolarHBondContact O-N 3.24Å
98Q44.9Very low36.3Very low163 Ų163110.1 Ų110.176%0.76261%0.613SS**THydrogen-bonded Turntrans-74.7-13.8174.2-68.2173.6-3.500113.5S94 R95 S96S94-Q98 WeakPolarHBondContact O-CG 3.48Å; R95-Q98 PolarHBondContact O-N 3.38Å; S96-Q98 VanDerWaalsContact C-N 3.28Å; S96-Q98 PolarHBondContact O-N 3.48Å
99S36.9Very low36Very low95 Ų95109.2 Ų109.266%0.66462%0.622SS**THydrogen-bonded Turntrans-92.9-6-179.472.60000114.4S96 L97S96-S99 PolarHBondContact O-N 3.05Å; S96-S99 VanDerWaalsContact O-N 3.1Å; S96-S99 PolarHBondContact O-OG 3.2Å; L97-S99 VanDerWaalsContact C-N 3.26Å; L97-S99 PolarHBondContact O-N 3.24Å
100L32.4Very low35.4Very low113 Ų113112.5 Ų112.559%0.59264%0.641SS**SBendtrans-86.3133.9171.9-75.5158.1000109.3T102L100-T102 PolarHBondContact O-N 2.96Å
101P31.7Very low34.6Very low105 Ų105111.5 Ų111.568%0.68265%0.65SS**  trans-68.8109.6-176.322.8-25.2000110.3T103P101-T103 PolarHBondContact O-N 3.41Å
102T37.6Very low34.2Very low137 Ų137117.7 Ų117.784%0.8468%0.679SS**  trans-78.992163.246.70000108.6L100L100-T102 PolarHBondContact O-N 2.96Å
103T31Very low33.9Very low106 Ų106125.7 Ų125.765%0.6570%0.7SS**  trans-124.1103.7165.7500000109.5P101 C105P101-T103 PolarHBondContact O-N 3.41Å; T103-C105 PolarHBondContact O-N 2.9Å
104S32.2Very low33.3Very low124 Ų124134.6 Ų134.687%0.86773%0.728SS**  trans-65.499.3157.848.20000108.1
105C28.2Very low32.8Very low92 Ų92136.9 Ų136.962%0.62275%0.751SS**  trans-97.396.6170.8-74.20000108.9T103 F107T103-C105 PolarHBondContact O-N 2.9Å; C105-F107 HydrophobicContact CB-CD2 4.28Å; C105-F107 PolarHBondContact O-N 3.07Å
106S27.5Very low32.8Very low122 Ų122133.2 Ų133.285%0.85376%0.758SS**  trans-63.7110154.452.40000107.8
107F28Very low32.4Very low179 Ų179134 Ų13479%0.78578%0.775SS**  trans-106.5108171.9-116.5-88.7000109C105 A109C105-F107 HydrophobicContact CB-CD2 4.28Å; C105-F107 PolarHBondContact O-N 3.07Å; F107-A109 PolarHBondContact O-N 3.4Å
108E26.7Very low31.8Very low180 Ų180142.1 Ų142.184%0.84180%0.8SS**  trans-61128.3162.5-76.4177.7148.600109.1D110E108-D110 PolarHBondContact O-N 3.43Å; E108-D110 VanDerWaalsContact O-N 3.13Å
109A30Very low31.4Very low101 Ų101140.3 Ų140.384%0.83581%0.805SS**SBendtrans-78.689.1177.300000110.1F107F107-A109 PolarHBondContact O-N 3.4Å
110D28.3Very low31.2Very low158 Ų158139.7 Ų139.785%0.84581%0.806SS**  trans-158.841.2168.4-116.2-9.4000115.7E108E108-D110 PolarHBondContact O-N 3.43Å; E108-D110 VanDerWaalsContact O-N 3.13Å
111C27.8Very low31.3Very low116 Ų116141.6 Ų141.678%0.78482%0.822SS**  trans-111.92.7178.7-74.80000116.7
112L32.8Very low31.3Very low179 Ų179140.3 Ų140.394%0.93783%0.828SS**THydrogen-bonded Turntrans-94.113.4-176.1-74.9174.9000116.4
113R32.5Very low31.1Very low246 Ų246137.5 Ų137.593%0.92883%0.826SS**THydrogen-bonded Turntrans-125.319.9-179.3-87-167.7-169164.56.2118.2
114R31.1Very low31.5Very low235 Ų235139.2 Ų139.289%0.88784%0.842SS**  trans-136.622.8176.3-126.2177.3-85.7149.5-5.7117.6A116R114-A116 PolarHBondContact O-N 3.02Å
115A32.3Very low31.9Very low115 Ų115135.9 Ų135.995%0.9583%0.828SS**  trans-8348173.800000113.7
116A36.4Very low32.7Very low98 Ų98135.6 Ų135.681%0.8183%0.832SS**SBendtrans-138.792.6163.900000108.9R114R114-A116 PolarHBondContact O-N 3.02Å
117G30.6Very low34Very low70 Ų70134.1 Ų134.172%0.72282%0.818SS**SBendtrans106.592.7166.200000115.3
118R29.9Very low35.2Very low251 Ų251133.8 Ų133.895%0.94782%0.819SS**  168.7125.6113.7-90.7171.2178.4-159.8-1.1110.1
119S35Very low36.7Very low124 Ų124128.6 Ų128.687%0.86780%0.802SS**  trans-66.6134.5166.6-179.90000110
120A33.2Very low38Very low82 Ų82126.1 Ų126.168%0.67878%0.779SS**  trans147.5127.8131.300000112.4
121V34.4Very low39.5Very low153 Ų153123.8 Ų123.893%0.92777%0.766SS**  trans74.4115.2160.2-165.20000118.2
122G31.4Very low40.9Very low79 Ų79124.1 Ų124.181%0.81476%0.758SS**  trans121.4120.3148.300000116.4
123G33.3Very low42.3Very low78 Ų78119.7 Ų119.780%0.80473%0.732SS**  trans9551.6150.800000118.4G125G123-G125 VanDerWaalsContact C-N 3.27Å; G123-G125 PolarHBondContact O-N 2.93Å
124S40Very low43.5Very low141 Ų141110.1 Ų110.199%0.98671%0.705SS**  trans-73.481.5163.6175.20000110.2
125G40.4Very low44.9Very low54 Ų54108 Ų10856%0.55770%0.697SS**  trans-145.318.7-176.400000114.9G123 T127G123-G125 VanDerWaalsContact C-N 3.27Å; G123-G125 PolarHBondContact O-N 2.93Å; G125-T127 PolarHBondContact O-N 2.87Å
126A45.9Very low46.4Very low86 Ų86107.4 Ų107.471%0.71168%0.676SS**  trans-70.289.6161.600000107.3
127T54.5Low47.5Very low91 Ų91108.2 Ų108.256%0.55866%0.658SS**  trans-55.9135.8-171.332.90000111.3G125 S129 S130G125-T127 PolarHBondContact O-N 2.87Å; T127-S129 PolarHBondContact O-N 3.45Å; T127-S130 PolarHBondContact O-N 3.07Å; T127-S130 PolarHBondContact O-OG 2.79Å
128Q53.7Low49.1Very low173 Ų173110 Ų11081%0.80865%0.65SS**Hα-helixtrans-48.2-26.3175.8-68.8-179.8-11.300113.7L131 M132Q128-L131 PolarHBondContact O-N 2.86Å; Q128-M132 WeakPolarHBondContact O-CB 3.08Å; Q128-M132 PolarHBondContact O-N 2.95Å
129S56.7Low51.5Low71 Ų7199.8 Ų99.850%0.49762%0.618SS.*Hα-helixtrans-59.4-41.8171.4-175.30000113.9T127 M132 Q133T127-S129 PolarHBondContact O-N 3.45Å; S129-M132 PolarHBondContact O-N 3.41Å; S129-Q133 WeakPolarHBondContact O-CB 3.36Å; S129-Q133 WeakPolarHBondContact O-CG 3.49Å; S129-Q133 PolarHBondContact O-N 3.06Å
130S57.7Low53.9Low49 Ų4994.2 Ų94.234%0.34358%0.578SS.*Hα-helixtrans-69.7-36.5179.170.20000112.1T127 A134T127-S130 PolarHBondContact O-N 3.07Å; T127-S130 PolarHBondContact O-OG 2.79Å; S130-A134 VanDerWaalsContact O-CB 3.31Å; S130-A134 WeakPolarHBondContact O-CB 3.39Å; S130-A134 PolarHBondContact O-N 3.19Å
131L60.2Low56.7Low108 Ų10891.5 Ų91.557%0.56555%0.551SS**Hα-helixtrans-68.5-38.5173.5-69.2173.3000112Q128 A134 R135Q128-L131 PolarHBondContact O-N 2.86Å; L131-A134 PolarHBondContact O-N 3.22Å; L131-R135 WeakPolarHBondContact O-CB 3.43Å; L131-R135 WeakPolarHBondContact O-CG 3.36Å; L131-R135 PolarHBondContact O-N 3.42Å
132M57.5Low59.2Low124 Ų12490.8 Ų90.861%0.61154%0.538SS*.Hα-helixtrans-67.8-41.9175.7-169.7173175.900111.3Q128 S129 R135 M136Q128-M132 WeakPolarHBondContact O-CB 3.08Å; Q128-M132 PolarHBondContact O-N 2.95Å; S129-M132 PolarHBondContact O-N 3.41Å; M132-R135 PolarHBondContact O-N 2.85Å; M132-M136 HydrophobicContact CG-CE 4.36Å; M132-M136 WeakPolarHBondContact O-CG 3.42Å; M132-M136 PolarHBondContact O-N 2.79Å
133Q60.8Low62Low86 Ų8691.2 Ų91.240%0.40252%0.515SS..Hα-helixtrans-62.4-43.8172.5-77.4179.2-1200112.1S129 R135 M136 R137S129-Q133 WeakPolarHBondContact O-CB 3.36Å; S129-Q133 WeakPolarHBondContact O-CG 3.49Å; S129-Q133 PolarHBondContact O-N 3.06Å; Q133-R135 VanDerWaalsContact C-N 3.33Å; Q133-R135 PolarHBondContact O-N 3.04Å; Q133-M136 HydrophobicContact CG-CE 4.25Å; Q133-M136 PolarHBondContact O-N 2.61Å; Q133-R137 VanDerWaalsContact O-CG 3.31Å; Q133-R137 WeakPolarHBondContact O-CG 3.48Å; Q133-R137 PolarHBondContact O-N 3.18Å
134A57.7Low64.7Low44 Ų4487.5 Ų87.536%0.36448%0.477SS..Hα-helixtrans-61.5-40.4175.800000112S130 L131 R137 L138S130-A134 VanDerWaalsContact O-CB 3.31Å; S130-A134 WeakPolarHBondContact O-CB 3.39Å; S130-A134 PolarHBondContact O-N 3.19Å; L131-A134 PolarHBondContact O-N 3.22Å; A134-R137 PolarHBondContact O-N 3.14Å; A134-L138 VanDerWaalsContact O-CG 3.32Å; A134-L138 WeakPolarHBondContact O-CG 3.37Å; A134-L138 PolarHBondContact O-N 3.4Å
135R62.3Low67.2Low192 Ų19284.2 Ų84.273%0.72544%0.443SS*.Hα-helixtrans-65-42.5174.8-76.8177.5178-178.8-0.4112.9L131 M132 Q133 R137 L138 S139L131-R135 WeakPolarHBondContact O-CB 3.43Å; L131-R135 WeakPolarHBondContact O-CG 3.36Å; L131-R135 PolarHBondContact O-N 3.42Å; M132-R135 PolarHBondContact O-N 2.85Å; Q133-R135 VanDerWaalsContact C-N 3.33Å; Q133-R135 PolarHBondContact O-N 3.04Å; R135-R137 VanDerWaalsContact C-N 3.31Å; R135-R137 PolarHBondContact O-N 3.14Å; R135-L138 PolarHBondContact O-N 3.5Å; R135-S139 PolarHBondContact O-N 2.9Å; R135-S139 PolarHBondContact O-OG 3.48Å
136M62.1Low69.6Low102 Ų10286.2 Ų86.250%0.50244%0.441SS..Hα-helixtrans-66.4-33.7175.7-70.6-173.5-62.700112.2M132 Q133 S139 L140M132-M136 HydrophobicContact CG-CE 4.36Å; M132-M136 WeakPolarHBondContact O-CG 3.42Å; M132-M136 PolarHBondContact O-N 2.79Å; Q133-M136 HydrophobicContact CG-CE 4.25Å; Q133-M136 PolarHBondContact O-N 2.61Å; M136-S139 WeakPolarHBondContact CA-OG 3.3Å; M136-S139 PolarHBondContact O-OG 3.17Å; M136-L140 WeakPolarHBondContact O-CB 3.42Å; M136-L140 PolarHBondContact O-N 3.4Å
137R60.1Low71.7Confident115 Ų11582.4 Ų82.443%0.43441%0.408SS..Hα-helixtrans-66.4-44.4173.2-73.5177.5-170.2-162.87.9111.7Q133 A134 R135 S139 L140 Q141 D414Q133-R137 VanDerWaalsContact O-CG 3.31Å; Q133-R137 WeakPolarHBondContact O-CG 3.48Å; Q133-R137 PolarHBondContact O-N 3.18Å; A134-R137 PolarHBondContact O-N 3.14Å; R135-R137 VanDerWaalsContact C-N 3.31Å; R135-R137 PolarHBondContact O-N 3.14Å; R137-S139 VanDerWaalsContact C-N 3.34Å; R137-S139 PolarHBondContact O-N 2.89Å; R137-L140 PolarHBondContact O-N 3.34Å; R137-Q141 WeakPolarHBondContact O-CB 3.49Å; R137-Q141 PolarHBondContact O-N 2.92Å; R137-D414 WeakPolarHBondContact CD-OD1 3.49Å; R137-D414 IonicContact CZ-OD1 3.51Å; R137-D414 VanDerWaalsContact CZ-OD1 3.29Å; R137-D414 IonicContact CZ-OD2 3.41Å; R137-D414 IonicContact NE-OD1 2.64Å; R137-D414 PolarHBondContact NE-OD1 3.32Å; R137-D414 IonicContact NH1-OD1 2.81Å; R137-D414 PolarHBondContact NH1-OD1 3.33Å; R137-D414 IonicContact NH1-OD2 3.52Å; R137-D414 PolarHBondContact NH1-OD2 3.38Å
138L63.9Low73.4Confident107 Ų10779.7 Ų79.756%0.5639%0.388SS*.Hα-helixtrans-60.9-43.4175.8-72.4162.7000111.3A134 R135 Q141 E142A134-L138 VanDerWaalsContact O-CG 3.32Å; A134-L138 WeakPolarHBondContact O-CG 3.37Å; A134-L138 PolarHBondContact O-N 3.4Å; R135-L138 PolarHBondContact O-N 3.5Å; L138-Q141 PolarHBondContact O-N 2.75Å; L138-E142 WeakPolarHBondContact O-CG 3.15Å; L138-E142 PolarHBondContact O-N 3.41Å; L138-E142 VanDerWaalsContact O-N 3.09Å
139S80.6Confident75.2Confident37 Ų3777.7 Ų77.726%0.25938%0.379SS..Hα-helixtrans-66.9-37.7176.467.20000112.9R135 M136 R137 R143R135-S139 PolarHBondContact O-N 2.9Å; R135-S139 PolarHBondContact O-OG 3.48Å; M136-S139 WeakPolarHBondContact CA-OG 3.3Å; M136-S139 PolarHBondContact O-OG 3.17Å; R137-S139 VanDerWaalsContact C-N 3.34Å; R137-S139 PolarHBondContact O-N 2.89Å; S139-R143 WeakPolarHBondContact O-CB 3.34Å; S139-R143 VanDerWaalsContact O-CG 3.26Å; S139-R143 WeakPolarHBondContact O-CG 3.31Å; S139-R143 PolarHBondContact O-N 3.46Å; S139-R143 VanDerWaalsContact O-N 3.14Å
140L86.4Confident76.7Confident6 Ų678.3 Ų78.33%0.03138%0.379CS..Hα-helixtrans-68.4-40.3176.5-17961.2000111.6M136 R137 R143 L144 A413 L417 P465 E466 L469M136-L140 WeakPolarHBondContact O-CB 3.42Å; M136-L140 PolarHBondContact O-N 3.4Å; R137-L140 PolarHBondContact O-N 3.34Å; L140-R143 PolarHBondContact O-N 2.9Å; L140-L144 HydrophobicContact CD1-CD1 4.41Å; L140-L144 HydrophobicContact CD1-CG 4.29Å; L140-L144 HydrophobicContact CG-CD1 4.05Å; L140-L144 HydrophobicContact CG-CG 4.4Å; L140-L144 WeakPolarHBondContact O-CB 3.41Å; L140-L144 WeakPolarHBondContact O-CG 3.36Å; L140-L144 PolarHBondContact O-N 3.15Å; L140-A413 HydrophobicContact CB-CB 4.36Å; L140-A413 HydrophobicContact CD2-CB 4.17Å; L140-A413 HydrophobicContact CG-CB 4.13Å; L140-L417 HydrophobicContact CD2-CD1 3.81Å; L140-L417 HydrophobicContact CD2-CD2 4.01Å; L140-L417 HydrophobicContact CD2-CG 3.86Å; L140-P465 HydrophobicContact CD1-CB 4.2Å; L140-P465 HydrophobicContact CD1-CG 4.04Å; L140-P465 HydrophobicContact CD2-CB 4.27Å; L140-P465 HydrophobicContact CD2-CG 3.89Å; L140-E466 HydrophobicContact CD1-CG 4.26Å; L140-L469 HydrophobicContact CD1-CD1 4.11Å
141Q90.2Very high78Confident26 Ų2681.2 Ų81.212%0.12138%0.383CS..Hα-helixtrans-59.3-47.9177.1-179.868.717.200111.6R137 L138 L144 W145 R409 E410 A413R137-Q141 WeakPolarHBondContact O-CB 3.49Å; R137-Q141 PolarHBondContact O-N 2.92Å; L138-Q141 PolarHBondContact O-N 2.75Å; Q141-L144 PolarHBondContact O-N 2.95Å; Q141-W145 PolarHBondContact O-N 3.28Å; Q141-W145 VanDerWaalsContact O-N 3.14Å; Q141-R409 PolarHBondContact NE2-O 3.3Å; Q141-E410 PolarHBondContact OE1-O 3.19Å; Q141-A413 HydrophobicContact CB-CB 4.01Å; Q141-A413 VanDerWaalsContact OE1-CB 3.28Å
142E88.6Confident79.5Confident138 Ų13876.1 Ų76.165%0.64536%0.356SS*.Hα-helixtrans-61-45.5176.3-71.9169.7178.600111.3L138 L144 W145 D146L138-E142 WeakPolarHBondContact O-CG 3.15Å; L138-E142 PolarHBondContact O-N 3.41Å; L138-E142 VanDerWaalsContact O-N 3.09Å; E142-L144 PolarHBondContact O-N 2.8Å; E142-W145 PolarHBondContact O-N 2.93Å; E142-D146 PolarHBondContact O-N 3.42Å
143R89.1Confident81Confident87 Ų8773 Ų7333%0.32834%0.342SS..Hα-helixtrans-67-34.9178.7-72.6-179.7-174.8-164.231.9113.8S139 L140 W145 D146 F147 E466 L469S139-R143 WeakPolarHBondContact O-CB 3.34Å; S139-R143 VanDerWaalsContact O-CG 3.26Å; S139-R143 WeakPolarHBondContact O-CG 3.31Å; S139-R143 PolarHBondContact O-N 3.46Å; S139-R143 VanDerWaalsContact O-N 3.14Å; L140-R143 PolarHBondContact O-N 2.9Å; R143-W145 VanDerWaalsContact C-N 3.32Å; R143-D146 PolarHBondContact O-N 3.04Å; R143-F147 WeakPolarHBondContact O-CB 3.46Å; R143-F147 PolarHBondContact O-N 3.46Å; R143-E466 WeakPolarHBondContact CD-OE1 3.48Å; R143-E466 IonicContact CZ-OE1 2.68Å; R143-E466 IonicContact CZ-OE2 2.97Å; R143-E466 IonicContact NE-OE1 3.68Å; R143-E466 PolarHBondContact NE-OE1 2.69Å; R143-E466 IonicContact NE-OE2 3.31Å; R143-E466 IonicContact NH1-OE1 3.03Å; R143-E466 PolarHBondContact NH1-OE1 2.73Å; R143-E466 IonicContact NH1-OE2 3.29Å; R143-E466 PolarHBondContact NH1-OE2 3.28Å; R143-E466 VanDerWaalsContact NH2-CD 3.3Å; R143-E466 IonicContact NH2-OE1 3.42Å; R143-E466 PolarHBondContact NH2-OE1 3.08Å; R143-E466 IonicContact NH2-OE2 3.03Å; R143-E466 PolarHBondContact NH2-OE2 3.31Å; R143-L469 HydrophobicContact CB-CD1 4.34Å
144L91.3Very high82.4Confident1 Ų169.6 Ų69.61%0.00533%0.326CS..Hα-helixtrans-65.1-39.8174.5-81.2169.6000111.1L140 Q141 E142 Y148 L412 A413 F416 L469L140-L144 HydrophobicContact CD1-CD1 4.41Å; L140-L144 HydrophobicContact CD1-CG 4.29Å; L140-L144 HydrophobicContact CG-CD1 4.05Å; L140-L144 HydrophobicContact CG-CG 4.4Å; L140-L144 WeakPolarHBondContact O-CB 3.41Å; L140-L144 WeakPolarHBondContact O-CG 3.36Å; L140-L144 PolarHBondContact O-N 3.15Å; Q141-L144 PolarHBondContact O-N 2.95Å; E142-L144 PolarHBondContact O-N 2.8Å; L144-Y148 VanDerWaalsContact O-CB 3.28Å; L144-Y148 WeakPolarHBondContact O-CB 3.38Å; L144-Y148 PolarHBondContact O-N 2.98Å; L144-L412 HydrophobicContact CB-CD2 4.41Å; L144-A413 HydrophobicContact CD1-CB 4.01Å; L144-F416 HydrophobicContact CD1-CB 4.01Å; L144-F416 HydrophobicContact CD1-CD1 4.26Å; L144-F416 HydrophobicContact CD1-CG 4.19Å; L144-F416 HydrophobicContact CD2-CD1 4.13Å; L144-F416 HydrophobicContact CD2-CD2 4.35Å; L144-F416 HydrophobicContact CD2-CE1 4.26Å; L144-F416 HydrophobicContact CD2-CE2 4.48Å; L144-F416 HydrophobicContact CD2-CG 4.17Å; L144-F416 HydrophobicContact CD2-CZ 4.43Å; L144-L469 HydrophobicContact CD2-CD1 3.74Å; L144-L469 HydrophobicContact CD2-CD2 3.73Å; L144-L469 HydrophobicContact CD2-CG 4.38Å; L144-L469 HydrophobicContact CG-CD1 4.02Å
145W91.5Very high84Confident71 Ų7170.9 Ų70.927%0.26933%0.331SS..Hα-helixtrans-69.3-41.1175.1-93.7127.2000112.8Q141 E142 R143 Y148 Q149 A370 L412Q141-W145 PolarHBondContact O-N 3.28Å; Q141-W145 VanDerWaalsContact O-N 3.14Å; E142-W145 PolarHBondContact O-N 2.93Å; R143-W145 VanDerWaalsContact C-N 3.32Å; W145-Y148 AromaticContact CE3-CD1 3.81Å; W145-Y148 HydrophobicContact CE3-CD1 3.81Å; W145-Y148 AromaticContact CE3-CG 3.98Å; W145-Y148 HydrophobicContact CE3-CG 3.98Å; W145-Y148 HydrophobicContact CH2-CD1 4.42Å; W145-Y148 AromaticContact CZ3-CD1 3.32Å; W145-Y148 HydrophobicContact CZ3-CD1 3.32Å; W145-Y148 HydrophobicContact CZ3-CD2 4.48Å; W145-Y148 AromaticContact CZ3-CE1 3.73Å; W145-Y148 HydrophobicContact CZ3-CE1 3.73Å; W145-Y148 AromaticContact CZ3-CG 3.73Å; W145-Y148 HydrophobicContact CZ3-CG 3.73Å; W145-Y148 WeakPolarHBondContact O-CB 3.41Å; W145-Y148 PolarHBondContact O-N 3.06Å; W145-Q149 WeakPolarHBondContact O-CG 3.1Å; W145-Q149 PolarHBondContact O-N 3.44Å; W145-A370 HydrophobicContact CH2-CB 4.23Å; W145-L412 HydrophobicContact CZ2-CD2 4.35Å
146D90.9Very high85.4Confident96 Ų9665.6 Ų65.651%0.51333%0.328SS..Hα-helixtrans-60-48.2173.5-177.856.8000111.1E142 R143 Y148 Q149 T150E142-D146 PolarHBondContact O-N 3.42Å; R143-D146 PolarHBondContact O-N 3.04Å; D146-Y148 VanDerWaalsContact C-N 3.29Å; D146-Y148 PolarHBondContact O-N 3.47Å; D146-Q149 PolarHBondContact O-N 3.42Å; D146-T150 WeakPolarHBondContact O-CB 3.46Å; D146-T150 WeakPolarHBondContact O-CG2 3.37Å; D146-T150 PolarHBondContact O-N 3.3Å; D146-T150 PolarHBondContact O-OG1 3.15Å
147F90.6Very high86.8Confident7 Ų768.6 Ų68.63%0.03134%0.341CS..Hα-helixtrans-57.1-42.7173.2176.9-108.2000111.8R143 Q149 R151 V152 A377 L381 L469 A472R143-F147 WeakPolarHBondContact O-CB 3.46Å; R143-F147 PolarHBondContact O-N 3.46Å; F147-Q149 PolarHBondContact O-N 3.1Å; F147-R151 HydrophobicContact CD2-CB 3.89Å; F147-R151 HydrophobicContact CD2-CG 4.07Å; F147-R151 HydrophobicContact CE2-CB 3.78Å; F147-R151 HydrophobicContact CE2-CG 4.17Å; F147-R151 HydrophobicContact CZ-CB 4.49Å; F147-R151 WeakPolarHBondContact O-CB 3.41Å; F147-R151 PolarHBondContact O-N 2.91Å; F147-V152 HydrophobicContact CD1-CG2 3.52Å; F147-V152 HydrophobicContact CE1-CG2 3.38Å; F147-V152 HydrophobicContact CG-CG2 4.32Å; F147-V152 HydrophobicContact CZ-CG2 4.07Å; F147-V152 PolarHBondContact O-N 3.41Å; F147-A377 HydrophobicContact CE1-CB 3.86Å; F147-A377 HydrophobicContact CZ-CB 3.75Å; F147-L381 HydrophobicContact CE2-CD1 3.79Å; F147-L381 HydrophobicContact CZ-CD1 3.84Å; F147-L469 HydrophobicContact CD1-CD2 3.77Å; F147-L469 HydrophobicContact CD2-CB 4.28Å; F147-L469 HydrophobicContact CD2-CD2 4.49Å; F147-L469 HydrophobicContact CE1-CD2 4.02Å; F147-L469 HydrophobicContact CG-CB 4.36Å; F147-L469 HydrophobicContact CG-CD2 4.02Å; F147-L469 HydrophobicContact CZ-CD2 4.5Å; F147-A472 HydrophobicContact CE2-CB 4.49Å
148Y90.4Very high88.3Confident33 Ų3363.6 Ų63.613%0.12932%0.323CS..Iπ-helixtrans-62.1-43.9178.8-171.5-87.3000112.6L144 W145 D146 V152 N153 A370 K373L144-Y148 VanDerWaalsContact O-CB 3.28Å; L144-Y148 WeakPolarHBondContact O-CB 3.38Å; L144-Y148 PolarHBondContact O-N 2.98Å; W145-Y148 AromaticContact CE3-CD1 3.81Å; W145-Y148 HydrophobicContact CE3-CD1 3.81Å; W145-Y148 AromaticContact CE3-CG 3.98Å; W145-Y148 HydrophobicContact CE3-CG 3.98Å; W145-Y148 HydrophobicContact CH2-CD1 4.42Å; W145-Y148 AromaticContact CZ3-CD1 3.32Å; W145-Y148 HydrophobicContact CZ3-CD1 3.32Å; W145-Y148 HydrophobicContact CZ3-CD2 4.48Å; W145-Y148 AromaticContact CZ3-CE1 3.73Å; W145-Y148 HydrophobicContact CZ3-CE1 3.73Å; W145-Y148 AromaticContact CZ3-CG 3.73Å; W145-Y148 HydrophobicContact CZ3-CG 3.73Å; W145-Y148 WeakPolarHBondContact O-CB 3.41Å; W145-Y148 PolarHBondContact O-N 3.06Å; D146-Y148 VanDerWaalsContact C-N 3.29Å; D146-Y148 PolarHBondContact O-N 3.47Å; Y148-V152 HydrophobicContact CD2-CB 3.94Å; Y148-V152 HydrophobicContact CD2-CG1 3.78Å; Y148-V152 HydrophobicContact CD2-CG2 4.23Å; Y148-V152 HydrophobicContact CE2-CB 4.45Å; Y148-V152 HydrophobicContact CE2-CG1 3.88Å; Y148-V152 HydrophobicContact CG-CB 4.23Å; Y148-V152 WeakPolarHBondContact O-CB 3.28Å; Y148-V152 PolarHBondContact O-N 2.93Å; Y148-N153 VanDerWaalsContact CD1-ND2 3.34Å; Y148-N153 WeakPolarHBondContact CD1-ND2 3.22Å; Y148-N153 VanDerWaalsContact CE1-CG 3.48Å; Y148-N153 WeakPolarHBondContact CE1-ND2 3.34Å; Y148-N153 WeakPolarHBondContact CE1-OD1 3.33Å; Y148-N153 VanDerWaalsContact CZ-OD1 3.29Å; Y148-N153 PolarHBondContact O-N 3.28Å; Y148-N153 PolarHBondContact O-ND2 2.7Å; Y148-N153 PolarHBondContact OH-OD1 3.11Å; Y148-A370 HydrophobicContact CE2-CB 4.16Å; Y148-K373 HydrophobicContact CE2-CB 3.81Å; Y148-K373 HydrophobicContact CE2-CD 4.25Å; Y148-K373 PolarHBondContact OH-NZ 3.08Å
149Q90.1Very high89.6Confident132 Ų13260.2 Ų60.262%0.61730%0.304SS*.Iπ-helixtrans-72.5-39.5-179.4-69.3177.315.200112.4W145 D146 F147W145-Q149 WeakPolarHBondContact O-CG 3.1Å; W145-Q149 PolarHBondContact O-N 3.44Å; D146-Q149 PolarHBondContact O-N 3.42Å; F147-Q149 PolarHBondContact O-N 3.1Å
150T88.6Confident90.2Very high83 Ų8361.2 Ų61.251%0.50932%0.315SS..Iπ-helixtrans-87.9-33.7-172.356.60000114D146D146-T150 WeakPolarHBondContact O-CB 3.46Å; D146-T150 WeakPolarHBondContact O-CG2 3.37Å; D146-T150 PolarHBondContact O-N 3.3Å; D146-T150 PolarHBondContact O-OG1 3.15Å
151R86Confident90.5Very high111 Ų11163.3 Ų63.342%0.41933%0.327SS..Iπ-helixtrans-125.3-28.8-169.7-61.4-62.6-170.7154.66.5114.6F147 V202 A472F147-R151 HydrophobicContact CD2-CB 3.89Å; F147-R151 HydrophobicContact CD2-CG 4.07Å; F147-R151 HydrophobicContact CE2-CB 3.78Å; F147-R151 HydrophobicContact CE2-CG 4.17Å; F147-R151 HydrophobicContact CZ-CB 4.49Å; F147-R151 WeakPolarHBondContact O-CB 3.41Å; F147-R151 PolarHBondContact O-N 2.91Å; R151-V202 WeakPolarHBondContact O-CA 3.32Å; R151-A472 PolarHBondContact NH2-O 3.02Å
152V89.9Confident90.6Very high0 Ų062 Ų620%032%0.322CS..Iπ-helixtrans-85-46.1-175-177.20000111.3F147 Y148 V201 V202 K373 A377F147-V152 HydrophobicContact CD1-CG2 3.52Å; F147-V152 HydrophobicContact CE1-CG2 3.38Å; F147-V152 HydrophobicContact CG-CG2 4.32Å; F147-V152 HydrophobicContact CZ-CG2 4.07Å; F147-V152 PolarHBondContact O-N 3.41Å; Y148-V152 HydrophobicContact CD2-CB 3.94Å; Y148-V152 HydrophobicContact CD2-CG1 3.78Å; Y148-V152 HydrophobicContact CD2-CG2 4.23Å; Y148-V152 HydrophobicContact CE2-CB 4.45Å; Y148-V152 HydrophobicContact CE2-CG1 3.88Å; Y148-V152 HydrophobicContact CG-CB 4.23Å; Y148-V152 WeakPolarHBondContact O-CB 3.28Å; Y148-V152 PolarHBondContact O-N 2.93Å; V152-V201 HydrophobicContact CG1-CB 4.2Å; V152-V201 HydrophobicContact CG1-CG1 3.74Å; V152-V201 WeakPolarHBondContact O-CA 3.29Å; V152-V202 PolarHBondContact O-N 3.02Å; V152-K373 HydrophobicContact CG1-CB 3.59Å; V152-K373 WeakPolarHBondContact CG1-O 3.44Å; V152-A377 HydrophobicContact CB-CB 4.25Å; V152-A377 HydrophobicContact CG1-CB 4.2Å; V152-A377 HydrophobicContact CG2-CB 3.61Å
153N89.8Confident90.8Very high58 Ų5858.7 Ų58.731%0.3130%0.303SS..SBendtrans-72.9131.9-177.9-74.8-27.4000111.8Y148 K373Y148-N153 VanDerWaalsContact CD1-ND2 3.34Å; Y148-N153 WeakPolarHBondContact CD1-ND2 3.22Å; Y148-N153 VanDerWaalsContact CE1-CG 3.48Å; Y148-N153 WeakPolarHBondContact CE1-ND2 3.34Å; Y148-N153 WeakPolarHBondContact CE1-OD1 3.33Å; Y148-N153 VanDerWaalsContact CZ-OD1 3.29Å; Y148-N153 PolarHBondContact O-N 3.28Å; Y148-N153 PolarHBondContact O-ND2 2.7Å; Y148-N153 PolarHBondContact OH-OD1 3.11Å; N153-K373 PolarHBondContact OD1-NZ 3.29Å
154I90.7Very high91Very high16 Ų1662.7 Ų62.78%0.08232%0.318CS..PPolyproline II helixtrans-86136.6170.8-59.2167.2000107A156 E158 Q159 Q200 T203 A204I154-A156 PolarHBondContact O-N 3.08Å; I154-E158 HydrophobicContact CG2-CB 3.95Å; I154-E158 HydrophobicContact CG2-CG 3.84Å; I154-Q159 HydrophobicContact CG2-CB 4.19Å; I154-Q200 HydrophobicContact CD1-CB 3.77Å; I154-Q200 HydrophobicContact CD1-CG 3.77Å; I154-T203 VanDerWaalsContact CD1-C 3.47Å; I154-A204 HydrophobicContact CD1-CB 4.43Å; I154-A204 HydrophobicContact CG2-CB 4.29Å
155P91.6Very high91.1Very high71 Ų7162.6 Ų62.646%0.46132%0.318SS..PPolyproline II helixtrans-52.2135.6172-25.734.3000111.3E157 E158 Q159P155-E157 PolarHBondContact O-N 3.44Å; P155-E158 HydrophobicContact CB-CB 4.22Å; P155-E158 WeakPolarHBondContact O-CB 3.21Å; P155-E158 PolarHBondContact O-N 2.98Å; P155-E158 VanDerWaalsContact O-N 3.11Å; P155-Q159 PolarHBondContact O-N 3.35Å
156A90.4Very high91.2Very high81 Ų8159.2 Ų59.267%0.66931%0.305SS*.Hα-helixtrans-59.4-34.2-175.800000112.6I154 A160I154-A156 PolarHBondContact O-N 3.08Å; A156-A160 VanDerWaalsContact O-CB 3.3Å; A156-A160 WeakPolarHBondContact O-CB 3.46Å; A156-A160 PolarHBondContact O-N 2.79Å
157E91.6Very high91.3Very high165 Ų16558.6 Ų58.677%0.77130%0.301SS*.Hα-helixtrans-64.8-48.8175.4-64-176.517200111.7P155 Q159 A160 T161P155-E157 PolarHBondContact O-N 3.44Å; E157-Q159 VanDerWaalsContact C-N 3.31Å; E157-Q159 PolarHBondContact O-N 3.04Å; E157-A160 PolarHBondContact O-N 3.31Å; E157-T161 PolarHBondContact O-N 3.47Å; E157-T161 PolarHBondContact O-OG1 3.34Å; E157-T161 VanDerWaalsContact O-OG1 3.05Å
158E91.8Very high91.4Very high10 Ų1060.6 Ų60.65%0.04731%0.312CS..Hα-helixtrans-56.9-47175.8177.1-179.8158.300110.9I154 P155 A160 T161 A162 T203 A204 R311I154-E158 HydrophobicContact CG2-CB 3.95Å; I154-E158 HydrophobicContact CG2-CG 3.84Å; P155-E158 HydrophobicContact CB-CB 4.22Å; P155-E158 WeakPolarHBondContact O-CB 3.21Å; P155-E158 PolarHBondContact O-N 2.98Å; P155-E158 VanDerWaalsContact O-N 3.11Å; E158-A160 VanDerWaalsContact C-N 3.34Å; E158-A160 PolarHBondContact O-N 3.15Å; E158-T161 PolarHBondContact O-N 3.36Å; E158-A162 WeakPolarHBondContact O-CB 3.31Å; E158-A162 PolarHBondContact O-N 3.28Å; E158-T203 WeakPolarHBondContact OE1-CA 3.31Å; E158-T203 PolarHBondContact OE1-OG1 3.08Å; E158-A204 HydrophobicContact CG-CB 4.06Å; E158-A204 PolarHBondContact OE1-N 3.38Å; E158-R311 VanDerWaalsContact CB-NH1 3.34Å; E158-R311 VanDerWaalsContact CD-CZ 3.5Å; E158-R311 IonicContact OE2-CZ 2.97Å; E158-R311 IonicContact OE2-NE 3.98Å; E158-R311 IonicContact OE2-NH1 2.59Å; E158-R311 IonicContact OE2-NH2 2.88Å; E158-R311 PolarHBondContact OE2-NH2 3.48Å
159Q91.6Very high91.4Very high36 Ų3659 Ų5917%0.16831%0.306CS..Hα-helixtrans-64.2-40.3-178.8-162.2-172.5-8.100111.9I154 P155 E157 R163 L195 D198I154-Q159 HydrophobicContact CG2-CB 4.19Å; P155-Q159 PolarHBondContact O-N 3.35Å; E157-Q159 VanDerWaalsContact C-N 3.31Å; E157-Q159 PolarHBondContact O-N 3.04Å; Q159-R163 WeakPolarHBondContact O-CB 3.39Å; Q159-R163 PolarHBondContact O-N 3.03Å; Q159-L195 HydrophobicContact CG-CD1 3.67Å; Q159-L195 PolarHBondContact NE2-O 3.18Å; Q159-D198 PolarHBondContact NE2-OD1 3.43Å
160A92.3Very high91.5Very high58 Ų5853.2 Ų53.248%0.47928%0.28SS..Hα-helixtrans-66.2-44177.400000111.8A156 E157 E158 R163 R164A156-A160 VanDerWaalsContact O-CB 3.3Å; A156-A160 WeakPolarHBondContact O-CB 3.46Å; A156-A160 PolarHBondContact O-N 2.79Å; E157-A160 PolarHBondContact O-N 3.31Å; E158-A160 VanDerWaalsContact C-N 3.34Å; E158-A160 PolarHBondContact O-N 3.15Å; A160-R163 PolarHBondContact O-N 3.26Å; A160-R164 WeakPolarHBondContact O-CB 3.44Å; A160-R164 PolarHBondContact O-N 2.94Å
161T93.1Very high91.5Very high49 Ų4950.7 Ų50.730%0.30127%0.267SS..Hα-helixtrans-63.9-47.9177.5-56.60000111.4E157 E158 R163 R164 A165 Y307E157-T161 PolarHBondContact O-N 3.47Å; E157-T161 PolarHBondContact O-OG1 3.34Å; E157-T161 VanDerWaalsContact O-OG1 3.05Å; E158-T161 PolarHBondContact O-N 3.36Å; T161-R163 VanDerWaalsContact C-N 3.34Å; T161-R163 PolarHBondContact O-N 3.49Å; T161-R164 WeakPolarHBondContact O-CB 3.48Å; T161-R164 PolarHBondContact O-N 3.1Å; T161-A165 PolarHBondContact O-N 3.44Å; T161-Y307 HydrophobicContact CG2-CD2 3.75Å; T161-Y307 HydrophobicContact CG2-CE2 4.23Å
162A92.8Very high91.7Very high0 Ų048.8 Ų48.80%026%0.263CS..Hα-helixtrans-62.5-40.9177.700000112.1E158 R164 A165 A166 L195 A204 Y307 L313E158-A162 WeakPolarHBondContact O-CB 3.31Å; E158-A162 PolarHBondContact O-N 3.28Å; A162-R164 VanDerWaalsContact C-N 3.33Å; A162-R164 PolarHBondContact O-N 2.82Å; A162-A165 PolarHBondContact O-N 3.18Å; A162-A166 PolarHBondContact O-N 2.88Å; A162-A166 VanDerWaalsContact O-N 3.09Å; A162-L195 HydrophobicContact CB-CD1 4.37Å; A162-L195 HydrophobicContact CB-CD2 4.12Å; A162-A204 HydrophobicContact CB-CB 3.5Å; A162-A204 VanDerWaalsContact CB-CB 3.5Å; A162-Y307 HydrophobicContact CB-CE1 4.3Å; A162-L313 WeakPolarHBondContact O-CD2 3.12Å
163R93.1Very high91.6Very high68 Ų6848.9 Ų48.926%0.25726%0.264SS..Hα-helixtrans-62.2-42174.9-179.2179.6-66.6173.30.6111.3Q159 A160 T161 A166 L167 L191 L195 Y196 D198Q159-R163 WeakPolarHBondContact O-CB 3.39Å; Q159-R163 PolarHBondContact O-N 3.03Å; A160-R163 PolarHBondContact O-N 3.26Å; T161-R163 VanDerWaalsContact C-N 3.34Å; T161-R163 PolarHBondContact O-N 3.49Å; R163-A166 PolarHBondContact O-N 3.37Å; R163-L167 HydrophobicContact CG-CD1 4.25Å; R163-L167 WeakPolarHBondContact O-CG 3.45Å; R163-L167 PolarHBondContact O-N 3.37Å; R163-L167 VanDerWaalsContact O-N 3.1Å; R163-L191 HydrophobicContact CG-CD2 4.09Å; R163-L195 PolarHBondContact NH2-O 3.39Å; R163-Y196 PolarHBondContact NH2-O 3.02Å; R163-D198 IonicContact CZ-OD1 3.72Å; R163-D198 IonicContact NH2-OD1 3.57Å; R163-D198 PolarHBondContact NH2-OD1 3.2Å
164R93.4Very high91.4Very high170 Ų17050.6 Ų50.664%0.64227%0.266SS*.Hα-helixtrans-62.9-48.6177.4-171.8172.1-159.8152.85.8111.5A160 T161 A162 A166 L167 D168A160-R164 WeakPolarHBondContact O-CB 3.44Å; A160-R164 PolarHBondContact O-N 2.94Å; T161-R164 WeakPolarHBondContact O-CB 3.48Å; T161-R164 PolarHBondContact O-N 3.1Å; A162-R164 VanDerWaalsContact C-N 3.33Å; A162-R164 PolarHBondContact O-N 2.82Å; R164-A166 VanDerWaalsContact C-N 3.28Å; R164-A166 PolarHBondContact O-N 2.91Å; R164-L167 PolarHBondContact O-N 3.44Å; R164-D168 VanDerWaalsContact O-CG 3.31Å; R164-D168 PolarHBondContact O-N 3.44Å
165A93.2Very high91.3Very high0 Ų054 Ų540%029%0.287CS..Hα-helixtrans-56.2-42.3176.900000112.2T161 A162 L167 D168 I169 Y290 L313T161-A165 PolarHBondContact O-N 3.44Å; A162-A165 PolarHBondContact O-N 3.18Å; A165-L167 PolarHBondContact O-N 3.43Å; A165-D168 PolarHBondContact O-N 2.97Å; A165-I169 VanDerWaalsContact O-CG1 3.3Å; A165-I169 WeakPolarHBondContact O-CG1 3.44Å; A165-I169 PolarHBondContact O-N 2.84Å; A165-I169 VanDerWaalsContact O-N 3.09Å; A165-Y290 HydrophobicContact CB-CD2 4.48Å; A165-Y290 HydrophobicContact CB-CE1 4.41Å; A165-Y290 HydrophobicContact CB-CE2 3.81Å; A165-L313 HydrophobicContact CB-CD2 4.45Å
166A93.3Very high91.1Very high0 Ų052.4 Ų52.40%027%0.273CS..Hα-helixtrans-63.7-38.6175.600000113.2A162 R163 R164 C170 L191 A207 L313A162-A166 PolarHBondContact O-N 2.88Å; A162-A166 VanDerWaalsContact O-N 3.09Å; R163-A166 PolarHBondContact O-N 3.37Å; R164-A166 VanDerWaalsContact C-N 3.28Å; R164-A166 PolarHBondContact O-N 2.91Å; A166-C170 WeakPolarHBondContact O-CB 3.37Å; A166-C170 PolarHBondContact O-N 2.92Å; A166-L191 HydrophobicContact CB-CD1 3.81Å; A166-L191 HydrophobicContact CB-CD2 4.15Å; A166-A207 HydrophobicContact CB-CB 4.16Å; A166-L313 HydrophobicContact CB-CD2 4.13Å
167L92.9Very high90.8Very high82 Ų8248.9 Ų48.943%0.42924%0.243SC..Hα-helixtrans-71.7-39.1178.2-71.6172.4000112.4R163 R164 A165 C170 A171 L191R163-L167 HydrophobicContact CG-CD1 4.25Å; R163-L167 WeakPolarHBondContact O-CG 3.45Å; R163-L167 PolarHBondContact O-N 3.37Å; R163-L167 VanDerWaalsContact O-N 3.1Å; R164-L167 PolarHBondContact O-N 3.44Å; A165-L167 PolarHBondContact O-N 3.43Å; L167-C170 VanDerWaalsContact O-CB 3.32Å; L167-C170 WeakPolarHBondContact O-CB 3.29Å; L167-C170 PolarHBondContact O-N 2.91Å; L167-A171 PolarHBondContact O-N 2.79Å; L167-L191 HydrophobicContact CD2-CB 4.19Å; L167-L191 HydrophobicContact CD2-CD2 4.42Å; L167-L191 HydrophobicContact CG-CD2 4.46Å
168D92.8Very high90.5Very high49 Ų4946.1 Ų46.126%0.26223%0.23SC..Hα-helixtrans-64.9-42.9177.8-66.2-20.5000110.3R164 A165 C170 A171 E172 L288 Y290R164-D168 VanDerWaalsContact O-CG 3.31Å; R164-D168 PolarHBondContact O-N 3.44Å; A165-D168 PolarHBondContact O-N 2.97Å; D168-C170 PolarHBondContact O-N 3.09Å; D168-A171 PolarHBondContact O-N 2.7Å; D168-E172 PolarHBondContact O-N 3.29Å; D168-L288 HydrophobicContact CB-CD1 4.12Å; D168-L288 HydrophobicContact CB-CD2 4.1Å; D168-Y290 HydrophobicContact CB-CE2 4.43Å
169I90.9Very high90.3Very high1 Ų149.4 Ų49.41%0.00526%0.259CS..Hα-helixtrans-62.8-42.1173.4-69.6169.2000111.7A165 A171 E172 L173 L288 I292 L303 V305A165-I169 VanDerWaalsContact O-CG1 3.3Å; A165-I169 WeakPolarHBondContact O-CG1 3.44Å; A165-I169 PolarHBondContact O-N 2.84Å; A165-I169 VanDerWaalsContact O-N 3.09Å; I169-A171 VanDerWaalsContact C-N 3.28Å; I169-A171 PolarHBondContact O-N 2.83Å; I169-E172 PolarHBondContact O-N 2.96Å; I169-L173 HydrophobicContact CG2-CD1 3.83Å; I169-L173 HydrophobicContact CG2-CG 4.47Å; I169-L173 VanDerWaalsContact O-CB 3.29Å; I169-L173 WeakPolarHBondContact O-CB 3.44Å; I169-L173 WeakPolarHBondContact O-CG 2.92Å; I169-L173 PolarHBondContact O-N 3.19Å; I169-L288 HydrophobicContact CG1-CD1 4.33Å; I169-I292 HydrophobicContact CD1-CD1 4.19Å; I169-I292 HydrophobicContact CD1-CG1 4.5Å; I169-I292 HydrophobicContact CG1-CD1 4.1Å; I169-L303 HydrophobicContact CG2-CD1 4.24Å; I169-V305 HydrophobicContact CD1-CB 4.04Å; I169-V305 HydrophobicContact CD1-CG1 3.64Å; I169-V305 HydrophobicContact CD1-CG2 3.21Å
170C90.9Very high90Very high9 Ų953.9 Ų53.96%0.06128%0.277CS..Hα-helixtrans-57-44.1174.4-179.30000111.5A166 L167 D168 R174 L209A166-C170 WeakPolarHBondContact O-CB 3.37Å; A166-C170 PolarHBondContact O-N 2.92Å; L167-C170 VanDerWaalsContact O-CB 3.32Å; L167-C170 WeakPolarHBondContact O-CB 3.29Å; L167-C170 PolarHBondContact O-N 2.91Å; D168-C170 PolarHBondContact O-N 3.09Å; C170-R174 VanDerWaalsContact O-CB 3.3Å; C170-R174 WeakPolarHBondContact O-CB 3.45Å; C170-R174 PolarHBondContact O-N 2.79Å; C170-L209 HydrophobicContact CB-CD1 3.5Å; C170-L209 HydrophobicContact CB-CD2 4.37Å
171A90.4Very high89.6Confident30 Ų3053 Ų5325%0.24827%0.265CS..Hα-helixtrans-64.8-47.5-178.900000112.1L167 D168 I169 R174 V175L167-A171 PolarHBondContact O-N 2.79Å; D168-A171 PolarHBondContact O-N 2.7Å; I169-A171 VanDerWaalsContact C-N 3.28Å; I169-A171 PolarHBondContact O-N 2.83Å; A171-R174 PolarHBondContact O-N 2.77Å; A171-V175 WeakPolarHBondContact O-CG2 3.44Å; A171-V175 PolarHBondContact O-N 3.37Å
172E89.3Confident89.3Confident71 Ų7155.3 Ų55.333%0.33228%0.281SS..Hα-helixtrans-64.1-42.2178.6-71.1-58.2138.200112.1D168 I169 R174 V175 F176 I284 L288D168-E172 PolarHBondContact O-N 3.29Å; I169-E172 PolarHBondContact O-N 2.96Å; E172-R174 VanDerWaalsContact C-N 3.34Å; E172-R174 PolarHBondContact O-N 2.86Å; E172-V175 PolarHBondContact O-N 2.98Å; E172-F176 PolarHBondContact O-N 3.2Å; E172-I284 HydrophobicContact CB-CD1 4.5Å; E172-I284 HydrophobicContact CB-CG2 4.07Å; E172-I284 HydrophobicContact CG-CG2 4.07Å; E172-L288 HydrophobicContact CG-CD1 4.1Å; E172-L288 HydrophobicContact CG-CD2 4.44Å
173L86.9Confident89.1Confident2 Ų261.7 Ų61.71%0.0132%0.315CS..Hα-helixtrans-63.7-40.6177.7-89173.6000113.4I169 V175 F176 L177 I279 W281 L303 F317I169-L173 HydrophobicContact CG2-CD1 3.83Å; I169-L173 HydrophobicContact CG2-CG 4.47Å; I169-L173 VanDerWaalsContact O-CB 3.29Å; I169-L173 WeakPolarHBondContact O-CB 3.44Å; I169-L173 WeakPolarHBondContact O-CG 2.92Å; I169-L173 PolarHBondContact O-N 3.19Å; L173-V175 VanDerWaalsContact C-N 3.33Å; L173-V175 PolarHBondContact O-N 2.95Å; L173-F176 PolarHBondContact O-N 3.37Å; L173-L177 WeakPolarHBondContact O-CB 3.47Å; L173-L177 WeakPolarHBondContact O-CG 3.45Å; L173-L177 PolarHBondContact O-N 2.86Å; L173-I279 HydrophobicContact CD2-CD1 3.28Å; L173-W281 HydrophobicContact CD1-CH2 3.99Å; L173-W281 HydrophobicContact CD2-CH2 3.64Å; L173-W281 HydrophobicContact CD2-CZ2 4.38Å; L173-W281 HydrophobicContact CD2-CZ3 4.42Å; L173-W281 HydrophobicContact CG-CH2 3.95Å; L173-W281 HydrophobicContact CG-CZ3 4.4Å; L173-L303 HydrophobicContact CD1-CD1 4.44Å; L173-F317 HydrophobicContact CD1-CD1 4.24Å; L173-F317 HydrophobicContact CD1-CE1 3.09Å; L173-F317 HydrophobicContact CD1-CZ 3.28Å
174R86.6Confident88.9Confident94 Ų9459.1 Ų59.136%0.35531%0.305SS..Hα-helixtrans-59.4-46.2175.3174.3176.949.5105.88.6110.7C170 A171 E172 L177 H178C170-R174 VanDerWaalsContact O-CB 3.3Å; C170-R174 WeakPolarHBondContact O-CB 3.45Å; C170-R174 PolarHBondContact O-N 2.79Å; A171-R174 PolarHBondContact O-N 2.77Å; E172-R174 VanDerWaalsContact C-N 3.34Å; E172-R174 PolarHBondContact O-N 2.86Å; R174-L177 PolarHBondContact O-N 2.7Å; R174-H178 PolarHBondContact O-N 3.31Å; R174-H178 VanDerWaalsContact O-N 3.11Å; R174-H178 PolarHBondContact O-ND1 3.1Å
175V87.9Confident88.9Confident88 Ų8852.7 Ų52.753%0.53329%0.286SS..Hα-helixtrans-61.8-46.1177.6174.10000110.6A171 E172 L173 L177 A179A171-V175 WeakPolarHBondContact O-CG2 3.44Å; A171-V175 PolarHBondContact O-N 3.37Å; E172-V175 PolarHBondContact O-N 2.98Å; L173-V175 VanDerWaalsContact C-N 3.33Å; L173-V175 PolarHBondContact O-N 2.95Å; V175-L177 PolarHBondContact O-N 2.94Å; V175-A179 WeakPolarHBondContact O-CB 3.35Å; V175-A179 PolarHBondContact O-N 3.3Å
176F86.9Confident88.8Confident37 Ų3754 Ų5416%0.16229%0.293CS..Hα-helixtrans-61.4-46.9179.5-179.4-90.4000112.6E172 L173 A179 K180 S278 I279E172-F176 PolarHBondContact O-N 3.2Å; L173-F176 PolarHBondContact O-N 3.37Å; F176-A179 PolarHBondContact O-N 3.36Å; F176-K180 HydrophobicContact CD1-CG 4.11Å; F176-K180 HydrophobicContact CD2-CG 4.22Å; F176-K180 HydrophobicContact CE1-CB 4.24Å; F176-K180 HydrophobicContact CE1-CG 3.64Å; F176-K180 HydrophobicContact CE2-CD 4.39Å; F176-K180 HydrophobicContact CE2-CG 3.79Å; F176-K180 HydrophobicContact CG-CG 4.38Å; F176-K180 HydrophobicContact CZ-CD 4.22Å; F176-K180 HydrophobicContact CZ-CG 3.48Å; F176-K180 VanDerWaalsContact CZ-CG 3.48Å; F176-K180 WeakPolarHBondContact O-CB 3.21Å; F176-K180 WeakPolarHBondContact O-CG 3.31Å; F176-K180 PolarHBondContact O-N 2.91Å; F176-S278 WeakPolarHBondContact CZ-O 3.27Å; F176-I279 HydrophobicContact CD1-CD1 3.68Å; F176-I279 HydrophobicContact CD1-CG1 3.5Å; F176-I279 HydrophobicContact CD2-CG1 4.18Å; F176-I279 HydrophobicContact CE1-CD1 3.81Å; F176-I279 HydrophobicContact CE1-CG1 3.19Å; F176-I279 HydrophobicContact CE2-CG1 3.91Å; F176-I279 HydrophobicContact CG-CD1 4.26Å; F176-I279 HydrophobicContact CG-CG1 3.98Å; F176-I279 HydrophobicContact CZ-CB 4.32Å; F176-I279 HydrophobicContact CZ-CD1 4.45Å; F176-I279 HydrophobicContact CZ-CG1 3.4Å
177L85.3Confident88.7Confident7 Ų761.6 Ų61.64%0.03732%0.321CS..Hα-helixtrans-67.2-39.5-177.1-73.8168.7000111.9L173 R174 V175 A179 K180 L181 L186 M189 L274L173-L177 WeakPolarHBondContact O-CB 3.47Å; L173-L177 WeakPolarHBondContact O-CG 3.45Å; L173-L177 PolarHBondContact O-N 2.86Å; R174-L177 PolarHBondContact O-N 2.7Å; V175-L177 PolarHBondContact O-N 2.94Å; L177-A179 VanDerWaalsContact C-N 3.31Å; L177-A179 PolarHBondContact O-N 3.36Å; L177-K180 PolarHBondContact O-N 3.49Å; L177-L181 CarbonylContact O-C 3.11Å; L177-L181 PolarHBondContact O-N 3.39Å; L177-L186 HydrophobicContact CD1-CD1 4.5Å; L177-M189 HydrophobicContact CD1-CE 3.11Å; L177-M189 HydrophobicContact CD1-SD 4.2Å; L177-M189 HydrophobicContact CG-CE 4.44Å; L177-L274 HydrophobicContact CD2-CD1 4.32Å
178H84.7Confident88.5Confident108 Ų10864.6 Ų64.650%0.533%0.333SS..Hα-helixtrans-63.8-36.6173.3-77.277.8000112.2R174R174-H178 PolarHBondContact O-N 3.31Å; R174-H178 VanDerWaalsContact O-N 3.11Å; R174-H178 PolarHBondContact O-ND1 3.1Å
179A87.5Confident88.5Confident79 Ų7963 Ų6365%0.65333%0.325SS*.Hα-helixtrans-74.6-36.7179.400000113.2V175 F176 L177V175-A179 WeakPolarHBondContact O-CB 3.35Å; V175-A179 PolarHBondContact O-N 3.3Å; F176-A179 PolarHBondContact O-N 3.36Å; L177-A179 VanDerWaalsContact C-N 3.31Å; L177-A179 PolarHBondContact O-N 3.36Å
180K85.9Confident88.5Confident129 Ų12967.9 Ų67.956%0.56134%0.343SS*.Hα-helixtrans-87.6-33.6-176.6-71.5-64.4-173.2177.90113.9F176 L177F176-K180 HydrophobicContact CD1-CG 4.11Å; F176-K180 HydrophobicContact CD2-CG 4.22Å; F176-K180 HydrophobicContact CE1-CB 4.24Å; F176-K180 HydrophobicContact CE1-CG 3.64Å; F176-K180 HydrophobicContact CE2-CD 4.39Å; F176-K180 HydrophobicContact CE2-CG 3.79Å; F176-K180 HydrophobicContact CG-CG 4.38Å; F176-K180 HydrophobicContact CZ-CD 4.22Å; F176-K180 HydrophobicContact CZ-CG 3.48Å; F176-K180 VanDerWaalsContact CZ-CG 3.48Å; F176-K180 WeakPolarHBondContact O-CB 3.21Å; F176-K180 WeakPolarHBondContact O-CG 3.31Å; F176-K180 PolarHBondContact O-N 2.91Å; L177-K180 PolarHBondContact O-N 3.49Å
181L84.3Confident88.6Confident41 Ų4167.7 Ų67.722%0.21534%0.342CS..  trans-133.268.8-176-65.1176.3000110.3L177 D183 M184 L274L177-L181 CarbonylContact O-C 3.11Å; L177-L181 PolarHBondContact O-N 3.39Å; L181-D183 PolarHBondContact O-N 2.91Å; L181-M184 HydrophobicContact CB-CB 3.79Å; L181-M184 HydrophobicContact CB-SD 4.47Å; L181-M184 HydrophobicContact CD1-CE 4.38Å; L181-M184 HydrophobicContact CD1-SD 3.75Å; L181-M184 WeakPolarHBondContact O-CB 3.43Å; L181-M184 PolarHBondContact O-N 3.4Å; L181-M184 VanDerWaalsContact O-N 3.08Å; L181-L274 HydrophobicContact CD1-CD1 3.31Å; L181-L274 HydrophobicContact CD1-CD2 3.67Å; L181-L274 HydrophobicContact CD1-CG 4.12Å; L181-L274 HydrophobicContact CG-CD2 4.3Å
182P85.9Confident88.6Confident97 Ų9766.7 Ų66.763%0.6333%0.333SS*.THydrogen-bonded Turntrans-62.3-27.8-179.927-35.4000112.4M184P182-M184 VanDerWaalsContact C-N 3.31Å
183D88.4Confident88.6Confident134 Ų13463.3 Ų63.372%0.71732%0.317SS*.THydrogen-bonded Turntrans-81.6-8179.6-56.5-31.7000113.3L181 P185 Y252L181-D183 PolarHBondContact O-N 2.91Å; D183-P185 WeakPolarHBondContact O-CD 3.46Å; D183-Y252 HydrophobicContact CB-CD2 4.48Å; D183-Y252 VanDerWaalsContact O-CD2 3.29Å; D183-Y252 WeakPolarHBondContact O-CD2 3.39Å
184M90.4Very high88.7Confident13 Ų1364 Ų646%0.06432%0.322CS..SBendtrans-78118.5-178.9-170.4-179.1-14000109.8L181 P182 L186 Y252 W253 V270 F271 L274L181-M184 HydrophobicContact CB-CB 3.79Å; L181-M184 HydrophobicContact CB-SD 4.47Å; L181-M184 HydrophobicContact CD1-CE 4.38Å; L181-M184 HydrophobicContact CD1-SD 3.75Å; L181-M184 WeakPolarHBondContact O-CB 3.43Å; L181-M184 PolarHBondContact O-N 3.4Å; L181-M184 VanDerWaalsContact O-N 3.08Å; P182-M184 VanDerWaalsContact C-N 3.31Å; M184-L186 HydrophobicContact CB-CG 4.41Å; M184-L186 HydrophobicContact CG-CD1 4.12Å; M184-L186 HydrophobicContact CG-CD2 4.02Å; M184-L186 HydrophobicContact CG-CG 3.78Å; M184-L186 PolarHBondContact O-N 2.89Å; M184-L186 HydrophobicContact SD-CD1 3.66Å; M184-L186 HydrophobicContact SD-CD2 4.08Å; M184-L186 HydrophobicContact SD-CG 3.95Å; M184-Y252 HydrophobicContact CB-CE1 4.16Å; M184-Y252 HydrophobicContact CB-CE2 4.02Å; M184-Y252 HydrophobicContact CE-CE1 4.06Å; M184-Y252 HydrophobicContact CG-CD1 4.36Å; M184-Y252 HydrophobicContact CG-CE1 3.64Å; M184-Y252 HydrophobicContact CG-CE2 4.41Å; M184-W253 HydrophobicContact CE-CH2 3.88Å; M184-W253 HydrophobicContact CE-CZ3 4.06Å; M184-W253 HydrophobicContact CG-CH2 4.11Å; M184-V270 HydrophobicContact CE-CG1 4.25Å; M184-F271 HydrophobicContact CE-CE1 3.93Å; M184-F271 HydrophobicContact CE-CE2 4.01Å; M184-F271 HydrophobicContact CE-CZ 3.6Å; M184-F271 HydrophobicContact SD-CE1 4.29Å; M184-F271 HydrophobicContact SD-CZ 4.26Å; M184-L274 HydrophobicContact CE-CD1 4.5Å
185P92.1Very high88.9Confident35 Ų3559.5 Ų59.523%0.22731%0.305CS..  trans-80.686.8-173.534.8-36.7000110.1D183 V214 Y252 W253D183-P185 WeakPolarHBondContact O-CD 3.46Å; P185-V214 HydrophobicContact CB-CB 4.14Å; P185-V214 PolarHBondContact O-N 3.37Å; P185-Y252 VanDerWaalsContact CD-CG 3.47Å; P185-Y252 HydrophobicContact CG-CD1 4.4Å; P185-Y252 HydrophobicContact CG-CG 4.3Å; P185-W253 HydrophobicContact CG-CZ2 3.83Å
186L91.2Very high88.9Confident28 Ų2861.3 Ų61.315%0.14730%0.303CS..BIsolated β-bridgetrans-112.4147.5178.1-58.5179.6000110.9L177 M184 M189 V211 L213 W253 F271L177-L186 HydrophobicContact CD1-CD1 4.5Å; M184-L186 HydrophobicContact CB-CG 4.41Å; M184-L186 HydrophobicContact CG-CD1 4.12Å; M184-L186 HydrophobicContact CG-CD2 4.02Å; M184-L186 HydrophobicContact CG-CG 3.78Å; M184-L186 PolarHBondContact O-N 2.89Å; M184-L186 HydrophobicContact SD-CD1 3.66Å; M184-L186 HydrophobicContact SD-CD2 4.08Å; M184-L186 HydrophobicContact SD-CG 3.95Å; L186-M189 HydrophobicContact CD1-CE 4.09Å; L186-V211 HydrophobicContact CD2-CG1 4.21Å; L186-L213 HydrophobicContact CD2-CD2 3.34Å; L186-W253 HydrophobicContact CD2-CH2 4.26Å; L186-W253 HydrophobicContact CD2-CZ2 4.45Å; L186-F271 HydrophobicContact CD2-CZ 4.09Å
187R90.9Very high89Confident159 Ų15960.4 Ų60.460%0.630%0.3SS*.  trans-92.6176.8162.5-53.1-170.6175.7175.81.6110.4M189 P212 V214R187-M189 PolarHBondContact O-N 3.45Å; R187-P212 HydrophobicContact CB-CB 4.05Å; R187-P212 HydrophobicContact CB-CG 4.32Å; R187-P212 HydrophobicContact CG-CB 4.45Å; R187-P212 PolarHBondContact N-O 3.29Å; R187-V214 HydrophobicContact CG-CG2 3.44Å; R187-V214 VanDerWaalsContact CG-CG2 3.44Å
188E89.3Confident89.2Confident145 Ų14564 Ų6468%0.67832%0.319SS*.  trans-58.1129.4173.6-63.6-171.2158.400111.3P212E188-P212 WeakPolarHBondContact O-CD 3.39Å; E188-P212 WeakPolarHBondContact O-CG 3.24Å
189M91.7Very high89.5Confident17 Ų1759 Ų598%0.08430%0.296CS..  trans-73.2145.7173.9-60.9177.9-171.500109.8L177 L186 R187 L209 M210 V211L177-M189 HydrophobicContact CD1-CE 3.11Å; L177-M189 HydrophobicContact CD1-SD 4.2Å; L177-M189 HydrophobicContact CG-CE 4.44Å; L186-M189 HydrophobicContact CD1-CE 4.09Å; R187-M189 PolarHBondContact O-N 3.45Å; M189-L209 HydrophobicContact CB-CD2 3.99Å; M189-L209 HydrophobicContact CB-CG 4.34Å; M189-L209 HydrophobicContact CG-CD2 4.36Å; M189-L209 HydrophobicContact SD-CD2 3.75Å; M189-M210 WeakPolarHBondContact CA-O 3.32Å; M189-V211 HydrophobicContact CE-CG1 3.73Å; M189-V211 HydrophobicContact CE-CG2 4.23Å; M189-V211 HydrophobicContact CG-CG2 4.3Å; M189-V211 HydrophobicContact SD-CG2 4.08Å
190Y92.1Very high89.7Confident102 Ų10255.8 Ų55.840%0.427%0.268SS..EExtended strand (participates in β ladder)trans-142.1153.3179.264.6-91.5000111.5M210 P212 L320Y190-M210 HydrophobicContact CD1-CB 4.12Å; Y190-M210 HydrophobicContact CD2-CB 4.07Å; Y190-M210 HydrophobicContact CD2-CG 4.02Å; Y190-M210 HydrophobicContact CE1-CB 3.74Å; Y190-M210 HydrophobicContact CE1-CG 4.41Å; Y190-M210 HydrophobicContact CE2-CB 3.68Å; Y190-M210 HydrophobicContact CE2-CG 3.44Å; Y190-M210 VanDerWaalsContact CE2-CG 3.44Å; Y190-M210 HydrophobicContact CG-CB 4.28Å; Y190-M210 VanDerWaalsContact CZ-CB 3.49Å; Y190-M210 PolarHBondContact N-O 2.88Å; Y190-M210 PolarHBondContact O-N 3.12Å; Y190-P212 HydrophobicContact CD1-CG 4.07Å; Y190-P212 HydrophobicContact CE1-CG 3.74Å; Y190-L320 HydrophobicContact CE1-CD2 4.4Å; Y190-L320 VanDerWaalsContact OH-CD2 3.24Å; Y190-L320 WeakPolarHBondContact OH-CD2 3.36Å
191L92.7Very high90Very high6 Ų649.9 Ų49.93%0.03124%0.243CC..EExtended strand (participates in β ladder)trans-76.1130.2177.1-17164000109.7R163 A166 L167 Y196 A207R163-L191 HydrophobicContact CG-CD2 4.09Å; A166-L191 HydrophobicContact CB-CD1 3.81Å; A166-L191 HydrophobicContact CB-CD2 4.15Å; L167-L191 HydrophobicContact CD2-CB 4.19Å; L167-L191 HydrophobicContact CD2-CD2 4.42Å; L167-L191 HydrophobicContact CG-CD2 4.46Å; L191-Y196 HydrophobicContact CB-CD2 4.19Å; L191-Y196 HydrophobicContact CD2-CD2 3.98Å; L191-Y196 HydrophobicContact CG-CD2 4.17Å; L191-Y196 HydrophobicContact CG-CG 4.49Å; L191-A207 HydrophobicContact CD1-CB 3.98Å
192S91Very high90.3Very high9 Ų950.2 Ų50.26%0.06325%0.246CC..EExtended strand (participates in β ladder)trans-128.8-177165-165.30000107.9Q208 M210S192-Q208 CarbonylContact C-O 3.54Å; S192-Q208 PolarHBondContact N-O 3.17Å; S192-Q208 PolarHBondContact O-N 3.17Å; S192-Q208 VanDerWaalsContact O-N 3.11Å; S192-M210 VanDerWaalsContact CB-CG 3.49Å
193G88.7Confident90.4Very high0 Ų047.7 Ų47.70%023%0.229CC..SBendtrans108169.3-177.400000113.3L195 Y196 D197 R350G193-L195 PolarHBondContact O-N 3.4Å; G193-Y196 PolarHBondContact O-N 2.89Å; G193-Y196 VanDerWaalsContact O-N 3.13Å; G193-D197 PolarHBondContact O-N 3.39Å; G193-R350 VanDerWaalsContact C-CZ 3.41Å; G193-R350 PolarHBondContact O-NH2 3.21Å
194S89.5Confident90.5Very high15 Ų1541.3 Ų41.311%0.10520%0.195CC..THydrogen-bonded Turntrans-70.6-23.1-172.7-73.20000111.9Y196 D198 L199 Q200 R350 K376S194-Y196 VanDerWaalsContact C-N 3.32Å; S194-D198 PolarHBondContact O-N 2.85Å; S194-L199 CarbonylContact O-C 3.54Å; S194-L199 PolarHBondContact O-N 2.83Å; S194-Q200 PolarHBondContact O-N 3Å; S194-R350 VanDerWaalsContact CA-NH2 3.29Å; S194-R350 PolarHBondContact OG-NH2 2.78Å; S194-K376 PolarHBondContact OG-NZ 3.49Å
195L90Very high90.5Very high0 Ų042.8 Ų42.80%020%0.203CC..THydrogen-bonded Turntrans-62.1-39.4172-173.856.3000112.4Q159 A162 R163 G193 Q200 A204 A207 L313Q159-L195 HydrophobicContact CG-CD1 3.67Å; Q159-L195 PolarHBondContact NE2-O 3.18Å; A162-L195 HydrophobicContact CB-CD1 4.37Å; A162-L195 HydrophobicContact CB-CD2 4.12Å; R163-L195 PolarHBondContact NH2-O 3.39Å; G193-L195 PolarHBondContact O-N 3.4Å; L195-Q200 VanDerWaalsContact CD1-OE1 3.24Å; L195-A204 HydrophobicContact CD1-CB 3.89Å; L195-A207 HydrophobicContact CD2-CB 4.1Å; L195-L313 HydrophobicContact CD2-CD1 4.19Å
196Y88.9Confident90.5Very high126 Ų12643.9 Ų43.949%0.49421%0.205SC..THydrogen-bonded Turntrans-75.7-39.2-179.5-173.2-101.7000111.6R163 L191 G193 S194 D198R163-Y196 PolarHBondContact NH2-O 3.02Å; L191-Y196 HydrophobicContact CB-CD2 4.19Å; L191-Y196 HydrophobicContact CD2-CD2 3.98Å; L191-Y196 HydrophobicContact CG-CD2 4.17Å; L191-Y196 HydrophobicContact CG-CG 4.49Å; G193-Y196 PolarHBondContact O-N 2.89Å; G193-Y196 VanDerWaalsContact O-N 3.13Å; S194-Y196 VanDerWaalsContact C-N 3.32Å; Y196-D198 VanDerWaalsContact C-N 3.26Å; Y196-D198 PolarHBondContact O-N 3.2Å
197D88.7Confident90.6Very high18 Ų1842.6 Ų42.610%0.09620%0.198CC..THydrogen-bonded Turntrans-82.47.5-178.3-60.1-45.8000114.4G193 L199 R350 R358G193-D197 PolarHBondContact O-N 3.39Å; D197-L199 HydrophobicContact CB-CB 4.31Å; D197-L199 HydrophobicContact CB-CD1 3.95Å; D197-L199 HydrophobicContact CB-CG 4.15Å; D197-L199 PolarHBondContact O-N 3Å; D197-L199 VanDerWaalsContact O-N 3.16Å; D197-R350 IonicContact OD2-CZ 3.8Å; D197-R350 IonicContact OD2-NE 3.29Å; D197-R350 IonicContact OD2-NH2 3.2Å; D197-R350 PolarHBondContact OD2-NH2 2.96Å; D197-R358 IonicContact OD1-NH2 3.72Å
198D89.6Confident90.7Very high82 Ų8236.4 Ų36.444%0.43918%0.176SC..THydrogen-bonded Turntrans55.426.8-172.7-58.3-32.8000114.2Q159 R163 S194 Y196Q159-D198 PolarHBondContact NE2-OD1 3.43Å; R163-D198 IonicContact CZ-OD1 3.72Å; R163-D198 IonicContact NH2-OD1 3.57Å; R163-D198 PolarHBondContact NH2-OD1 3.2Å; S194-D198 PolarHBondContact O-N 2.85Å; Y196-D198 VanDerWaalsContact C-N 3.26Å; Y196-D198 PolarHBondContact O-N 3.2Å
199L90.9Very high90.9Very high3 Ų329.5 Ų29.52%0.01614%0.144CC..  trans-106.2-0.1-177.3-77.6175.9000113.3S194 D197 T354 Y369 L372 K373 K376S194-L199 CarbonylContact O-C 3.54Å; S194-L199 PolarHBondContact O-N 2.83Å; D197-L199 HydrophobicContact CB-CB 4.31Å; D197-L199 HydrophobicContact CB-CD1 3.95Å; D197-L199 HydrophobicContact CB-CG 4.15Å; D197-L199 PolarHBondContact O-N 3Å; D197-L199 VanDerWaalsContact O-N 3.16Å; L199-T354 HydrophobicContact CD1-CG2 3.84Å; L199-Y369 HydrophobicContact CD1-CE1 4.1Å; L199-Y369 HydrophobicContact CD2-CD1 3.33Å; L199-Y369 HydrophobicContact CD2-CE1 3.39Å; L199-Y369 HydrophobicContact CD2-CG 4.23Å; L199-Y369 HydrophobicContact CG-CD1 4.15Å; L199-Y369 HydrophobicContact CG-CE1 3.7Å; L199-L372 HydrophobicContact CD1-CD2 4.34Å; L199-L372 HydrophobicContact CD2-CD2 3.9Å; L199-K373 HydrophobicContact CD2-CG 4.14Å; L199-K376 WeakPolarHBondContact O-CE 3.36Å; L199-K376 PolarHBondContact O-NZ 2.65Å
200Q91.8Very high91Very high13 Ų1329.1 Ų29.16%0.06114%0.142CC..  trans-74.1152.4175.3-163.5160.924.100110.4I154 S194 L195 T203 D205 H206I154-Q200 HydrophobicContact CD1-CB 3.77Å; I154-Q200 HydrophobicContact CD1-CG 3.77Å; S194-Q200 PolarHBondContact O-N 3Å; L195-Q200 VanDerWaalsContact CD1-OE1 3.24Å; Q200-T203 WeakPolarHBondContact CG-O 3.45Å; Q200-D205 PolarHBondContact NE2-OD1 2.97Å; Q200-H206 PolarHBondContact NE2-O 3.38Å; Q200-H206 PolarHBondContact OE1-O 3.01Å
201V91.9Very high91.1Very high5 Ų524.4 Ų24.43%0.0312%0.124CC..  trans-138.3153.4-170.8-60.30000110.6V152 T203 K373 K376 A377 K380V152-V201 HydrophobicContact CG1-CB 4.2Å; V152-V201 HydrophobicContact CG1-CG1 3.74Å; V152-V201 WeakPolarHBondContact O-CA 3.29Å; V201-T203 PolarHBondContact O-N 3.26Å; V201-K373 HydrophobicContact CG1-CB 3.81Å; V201-K373 HydrophobicContact CG1-CG 3.9Å; V201-K373 WeakPolarHBondContact CG1-O 3.41Å; V201-K376 HydrophobicContact CG1-CB 4.22Å; V201-K376 HydrophobicContact CG2-CB 3.84Å; V201-A377 HydrophobicContact CB-CB 4.13Å; V201-A377 HydrophobicContact CG2-CB 4.16Å; V201-K380 HydrophobicContact CG2-CD 4.31Å; V201-K380 PolarHBondContact O-NZ 3.33Å; V201-K380 VanDerWaalsContact O-NZ 3.14Å
202V89.9Confident91.2Very high48 Ų4824.6 Ų24.629%0.29113%0.126SC..SBendtrans69.4-55.9-180-1740000113.6R151 V152 A377 K380 L381R151-V202 WeakPolarHBondContact O-CA 3.32Å; V152-V202 PolarHBondContact O-N 3.02Å; V202-A377 HydrophobicContact CG2-CB 4.1Å; V202-K380 HydrophobicContact CB-CD 4.11Å; V202-K380 HydrophobicContact CG2-CD 4.06Å; V202-L381 HydrophobicContact CG1-CD2 4.16Å; V202-L381 HydrophobicContact CG2-CD1 4.17Å; V202-L381 HydrophobicContact CG2-CD2 4.16Å; V202-L381 HydrophobicContact CG2-CG 4.12Å
203T89.5Confident91.4Very high44 Ų4424.6 Ų24.627%0.2713%0.125SC..SBendtrans-155.7153.1178.5177.70000110.4I154 E158 Q200 V201 D205I154-T203 VanDerWaalsContact CD1-C 3.47Å; E158-T203 WeakPolarHBondContact OE1-CA 3.31Å; E158-T203 PolarHBondContact OE1-OG1 3.08Å; Q200-T203 WeakPolarHBondContact CG-O 3.45Å; V201-T203 PolarHBondContact O-N 3.26Å; T203-D205 VanDerWaalsContact C-N 3.28Å; T203-D205 HydrophobicContact CG2-CB 3.91Å; T203-D205 PolarHBondContact O-N 3.48Å
204A90.3Very high91.6Very high0 Ų026.9 Ų26.90%014%0.139CC..  trans-81.271.8175.700000111.2I154 E158 A162 L195I154-A204 HydrophobicContact CD1-CB 4.43Å; I154-A204 HydrophobicContact CG2-CB 4.29Å; E158-A204 HydrophobicContact CG-CB 4.06Å; E158-A204 PolarHBondContact OE1-N 3.38Å; A162-A204 HydrophobicContact CB-CB 3.5Å; A162-A204 VanDerWaalsContact CB-CB 3.5Å; L195-A204 HydrophobicContact CD1-CB 3.89Å
205D90.8Very high91.9Very high44 Ų4427.8 Ų27.824%0.23514%0.142CC..  trans-102.4-10.7-17258.4-6.7000115.1Q200 T203 Y314 K380Q200-D205 PolarHBondContact NE2-OD1 2.97Å; T203-D205 VanDerWaalsContact C-N 3.28Å; T203-D205 HydrophobicContact CG2-CB 3.91Å; T203-D205 PolarHBondContact O-N 3.48Å; D205-Y314 WeakPolarHBondContact O-CD2 3.43Å; D205-Y314 PolarHBondContact O-N 2.69Å; D205-K380 IonicContact OD1-NZ 2.75Å; D205-K380 PolarHBondContact OD1-NZ 2.86Å; D205-K380 VanDerWaalsContact OD2-CE 3.29Å; D205-K380 WeakPolarHBondContact OD2-CE 3.41Å; D205-K380 IonicContact OD2-NZ 3.21Å; D205-K380 PolarHBondContact OD2-NZ 3Å
206H91.9Very high92Very high58 Ų5830.5 Ų30.527%0.26916%0.155SC..EExtended strand (participates in β ladder)trans-145.7133-170.7-167.679.1000113.6Q200 Y314 D316Q200-H206 PolarHBondContact NE2-O 3.38Å; Q200-H206 PolarHBondContact OE1-O 3.01Å; H206-Y314 CarbonylContact C-O 3.17Å; H206-Y314 VanDerWaalsContact CA-O 3.32Å; H206-Y314 WeakPolarHBondContact CA-O 3.39Å; H206-D316 IonicContact CE1-OD1 3.52Å; H206-D316 IonicContact CE1-OD2 3.32Å; H206-D316 PolarHBondContact CE1-OD2 3.44Å; H206-D316 IonicContact NE2-OD2 3.9Å; H206-D316 PolarHBondContact NE2-OD2 3.45Å
207A92.8Very high91.9Very high0 Ų032.1 Ų32.10%016%0.164CC..EExtended strand (participates in β ladder)trans-136.6152.9177.300000110.6A166 L191 L195 L313 Y314 V315 D316A166-A207 HydrophobicContact CB-CB 4.16Å; L191-A207 HydrophobicContact CD1-CB 3.98Å; L195-A207 HydrophobicContact CD2-CB 4.1Å; A207-L313 HydrophobicContact CB-CD1 3.99Å; A207-L313 HydrophobicContact CB-CD2 4.49Å; A207-L313 HydrophobicContact CB-CG 4.48Å; A207-Y314 PolarHBondContact N-O 3.06Å; A207-V315 HydrophobicContact CB-CG2 4.32Å; A207-V315 WeakPolarHBondContact O-CA 3.24Å; A207-D316 PolarHBondContact O-N 2.95Å
208Q93.1Very high91.8Very high29 Ų2936.8 Ų36.814%0.13619%0.189CC..EExtended strand (participates in β ladder)trans-121.7119.9179.1-65.8176.1-23.100109.5S192 D316 L318S192-Q208 CarbonylContact C-O 3.54Å; S192-Q208 PolarHBondContact N-O 3.17Å; S192-Q208 PolarHBondContact O-N 3.17Å; S192-Q208 VanDerWaalsContact O-N 3.11Å; Q208-D316 CarbonylContact C-O 3.6Å; Q208-D316 WeakPolarHBondContact CA-O 3.4Å; Q208-D316 HydrophobicContact CG-CB 4.48Å; Q208-L318 HydrophobicContact CB-CD1 4.14Å; Q208-L318 HydrophobicContact CG-CD1 4.15Å
209L93.3Very high92Very high1 Ų133.5 Ų33.51%0.00517%0.172CC..EExtended strand (participates in β ladder)trans-94.1115.7171.9-156.483000110.1C170 M189 V315 D316 F317 L318C170-L209 HydrophobicContact CB-CD1 3.5Å; C170-L209 HydrophobicContact CB-CD2 4.37Å; M189-L209 HydrophobicContact CB-CD2 3.99Å; M189-L209 HydrophobicContact CB-CG 4.34Å; M189-L209 HydrophobicContact CG-CD2 4.36Å; M189-L209 HydrophobicContact SD-CD2 3.75Å; L209-V315 HydrophobicContact CB-CG1 4.29Å; L209-D316 PolarHBondContact N-O 3.25Å; L209-F317 HydrophobicContact CB-CD1 4Å; L209-F317 HydrophobicContact CB-CE1 4.02Å; L209-F317 HydrophobicContact CD2-CD1 3.75Å; L209-F317 HydrophobicContact CD2-CE1 3.42Å; L209-F317 VanDerWaalsContact CD2-CE1 3.42Å; L209-F317 HydrophobicContact CD2-CZ 4.49Å; L209-F317 HydrophobicContact CG-CD1 4.48Å; L209-F317 HydrophobicContact CG-CE1 4.32Å; L209-L318 PolarHBondContact O-N 3.4Å
210M94.1Very high92.2Very high9 Ų934.3 Ų34.34%0.04418%0.175CC..EExtended strand (participates in β ladder)trans-80.7128.9174.7-54.7-53.5-62.900109M189 Y190 S192 P212 L318 L320 I330M189-M210 WeakPolarHBondContact CA-O 3.32Å; Y190-M210 HydrophobicContact CD1-CB 4.12Å; Y190-M210 HydrophobicContact CD2-CB 4.07Å; Y190-M210 HydrophobicContact CD2-CG 4.02Å; Y190-M210 HydrophobicContact CE1-CB 3.74Å; Y190-M210 HydrophobicContact CE1-CG 4.41Å; Y190-M210 HydrophobicContact CE2-CB 3.68Å; Y190-M210 HydrophobicContact CE2-CG 3.44Å; Y190-M210 VanDerWaalsContact CE2-CG 3.44Å; Y190-M210 HydrophobicContact CG-CB 4.28Å; Y190-M210 VanDerWaalsContact CZ-CB 3.49Å; Y190-M210 PolarHBondContact N-O 2.88Å; Y190-M210 PolarHBondContact O-N 3.12Å; S192-M210 VanDerWaalsContact CB-CG 3.49Å; M210-P212 WeakPolarHBondContact O-CD 3.4Å; M210-L318 HydrophobicContact CE-CB 4.25Å; M210-L318 HydrophobicContact SD-CB 4.07Å; M210-L318 HydrophobicContact SD-CD1 4.17Å; M210-L320 HydrophobicContact CB-CD2 4.48Å; M210-L320 HydrophobicContact CE-CB 3.96Å; M210-L320 HydrophobicContact CE-CD1 4.08Å; M210-L320 HydrophobicContact CE-CD2 3.94Å; M210-L320 HydrophobicContact CE-CG 4.21Å; M210-I330 HydrophobicContact CE-CG2 3.79Å
211V93.6Very high92.3Very high2 Ų235.1 Ų35.11%0.01218%0.182CC..EExtended strand (participates in β ladder)trans-114.490179.1-177.80000108.5L186 M189 L213 F271 F317 L318 P319 L320L186-V211 HydrophobicContact CD2-CG1 4.21Å; M189-V211 HydrophobicContact CE-CG1 3.73Å; M189-V211 HydrophobicContact CE-CG2 4.23Å; M189-V211 HydrophobicContact CG-CG2 4.3Å; M189-V211 HydrophobicContact SD-CG2 4.08Å; V211-L213 HydrophobicContact CG1-CD2 4.04Å; V211-L213 WeakPolarHBondContact O-CD2 3.37Å; V211-L213 PolarHBondContact O-N 3.22Å; V211-F271 HydrophobicContact CG1-CE1 3.89Å; V211-F271 HydrophobicContact CG1-CZ 3.76Å; V211-F317 HydrophobicContact CG2-CD1 4.29Å; V211-L318 PolarHBondContact N-O 3.39Å; V211-P319 WeakPolarHBondContact O-CA 3.5Å; V211-L320 PolarHBondContact O-N 2.89Å
212P94.7Very high92.5Very high11 Ų1136.4 Ų36.47%0.07119%0.191CC..EExtended strand (participates in β ladder)trans-77.9117.2-171.8-8.526.4000110.4R187 E188 Y190 M210 L320R187-P212 HydrophobicContact CB-CB 4.05Å; R187-P212 HydrophobicContact CB-CG 4.32Å; R187-P212 HydrophobicContact CG-CB 4.45Å; R187-P212 PolarHBondContact N-O 3.29Å; E188-P212 WeakPolarHBondContact O-CD 3.39Å; E188-P212 WeakPolarHBondContact O-CG 3.24Å; Y190-P212 HydrophobicContact CD1-CG 4.07Å; Y190-P212 HydrophobicContact CE1-CG 3.74Å; M210-P212 WeakPolarHBondContact O-CD 3.4Å; P212-L320 CarbonylContact C-O 3.59Å; P212-L320 WeakPolarHBondContact CA-O 3.21Å; P212-L320 HydrophobicContact CB-CD2 4.43Å
213L94.9Very high92.7Very high8 Ų835.8 Ų35.84%0.04219%0.186CC..EExtended strand (participates in β ladder)trans-90.1139.8177.7-38.3-179.6000109.2L186 V211 W253 V267 F271 P319 L320 L321 W345L186-L213 HydrophobicContact CD2-CD2 3.34Å; V211-L213 HydrophobicContact CG1-CD2 4.04Å; V211-L213 WeakPolarHBondContact O-CD2 3.37Å; V211-L213 PolarHBondContact O-N 3.22Å; L213-W253 HydrophobicContact CB-CH2 4.1Å; L213-W253 HydrophobicContact CB-CZ2 3.66Å; L213-W253 HydrophobicContact CD1-CH2 3.91Å; L213-W253 HydrophobicContact CD1-CZ2 4.22Å; L213-W253 HydrophobicContact CD1-CZ3 4.14Å; L213-W253 HydrophobicContact CD2-CH2 3.78Å; L213-W253 HydrophobicContact CD2-CZ2 4.15Å; L213-W253 HydrophobicContact CG-CH2 4.15Å; L213-W253 HydrophobicContact CG-CZ2 4.22Å; L213-V267 HydrophobicContact CD1-CG1 3.89Å; L213-F271 HydrophobicContact CD2-CE2 3.86Å; L213-F271 HydrophobicContact CD2-CZ 3.69Å; L213-P319 HydrophobicContact CD1-CB 4.06Å; L213-P319 HydrophobicContact CD2-CB 4.44Å; L213-P319 HydrophobicContact CG-CB 4.39Å; L213-L320 PolarHBondContact N-O 2.99Å; L213-L321 HydrophobicContact CB-CD2 3.76Å; L213-L321 HydrophobicContact CD1-CD2 3.99Å; L213-L321 HydrophobicContact CG-CD2 4.23Å; L213-W345 HydrophobicContact CD1-CH2 4.18Å
214V94.4Very high93Very high49 Ų4934.9 Ų34.930%0.29718%0.18SC..PPolyproline II helixtrans-97.3119176.4-1780000109P185 R187 W253P185-V214 HydrophobicContact CB-CB 4.14Å; P185-V214 PolarHBondContact O-N 3.37Å; R187-V214 HydrophobicContact CG-CG2 3.44Å; R187-V214 VanDerWaalsContact CG-CG2 3.44Å; V214-W253 PolarHBondContact O-NE1 3.48Å
215L93.9Very high93.2Very high34 Ų3434.9 Ų34.918%0.17818%0.18CC..PPolyproline II helixtrans-92.5139.4169.3-62-175.6000110W220 V238 W253 L262 L321 M323L215-W220 HydrophobicContact CB-CB 4.44Å; L215-W220 HydrophobicContact CB-CG 4.2Å; L215-W220 HydrophobicContact CD1-CB 3.99Å; L215-W220 HydrophobicContact CD1-CG 4.1Å; L215-W220 HydrophobicContact CD2-CD2 4.46Å; L215-W220 HydrophobicContact CD2-CG 4.3Å; L215-W220 HydrophobicContact CG-CG 4.43Å; L215-V238 HydrophobicContact CD1-CG1 4.03Å; L215-W253 HydrophobicContact CD2-CG 4.08Å; L215-L262 HydrophobicContact CD2-CD2 3.88Å; L215-L321 HydrophobicContact CD1-CD1 4.14Å; L215-L321 HydrophobicContact CD1-CD2 3.88Å; L215-L321 HydrophobicContact CD1-CG 4.47Å; L215-L321 HydrophobicContact CD2-CD2 3.9Å; L215-L321 HydrophobicContact CG-CD2 3.74Å; L215-M323 HydrophobicContact CD1-SD 4.32Å
216E93.1Very high93.3Very high57 Ų5734.7 Ų34.727%0.26618%0.178SC..PPolyproline II helixtrans-69.6133.8175.5-54.587.8161.500110.4L219 W220 S251 Y252E216-L219 HydrophobicContact CB-CB 4.23Å; E216-L219 HydrophobicContact CB-CD1 3.78Å; E216-L219 HydrophobicContact CB-CG 3.96Å; E216-L219 HydrophobicContact CG-CD1 4.18Å; E216-L219 PolarHBondContact O-N 2.94Å; E216-W220 PolarHBondContact OE2-NE1 3.29Å; E216-S251 VanDerWaalsContact OE1-CA 3.26Å; E216-S251 WeakPolarHBondContact OE1-CA 3.3Å; E216-S251 WeakPolarHBondContact OE1-CB 3.27Å; E216-S251 PolarHBondContact OE1-OG 3.49Å; E216-S251 WeakPolarHBondContact OE2-CB 3.41Å; E216-S251 PolarHBondContact OE2-OG 3.46Å; E216-Y252 PolarHBondContact OE1-N 3.19Å
217K86.3Confident93.4Very high159 Ų15937.8 Ų37.869%0.69120%0.196SC*.THydrogen-bonded Turntrans-58.8142.3176.3-62.7-172.3176.6-172.90110L219K217-L219 PolarHBondContact O-N 2.97Å; K217-L219 VanDerWaalsContact O-N 3.13Å
218N87.8Confident93.5Very high116 Ų11638.9 Ų38.962%0.6220%0.204SC*.THydrogen-bonded Turntrans67.3-3.3-180-45.8-43.9000116.3N242N218-N242 PolarHBondContact O-ND2 3.08Å
219L93.5Very high93.4Very high13 Ų1346.1 Ų46.17%0.06824%0.241CC..THydrogen-bonded Turntrans-94.9-17.6175.1-62.9-164.7000112.9E216 K217 R240 E241 F246E216-L219 HydrophobicContact CB-CB 4.23Å; E216-L219 HydrophobicContact CB-CD1 3.78Å; E216-L219 HydrophobicContact CB-CG 3.96Å; E216-L219 HydrophobicContact CG-CD1 4.18Å; E216-L219 PolarHBondContact O-N 2.94Å; K217-L219 PolarHBondContact O-N 2.97Å; K217-L219 VanDerWaalsContact O-N 3.13Å; L219-R240 WeakPolarHBondContact O-CA 3.43Å; L219-R240 WeakPolarHBondContact O-CD 3.48Å; L219-R240 PolarHBondContact O-NH1 3.01Å; L219-R240 VanDerWaalsContact O-NH1 3.09Å; L219-E241 PolarHBondContact O-N 3.35Å; L219-F246 HydrophobicContact CD2-CB 3.79Å; L219-F246 HydrophobicContact CD2-CD1 4.43Å; L219-F246 HydrophobicContact CD2-CD2 3.57Å; L219-F246 HydrophobicContact CD2-CE2 4.26Å; L219-F246 HydrophobicContact CD2-CG 3.67Å
220W94.6Very high93.2Very high21 Ų2148.2 Ų48.28%0.0825%0.251CS..EExtended strand (participates in β ladder)trans-136.4142.8-172.6-54.596.4000111.3L215 E216 V238 R239 R240 S251 W253 M257 L262L215-W220 HydrophobicContact CB-CB 4.44Å; L215-W220 HydrophobicContact CB-CG 4.2Å; L215-W220 HydrophobicContact CD1-CB 3.99Å; L215-W220 HydrophobicContact CD1-CG 4.1Å; L215-W220 HydrophobicContact CD2-CD2 4.46Å; L215-W220 HydrophobicContact CD2-CG 4.3Å; L215-W220 HydrophobicContact CG-CG 4.43Å; E216-W220 PolarHBondContact OE2-NE1 3.29Å; W220-V238 HydrophobicContact CB-CG1 4.33Å; W220-V238 HydrophobicContact CE3-CG1 4.02Å; W220-R239 CarbonylContact C-O 3.54Å; W220-R239 VanDerWaalsContact CA-O 3.3Å; W220-R239 WeakPolarHBondContact CA-O 3.36Å; W220-R240 HydrophobicContact CE3-CB 4.15Å; W220-R240 HydrophobicContact CH2-CB 4.36Å; W220-R240 VanDerWaalsContact CH2-CD 3.46Å; W220-R240 HydrophobicContact CH2-CG 4.43Å; W220-R240 HydrophobicContact CZ3-CB 3.79Å; W220-R240 HydrophobicContact CZ3-CG 4.3Å; W220-S251 WeakPolarHBondContact CZ2-OG 3.48Å; W220-S251 PolarHBondContact NE1-OG 3.09Å; W220-W253 HydrophobicContact CH2-CB 4.11Å; W220-W253 HydrophobicContact CZ2-CB 3.63Å; W220-M257 HydrophobicContact CH2-CG 3.65Å; W220-M257 HydrophobicContact CH2-SD 3.66Å; W220-M257 HydrophobicContact CZ3-CG 4.09Å; W220-M257 HydrophobicContact CZ3-SD 4.05Å; W220-L262 HydrophobicContact CE3-CB 4.2Å; W220-L262 HydrophobicContact CH2-CB 4.25Å; W220-L262 HydrophobicContact CH2-CD1 4.41Å; W220-L262 HydrophobicContact CZ3-CB 3.67Å
221S94.7Very high93.2Very high30 Ų3053 Ų5321%0.2128%0.277CS..EExtended strand (participates in β ladder)trans-131.5153.7171.170.20000110.4V238 R239 E241S221-V238 CarbonylContact O-C 3.56Å; S221-V238 VanDerWaalsContact O-CA 3.32Å; S221-V238 WeakPolarHBondContact O-CA 3.39Å; S221-R239 PolarHBondContact N-O 3.43Å; S221-R239 PolarHBondContact O-N 2.86Å; S221-E241 WeakPolarHBondContact CB-OE1 3.3Å; S221-E241 PolarHBondContact OG-OE1 2.95Å
222S94.8Very high93.1Very high32 Ų3254.1 Ų54.122%0.22428%0.283CS..EExtended strand (participates in β ladder)trans-101.3138.7172.752.60000110.4L237S222-L237 CarbonylContact C-O 3.6Å; S222-L237 WeakPolarHBondContact CA-O 3.43Å
223I95.5Very high93Very high35 Ų3555.3 Ų55.318%0.17929%0.29CS..EExtended strand (participates in β ladder)trans-122.8121.9177.1-56.7172.3000107.6T228 W236 L237 R239 Y261I223-T228 HydrophobicContact CG2-CG2 3.9Å; I223-W236 VanDerWaalsContact C-CE3 3.45Å; I223-W236 WeakPolarHBondContact O-CA 3.44Å; I223-L237 HydrophobicContact CB-CB 4.37Å; I223-L237 PolarHBondContact N-O 3.35Å; I223-L237 PolarHBondContact O-N 2.97Å; I223-R239 HydrophobicContact CD1-CB 3.97Å; I223-Y261 HydrophobicContact CD1-CE1 4.36Å
224P95.3Very high92.9Very high25 Ų2555.1 Ų55.116%0.16229%0.291CS..EExtended strand (participates in β ladder)trans-58.9138.4177-19.228.9000111.1E226 D227 T228 W236P224-E226 HydrophobicContact CB-CG 4.02Å; P224-E226 WeakPolarHBondContact CB-OE2 3.11Å; P224-E226 PolarHBondContact O-N 2.88Å; P224-D227 WeakPolarHBondContact CG-OD2 3.38Å; P224-D227 PolarHBondContact O-N 3.02Å; P224-T228 WeakPolarHBondContact O-CG2 3.3Å; P224-W236 HydrophobicContact CB-CE3 4.27Å; P224-W236 HydrophobicContact CB-CH2 4.21Å; P224-W236 HydrophobicContact CB-CZ2 4.42Å; P224-W236 HydrophobicContact CB-CZ3 4.12Å; P224-W236 HydrophobicContact CG-CE3 4.07Å; P224-W236 HydrophobicContact CG-CH2 3.69Å; P224-W236 HydrophobicContact CG-CZ2 4.36Å; P224-W236 HydrophobicContact CG-CZ3 3.51Å
225G93.2Very high93Very high0 Ų053 Ų530%028%0.278CS..G310 helixtrans-63.2-29.4-177.300000113.1D227 T228 N231 I232 F235G225-D227 VanDerWaalsContact C-N 3.27Å; G225-D227 PolarHBondContact O-N 3.42Å; G225-T228 PolarHBondContact O-N 2.89Å; G225-T228 PolarHBondContact O-OG1 3.44Å; G225-N231 WeakPolarHBondContact O-CA 3.31Å; G225-N231 PolarHBondContact O-N 3.39Å; G225-I232 CarbonylContact C-O 3.58Å; G225-I232 WeakPolarHBondContact CA-O 3.26Å; G225-I232 PolarHBondContact O-N 2.9Å; G225-F235 WeakPolarHBondContact CA-O 3.26Å; G225-F235 PolarHBondContact N-O 3.47Å
226E93.4Very high93.1Very high39 Ų3952.7 Ų52.718%0.18227%0.274CS..G310 helixtrans-64.1-27.917260.7-99.6-128.700114P224 T228 P233P224-E226 HydrophobicContact CB-CG 4.02Å; P224-E226 WeakPolarHBondContact CB-OE2 3.11Å; P224-E226 PolarHBondContact O-N 2.88Å; E226-T228 VanDerWaalsContact C-N 3.27Å; E226-P233 HydrophobicContact CB-CG 4.22Å
227D95.3Very high93.2Very high123 Ų12350.5 Ų50.566%0.65826%0.264SS*.G310 helixtrans-87.9-0.8179.9-63.3-24.6000112P224 G225P224-D227 WeakPolarHBondContact CG-OD2 3.38Å; P224-D227 PolarHBondContact O-N 3.02Å; G225-D227 VanDerWaalsContact C-N 3.27Å; G225-D227 PolarHBondContact O-N 3.42Å
228T93.5Very high93.7Very high24 Ų2442.9 Ų42.915%0.14723%0.231CC..SBendtrans-100.5168.1176.276.30000111.2I223 P224 G225 E226 M230 N231 L237I223-T228 HydrophobicContact CG2-CG2 3.9Å; P224-T228 WeakPolarHBondContact O-CG2 3.3Å; G225-T228 PolarHBondContact O-N 2.89Å; G225-T228 PolarHBondContact O-OG1 3.44Å; E226-T228 VanDerWaalsContact C-N 3.27Å; T228-M230 HydrophobicContact CG2-CE 4.31Å; T228-M230 PolarHBondContact O-N 3.1Å; T228-M230 VanDerWaalsContact O-N 3.11Å; T228-M230 WeakPolarHBondContact OG1-CE 3.44Å; T228-M230 PolarHBondContact OG1-N 3.06Å; T228-N231 PolarHBondContact O-N 3.33Å; T228-L237 HydrophobicContact CG2-CD1 3.73Å; T228-L237 HydrophobicContact CG2-CG 4.24Å
229I91.7Very high94Very high180 Ų18042.2 Ų42.292%0.92322%0.22SC*.THydrogen-bonded Turntrans-61.3-19.1173.7-166.5148.3000114N231I229-N231 VanDerWaalsContact C-N 3.32Å
230M89.8Confident94.2Very high45 Ų4542 Ų4222%0.22222%0.218CC..THydrogen-bonded Turntrans-73.4-28.4176.7-62.7171.6-74.200111.5T228 I232 L237 H341 L344T228-M230 HydrophobicContact CG2-CE 4.31Å; T228-M230 PolarHBondContact O-N 3.1Å; T228-M230 VanDerWaalsContact O-N 3.11Å; T228-M230 WeakPolarHBondContact OG1-CE 3.44Å; T228-M230 PolarHBondContact OG1-N 3.06Å; M230-I232 HydrophobicContact CB-CD1 4.29Å; M230-I232 HydrophobicContact CB-CG1 4.07Å; M230-I232 VanDerWaalsContact O-CG1 3.23Å; M230-I232 WeakPolarHBondContact O-CG1 3.37Å; M230-I232 PolarHBondContact O-N 3.32Å; M230-L237 HydrophobicContact CE-CD1 3.68Å; M230-L237 HydrophobicContact CE-CD2 3.9Å; M230-L237 HydrophobicContact CE-CG 3.78Å; M230-H341 HydrophobicContact SD-CB 4.22Å; M230-H341 PolarHBondContact SD-ND1 3.4Å; M230-L344 HydrophobicContact CE-CD1 4.39Å; M230-L344 HydrophobicContact CE-CD2 3.38Å; M230-L344 HydrophobicContact CE-CG 3.95Å; M230-L344 HydrophobicContact SD-CD1 3.77Å; M230-L344 HydrophobicContact SD-CD2 3.85Å; M230-L344 HydrophobicContact SD-CG 3.71Å
231N92.4Very high94.2Very high111 Ų11143.1 Ų43.159%0.59422%0.224SC*.  trans49.849.9179.6-17025.6000113.4G225 T228 I229 P233G225-N231 WeakPolarHBondContact O-CA 3.31Å; G225-N231 PolarHBondContact O-N 3.39Å; T228-N231 PolarHBondContact O-N 3.33Å; I229-N231 VanDerWaalsContact C-N 3.32Å; N231-P233 WeakPolarHBondContact O-CD 3.42Å
232I92Very high94Very high24 Ų2445.2 Ų45.212%0.12323%0.233CC..  trans-116.397.6-178.2-47.9-175.2000110G225 M230 F235 L344G225-I232 CarbonylContact C-O 3.58Å; G225-I232 WeakPolarHBondContact CA-O 3.26Å; G225-I232 PolarHBondContact O-N 2.9Å; M230-I232 HydrophobicContact CB-CD1 4.29Å; M230-I232 HydrophobicContact CB-CG1 4.07Å; M230-I232 VanDerWaalsContact O-CG1 3.23Å; M230-I232 WeakPolarHBondContact O-CG1 3.37Å; M230-I232 PolarHBondContact O-N 3.32Å; I232-F235 HydrophobicContact CB-CD2 4.41Å; I232-F235 HydrophobicContact CG2-CB 4.5Å; I232-F235 HydrophobicContact CG2-CD2 3.47Å; I232-F235 VanDerWaalsContact CG2-CD2 3.47Å; I232-F235 HydrophobicContact CG2-CE2 3.98Å; I232-F235 HydrophobicContact CG2-CG 4.25Å; I232-F235 PolarHBondContact O-N 3.31Å; I232-L344 HydrophobicContact CD1-CD1 3.92Å
233P93.7Very high93.9Very high36 Ų3646.8 Ų46.823%0.23424%0.239CC..THydrogen-bonded Turntrans-60.6144.3176.1-21.631.2000112.7E226 N231 F235 K439 V440E226-P233 HydrophobicContact CB-CG 4.22Å; N231-P233 WeakPolarHBondContact O-CD 3.42Å; P233-F235 PolarHBondContact O-N 3.29Å; P233-K439 HydrophobicContact CB-CB 4.37Å; P233-V440 HydrophobicContact CB-CG2 4.34Å
234G93Very high93.6Very high5 Ų553.8 Ų53.85%0.05227%0.27CS..THydrogen-bonded Turntrans821.7-179.500000113.8Q347G234-Q347 VanDerWaalsContact O-CB 3.3Å; G234-Q347 WeakPolarHBondContact O-CB 3.46Å; G234-Q347 PolarHBondContact O-N 2.69Å
235F94.8Very high93.4Very high4 Ų461.1 Ų61.12%0.01830%0.296CS..EExtended strand (participates in β ladder)trans-116.4158.3166.5-68.9-98.6000109.9G225 I232 P233 H334 L344 W345 R346G225-F235 WeakPolarHBondContact CA-O 3.26Å; G225-F235 PolarHBondContact N-O 3.47Å; I232-F235 HydrophobicContact CB-CD2 4.41Å; I232-F235 HydrophobicContact CG2-CB 4.5Å; I232-F235 HydrophobicContact CG2-CD2 3.47Å; I232-F235 VanDerWaalsContact CG2-CD2 3.47Å; I232-F235 HydrophobicContact CG2-CE2 3.98Å; I232-F235 HydrophobicContact CG2-CG 4.25Å; I232-F235 PolarHBondContact O-N 3.31Å; P233-F235 PolarHBondContact O-N 3.29Å; F235-H334 HydrophobicContact CE1-CB 3.91Å; F235-H334 AromaticContact CE2-CD2 3.54Å; F235-H334 HydrophobicContact CZ-CB 4Å; F235-H334 AromaticContact CZ-CD2 3.36Å; F235-H334 WeakPolarHBondContact CZ-CD2 3.17Å; F235-H334 AromaticContact CZ-CG 3.98Å; F235-L344 HydrophobicContact CB-CB 4.24Å; F235-L344 HydrophobicContact CB-CD1 4.03Å; F235-L344 HydrophobicContact CB-CD2 4.03Å; F235-L344 HydrophobicContact CB-CG 4.35Å; F235-L344 HydrophobicContact CD1-CB 3.99Å; F235-L344 HydrophobicContact CD1-CD1 4.42Å; F235-L344 HydrophobicContact CG-CB 4.5Å; F235-L344 HydrophobicContact CG-CD1 4.33Å; F235-W345 CarbonylContact C-O 3.39Å; F235-W345 WeakPolarHBondContact CA-O 3.48Å; F235-R346 HydrophobicContact CD1-CB 4.11Å; F235-R346 HydrophobicContact CE1-CB 3.91Å; F235-R346 HydrophobicContact CE1-CG 4.24Å; F235-R346 HydrophobicContact CZ-CG 4.49Å; F235-R346 VanDerWaalsContact CZ-CZ 3.45Å
236W96.1Very high93.4Very high27 Ų2765.8 Ų65.810%0.10232%0.317CS..EExtended strand (participates in β ladder)trans-142.5145.3-172.1-67.775000110.5I223 P224 T327 L329 W345I223-W236 VanDerWaalsContact C-CE3 3.45Å; I223-W236 WeakPolarHBondContact O-CA 3.44Å; P224-W236 HydrophobicContact CB-CE3 4.27Å; P224-W236 HydrophobicContact CB-CH2 4.21Å; P224-W236 HydrophobicContact CB-CZ2 4.42Å; P224-W236 HydrophobicContact CB-CZ3 4.12Å; P224-W236 HydrophobicContact CG-CE3 4.07Å; P224-W236 HydrophobicContact CG-CH2 3.69Å; P224-W236 HydrophobicContact CG-CZ2 4.36Å; P224-W236 HydrophobicContact CG-CZ3 3.51Å; W236-T327 HydrophobicContact CZ2-CG2 4.08Å; W236-L329 HydrophobicContact CB-CD1 3.88Å; W236-L329 HydrophobicContact CB-CD2 3.75Å; W236-L329 HydrophobicContact CB-CG 4.48Å; W236-L329 HydrophobicContact CD2-CD2 4.21Å; W236-L329 HydrophobicContact CG-CD1 4.33Å; W236-L329 HydrophobicContact CG-CD2 3.51Å; W236-W345 PolarHBondContact N-O 3.38Å; W236-W345 PolarHBondContact O-N 3.19Å
237L95.9Very high93.3Very high11 Ų1167.6 Ų67.66%0.05833%0.332CS..EExtended strand (participates in β ladder)trans-95144.8163.7-72.7-179.9000109.4S222 I223 T228 M230 Y261 N343 L344S222-L237 CarbonylContact C-O 3.6Å; S222-L237 WeakPolarHBondContact CA-O 3.43Å; I223-L237 HydrophobicContact CB-CB 4.37Å; I223-L237 PolarHBondContact N-O 3.35Å; I223-L237 PolarHBondContact O-N 2.97Å; T228-L237 HydrophobicContact CG2-CD1 3.73Å; T228-L237 HydrophobicContact CG2-CG 4.24Å; M230-L237 HydrophobicContact CE-CD1 3.68Å; M230-L237 HydrophobicContact CE-CD2 3.9Å; M230-L237 HydrophobicContact CE-CG 3.78Å; L237-Y261 HydrophobicContact CB-CD1 3.83Å; L237-Y261 HydrophobicContact CB-CE1 4.03Å; L237-Y261 HydrophobicContact CD1-CD1 4.02Å; L237-Y261 HydrophobicContact CD1-CE1 3.69Å; L237-Y261 HydrophobicContact CD2-CD1 4.33Å; L237-Y261 HydrophobicContact CD2-CG 4.45Å; L237-Y261 HydrophobicContact CG-CD1 4.31Å; L237-Y261 HydrophobicContact CG-CE1 4.4Å; L237-N343 HydrophobicContact CD2-CB 3.65Å; L237-N343 WeakPolarHBondContact CD2-O 3.42Å; L237-L344 HydrophobicContact CD2-CD2 3.98Å; L237-L344 HydrophobicContact CG-CD2 4.15Å
238V96.3Very high92.9Very high0 Ų070.1 Ų70.10%033%0.332CS..EExtended strand (participates in β ladder)trans-112.7104.8173.1178.30000107.6L215 W220 S221 Y261 L262 L321 L329 W345L215-V238 HydrophobicContact CD1-CG1 4.03Å; W220-V238 HydrophobicContact CB-CG1 4.33Å; W220-V238 HydrophobicContact CE3-CG1 4.02Å; S221-V238 CarbonylContact O-C 3.56Å; S221-V238 VanDerWaalsContact O-CA 3.32Å; S221-V238 WeakPolarHBondContact O-CA 3.39Å; V238-Y261 CarbonylContact O-C 3.41Å; V238-Y261 WeakPolarHBondContact O-CA 3.49Å; V238-L262 HydrophobicContact CB-CB 4.07Å; V238-L262 HydrophobicContact CG1-CB 3.99Å; V238-L262 HydrophobicContact CG1-CD2 4.23Å; V238-L262 PolarHBondContact O-N 3.4Å; V238-L321 HydrophobicContact CG2-CD1 3.87Å; V238-L329 HydrophobicContact CG2-CD1 3.87Å; V238-W345 HydrophobicContact CG2-CG 4.11Å
239R95.6Very high92.6Very high101 Ų10173.9 Ų73.938%0.38136%0.36SS..EExtended strand (participates in β ladder)trans-92.1139.3-173.3-172.7174.169.8-176.32.9110.8W220 S221 I223 E241 Y261W220-R239 CarbonylContact C-O 3.54Å; W220-R239 VanDerWaalsContact CA-O 3.3Å; W220-R239 WeakPolarHBondContact CA-O 3.36Å; S221-R239 PolarHBondContact N-O 3.43Å; S221-R239 PolarHBondContact O-N 2.86Å; I223-R239 HydrophobicContact CD1-CB 3.97Å; R239-E241 IonicContact CZ-OE1 3.12Å; R239-E241 IonicContact CZ-OE2 3.97Å; R239-E241 IonicContact NE-OE1 2.73Å; R239-E241 PolarHBondContact NE-OE1 3.16Å; R239-E241 IonicContact NE-OE2 3.78Å; R239-E241 IonicContact NH2-OE1 2.69Å; R239-E241 PolarHBondContact NH2-OE1 3.23Å; R239-E241 IonicContact NH2-OE2 3.45Å; R239-E241 PolarHBondContact NH2-OE2 3.46Å; R239-Y261 HydrophobicContact CB-CD1 3.86Å; R239-Y261 HydrophobicContact CB-CE1 3.8Å; R239-Y261 HydrophobicContact CG-CD1 4.21Å; R239-Y261 HydrophobicContact CG-CE1 3.9Å
240R95.8Very high92.6Very high10 Ų1067.8 Ų67.84%0.03833%0.333CS..EExtended strand (participates in β ladder)trans-79.7122170.5-17474177.867.818.1110L219 W220 L243 F246 D254 M257 G260L219-R240 WeakPolarHBondContact O-CA 3.43Å; L219-R240 WeakPolarHBondContact O-CD 3.48Å; L219-R240 PolarHBondContact O-NH1 3.01Å; L219-R240 VanDerWaalsContact O-NH1 3.09Å; W220-R240 HydrophobicContact CE3-CB 4.15Å; W220-R240 HydrophobicContact CH2-CB 4.36Å; W220-R240 VanDerWaalsContact CH2-CD 3.46Å; W220-R240 HydrophobicContact CH2-CG 4.43Å; W220-R240 HydrophobicContact CZ3-CB 3.79Å; W220-R240 HydrophobicContact CZ3-CG 4.3Å; R240-L243 HydrophobicContact CG-CD1 4.36Å; R240-L243 HydrophobicContact CG-CD2 3.78Å; R240-L243 HydrophobicContact CG-CG 3.95Å; R240-F246 PolarHBondContact NH2-O 3.46Å; R240-D254 WeakPolarHBondContact CD-OD1 3.44Å; R240-D254 IonicContact CZ-OD1 3.86Å; R240-D254 IonicContact NE-OD1 2.82Å; R240-D254 PolarHBondContact NE-OD1 3.01Å; R240-M257 HydrophobicContact CB-SD 3.57Å; R240-M257 VanDerWaalsContact CB-SD 3.57Å; R240-M257 HydrophobicContact CG-CE 4.46Å; R240-M257 HydrophobicContact CG-SD 3.5Å; R240-M257 VanDerWaalsContact CG-SD 3.5Å; R240-G260 WeakPolarHBondContact CB-O 3.36Å; R240-G260 PolarHBondContact N-O 3.22Å
241E94.6Very high92.7Very high44 Ų4466 Ų6621%0.20632%0.324CS..PPolyproline II helixtrans-99.9164.7-178.2-63.7-61165.600113L219 S221 R239 L243L219-E241 PolarHBondContact O-N 3.35Å; S221-E241 WeakPolarHBondContact CB-OE1 3.3Å; S221-E241 PolarHBondContact OG-OE1 2.95Å; R239-E241 IonicContact CZ-OE1 3.12Å; R239-E241 IonicContact CZ-OE2 3.97Å; R239-E241 IonicContact NE-OE1 2.73Å; R239-E241 PolarHBondContact NE-OE1 3.16Å; R239-E241 IonicContact NE-OE2 3.78Å; R239-E241 IonicContact NH2-OE1 2.69Å; R239-E241 PolarHBondContact NH2-OE1 3.23Å; R239-E241 IonicContact NH2-OE2 3.45Å; R239-E241 PolarHBondContact NH2-OE2 3.46Å; E241-L243 PolarHBondContact O-N 3.17Å
242N91.8Very high92.8Very high73 Ų7362 Ų6239%0.3930%0.301SS..  trans55.232.2167.2-59.5-45.3000115N218 E244 Y245 F246N218-N242 PolarHBondContact O-ND2 3.08Å; N242-E244 PolarHBondContact O-N 2.8Å; N242-E244 VanDerWaalsContact O-N 3.16Å; N242-Y245 PolarHBondContact O-N 2.86Å; N242-F246 HydrophobicContact CB-CD2 3.98Å; N242-F246 PolarHBondContact O-N 3.07Å
243L91.6Very high92.9Very high66 Ų6660.9 Ų60.935%0.34630%0.296SS..THydrogen-bonded Turntrans-60.1-24178.9-80.8171.5000113.5R240 E241 Y245 F246 R248R240-L243 HydrophobicContact CG-CD1 4.36Å; R240-L243 HydrophobicContact CG-CD2 3.78Å; R240-L243 HydrophobicContact CG-CG 3.95Å; E241-L243 PolarHBondContact O-N 3.17Å; L243-Y245 VanDerWaalsContact C-N 3.35Å; L243-F246 WeakPolarHBondContact CA-O 3.36Å; L243-R248 HydrophobicContact CD2-CG 4.03Å
244E90.6Very high92.9Very high181 Ų18160 Ų6085%0.84629%0.289SS*.THydrogen-bonded Turntrans-67.7-34.8176.1-62.2178.3-179.900112.3N242N242-E244 PolarHBondContact O-N 2.8Å; N242-E244 VanDerWaalsContact O-N 3.16Å
245Y91.4Very high92.9Very high179 Ų17967 Ų6770%0.70231%0.314SS*.THydrogen-bonded Turntrans-97.9-36.8-178.5-64-81.1000112.3N242 L243N242-Y245 PolarHBondContact O-N 2.86Å; L243-Y245 VanDerWaalsContact C-N 3.35Å
246F93.3Very high92.9Very high98 Ų9866.9 Ų66.943%0.4331%0.313SS..SBendtrans-118.695.6-178.9-61.9-72.4000108.9L219 R240 N242 L243L219-F246 HydrophobicContact CD2-CB 3.79Å; L219-F246 HydrophobicContact CD2-CD1 4.43Å; L219-F246 HydrophobicContact CD2-CD2 3.57Å; L219-F246 HydrophobicContact CD2-CE2 4.26Å; L219-F246 HydrophobicContact CD2-CG 3.67Å; R240-F246 PolarHBondContact NH2-O 3.46Å; N242-F246 HydrophobicContact CB-CD2 3.98Å; N242-F246 PolarHBondContact O-N 3.07Å; L243-F246 WeakPolarHBondContact CA-O 3.36Å
247P90.8Very high92.8Very high77 Ų7767.2 Ų67.250%0.532%0.317SS..  trans-63.7169.9-17627.4-35.2000112.2S249 S250P247-S249 PolarHBondContact O-N 3.44Å; P247-S250 WeakPolarHBondContact CD-OG 3.11Å; P247-S250 WeakPolarHBondContact O-CB 3.42Å; P247-S250 PolarHBondContact O-N 3.05Å; P247-S250 VanDerWaalsContact O-N 3.07Å; P247-S250 PolarHBondContact O-OG 3.13Å; P247-S250 VanDerWaalsContact O-OG 3.05Å
248R86.5Confident92.6Very high176 Ų17669.3 Ų69.366%0.66433%0.33SS*.THydrogen-bonded Turntrans-60.5129170.8-60.6-175.9177.7178.2-0.4108.5L243 M257L243-R248 HydrophobicContact CD2-CG 4.03Å; R248-M257 HydrophobicContact CG-CE 3.96Å
249S86.6Confident92.4Very high104 Ų10472.7 Ų72.773%0.72737%0.365SS*.THydrogen-bonded Turntrans103.5-6.9-169.284.90000114.8P247 S251 D254P247-S249 PolarHBondContact O-N 3.44Å; S249-S251 VanDerWaalsContact C-N 3.29Å; S249-D254 WeakPolarHBondContact CA-OD2 3.37Å; S249-D254 PolarHBondContact N-OD2 3.1Å
250S91.4Very high92.2Very high52 Ų5268.8 Ų68.836%0.36436%0.356SS..SBendtrans-72-24.4172.9-64.10000112.8P247 D254P247-S250 WeakPolarHBondContact CD-OG 3.11Å; P247-S250 WeakPolarHBondContact O-CB 3.42Å; P247-S250 PolarHBondContact O-N 3.05Å; P247-S250 VanDerWaalsContact O-N 3.07Å; P247-S250 PolarHBondContact O-OG 3.13Å; P247-S250 VanDerWaalsContact O-OG 3.05Å; S250-D254 PolarHBondContact N-OD2 3.28Å; S250-D254 VanDerWaalsContact N-OD2 3.15Å
251S93.4Very high92.2Very high6 Ų671.4 Ų71.44%0.04237%0.366CS..SBendtrans-112.7145.4173.5173.60000111E216 W220 S249 W253 D254E216-S251 VanDerWaalsContact OE1-CA 3.26Å; E216-S251 WeakPolarHBondContact OE1-CA 3.3Å; E216-S251 WeakPolarHBondContact OE1-CB 3.27Å; E216-S251 PolarHBondContact OE1-OG 3.49Å; E216-S251 WeakPolarHBondContact OE2-CB 3.41Å; E216-S251 PolarHBondContact OE2-OG 3.46Å; W220-S251 WeakPolarHBondContact CZ2-OG 3.48Å; W220-S251 PolarHBondContact NE1-OG 3.09Å; S249-S251 VanDerWaalsContact C-N 3.29Å; S251-W253 PolarHBondContact O-N 3.24Å; S251-W253 PolarHBondContact OG-N 3.47Å; S251-W253 VanDerWaalsContact OG-N 3.13Å; S251-D254 PolarHBondContact N-OD2 3.49Å; S251-D254 WeakPolarHBondContact O-CB 3.45Å; S251-D254 PolarHBondContact O-N 3.32Å
252Y92.9Very high92.3Very high27 Ų2769.3 Ų69.311%0.10636%0.356CS..G310 helixtrans-56.6-37.9170.7179-86.7000111.3D183 M184 P185 E216 D254 R255D183-Y252 HydrophobicContact CB-CD2 4.48Å; D183-Y252 VanDerWaalsContact O-CD2 3.29Å; D183-Y252 WeakPolarHBondContact O-CD2 3.39Å; M184-Y252 HydrophobicContact CB-CE1 4.16Å; M184-Y252 HydrophobicContact CB-CE2 4.02Å; M184-Y252 HydrophobicContact CE-CE1 4.06Å; M184-Y252 HydrophobicContact CG-CD1 4.36Å; M184-Y252 HydrophobicContact CG-CE1 3.64Å; M184-Y252 HydrophobicContact CG-CE2 4.41Å; P185-Y252 VanDerWaalsContact CD-CG 3.47Å; P185-Y252 HydrophobicContact CG-CD1 4.4Å; P185-Y252 HydrophobicContact CG-CG 4.3Å; E216-Y252 PolarHBondContact OE1-N 3.19Å; Y252-D254 PolarHBondContact O-N 3.47Å; Y252-R255 VanDerWaalsContact CZ-CZ 3.4Å; Y252-R255 WeakPolarHBondContact O-CG 3.48Å; Y252-R255 PolarHBondContact O-NE 3.13Å; Y252-R255 PolarHBondContact OH-NH1 3.06Å
253W94.9Very high92.4Very high1 Ų165.9 Ų65.90%0.00434%0.338CS..G310 helixtrans-77.3-5.6-174.7-57.9112.5000113.9M184 P185 L186 L213 V214 L215 W220 S251 R255 C256 L262M184-W253 HydrophobicContact CE-CH2 3.88Å; M184-W253 HydrophobicContact CE-CZ3 4.06Å; M184-W253 HydrophobicContact CG-CH2 4.11Å; P185-W253 HydrophobicContact CG-CZ2 3.83Å; L186-W253 HydrophobicContact CD2-CH2 4.26Å; L186-W253 HydrophobicContact CD2-CZ2 4.45Å; L213-W253 HydrophobicContact CB-CH2 4.1Å; L213-W253 HydrophobicContact CB-CZ2 3.66Å; L213-W253 HydrophobicContact CD1-CH2 3.91Å; L213-W253 HydrophobicContact CD1-CZ2 4.22Å; L213-W253 HydrophobicContact CD1-CZ3 4.14Å; L213-W253 HydrophobicContact CD2-CH2 3.78Å; L213-W253 HydrophobicContact CD2-CZ2 4.15Å; L213-W253 HydrophobicContact CG-CH2 4.15Å; L213-W253 HydrophobicContact CG-CZ2 4.22Å; V214-W253 PolarHBondContact O-NE1 3.48Å; L215-W253 HydrophobicContact CD2-CG 4.08Å; W220-W253 HydrophobicContact CH2-CB 4.11Å; W220-W253 HydrophobicContact CZ2-CB 3.63Å; S251-W253 PolarHBondContact O-N 3.24Å; S251-W253 PolarHBondContact OG-N 3.47Å; S251-W253 VanDerWaalsContact OG-N 3.13Å; W253-R255 PolarHBondContact O-N 3.42Å; W253-C256 PolarHBondContact O-N 2.87Å; W253-L262 HydrophobicContact CB-CD1 3.97Å
254D94.4Very high92.5Very high19 Ų1963 Ų6310%0.10232%0.323CS..G310 helixtrans-57.6-25.4175.2-73.7-28000112.2R240 S249 S250 S251 Y252 C256 M257R240-D254 WeakPolarHBondContact CD-OD1 3.44Å; R240-D254 IonicContact CZ-OD1 3.86Å; R240-D254 IonicContact NE-OD1 2.82Å; R240-D254 PolarHBondContact NE-OD1 3.01Å; S249-D254 WeakPolarHBondContact CA-OD2 3.37Å; S249-D254 PolarHBondContact N-OD2 3.1Å; S250-D254 PolarHBondContact N-OD2 3.28Å; S250-D254 VanDerWaalsContact N-OD2 3.15Å; S251-D254 PolarHBondContact N-OD2 3.49Å; S251-D254 WeakPolarHBondContact O-CB 3.45Å; S251-D254 PolarHBondContact O-N 3.32Å; Y252-D254 PolarHBondContact O-N 3.47Å; D254-C256 VanDerWaalsContact C-N 3.27Å; D254-C256 PolarHBondContact O-N 3.04Å; D254-M257 HydrophobicContact CB-CE 3.62Å; D254-M257 WeakPolarHBondContact O-CB 3.38Å; D254-M257 PolarHBondContact O-N 2.68Å; D254-M257 WeakPolarHBondContact OD1-CE 3.28Å; D254-M257 VanDerWaalsContact OD1-SD 3.39Å
255R92.9Very high92.6Very high151 Ų15158.1 Ų58.157%0.5730%0.299SS*.G310 helixtrans-68-21.217574.8-172.868.2-162.1-6.2114.5Y252 W253Y252-R255 VanDerWaalsContact CZ-CZ 3.4Å; Y252-R255 WeakPolarHBondContact O-CG 3.48Å; Y252-R255 PolarHBondContact O-NE 3.13Å; Y252-R255 PolarHBondContact OH-NH1 3.06Å; W253-R255 PolarHBondContact O-N 3.42Å
256C94.3Very high92.6Very high1 Ų150.7 Ų50.71%0.00727%0.273CS..G310 helixtrans-103.713.3-179.7-60.20000111.8W253 D254 L262 S263 V267W253-C256 PolarHBondContact O-N 2.87Å; D254-C256 VanDerWaalsContact C-N 3.27Å; D254-C256 PolarHBondContact O-N 3.04Å; C256-L262 HydrophobicContact CB-CD1 3.63Å; C256-S263 PolarHBondContact O-N 3.16Å; C256-V267 HydrophobicContact CB-CG2 3.78Å
257M93.6Very high92.6Very high34 Ų3446 Ų4617%0.16725%0.253CS..EExtended strand (participates in β ladder)trans-83.2135.2180-70.9-169.5-54.500112.4W220 R240 R248 D254 Y261W220-M257 HydrophobicContact CH2-CG 3.65Å; W220-M257 HydrophobicContact CH2-SD 3.66Å; W220-M257 HydrophobicContact CZ3-CG 4.09Å; W220-M257 HydrophobicContact CZ3-SD 4.05Å; R240-M257 HydrophobicContact CB-SD 3.57Å; R240-M257 VanDerWaalsContact CB-SD 3.57Å; R240-M257 HydrophobicContact CG-CE 4.46Å; R240-M257 HydrophobicContact CG-SD 3.5Å; R240-M257 VanDerWaalsContact CG-SD 3.5Å; R248-M257 HydrophobicContact CG-CE 3.96Å; D254-M257 HydrophobicContact CB-CE 3.62Å; D254-M257 WeakPolarHBondContact O-CB 3.38Å; D254-M257 PolarHBondContact O-N 2.68Å; D254-M257 WeakPolarHBondContact OD1-CE 3.28Å; D254-M257 VanDerWaalsContact OD1-SD 3.39Å; M257-Y261 CarbonylContact C-O 3.55Å; M257-Y261 VanDerWaalsContact CA-O 3.25Å; M257-Y261 WeakPolarHBondContact CA-O 3.49Å
258V92.8Very high92.6Very high56 Ų5643.4 Ų43.434%0.33923%0.234SC..EExtended strand (participates in β ladder)trans-131.1119.5172.6-176.90000108.2G260 Y261 S266 N343V258-G260 VanDerWaalsContact C-N 3.26Å; V258-G260 PolarHBondContact O-N 3.32Å; V258-Y261 PolarHBondContact N-O 2.86Å; V258-Y261 PolarHBondContact O-N 3.35Å; V258-Y261 VanDerWaalsContact O-N 3.14Å; V258-S266 WeakPolarHBondContact CG2-OG 3.29Å; V258-N343 PolarHBondContact O-ND2 3.13Å
259G90.3Very high92.8Very high71 Ų7139.1 Ų39.173%0.73222%0.222SC*.THydrogen-bonded Turntrans63.225.1177.900000115.2Y261G259-Y261 VanDerWaalsContact O-CD2 3.3Å; G259-Y261 WeakPolarHBondContact O-CD2 3.26Å; G259-Y261 WeakPolarHBondContact O-CE2 3.17Å
260G92.7Very high93Very high18 Ų1836 Ų3619%0.18620%0.199CC..THydrogen-bonded Turntrans86.34.9-177.500000114.8R240 V258R240-G260 WeakPolarHBondContact CB-O 3.36Å; R240-G260 PolarHBondContact N-O 3.22Å; V258-G260 VanDerWaalsContact C-N 3.26Å; V258-G260 PolarHBondContact O-N 3.32Å
261Y95.3Very high92.9Very high66 Ų6633.8 Ų33.826%0.25918%0.182SC..EExtended strand (participates in β ladder)trans-117.3148.4176.1-57.5-84.7000110.6I223 L237 V238 R239 M257 V258 G259 S263I223-Y261 HydrophobicContact CD1-CE1 4.36Å; L237-Y261 HydrophobicContact CB-CD1 3.83Å; L237-Y261 HydrophobicContact CB-CE1 4.03Å; L237-Y261 HydrophobicContact CD1-CD1 4.02Å; L237-Y261 HydrophobicContact CD1-CE1 3.69Å; L237-Y261 HydrophobicContact CD2-CD1 4.33Å; L237-Y261 HydrophobicContact CD2-CG 4.45Å; L237-Y261 HydrophobicContact CG-CD1 4.31Å; L237-Y261 HydrophobicContact CG-CE1 4.4Å; V238-Y261 CarbonylContact O-C 3.41Å; V238-Y261 WeakPolarHBondContact O-CA 3.49Å; R239-Y261 HydrophobicContact CB-CD1 3.86Å; R239-Y261 HydrophobicContact CB-CE1 3.8Å; R239-Y261 HydrophobicContact CG-CD1 4.21Å; R239-Y261 HydrophobicContact CG-CE1 3.9Å; M257-Y261 CarbonylContact C-O 3.55Å; M257-Y261 VanDerWaalsContact CA-O 3.25Å; M257-Y261 WeakPolarHBondContact CA-O 3.49Å; V258-Y261 PolarHBondContact N-O 2.86Å; V258-Y261 PolarHBondContact O-N 3.35Å; V258-Y261 VanDerWaalsContact O-N 3.14Å; G259-Y261 VanDerWaalsContact O-CD2 3.3Å; G259-Y261 WeakPolarHBondContact O-CD2 3.26Å; G259-Y261 WeakPolarHBondContact O-CE2 3.17Å; Y261-S263 PolarHBondContact O-N 2.71Å
262L95.8Very high92.6Very high0 Ų036.9 Ų36.90%020%0.199CC..EExtended strand (participates in β ladder)trans-73.7112.9170.7-179.960.6000109.1L215 W220 V238 W253 C256 V267 L321 W345L215-L262 HydrophobicContact CD2-CD2 3.88Å; W220-L262 HydrophobicContact CE3-CB 4.2Å; W220-L262 HydrophobicContact CH2-CB 4.25Å; W220-L262 HydrophobicContact CH2-CD1 4.41Å; W220-L262 HydrophobicContact CZ3-CB 3.67Å; V238-L262 HydrophobicContact CB-CB 4.07Å; V238-L262 HydrophobicContact CG1-CB 3.99Å; V238-L262 HydrophobicContact CG1-CD2 4.23Å; V238-L262 PolarHBondContact O-N 3.4Å; W253-L262 HydrophobicContact CB-CD1 3.97Å; C256-L262 HydrophobicContact CB-CD1 3.63Å; L262-V267 HydrophobicContact CD1-CG2 3.99Å; L262-V267 HydrophobicContact CG-CG2 4.42Å; L262-L321 HydrophobicContact CD2-CD1 4.08Å; L262-W345 HydrophobicContact CD2-CZ2 3.94Å; L262-W345 HydrophobicContact CG-CZ2 3.97Å; L262-W345 PolarHBondContact O-NE1 3Å
263S94.6Very high92.4Very high0 Ų042.3 Ų42.30%022%0.222CC..  trans-84.2121.7-178177.70000110.9C256 Y261 K265 S266 V267 E342 N343C256-S263 PolarHBondContact O-N 3.16Å; Y261-S263 PolarHBondContact O-N 2.71Å; S263-K265 PolarHBondContact O-N 2.9Å; S263-K265 PolarHBondContact OG-N 3.28Å; S263-S266 WeakPolarHBondContact CB-OG 3.21Å; S263-S266 PolarHBondContact O-N 2.75Å; S263-S266 PolarHBondContact OG-N 3.17Å; S263-V267 WeakPolarHBondContact O-CG2 3.41Å; S263-V267 PolarHBondContact O-N 3.4Å; S263-E342 PolarHBondContact OG-O 2.91Å; S263-E342 VanDerWaalsContact OG-O 3.07Å; S263-N343 WeakPolarHBondContact CB-OD1 3.21Å; S263-N343 PolarHBondContact OG-OD1 2.85Å
264P94.2Very high91.9Very high5 Ų543.2 Ų43.23%0.03223%0.228CC..Hα-helixtrans-62.3-32.1171.824.7-30.6000111.7V267 L268 A331 E342 L344 W345P264-V267 PolarHBondContact O-N 2.94Å; P264-L268 WeakPolarHBondContact O-CB 3.07Å; P264-L268 VanDerWaalsContact O-CG 3.26Å; P264-L268 WeakPolarHBondContact O-CG 3.37Å; P264-L268 PolarHBondContact O-N 2.79Å; P264-A331 HydrophobicContact CB-CB 3.7Å; P264-E342 WeakPolarHBondContact CD-O 3.45Å; P264-E342 WeakPolarHBondContact CG-O 3.37Å; P264-L344 WeakPolarHBondContact CG-O 3.32Å; P264-W345 HydrophobicContact CB-CD2 3.94Å; P264-W345 HydrophobicContact CB-CE3 4.34Å; P264-W345 HydrophobicContact CB-CG 4.35Å; P264-W345 HydrophobicContact CB-CH2 4.35Å; P264-W345 HydrophobicContact CB-CZ2 3.95Å; P264-W345 HydrophobicContact CG-CD2 4.37Å; P264-W345 HydrophobicContact CG-CG 4.27Å
265K91.9Very high91.4Very high79 Ų7942.7 Ų42.734%0.34323%0.225SC..Hα-helixtrans-62.7-49175-178178.8173.2177.10111.3S263 V267 L268 E269 E342S263-K265 PolarHBondContact O-N 2.9Å; S263-K265 PolarHBondContact OG-N 3.28Å; K265-V267 VanDerWaalsContact C-N 3.28Å; K265-V267 PolarHBondContact O-N 2.87Å; K265-L268 WeakPolarHBondContact O-CB 3.35Å; K265-L268 PolarHBondContact O-N 3.16Å; K265-L268 VanDerWaalsContact O-N 3.15Å; K265-E269 WeakPolarHBondContact CE-OE1 3.41Å; K265-E269 WeakPolarHBondContact O-CG 3.45Å; K265-E269 PolarHBondContact O-N 3.16Å; K265-E342 HydrophobicContact CB-CB 4.33Å; K265-E342 HydrophobicContact CD-CB 4.07Å; K265-E342 HydrophobicContact CD-CG 3.89Å; K265-E342 IonicContact NZ-OE1 3.93Å; K265-E342 PolarHBondContact NZ-OE1 3.3Å; K265-E342 IonicContact NZ-OE2 3.78Å
266S92.5Very high90.8Very high24 Ų2437.2 Ų37.217%0.16821%0.212CC..Hα-helixtrans-63.1-35.8177-56.40000112.5V258 S263 E269 V270V258-S266 WeakPolarHBondContact CG2-OG 3.29Å; S263-S266 WeakPolarHBondContact CB-OG 3.21Å; S263-S266 PolarHBondContact O-N 2.75Å; S263-S266 PolarHBondContact OG-N 3.17Å; S266-E269 PolarHBondContact O-N 2.78Å; S266-V270 WeakPolarHBondContact O-CG2 3.01Å; S266-V270 PolarHBondContact O-N 2.99Å; S266-V270 VanDerWaalsContact O-N 3.11Å
267V93.1Very high90.2Very high0 Ų040.1 Ų40.10%024%0.242CC..Hα-helixtrans-61.9-49.3172.1170.90000110.7L213 C256 L262 S263 P264 K265 E269 V270 F271 P319 W345L213-V267 HydrophobicContact CD1-CG1 3.89Å; C256-V267 HydrophobicContact CB-CG2 3.78Å; L262-V267 HydrophobicContact CD1-CG2 3.99Å; L262-V267 HydrophobicContact CG-CG2 4.42Å; S263-V267 WeakPolarHBondContact O-CG2 3.41Å; S263-V267 PolarHBondContact O-N 3.4Å; P264-V267 PolarHBondContact O-N 2.94Å; K265-V267 VanDerWaalsContact C-N 3.28Å; K265-V267 PolarHBondContact O-N 2.87Å; V267-E269 VanDerWaalsContact C-N 3.32Å; V267-E269 PolarHBondContact O-N 3.42Å; V267-V270 PolarHBondContact O-N 3.22Å; V267-F271 HydrophobicContact CG1-CD2 3.73Å; V267-F271 HydrophobicContact CG1-CE2 3.66Å; V267-F271 VanDerWaalsContact O-CD2 3.27Å; V267-F271 WeakPolarHBondContact O-CD2 3.49Å; V267-F271 PolarHBondContact O-N 3.24Å; V267-P319 HydrophobicContact CG1-CB 3.97Å; V267-P319 HydrophobicContact CG1-CG 4.13Å; V267-W345 HydrophobicContact CG1-CH2 4.47Å; V267-W345 HydrophobicContact CG2-CH2 4.36Å; V267-W345 HydrophobicContact CG2-CZ2 4.17Å
268L91.6Very high89.8Confident21 Ų2141.5 Ų41.511%0.1126%0.255CS..Hα-helixtrans-59-41.9177.4-72.1169.2000111.8P264 K265 V270 F271 D272 L301 P319 A331P264-L268 WeakPolarHBondContact O-CB 3.07Å; P264-L268 VanDerWaalsContact O-CG 3.26Å; P264-L268 WeakPolarHBondContact O-CG 3.37Å; P264-L268 PolarHBondContact O-N 2.79Å; K265-L268 WeakPolarHBondContact O-CB 3.35Å; K265-L268 PolarHBondContact O-N 3.16Å; K265-L268 VanDerWaalsContact O-N 3.15Å; L268-V270 VanDerWaalsContact C-N 3.33Å; L268-V270 PolarHBondContact O-N 2.84Å; L268-F271 CarbonylContact O-C 3.59Å; L268-F271 PolarHBondContact O-N 3.24Å; L268-D272 WeakPolarHBondContact O-CB 3.33Å; L268-D272 PolarHBondContact O-N 2.62Å; L268-L301 HydrophobicContact CD2-CD1 3.67Å; L268-L301 HydrophobicContact CD2-CG 4.06Å; L268-P319 HydrophobicContact CD2-CG 3.96Å; L268-A331 HydrophobicContact CD1-CB 4.34Å; L268-A331 HydrophobicContact CD2-CB 4.2Å; L268-A331 HydrophobicContact CG-CB 4.06Å
269E90.2Very high89.5Confident87 Ų8739.5 Ų39.541%0.40724%0.242SC..Hα-helixtrans-63-36.1176.7-73174.1-169.100113.1K265 S266 V267 K273K265-E269 WeakPolarHBondContact CE-OE1 3.41Å; K265-E269 WeakPolarHBondContact O-CG 3.45Å; K265-E269 PolarHBondContact O-N 3.16Å; S266-E269 PolarHBondContact O-N 2.78Å; V267-E269 VanDerWaalsContact C-N 3.32Å; V267-E269 PolarHBondContact O-N 3.42Å; E269-K273 VanDerWaalsContact O-CG 3.32Å; E269-K273 WeakPolarHBondContact O-CG 3.42Å; E269-K273 PolarHBondContact O-N 3.42Å; E269-K273 VanDerWaalsContact O-N 3.17Å
270V90Very high89.4Confident39 Ų3941 Ų4124%0.23623%0.233CC..Hα-helixtrans-65.3-47.3173.7169.30000110M184 S266 V267 L268 D272 K273 L274M184-V270 HydrophobicContact CE-CG1 4.25Å; S266-V270 WeakPolarHBondContact O-CG2 3.01Å; S266-V270 PolarHBondContact O-N 2.99Å; S266-V270 VanDerWaalsContact O-N 3.11Å; V267-V270 PolarHBondContact O-N 3.22Å; L268-V270 VanDerWaalsContact C-N 3.33Å; L268-V270 PolarHBondContact O-N 2.84Å; V270-D272 VanDerWaalsContact C-N 3.33Å; V270-D272 PolarHBondContact O-N 2.72Å; V270-K273 PolarHBondContact O-N 3.03Å; V270-L274 HydrophobicContact CG1-CD1 4.1Å; V270-L274 WeakPolarHBondContact O-CD1 3.31Å; V270-L274 VanDerWaalsContact O-CG 3.29Å; V270-L274 WeakPolarHBondContact O-CG 3.45Å; V270-L274 PolarHBondContact O-N 3.09Å
271F88.8Confident89.3Confident5 Ų540.5 Ų40.52%0.02223%0.226CC..Hα-helixtrans-66.2-34177.5-80.7-74.5000112.5M184 L186 V211 L213 V267 L268 L274 V275 L301 P319M184-F271 HydrophobicContact CE-CE1 3.93Å; M184-F271 HydrophobicContact CE-CE2 4.01Å; M184-F271 HydrophobicContact CE-CZ 3.6Å; M184-F271 HydrophobicContact SD-CE1 4.29Å; M184-F271 HydrophobicContact SD-CZ 4.26Å; L186-F271 HydrophobicContact CD2-CZ 4.09Å; V211-F271 HydrophobicContact CG1-CE1 3.89Å; V211-F271 HydrophobicContact CG1-CZ 3.76Å; L213-F271 HydrophobicContact CD2-CE2 3.86Å; L213-F271 HydrophobicContact CD2-CZ 3.69Å; V267-F271 HydrophobicContact CG1-CD2 3.73Å; V267-F271 HydrophobicContact CG1-CE2 3.66Å; V267-F271 VanDerWaalsContact O-CD2 3.27Å; V267-F271 WeakPolarHBondContact O-CD2 3.49Å; V267-F271 PolarHBondContact O-N 3.24Å; L268-F271 CarbonylContact O-C 3.59Å; L268-F271 PolarHBondContact O-N 3.24Å; F271-L274 WeakPolarHBondContact O-CB 3.32Å; F271-L274 PolarHBondContact O-N 3Å; F271-V275 VanDerWaalsContact O-CB 3.31Å; F271-V275 WeakPolarHBondContact O-CB 3.45Å; F271-V275 VanDerWaalsContact O-CG2 3.26Å; F271-V275 WeakPolarHBondContact O-CG2 3.3Å; F271-V275 PolarHBondContact O-N 2.86Å; F271-L301 HydrophobicContact CB-CD1 3.31Å; F271-L301 HydrophobicContact CB-CD2 4.33Å; F271-L301 HydrophobicContact CB-CG 4.45Å; F271-L301 HydrophobicContact CG-CD1 4.21Å; F271-P319 HydrophobicContact CD2-CG 3.96Å; F271-P319 HydrophobicContact CE2-CB 4.31Å; F271-P319 HydrophobicContact CE2-CG 4.08Å
272D88.4Confident89.1Confident71 Ų7141.6 Ų41.638%0.3824%0.242SC..Hα-helixtrans-64.4-46.3178.4-171.251.2000110.9L268 V270 L274 V275 A276 L301L268-D272 WeakPolarHBondContact O-CB 3.33Å; L268-D272 PolarHBondContact O-N 2.62Å; V270-D272 VanDerWaalsContact C-N 3.33Å; V270-D272 PolarHBondContact O-N 2.72Å; D272-L274 PolarHBondContact O-N 3.01Å; D272-V275 PolarHBondContact O-N 3.34Å; D272-A276 VanDerWaalsContact O-CB 3.29Å; D272-A276 WeakPolarHBondContact O-CB 3.49Å; D272-A276 PolarHBondContact O-N 2.7Å; D272-L301 HydrophobicContact CB-CD2 3.5Å; D272-L301 VanDerWaalsContact N-CD2 3.34Å
273K87.7Confident88.9Confident140 Ų14043.8 Ų43.861%0.60926%0.259SS*.Hα-helixtrans-60-32174.8-70.8170.2-174.2168.90112.6E269 V270 G277 S278E269-K273 VanDerWaalsContact O-CG 3.32Å; E269-K273 WeakPolarHBondContact O-CG 3.42Å; E269-K273 PolarHBondContact O-N 3.42Å; E269-K273 VanDerWaalsContact O-N 3.17Å; V270-K273 PolarHBondContact O-N 3.03Å; K273-G277 CarbonylContact O-C 3.59Å; K273-G277 VanDerWaalsContact O-CA 3.24Å; K273-G277 WeakPolarHBondContact O-CA 3.44Å; K273-G277 PolarHBondContact O-N 2.66Å; K273-S278 PolarHBondContact O-N 3.13Å; K273-S278 PolarHBondContact O-OG 3.47Å
274L85.6Confident88.6Confident21 Ų2144.8 Ų44.811%0.1126%0.264CS..Hα-helixtrans-76.6-53.7176.7-66.4164.4000111.2L177 L181 M184 V270 F271 D272 S278 I279L177-L274 HydrophobicContact CD2-CD1 4.32Å; L181-L274 HydrophobicContact CD1-CD1 3.31Å; L181-L274 HydrophobicContact CD1-CD2 3.67Å; L181-L274 HydrophobicContact CD1-CG 4.12Å; L181-L274 HydrophobicContact CG-CD2 4.3Å; M184-L274 HydrophobicContact CE-CD1 4.5Å; V270-L274 HydrophobicContact CG1-CD1 4.1Å; V270-L274 WeakPolarHBondContact O-CD1 3.31Å; V270-L274 VanDerWaalsContact O-CG 3.29Å; V270-L274 WeakPolarHBondContact O-CG 3.45Å; V270-L274 PolarHBondContact O-N 3.09Å; F271-L274 WeakPolarHBondContact O-CB 3.32Å; F271-L274 PolarHBondContact O-N 3Å; D272-L274 PolarHBondContact O-N 3.01Å; L274-S278 WeakPolarHBondContact O-CA 3.26Å; L274-S278 VanDerWaalsContact O-CB 3.28Å; L274-S278 WeakPolarHBondContact O-CB 3.41Å; L274-S278 PolarHBondContact O-N 2.56Å; L274-I279 PolarHBondContact O-N 3.31Å
275V82.9Confident88.5Confident7 Ų744.7 Ų44.74%0.04227%0.265CS..Hα-helixtrans-66.7-55.9-175.4171.80000110F271 D272 W281 L303F271-V275 VanDerWaalsContact O-CB 3.31Å; F271-V275 WeakPolarHBondContact O-CB 3.45Å; F271-V275 VanDerWaalsContact O-CG2 3.26Å; F271-V275 WeakPolarHBondContact O-CG2 3.3Å; F271-V275 PolarHBondContact O-N 2.86Å; D272-V275 PolarHBondContact O-N 3.34Å; V275-W281 HydrophobicContact CB-CZ2 4.39Å; V275-W281 HydrophobicContact CG1-CH2 4.44Å; V275-W281 HydrophobicContact CG1-CZ2 3.6Å; V275-W281 WeakPolarHBondContact O-CZ2 3.39Å; V275-W281 PolarHBondContact O-NE1 3.25Å; V275-L303 HydrophobicContact CG1-CD2 3.99Å; V275-L303 HydrophobicContact CG1-CG 4.49Å
276A81.3Confident88.4Confident36 Ų3645.8 Ų45.830%0.29828%0.282SS..Hα-helixtrans-77.4-35.6-178.400000113D272 P294D272-A276 VanDerWaalsContact O-CB 3.29Å; D272-A276 WeakPolarHBondContact O-CB 3.49Å; D272-A276 PolarHBondContact O-N 2.7Å; A276-P294 HydrophobicContact CB-CB 4.36Å
277G80.1Confident88.4Confident63 Ų6350 Ų5065%0.64931%0.307SS*.Hα-helixtrans-98.2-27.2-168.300000116.2K273K273-G277 CarbonylContact O-C 3.59Å; K273-G277 VanDerWaalsContact O-CA 3.24Å; K273-G277 WeakPolarHBondContact O-CA 3.44Å; K273-G277 PolarHBondContact O-N 2.66Å
278S85.3Confident88.2Confident63 Ų6351.6 Ų51.644%0.44132%0.315SS..Hα-helixtrans-111.2-19.4-169.6-53.90000114.1F176 K273 L274F176-S278 WeakPolarHBondContact CZ-O 3.27Å; K273-S278 PolarHBondContact O-N 3.13Å; K273-S278 PolarHBondContact O-OG 3.47Å; L274-S278 WeakPolarHBondContact O-CA 3.26Å; L274-S278 VanDerWaalsContact O-CB 3.28Å; L274-S278 WeakPolarHBondContact O-CB 3.41Å; L274-S278 PolarHBondContact O-N 2.56Å
279I87.4Confident88.3Confident13 Ų1357.6 Ų57.67%0.06735%0.347CS..  trans-92.5132.1-176.7-64.2177.1000110.5L173 F176 L274 W281 I284L173-I279 HydrophobicContact CD2-CD1 3.28Å; F176-I279 HydrophobicContact CD1-CD1 3.68Å; F176-I279 HydrophobicContact CD1-CG1 3.5Å; F176-I279 HydrophobicContact CD2-CG1 4.18Å; F176-I279 HydrophobicContact CE1-CD1 3.81Å; F176-I279 HydrophobicContact CE1-CG1 3.19Å; F176-I279 HydrophobicContact CE2-CG1 3.91Å; F176-I279 HydrophobicContact CG-CD1 4.26Å; F176-I279 HydrophobicContact CG-CG1 3.98Å; F176-I279 HydrophobicContact CZ-CB 4.32Å; F176-I279 HydrophobicContact CZ-CD1 4.45Å; F176-I279 HydrophobicContact CZ-CG1 3.4Å; L274-I279 PolarHBondContact O-N 3.31Å; I279-W281 HydrophobicContact CB-CD2 4.3Å; I279-W281 HydrophobicContact CB-CZ2 3.89Å; I279-W281 HydrophobicContact CD1-CH2 3.83Å; I279-W281 HydrophobicContact CD1-CZ2 3.56Å; I279-W281 HydrophobicContact CG1-CZ2 4.3Å; I279-W281 HydrophobicContact CG2-CD2 3.62Å; I279-W281 HydrophobicContact CG2-CE3 3.83Å; I279-W281 HydrophobicContact CG2-CG 4.16Å; I279-W281 HydrophobicContact CG2-CH2 4Å; I279-W281 HydrophobicContact CG2-CZ2 3.75Å; I279-W281 HydrophobicContact CG2-CZ3 4.03Å; I279-W281 PolarHBondContact O-N 3.33Å; I279-W281 VanDerWaalsContact O-N 3.13Å; I279-I284 HydrophobicContact CG2-CD1 3.52Å
280N89.1Confident88.4Confident102 Ų10255 Ų5555%0.54533%0.334SS..  trans-8479.9170.3-171.5-10000110.1P282 A283 I284N280-P282 VanDerWaalsContact OD1-CD 3.31Å; N280-P282 WeakPolarHBondContact OD1-CD 3.49Å; N280-A283 HydrophobicContact CB-CB 4.09Å; N280-A283 WeakPolarHBondContact O-CB 3.48Å; N280-A283 PolarHBondContact O-N 3.5Å; N280-A283 VanDerWaalsContact O-N 3.1Å; N280-A283 PolarHBondContact OD1-N 3.42Å; N280-I284 PolarHBondContact O-N 2.83Å
281W90.6Very high88.6Confident8 Ų857 Ų573%0.0334%0.343CS..Hα-helixtrans-55.7-40.2178.9-63.3109.1000114.5L173 V275 I279 A283 I284 G285 I292 L303L173-W281 HydrophobicContact CD1-CH2 3.99Å; L173-W281 HydrophobicContact CD2-CH2 3.64Å; L173-W281 HydrophobicContact CD2-CZ2 4.38Å; L173-W281 HydrophobicContact CD2-CZ3 4.42Å; L173-W281 HydrophobicContact CG-CH2 3.95Å; L173-W281 HydrophobicContact CG-CZ3 4.4Å; V275-W281 HydrophobicContact CB-CZ2 4.39Å; V275-W281 HydrophobicContact CG1-CH2 4.44Å; V275-W281 HydrophobicContact CG1-CZ2 3.6Å; V275-W281 WeakPolarHBondContact O-CZ2 3.39Å; V275-W281 PolarHBondContact O-NE1 3.25Å; I279-W281 HydrophobicContact CB-CD2 4.3Å; I279-W281 HydrophobicContact CB-CZ2 3.89Å; I279-W281 HydrophobicContact CD1-CH2 3.83Å; I279-W281 HydrophobicContact CD1-CZ2 3.56Å; I279-W281 HydrophobicContact CG1-CZ2 4.3Å; I279-W281 HydrophobicContact CG2-CD2 3.62Å; I279-W281 HydrophobicContact CG2-CE3 3.83Å; I279-W281 HydrophobicContact CG2-CG 4.16Å; I279-W281 HydrophobicContact CG2-CH2 4Å; I279-W281 HydrophobicContact CG2-CZ2 3.75Å; I279-W281 HydrophobicContact CG2-CZ3 4.03Å; I279-W281 PolarHBondContact O-N 3.33Å; I279-W281 VanDerWaalsContact O-N 3.13Å; W281-A283 VanDerWaalsContact C-N 3.27Å; W281-A283 PolarHBondContact O-N 3.14Å; W281-I284 HydrophobicContact CE3-CD1 4.2Å; W281-I284 HydrophobicContact CZ3-CD1 4.21Å; W281-I284 PolarHBondContact O-N 3.39Å; W281-G285 PolarHBondContact O-N 3.43Å; W281-I292 HydrophobicContact CB-CB 4.4Å; W281-I292 HydrophobicContact CB-CG2 4.38Å; W281-I292 HydrophobicContact CD2-CG2 4.01Å; W281-I292 HydrophobicContact CE3-CB 4.31Å; W281-I292 HydrophobicContact CE3-CG2 3.49Å; W281-I292 VanDerWaalsContact CE3-CG2 3.49Å; W281-I292 HydrophobicContact CG-CG2 4.41Å; W281-I292 HydrophobicContact CZ3-CG2 4.1Å; W281-L303 HydrophobicContact CD2-CD2 4.25Å; W281-L303 HydrophobicContact CE3-CD1 4.34Å; W281-L303 HydrophobicContact CH2-CD1 3.27Å; W281-L303 HydrophobicContact CH2-CD2 4.02Å; W281-L303 HydrophobicContact CH2-CG 4.27Å; W281-L303 HydrophobicContact CZ2-CD1 3.82Å; W281-L303 HydrophobicContact CZ2-CD2 3.68Å; W281-L303 HydrophobicContact CZ2-CG 4.37Å; W281-L303 HydrophobicContact CZ3-CD1 3.59Å; W281-L303 HydrophobicContact CZ3-CD2 4.48Å
282P91.1Very high88.8Confident90 Ų9057.1 Ų57.158%0.58434%0.343SS*.Hα-helixtrans-58.6-36.4174.2-27.735.4000114N280 S286N280-P282 VanDerWaalsContact OD1-CD 3.31Å; N280-P282 WeakPolarHBondContact OD1-CD 3.49Å; P282-S286 WeakPolarHBondContact O-CB 3.32Å; P282-S286 PolarHBondContact O-N 3.28Å; P282-S286 PolarHBondContact O-OG 3.43Å
283A90.4Very high88.9Confident45 Ų4559.4 Ų59.437%0.37235%0.347SS..Hα-helixtrans-69-45.7177.700000111.7N280 W281 G285 S286 V287N280-A283 HydrophobicContact CB-CB 4.09Å; N280-A283 WeakPolarHBondContact O-CB 3.48Å; N280-A283 PolarHBondContact O-N 3.5Å; N280-A283 VanDerWaalsContact O-N 3.1Å; N280-A283 PolarHBondContact OD1-N 3.42Å; W281-A283 VanDerWaalsContact C-N 3.27Å; W281-A283 PolarHBondContact O-N 3.14Å; A283-G285 VanDerWaalsContact C-N 3.33Å; A283-G285 PolarHBondContact O-N 3.44Å; A283-S286 PolarHBondContact O-N 3.31Å; A283-V287 WeakPolarHBondContact O-CG2 3.34Å; A283-V287 PolarHBondContact O-N 2.85Å
284I89Confident89Confident21 Ų2154.8 Ų54.811%0.10833%0.331CS..Hα-helixtrans-61.2-45.4175.2-63.6176.6000110.1E172 I279 N280 W281 S286 V287 L288 I292E172-I284 HydrophobicContact CB-CD1 4.5Å; E172-I284 HydrophobicContact CB-CG2 4.07Å; E172-I284 HydrophobicContact CG-CG2 4.07Å; I279-I284 HydrophobicContact CG2-CD1 3.52Å; N280-I284 PolarHBondContact O-N 2.83Å; W281-I284 HydrophobicContact CE3-CD1 4.2Å; W281-I284 HydrophobicContact CZ3-CD1 4.21Å; W281-I284 PolarHBondContact O-N 3.39Å; I284-S286 VanDerWaalsContact C-N 3.3Å; I284-S286 PolarHBondContact O-N 3.24Å; I284-V287 PolarHBondContact O-N 2.82Å; I284-V287 VanDerWaalsContact O-N 3.15Å; I284-L288 HydrophobicContact CG2-CD1 3.77Å; I284-L288 HydrophobicContact CG2-CG 4.32Å; I284-L288 WeakPolarHBondContact O-CG 3.47Å; I284-L288 PolarHBondContact O-N 2.94Å; I284-I292 HydrophobicContact CB-CD1 4.48Å; I284-I292 HydrophobicContact CG2-CD1 3.87Å
285G91.3Very high89.1Confident4 Ų456.2 Ų56.24%0.04134%0.341CS..Hα-helixtrans-58.2-40.5176.500000113W281 A283 V287 L288 D289 Y290W281-G285 PolarHBondContact O-N 3.43Å; A283-G285 VanDerWaalsContact C-N 3.33Å; A283-G285 PolarHBondContact O-N 3.44Å; G285-V287 VanDerWaalsContact C-N 3.33Å; G285-V287 PolarHBondContact O-N 3.32Å; G285-L288 PolarHBondContact O-N 3.19Å; G285-D289 CarbonylContact O-C 3.52Å; G285-D289 WeakPolarHBondContact O-CA 3.5Å; G285-D289 PolarHBondContact O-N 3.41Å; G285-Y290 CarbonylContact C-O 3.55Å; G285-Y290 WeakPolarHBondContact CA-O 3.3Å; G285-Y290 PolarHBondContact O-N 2.81Å; G285-Y290 VanDerWaalsContact O-O 3.09Å
286S91.3Very high88.8Confident101 Ų10160.8 Ų60.871%0.70637%0.368SS*.Hα-helixtrans-67.1-32.1177.4-56.80000113.2P282 A283 I284P282-S286 WeakPolarHBondContact O-CB 3.32Å; P282-S286 PolarHBondContact O-N 3.28Å; P282-S286 PolarHBondContact O-OG 3.43Å; A283-S286 PolarHBondContact O-N 3.31Å; I284-S286 VanDerWaalsContact C-N 3.3Å; I284-S286 PolarHBondContact O-N 3.24Å
287V91.3Very high88Confident113 Ų11365.1 Ų65.169%0.68539%0.393SS*.Hα-helixtrans-74.4-38.1177173.30000111.2A283 I284 G285A283-V287 WeakPolarHBondContact O-CG2 3.34Å; A283-V287 PolarHBondContact O-N 2.85Å; I284-V287 PolarHBondContact O-N 2.82Å; I284-V287 VanDerWaalsContact O-N 3.15Å; G285-V287 VanDerWaalsContact C-N 3.33Å; G285-V287 PolarHBondContact O-N 3.32Å
288L90.1Very high87.3Confident33 Ų3364.6 Ų64.617%0.17338%0.38CS..Hα-helixtrans-91.5-3.7-176.9-60.1-179000114.1D168 I169 E172 I284 G285 Y290D168-L288 HydrophobicContact CB-CD1 4.12Å; D168-L288 HydrophobicContact CB-CD2 4.1Å; I169-L288 HydrophobicContact CG1-CD1 4.33Å; E172-L288 HydrophobicContact CG-CD1 4.1Å; E172-L288 HydrophobicContact CG-CD2 4.44Å; I284-L288 HydrophobicContact CG2-CD1 3.77Å; I284-L288 HydrophobicContact CG2-CG 4.32Å; I284-L288 WeakPolarHBondContact O-CG 3.47Å; I284-L288 PolarHBondContact O-N 2.94Å; G285-L288 PolarHBondContact O-N 3.19Å; L288-Y290 VanDerWaalsContact C-N 3.29Å; L288-Y290 HydrophobicContact CB-CD2 3.46Å; L288-Y290 VanDerWaalsContact CB-CD2 3.46Å; L288-Y290 HydrophobicContact CB-CE2 3.74Å; L288-Y290 HydrophobicContact CB-CG 4.1Å; L288-Y290 HydrophobicContact CD1-CD2 4.04Å; L288-Y290 HydrophobicContact CD1-CE2 4.26Å; L288-Y290 HydrophobicContact CG-CD2 4.4Å; L288-Y290 WeakPolarHBondContact O-CE1 3.29Å; L288-Y290 PolarHBondContact O-N 2.67Å
289D91.8Very high86.4Confident148 Ų14869.1 Ų69.179%0.79139%0.394SS*.THydrogen-bonded Turntrans58.137.9-171.4-159.228.2000113.4G285G285-D289 CarbonylContact O-C 3.52Å; G285-D289 WeakPolarHBondContact O-CA 3.5Å; G285-D289 PolarHBondContact O-N 3.41Å
290Y94.2Very high85.6Confident33 Ų3369.6 Ų69.613%0.12940%0.398CS..  trans-121150.5178-57.3-33.4000111.5A165 D168 G285 L288 V305A165-Y290 HydrophobicContact CB-CD2 4.48Å; A165-Y290 HydrophobicContact CB-CE1 4.41Å; A165-Y290 HydrophobicContact CB-CE2 3.81Å; D168-Y290 HydrophobicContact CB-CE2 4.43Å; G285-Y290 CarbonylContact C-O 3.55Å; G285-Y290 WeakPolarHBondContact CA-O 3.3Å; G285-Y290 PolarHBondContact O-N 2.81Å; G285-Y290 VanDerWaalsContact O-O 3.09Å; L288-Y290 VanDerWaalsContact C-N 3.29Å; L288-Y290 HydrophobicContact CB-CD2 3.46Å; L288-Y290 VanDerWaalsContact CB-CD2 3.46Å; L288-Y290 HydrophobicContact CB-CE2 3.74Å; L288-Y290 HydrophobicContact CB-CG 4.1Å; L288-Y290 HydrophobicContact CD1-CD2 4.04Å; L288-Y290 HydrophobicContact CD1-CE2 4.26Å; L288-Y290 HydrophobicContact CG-CD2 4.4Å; L288-Y290 WeakPolarHBondContact O-CE1 3.29Å; L288-Y290 PolarHBondContact O-N 2.67Å; Y290-V305 HydrophobicContact CD2-CG1 4.41Å; Y290-V305 HydrophobicContact CG-CG1 4.34Å
291I93.2Very high85.3Confident80 Ų8065.1 Ų65.141%0.4137%0.373SS..EExtended strand (participates in β ladder)trans-98.2104.6167.6-53.9168.6000108.2R293 Q306I291-R293 HydrophobicContact CG2-CG 4.48Å; I291-Q306 HydrophobicContact CB-CB 4.11Å; I291-Q306 PolarHBondContact N-O 2.64Å; I291-Q306 PolarHBondContact O-N 2.94Å
292I93.3Very high85.4Confident8 Ų865.4 Ų65.44%0.04138%0.376CS..EExtended strand (participates in β ladder)trans-105.7128.1-175.8-52.1170.5000109.7I169 W281 I284 L303 E304 V305I169-I292 HydrophobicContact CD1-CD1 4.19Å; I169-I292 HydrophobicContact CD1-CG1 4.5Å; I169-I292 HydrophobicContact CG1-CD1 4.1Å; W281-I292 HydrophobicContact CB-CB 4.4Å; W281-I292 HydrophobicContact CB-CG2 4.38Å; W281-I292 HydrophobicContact CD2-CG2 4.01Å; W281-I292 HydrophobicContact CE3-CB 4.31Å; W281-I292 HydrophobicContact CE3-CG2 3.49Å; W281-I292 VanDerWaalsContact CE3-CG2 3.49Å; W281-I292 HydrophobicContact CG-CG2 4.41Å; W281-I292 HydrophobicContact CZ3-CG2 4.1Å; I284-I292 HydrophobicContact CB-CD1 4.48Å; I284-I292 HydrophobicContact CG2-CD1 3.87Å; I292-L303 HydrophobicContact CG2-CD1 4.42Å; I292-E304 CarbonylContact C-O 3.57Å; I292-E304 WeakPolarHBondContact CA-O 3.23Å; I292-V305 HydrophobicContact CG1-CG1 4.41Å; I292-V305 HydrophobicContact CG2-CG2 4.45Å
293R90.6Very high85.4Confident118 Ų11861.1 Ų61.145%0.44535%0.348SS..EExtended strand (participates in β ladder)trans-136.3129.9179.2-60.9-176.5179.6103.4-1.4110.8I291 E304I291-R293 HydrophobicContact CG2-CG 4.48Å; R293-E304 PolarHBondContact N-O 2.82Å; R293-E304 PolarHBondContact O-N 2.92Å
294P90.1Very high85.5Confident44 Ų4460.3 Ų60.329%0.28634%0.337SS..EExtended strand (participates in β ladder)trans-69.4134.6168.329.1-31.8000110.4A276 V296 L303A276-P294 HydrophobicContact CB-CB 4.36Å; P294-V296 HydrophobicContact CB-CG2 4.48Å; P294-L303 HydrophobicContact CB-CD2 3.86Å
295V86.3Confident85.8Confident51 Ų5159.3 Ų59.331%0.30933%0.332SS..  trans-83.8116.4176.7-177.80000108.3S298 T302 E304 Y314V295-S298 WeakPolarHBondContact O-CB 3.36Å; V295-T302 HydrophobicContact CG2-CG2 4.17Å; V295-T302 PolarHBondContact N-O 3.14Å; V295-E304 HydrophobicContact CG2-CB 3.99Å; V295-Y314 HydrophobicContact CG2-CD1 4.39Å; V295-Y314 HydrophobicContact CG2-CE1 4.42Å
296V76.7Confident85.9Confident102 Ų10261 Ų6162%0.61834%0.338SS*.SBendtrans-132.1133.8-179.1-174.10000110P294P294-V296 HydrophobicContact CB-CG2 4.48Å
297P66Low85.8Confident127 Ų12756.9 Ų56.983%0.82531%0.308SS*.SBendcis-76.4146.5-9.832.5-33.1000111.1
298S65Low85.6Confident53 Ų5354.9 Ų54.937%0.37129%0.291SS..  trans-134.5138.5173-173.80000110.4V295 T300V295-S298 WeakPolarHBondContact O-CB 3.36Å; S298-T300 WeakPolarHBondContact CB-O 3.3Å; S298-T300 PolarHBondContact O-N 3.47Å; S298-T300 PolarHBondContact OG-N 3.25Å; S298-T300 PolarHBondContact OG-O 2.97Å
299E66.6Low85.4Confident157 Ų15758.9 Ų58.973%0.73432%0.317SS*.SBendtrans-65.7-24.9175.1-66-177.3177.800111.7
300T69.3Low85.1Confident24 Ų2458.9 Ų58.915%0.14732%0.317CS..SBendtrans-122.3149174.250.50000109.6S298 T302S298-T300 WeakPolarHBondContact CB-O 3.3Å; S298-T300 PolarHBondContact O-N 3.47Å; S298-T300 PolarHBondContact OG-N 3.25Å; S298-T300 PolarHBondContact OG-O 2.97Å; T300-T302 PolarHBondContact O-N 3.43Å; T300-T302 PolarHBondContact O-OG1 3.24Å; T300-T302 PolarHBondContact OG1-OG1 3.01Å
301L84.4Confident84.9Confident7 Ų760.8 Ų60.84%0.03732%0.324CS..EExtended strand (participates in β ladder)trans-64.5108.6174.3-65.6161.7000108.9L268 F271 D272 D316 F317L268-L301 HydrophobicContact CD2-CD1 3.67Å; L268-L301 HydrophobicContact CD2-CG 4.06Å; F271-L301 HydrophobicContact CB-CD1 3.31Å; F271-L301 HydrophobicContact CB-CD2 4.33Å; F271-L301 HydrophobicContact CB-CG 4.45Å; F271-L301 HydrophobicContact CG-CD1 4.21Å; D272-L301 HydrophobicContact CB-CD2 3.5Å; D272-L301 VanDerWaalsContact N-CD2 3.34Å; L301-D316 CarbonylContact O-C 3.6Å; L301-D316 WeakPolarHBondContact O-CA 3.28Å; L301-F317 HydrophobicContact CB-CB 3.77Å; L301-F317 HydrophobicContact CB-CD2 4.22Å; L301-F317 HydrophobicContact CB-CG 4.39Å; L301-F317 HydrophobicContact CD1-CB 4.24Å; L301-F317 WeakPolarHBondContact O-CD2 3.4Å; L301-F317 PolarHBondContact O-N 3.19Å
302T91.1Very high84.9Confident14 Ų1463 Ų639%0.08633%0.327CS..EExtended strand (participates in β ladder)trans-131.4134.4-173.8-56.30000110.7V295 T300 Y314 V315 D316V295-T302 HydrophobicContact CG2-CG2 4.17Å; V295-T302 PolarHBondContact N-O 3.14Å; T300-T302 PolarHBondContact O-N 3.43Å; T300-T302 PolarHBondContact O-OG1 3.24Å; T300-T302 PolarHBondContact OG1-OG1 3.01Å; T302-Y314 HydrophobicContact CG2-CD1 4.23Å; T302-V315 WeakPolarHBondContact CA-O 3.38Å; T302-D316 WeakPolarHBondContact CB-OD1 3.48Å; T302-D316 WeakPolarHBondContact CG2-OD1 3.26Å; T302-D316 PolarHBondContact OG1-OD1 2.89Å
303L91.6Very high84.9Confident0 Ų062.6 Ų62.60%033%0.325CS..EExtended strand (participates in β ladder)trans-109.9131.3172.4-65.4174.6000110.3I169 L173 V275 W281 I292 P294 V305 Y314 V315 F317I169-L303 HydrophobicContact CG2-CD1 4.24Å; L173-L303 HydrophobicContact CD1-CD1 4.44Å; V275-L303 HydrophobicContact CG1-CD2 3.99Å; V275-L303 HydrophobicContact CG1-CG 4.49Å; W281-L303 HydrophobicContact CD2-CD2 4.25Å; W281-L303 HydrophobicContact CE3-CD1 4.34Å; W281-L303 HydrophobicContact CH2-CD1 3.27Å; W281-L303 HydrophobicContact CH2-CD2 4.02Å; W281-L303 HydrophobicContact CH2-CG 4.27Å; W281-L303 HydrophobicContact CZ2-CD1 3.82Å; W281-L303 HydrophobicContact CZ2-CD2 3.68Å; W281-L303 HydrophobicContact CZ2-CG 4.37Å; W281-L303 HydrophobicContact CZ3-CD1 3.59Å; W281-L303 HydrophobicContact CZ3-CD2 4.48Å; I292-L303 HydrophobicContact CG2-CD1 4.42Å; P294-L303 HydrophobicContact CB-CD2 3.86Å; L303-V305 HydrophobicContact CB-CG2 4.43Å; L303-Y314 CarbonylContact O-C 3.56Å; L303-Y314 VanDerWaalsContact O-CA 3.32Å; L303-Y314 WeakPolarHBondContact O-CA 3.31Å; L303-V315 HydrophobicContact CB-CB 4.49Å; L303-V315 PolarHBondContact N-O 2.97Å; L303-V315 PolarHBondContact O-N 2.77Å; L303-F317 HydrophobicContact CB-CE2 4.19Å; L303-F317 HydrophobicContact CD1-CE2 3.37Å; L303-F317 HydrophobicContact CD1-CZ 3.4Å; L303-F317 VanDerWaalsContact CD1-CZ 3.4Å; L303-F317 HydrophobicContact CG-CD2 4.48Å; L303-F317 HydrophobicContact CG-CE2 3.49Å; L303-F317 VanDerWaalsContact CG-CE2 3.49Å; L303-F317 HydrophobicContact CG-CZ 4.08Å
304E93.6Very high85.1Confident29 Ų2961.1 Ų61.114%0.13632%0.32CS..EExtended strand (participates in β ladder)trans-87124.5165.7-177.2-177-150.600108.9I292 R293 V295 R312 Y314I292-E304 CarbonylContact C-O 3.57Å; I292-E304 WeakPolarHBondContact CA-O 3.23Å; R293-E304 PolarHBondContact N-O 2.82Å; R293-E304 PolarHBondContact O-N 2.92Å; V295-E304 HydrophobicContact CG2-CB 3.99Å; E304-R312 VanDerWaalsContact OE1-CD 3.31Å; E304-R312 WeakPolarHBondContact OE1-CD 3.08Å; E304-R312 IonicContact OE1-CZ 2.94Å; E304-R312 IonicContact OE1-NE 3.53Å; E304-R312 IonicContact OE1-NH1 3.48Å; E304-R312 PolarHBondContact OE1-NH1 3.25Å; E304-Y314 HydrophobicContact CB-CD1 4.2Å; E304-Y314 HydrophobicContact CB-CE1 3.92Å; E304-Y314 HydrophobicContact CG-CD1 4.45Å; E304-Y314 HydrophobicContact CG-CE1 3.86Å
305V93.8Very high85.2Confident0 Ų059 Ų590%031%0.306CS..EExtended strand (participates in β ladder)trans-123.3107.4-177.7-176.70000107.9I169 Y290 I292 L303 Y307 R312 L313 V315I169-V305 HydrophobicContact CD1-CB 4.04Å; I169-V305 HydrophobicContact CD1-CG1 3.64Å; I169-V305 HydrophobicContact CD1-CG2 3.21Å; Y290-V305 HydrophobicContact CD2-CG1 4.41Å; Y290-V305 HydrophobicContact CG-CG1 4.34Å; I292-V305 HydrophobicContact CG1-CG1 4.41Å; I292-V305 HydrophobicContact CG2-CG2 4.45Å; L303-V305 HydrophobicContact CB-CG2 4.43Å; V305-Y307 PolarHBondContact O-N 2.95Å; V305-R312 CarbonylContact O-C 3.15Å; V305-R312 WeakPolarHBondContact O-CA 3.48Å; V305-L313 HydrophobicContact CB-CB 4.28Å; V305-L313 WeakPolarHBondContact CB-O 3.4Å; V305-L313 PolarHBondContact N-O 3Å; V305-L313 PolarHBondContact O-N 3.25Å; V305-V315 HydrophobicContact CG2-CG2 3.97Å
306Q93.9Very high85.5Confident38 Ų3857.5 Ų57.518%0.17830%0.296CS..EExtended strand (participates in β ladder)trans-87.5102.8170.4-176.4177.810.400108I291 E308 T309 R311I291-Q306 HydrophobicContact CB-CB 4.11Å; I291-Q306 PolarHBondContact N-O 2.64Å; I291-Q306 PolarHBondContact O-N 2.94Å; Q306-E308 WeakPolarHBondContact CG-O 3.37Å; Q306-T309 PolarHBondContact NE2-O 2.97Å; Q306-R311 WeakPolarHBondContact CA-O 3.43Å
307Y89.4Confident86.2Confident16 Ų1653 Ų536%0.06327%0.269CS..EExtended strand (participates in β ladder)trans-96.8-17.3-177.362.5-92.1000113T161 A162 V305 R311 L313T161-Y307 HydrophobicContact CG2-CD2 3.75Å; T161-Y307 HydrophobicContact CG2-CE2 4.23Å; A162-Y307 HydrophobicContact CB-CE1 4.3Å; V305-Y307 PolarHBondContact O-N 2.95Å; Y307-R311 HydrophobicContact CD2-CB 4.49Å; Y307-R311 HydrophobicContact CE1-CB 3.9Å; Y307-R311 HydrophobicContact CE2-CB 3.79Å; Y307-R311 VanDerWaalsContact CZ-CB 3.46Å; Y307-R311 PolarHBondContact N-O 3.2Å; Y307-R311 WeakPolarHBondContact OH-CD 3.21Å; Y307-L313 HydrophobicContact CD1-CB 3.76Å; Y307-L313 HydrophobicContact CE1-CB 3.71Å
308E87.8Confident87.4Confident71 Ų7147.3 Ų47.333%0.33223%0.231SC..EExtended strand (participates in β ladder)trans-138.1163.8170-76.8169.2-164.600108.4Q306 D310 R311Q306-E308 WeakPolarHBondContact CG-O 3.37Å; E308-D310 PolarHBondContact O-N 2.87Å; E308-D310 VanDerWaalsContact O-N 3.14Å; E308-R311 HydrophobicContact CB-CB 4.09Å; E308-R311 HydrophobicContact CB-CG 4.27Å; E308-R311 PolarHBondContact O-N 3.29Å; E308-R311 IonicContact OE1-NH1 3.54Å; E308-R311 WeakPolarHBondContact OE2-CD 3.45Å; E308-R311 IonicContact OE2-CZ 3.99Å; E308-R311 IonicContact OE2-NE 3.43Å; E308-R311 PolarHBondContact OE2-NE 3.11Å; E308-R311 IonicContact OE2-NH1 3.6Å; E308-R311 PolarHBondContact OE2-NH1 3.27Å
309T84.4Confident88.9Confident117 Ų11744.8 Ų44.872%0.71821%0.214SC*.THydrogen-bonded Turntrans-53-40.2-175.544.50000113.3Q306Q306-T309 PolarHBondContact NE2-O 2.97Å
310D86.5Confident90.2Very high147 Ų14737.5 Ų37.579%0.78618%0.18SC*.THydrogen-bonded Turntrans-111.86.8-176-59.2-41.8000113.6E308E308-D310 PolarHBondContact O-N 2.87Å; E308-D310 VanDerWaalsContact O-N 3.14Å
311R88.9Confident91.5Very high74 Ų7436.4 Ų36.428%0.27917%0.173SC..EExtended strand (participates in β ladder)trans-122.7138.1-176.3-54.6-165.8174.3158.6-24113.1E158 Q306 Y307 E308E158-R311 VanDerWaalsContact CB-NH1 3.34Å; E158-R311 VanDerWaalsContact CD-CZ 3.5Å; E158-R311 IonicContact OE2-CZ 2.97Å; E158-R311 IonicContact OE2-NE 3.98Å; E158-R311 IonicContact OE2-NH1 2.59Å; E158-R311 IonicContact OE2-NH2 2.88Å; E158-R311 PolarHBondContact OE2-NH2 3.48Å; Q306-R311 WeakPolarHBondContact CA-O 3.43Å; Y307-R311 HydrophobicContact CD2-CB 4.49Å; Y307-R311 HydrophobicContact CE1-CB 3.9Å; Y307-R311 HydrophobicContact CE2-CB 3.79Å; Y307-R311 VanDerWaalsContact CZ-CB 3.46Å; Y307-R311 PolarHBondContact N-O 3.2Å; Y307-R311 WeakPolarHBondContact OH-CD 3.21Å; E308-R311 HydrophobicContact CB-CB 4.09Å; E308-R311 HydrophobicContact CB-CG 4.27Å; E308-R311 PolarHBondContact O-N 3.29Å; E308-R311 IonicContact OE1-NH1 3.54Å; E308-R311 WeakPolarHBondContact OE2-CD 3.45Å; E308-R311 IonicContact OE2-CZ 3.99Å; E308-R311 IonicContact OE2-NE 3.43Å; E308-R311 PolarHBondContact OE2-NE 3.11Å; E308-R311 IonicContact OE2-NH1 3.6Å; E308-R311 PolarHBondContact OE2-NH1 3.27Å
312R93.3Very high92Very high126 Ų12639.9 Ų39.948%0.47519%0.194SC..EExtended strand (participates in β ladder)trans-130.1136.8-175-60.1173.8-176.6-160.113.5108.9E304 V305E304-R312 VanDerWaalsContact OE1-CD 3.31Å; E304-R312 WeakPolarHBondContact OE1-CD 3.08Å; E304-R312 IonicContact OE1-CZ 2.94Å; E304-R312 IonicContact OE1-NE 3.53Å; E304-R312 IonicContact OE1-NH1 3.48Å; E304-R312 PolarHBondContact OE1-NH1 3.25Å; V305-R312 CarbonylContact O-C 3.15Å; V305-R312 WeakPolarHBondContact O-CA 3.48Å
313L94.5Very high91.9Very high0 Ų040.2 Ų40.20%020%0.195CC..EExtended strand (participates in β ladder)trans-118.7125.8175.3175.267.8000108.4A162 A165 A166 L195 A207 V305 Y307 V315A162-L313 WeakPolarHBondContact O-CD2 3.12Å; A165-L313 HydrophobicContact CB-CD2 4.45Å; A166-L313 HydrophobicContact CB-CD2 4.13Å; L195-L313 HydrophobicContact CD2-CD1 4.19Å; A207-L313 HydrophobicContact CB-CD1 3.99Å; A207-L313 HydrophobicContact CB-CD2 4.49Å; A207-L313 HydrophobicContact CB-CG 4.48Å; V305-L313 HydrophobicContact CB-CB 4.28Å; V305-L313 WeakPolarHBondContact CB-O 3.4Å; V305-L313 PolarHBondContact N-O 3Å; V305-L313 PolarHBondContact O-N 3.25Å; Y307-L313 HydrophobicContact CD1-CB 3.76Å; Y307-L313 HydrophobicContact CE1-CB 3.71Å; L313-V315 HydrophobicContact CD2-CG2 3.98Å; L313-V315 HydrophobicContact CG-CG2 3.98Å
314Y93.9Very high91.6Very high86 Ų8647.7 Ų47.734%0.33723%0.23SC..EExtended strand (participates in β ladder)trans-94.8117.7172.1-63.8-80.4000109.3D205 H206 A207 V295 T302 L303 E304D205-Y314 WeakPolarHBondContact O-CD2 3.43Å; D205-Y314 PolarHBondContact O-N 2.69Å; H206-Y314 CarbonylContact C-O 3.17Å; H206-Y314 VanDerWaalsContact CA-O 3.32Å; H206-Y314 WeakPolarHBondContact CA-O 3.39Å; A207-Y314 PolarHBondContact N-O 3.06Å; V295-Y314 HydrophobicContact CG2-CD1 4.39Å; V295-Y314 HydrophobicContact CG2-CE1 4.42Å; T302-Y314 HydrophobicContact CG2-CD1 4.23Å; L303-Y314 CarbonylContact O-C 3.56Å; L303-Y314 VanDerWaalsContact O-CA 3.32Å; L303-Y314 WeakPolarHBondContact O-CA 3.31Å; E304-Y314 HydrophobicContact CB-CD1 4.2Å; E304-Y314 HydrophobicContact CB-CE1 3.92Å; E304-Y314 HydrophobicContact CG-CD1 4.45Å; E304-Y314 HydrophobicContact CG-CE1 3.86Å
315V93.1Very high91.2Very high0 Ų051.2 Ų51.20%025%0.25CC..EExtended strand (participates in β ladder)trans-106.4111.2179.7-174.30000109.1A207 L209 T302 L303 V305 L313 F317A207-V315 HydrophobicContact CB-CG2 4.32Å; A207-V315 WeakPolarHBondContact O-CA 3.24Å; L209-V315 HydrophobicContact CB-CG1 4.29Å; T302-V315 WeakPolarHBondContact CA-O 3.38Å; L303-V315 HydrophobicContact CB-CB 4.49Å; L303-V315 PolarHBondContact N-O 2.97Å; L303-V315 PolarHBondContact O-N 2.77Å; V305-V315 HydrophobicContact CG2-CG2 3.97Å; L313-V315 HydrophobicContact CD2-CG2 3.98Å; L313-V315 HydrophobicContact CG-CG2 3.98Å; V315-F317 HydrophobicContact CG1-CE2 4.21Å; V315-F317 HydrophobicContact CG1-CZ 4.08Å; V315-F317 WeakPolarHBondContact O-CE2 3.41Å
316D92.1Very high90.8Very high19 Ų1953.6 Ų53.610%0.10228%0.275CS..EExtended strand (participates in β ladder)trans-89.6131.2176.6-77.2-2.6000111.4H206 A207 Q208 L209 L301 T302H206-D316 IonicContact CE1-OD1 3.52Å; H206-D316 IonicContact CE1-OD2 3.32Å; H206-D316 PolarHBondContact CE1-OD2 3.44Å; H206-D316 IonicContact NE2-OD2 3.9Å; H206-D316 PolarHBondContact NE2-OD2 3.45Å; A207-D316 PolarHBondContact O-N 2.95Å; Q208-D316 CarbonylContact C-O 3.6Å; Q208-D316 WeakPolarHBondContact CA-O 3.4Å; Q208-D316 HydrophobicContact CG-CB 4.48Å; L209-D316 PolarHBondContact N-O 3.25Å; L301-D316 CarbonylContact O-C 3.6Å; L301-D316 WeakPolarHBondContact O-CA 3.28Å; T302-D316 WeakPolarHBondContact CB-OD1 3.48Å; T302-D316 WeakPolarHBondContact CG2-OD1 3.26Å; T302-D316 PolarHBondContact OG1-OD1 2.89Å
317F90.1Very high90.7Very high8 Ų852.6 Ų52.64%0.03527%0.271CS..EExtended strand (participates in β ladder)trans-93.3120.6172.9-60.2-93000109.7L173 L209 V211 L301 L303 V315 P319L173-F317 HydrophobicContact CD1-CD1 4.24Å; L173-F317 HydrophobicContact CD1-CE1 3.09Å; L173-F317 HydrophobicContact CD1-CZ 3.28Å; L209-F317 HydrophobicContact CB-CD1 4Å; L209-F317 HydrophobicContact CB-CE1 4.02Å; L209-F317 HydrophobicContact CD2-CD1 3.75Å; L209-F317 HydrophobicContact CD2-CE1 3.42Å; L209-F317 VanDerWaalsContact CD2-CE1 3.42Å; L209-F317 HydrophobicContact CD2-CZ 4.49Å; L209-F317 HydrophobicContact CG-CD1 4.48Å; L209-F317 HydrophobicContact CG-CE1 4.32Å; V211-F317 HydrophobicContact CG2-CD1 4.29Å; L301-F317 HydrophobicContact CB-CB 3.77Å; L301-F317 HydrophobicContact CB-CD2 4.22Å; L301-F317 HydrophobicContact CB-CG 4.39Å; L301-F317 HydrophobicContact CD1-CB 4.24Å; L301-F317 WeakPolarHBondContact O-CD2 3.4Å; L301-F317 PolarHBondContact O-N 3.19Å; L303-F317 HydrophobicContact CB-CE2 4.19Å; L303-F317 HydrophobicContact CD1-CE2 3.37Å; L303-F317 HydrophobicContact CD1-CZ 3.4Å; L303-F317 VanDerWaalsContact CD1-CZ 3.4Å; L303-F317 HydrophobicContact CG-CD2 4.48Å; L303-F317 HydrophobicContact CG-CE2 3.49Å; L303-F317 VanDerWaalsContact CG-CE2 3.49Å; L303-F317 HydrophobicContact CG-CZ 4.08Å; V315-F317 HydrophobicContact CG1-CE2 4.21Å; V315-F317 HydrophobicContact CG1-CZ 4.08Å; V315-F317 WeakPolarHBondContact O-CE2 3.41Å; F317-P319 WeakPolarHBondContact O-CD 3.44Å
318L93.1Very high90.9Very high7 Ų753.7 Ų53.74%0.03728%0.281CS..EExtended strand (participates in β ladder)trans-118.297.9-178.2-63.5178.4000109.5Q208 L209 M210 V211 L320Q208-L318 HydrophobicContact CB-CD1 4.14Å; Q208-L318 HydrophobicContact CG-CD1 4.15Å; L209-L318 PolarHBondContact O-N 3.4Å; M210-L318 HydrophobicContact CE-CB 4.25Å; M210-L318 HydrophobicContact SD-CB 4.07Å; M210-L318 HydrophobicContact SD-CD1 4.17Å; V211-L318 PolarHBondContact N-O 3.39Å; L318-L320 PolarHBondContact O-N 2.95Å
319P94.9Very high91.4Very high1 Ų150.3 Ų50.31%0.00627%0.265CS..EExtended strand (participates in β ladder)trans-54.3129.6166.9-22.331.1000110.5V211 L213 V267 L268 F271 F317 I330 A331V211-P319 WeakPolarHBondContact O-CA 3.5Å; L213-P319 HydrophobicContact CD1-CB 4.06Å; L213-P319 HydrophobicContact CD2-CB 4.44Å; L213-P319 HydrophobicContact CG-CB 4.39Å; V267-P319 HydrophobicContact CG1-CB 3.97Å; V267-P319 HydrophobicContact CG1-CG 4.13Å; L268-P319 HydrophobicContact CD2-CG 3.96Å; F271-P319 HydrophobicContact CD2-CG 3.96Å; F271-P319 HydrophobicContact CE2-CB 4.31Å; F271-P319 HydrophobicContact CE2-CG 4.08Å; F317-P319 WeakPolarHBondContact O-CD 3.44Å; P319-I330 CarbonylContact O-C 3.55Å; P319-I330 WeakPolarHBondContact O-CA 3.49Å; P319-A331 HydrophobicContact CB-CB 3.81Å; P319-A331 HydrophobicContact CG-CB 3.95Å; P319-A331 PolarHBondContact O-N 3.41Å
320L95.6Very high91.9Very high4 Ų445.3 Ų45.32%0.02123%0.234CC..EExtended strand (participates in β ladder)trans-126129.9-172.6171.470000110.1Y190 M210 V211 P212 L213 L318 V322 L329 I330Y190-L320 HydrophobicContact CE1-CD2 4.4Å; Y190-L320 VanDerWaalsContact OH-CD2 3.24Å; Y190-L320 WeakPolarHBondContact OH-CD2 3.36Å; M210-L320 HydrophobicContact CB-CD2 4.48Å; M210-L320 HydrophobicContact CE-CB 3.96Å; M210-L320 HydrophobicContact CE-CD1 4.08Å; M210-L320 HydrophobicContact CE-CD2 3.94Å; M210-L320 HydrophobicContact CE-CG 4.21Å; V211-L320 PolarHBondContact O-N 2.89Å; P212-L320 CarbonylContact C-O 3.59Å; P212-L320 WeakPolarHBondContact CA-O 3.21Å; P212-L320 HydrophobicContact CB-CD2 4.43Å; L213-L320 PolarHBondContact N-O 2.99Å; L318-L320 PolarHBondContact O-N 2.95Å; L320-V322 HydrophobicContact CD2-CG2 4.15Å; L320-V322 HydrophobicContact CG-CG2 4.16Å; L320-L329 CarbonylContact C-O 3.57Å; L320-L329 WeakPolarHBondContact CA-O 3.46Å; L320-I330 HydrophobicContact CD1-CG2 3.79Å
321L95.8Very high92.2Very high1 Ų138.3 Ų38.31%0.00520%0.197CC..EExtended strand (participates in β ladder)trans-106.4135166.3-54.8172.1000108.7L213 L215 V238 L262 S328 L329 W345L213-L321 HydrophobicContact CB-CD2 3.76Å; L213-L321 HydrophobicContact CD1-CD2 3.99Å; L213-L321 HydrophobicContact CG-CD2 4.23Å; L215-L321 HydrophobicContact CD1-CD1 4.14Å; L215-L321 HydrophobicContact CD1-CD2 3.88Å; L215-L321 HydrophobicContact CD1-CG 4.47Å; L215-L321 HydrophobicContact CD2-CD2 3.9Å; L215-L321 HydrophobicContact CG-CD2 3.74Å; V238-L321 HydrophobicContact CG2-CD1 3.87Å; L262-L321 HydrophobicContact CD2-CD1 4.08Å; L321-S328 CarbonylContact O-C 3.47Å; L321-S328 WeakPolarHBondContact O-CA 3.41Å; L321-L329 HydrophobicContact CB-CB 4.21Å; L321-L329 PolarHBondContact N-O 2.91Å; L321-L329 PolarHBondContact O-N 3.35Å; L321-W345 HydrophobicContact CD1-CD2 3.64Å; L321-W345 HydrophobicContact CD1-CE3 3.64Å; L321-W345 HydrophobicContact CD1-CG 4.46Å; L321-W345 HydrophobicContact CD1-CH2 3.6Å; L321-W345 HydrophobicContact CD1-CZ2 3.59Å; L321-W345 HydrophobicContact CD1-CZ3 3.61Å; L321-W345 HydrophobicContact CD2-CH2 4.36Å; L321-W345 HydrophobicContact CG-CD2 4.48Å; L321-W345 HydrophobicContact CG-CE3 3.98Å; L321-W345 HydrophobicContact CG-CH2 3.79Å; L321-W345 HydrophobicContact CG-CZ2 4.3Å; L321-W345 HydrophobicContact CG-CZ3 3.6Å
322V93.8Very high92.3Very high79 Ų7939 Ų3948%0.47920%0.201SC..EExtended strand (participates in β ladder)trans-113.9110.2169.7-1770000106.9L320L320-V322 HydrophobicContact CD2-CG2 4.15Å; L320-V322 HydrophobicContact CG-CG2 4.16Å
323M90.7Very high92Very high22 Ų2234.8 Ų34.811%0.10819%0.191CC..  trans-75.2164.7179-57.7-54.6-55.800110.6L215 D325 G326 T327 L329L215-M323 HydrophobicContact CD1-SD 4.32Å; M323-D325 WeakPolarHBondContact CB-OD1 3.4Å; M323-D325 PolarHBondContact O-N 3.02Å; M323-G326 PolarHBondContact O-N 3.27Å; M323-T327 PolarHBondContact N-O 3.47Å; M323-L329 HydrophobicContact CG-CD1 3.92Å; M323-L329 HydrophobicContact CG-CG 4.31Å; M323-L329 HydrophobicContact SD-CD1 4.12Å
324E84.9Confident91.7Very high156 Ų15635.4 Ų35.473%0.72919%0.194SC*.THydrogen-bonded Turntrans-64-28.5-175.4-63.4-167.7153.100113.6G326E324-G326 PolarHBondContact O-N 2.77Å
325D83.9Confident91.4Very high103 Ų10335.9 Ų35.955%0.55120%0.195SC*.THydrogen-bonded Turntrans-77.20.2175.767.3-17.1000113.5M323 T327M323-D325 WeakPolarHBondContact CB-OD1 3.4Å; M323-D325 PolarHBondContact O-N 3.02Å; D325-T327 VanDerWaalsContact C-N 3.33Å; D325-T327 WeakPolarHBondContact OD1-CB 3.48Å; D325-T327 PolarHBondContact OD1-N 3.23Å; D325-T327 PolarHBondContact OD1-OG1 3.44Å; D325-T327 PolarHBondContact OD2-OG1 2.95Å
326G85.9Confident90.9Very high51 Ų5140.1 Ų40.153%0.52622%0.217SC..SBendtrans85.41.2-175.600000114.2M323 E324 S328M323-G326 PolarHBondContact O-N 3.27Å; E324-G326 PolarHBondContact O-N 2.77Å; G326-S328 PolarHBondContact O-N 3.31Å
327T91.5Very high90.2Very high17 Ų1739.9 Ų39.910%0.10422%0.217CC..  trans-66.9122.1177.4-64.80000110.4W236 M323 D325 L329 Q347W236-T327 HydrophobicContact CZ2-CG2 4.08Å; M323-T327 PolarHBondContact N-O 3.47Å; D325-T327 VanDerWaalsContact C-N 3.33Å; D325-T327 WeakPolarHBondContact OD1-CB 3.48Å; D325-T327 PolarHBondContact OD1-N 3.23Å; D325-T327 PolarHBondContact OD1-OG1 3.44Å; D325-T327 PolarHBondContact OD2-OG1 2.95Å; T327-L329 HydrophobicContact CG2-CD2 3.67Å; T327-L329 HydrophobicContact CG2-CG 4.16Å; T327-Q347 HydrophobicContact CG2-CG 4.13Å
328S95Very high89.5Confident38 Ų3841.3 Ų41.327%0.26623%0.231SC..EExtended strand (participates in β ladder)trans-95.7119.7178.4-66.90000110.6L321 G326 Q347 S348L321-S328 CarbonylContact O-C 3.47Å; L321-S328 WeakPolarHBondContact O-CA 3.41Å; G326-S328 PolarHBondContact O-N 3.31Å; S328-Q347 CarbonylContact O-C 3.55Å; S328-Q347 WeakPolarHBondContact O-CA 3.31Å; S328-S348 PolarHBondContact O-N 3.41Å
329L96.7Very high88.6Confident0 Ų049.1 Ų49.10%027%0.267CS..EExtended strand (participates in β ladder)trans-117.3127.2-177.9-55.8-180000110.7W236 V238 L320 L321 M323 T327 W345 R346 Q347W236-L329 HydrophobicContact CB-CD1 3.88Å; W236-L329 HydrophobicContact CB-CD2 3.75Å; W236-L329 HydrophobicContact CB-CG 4.48Å; W236-L329 HydrophobicContact CD2-CD2 4.21Å; W236-L329 HydrophobicContact CG-CD1 4.33Å; W236-L329 HydrophobicContact CG-CD2 3.51Å; V238-L329 HydrophobicContact CG2-CD1 3.87Å; L320-L329 CarbonylContact C-O 3.57Å; L320-L329 WeakPolarHBondContact CA-O 3.46Å; L321-L329 HydrophobicContact CB-CB 4.21Å; L321-L329 PolarHBondContact N-O 2.91Å; L321-L329 PolarHBondContact O-N 3.35Å; M323-L329 HydrophobicContact CG-CD1 3.92Å; M323-L329 HydrophobicContact CG-CG 4.31Å; M323-L329 HydrophobicContact SD-CD1 4.12Å; T327-L329 HydrophobicContact CG2-CD2 3.67Å; T327-L329 HydrophobicContact CG2-CG 4.16Å; L329-W345 HydrophobicContact CB-CB 4Å; L329-W345 HydrophobicContact CB-CE3 4.24Å; L329-W345 HydrophobicContact CD1-CB 4.28Å; L329-R346 CarbonylContact C-O 3.54Å; L329-R346 WeakPolarHBondContact CA-O 3.29Å; L329-Q347 HydrophobicContact CD2-CB 4.23Å
330I95.5Very high87.9Confident13 Ų1359.4 Ų59.47%0.06731%0.306CS..EExtended strand (participates in β ladder)trans-110.4144179.861172.9000111.5M210 P319 L320 K332 R346M210-I330 HydrophobicContact CE-CG2 3.79Å; P319-I330 CarbonylContact O-C 3.55Å; P319-I330 WeakPolarHBondContact O-CA 3.49Å; L320-I330 HydrophobicContact CD1-CG2 3.79Å; I330-K332 HydrophobicContact CD1-CB 4.04Å; I330-K332 HydrophobicContact CG1-CB 4.16Å; I330-K332 PolarHBondContact O-N 3.37Å; I330-R346 HydrophobicContact CG1-CB 3.98Å; I330-R346 HydrophobicContact CG1-CG 4.29Å; I330-R346 WeakPolarHBondContact CG1-O 3.49Å; I330-R346 PolarHBondContact N-O 3.44Å; I330-R346 PolarHBondContact O-N 2.83Å
331A93.8Very high87.2Confident0 Ų061.5 Ų61.50%032%0.315CS..  trans-77.574.2171.900000109.9P264 L268 P319 W345P264-A331 HydrophobicContact CB-CB 3.7Å; L268-A331 HydrophobicContact CD1-CB 4.34Å; L268-A331 HydrophobicContact CD2-CB 4.2Å; L268-A331 HydrophobicContact CG-CB 4.06Å; P319-A331 HydrophobicContact CB-CB 3.81Å; P319-A331 HydrophobicContact CG-CB 3.95Å; P319-A331 PolarHBondContact O-N 3.41Å; A331-W345 HydrophobicContact CB-CE3 4.22Å; A331-W345 HydrophobicContact CB-CH2 4.03Å; A331-W345 HydrophobicContact CB-CZ3 3.69Å
332K90.6Very high86.7Confident87 Ų8764.7 Ų64.738%0.37833%0.33SS..  trans-125.5114.9171.9-176.1172.1-176168.60109.1I330 R346I330-K332 HydrophobicContact CD1-CB 4.04Å; I330-K332 HydrophobicContact CG1-CB 4.16Å; I330-K332 PolarHBondContact O-N 3.37Å; K332-R346 PolarHBondContact O-NE 3.25Å
333P86.7Confident86.5Confident39 Ų3962.5 Ų62.525%0.25332%0.316SS..  trans-62158.8-17425.5-33.7000112.1A338 R346P333-A338 HydrophobicContact CB-CB 4.04Å; P333-R346 PolarHBondContact O-NH2 3.37Å
334H87.8Confident86.6Confident13 Ų1361.6 Ų61.66%0.0631%0.312CS..  trans-77.4122.3171.8-173.7-67.6000109.6F235 L336 A337 A338 E445F235-H334 HydrophobicContact CE1-CB 3.91Å; F235-H334 AromaticContact CE2-CD2 3.54Å; F235-H334 HydrophobicContact CZ-CB 4Å; F235-H334 AromaticContact CZ-CD2 3.36Å; F235-H334 WeakPolarHBondContact CZ-CD2 3.17Å; F235-H334 AromaticContact CZ-CG 3.98Å; H334-L336 PolarHBondContact ND1-N 2.74Å; H334-L336 PolarHBondContact O-N 2.78Å; H334-A337 HydrophobicContact CB-CB 4.39Å; H334-A337 PolarHBondContact ND1-N 3.32Å; H334-A337 CarbonylContact O-C 3.44Å; H334-A337 PolarHBondContact O-N 3.11Å; H334-A337 VanDerWaalsContact O-N 3.11Å; H334-A338 WeakPolarHBondContact O-CA 3.48Å; H334-A338 WeakPolarHBondContact O-CB 3.39Å; H334-A338 PolarHBondContact O-N 3.38Å; H334-E445 WeakPolarHBondContact CA-OE1 3.17Å; H334-E445 IonicContact CG-OE1 2.64Å; H334-E445 IonicContact ND1-OE1 3.79Å
335R86.9Confident87.2Confident95 Ų9554.2 Ų54.236%0.35828%0.277SS..THydrogen-bonded Turntrans-55.3-46-169.4-169.1-175.772.7118.2-0.9113.7E445 E450R335-E445 HydrophobicContact CB-CB 4.35Å; R335-E445 VanDerWaalsContact CZ-O 3.22Å; R335-E445 PolarHBondContact N-OE1 3.44Å; R335-E445 PolarHBondContact NE-O 3.03Å; R335-E445 PolarHBondContact NH2-O 3.37Å; R335-E450 IonicContact CZ-OE1 2.88Å; R335-E450 IonicContact CZ-OE2 2.61Å; R335-E450 IonicContact NH1-OE1 2.83Å; R335-E450 PolarHBondContact NH1-OE1 2.94Å; R335-E450 IonicContact NH1-OE2 2.85Å; R335-E450 IonicContact NH2-OE1 3Å; R335-E450 PolarHBondContact NH2-OE1 2.84Å; R335-E450 IonicContact NH2-OE2 3.18Å; R335-E450 PolarHBondContact NH2-OE2 3.34Å
336L83.6Confident87.7Confident90 Ų9051.2 Ų51.247%0.47126%0.258SS..THydrogen-bonded Turntrans-86.8-10-175.8-60.3177.3000114.2H334 T447H334-L336 PolarHBondContact ND1-N 2.74Å; H334-L336 PolarHBondContact O-N 2.78Å; L336-T447 HydrophobicContact CD2-CG2 3.9Å
337A78.3Confident88.2Confident13 Ų1350.2 Ų50.211%0.10724%0.239CC..THydrogen-bonded Turntrans-139.620.9-167.600000112.5H334 E339 R340 H341H334-A337 HydrophobicContact CB-CB 4.39Å; H334-A337 PolarHBondContact ND1-N 3.32Å; H334-A337 CarbonylContact O-C 3.44Å; H334-A337 PolarHBondContact O-N 3.11Å; H334-A337 VanDerWaalsContact O-N 3.11Å; A337-E339 PolarHBondContact O-N 3.39Å; A337-R340 PolarHBondContact O-N 3.39Å; A337-H341 WeakPolarHBondContact CB-CD2 3.43Å; A337-H341 PolarHBondContact O-N 3.03Å
338A75.2Confident88.3Confident39 Ų3950.9 Ų50.932%0.32225%0.245SC..THydrogen-bonded Turntrans-54-41.1-17500000112P333 H334 E342P333-A338 HydrophobicContact CB-CB 4.04Å; H334-A338 WeakPolarHBondContact O-CA 3.48Å; H334-A338 WeakPolarHBondContact O-CB 3.39Å; H334-A338 PolarHBondContact O-N 3.38Å; A338-E342 WeakPolarHBondContact O-CG 3.29Å
339E74.6Confident88.2Confident170 Ų17050.4 Ų50.479%0.79424%0.238SC*.THydrogen-bonded Turntrans-78.6-27.5178.6-61.3-176.5169.500113.8A337A337-E339 PolarHBondContact O-N 3.39Å
340R78.7Confident88Confident218 Ų21852.5 Ų52.582%0.82325%0.246SC*.THydrogen-bonded Turntrans-86.8-27-178.4-66.5-176.4-177.5175.71.9112.4A337A337-R340 PolarHBondContact O-N 3.39Å
341H81.8Confident87.9Confident48 Ų4856.3 Ų56.322%0.22227%0.27CS..  trans-128.149.6-171.3-57.3-34.5000111.2M230 A337 N343 L344M230-H341 HydrophobicContact SD-CB 4.22Å; M230-H341 PolarHBondContact SD-ND1 3.4Å; A337-H341 WeakPolarHBondContact CB-CD2 3.43Å; A337-H341 PolarHBondContact O-N 3.03Å; H341-N343 PolarHBondContact O-N 2.94Å; H341-L344 HydrophobicContact CB-CB 4.38Å; H341-L344 HydrophobicContact CB-CD1 3.59Å; H341-L344 HydrophobicContact CB-CG 3.92Å; H341-L344 PolarHBondContact O-N 3.46Å; H341-L344 VanDerWaalsContact O-N 3.14Å
342E84.2Confident87.8Confident67 Ų6758.7 Ų58.731%0.31329%0.289SS..THydrogen-bonded Turntrans-60.9-18.1-177-57.3-172.9155.400113.9S263 P264 K265 A338S263-E342 PolarHBondContact OG-O 2.91Å; S263-E342 VanDerWaalsContact OG-O 3.07Å; P264-E342 WeakPolarHBondContact CD-O 3.45Å; P264-E342 WeakPolarHBondContact CG-O 3.37Å; K265-E342 HydrophobicContact CB-CB 4.33Å; K265-E342 HydrophobicContact CD-CB 4.07Å; K265-E342 HydrophobicContact CD-CG 3.89Å; K265-E342 IonicContact NZ-OE1 3.93Å; K265-E342 PolarHBondContact NZ-OE1 3.3Å; K265-E342 IonicContact NZ-OE2 3.78Å; A338-E342 WeakPolarHBondContact O-CG 3.29Å
343N90.6Very high88Confident34 Ų3454.8 Ų54.818%0.18227%0.272CS..THydrogen-bonded Turntrans-94.3-5.5-177.2-66.3-18.9000113.8L237 V258 S263 H341 W345L237-N343 HydrophobicContact CD2-CB 3.65Å; L237-N343 WeakPolarHBondContact CD2-O 3.42Å; V258-N343 PolarHBondContact O-ND2 3.13Å; S263-N343 WeakPolarHBondContact CB-OD1 3.21Å; S263-N343 PolarHBondContact OG-OD1 2.85Å; H341-N343 PolarHBondContact O-N 2.94Å; N343-W345 PolarHBondContact O-N 2.88Å
344L93.4Very high88.4Confident3 Ų353.3 Ų53.32%0.01626%0.263CS..PPolyproline II helixtrans-82.7116.2-175.5-76.6-175.6000112M230 I232 F235 L237 P264 H341M230-L344 HydrophobicContact CE-CD1 4.39Å; M230-L344 HydrophobicContact CE-CD2 3.38Å; M230-L344 HydrophobicContact CE-CG 3.95Å; M230-L344 HydrophobicContact SD-CD1 3.77Å; M230-L344 HydrophobicContact SD-CD2 3.85Å; M230-L344 HydrophobicContact SD-CG 3.71Å; I232-L344 HydrophobicContact CD1-CD1 3.92Å; F235-L344 HydrophobicContact CB-CB 4.24Å; F235-L344 HydrophobicContact CB-CD1 4.03Å; F235-L344 HydrophobicContact CB-CD2 4.03Å; F235-L344 HydrophobicContact CB-CG 4.35Å; F235-L344 HydrophobicContact CD1-CB 3.99Å; F235-L344 HydrophobicContact CD1-CD1 4.42Å; F235-L344 HydrophobicContact CG-CB 4.5Å; F235-L344 HydrophobicContact CG-CD1 4.33Å; L237-L344 HydrophobicContact CD2-CD2 3.98Å; L237-L344 HydrophobicContact CG-CD2 4.15Å; P264-L344 WeakPolarHBondContact CG-O 3.32Å; H341-L344 HydrophobicContact CB-CB 4.38Å; H341-L344 HydrophobicContact CB-CD1 3.59Å; H341-L344 HydrophobicContact CB-CG 3.92Å; H341-L344 PolarHBondContact O-N 3.46Å; H341-L344 VanDerWaalsContact O-N 3.14Å
345W95.8Very high88.7Confident0 Ų055 Ų550%028%0.279CS..EExtended strand (participates in β ladder)trans-81.4143.9166.4-68.476.2000110.2L213 F235 W236 V238 L262 P264 V267 L321 L329 A331 N343L213-W345 HydrophobicContact CD1-CH2 4.18Å; F235-W345 CarbonylContact C-O 3.39Å; F235-W345 WeakPolarHBondContact CA-O 3.48Å; W236-W345 PolarHBondContact N-O 3.38Å; W236-W345 PolarHBondContact O-N 3.19Å; V238-W345 HydrophobicContact CG2-CG 4.11Å; L262-W345 HydrophobicContact CD2-CZ2 3.94Å; L262-W345 HydrophobicContact CG-CZ2 3.97Å; L262-W345 PolarHBondContact O-NE1 3Å; P264-W345 HydrophobicContact CB-CD2 3.94Å; P264-W345 HydrophobicContact CB-CE3 4.34Å; P264-W345 HydrophobicContact CB-CG 4.35Å; P264-W345 HydrophobicContact CB-CH2 4.35Å; P264-W345 HydrophobicContact CB-CZ2 3.95Å; P264-W345 HydrophobicContact CG-CD2 4.37Å; P264-W345 HydrophobicContact CG-CG 4.27Å; V267-W345 HydrophobicContact CG1-CH2 4.47Å; V267-W345 HydrophobicContact CG2-CH2 4.36Å; V267-W345 HydrophobicContact CG2-CZ2 4.17Å; L321-W345 HydrophobicContact CD1-CD2 3.64Å; L321-W345 HydrophobicContact CD1-CE3 3.64Å; L321-W345 HydrophobicContact CD1-CG 4.46Å; L321-W345 HydrophobicContact CD1-CH2 3.6Å; L321-W345 HydrophobicContact CD1-CZ2 3.59Å; L321-W345 HydrophobicContact CD1-CZ3 3.61Å; L321-W345 HydrophobicContact CD2-CH2 4.36Å; L321-W345 HydrophobicContact CG-CD2 4.48Å; L321-W345 HydrophobicContact CG-CE3 3.98Å; L321-W345 HydrophobicContact CG-CH2 3.79Å; L321-W345 HydrophobicContact CG-CZ2 4.3Å; L321-W345 HydrophobicContact CG-CZ3 3.6Å; L329-W345 HydrophobicContact CB-CB 4Å; L329-W345 HydrophobicContact CB-CE3 4.24Å; L329-W345 HydrophobicContact CD1-CB 4.28Å; A331-W345 HydrophobicContact CB-CE3 4.22Å; A331-W345 HydrophobicContact CB-CH2 4.03Å; A331-W345 HydrophobicContact CB-CZ3 3.69Å; N343-W345 PolarHBondContact O-N 2.88Å
346R95.3Very high89.1Confident40 Ų4056.8 Ų56.815%0.15129%0.286CS..EExtended strand (participates in β ladder)trans-94.7131.8178.8177.5-175.1-60-94.14.7110.6F235 L329 I330 K332 P333 S348 E445F235-R346 HydrophobicContact CD1-CB 4.11Å; F235-R346 HydrophobicContact CE1-CB 3.91Å; F235-R346 HydrophobicContact CE1-CG 4.24Å; F235-R346 HydrophobicContact CZ-CG 4.49Å; F235-R346 VanDerWaalsContact CZ-CZ 3.45Å; L329-R346 CarbonylContact C-O 3.54Å; L329-R346 WeakPolarHBondContact CA-O 3.29Å; I330-R346 HydrophobicContact CG1-CB 3.98Å; I330-R346 HydrophobicContact CG1-CG 4.29Å; I330-R346 WeakPolarHBondContact CG1-O 3.49Å; I330-R346 PolarHBondContact N-O 3.44Å; I330-R346 PolarHBondContact O-N 2.83Å; K332-R346 PolarHBondContact O-NE 3.25Å; P333-R346 PolarHBondContact O-NH2 3.37Å; R346-S348 PolarHBondContact O-N 3.19Å; R346-E445 IonicContact CZ-OE1 2.68Å; R346-E445 IonicContact CZ-OE2 3.01Å; R346-E445 VanDerWaalsContact CZ-OE2 3.26Å; R346-E445 IonicContact NH1-OE1 3.96Å; R346-E445 IonicContact NH1-OE2 3.64Å; R346-E445 PolarHBondContact NH1-OE2 3.11Å; R346-E445 IonicContact NH2-OE1 3.75Å; R346-E445 PolarHBondContact NH2-OE1 3.22Å; R346-E445 IonicContact NH2-OE2 2.68Å; R346-E445 PolarHBondContact NH2-OE2 3.04Å
347Q95.8Very high89.7Confident30 Ų3052.5 Ų52.514%0.1426%0.263CS..EExtended strand (participates in β ladder)trans-70.9129.6171.3-168.6170.77.500110.8G234 T327 S328 L329 F349G234-Q347 VanDerWaalsContact O-CB 3.3Å; G234-Q347 WeakPolarHBondContact O-CB 3.46Å; G234-Q347 PolarHBondContact O-N 2.69Å; T327-Q347 HydrophobicContact CG2-CG 4.13Å; S328-Q347 CarbonylContact O-C 3.55Å; S328-Q347 WeakPolarHBondContact O-CA 3.31Å; L329-Q347 HydrophobicContact CD2-CB 4.23Å; Q347-F349 HydrophobicContact CB-CE2 3.98Å; Q347-F349 HydrophobicContact CB-CZ 4.1Å; Q347-F349 HydrophobicContact CG-CE1 4.02Å; Q347-F349 HydrophobicContact CG-CE2 3.9Å; Q347-F349 HydrophobicContact CG-CZ 3.61Å; Q347-F349 VanDerWaalsContact OE1-CZ 3.26Å
348S94.3Very high90.4Very high32 Ų3256.4 Ų56.422%0.22428%0.275CS..PPolyproline II helixtrans-97.2120.7176.3-175.60000110.6S328 R346S328-S348 PolarHBondContact O-N 3.41Å; R346-S348 PolarHBondContact O-N 3.19Å
349F93.7Very high91.4Very high28 Ų2856.6 Ų56.612%0.12328%0.277CS..  trans-103-8.5176-63.5-76.2000113.1Q347 V351 A352 E353 L436 N437 V440Q347-F349 HydrophobicContact CB-CE2 3.98Å; Q347-F349 HydrophobicContact CB-CZ 4.1Å; Q347-F349 HydrophobicContact CG-CE1 4.02Å; Q347-F349 HydrophobicContact CG-CE2 3.9Å; Q347-F349 HydrophobicContact CG-CZ 3.61Å; Q347-F349 VanDerWaalsContact OE1-CZ 3.26Å; F349-V351 PolarHBondContact O-N 3.19Å; F349-A352 PolarHBondContact O-N 2.75Å; F349-E353 HydrophobicContact CB-CG 3.98Å; F349-E353 VanDerWaalsContact CB-OE1 3.32Å; F349-E353 WeakPolarHBondContact CB-OE1 3.36Å; F349-E353 WeakPolarHBondContact O-CG 3.4Å; F349-E353 PolarHBondContact O-N 2.77Å; F349-L436 HydrophobicContact CB-CD1 4.28Å; F349-L436 HydrophobicContact CD1-CB 4.28Å; F349-L436 HydrophobicContact CD1-CD1 4.38Å; F349-N437 HydrophobicContact CE1-CB 4.06Å; F349-N437 HydrophobicContact CZ-CB 4.09Å; F349-V440 HydrophobicContact CE2-CG2 4.23Å; F349-V440 HydrophobicContact CZ-CG2 4.12Å
350R91.6Very high92.4Very high44 Ų4449.6 Ų49.617%0.16624%0.244CC..Hα-helixtrans-50.5-48.8-167.8-176.9-167178.397.532.2114.1G193 S194 D197 A352 E353 T354G193-R350 VanDerWaalsContact C-CZ 3.41Å; G193-R350 PolarHBondContact O-NH2 3.21Å; S194-R350 VanDerWaalsContact CA-NH2 3.29Å; S194-R350 PolarHBondContact OG-NH2 2.78Å; D197-R350 IonicContact OD2-CZ 3.8Å; D197-R350 IonicContact OD2-NE 3.29Å; D197-R350 IonicContact OD2-NH2 3.2Å; D197-R350 PolarHBondContact OD2-NH2 2.96Å; R350-A352 VanDerWaalsContact C-N 3.33Å; R350-A352 PolarHBondContact O-N 2.88Å; R350-E353 PolarHBondContact O-N 3.5Å; R350-T354 WeakPolarHBondContact O-CB 3.43Å; R350-T354 WeakPolarHBondContact O-CG2 3.46Å; R350-T354 PolarHBondContact O-N 3.17Å; R350-T354 PolarHBondContact O-OG1 3.37Å
351V92.4Very high93.1Very high92 Ų9240.1 Ų40.156%0.55821%0.21SC*.Hα-helixtrans-64.1-42.6-176.7177.20000110.3F349 T354 A355F349-V351 PolarHBondContact O-N 3.19Å; V351-T354 PolarHBondContact O-OG1 3.46Å; V351-A355 WeakPolarHBondContact O-CB 3.29Å; V351-A355 PolarHBondContact O-N 3.24Å
352A93.5Very high93.7Very high50 Ų5044.8 Ų44.841%0.41323%0.232SC..Hα-helixtrans-70.8-39.5177.800000112.1F349 R350 R356 L436F349-A352 PolarHBondContact O-N 2.75Å; R350-A352 VanDerWaalsContact C-N 3.33Å; R350-A352 PolarHBondContact O-N 2.88Å; A352-R356 VanDerWaalsContact O-CB 3.29Å; A352-R356 WeakPolarHBondContact O-CB 3.36Å; A352-R356 PolarHBondContact O-N 3.03Å; A352-L436 HydrophobicContact CB-CD1 3.42Å; A352-L436 VanDerWaalsContact CB-CD1 3.42Å
353E94.9Very high94.2Very high5 Ų549.3 Ų49.32%0.02325%0.253CS..Hα-helixtrans-60.4-50.4176.6-72169171.600111.5F349 R350 R356 L357 S391 T394 N395 L398 L436F349-E353 HydrophobicContact CB-CG 3.98Å; F349-E353 VanDerWaalsContact CB-OE1 3.32Å; F349-E353 WeakPolarHBondContact CB-OE1 3.36Å; F349-E353 WeakPolarHBondContact O-CG 3.4Å; F349-E353 PolarHBondContact O-N 2.77Å; R350-E353 PolarHBondContact O-N 3.5Å; E353-R356 PolarHBondContact O-N 2.85Å; E353-L357 WeakPolarHBondContact O-CB 3.15Å; E353-L357 PolarHBondContact O-N 3.42Å; E353-S391 PolarHBondContact OE1-OG 3.06Å; E353-S391 PolarHBondContact OE2-OG 3.49Å; E353-T394 HydrophobicContact CB-CG2 4.01Å; E353-N395 VanDerWaalsContact CD-ND2 3.28Å; E353-N395 PolarHBondContact OE1-ND2 2.85Å; E353-L398 HydrophobicContact CB-CD1 4.38Å; E353-L398 HydrophobicContact CG-CD1 4.48Å; E353-L436 HydrophobicContact CG-CD1 3.85Å
354T94.1Very high94.3Very high8 Ų851.4 Ų51.45%0.04926%0.264CS..Hα-helixtrans-69.5-37.4-179.252.70000112.3L199 R350 V351 R358 Y369L199-T354 HydrophobicContact CD1-CG2 3.84Å; R350-T354 WeakPolarHBondContact O-CB 3.43Å; R350-T354 WeakPolarHBondContact O-CG2 3.46Å; R350-T354 PolarHBondContact O-N 3.17Å; R350-T354 PolarHBondContact O-OG1 3.37Å; V351-T354 PolarHBondContact O-OG1 3.46Å; T354-R358 VanDerWaalsContact O-CB 3.3Å; T354-R358 WeakPolarHBondContact O-CB 3.45Å; T354-R358 PolarHBondContact O-N 2.83Å; T354-Y369 PolarHBondContact O-OH 2.98Å
355A94.4Very high94.1Very high48 Ų4853.8 Ų53.840%0.39729%0.29SS..Hα-helixtrans-63.9-43.417300000111.7V351 R358 A359V351-A355 WeakPolarHBondContact O-CB 3.29Å; V351-A355 PolarHBondContact O-N 3.24Å; A355-R358 PolarHBondContact O-N 3.22Å; A355-A359 WeakPolarHBondContact O-CB 3.27Å; A355-A359 PolarHBondContact O-N 3.5Å
356R95.2Very high94Very high133 Ų13354.5 Ų54.550%0.50230%0.298SS..Hα-helixtrans-63.2-46.2176.5-177.758.8173.6167.12.3111.5A352 E353 R358 A359 L360 L398A352-R356 VanDerWaalsContact O-CB 3.29Å; A352-R356 WeakPolarHBondContact O-CB 3.36Å; A352-R356 PolarHBondContact O-N 3.03Å; E353-R356 PolarHBondContact O-N 2.85Å; R356-R358 VanDerWaalsContact C-N 3.28Å; R356-R358 PolarHBondContact O-N 2.92Å; R356-A359 PolarHBondContact O-N 2.97Å; R356-L360 HydrophobicContact CG-CD1 4.46Å; R356-L360 WeakPolarHBondContact O-CG 3.48Å; R356-L360 PolarHBondContact O-N 2.91Å; R356-L360 VanDerWaalsContact O-N 3.1Å; R356-L398 HydrophobicContact CB-CD2 4.36Å; R356-L398 HydrophobicContact CG-CD2 3.92Å
357L95.1Very high93.9Very high0 Ų052.9 Ų52.90%029%0.292CS..Hα-helixtrans-59.1-42.1176.5-169.270.8000111.4E353 L360 D361 R368 Y369 L372 T394 I397 L398E353-L357 WeakPolarHBondContact O-CB 3.15Å; E353-L357 PolarHBondContact O-N 3.42Å; L357-L360 PolarHBondContact O-N 3.34Å; L357-D361 PolarHBondContact O-N 2.91Å; L357-R368 HydrophobicContact CD1-CB 3.7Å; L357-R368 HydrophobicContact CD1-CG 4.49Å; L357-R368 HydrophobicContact CG-CB 4.45Å; L357-Y369 HydrophobicContact CB-CE2 4.07Å; L357-Y369 HydrophobicContact CD2-CD2 3.87Å; L357-Y369 HydrophobicContact CD2-CE2 3.73Å; L357-Y369 HydrophobicContact CG-CD2 3.87Å; L357-Y369 HydrophobicContact CG-CE2 3.68Å; L357-L372 HydrophobicContact CD2-CD2 3.5Å; L357-L372 VanDerWaalsContact CD2-CD2 3.5Å; L357-T394 HydrophobicContact CD2-CG2 4.45Å; L357-I397 HydrophobicContact CD1-CG2 3.82Å; L357-L398 HydrophobicContact CB-CD2 4.26Å; L357-L398 HydrophobicContact CD1-CD2 4.04Å
358R94.4Very high93.9Very high96 Ų9651.9 Ų51.936%0.36229%0.287SS..Hα-helixtrans-65.8-43.6179.3-170.6178.9-65.4141.70.8111.6D197 T354 A355 R356 L360 D361 Q362 Y369D197-R358 IonicContact OD1-NH2 3.72Å; T354-R358 VanDerWaalsContact O-CB 3.3Å; T354-R358 WeakPolarHBondContact O-CB 3.45Å; T354-R358 PolarHBondContact O-N 2.83Å; A355-R358 PolarHBondContact O-N 3.22Å; R356-R358 VanDerWaalsContact C-N 3.28Å; R356-R358 PolarHBondContact O-N 2.92Å; R358-L360 VanDerWaalsContact C-N 3.32Å; R358-L360 PolarHBondContact O-N 3.37Å; R358-D361 PolarHBondContact O-N 3.23Å; R358-Q362 HydrophobicContact CG-CG 4.38Å; R358-Q362 WeakPolarHBondContact O-CB 3.38Å; R358-Q362 VanDerWaalsContact O-CG 3.23Å; R358-Q362 WeakPolarHBondContact O-CG 3.32Å; R358-Q362 PolarHBondContact O-N 2.99Å; R358-Y369 HydrophobicContact CB-CE2 4.08Å
359A95.4Very high93.9Very high43 Ų4352.4 Ų52.436%0.35529%0.285SS..Hα-helixtrans-60.6-43.6178.300000111.4A355 R356 Q362 E363A355-A359 WeakPolarHBondContact O-CB 3.27Å; A355-A359 PolarHBondContact O-N 3.5Å; R356-A359 PolarHBondContact O-N 2.97Å; A359-Q362 PolarHBondContact O-N 3.11Å; A359-E363 WeakPolarHBondContact O-CB 3.35Å; A359-E363 PolarHBondContact O-N 3.43Å
360L95.1Very high93.9Very high22 Ų2251.6 Ų51.612%0.11528%0.283CS..Hα-helixtrans-62.1-48.3178.4-68.5172.2000112R356 L357 R358 Q362 E363 D364 R368 L398R356-L360 HydrophobicContact CG-CD1 4.46Å; R356-L360 WeakPolarHBondContact O-CG 3.48Å; R356-L360 PolarHBondContact O-N 2.91Å; R356-L360 VanDerWaalsContact O-N 3.1Å; L357-L360 PolarHBondContact O-N 3.34Å; R358-L360 VanDerWaalsContact C-N 3.32Å; R358-L360 PolarHBondContact O-N 3.37Å; L360-Q362 VanDerWaalsContact C-N 3.3Å; L360-Q362 PolarHBondContact O-N 3.3Å; L360-E363 PolarHBondContact O-N 2.91Å; L360-D364 PolarHBondContact O-N 3.06Å; L360-R368 PolarHBondContact O-NH1 3.22Å; L360-L398 HydrophobicContact CD1-CD2 4.06Å
361D94.4Very high94.1Very high20 Ų2049.5 Ų49.511%0.10728%0.275CS..Hα-helixtrans-69.3-26.4178.4-84.71.7000113.3L357 R358 G365 G366 R368 Y369L357-D361 PolarHBondContact O-N 2.91Å; R358-D361 PolarHBondContact O-N 3.23Å; D361-G365 CarbonylContact O-C 3.56Å; D361-G365 WeakPolarHBondContact O-CA 3.26Å; D361-G365 PolarHBondContact O-N 2.89Å; D361-G366 PolarHBondContact O-N 2.84Å; D361-R368 WeakPolarHBondContact OD1-CB 3.29Å; D361-R368 WeakPolarHBondContact OD1-CD 3.4Å; D361-R368 WeakPolarHBondContact OD1-CG 3.37Å; D361-R368 IonicContact OD1-CZ 3.92Å; D361-R368 PolarHBondContact OD1-N 3.38Å; D361-R368 VanDerWaalsContact OD1-N 3.16Å; D361-R368 IonicContact OD1-NE 2.69Å; D361-R368 IonicContact OD1-NH1 3.2Å; D361-R368 PolarHBondContact OD1-NH1 2.98Å; D361-R368 WeakPolarHBondContact OD2-CB 3.49Å; D361-R368 PolarHBondContact OD2-N 3.31Å; D361-R368 VanDerWaalsContact OD2-N 3.16Å; D361-Y369 HydrophobicContact CB-CD2 4.38Å; D361-Y369 WeakPolarHBondContact OD2-CB 3.32Å; D361-Y369 VanDerWaalsContact OD2-CD2 3.28Å; D361-Y369 WeakPolarHBondContact OD2-CD2 3.48Å; D361-Y369 PolarHBondContact OD2-N 3.05Å
362Q94.2Very high94.2Very high146 Ų14645.1 Ų45.168%0.68225%0.248SC*.Hα-helixtrans-73.7-31173.4-76.6175.7-5.900112.6R358 A359 L360R358-Q362 HydrophobicContact CG-CG 4.38Å; R358-Q362 WeakPolarHBondContact O-CB 3.38Å; R358-Q362 VanDerWaalsContact O-CG 3.23Å; R358-Q362 WeakPolarHBondContact O-CG 3.32Å; R358-Q362 PolarHBondContact O-N 2.99Å; A359-Q362 PolarHBondContact O-N 3.11Å; L360-Q362 VanDerWaalsContact C-N 3.3Å; L360-Q362 PolarHBondContact O-N 3.3Å
363E93.8Very high94.3Very high162 Ų16243.7 Ų43.776%0.75723%0.233SC*.Hα-helixtrans-71-43.2-178.7-175.6174.7-177.800112.1A359 L360A359-E363 WeakPolarHBondContact O-CB 3.35Å; A359-E363 PolarHBondContact O-N 3.43Å; L360-E363 PolarHBondContact O-N 2.91Å
364D92.9Very high94.3Very high77 Ų7743.5 Ų43.541%0.41223%0.232SC..Hα-helixtrans-116.1-0.6-174.863.712.2000114.8L360 G366 R368L360-D364 PolarHBondContact O-N 3.06Å; D364-G366 PolarHBondContact O-N 3.34Å; D364-G366 VanDerWaalsContact OD1-CA 3.26Å; D364-G366 WeakPolarHBondContact OD1-CA 3.44Å; D364-G366 PolarHBondContact OD1-N 2.68Å; D364-R368 VanDerWaalsContact CG-NH1 3.31Å; D364-R368 IonicContact OD1-CZ 3.26Å; D364-R368 IonicContact OD1-NH1 3.17Å; D364-R368 PolarHBondContact OD1-NH1 3.03Å; D364-R368 IonicContact OD1-NH2 3.86Å; D364-R368 IonicContact OD2-CZ 3.98Å; D364-R368 VanDerWaalsContact OD2-CZ 3.29Å; D364-R368 IonicContact OD2-NH1 3.84Å; D364-R368 PolarHBondContact OD2-NH1 3.3Å; D364-R368 IonicContact OD2-NH2 3.29Å; D364-R368 PolarHBondContact OD2-NH2 3.01Å
365G90.7Very high94.3Very high54 Ų5443.4 Ų43.456%0.55723%0.232SC*.  trans67.226.3-17500000113.1D361D361-G365 CarbonylContact O-C 3.56Å; D361-G365 WeakPolarHBondContact O-CA 3.26Å; D361-G365 PolarHBondContact O-N 2.89Å
366G92.9Very high94.3Very high15 Ų1541.9 Ų41.916%0.15522%0.216CC..  trans-68.6173.3-170.300000115.8D361 D364 W407D361-G366 PolarHBondContact O-N 2.84Å; D364-G366 PolarHBondContact O-N 3.34Å; D364-G366 VanDerWaalsContact OD1-CA 3.26Å; D364-G366 WeakPolarHBondContact OD1-CA 3.44Å; D364-G366 PolarHBondContact OD1-N 2.68Å; G366-W407 CarbonylContact C-O 3.49Å; G366-W407 WeakPolarHBondContact CA-O 3.18Å
367C93.8Very high94.2Very high6 Ų635.5 Ų35.54%0.04119%0.192CC..SBendtrans-104.220.6-178.369.10000114Y369 A370 C371 W407 T408 L412C367-Y369 PolarHBondContact O-N 3.14Å; C367-A370 HydrophobicContact CB-CB 4.36Å; C367-A370 PolarHBondContact O-N 2.91Å; C367-C371 WeakPolarHBondContact O-CB 3.48Å; C367-C371 PolarHBondContact O-N 3.46Å; C367-W407 PolarHBondContact N-O 2.87Å; C367-W407 PolarHBondContact SG-O 3.45Å; C367-T408 PolarHBondContact SG-O 3.22Å; C367-L412 HydrophobicContact CB-CD1 4.36Å
368R95.5Very high94.1Very high8 Ų835.7 Ų35.73%0.0319%0.193CC..Hα-helixtrans-63.3-41.3-176.6-58.4167.3-174.786-3.6111.6L357 L360 D361 D364 C371 L372 I397 S401 W407L357-R368 HydrophobicContact CD1-CB 3.7Å; L357-R368 HydrophobicContact CD1-CG 4.49Å; L357-R368 HydrophobicContact CG-CB 4.45Å; L360-R368 PolarHBondContact O-NH1 3.22Å; D361-R368 WeakPolarHBondContact OD1-CB 3.29Å; D361-R368 WeakPolarHBondContact OD1-CD 3.4Å; D361-R368 WeakPolarHBondContact OD1-CG 3.37Å; D361-R368 IonicContact OD1-CZ 3.92Å; D361-R368 PolarHBondContact OD1-N 3.38Å; D361-R368 VanDerWaalsContact OD1-N 3.16Å; D361-R368 IonicContact OD1-NE 2.69Å; D361-R368 IonicContact OD1-NH1 3.2Å; D361-R368 PolarHBondContact OD1-NH1 2.98Å; D361-R368 WeakPolarHBondContact OD2-CB 3.49Å; D361-R368 PolarHBondContact OD2-N 3.31Å; D361-R368 VanDerWaalsContact OD2-N 3.16Å; D364-R368 VanDerWaalsContact CG-NH1 3.31Å; D364-R368 IonicContact OD1-CZ 3.26Å; D364-R368 IonicContact OD1-NH1 3.17Å; D364-R368 PolarHBondContact OD1-NH1 3.03Å; D364-R368 IonicContact OD1-NH2 3.86Å; D364-R368 IonicContact OD2-CZ 3.98Å; D364-R368 VanDerWaalsContact OD2-CZ 3.29Å; D364-R368 IonicContact OD2-NH1 3.84Å; D364-R368 PolarHBondContact OD2-NH1 3.3Å; D364-R368 IonicContact OD2-NH2 3.29Å; D364-R368 PolarHBondContact OD2-NH2 3.01Å; R368-C371 PolarHBondContact O-N 3.14Å; R368-L372 WeakPolarHBondContact O-CB 3.37Å; R368-L372 PolarHBondContact O-N 3.5Å; R368-I397 HydrophobicContact CB-CG2 3.96Å; R368-I397 HydrophobicContact CG-CG2 4.33Å; R368-S401 WeakPolarHBondContact CD-OG 3.21Å; R368-S401 PolarHBondContact NE-OG 3.11Å; R368-W407 HydrophobicContact CB-CE3 4.11Å; R368-W407 HydrophobicContact CB-CZ3 4.18Å; R368-W407 HydrophobicContact CG-CB 4.44Å; R368-W407 HydrophobicContact CG-CD2 3.41Å; R368-W407 VanDerWaalsContact CG-CD2 3.41Å; R368-W407 HydrophobicContact CG-CE3 3.27Å; R368-W407 HydrophobicContact CG-CG 3.95Å; R368-W407 HydrophobicContact CG-CH2 4.12Å; R368-W407 HydrophobicContact CG-CZ2 4.27Å; R368-W407 HydrophobicContact CG-CZ3 3.64Å; R368-W407 VanDerWaalsContact CZ-CD1 3.46Å; R368-W407 VanDerWaalsContact CZ-CG 3.45Å
369Y93.4Very high94Very high44 Ų4431.6 Ų31.617%0.17318%0.179CC..Hα-helixtrans-60.2-44.1173.6-97.2-107.8000112.1L199 T354 L357 R358 D361 C367 L372 K373L199-Y369 HydrophobicContact CD1-CE1 4.1Å; L199-Y369 HydrophobicContact CD2-CD1 3.33Å; L199-Y369 HydrophobicContact CD2-CE1 3.39Å; L199-Y369 HydrophobicContact CD2-CG 4.23Å; L199-Y369 HydrophobicContact CG-CD1 4.15Å; L199-Y369 HydrophobicContact CG-CE1 3.7Å; T354-Y369 PolarHBondContact O-OH 2.98Å; L357-Y369 HydrophobicContact CB-CE2 4.07Å; L357-Y369 HydrophobicContact CD2-CD2 3.87Å; L357-Y369 HydrophobicContact CD2-CE2 3.73Å; L357-Y369 HydrophobicContact CG-CD2 3.87Å; L357-Y369 HydrophobicContact CG-CE2 3.68Å; R358-Y369 HydrophobicContact CB-CE2 4.08Å; D361-Y369 HydrophobicContact CB-CD2 4.38Å; D361-Y369 WeakPolarHBondContact OD2-CB 3.32Å; D361-Y369 VanDerWaalsContact OD2-CD2 3.28Å; D361-Y369 WeakPolarHBondContact OD2-CD2 3.48Å; D361-Y369 PolarHBondContact OD2-N 3.05Å; C367-Y369 PolarHBondContact O-N 3.14Å; Y369-L372 PolarHBondContact O-N 3.35Å; Y369-K373 WeakPolarHBondContact O-CB 3.42Å; Y369-K373 WeakPolarHBondContact O-CG 3.38Å; Y369-K373 PolarHBondContact O-N 3.15Å
370A93.7Very high93.8Very high10 Ų1033.3 Ų33.38%0.08318%0.179CC..Hα-helixtrans-64.4-45178.900000110.9W145 Y148 C367 K373 A374 L412W145-A370 HydrophobicContact CH2-CB 4.23Å; Y148-A370 HydrophobicContact CE2-CB 4.16Å; C367-A370 HydrophobicContact CB-CB 4.36Å; C367-A370 PolarHBondContact O-N 2.91Å; A370-K373 PolarHBondContact O-N 3.44Å; A370-A374 WeakPolarHBondContact O-CB 3.42Å; A370-A374 PolarHBondContact O-N 3.12Å; A370-L412 HydrophobicContact CB-CD1 4.43Å
371C95.6Very high93.6Very high0 Ų034.2 Ų34.20%018%0.184CC..Hα-helixtrans-60.9-45.3175.6-169.30000111.7C367 R368 K373 A374 A375 I397 W407 L412C367-C371 WeakPolarHBondContact O-CB 3.48Å; C367-C371 PolarHBondContact O-N 3.46Å; R368-C371 PolarHBondContact O-N 3.14Å; C371-K373 PolarHBondContact O-N 3.24Å; C371-A374 PolarHBondContact O-N 3.06Å; C371-A375 WeakPolarHBondContact O-CB 3.34Å; C371-A375 PolarHBondContact O-N 3.35Å; C371-I397 HydrophobicContact CB-CD1 4.45Å; C371-W407 HydrophobicContact CB-CZ3 4.39Å; C371-L412 HydrophobicContact CB-CD1 3.71Å
372L96.1Very high93.4Very high0 Ų034 Ų340%018%0.183CC..Hα-helixtrans-59.7-48.8176.6178.157.6000111.6L199 L357 R368 Y369 A375 K376 L393 T394 I397L199-L372 HydrophobicContact CD1-CD2 4.34Å; L199-L372 HydrophobicContact CD2-CD2 3.9Å; L357-L372 HydrophobicContact CD2-CD2 3.5Å; L357-L372 VanDerWaalsContact CD2-CD2 3.5Å; R368-L372 WeakPolarHBondContact O-CB 3.37Å; R368-L372 PolarHBondContact O-N 3.5Å; Y369-L372 PolarHBondContact O-N 3.35Å; L372-A375 PolarHBondContact O-N 3.07Å; L372-K376 HydrophobicContact CD1-CD 4.01Å; L372-K376 HydrophobicContact CD1-CG 4.06Å; L372-K376 HydrophobicContact CG-CD 4Å; L372-K376 HydrophobicContact CG-CG 4.43Å; L372-K376 WeakPolarHBondContact O-CB 3.34Å; L372-K376 VanDerWaalsContact O-CG 3.24Å; L372-K376 WeakPolarHBondContact O-CG 3.37Å; L372-K376 PolarHBondContact O-N 3.06Å; L372-L393 HydrophobicContact CD1-CB 3.72Å; L372-T394 WeakPolarHBondContact CD2-OG1 3.36Å; L372-I397 HydrophobicContact CB-CD1 3.48Å; L372-I397 VanDerWaalsContact CB-CD1 3.48Å; L372-I397 HydrophobicContact CD1-CD1 3.93Å; L372-I397 HydrophobicContact CG-CD1 4.26Å
373K95.4Very high93.1Very high21 Ų2132.3 Ų32.39%0.09118%0.184CC..Hα-helixtrans-64.6-41.4179.8-77.8-177.367.6-176.40111.5Y148 V152 N153 L199 V201 Y369 A370 C371 K376 A377Y148-K373 HydrophobicContact CE2-CB 3.81Å; Y148-K373 HydrophobicContact CE2-CD 4.25Å; Y148-K373 PolarHBondContact OH-NZ 3.08Å; V152-K373 HydrophobicContact CG1-CB 3.59Å; V152-K373 WeakPolarHBondContact CG1-O 3.44Å; N153-K373 PolarHBondContact OD1-NZ 3.29Å; L199-K373 HydrophobicContact CD2-CG 4.14Å; V201-K373 HydrophobicContact CG1-CB 3.81Å; V201-K373 HydrophobicContact CG1-CG 3.9Å; V201-K373 WeakPolarHBondContact CG1-O 3.41Å; Y369-K373 WeakPolarHBondContact O-CB 3.42Å; Y369-K373 WeakPolarHBondContact O-CG 3.38Å; Y369-K373 PolarHBondContact O-N 3.15Å; A370-K373 PolarHBondContact O-N 3.44Å; C371-K373 PolarHBondContact O-N 3.24Å; K373-K376 PolarHBondContact O-N 3.37Å; K373-A377 WeakPolarHBondContact O-CB 3.33Å; K373-A377 PolarHBondContact O-N 2.79Å
374A94Very high92.8Very high1 Ų126 Ų261%0.00816%0.16CC..Hα-helixtrans-60.1-47.7174.200000111.8A370 C371 K376 A377 A378 F416A370-A374 WeakPolarHBondContact O-CB 3.42Å; A370-A374 PolarHBondContact O-N 3.12Å; C371-A374 PolarHBondContact O-N 3.06Å; A374-K376 PolarHBondContact O-N 3.5Å; A374-A377 PolarHBondContact O-N 3.11Å; A374-A378 WeakPolarHBondContact O-CB 3.41Å; A374-A378 PolarHBondContact O-N 3.5Å; A374-F416 HydrophobicContact CB-CE2 4.49Å
375A94.6Very high92.8Very high5 Ų522.4 Ų22.44%0.04114%0.141CC..Hα-helixtrans-62.4-41.9177.200000112.5C371 L372 A378 C379 F416 L419C371-A375 WeakPolarHBondContact O-CB 3.34Å; C371-A375 PolarHBondContact O-N 3.35Å; L372-A375 PolarHBondContact O-N 3.07Å; A375-A378 PolarHBondContact O-N 2.91Å; A375-C379 PolarHBondContact O-N 3.34Å; A375-C379 PolarHBondContact O-SG 3.32Å; A375-F416 HydrophobicContact CB-CE2 4.24Å; A375-L419 HydrophobicContact CB-CD2 3.75Å
376K94.8Very high92.6Very high16 Ų1624.8 Ų24.87%0.0714%0.137CC..Hα-helixtrans-61.5-44.4175.6-76.3177.763.4165.40112.1S194 L199 V201 L372 K373 A374 C379 K380 S390 L393S194-K376 PolarHBondContact OG-NZ 3.49Å; L199-K376 WeakPolarHBondContact O-CE 3.36Å; L199-K376 PolarHBondContact O-NZ 2.65Å; V201-K376 HydrophobicContact CG1-CB 4.22Å; V201-K376 HydrophobicContact CG2-CB 3.84Å; L372-K376 HydrophobicContact CD1-CD 4.01Å; L372-K376 HydrophobicContact CD1-CG 4.06Å; L372-K376 HydrophobicContact CG-CD 4Å; L372-K376 HydrophobicContact CG-CG 4.43Å; L372-K376 WeakPolarHBondContact O-CB 3.34Å; L372-K376 VanDerWaalsContact O-CG 3.24Å; L372-K376 WeakPolarHBondContact O-CG 3.37Å; L372-K376 PolarHBondContact O-N 3.06Å; K373-K376 PolarHBondContact O-N 3.37Å; A374-K376 PolarHBondContact O-N 3.5Å; K376-C379 PolarHBondContact O-N 2.9Å; K376-K380 WeakPolarHBondContact O-CB 3.35Å; K376-K380 PolarHBondContact O-N 3Å; K376-S390 WeakPolarHBondContact CE-OG 3.42Å; K376-S390 PolarHBondContact NZ-OG 3.18Å; K376-S390 VanDerWaalsContact NZ-OG 3.09Å; K376-L393 HydrophobicContact CB-CD1 4.35Å; K376-L393 HydrophobicContact CG-CD1 3.67Å
377A93.4Very high92.5Very high0 Ų029.7 Ų29.70%015%0.151CC..Hα-helixtrans-66.6-43.2179.100000111F147 V152 V201 V202 K373 A374 C379 K380 L381F147-A377 HydrophobicContact CE1-CB 3.86Å; F147-A377 HydrophobicContact CZ-CB 3.75Å; V152-A377 HydrophobicContact CB-CB 4.25Å; V152-A377 HydrophobicContact CG1-CB 4.2Å; V152-A377 HydrophobicContact CG2-CB 3.61Å; V201-A377 HydrophobicContact CB-CB 4.13Å; V201-A377 HydrophobicContact CG2-CB 4.16Å; V202-A377 HydrophobicContact CG2-CB 4.1Å; K373-A377 WeakPolarHBondContact O-CB 3.33Å; K373-A377 PolarHBondContact O-N 2.79Å; A374-A377 PolarHBondContact O-N 3.11Å; A377-C379 VanDerWaalsContact C-N 3.31Å; A377-C379 PolarHBondContact O-N 3.3Å; A377-K380 PolarHBondContact O-N 3.25Å; A377-L381 WeakPolarHBondContact O-CB 3.5Å; A377-L381 WeakPolarHBondContact O-CD1 3.46Å; A377-L381 WeakPolarHBondContact O-CG 3.41Å; A377-L381 PolarHBondContact O-N 3.14Å
378A92.4Very high92.4Very high3 Ų329.9 Ų29.93%0.02515%0.151CC..Hα-helixtrans-56.9-45.3173.200000111.1A374 A375 K380 L381 N382A374-A378 WeakPolarHBondContact O-CB 3.41Å; A374-A378 PolarHBondContact O-N 3.5Å; A375-A378 PolarHBondContact O-N 2.91Å; A378-K380 PolarHBondContact O-N 2.93Å; A378-L381 PolarHBondContact O-N 2.78Å; A378-N382 WeakPolarHBondContact O-CB 3.32Å; A378-N382 PolarHBondContact O-N 3.48Å; A378-N382 PolarHBondContact O-ND2 2.88Å
379C92.8Very high92.2Very high10 Ų1032.9 Ų32.97%0.06817%0.168CC..Hα-helixtrans-65.9-37.7176.9-63.30000112.8A375 K376 A377 N382 L385 L393A375-C379 PolarHBondContact O-N 3.34Å; A375-C379 PolarHBondContact O-SG 3.32Å; K376-C379 PolarHBondContact O-N 2.9Å; A377-C379 VanDerWaalsContact C-N 3.31Å; A377-C379 PolarHBondContact O-N 3.3Å; C379-N382 VanDerWaalsContact O-O 3.05Å; C379-L385 HydrophobicContact CB-CB 4.11Å; C379-L393 HydrophobicContact CB-CD1 4.48Å
380K91.1Very high92.2Very high79 Ų7932.7 Ų32.734%0.34317%0.173SC..Hα-helixtrans-69.2-36.6179.8-175.7170.3178.4174.60112.6V201 V202 D205 K376 A377 A378 N382V201-K380 HydrophobicContact CG2-CD 4.31Å; V201-K380 PolarHBondContact O-NZ 3.33Å; V201-K380 VanDerWaalsContact O-NZ 3.14Å; V202-K380 HydrophobicContact CB-CD 4.11Å; V202-K380 HydrophobicContact CG2-CD 4.06Å; D205-K380 IonicContact OD1-NZ 2.75Å; D205-K380 PolarHBondContact OD1-NZ 2.86Å; D205-K380 VanDerWaalsContact OD2-CE 3.29Å; D205-K380 WeakPolarHBondContact OD2-CE 3.41Å; D205-K380 IonicContact OD2-NZ 3.21Å; D205-K380 PolarHBondContact OD2-NZ 3Å; K376-K380 WeakPolarHBondContact O-CB 3.35Å; K376-K380 PolarHBondContact O-N 3Å; A377-K380 PolarHBondContact O-N 3.25Å; A378-K380 PolarHBondContact O-N 2.93Å; K380-N382 VanDerWaalsContact C-N 3.35Å
381L89.7Confident92.2Very high42 Ų4234 Ų3422%0.2218%0.182CC..Hα-helixtrans-83.7-12.7-178.4-63.1165.4000112.6F147 V202 A377 A378 A472F147-L381 HydrophobicContact CE2-CD1 3.79Å; F147-L381 HydrophobicContact CZ-CD1 3.84Å; V202-L381 HydrophobicContact CG1-CD2 4.16Å; V202-L381 HydrophobicContact CG2-CD1 4.17Å; V202-L381 HydrophobicContact CG2-CD2 4.16Å; V202-L381 HydrophobicContact CG2-CG 4.12Å; A377-L381 WeakPolarHBondContact O-CB 3.5Å; A377-L381 WeakPolarHBondContact O-CD1 3.46Å; A377-L381 WeakPolarHBondContact O-CG 3.41Å; A377-L381 PolarHBondContact O-N 3.14Å; A378-L381 PolarHBondContact O-N 2.78Å; L381-A472 HydrophobicContact CB-CB 4.29Å; L381-A472 HydrophobicContact CD1-CB 3.65Å; L381-A472 HydrophobicContact CD2-CB 4.42Å; L381-A472 HydrophobicContact CG-CB 4.32Å
382N89.9Confident92.2Very high15 Ų1534.3 Ų34.38%0.0818%0.183CC..  trans-109110.5179.2-76.2-79.2000110.8A378 C379 K380 A384 L385 H386 L468 T471A378-N382 WeakPolarHBondContact O-CB 3.32Å; A378-N382 PolarHBondContact O-N 3.48Å; A378-N382 PolarHBondContact O-ND2 2.88Å; C379-N382 VanDerWaalsContact O-O 3.05Å; K380-N382 VanDerWaalsContact C-N 3.35Å; N382-A384 PolarHBondContact O-N 3.48Å; N382-A384 VanDerWaalsContact O-N 3.15Å; N382-L385 HydrophobicContact CB-CB 4.16Å; N382-L385 HydrophobicContact CB-CD1 4.13Å; N382-L385 HydrophobicContact CB-CG 4.17Å; N382-L385 PolarHBondContact O-N 3.32Å; N382-H386 PolarHBondContact O-N 3.05Å; N382-L468 PolarHBondContact ND2-O 3.11Å; N382-T471 VanDerWaalsContact CG-OG1 3.23Å; N382-T471 PolarHBondContact ND2-OG1 3.43Å; N382-T471 VanDerWaalsContact ND2-OG1 3.14Å; N382-T471 VanDerWaalsContact OD1-CB 3.22Å; N382-T471 WeakPolarHBondContact OD1-CB 3.36Å; N382-T471 PolarHBondContact OD1-OG1 3.25Å
383P88.6Confident92.2Very high110 Ų11034.4 Ų34.471%0.71418%0.184SC*.G310 helixtrans-56.4-33.7-180-27.535.3000113.8L385 H386P383-L385 PolarHBondContact O-N 2.91Å; P383-H386 PolarHBondContact O-ND1 3.1Å
384A88.6Confident92.3Very high30 Ų3033.8 Ų33.825%0.24818%0.182CC..G310 helixtrans-66.4-23.1176.800000113.3N382 L454 T457N382-A384 PolarHBondContact O-N 3.48Å; N382-A384 VanDerWaalsContact O-N 3.15Å; A384-L454 VanDerWaalsContact O-CD2 3.31Å; A384-L454 WeakPolarHBondContact O-CD2 3.25Å; A384-T457 HydrophobicContact CB-CG2 3.91Å
385L91.3Very high92.4Very high1 Ų133.7 Ų33.71%0.00518%0.181CC..G310 helixtrans-103.8-2.6-175.5-61.6-178.4000114.1C379 N382 P383 R387 L388 L454 T457 L458 L468C379-L385 HydrophobicContact CB-CB 4.11Å; N382-L385 HydrophobicContact CB-CB 4.16Å; N382-L385 HydrophobicContact CB-CD1 4.13Å; N382-L385 HydrophobicContact CB-CG 4.17Å; N382-L385 PolarHBondContact O-N 3.32Å; P383-L385 PolarHBondContact O-N 2.91Å; L385-R387 PolarHBondContact O-N 3.39Å; L385-L388 HydrophobicContact CD2-CD1 4.44Å; L385-L388 PolarHBondContact O-N 2.95Å; L385-L454 HydrophobicContact CD2-CD2 3.84Å; L385-T457 HydrophobicContact CD1-CG2 4.44Å; L385-T457 HydrophobicContact CD2-CG2 3.76Å; L385-T457 HydrophobicContact CG-CG2 3.97Å; L385-L458 HydrophobicContact CD1-CD2 3.98Å; L385-L458 HydrophobicContact CD2-CD2 3.86Å; L385-L458 HydrophobicContact CD2-CG 3.87Å; L385-L468 HydrophobicContact CD1-CD2 3.77Å
386H87.7Confident92.6Very high105 Ų10533.5 Ų33.549%0.48618%0.18SC..THydrogen-bonded Turntrans-59.6-20.3-175.180.8-76.5000114.2N382 P383 L388N382-H386 PolarHBondContact O-N 3.05Å; P383-H386 PolarHBondContact O-ND1 3.1Å; H386-L388 VanDerWaalsContact C-N 3.29Å
387R90.7Very high92.7Very high117 Ų11732.8 Ų32.844%0.44218%0.176SC..THydrogen-bonded Turntrans-72.1-20.7177-65-60.2-166.8-153.3-4.4113.1L385 N389 L446 E450 L454L385-R387 PolarHBondContact O-N 3.39Å; R387-N389 PolarHBondContact O-N 3.25Å; R387-L446 HydrophobicContact CB-CD2 4.42Å; R387-E450 IonicContact CZ-OE1 3.72Å; R387-E450 IonicContact NE-OE1 3.78Å; R387-E450 PolarHBondContact NE-OE1 2.89Å; R387-E450 VanDerWaalsContact NE-OE1 3.17Å; R387-L454 HydrophobicContact CB-CD1 4.28Å; R387-L454 HydrophobicContact CB-CD2 4.5Å
388L92.4Very high92.8Very high10 Ų1033 Ų335%0.05218%0.178CC..SBendtrans-74.3114.9174.2-70.9172.9000110L385 H386 F443 L454 L458L385-L388 HydrophobicContact CD2-CD1 4.44Å; L385-L388 PolarHBondContact O-N 2.95Å; H386-L388 VanDerWaalsContact C-N 3.29Å; L388-F443 HydrophobicContact CD2-CE1 4.06Å; L388-F443 HydrophobicContact CD2-CZ 4.47Å; L388-L454 HydrophobicContact CD1-CD2 4.13Å; L388-L454 HydrophobicContact CD2-CD1 4.01Å; L388-L454 HydrophobicContact CG-CD1 4.1Å; L388-L454 HydrophobicContact CG-CD2 3.86Å; L388-L458 HydrophobicContact CD1-CD1 4.18Å
389N91.1Very high93Very high71 Ų7134 Ų3438%0.3818%0.183SC..  trans-87.5165.4-178.171.548.1000111.9R387 S391 Q392 L393R387-N389 PolarHBondContact O-N 3.25Å; N389-S391 VanDerWaalsContact C-N 3.29Å; N389-S391 PolarHBondContact O-N 3.17Å; N389-S391 PolarHBondContact OD1-N 2.76Å; N389-Q392 PolarHBondContact ND2-NE2 3.19Å; N389-Q392 PolarHBondContact O-N 3.48Å; N389-Q392 WeakPolarHBondContact OD1-CG 3.49Å; N389-Q392 PolarHBondContact OD1-N 3.42Å; N389-L393 PolarHBondContact O-N 3.11Å
390S92.4Very high93.2Very high41 Ų4134.2 Ų34.229%0.28718%0.183SC..Hα-helixtrans-60.9-35.7-178.8-65.90000113.3K376 L393 T394K376-S390 WeakPolarHBondContact CE-OG 3.42Å; K376-S390 PolarHBondContact NZ-OG 3.18Å; K376-S390 VanDerWaalsContact NZ-OG 3.09Å; S390-L393 PolarHBondContact O-N 2.96Å; S390-T394 WeakPolarHBondContact O-CB 3.41Å; S390-T394 PolarHBondContact O-N 2.89Å; S390-T394 PolarHBondContact O-OG1 3.15Å
391S93.3Very high93.4Very high38 Ų3831.2 Ų31.227%0.26617%0.172SC..Hα-helixtrans-68.8-39.6-179.2174.70000111.7E353 N389 L393 T394 N395E353-S391 PolarHBondContact OE1-OG 3.06Å; E353-S391 PolarHBondContact OE2-OG 3.49Å; N389-S391 VanDerWaalsContact C-N 3.29Å; N389-S391 PolarHBondContact O-N 3.17Å; N389-S391 PolarHBondContact OD1-N 2.76Å; S391-L393 PolarHBondContact O-N 3.39Å; S391-T394 PolarHBondContact O-N 3.46Å; S391-N395 WeakPolarHBondContact O-CB 3.24Å; S391-N395 PolarHBondContact O-N 2.88Å; S391-N395 PolarHBondContact O-ND2 3.22Å; S391-N395 PolarHBondContact OG-ND2 3.41Å
392Q95.8Very high93.5Very high5 Ų536 Ų362%0.02319%0.193CC..Hα-helixtrans-59.8-47173.6-70.9162.4-12.100111.1N389 N395 A396 L432 L442 F443N389-Q392 PolarHBondContact ND2-NE2 3.19Å; N389-Q392 PolarHBondContact O-N 3.48Å; N389-Q392 WeakPolarHBondContact OD1-CG 3.49Å; N389-Q392 PolarHBondContact OD1-N 3.42Å; Q392-N395 PolarHBondContact O-N 3.37Å; Q392-A396 WeakPolarHBondContact O-CB 3.38Å; Q392-A396 PolarHBondContact O-N 3.49Å; Q392-L432 HydrophobicContact CB-CD2 3.81Å; Q392-L432 HydrophobicContact CG-CD2 4.1Å; Q392-L432 WeakPolarHBondContact O-CD2 3.25Å; Q392-L442 HydrophobicContact CG-CB 3.93Å; Q392-L442 PolarHBondContact NE2-O 3.22Å; Q392-F443 HydrophobicContact CB-CE1 4.31Å; Q392-F443 HydrophobicContact CG-CD1 4.18Å; Q392-F443 HydrophobicContact CG-CE1 3.99Å
393L96.8Very high93.7Very high3 Ų343 Ų432%0.01622%0.223CC..Hα-helixtrans-64.8-41.3177.6-64.1175.2000112.3L372 K376 C379 N389 S390 S391 A396 I397 L423L372-L393 HydrophobicContact CD1-CB 3.72Å; K376-L393 HydrophobicContact CB-CD1 4.35Å; K376-L393 HydrophobicContact CG-CD1 3.67Å; C379-L393 HydrophobicContact CB-CD1 4.48Å; N389-L393 PolarHBondContact O-N 3.11Å; S390-L393 PolarHBondContact O-N 2.96Å; S391-L393 PolarHBondContact O-N 3.39Å; L393-A396 PolarHBondContact O-N 2.87Å; L393-I397 WeakPolarHBondContact O-CG1 3.3Å; L393-I397 PolarHBondContact O-N 3.26Å; L393-I397 VanDerWaalsContact O-N 3.14Å; L393-L423 HydrophobicContact CD2-CD1 3.86Å; L393-L423 HydrophobicContact CD2-CD2 4.49Å
394T96.9Very high93.8Very high7 Ų740.8 Ų40.84%0.04320%0.203CC..Hα-helixtrans-62.1-46.5176.3-62.50000111.4E353 L357 L372 S390 S391 A396 I397 L398E353-T394 HydrophobicContact CB-CG2 4.01Å; L357-T394 HydrophobicContact CD2-CG2 4.45Å; L372-T394 WeakPolarHBondContact CD2-OG1 3.36Å; S390-T394 WeakPolarHBondContact O-CB 3.41Å; S390-T394 PolarHBondContact O-N 2.89Å; S390-T394 PolarHBondContact O-OG1 3.15Å; S391-T394 PolarHBondContact O-N 3.46Å; T394-A396 PolarHBondContact O-N 3.2Å; T394-I397 PolarHBondContact O-N 3.45Å; T394-L398 HydrophobicContact CG2-CD1 4.15Å; T394-L398 HydrophobicContact CG2-CG 4.43Å; T394-L398 WeakPolarHBondContact O-CG 3.49Å; T394-L398 PolarHBondContact O-N 2.81Å
395N97.5Very high93.7Very high0 Ų042.5 Ų42.50%022%0.224CC..Hα-helixtrans-66.2-38.5178.9-80.9-85.5000112.5E353 S391 Q392 I397 L398 L399 C434 A435 L442E353-N395 VanDerWaalsContact CD-ND2 3.28Å; E353-N395 PolarHBondContact OE1-ND2 2.85Å; S391-N395 WeakPolarHBondContact O-CB 3.24Å; S391-N395 PolarHBondContact O-N 2.88Å; S391-N395 PolarHBondContact O-ND2 3.22Å; S391-N395 PolarHBondContact OG-ND2 3.41Å; Q392-N395 PolarHBondContact O-N 3.37Å; N395-I397 VanDerWaalsContact C-N 3.27Å; N395-I397 PolarHBondContact O-N 2.68Å; N395-L398 PolarHBondContact O-N 2.98Å; N395-L399 WeakPolarHBondContact O-CB 3.37Å; N395-L399 VanDerWaalsContact O-CG 3.29Å; N395-L399 WeakPolarHBondContact O-CG 3.33Å; N395-L399 PolarHBondContact O-N 2.92Å; N395-C434 WeakPolarHBondContact OD1-CA 3.34Å; N395-A435 PolarHBondContact OD1-N 2.72Å; N395-L442 HydrophobicContact CB-CD1 3.48Å; N395-L442 VanDerWaalsContact CB-CD1 3.48Å; N395-L442 VanDerWaalsContact CG-CD1 3.42Å; N395-L442 VanDerWaalsContact ND2-CD1 3.34Å; N395-L442 WeakPolarHBondContact ND2-CD1 3.39Å
396A97.1Very high93.7Very high1 Ų146.1 Ų46.11%0.00824%0.243CC..Hα-helixtrans-59.7-38.9174.300000112Q392 L393 T394 L400 L419 L423 L432Q392-A396 WeakPolarHBondContact O-CB 3.38Å; Q392-A396 PolarHBondContact O-N 3.49Å; L393-A396 PolarHBondContact O-N 2.87Å; T394-A396 PolarHBondContact O-N 3.2Å; A396-L400 VanDerWaalsContact O-CB 3.31Å; A396-L400 WeakPolarHBondContact O-CB 3.43Å; A396-L400 PolarHBondContact O-N 2.9Å; A396-L419 HydrophobicContact CB-CD1 3.61Å; A396-L423 HydrophobicContact CB-CD2 3.63Å; A396-L423 HydrophobicContact CB-CG 4.23Å; A396-L432 HydrophobicContact CB-CD1 4.45Å
397I96.9Very high94.1Very high0 Ų041.3 Ų41.30%022%0.221CC..Hα-helixtrans-70.7-40174.8-71.1173.4000112.1L357 R368 C371 L372 L393 T394 N395 L400 S401 W407 L419L357-I397 HydrophobicContact CD1-CG2 3.82Å; R368-I397 HydrophobicContact CB-CG2 3.96Å; R368-I397 HydrophobicContact CG-CG2 4.33Å; C371-I397 HydrophobicContact CB-CD1 4.45Å; L372-I397 HydrophobicContact CB-CD1 3.48Å; L372-I397 VanDerWaalsContact CB-CD1 3.48Å; L372-I397 HydrophobicContact CD1-CD1 3.93Å; L372-I397 HydrophobicContact CG-CD1 4.26Å; L393-I397 WeakPolarHBondContact O-CG1 3.3Å; L393-I397 PolarHBondContact O-N 3.26Å; L393-I397 VanDerWaalsContact O-N 3.14Å; T394-I397 PolarHBondContact O-N 3.45Å; N395-I397 VanDerWaalsContact C-N 3.27Å; N395-I397 PolarHBondContact O-N 2.68Å; I397-L400 PolarHBondContact O-N 2.64Å; I397-S401 WeakPolarHBondContact O-CB 3.49Å; I397-S401 PolarHBondContact O-N 3Å; I397-S401 PolarHBondContact O-OG 3.1Å; I397-W407 HydrophobicContact CG2-CH2 3.92Å; I397-W407 HydrophobicContact CG2-CZ3 4.33Å; I397-L419 HydrophobicContact CD1-CD2 3.96Å; I397-L419 HydrophobicContact CG1-CD1 3.79Å; I397-L419 HydrophobicContact CG1-CD2 3.86Å; I397-L419 HydrophobicContact CG1-CG 4.41Å
398L96.8Very high94.3Very high5 Ų539.2 Ų39.23%0.02622%0.221CC..Hα-helixtrans-61.3-47.1176-71173.9000111.1E353 R356 L357 L360 T394 N395 L400 S401 E402 A435E353-L398 HydrophobicContact CB-CD1 4.38Å; E353-L398 HydrophobicContact CG-CD1 4.48Å; R356-L398 HydrophobicContact CB-CD2 4.36Å; R356-L398 HydrophobicContact CG-CD2 3.92Å; L357-L398 HydrophobicContact CB-CD2 4.26Å; L357-L398 HydrophobicContact CD1-CD2 4.04Å; L360-L398 HydrophobicContact CD1-CD2 4.06Å; T394-L398 HydrophobicContact CG2-CD1 4.15Å; T394-L398 HydrophobicContact CG2-CG 4.43Å; T394-L398 WeakPolarHBondContact O-CG 3.49Å; T394-L398 PolarHBondContact O-N 2.81Å; N395-L398 PolarHBondContact O-N 2.98Å; L398-L400 VanDerWaalsContact C-N 3.32Å; L398-L400 PolarHBondContact O-N 3.19Å; L398-S401 WeakPolarHBondContact O-CB 3.34Å; L398-S401 PolarHBondContact O-N 3.42Å; L398-S401 VanDerWaalsContact O-N 3.11Å; L398-E402 PolarHBondContact O-N 3.21Å; L398-A435 HydrophobicContact CB-CB 3.82Å; L398-A435 HydrophobicContact CD1-CB 4.17Å
399L96.5Very high94.2Very high24 Ų2447.4 Ų47.413%0.12625%0.251CS..Hα-helixtrans-64.2-35.4175.9-67.9171.5000112.5N395 S401 E402 L432 P433 A435N395-L399 WeakPolarHBondContact O-CB 3.37Å; N395-L399 VanDerWaalsContact O-CG 3.29Å; N395-L399 WeakPolarHBondContact O-CG 3.33Å; N395-L399 PolarHBondContact O-N 2.92Å; L399-S401 VanDerWaalsContact C-N 3.33Å; L399-E402 PolarHBondContact O-N 2.81Å; L399-L432 HydrophobicContact CD1-CD1 3.98Å; L399-P433 HydrophobicContact CD1-CG 3.97Å; L399-A435 HydrophobicContact CD2-CB 4.17Å; L399-A435 HydrophobicContact CG-CB 4.32Å
400L96Very high94.1Very high14 Ų1452.2 Ų52.27%0.07327%0.271CS..Hα-helixtrans-67.4-37.2173.4-175.860.9000111.2A396 I397 L398 E402 K403 E404 W407 Q418 L419A396-L400 VanDerWaalsContact O-CB 3.31Å; A396-L400 WeakPolarHBondContact O-CB 3.43Å; A396-L400 PolarHBondContact O-N 2.9Å; I397-L400 PolarHBondContact O-N 2.64Å; L398-L400 VanDerWaalsContact C-N 3.32Å; L398-L400 PolarHBondContact O-N 3.19Å; L400-E402 PolarHBondContact O-N 2.85Å; L400-K403 PolarHBondContact O-N 2.84Å; L400-E404 HydrophobicContact CD1-CG 3.76Å; L400-E404 HydrophobicContact CG-CG 4.32Å; L400-E404 WeakPolarHBondContact O-CB 3.4Å; L400-E404 PolarHBondContact O-N 3.34Å; L400-W407 HydrophobicContact CB-CZ2 4.31Å; L400-W407 HydrophobicContact CD2-CH2 3.95Å; L400-W407 HydrophobicContact CD2-CZ2 4.24Å; L400-W407 HydrophobicContact CG-CH2 4.21Å; L400-W407 HydrophobicContact CG-CZ2 4.01Å; L400-Q418 HydrophobicContact CD1-CB 4.13Å; L400-Q418 HydrophobicContact CD2-CB 4.01Å; L400-L419 HydrophobicContact CD2-CB 4.22Å
401S95Very high94Very high17 Ų1750.6 Ų50.612%0.11926%0.261CS..Hα-helixtrans-66.7-24.3178.9-57.80000113.2R368 I397 L398 L399 K403 W407R368-S401 WeakPolarHBondContact CD-OG 3.21Å; R368-S401 PolarHBondContact NE-OG 3.11Å; I397-S401 WeakPolarHBondContact O-CB 3.49Å; I397-S401 PolarHBondContact O-N 3Å; I397-S401 PolarHBondContact O-OG 3.1Å; L398-S401 WeakPolarHBondContact O-CB 3.34Å; L398-S401 PolarHBondContact O-N 3.42Å; L398-S401 VanDerWaalsContact O-N 3.11Å; L399-S401 VanDerWaalsContact C-N 3.33Å; S401-K403 VanDerWaalsContact C-N 3.32Å; S401-W407 WeakPolarHBondContact OG-CZ2 3.46Å
402E93.4Very high94Very high141 Ų14148.9 Ų48.966%0.65925%0.248SC*.Hα-helixtrans-72.8-27.2172.6-68.6175.4-178.800112.5L398 L399 L400L398-E402 PolarHBondContact O-N 3.21Å; L399-E402 PolarHBondContact O-N 2.81Å; L400-E402 PolarHBondContact O-N 2.85Å
403K92.1Very high93.9Very high164 Ų16448.8 Ų48.871%0.71325%0.248SC*.Hα-helixtrans-93.2-34.9-178.1-63.4177-176.6175.80112.6L400 S401L400-K403 PolarHBondContact O-N 2.84Å; S401-K403 VanDerWaalsContact C-N 3.32Å
404E91.9Very high93.7Very high63 Ų6350.8 Ų50.829%0.29426%0.259SS..  trans-115.4124.1-171.8-64.7-7417200110.4L400 W407 R415 Q418L400-E404 HydrophobicContact CD1-CG 3.76Å; L400-E404 HydrophobicContact CG-CG 4.32Å; L400-E404 WeakPolarHBondContact O-CB 3.4Å; L400-E404 PolarHBondContact O-N 3.34Å; E404-W407 PolarHBondContact O-NE1 3.22Å; E404-R415 IonicContact OE2-CZ 3.59Å; E404-R415 IonicContact OE2-NH1 3.78Å; E404-R415 PolarHBondContact OE2-NH1 2.75Å; E404-R415 IonicContact OE2-NH2 2.79Å; E404-Q418 PolarHBondContact OE1-NE2 3.04Å
405G86.3Confident93.6Very high66 Ų6651.1 Ų51.168%0.6826%0.259SS*.  trans-89.7-30.1-177.900000114.9W407G405-W407 PolarHBondContact O-N 2.99Å
406D92.2Very high93.5Very high77 Ų7751.1 Ų51.141%0.41226%0.26SS..  trans-84.4107.6-176.5168.523.2000110.9T408 R415D406-T408 VanDerWaalsContact OD1-CB 3.32Å; D406-T408 WeakPolarHBondContact OD1-CB 3.48Å; D406-T408 WeakPolarHBondContact OD1-CG2 3.23Å; D406-T408 PolarHBondContact OD1-N 3.08Å; D406-T408 PolarHBondContact OD1-OG1 2.87Å; D406-R415 PolarHBondContact O-NE 2.99Å; D406-R415 PolarHBondContact O-NH2 3.11Å; D406-R415 IonicContact OD2-NH2 3.91Å
407W95.7Very high93.3Very high4 Ų452 Ų522%0.01526%0.264CS..  trans-115.125.6174.5-72.784.3000112.2G366 C367 R368 C371 I397 L400 S401 E404 G405 R415G366-W407 CarbonylContact C-O 3.49Å; G366-W407 WeakPolarHBondContact CA-O 3.18Å; C367-W407 PolarHBondContact N-O 2.87Å; C367-W407 PolarHBondContact SG-O 3.45Å; R368-W407 HydrophobicContact CB-CE3 4.11Å; R368-W407 HydrophobicContact CB-CZ3 4.18Å; R368-W407 HydrophobicContact CG-CB 4.44Å; R368-W407 HydrophobicContact CG-CD2 3.41Å; R368-W407 VanDerWaalsContact CG-CD2 3.41Å; R368-W407 HydrophobicContact CG-CE3 3.27Å; R368-W407 HydrophobicContact CG-CG 3.95Å; R368-W407 HydrophobicContact CG-CH2 4.12Å; R368-W407 HydrophobicContact CG-CZ2 4.27Å; R368-W407 HydrophobicContact CG-CZ3 3.64Å; R368-W407 VanDerWaalsContact CZ-CD1 3.46Å; R368-W407 VanDerWaalsContact CZ-CG 3.45Å; C371-W407 HydrophobicContact CB-CZ3 4.39Å; I397-W407 HydrophobicContact CG2-CH2 3.92Å; I397-W407 HydrophobicContact CG2-CZ3 4.33Å; L400-W407 HydrophobicContact CB-CZ2 4.31Å; L400-W407 HydrophobicContact CD2-CH2 3.95Å; L400-W407 HydrophobicContact CD2-CZ2 4.24Å; L400-W407 HydrophobicContact CG-CH2 4.21Å; L400-W407 HydrophobicContact CG-CZ2 4.01Å; S401-W407 WeakPolarHBondContact OG-CZ2 3.46Å; E404-W407 PolarHBondContact O-NE1 3.22Å; G405-W407 PolarHBondContact O-N 2.99Å; W407-R415 HydrophobicContact CD2-CG 4.3Å; W407-R415 HydrophobicContact CE3-CB 4.29Å; W407-R415 HydrophobicContact CE3-CG 3.89Å; W407-R415 HydrophobicContact CH2-CB 4.37Å; W407-R415 HydrophobicContact CH2-CG 4.39Å; W407-R415 HydrophobicContact CZ3-CB 3.91Å; W407-R415 HydrophobicContact CZ3-CG 3.96Å
408T93.5Very high93.2Very high73 Ų7354.1 Ų54.145%0.44827%0.274SS..  trans-58.5159177.659.70000111.8C367 D406 E410 A411C367-T408 PolarHBondContact SG-O 3.22Å; D406-T408 VanDerWaalsContact OD1-CB 3.32Å; D406-T408 WeakPolarHBondContact OD1-CB 3.48Å; D406-T408 WeakPolarHBondContact OD1-CG2 3.23Å; D406-T408 PolarHBondContact OD1-N 3.08Å; D406-T408 PolarHBondContact OD1-OG1 2.87Å; T408-E410 PolarHBondContact O-N 3.29Å; T408-A411 PolarHBondContact O-N 2.9Å; T408-A411 VanDerWaalsContact O-N 3.1Å
409R90.1Very high93.2Very high181 Ų18154 Ų5468%0.68327%0.273SS*.G310 helixtrans-59.4-30.6-179.9-67.9-177179.2-172.4-0.5112.7Q141 A411Q141-R409 PolarHBondContact NE2-O 3.3Å; R409-A411 VanDerWaalsContact C-N 3.33Å
410E89.3Confident93.1Very high173 Ų17353.1 Ų53.181%0.80827%0.269SS*.G310 helixtrans-73.5-25.5-179.5-62.4179.2-173.100112.5Q141 T408 L412Q141-E410 PolarHBondContact OE1-O 3.19Å; T408-E410 PolarHBondContact O-N 3.29Å; E410-L412 VanDerWaalsContact C-N 3.3Å; E410-L412 PolarHBondContact O-N 2.77Å
411A91.4Very high93.1Very high7 Ų759 Ų596%0.05829%0.29CS..G310 helixtrans-84.11.6179.600000114T408 R409 A413 D414 R415T408-A411 PolarHBondContact O-N 2.9Å; T408-A411 VanDerWaalsContact O-N 3.1Å; R409-A411 VanDerWaalsContact C-N 3.33Å; A411-A413 VanDerWaalsContact C-N 3.34Å; A411-A413 PolarHBondContact O-N 2.81Å; A411-D414 PolarHBondContact O-N 2.79Å; A411-D414 VanDerWaalsContact O-N 3.12Å; A411-R415 HydrophobicContact CB-CG 4.45Å; A411-R415 WeakPolarHBondContact O-CG 3.47Å; A411-R415 PolarHBondContact O-N 2.86Å
412L93.4Very high93.1Very high2 Ų259.4 Ų59.41%0.0129%0.294CS..Hα-helixtrans-55.6-44.9-174.1177.464.3000112.6L144 W145 C367 A370 C371 E410 R415 F416L144-L412 HydrophobicContact CB-CD2 4.41Å; W145-L412 HydrophobicContact CZ2-CD2 4.35Å; C367-L412 HydrophobicContact CB-CD1 4.36Å; A370-L412 HydrophobicContact CB-CD1 4.43Å; C371-L412 HydrophobicContact CB-CD1 3.71Å; E410-L412 VanDerWaalsContact C-N 3.3Å; E410-L412 PolarHBondContact O-N 2.77Å; L412-R415 PolarHBondContact O-N 2.91Å; L412-F416 VanDerWaalsContact O-CB 3.3Å; L412-F416 WeakPolarHBondContact O-CB 3.29Å; L412-F416 PolarHBondContact O-N 3.47Å
413A92.4Very high93.3Very high3 Ų352.8 Ų52.83%0.02526%0.264CS..Hα-helixtrans-62.9-43.5178.100000112.2L140 Q141 L144 A411 F416 L417L140-A413 HydrophobicContact CB-CB 4.36Å; L140-A413 HydrophobicContact CD2-CB 4.17Å; L140-A413 HydrophobicContact CG-CB 4.13Å; Q141-A413 HydrophobicContact CB-CB 4.01Å; Q141-A413 VanDerWaalsContact OE1-CB 3.28Å; L144-A413 HydrophobicContact CD1-CB 4.01Å; A411-A413 VanDerWaalsContact C-N 3.34Å; A411-A413 PolarHBondContact O-N 2.81Å; A413-F416 PolarHBondContact O-N 2.84Å; A413-L417 WeakPolarHBondContact O-CG 3.45Å; A413-L417 PolarHBondContact O-N 2.83Å
414D92.9Very high93.5Very high45 Ų4545.4 Ų45.424%0.24123%0.232CC..Hα-helixtrans-65.5-42.6178.1-77.7-25.4000110.9R137 A411 L417 Q418R137-D414 WeakPolarHBondContact CD-OD1 3.49Å; R137-D414 IonicContact CZ-OD1 3.51Å; R137-D414 VanDerWaalsContact CZ-OD1 3.29Å; R137-D414 IonicContact CZ-OD2 3.41Å; R137-D414 IonicContact NE-OD1 2.64Å; R137-D414 PolarHBondContact NE-OD1 3.32Å; R137-D414 IonicContact NH1-OD1 2.81Å; R137-D414 PolarHBondContact NH1-OD1 3.33Å; R137-D414 IonicContact NH1-OD2 3.52Å; R137-D414 PolarHBondContact NH1-OD2 3.38Å; A411-D414 PolarHBondContact O-N 2.79Å; A411-D414 VanDerWaalsContact O-N 3.12Å; D414-L417 PolarHBondContact O-N 3.06Å; D414-Q418 WeakPolarHBondContact O-CB 3.45Å; D414-Q418 VanDerWaalsContact O-CG 3.27Å; D414-Q418 WeakPolarHBondContact O-CG 3.28Å; D414-Q418 PolarHBondContact O-N 3.37Å
415R95.1Very high93.6Very high13 Ų1344 Ų445%0.04923%0.234CC..Hα-helixtrans-65.8-38.7175.7-66.6-66.8167.1-91-10.1112.6E404 D406 W407 A411 L412 Q418 L419E404-R415 IonicContact OE2-CZ 3.59Å; E404-R415 IonicContact OE2-NH1 3.78Å; E404-R415 PolarHBondContact OE2-NH1 2.75Å; E404-R415 IonicContact OE2-NH2 2.79Å; D406-R415 PolarHBondContact O-NE 2.99Å; D406-R415 PolarHBondContact O-NH2 3.11Å; D406-R415 IonicContact OD2-NH2 3.91Å; W407-R415 HydrophobicContact CD2-CG 4.3Å; W407-R415 HydrophobicContact CE3-CB 4.29Å; W407-R415 HydrophobicContact CE3-CG 3.89Å; W407-R415 HydrophobicContact CH2-CB 4.37Å; W407-R415 HydrophobicContact CH2-CG 4.39Å; W407-R415 HydrophobicContact CZ3-CB 3.91Å; W407-R415 HydrophobicContact CZ3-CG 3.96Å; A411-R415 HydrophobicContact CB-CG 4.45Å; A411-R415 WeakPolarHBondContact O-CG 3.47Å; A411-R415 PolarHBondContact O-N 2.86Å; L412-R415 PolarHBondContact O-N 2.91Å; R415-Q418 VanDerWaalsContact NH1-CD 3.31Å; R415-Q418 PolarHBondContact O-N 3.34Å; R415-L419 WeakPolarHBondContact O-CB 3.42Å; R415-L419 PolarHBondContact O-N 3.02Å
416F94.6Very high94.1Very high1 Ų142.5 Ų42.50%0.00421%0.21CC..Hα-helixtrans-63-46.5175.3-175.7-101.1000111.1L144 A374 A375 L412 A413 Q418 L419 L420L144-F416 HydrophobicContact CD1-CB 4.01Å; L144-F416 HydrophobicContact CD1-CD1 4.26Å; L144-F416 HydrophobicContact CD1-CG 4.19Å; L144-F416 HydrophobicContact CD2-CD1 4.13Å; L144-F416 HydrophobicContact CD2-CD2 4.35Å; L144-F416 HydrophobicContact CD2-CE1 4.26Å; L144-F416 HydrophobicContact CD2-CE2 4.48Å; L144-F416 HydrophobicContact CD2-CG 4.17Å; L144-F416 HydrophobicContact CD2-CZ 4.43Å; A374-F416 HydrophobicContact CB-CE2 4.49Å; A375-F416 HydrophobicContact CB-CE2 4.24Å; L412-F416 VanDerWaalsContact O-CB 3.3Å; L412-F416 WeakPolarHBondContact O-CB 3.29Å; L412-F416 PolarHBondContact O-N 3.47Å; A413-F416 PolarHBondContact O-N 2.84Å; F416-Q418 PolarHBondContact O-N 3.24Å; F416-L419 WeakPolarHBondContact O-CB 3.46Å; F416-L419 PolarHBondContact O-N 3.31Å; F416-L420 HydrophobicContact CD1-CD1 4.14Å; F416-L420 HydrophobicContact CE1-CD1 3.72Å; F416-L420 HydrophobicContact CE1-CG 4.25Å; F416-L420 HydrophobicContact CZ-CD1 4.33Å; F416-L420 HydrophobicContact CZ-CD2 4.45Å; F416-L420 WeakPolarHBondContact O-CG 3.17Å; F416-L420 PolarHBondContact O-N 3.4Å
417L93.8Very high94.3Very high19 Ų1939 Ų3910%0.09919%0.191CC..Hα-helixtrans-64.6-39.9175.9-69.2176.5000112.4L140 A413 D414 L419 L420 R421 P465L140-L417 HydrophobicContact CD2-CD1 3.81Å; L140-L417 HydrophobicContact CD2-CD2 4.01Å; L140-L417 HydrophobicContact CD2-CG 3.86Å; A413-L417 WeakPolarHBondContact O-CG 3.45Å; A413-L417 PolarHBondContact O-N 2.83Å; D414-L417 PolarHBondContact O-N 3.06Å; L417-L419 VanDerWaalsContact C-N 3.34Å; L417-L420 PolarHBondContact O-N 3.48Å; L417-R421 WeakPolarHBondContact O-CG 3.35Å; L417-R421 PolarHBondContact O-N 3.44Å; L417-P465 HydrophobicContact CD2-CB 3.75Å; L417-P465 HydrophobicContact CD2-CG 3.95Å
418Q95.2Very high94.2Very high45 Ų4544.7 Ų44.721%0.2122%0.218CC..Hα-helixtrans-64-38.9174.4-76177.8-16.900112.1L400 E404 D414 R415 F416 R421 A422L400-Q418 HydrophobicContact CD1-CB 4.13Å; L400-Q418 HydrophobicContact CD2-CB 4.01Å; E404-Q418 PolarHBondContact OE1-NE2 3.04Å; D414-Q418 WeakPolarHBondContact O-CB 3.45Å; D414-Q418 VanDerWaalsContact O-CG 3.27Å; D414-Q418 WeakPolarHBondContact O-CG 3.28Å; D414-Q418 PolarHBondContact O-N 3.37Å; R415-Q418 VanDerWaalsContact NH1-CD 3.31Å; R415-Q418 PolarHBondContact O-N 3.34Å; F416-Q418 PolarHBondContact O-N 3.24Å; Q418-R421 PolarHBondContact O-N 3.07Å; Q418-A422 VanDerWaalsContact O-CB 3.31Å; Q418-A422 WeakPolarHBondContact O-CB 3.25Å; Q418-A422 PolarHBondContact O-N 3.14Å
419L96.3Very high94.3Very high1 Ų144.7 Ų44.71%0.00523%0.225CC..Hα-helixtrans-60.3-47.4173.8174.964000111A375 A396 I397 L400 R415 F416 L417 R421 A422 L423A375-L419 HydrophobicContact CB-CD2 3.75Å; A396-L419 HydrophobicContact CB-CD1 3.61Å; I397-L419 HydrophobicContact CD1-CD2 3.96Å; I397-L419 HydrophobicContact CG1-CD1 3.79Å; I397-L419 HydrophobicContact CG1-CD2 3.86Å; I397-L419 HydrophobicContact CG1-CG 4.41Å; L400-L419 HydrophobicContact CD2-CB 4.22Å; R415-L419 WeakPolarHBondContact O-CB 3.42Å; R415-L419 PolarHBondContact O-N 3.02Å; F416-L419 WeakPolarHBondContact O-CB 3.46Å; F416-L419 PolarHBondContact O-N 3.31Å; L417-L419 VanDerWaalsContact C-N 3.34Å; L419-R421 VanDerWaalsContact C-N 3.34Å; L419-R421 PolarHBondContact O-N 2.8Å; L419-A422 PolarHBondContact O-N 2.83Å; L419-L423 HydrophobicContact CD1-CD1 4.14Å; L419-L423 HydrophobicContact CD1-CG 4.17Å; L419-L423 HydrophobicContact CG-CD1 4.04Å; L419-L423 HydrophobicContact CG-CG 4.48Å; L419-L423 WeakPolarHBondContact O-CB 3.4Å; L419-L423 VanDerWaalsContact O-CG 3.32Å; L419-L423 WeakPolarHBondContact O-CG 3.37Å; L419-L423 PolarHBondContact O-N 3.44Å
420L94.9Very high94.4Very high7 Ų737.8 Ų37.84%0.03721%0.21CC..Hα-helixtrans-59-45.1176.3-65.3-180000111.5F416 L417 A422 L423 V424 L458 L462 L468F416-L420 HydrophobicContact CD1-CD1 4.14Å; F416-L420 HydrophobicContact CE1-CD1 3.72Å; F416-L420 HydrophobicContact CE1-CG 4.25Å; F416-L420 HydrophobicContact CZ-CD1 4.33Å; F416-L420 HydrophobicContact CZ-CD2 4.45Å; F416-L420 WeakPolarHBondContact O-CG 3.17Å; F416-L420 PolarHBondContact O-N 3.4Å; L417-L420 PolarHBondContact O-N 3.48Å; L420-A422 PolarHBondContact O-N 3.01Å; L420-L423 PolarHBondContact O-N 3.5Å; L420-V424 WeakPolarHBondContact O-CG2 3.21Å; L420-V424 PolarHBondContact O-N 3Å; L420-L458 HydrophobicContact CD2-CD2 3.85Å; L420-L462 HydrophobicContact CB-CD2 3.56Å; L420-L462 HydrophobicContact CB-CG 4.39Å; L420-L462 HydrophobicContact CD1-CD2 4.39Å; L420-L468 HydrophobicContact CD1-CD1 4.04Å; L420-L468 HydrophobicContact CD2-CD1 4.07Å
421R95.7Very high94.7Very high137 Ų13735.1 Ų35.152%0.51719%0.193SC..Hα-helixtrans-62.8-42.3176.4-68.9-177-164.1107.52.2112.2L417 Q418 L419 V424 G425 L462L417-R421 WeakPolarHBondContact O-CG 3.35Å; L417-R421 PolarHBondContact O-N 3.44Å; Q418-R421 PolarHBondContact O-N 3.07Å; L419-R421 VanDerWaalsContact C-N 3.34Å; L419-R421 PolarHBondContact O-N 2.8Å; R421-V424 PolarHBondContact O-N 3.12Å; R421-G425 PolarHBondContact O-N 3.41Å; R421-L462 HydrophobicContact CG-CD1 3.98Å; R421-L462 HydrophobicContact CG-CD2 3.55Å; R421-L462 HydrophobicContact CG-CG 4.44Å
422A96.1Very high94.9Very high26 Ų2634.8 Ų34.822%0.21519%0.19CC..Hα-helixtrans-63.8-43.917800000111.1Q418 L419 L420 G425 H426Q418-A422 VanDerWaalsContact O-CB 3.31Å; Q418-A422 WeakPolarHBondContact O-CB 3.25Å; Q418-A422 PolarHBondContact O-N 3.14Å; L419-A422 PolarHBondContact O-N 2.83Å; L420-A422 PolarHBondContact O-N 3.01Å; A422-G425 PolarHBondContact O-N 3.15Å; A422-H426 PolarHBondContact O-CD2 3.28Å; A422-H426 PolarHBondContact O-N 3.23Å
423L96.3Very high95.1Very high2 Ų236.1 Ų36.11%0.0120%0.199CC..Hα-helixtrans-60.7-45.7176.1-74170.1000111.8L393 A396 L419 L420 G425 H426 L427 L458L393-L423 HydrophobicContact CD2-CD1 3.86Å; L393-L423 HydrophobicContact CD2-CD2 4.49Å; A396-L423 HydrophobicContact CB-CD2 3.63Å; A396-L423 HydrophobicContact CB-CG 4.23Å; L419-L423 HydrophobicContact CD1-CD1 4.14Å; L419-L423 HydrophobicContact CD1-CG 4.17Å; L419-L423 HydrophobicContact CG-CD1 4.04Å; L419-L423 HydrophobicContact CG-CG 4.48Å; L419-L423 WeakPolarHBondContact O-CB 3.4Å; L419-L423 VanDerWaalsContact O-CG 3.32Å; L419-L423 WeakPolarHBondContact O-CG 3.37Å; L419-L423 PolarHBondContact O-N 3.44Å; L420-L423 PolarHBondContact O-N 3.5Å; L423-G425 VanDerWaalsContact C-N 3.35Å; L423-G425 PolarHBondContact O-N 2.92Å; L423-H426 PolarHBondContact O-N 2.87Å; L423-L427 VanDerWaalsContact O-CG 3.3Å; L423-L427 WeakPolarHBondContact O-CG 3.44Å; L423-L427 PolarHBondContact O-N 2.84Å; L423-L458 HydrophobicContact CB-CD1 3.98Å
424V95.6Very high95.2Very high9 Ų936 Ų366%0.05520%0.198CC..Hα-helixtrans-57.8-48.2174.1172.10000110.6L420 R421 H426 L427 E428 L458 Y459 L462L420-V424 WeakPolarHBondContact O-CG2 3.21Å; L420-V424 PolarHBondContact O-N 3Å; R421-V424 PolarHBondContact O-N 3.12Å; V424-H426 VanDerWaalsContact C-N 3.32Å; V424-H426 PolarHBondContact O-N 2.92Å; V424-L427 PolarHBondContact O-N 2.87Å; V424-L427 VanDerWaalsContact O-N 3.14Å; V424-E428 HydrophobicContact CG1-CG 4.33Å; V424-E428 WeakPolarHBondContact O-CG 3.38Å; V424-E428 PolarHBondContact O-N 3.06Å; V424-L458 HydrophobicContact CG2-CB 3.55Å; V424-Y459 HydrophobicContact CG1-CD2 4.47Å; V424-L462 HydrophobicContact CG2-CD1 4.08Å
425G95.9Very high95.3Very high33 Ų3335 Ų3534%0.3420%0.196SC..Hα-helixtrans-61.3-37177.900000113.6R421 A422 L423 A429R421-G425 PolarHBondContact O-N 3.41Å; A422-G425 PolarHBondContact O-N 3.15Å; L423-G425 VanDerWaalsContact C-N 3.35Å; L423-G425 PolarHBondContact O-N 2.92Å; G425-A429 WeakPolarHBondContact O-CB 3.4Å; G425-A429 PolarHBondContact O-N 3.32Å
426H96.7Very high95.2Very high34 Ų3437.9 Ų37.916%0.15721%0.212CC..Hα-helixtrans-69.1-35.9174.8-74.7-58.3000112.8A422 L423 V424 A429 G430 R431 L432 F443A422-H426 PolarHBondContact O-CD2 3.28Å; A422-H426 PolarHBondContact O-N 3.23Å; L423-H426 PolarHBondContact O-N 2.87Å; V424-H426 VanDerWaalsContact C-N 3.32Å; V424-H426 PolarHBondContact O-N 2.92Å; H426-A429 PolarHBondContact O-N 2.91Å; H426-G430 PolarHBondContact O-N 3.29Å; H426-G430 VanDerWaalsContact O-N 3.14Å; H426-R431 PolarHBondContact ND1-O 2.91Å; H426-R431 VanDerWaalsContact ND1-O 3.14Å; H426-R431 PolarHBondContact O-N 3.16Å; H426-L432 HydrophobicContact CB-CB 4.3Å; H426-L432 HydrophobicContact CB-CD1 4.2Å; H426-F443 HydrophobicContact CB-CE2 3.86Å
427L95.8Very high95.2Very high5 Ų539.6 Ų39.63%0.02622%0.221CC..Hα-helixtrans-69.6-43.5175.7-72.1164.1000110.9L423 V424 A429 G430 F443 V451 L454 L458L423-L427 VanDerWaalsContact O-CG 3.3Å; L423-L427 WeakPolarHBondContact O-CG 3.44Å; L423-L427 PolarHBondContact O-N 2.84Å; V424-L427 PolarHBondContact O-N 2.87Å; V424-L427 VanDerWaalsContact O-N 3.14Å; L427-A429 VanDerWaalsContact C-N 3.26Å; L427-A429 PolarHBondContact O-N 2.89Å; L427-G430 WeakPolarHBondContact O-CA 3.37Å; L427-G430 PolarHBondContact O-N 2.92Å; L427-F443 HydrophobicContact CD2-CD2 4.1Å; L427-F443 HydrophobicContact CD2-CE1 4.34Å; L427-F443 HydrophobicContact CD2-CE2 3.56Å; L427-F443 HydrophobicContact CD2-CZ 3.7Å; L427-F443 HydrophobicContact CG-CE2 3.79Å; L427-F443 HydrophobicContact CG-CZ 3.99Å; L427-V451 HydrophobicContact CB-CG1 4.17Å; L427-V451 HydrophobicContact CD2-CB 4.47Å; L427-V451 HydrophobicContact CD2-CG1 4Å; L427-V451 HydrophobicContact CD2-CG2 4.47Å; L427-V451 VanDerWaalsContact O-CG1 3.27Å; L427-V451 WeakPolarHBondContact O-CG1 3.19Å; L427-L454 HydrophobicContact CD1-CB 3.91Å; L427-L454 HydrophobicContact CD2-CB 4.21Å; L427-L454 HydrophobicContact CD2-CD1 4.34Å; L427-L458 HydrophobicContact CD1-CD1 3.62Å
428E94.2Very high95.2Very high123 Ų12342.8 Ų42.858%0.57524%0.243SC*.Hα-helixtrans-59.6-37.3173.9-73178171.100112.2V424 G430V424-E428 HydrophobicContact CG1-CG 4.33Å; V424-E428 WeakPolarHBondContact O-CG 3.38Å; V424-E428 PolarHBondContact O-N 3.06Å; E428-G430 VanDerWaalsContact C-N 3.25Å; E428-G430 PolarHBondContact O-N 2.77Å
429A94.1Very high95.1Very high72 Ų7246.8 Ų46.860%0.59526%0.26SS*.THydrogen-bonded Turntrans-76.5-9.5174.200000113.6G425 H426 L427 R431G425-A429 WeakPolarHBondContact O-CB 3.4Å; G425-A429 PolarHBondContact O-N 3.32Å; H426-A429 PolarHBondContact O-N 2.91Å; L427-A429 VanDerWaalsContact C-N 3.26Å; L427-A429 PolarHBondContact O-N 2.89Å; A429-R431 PolarHBondContact O-N 2.93Å; A429-R431 VanDerWaalsContact O-N 3.15Å
430G92.9Very high95.1Very high37 Ų3747.2 Ų47.238%0.38126%0.262SS..THydrogen-bonded Turntrans61.316.2-172.200000113.9H426 L427 E428 N441H426-G430 PolarHBondContact O-N 3.29Å; H426-G430 VanDerWaalsContact O-N 3.14Å; L427-G430 WeakPolarHBondContact O-CA 3.37Å; L427-G430 PolarHBondContact O-N 2.92Å; E428-G430 VanDerWaalsContact C-N 3.25Å; E428-G430 PolarHBondContact O-N 2.77Å; G430-N441 PolarHBondContact O-ND2 3.47Å; G430-N441 VanDerWaalsContact O-ND2 3.11Å
431R94.7Very high95.1Very high117 Ų11748.4 Ų48.444%0.44227%0.268SS..  trans-145.5118.2-171.4-170.7-179.5-180109.55.7112.4H426 A429 P438 K439 N441H426-R431 PolarHBondContact ND1-O 2.91Å; H426-R431 VanDerWaalsContact ND1-O 3.14Å; H426-R431 PolarHBondContact O-N 3.16Å; A429-R431 PolarHBondContact O-N 2.93Å; A429-R431 VanDerWaalsContact O-N 3.15Å; R431-P438 PolarHBondContact NH2-O 3.36Å; R431-K439 PolarHBondContact NH2-O 2.84Å; R431-N441 WeakPolarHBondContact CA-OD1 3.37Å; R431-N441 HydrophobicContact CG-CB 4.28Å
432L96.7Very high95.1Very high0 Ų043 Ų430%025%0.249CC..  trans-112.8103.7165.1177.664.2000108.6Q392 A396 L399 H426 N441 L442 F443Q392-L432 HydrophobicContact CB-CD2 3.81Å; Q392-L432 HydrophobicContact CG-CD2 4.1Å; Q392-L432 WeakPolarHBondContact O-CD2 3.25Å; A396-L432 HydrophobicContact CB-CD1 4.45Å; L399-L432 HydrophobicContact CD1-CD1 3.98Å; H426-L432 HydrophobicContact CB-CB 4.3Å; H426-L432 HydrophobicContact CB-CD1 4.2Å; L432-N441 PolarHBondContact N-OD1 2.9Å; L432-N441 PolarHBondContact O-OD1 2.73Å; L432-L442 HydrophobicContact CB-CB 4.38Å; L432-L442 HydrophobicContact CD2-CB 4.15Å; L432-L442 HydrophobicContact CD2-CD1 4.11Å; L432-L442 HydrophobicContact CG-CB 4.29Å; L432-L442 HydrophobicContact CG-CD1 4.22Å; L432-L442 PolarHBondContact O-N 3.49Å; L432-F443 HydrophobicContact CB-CD1 4.1Å; L432-F443 HydrophobicContact CB-CD2 3.69Å; L432-F443 HydrophobicContact CB-CE1 4.03Å; L432-F443 HydrophobicContact CB-CE2 3.6Å; L432-F443 HydrophobicContact CB-CG 3.95Å; L432-F443 HydrophobicContact CB-CZ 3.78Å; L432-F443 HydrophobicContact CD2-CD1 4.38Å; L432-F443 HydrophobicContact CD2-CE1 3.77Å; L432-F443 HydrophobicContact CD2-CZ 3.85Å; L432-F443 HydrophobicContact CG-CZ 4.41Å
433P96.4Very high95.1Very high30 Ų3042 Ų4220%0.19524%0.24CC..BIsolated β-bridgetrans-68.1145.617728-31.8000111L399 V440L399-P433 HydrophobicContact CD1-CG 3.97Å; P433-V440 WeakPolarHBondContact CA-O 3.43Å
434C96Very high94.8Very high1 Ų144.2 Ų44.21%0.00726%0.255CS..  trans-70.2131.3165.9175.60000109.6N395 L436 N437 P438 V440 L442N395-C434 WeakPolarHBondContact OD1-CA 3.34Å; C434-L436 PolarHBondContact O-N 2.99Å; C434-N437 WeakPolarHBondContact CB-O 3.44Å; C434-N437 CarbonylContact O-C 3.46Å; C434-N437 PolarHBondContact O-N 3.33Å; C434-P438 WeakPolarHBondContact O-CA 3.26Å; C434-V440 HydrophobicContact CB-CB 4.04Å; C434-V440 PolarHBondContact N-O 3.39Å; C434-L442 HydrophobicContact CB-CD1 4.39Å; C434-L442 HydrophobicContact CB-CD2 4.23Å; C434-L442 HydrophobicContact CB-CG 4.29Å
435A94.5Very high94.6Very high23 Ų2345.2 Ų45.219%0.1926%0.259CS..SBendtrans-63.2-30.8-179.400000112.1N395 L398 L399N395-A435 PolarHBondContact OD1-N 2.72Å; L398-A435 HydrophobicContact CB-CB 3.82Å; L398-A435 HydrophobicContact CD1-CB 4.17Å; L399-A435 HydrophobicContact CD2-CB 4.17Å; L399-A435 HydrophobicContact CG-CB 4.32Å
436L93.6Very high94.5Very high74 Ų7444.7 Ų44.739%0.38725%0.249SC..SBendtrans-85.9-24.9178.7-59.2177.5000113.2F349 A352 E353 C434F349-L436 HydrophobicContact CB-CD1 4.28Å; F349-L436 HydrophobicContact CD1-CB 4.28Å; F349-L436 HydrophobicContact CD1-CD1 4.38Å; A352-L436 HydrophobicContact CB-CD1 3.42Å; A352-L436 VanDerWaalsContact CB-CD1 3.42Å; E353-L436 HydrophobicContact CG-CD1 3.85Å; C434-L436 PolarHBondContact O-N 2.99Å
437N93.8Very high94.3Very high36 Ų3645.5 Ų45.519%0.19326%0.256CS..  trans-14694.6176-175.1-7.4000110.6F349 C434 K439 V440F349-N437 HydrophobicContact CE1-CB 4.06Å; F349-N437 HydrophobicContact CZ-CB 4.09Å; C434-N437 WeakPolarHBondContact CB-O 3.44Å; C434-N437 CarbonylContact O-C 3.46Å; C434-N437 PolarHBondContact O-N 3.33Å; N437-K439 PolarHBondContact O-N 2.83Å; N437-K439 WeakPolarHBondContact OD1-CB 3.33Å; N437-K439 PolarHBondContact OD1-N 2.81Å; N437-V440 HydrophobicContact CB-CG2 4.12Å; N437-V440 PolarHBondContact O-N 3.14Å
438P94.1Very high94.1Very high86 Ų8653.3 Ų53.356%0.55829%0.293SS*.THydrogen-bonded Turntrans-61.4-16.6-175.1-26.535.2000115.4R431 C434 V440R431-P438 PolarHBondContact NH2-O 3.36Å; C434-P438 WeakPolarHBondContact O-CA 3.26Å; P438-V440 VanDerWaalsContact C-N 3.28Å; P438-V440 PolarHBondContact O-N 3.22Å
439K93.5Very high94.1Very high130 Ų13054.7 Ų54.757%0.56530%0.299SS*.THydrogen-bonded Turntrans-65.8-33.5174.9-62.8-177.7178.9-178.60111.6P233 R431 N437P233-K439 HydrophobicContact CB-CB 4.37Å; R431-K439 PolarHBondContact NH2-O 2.84Å; N437-K439 PolarHBondContact O-N 2.83Å; N437-K439 WeakPolarHBondContact OD1-CB 3.33Å; N437-K439 PolarHBondContact OD1-N 2.81Å
440V95.4Very high94.1Very high9 Ų952.1 Ų52.16%0.05528%0.275CS..  trans-78.1122.5-177.6-175.40000110.1P233 F349 P433 C434 N437 P438 L442P233-V440 HydrophobicContact CB-CG2 4.34Å; F349-V440 HydrophobicContact CE2-CG2 4.23Å; F349-V440 HydrophobicContact CZ-CG2 4.12Å; P433-V440 WeakPolarHBondContact CA-O 3.43Å; C434-V440 HydrophobicContact CB-CB 4.04Å; C434-V440 PolarHBondContact N-O 3.39Å; N437-V440 HydrophobicContact CB-CG2 4.12Å; N437-V440 PolarHBondContact O-N 3.14Å; P438-V440 VanDerWaalsContact C-N 3.28Å; P438-V440 PolarHBondContact O-N 3.22Å; V440-L442 HydrophobicContact CG1-CD2 4.29Å
441N95.7Very high94.1Very high32 Ų3251.4 Ų51.417%0.17126%0.263CS..BIsolated β-bridgetrans-94.6115.4170.4-179.512.6000109.6G430 R431 L432 F443 C444G430-N441 PolarHBondContact O-ND2 3.47Å; G430-N441 VanDerWaalsContact O-ND2 3.11Å; R431-N441 WeakPolarHBondContact CA-OD1 3.37Å; R431-N441 HydrophobicContact CG-CB 4.28Å; L432-N441 PolarHBondContact N-OD1 2.9Å; L432-N441 PolarHBondContact O-OD1 2.73Å; N441-F443 PolarHBondContact O-N 2.74Å; N441-F443 PolarHBondContact OD1-N 3.25Å; N441-C444 HydrophobicContact CB-CB 4.41Å; N441-C444 WeakPolarHBondContact O-CB 3.47Å; N441-C444 PolarHBondContact O-N 3.38Å; N441-C444 PolarHBondContact O-SG 3.28Å
442L95.2Very high94Very high23 Ų2351.5 Ų51.512%0.1227%0.272CS..THydrogen-bonded Turntrans-73.8-10.8-179.6-60.2176.1000113.6Q392 N395 L432 C434 V440Q392-L442 HydrophobicContact CG-CB 3.93Å; Q392-L442 PolarHBondContact NE2-O 3.22Å; N395-L442 HydrophobicContact CB-CD1 3.48Å; N395-L442 VanDerWaalsContact CB-CD1 3.48Å; N395-L442 VanDerWaalsContact CG-CD1 3.42Å; N395-L442 VanDerWaalsContact ND2-CD1 3.34Å; N395-L442 WeakPolarHBondContact ND2-CD1 3.39Å; L432-L442 HydrophobicContact CB-CB 4.38Å; L432-L442 HydrophobicContact CD2-CB 4.15Å; L432-L442 HydrophobicContact CD2-CD1 4.11Å; L432-L442 HydrophobicContact CG-CB 4.29Å; L432-L442 HydrophobicContact CG-CD1 4.22Å; L432-L442 PolarHBondContact O-N 3.49Å; C434-L442 HydrophobicContact CB-CD1 4.39Å; C434-L442 HydrophobicContact CB-CD2 4.23Å; C434-L442 HydrophobicContact CB-CG 4.29Å; V440-L442 HydrophobicContact CG1-CD2 4.29Å
443F95.3Very high93.9Very high6 Ų656.2 Ų56.23%0.02629%0.294CS..THydrogen-bonded Turntrans-94.93.1172.8-66.3-22.2000113.5L388 Q392 H426 L427 L432 N441 E445 L446L388-F443 HydrophobicContact CD2-CE1 4.06Å; L388-F443 HydrophobicContact CD2-CZ 4.47Å; Q392-F443 HydrophobicContact CB-CE1 4.31Å; Q392-F443 HydrophobicContact CG-CD1 4.18Å; Q392-F443 HydrophobicContact CG-CE1 3.99Å; H426-F443 HydrophobicContact CB-CE2 3.86Å; L427-F443 HydrophobicContact CD2-CD2 4.1Å; L427-F443 HydrophobicContact CD2-CE1 4.34Å; L427-F443 HydrophobicContact CD2-CE2 3.56Å; L427-F443 HydrophobicContact CD2-CZ 3.7Å; L427-F443 HydrophobicContact CG-CE2 3.79Å; L427-F443 HydrophobicContact CG-CZ 3.99Å; L432-F443 HydrophobicContact CB-CD1 4.1Å; L432-F443 HydrophobicContact CB-CD2 3.69Å; L432-F443 HydrophobicContact CB-CE1 4.03Å; L432-F443 HydrophobicContact CB-CE2 3.6Å; L432-F443 HydrophobicContact CB-CG 3.95Å; L432-F443 HydrophobicContact CB-CZ 3.78Å; L432-F443 HydrophobicContact CD2-CD1 4.38Å; L432-F443 HydrophobicContact CD2-CE1 3.77Å; L432-F443 HydrophobicContact CD2-CZ 3.85Å; L432-F443 HydrophobicContact CG-CZ 4.41Å; N441-F443 PolarHBondContact O-N 2.74Å; N441-F443 PolarHBondContact OD1-N 3.25Å; F443-E445 PolarHBondContact O-N 3.27Å; F443-L446 HydrophobicContact CB-CD1 4.13Å; F443-L446 HydrophobicContact CD1-CD1 3.5Å; F443-L446 HydrophobicContact CD1-CG 4.48Å; F443-L446 HydrophobicContact CE1-CD1 4.08Å; F443-L446 HydrophobicContact CG-CD1 3.95Å; F443-L446 PolarHBondContact O-N 3Å
444C91.3Very high93.8Very high48 Ų4854.9 Ų54.932%0.32429%0.286SS..THydrogen-bonded Turntrans-59.2-22-177.5650000114.4N441N441-C444 HydrophobicContact CB-CB 4.41Å; N441-C444 WeakPolarHBondContact O-CB 3.47Å; N441-C444 PolarHBondContact O-N 3.38Å; N441-C444 PolarHBondContact O-SG 3.28Å
445E91.4Very high93.7Very high30 Ų3055.5 Ų55.514%0.1429%0.292CS..THydrogen-bonded Turntrans-97.30.2179.7-63.3-173.8102.600113.8H334 R335 R346 F443H334-E445 WeakPolarHBondContact CA-OE1 3.17Å; H334-E445 IonicContact CG-OE1 2.64Å; H334-E445 IonicContact ND1-OE1 3.79Å; R335-E445 HydrophobicContact CB-CB 4.35Å; R335-E445 VanDerWaalsContact CZ-O 3.22Å; R335-E445 PolarHBondContact N-OE1 3.44Å; R335-E445 PolarHBondContact NE-O 3.03Å; R335-E445 PolarHBondContact NH2-O 3.37Å; R346-E445 IonicContact CZ-OE1 2.68Å; R346-E445 IonicContact CZ-OE2 3.01Å; R346-E445 VanDerWaalsContact CZ-OE2 3.26Å; R346-E445 IonicContact NH1-OE1 3.96Å; R346-E445 IonicContact NH1-OE2 3.64Å; R346-E445 PolarHBondContact NH1-OE2 3.11Å; R346-E445 IonicContact NH2-OE1 3.75Å; R346-E445 PolarHBondContact NH2-OE1 3.22Å; R346-E445 IonicContact NH2-OE2 2.68Å; R346-E445 PolarHBondContact NH2-OE2 3.04Å; F443-E445 PolarHBondContact O-N 3.27Å
446L93.1Very high93.6Very high22 Ų2261.7 Ų61.712%0.11531%0.311CS..SBendtrans-88.2142.4174-61.1179.2000109.9R387 F443 V451 L454R387-L446 HydrophobicContact CB-CD2 4.42Å; F443-L446 HydrophobicContact CB-CD1 4.13Å; F443-L446 HydrophobicContact CD1-CD1 3.5Å; F443-L446 HydrophobicContact CD1-CG 4.48Å; F443-L446 HydrophobicContact CE1-CD1 4.08Å; F443-L446 HydrophobicContact CG-CD1 3.95Å; F443-L446 PolarHBondContact O-N 3Å; L446-V451 HydrophobicContact CB-CG2 3.8Å; L446-V451 HydrophobicContact CD1-CG2 4.25Å; L446-L454 HydrophobicContact CD1-CD1 3.99Å
447T93.3Very high93.6Very high51 Ų5159.6 Ų59.631%0.31330%0.302SS..  trans-78.8157.9170.961.80000110.4L336 Q449 E450 V451L336-T447 HydrophobicContact CD2-CG2 3.9Å; T447-Q449 PolarHBondContact O-N 3.15Å; T447-E450 WeakPolarHBondContact CB-OE2 3.49Å; T447-E450 WeakPolarHBondContact CG2-OE2 3.39Å; T447-E450 PolarHBondContact N-OE2 3.34Å; T447-E450 PolarHBondContact O-N 3.34Å; T447-E450 VanDerWaalsContact O-N 3.11Å; T447-E450 VanDerWaalsContact OG1-CD 3.24Å; T447-E450 VanDerWaalsContact OG1-CG 3.26Å; T447-E450 WeakPolarHBondContact OG1-CG 3.19Å; T447-E450 PolarHBondContact OG1-N 3.39Å; T447-E450 PolarHBondContact OG1-OE2 3.28Å; T447-V451 WeakPolarHBondContact O-CG2 3.32Å; T447-V451 PolarHBondContact O-N 3.03Å
448E91.8Very high93.5Very high169 Ų16958 Ų5879%0.7929%0.293SS*.Hα-helixtrans-55.7-40175.9-64-179.3175.300111.9V451 D452E448-V451 PolarHBondContact O-N 3.23Å; E448-D452 PolarHBondContact O-N 3.27Å
449Q92.5Very high93.4Very high152 Ų15257.8 Ų57.871%0.7128%0.282SS*.Hα-helixtrans-63.2-43.1177-176.7179.2-8.200112.4T447 V451 D452 E453T447-Q449 PolarHBondContact O-N 3.15Å; Q449-V451 VanDerWaalsContact C-N 3.34Å; Q449-D452 PolarHBondContact O-N 3Å; Q449-E453 WeakPolarHBondContact O-CB 3.37Å; Q449-E453 PolarHBondContact O-N 3.13Å
450E93.9Very high93.2Very high19 Ų1953.7 Ų53.79%0.08927%0.269CS..Hα-helixtrans-67.3-37.3177-72.3161145.200111.2R335 R387 T447 E453 L454R335-E450 IonicContact CZ-OE1 2.88Å; R335-E450 IonicContact CZ-OE2 2.61Å; R335-E450 IonicContact NH1-OE1 2.83Å; R335-E450 PolarHBondContact NH1-OE1 2.94Å; R335-E450 IonicContact NH1-OE2 2.85Å; R335-E450 IonicContact NH2-OE1 3Å; R335-E450 PolarHBondContact NH2-OE1 2.84Å; R335-E450 IonicContact NH2-OE2 3.18Å; R335-E450 PolarHBondContact NH2-OE2 3.34Å; R387-E450 IonicContact CZ-OE1 3.72Å; R387-E450 IonicContact NE-OE1 3.78Å; R387-E450 PolarHBondContact NE-OE1 2.89Å; R387-E450 VanDerWaalsContact NE-OE1 3.17Å; T447-E450 WeakPolarHBondContact CB-OE2 3.49Å; T447-E450 WeakPolarHBondContact CG2-OE2 3.39Å; T447-E450 PolarHBondContact N-OE2 3.34Å; T447-E450 PolarHBondContact O-N 3.34Å; T447-E450 VanDerWaalsContact O-N 3.11Å; T447-E450 VanDerWaalsContact OG1-CD 3.24Å; T447-E450 VanDerWaalsContact OG1-CG 3.26Å; T447-E450 WeakPolarHBondContact OG1-CG 3.19Å; T447-E450 PolarHBondContact OG1-N 3.39Å; T447-E450 PolarHBondContact OG1-OE2 3.28Å; E450-E453 PolarHBondContact O-N 3.48Å; E450-L454 VanDerWaalsContact O-CB 3.26Å; E450-L454 WeakPolarHBondContact O-CB 3.3Å; E450-L454 WeakPolarHBondContact O-CD1 3.42Å; E450-L454 WeakPolarHBondContact O-CG 3.48Å; E450-L454 PolarHBondContact O-N 2.71Å
451V94.6Very high92.9Very high21 Ų2153.4 Ų53.413%0.12727%0.268CS..Hα-helixtrans-62.1-45.1175.4172.10000110.8L427 L446 T447 E448 Q449 G455L427-V451 HydrophobicContact CB-CG1 4.17Å; L427-V451 HydrophobicContact CD2-CB 4.47Å; L427-V451 HydrophobicContact CD2-CG1 4Å; L427-V451 HydrophobicContact CD2-CG2 4.47Å; L427-V451 VanDerWaalsContact O-CG1 3.27Å; L427-V451 WeakPolarHBondContact O-CG1 3.19Å; L446-V451 HydrophobicContact CB-CG2 3.8Å; L446-V451 HydrophobicContact CD1-CG2 4.25Å; T447-V451 WeakPolarHBondContact O-CG2 3.32Å; T447-V451 PolarHBondContact O-N 3.03Å; E448-V451 PolarHBondContact O-N 3.23Å; Q449-V451 VanDerWaalsContact C-N 3.34Å; V451-G455 PolarHBondContact O-N 2.94Å
452D92.5Very high92.6Very high120 Ų12053.9 Ų53.964%0.64227%0.27SS*.Hα-helixtrans-64.3-44.2177.7-78-14.4000112.1E448 Q449 G455 Y456E448-D452 PolarHBondContact O-N 3.27Å; Q449-D452 PolarHBondContact O-N 3Å; D452-G455 PolarHBondContact O-N 2.8Å; D452-Y456 WeakPolarHBondContact O-CB 3.32Å; D452-Y456 PolarHBondContact O-N 2.83Å
453E93.9Very high92.1Very high99 Ų9957.7 Ų57.746%0.46330%0.298SS..Hα-helixtrans-63.9-45.2178.5-176.4177.4-174.800112Q449 E450 T457Q449-E453 WeakPolarHBondContact O-CB 3.37Å; Q449-E453 PolarHBondContact O-N 3.13Å; E450-E453 PolarHBondContact O-N 3.48Å; E453-T457 WeakPolarHBondContact O-CB 3.3Å; E453-T457 PolarHBondContact O-N 3Å; E453-T457 PolarHBondContact O-OG1 2.9Å
454L94.9Very high91.5Very high2 Ų260.4 Ų60.41%0.0131%0.313CS..Hα-helixtrans-61.7-46.6174.9-72.4171.9000111A384 L385 R387 L388 L427 L446 E450 T457 L458A384-L454 VanDerWaalsContact O-CD2 3.31Å; A384-L454 WeakPolarHBondContact O-CD2 3.25Å; L385-L454 HydrophobicContact CD2-CD2 3.84Å; R387-L454 HydrophobicContact CB-CD1 4.28Å; R387-L454 HydrophobicContact CB-CD2 4.5Å; L388-L454 HydrophobicContact CD1-CD2 4.13Å; L388-L454 HydrophobicContact CD2-CD1 4.01Å; L388-L454 HydrophobicContact CG-CD1 4.1Å; L388-L454 HydrophobicContact CG-CD2 3.86Å; L427-L454 HydrophobicContact CD1-CB 3.91Å; L427-L454 HydrophobicContact CD2-CB 4.21Å; L427-L454 HydrophobicContact CD2-CD1 4.34Å; L446-L454 HydrophobicContact CD1-CD1 3.99Å; E450-L454 VanDerWaalsContact O-CB 3.26Å; E450-L454 WeakPolarHBondContact O-CB 3.3Å; E450-L454 WeakPolarHBondContact O-CD1 3.42Å; E450-L454 WeakPolarHBondContact O-CG 3.48Å; E450-L454 PolarHBondContact O-N 2.71Å; L454-T457 PolarHBondContact O-N 2.82Å; L454-L458 WeakPolarHBondContact O-CB 3.39Å; L454-L458 VanDerWaalsContact O-CG 3.3Å; L454-L458 WeakPolarHBondContact O-CG 3.49Å; L454-L458 PolarHBondContact O-N 2.94Å
455G93.5Very high91.2Very high13 Ų1359 Ų5913%0.13430%0.304CS..Hα-helixtrans-61.1-47.4-179.700000111.9V451 D452 L458 Y459V451-G455 PolarHBondContact O-N 2.94Å; D452-G455 PolarHBondContact O-N 2.8Å; G455-L458 PolarHBondContact O-N 3.18Å; G455-Y459 VanDerWaalsContact O-CB 3.26Å; G455-Y459 WeakPolarHBondContact O-CB 3.45Å; G455-Y459 PolarHBondContact O-N 3.13Å
456Y92.2Very high90.8Very high153 Ų15359.1 Ų59.160%0.630%0.304SS*.Hα-helixtrans-61.6-46.8177.5179.5-105.6000112.1D452 L458 Y459 C460D452-Y456 WeakPolarHBondContact O-CB 3.32Å; D452-Y456 PolarHBondContact O-N 2.83Å; Y456-L458 PolarHBondContact O-N 3.03Å; Y456-Y459 PolarHBondContact O-N 2.99Å; Y456-C460 VanDerWaalsContact CZ-SG 3.57Å; Y456-C460 PolarHBondContact O-N 3.15Å; Y456-C460 PolarHBondContact O-SG 2.76Å; Y456-C460 VanDerWaalsContact O-SG 3.41Å
457T92.9Very high90.3Very high31 Ų3162.9 Ų62.919%0.1932%0.321CS..Hα-helixtrans-61.1-46.2-179.8-57.40000111.5A384 L385 E453 L454 Y459 C460 A461A384-T457 HydrophobicContact CB-CG2 3.91Å; L385-T457 HydrophobicContact CD1-CG2 4.44Å; L385-T457 HydrophobicContact CD2-CG2 3.76Å; L385-T457 HydrophobicContact CG-CG2 3.97Å; E453-T457 WeakPolarHBondContact O-CB 3.3Å; E453-T457 PolarHBondContact O-N 3Å; E453-T457 PolarHBondContact O-OG1 2.9Å; L454-T457 PolarHBondContact O-N 2.82Å; T457-Y459 VanDerWaalsContact C-N 3.34Å; T457-C460 PolarHBondContact O-N 3.15Å; T457-A461 PolarHBondContact O-N 3.05Å
458L93.3Very high89.8Confident2 Ų260.8 Ų60.81%0.0131%0.308CS..Hα-helixtrans-67.4-35.1177.4-68.4173.6000112.1L385 L388 L420 L423 V424 L427 L454 G455 Y456 A461 L462L385-L458 HydrophobicContact CD1-CD2 3.98Å; L385-L458 HydrophobicContact CD2-CD2 3.86Å; L385-L458 HydrophobicContact CD2-CG 3.87Å; L388-L458 HydrophobicContact CD1-CD1 4.18Å; L420-L458 HydrophobicContact CD2-CD2 3.85Å; L423-L458 HydrophobicContact CB-CD1 3.98Å; V424-L458 HydrophobicContact CG2-CB 3.55Å; L427-L458 HydrophobicContact CD1-CD1 3.62Å; L454-L458 WeakPolarHBondContact O-CB 3.39Å; L454-L458 VanDerWaalsContact O-CG 3.3Å; L454-L458 WeakPolarHBondContact O-CG 3.49Å; L454-L458 PolarHBondContact O-N 2.94Å; G455-L458 PolarHBondContact O-N 3.18Å; Y456-L458 PolarHBondContact O-N 3.03Å; L458-A461 WeakPolarHBondContact O-CB 3.49Å; L458-A461 PolarHBondContact O-N 3.07Å; L458-L462 WeakPolarHBondContact O-CG 3.4Å; L458-L462 PolarHBondContact O-N 2.91Å
459Y91.8Very high89.4Confident82 Ų8253.6 Ų53.632%0.32228%0.275SS..Hα-helixtrans-65-43.9175.7-173.2-90.1000112.1V424 G455 Y456 T457 A461 L462V424-Y459 HydrophobicContact CG1-CD2 4.47Å; G455-Y459 VanDerWaalsContact O-CB 3.26Å; G455-Y459 WeakPolarHBondContact O-CB 3.45Å; G455-Y459 PolarHBondContact O-N 3.13Å; Y456-Y459 PolarHBondContact O-N 2.99Å; T457-Y459 VanDerWaalsContact C-N 3.34Å; Y459-A461 VanDerWaalsContact C-N 3.28Å; Y459-A461 PolarHBondContact O-N 3.32Å; Y459-L462 WeakPolarHBondContact O-CB 3.35Å; Y459-L462 PolarHBondContact O-N 2.93Å; Y459-L462 VanDerWaalsContact O-N 3.15Å
460C89.4Confident88.4Confident44 Ų4453 Ų5330%0.29727%0.266SS..Hα-helixtrans-58.8-42.7172.5-710000111.2Y456 T457 L462 S463 D464Y456-C460 VanDerWaalsContact CZ-SG 3.57Å; Y456-C460 PolarHBondContact O-N 3.15Å; Y456-C460 PolarHBondContact O-SG 2.76Å; Y456-C460 VanDerWaalsContact O-SG 3.41Å; T457-C460 PolarHBondContact O-N 3.15Å; C460-L462 VanDerWaalsContact C-N 3.26Å; C460-L462 PolarHBondContact O-N 3.3Å; C460-S463 WeakPolarHBondContact O-CB 3.3Å; C460-S463 PolarHBondContact O-N 3.05Å; C460-S463 VanDerWaalsContact O-N 3.1Å; C460-D464 PolarHBondContact O-N 2.81Å
461A89.1Confident86.6Confident3 Ų355 Ų553%0.02528%0.28CS..Hα-helixtrans-65.5-22.3176.800000114.6T457 L458 Y459 S463 D464 P465 L468T457-A461 PolarHBondContact O-N 3.05Å; L458-A461 WeakPolarHBondContact O-CB 3.49Å; L458-A461 PolarHBondContact O-N 3.07Å; Y459-A461 VanDerWaalsContact C-N 3.28Å; Y459-A461 PolarHBondContact O-N 3.32Å; A461-S463 PolarHBondContact O-N 3.09Å; A461-D464 CarbonylContact O-C 3.57Å; A461-P465 WeakPolarHBondContact O-CA 3.44Å; A461-L468 HydrophobicContact CB-CD1 3.35Å; A461-L468 HydrophobicContact CB-CD2 3.9Å; A461-L468 HydrophobicContact CB-CG 3.43Å; A461-L468 VanDerWaalsContact CB-CG 3.43Å
462L88.3Confident84.3Confident42 Ų4254.8 Ų54.822%0.2228%0.28CS..Hα-helixtrans-68.3-26173.2-73.5172.6000112.7L420 R421 V424 L458 Y459 C460L420-L462 HydrophobicContact CB-CD2 3.56Å; L420-L462 HydrophobicContact CB-CG 4.39Å; L420-L462 HydrophobicContact CD1-CD2 4.39Å; R421-L462 HydrophobicContact CG-CD1 3.98Å; R421-L462 HydrophobicContact CG-CD2 3.55Å; R421-L462 HydrophobicContact CG-CG 4.44Å; V424-L462 HydrophobicContact CG2-CD1 4.08Å; L458-L462 WeakPolarHBondContact O-CG 3.4Å; L458-L462 PolarHBondContact O-N 2.91Å; Y459-L462 WeakPolarHBondContact O-CB 3.35Å; Y459-L462 PolarHBondContact O-N 2.93Å; Y459-L462 VanDerWaalsContact O-N 3.15Å; C460-L462 VanDerWaalsContact C-N 3.26Å; C460-L462 PolarHBondContact O-N 3.3Å
463S84.2Confident81.5Confident103 Ų10352.3 Ų52.372%0.7228%0.276SS*.Hα-helixtrans-81.9-36.4177.7-57.60000111.8C460 A461C460-S463 WeakPolarHBondContact O-CB 3.3Å; C460-S463 PolarHBondContact O-N 3.05Å; C460-S463 VanDerWaalsContact O-N 3.1Å; A461-S463 PolarHBondContact O-N 3.09Å
464D83.9Confident78.4Confident62 Ų6256.1 Ų56.133%0.33229%0.294SS..  trans-135.285173.5-173.64.1000110.7C460 A461 E466 Q467C460-D464 PolarHBondContact O-N 2.81Å; A461-D464 CarbonylContact O-C 3.57Å; D464-E466 PolarHBondContact O-N 2.96Å; D464-E466 WeakPolarHBondContact OD1-CB 3.49Å; D464-E466 PolarHBondContact OD1-N 2.56Å; D464-Q467 HydrophobicContact CB-CB 4.48Å; D464-Q467 WeakPolarHBondContact O-CB 3.38Å; D464-Q467 PolarHBondContact O-N 3.34Å
465P84.1Confident75.7Confident20 Ų2065.3 Ų65.313%0.1335%0.354CS..Hα-helixtrans-68.4-20.4-176.828.4-36.7000112.5L140 L417 A461 Q467 L468L140-P465 HydrophobicContact CD1-CB 4.2Å; L140-P465 HydrophobicContact CD1-CG 4.04Å; L140-P465 HydrophobicContact CD2-CB 4.27Å; L140-P465 HydrophobicContact CD2-CG 3.89Å; L417-P465 HydrophobicContact CD2-CB 3.75Å; L417-P465 HydrophobicContact CD2-CG 3.95Å; A461-P465 WeakPolarHBondContact O-CA 3.44Å; P465-Q467 PolarHBondContact O-N 3.42Å; P465-L468 PolarHBondContact O-N 3.45Å
466E82.6Confident74.8Confident31 Ų3167.9 Ų67.915%0.14537%0.365CS..Hα-helixtrans-70.2-25.9179.1-53.6-178.114900111L140 R143 D464 L468 L469 R470L140-E466 HydrophobicContact CD1-CG 4.26Å; R143-E466 WeakPolarHBondContact CD-OE1 3.48Å; R143-E466 IonicContact CZ-OE1 2.68Å; R143-E466 IonicContact CZ-OE2 2.97Å; R143-E466 IonicContact NE-OE1 3.68Å; R143-E466 PolarHBondContact NE-OE1 2.69Å; R143-E466 IonicContact NE-OE2 3.31Å; R143-E466 IonicContact NH1-OE1 3.03Å; R143-E466 PolarHBondContact NH1-OE1 2.73Å; R143-E466 IonicContact NH1-OE2 3.29Å; R143-E466 PolarHBondContact NH1-OE2 3.28Å; R143-E466 VanDerWaalsContact NH2-CD 3.3Å; R143-E466 IonicContact NH2-OE1 3.42Å; R143-E466 PolarHBondContact NH2-OE1 3.08Å; R143-E466 IonicContact NH2-OE2 3.03Å; R143-E466 PolarHBondContact NH2-OE2 3.31Å; D464-E466 PolarHBondContact O-N 2.96Å; D464-E466 WeakPolarHBondContact OD1-CB 3.49Å; D464-E466 PolarHBondContact OD1-N 2.56Å; E466-L468 VanDerWaalsContact C-N 3.3Å; E466-L468 PolarHBondContact O-N 3.31Å; E466-L469 PolarHBondContact O-N 2.85Å; E466-L469 VanDerWaalsContact O-N 3.09Å; E466-R470 WeakPolarHBondContact O-CB 3.44Å; E466-R470 WeakPolarHBondContact O-CG 3.46Å; E466-R470 PolarHBondContact O-N 3.16Å; E466-R470 IonicContact OE2-NH2 3.74Å
467Q83.5Confident73.8Confident101 Ų10163.4 Ų63.447%0.47235%0.352SS..Hα-helixtrans-59.9-40.3176-169.6178.72.300111.7D464 P465 L469 R470 T471D464-Q467 HydrophobicContact CB-CB 4.48Å; D464-Q467 WeakPolarHBondContact O-CB 3.38Å; D464-Q467 PolarHBondContact O-N 3.34Å; P465-Q467 PolarHBondContact O-N 3.42Å; Q467-L469 PolarHBondContact O-N 2.81Å; Q467-R470 PolarHBondContact O-N 3.07Å; Q467-R470 VanDerWaalsContact O-N 3.1Å; Q467-T471 HydrophobicContact CG-CG2 4.31Å; Q467-T471 PolarHBondContact O-N 3.47Å; Q467-T471 PolarHBondContact O-OG1 3.46Å; Q467-T471 VanDerWaalsContact O-OG1 3.06Å
468L83.1Confident72.8Confident8 Ų865.2 Ų65.24%0.04236%0.361CS..Hα-helixtrans-63.6-27.1176.8-73-178.6000113.3N382 L385 L420 A461 P465 E466N382-L468 PolarHBondContact ND2-O 3.11Å; L385-L468 HydrophobicContact CD1-CD2 3.77Å; L420-L468 HydrophobicContact CD1-CD1 4.04Å; L420-L468 HydrophobicContact CD2-CD1 4.07Å; A461-L468 HydrophobicContact CB-CD1 3.35Å; A461-L468 HydrophobicContact CB-CD2 3.9Å; A461-L468 HydrophobicContact CB-CG 3.43Å; A461-L468 VanDerWaalsContact CB-CG 3.43Å; P465-L468 PolarHBondContact O-N 3.45Å; E466-L468 VanDerWaalsContact C-N 3.3Å; E466-L468 PolarHBondContact O-N 3.31Å
469L84Confident71.6Confident18 Ų1868.9 Ų68.99%0.09438%0.382CS..Hα-helixtrans-85.9-24.4178.3-49.1-179.7000111.2L140 R143 L144 F147 E466 Q467L140-L469 HydrophobicContact CD1-CD1 4.11Å; R143-L469 HydrophobicContact CB-CD1 4.34Å; L144-L469 HydrophobicContact CD2-CD1 3.74Å; L144-L469 HydrophobicContact CD2-CD2 3.73Å; L144-L469 HydrophobicContact CD2-CG 4.38Å; L144-L469 HydrophobicContact CG-CD1 4.02Å; F147-L469 HydrophobicContact CD1-CD2 3.77Å; F147-L469 HydrophobicContact CD2-CB 4.28Å; F147-L469 HydrophobicContact CD2-CD2 4.49Å; F147-L469 HydrophobicContact CE1-CD2 4.02Å; F147-L469 HydrophobicContact CG-CB 4.36Å; F147-L469 HydrophobicContact CG-CD2 4.02Å; F147-L469 HydrophobicContact CZ-CD2 4.5Å; E466-L469 PolarHBondContact O-N 2.85Å; E466-L469 VanDerWaalsContact O-N 3.09Å; Q467-L469 PolarHBondContact O-N 2.81Å
470R71.7Confident70.3Confident138 Ų13868.1 Ų68.152%0.52139%0.386SS..Hα-helixtrans-92.2-29.2-176.5-76.9178.9178.8172.52115.1E466 Q467 A472 A473E466-R470 WeakPolarHBondContact O-CB 3.44Å; E466-R470 WeakPolarHBondContact O-CG 3.46Å; E466-R470 PolarHBondContact O-N 3.16Å; E466-R470 IonicContact OE2-NH2 3.74Å; Q467-R470 PolarHBondContact O-N 3.07Å; Q467-R470 VanDerWaalsContact O-N 3.1Å; R470-A472 PolarHBondContact O-N 3.45Å; R470-A473 PolarHBondContact O-N 3.49Å
471T56.1Low69.1Low62 Ų6269.7 Ų69.738%0.3839%0.392SS..THydrogen-bonded Turntrans-60.62.3176.638.70000113.8N382 Q467N382-T471 VanDerWaalsContact CG-OG1 3.23Å; N382-T471 PolarHBondContact ND2-OG1 3.43Å; N382-T471 VanDerWaalsContact ND2-OG1 3.14Å; N382-T471 VanDerWaalsContact OD1-CB 3.22Å; N382-T471 WeakPolarHBondContact OD1-CB 3.36Å; N382-T471 PolarHBondContact OD1-OG1 3.25Å; Q467-T471 HydrophobicContact CG-CG2 4.31Å; Q467-T471 PolarHBondContact O-N 3.47Å; Q467-T471 PolarHBondContact O-OG1 3.46Å; Q467-T471 VanDerWaalsContact O-OG1 3.06Å
472A45.3Very low67.6Low16 Ų1674.5 Ų74.513%0.13242%0.418CS..THydrogen-bonded Turntrans-87.25.9165.700000115.6F147 R151 L381 R470F147-A472 HydrophobicContact CE2-CB 4.49Å; R151-A472 PolarHBondContact NH2-O 3.02Å; L381-A472 HydrophobicContact CB-CB 4.29Å; L381-A472 HydrophobicContact CD1-CB 3.65Å; L381-A472 HydrophobicContact CD2-CB 4.42Å; L381-A472 HydrophobicContact CG-CB 4.32Å; R470-A472 PolarHBondContact O-N 3.45Å
473A33.3Very low66Low68 Ų6877 Ų7756%0.56243%0.433SS*.  trans-110.2124.4171.800000108R470R470-A473 PolarHBondContact O-N 3.49Å
474E29.5Very low64.5Low179 Ų17974.8 Ų74.884%0.83641%0.409SS*.  cis-143.2163.128.6-65.9175.5142.100109.5
475P37.2Very low62.8Low195 Ų19576 Ų76100%1.26642%0.416SS*.  trans-65.30158.630.1-33.8000112.8

Retrieved 475 of 475 residues in 315.1 ms (Link to these results)