B5X220_SALSA Loading...

TM2 domain-containing protein 2

AlphaFold DB , UniProt , Accession B5X220, Species SALSA (Salmo salar, Atlantic salmon), Gene TM2D2, Length 227 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
1M42.7Very low67.1Low233 Ų233137.3 Ų137.3100%1.14869%0.693SS**  093.50-152.4-176.6-70.300107.1R3M1-R3 PolarHBondContact O-N 3.3Å
2A46.9Very low67.9Low96 Ų96130.6 Ų130.679%0.79367%0.667SS**  trans-71115.1-174.800000109.5I4A2-I4 PolarHBondContact O-N 3.48Å
3R59.5Low69Low236 Ų236123.1 Ų123.189%0.89164%0.642SS**  trans-82.795.5172.6-67.1-158.1179.3-152.41.4108M1 S5M1-R3 PolarHBondContact O-N 3.3Å; R3-S5 PolarHBondContact O-N 2.88Å; R3-S5 VanDerWaalsContact O-N 3.17Å
4I65.3Low70.1Confident123 Ų123122.6 Ų122.663%0.63164%0.635SS**  trans-62.6116.6168.6-67.6161.8000106.6A2 I9A2-I4 PolarHBondContact O-N 3.48Å; I4-I9 HydrophobicContact CG2-CD1 3.98Å; I4-I9 HydrophobicContact CG2-CG1 3.88Å
5S71.4Confident71.2Confident67 Ų67120.6 Ų120.647%0.46963%0.63SS.*  trans-67.3134.4-178.3-179.20000109.8R3 N7 Y8 I9R3-S5 PolarHBondContact O-N 2.88Å; R3-S5 VanDerWaalsContact O-N 3.17Å; S5-N7 PolarHBondContact O-N 3.38Å; S5-N7 VanDerWaalsContact O-N 3.08Å; S5-Y8 WeakPolarHBondContact O-CB 3.45Å; S5-Y8 PolarHBondContact O-N 3.05Å; S5-I9 PolarHBondContact O-N 3.19Å
6L72.8Confident71.9Confident133 Ų133116.6 Ų116.670%0.69661%0.609SS**Hα-helixtrans-53.5-30.7176.4-119.7107.1000112.1Y8 I9 L10L6-Y8 VanDerWaalsContact C-N 3.32Å; L6-Y8 PolarHBondContact O-N 2.73Å; L6-I9 PolarHBondContact O-N 3.02Å; L6-L10 PolarHBondContact O-N 2.75Å
7N71.2Confident72.6Confident113 Ų113116.5 Ų116.560%0.60461%0.609SS**Hα-helixtrans-65.8-32.9176.1-69.8-24.6000112.6S5 I9 L10 M11S5-N7 PolarHBondContact O-N 3.38Å; S5-N7 VanDerWaalsContact O-N 3.08Å; N7-I9 VanDerWaalsContact C-N 3.35Å; N7-L10 PolarHBondContact O-N 3.45Å; N7-M11 WeakPolarHBondContact O-CB 3.09Å; N7-M11 WeakPolarHBondContact O-CG 3.48Å; N7-M11 PolarHBondContact O-N 3.04Å
8Y75.1Confident73.1Confident172 Ų172116.3 Ų116.368%0.67561%0.608SS**Hα-helixtrans-70-36.7176.7-168-100.6000111.3S5 L6 C12S5-Y8 WeakPolarHBondContact O-CB 3.45Å; S5-Y8 PolarHBondContact O-N 3.05Å; L6-Y8 VanDerWaalsContact C-N 3.32Å; L6-Y8 PolarHBondContact O-N 2.73Å; Y8-C12 WeakPolarHBondContact O-CB 3.47Å; Y8-C12 PolarHBondContact O-N 2.9Å
9I78.5Confident73.6Confident103 Ų103114.8 Ų114.853%0.52860%0.6SS.*Hα-helixtrans-67.8-43.9175.2-60.9171.2000110.3I4 S5 L6 N7 C12 G13I4-I9 HydrophobicContact CG2-CD1 3.98Å; I4-I9 HydrophobicContact CG2-CG1 3.88Å; S5-I9 PolarHBondContact O-N 3.19Å; L6-I9 PolarHBondContact O-N 3.02Å; N7-I9 VanDerWaalsContact C-N 3.35Å; I9-C12 PolarHBondContact O-N 2.83Å; I9-G13 PolarHBondContact O-N 2.96Å
10L75.7Confident74Confident104 Ų104112 Ų11255%0.54559%0.59SS.*Hα-helixtrans-62.2-46.8177.1-124.790.4000111.5L6 N7 C12 G13 Q14L6-L10 PolarHBondContact O-N 2.75Å; N7-L10 PolarHBondContact O-N 3.45Å; L10-C12 PolarHBondContact O-N 3.16Å; L10-G13 PolarHBondContact O-N 2.04Å; L10-Q14 PolarHBondContact O-N 3.27Å
11M78.8Confident74.4Confident130 Ų130110.2 Ų110.264%0.6458%0.584SS**Hα-helixtrans-66.7-38.6-179.8-67-67.6-92.800111.7N7 Q14 V15N7-M11 WeakPolarHBondContact O-CB 3.09Å; N7-M11 WeakPolarHBondContact O-CG 3.48Å; N7-M11 PolarHBondContact O-N 3.04Å; M11-Q14 PolarHBondContact O-N 2.94Å; M11-V15 VanDerWaalsContact O-CG2 3.29Å; M11-V15 WeakPolarHBondContact O-CG2 3.49Å; M11-V15 PolarHBondContact O-N 3.28Å
12C76.4Confident76.3Confident57 Ų57104 Ų10439%0.38556%0.555SS.*Hα-helixtrans-63.8-44.3174.4-173.50000111.5Y8 I9 L10 Q14 V15 L16Y8-C12 WeakPolarHBondContact O-CB 3.47Å; Y8-C12 PolarHBondContact O-N 2.9Å; I9-C12 PolarHBondContact O-N 2.83Å; L10-C12 PolarHBondContact O-N 3.16Å; C12-Q14 VanDerWaalsContact C-N 3.31Å; C12-Q14 PolarHBondContact O-N 2.99Å; C12-V15 PolarHBondContact O-N 3.29Å; C12-L16 WeakPolarHBondContact O-CB 3.34Å; C12-L16 WeakPolarHBondContact O-CD1 3.39Å; C12-L16 VanDerWaalsContact O-CG 3.27Å; C12-L16 WeakPolarHBondContact O-CG 3.49Å; C12-L16 PolarHBondContact O-N 2.9Å
13G82.5Confident77.7Confident33 Ų33104 Ų10434%0.3454%0.541SS..Hα-helixtrans-60.6-39.5175.600000113I9 L10 L16 L17I9-G13 PolarHBondContact O-N 2.96Å; L10-G13 PolarHBondContact O-N 2.04Å; G13-L16 PolarHBondContact O-N 3.45Å; G13-L17 PolarHBondContact O-N 3.49Å
14Q83.9Confident78.3Confident117 Ų11798.3 Ų98.355%0.54753%0.527SS..Hα-helixtrans-71-37.2-179.9-140139.1-33.700112.6L10 M11 C12 L18L10-Q14 PolarHBondContact O-N 3.27Å; M11-Q14 PolarHBondContact O-N 2.94Å; C12-Q14 VanDerWaalsContact C-N 3.31Å; C12-Q14 PolarHBondContact O-N 2.99Å; Q14-L18 PolarHBondContact O-N 2.84Å; Q14-L18 VanDerWaalsContact O-N 3.09Å
15V87.4Confident78.8Confident92 Ų9298.2 Ų98.256%0.55852%0.524SS*.Hα-helixtrans-67.3-41.1173.8171.10000111M11 C12 L18 L19M11-V15 VanDerWaalsContact O-CG2 3.29Å; M11-V15 WeakPolarHBondContact O-CG2 3.49Å; M11-V15 PolarHBondContact O-N 3.28Å; C12-V15 PolarHBondContact O-N 3.29Å; V15-L18 PolarHBondContact O-N 3.1Å; V15-L19 WeakPolarHBondContact O-CB 3.06Å; V15-L19 PolarHBondContact O-N 3.21Å
16L82Confident78.5Confident56 Ų5698.7 Ų98.729%0.29353%0.527SS..Hα-helixtrans-64.4-40.2177-73.9165.6000112.2C12 G13 L19 S20 L199C12-L16 WeakPolarHBondContact O-CB 3.34Å; C12-L16 WeakPolarHBondContact O-CD1 3.39Å; C12-L16 VanDerWaalsContact O-CG 3.27Å; C12-L16 WeakPolarHBondContact O-CG 3.49Å; C12-L16 PolarHBondContact O-N 2.9Å; G13-L16 PolarHBondContact O-N 3.45Å; L16-L19 PolarHBondContact O-N 2.87Å; L16-S20 WeakPolarHBondContact O-CB 3.07Å; L16-S20 PolarHBondContact O-N 2.8Å; L16-S20 PolarHBondContact O-OG 3.17Å; L16-L199 HydrophobicContact CD1-CD1 4.05Å; L16-L199 HydrophobicContact CD1-CD2 4.12Å; L16-L199 HydrophobicContact CD1-CG 4.21Å; L16-L199 HydrophobicContact CD2-CD1 4.32Å
17L84.1Confident77.9Confident116 Ų11698 Ų9861%0.60752%0.523SS*.Hα-helixtrans-62.2-46.8173.5-89.4169.3000111.6G13 L19 S20 V21G13-L17 PolarHBondContact O-N 3.49Å; L17-L19 VanDerWaalsContact C-N 3.35Å; L17-L19 PolarHBondContact O-N 3.33Å; L17-S20 PolarHBondContact O-N 3.42Å; L17-S20 PolarHBondContact O-OG 3.11Å; L17-V21 WeakPolarHBondContact O-CG2 3Å; L17-V21 PolarHBondContact O-N 2.89Å
18L82.4Confident77.1Confident112 Ų11299.9 Ų99.959%0.58653%0.528SS*.Hα-helixtrans-61.3-42.1177.5-84.8161.2000112.5Q14 V15 V21 L22Q14-L18 PolarHBondContact O-N 2.84Å; Q14-L18 VanDerWaalsContact O-N 3.09Å; V15-L18 PolarHBondContact O-N 3.1Å; L18-V21 PolarHBondContact O-N 2.63Å; L18-L22 PolarHBondContact O-N 3.24Å
19L82.4Confident76.1Confident88 Ų8894.2 Ų94.246%0.46152%0.523SS..Hα-helixtrans-66.4-38.6178.1-148.5106.8000111.6V15 L16 L17 L22 L23V15-L19 WeakPolarHBondContact O-CB 3.06Å; V15-L19 PolarHBondContact O-N 3.21Å; L16-L19 PolarHBondContact O-N 2.87Å; L17-L19 VanDerWaalsContact C-N 3.35Å; L17-L19 PolarHBondContact O-N 3.33Å; L19-L22 PolarHBondContact O-N 2.82Å; L19-L23 HydrophobicContact CD2-CD1 4.23Å; L19-L23 VanDerWaalsContact O-CG 3.31Å; L19-L23 WeakPolarHBondContact O-CG 3.48Å; L19-L23 PolarHBondContact O-N 2.77Å
20S80.1Confident74.7Confident59 Ų5995.2 Ų95.241%0.41353%0.528SS..Hα-helixtrans-65.7-38.2176.673.70000112.8L16 L17 L23 L24L16-S20 WeakPolarHBondContact O-CB 3.07Å; L16-S20 PolarHBondContact O-N 2.8Å; L16-S20 PolarHBondContact O-OG 3.17Å; L17-S20 PolarHBondContact O-N 3.42Å; L17-S20 PolarHBondContact O-OG 3.11Å; S20-L23 PolarHBondContact O-N 3.49Å; S20-L24 PolarHBondContact O-N 2.93Å
21V84.3Confident73.1Confident74 Ų74100.6 Ų100.645%0.44854%0.542SS..Hα-helixtrans-68.4-41.9176.4171.80000110.8L17 L18 L23 L24 Q25L17-V21 WeakPolarHBondContact O-CG2 3Å; L17-V21 PolarHBondContact O-N 2.89Å; L18-V21 PolarHBondContact O-N 2.63Å; V21-L23 PolarHBondContact O-N 2.85Å; V21-L24 PolarHBondContact O-N 3.41Å; V21-Q25 WeakPolarHBondContact O-CG 3.13Å; V21-Q25 PolarHBondContact O-N 3.32Å
22L82.1Confident71.2Confident103 Ų10399.2 Ų99.254%0.53955%0.546SS..Hα-helixtrans-60.2-43.5174.7-103.1150.9000112.2L18 L19 L24 Q25 C26L18-L22 PolarHBondContact O-N 3.24Å; L19-L22 PolarHBondContact O-N 2.82Å; L22-L24 VanDerWaalsContact C-N 3.34Å; L22-L24 PolarHBondContact O-N 2.85Å; L22-Q25 PolarHBondContact O-N 2.03Å; L22-C26 PolarHBondContact O-N 2.89Å; L22-C26 PolarHBondContact O-SG 2.92Å; L22-C26 VanDerWaalsContact O-SG 3.35Å
23L75.1Confident69.8Low97 Ų97105 Ų10551%0.50857%0.567SS.*Hα-helixtrans-67-34.3177.7-72.2170.1000112.6L19 S20 V21 C26 L27L19-L23 HydrophobicContact CD2-CD1 4.23Å; L19-L23 VanDerWaalsContact O-CG 3.31Å; L19-L23 WeakPolarHBondContact O-CG 3.48Å; L19-L23 PolarHBondContact O-N 2.77Å; S20-L23 PolarHBondContact O-N 3.49Å; V21-L23 PolarHBondContact O-N 2.85Å; L23-C26 PolarHBondContact O-N 3.31Å; L23-L27 PolarHBondContact O-N 3.42Å; L23-L27 VanDerWaalsContact O-N 3.08Å
24L73.3Confident67.5Low115 Ų115111.3 Ų111.360%0.60259%0.593SS**Hα-helixtrans-69.6-37.6176.8-160.266000111.8S20 V21 L22 C26 L27 E28S20-L24 PolarHBondContact O-N 2.93Å; V21-L24 PolarHBondContact O-N 3.41Å; L22-L24 VanDerWaalsContact C-N 3.34Å; L22-L24 PolarHBondContact O-N 2.85Å; L24-C26 VanDerWaalsContact C-N 3.32Å; L24-C26 PolarHBondContact O-N 2.81Å; L24-L27 PolarHBondContact O-N 3.35Å; L24-E28 PolarHBondContact O-N 3.37Å
25Q74.6Confident65.3Low122 Ų122110.5 Ų110.557%0.5760%0.6SS**Hα-helixtrans-65.6-34.7172.6-71178.7-23.400112.3V21 L22 L27V21-Q25 WeakPolarHBondContact O-CG 3.13Å; V21-Q25 PolarHBondContact O-N 3.32Å; L22-Q25 PolarHBondContact O-N 2.03Å; Q25-L27 VanDerWaalsContact C-N 3.34Å
26C65.4Low62.6Low76 Ų76111.6 Ų111.651%0.51461%0.612SS.*Hα-helixtrans-67.9-32.5172.3-690000112.5L22 L23 L24 G29 I30L22-C26 PolarHBondContact O-N 2.89Å; L22-C26 PolarHBondContact O-SG 2.92Å; L22-C26 VanDerWaalsContact O-SG 3.35Å; L23-C26 PolarHBondContact O-N 3.31Å; L24-C26 VanDerWaalsContact C-N 3.32Å; L24-C26 PolarHBondContact O-N 2.81Å; C26-G29 PolarHBondContact O-N 3.15Å; C26-I30 WeakPolarHBondContact O-CG1 3.19Å
27L60.5Low60.1Low118 Ų118116.5 Ų116.562%0.61864%0.639SS**Hα-helixtrans-70.6-38.2179.1-124.384.5000112.7L23 L24 Q25 G29 I30 Y31L23-L27 PolarHBondContact O-N 3.42Å; L23-L27 VanDerWaalsContact O-N 3.08Å; L24-L27 PolarHBondContact O-N 3.35Å; Q25-L27 VanDerWaalsContact C-N 3.34Å; L27-G29 PolarHBondContact O-N 2.97Å; L27-I30 PolarHBondContact O-N 3.47Å; L27-I30 VanDerWaalsContact O-N 3.15Å; L27-Y31 PolarHBondContact O-N 3.3Å
28E54.8Low57.5Low153 Ų153116.5 Ų116.572%0.71565%0.648SS**Hα-helixtrans-63.3-28.3174.8-73.6-172.9157.600112.3L24 I30L24-E28 PolarHBondContact O-N 3.37Å; E28-I30 VanDerWaalsContact C-N 3.3Å; E28-I30 PolarHBondContact O-N 2.84Å
29G53.8Low55.1Low54 Ų54117.5 Ų117.556%0.55766%0.661SS**THydrogen-bonded Turntrans-69.5-21.5174.600000114.9C26 L27C26-G29 PolarHBondContact O-N 3.15Å; L27-G29 PolarHBondContact O-N 2.97Å
30I49.8Very low52.4Low124 Ų124117 Ų11764%0.63668%0.677SS**THydrogen-bonded Turntrans-94.3-24.1-175.3-50.9164.2000111.4C26 L27 E28 S32C26-I30 WeakPolarHBondContact O-CG1 3.19Å; L27-I30 PolarHBondContact O-N 3.47Å; L27-I30 VanDerWaalsContact O-N 3.15Å; E28-I30 VanDerWaalsContact C-N 3.3Å; E28-I30 PolarHBondContact O-N 2.84Å; I30-S32 PolarHBondContact O-N 3.27Å; I30-S32 VanDerWaalsContact O-N 3.16Å
31Y40.6Very low49.9Very low216 Ų216123.9 Ų123.985%0.84770%0.703SS**G310 helixtrans-68.3-11.9-180-167.6-102000113.8L27 Q33L27-Y31 PolarHBondContact O-N 3.3Å; Y31-Q33 PolarHBondContact O-N 3.42Å
32S40.7Very low47.2Very low102 Ų102131.8 Ų131.871%0.71373%0.725SS**G310 helixtrans-85.92.4-177-1680000115.7I30I30-S32 PolarHBondContact O-N 3.27Å; I30-S32 VanDerWaalsContact O-N 3.16Å
33Q45.8Very low44.6Very low178 Ų178131 Ų13183%0.83273%0.733SS**G310 helixtrans-118.48.6-175.5-79.2-169.848.400116.9Y31Y31-Q33 PolarHBondContact O-N 3.42Å
34N34.9Very low42.3Very low165 Ų165133.3 Ų133.388%0.88275%0.752SS**  trans-118.346-176.6-133.413.4000114.9
35S36.3Very low40Very low101 Ų101134.3 Ų134.371%0.70676%0.762SS**  trans-127102.5165.459.50000109.8
36S31.7Very low37.7Very low115 Ų115133.3 Ų133.380%0.80478%0.775SS**  trans177.3105.6137.8-74.10000111.7
37D28.7Very low35.7Very low159 Ų159133.9 Ų133.985%0.8579%0.785SS**  trans47.3120136.7-67.1-25.1000123.3
38S31Very low34.1Very low115 Ų115138.2 Ų138.280%0.80480%0.8SS**  trans-88.3151.5141-70.20000109.6
39P30.3Very low32.6Very low133 Ų133135.6 Ų135.686%0.86480%0.798SS**  -152.3164.110536-18.2000115.6
40G26.8Very low31.2Very low78 Ų78137.2 Ų137.280%0.80481%0.806SS**  trans13791.7142.800000117.7
41Q27.6Very low30Very low203 Ų203136.1 Ų136.195%0.94981%0.809SS**  trans-64.1148.4160.1-66.2170-50.500111.6
42R27.4Very low29.2Very low241 Ų241134.7 Ų134.791%0.90981%0.811SS**  trans-148119.1148.2-162.9171.8-129151.42.6111.6
43A26.9Very low28.4Very low87 Ų87137.4 Ų137.472%0.71981%0.812SS**  trans-73.7147.4167.100000111.4
44T27.4Very low27.5Very low145 Ų145135 Ų13589%0.8981%0.812SS**  trans-139.8122.4153.9280000109.7
45T25.1Very low27.1Very low135 Ų135134.3 Ų134.383%0.82880%0.803SS**  trans-90.7163.3172.736.50000112.3
46A25.5Very low26.6Very low101 Ų101137.1 Ų137.184%0.83581%0.81SS**  trans80145.9155.700000116.8
47A24.8Very low26.5Very low88 Ų88137.7 Ų137.773%0.72780%0.804SS**  cis-175.3146.7-13.100000105.4
48F26Very low26.5Very low210 Ų210136.2 Ų136.292%0.92180%0.801SS**  trans-154.4145.4151.7-149.9-99.9000112
49S23.5Very low26.3Very low98 Ų98136 Ų13669%0.68580%0.795SS**  trans-109.6173.5-158.5-450000112.1
50A25.2Very low26.3Very low87 Ų87135 Ų13572%0.71979%0.786SS**  trans107105.1145.900000119
51S22.8Very low26.4Very low101 Ų101141.3 Ų141.371%0.70679%0.787SS**  24.9133.6128.254.30000121.1
52E25.6Very low26.9Very low187 Ų187140.3 Ų140.387%0.87478%0.782SS**  -174.1132.4104.4-136134.2105.100112.3
53Q23Very low27.3Very low159 Ų159135.5 Ų135.574%0.74377%0.773SS**  trans-82.5152.3160-98-179.9-84.100108.4
54P26.5Very low28.1Very low128 Ų128139 Ų13983%0.83178%0.778SS**  -148.816595.330-8000116.1
55Q27.1Very low28.6Very low150 Ų150137 Ų13770%0.70177%0.768SS**  trans-100.9137.2-173.5172.1172.8-12.400109.2
56D26.1Very low29.1Very low159 Ų159137 Ų13785%0.8577%0.767SS**  trans-141.1129.2161.1-85.1-37.9000111.2
57N28.4Very low30Very low128 Ų128140.3 Ų140.368%0.68477%0.765SS**  trans-86.9164.8174.944.416.1000109.6
58V30.1Very low30.7Very low128 Ų128147.3 Ų147.378%0.77677%0.773SS**  trans156.2115.2141.8161.60000112.8
59T26.6Very low31.4Very low110 Ų110141.5 Ų141.568%0.67575%0.754SS**  trans44.6120148.915.40000124.9
60T28.9Very low32.1Very low111 Ų111142.4 Ų142.468%0.68175%0.752SS**  17.4118.2123.3-520000119.1
61Y30.5Very low33Very low212 Ų212148.3 Ų148.383%0.83176%0.757SS**  trans-146.8125134.9-77.7-76.2000110.7
62H37.2Very low34Very low182 Ų182148.6 Ų148.684%0.84376%0.755SS**  trans-65.7125.4164.3-97.4-80000109.4
63I35.5Very low35Very low140 Ų140146.3 Ų146.372%0.71874%0.744SS**  trans-131.2114.8162.3-57.1177.7000106.1P65I63-P65 WeakPolarHBondContact O-CD 3.4Å
64I44.4Very low36.6Very low159 Ų159144.9 Ų144.982%0.81574%0.741SS**  trans-82.4124.5161.4-62.5172.6000106.2
65P37Very low38.3Very low105 Ų105145.9 Ų145.968%0.68273%0.729SS**  trans-115.8117.8157.123.7-4.8000110.5I63I63-P65 WeakPolarHBondContact O-CD 3.4Å
66V36.3Very low40.4Very low133 Ų133146.8 Ų146.881%0.80673%0.733SS**  trans8.3123.2140.2-178.50000116.2R68V66-R68 PolarHBondContact O-N 3.49Å
67E44.3Very low43Very low172 Ų172144.4 Ų144.480%0.80471%0.713SS**  trans-33.7123.8167-102.1170.2149.400114.3V69E67-V69 HydrophobicContact CG-CG2 4.41Å
68R38.7Very low45.6Very low234 Ų234146.5 Ų146.588%0.88371%0.711SS**  trans-119.597.6150-148.9-152.8-64.7-165.82.5106V66 N70V66-R68 PolarHBondContact O-N 3.49Å; R68-N70 VanDerWaalsContact C-N 3.32Å; R68-N70 PolarHBondContact O-N 2.86Å
69V41.6Very low48Very low88 Ų88145.2 Ų145.253%0.53371%0.706SS.*  trans-66.897.2173.5-177.30000107.2E67E67-V69 HydrophobicContact CG-CG2 4.41Å
70N38.6Very low50.8Low118 Ų118145.9 Ų145.963%0.63171%0.712SS**  trans-89.4124.7167.1-163.427000106.1R68 T72R68-N70 VanDerWaalsContact C-N 3.32Å; R68-N70 PolarHBondContact O-N 2.86Å; N70-T72 PolarHBondContact O-N 3.34Å
71Y44.6Very low53.4Low210 Ų210142.9 Ų142.982%0.82470%0.695SS**SBendtrans-71.660.2178.4-69.5-88.2000112
72T43.3Very low56.1Low108 Ų108138.9 Ų138.966%0.66370%0.695SS**  trans-125.272.4155.833.60000104.1N70 L74N70-T72 PolarHBondContact O-N 3.34Å; T72-L74 PolarHBondContact O-N 3.45Å
73E46.4Very low58.7Low138 Ų138132.1 Ų132.165%0.64567%0.667SS**  trans-67.193.1174-76.7-135.7148.100108.3Y75E73-Y75 PolarHBondContact O-N 3.34Å
74L56.7Low61.4Low130 Ų130129 Ų12968%0.68165%0.654SS**  trans-69.388.5160.7-163.6131.6000105.3T72 E76T72-L74 PolarHBondContact O-N 3.45Å; L74-E76 PolarHBondContact O-N 2.99Å
75Y62.3Low63.7Low148 Ų148123.4 Ų123.458%0.5863%0.626SS**  trans-45.2111.3-179.2-81.8-83.8000110E73 Y77 G144E73-Y75 PolarHBondContact O-N 3.34Å; Y75-Y77 PolarHBondContact O-N 3.34Å; Y75-G144 PolarHBondContact O-N 3.15Å
76E71.5Confident66.4Low169 Ų169118.5 Ų118.579%0.7959%0.594SS**  trans-71.5117.8179.1-172.9173.8-173.800108.7L74 R78L74-E76 PolarHBondContact O-N 2.99Å; E76-R78 PolarHBondContact O-N 2.74Å; E76-R78 VanDerWaalsContact O-N 3.16Å
77Y79.8Confident69Low110 Ų110114 Ų11443%0.43157%0.568SS.*  trans-63.4117.5-177.4178-103.8000110.9Y75 P79 V83 L85 A143Y75-Y77 PolarHBondContact O-N 3.34Å; Y77-P79 HydrophobicContact CD1-CG 4.45Å; Y77-P79 HydrophobicContact CE1-CB 4.46Å; Y77-P79 HydrophobicContact CE1-CG 4.07Å; Y77-V83 WeakPolarHBondContact CE2-O 3.26Å; Y77-L85 HydrophobicContact CD2-CD1 3.68Å; Y77-L85 HydrophobicContact CG-CD1 3.67Å; Y77-A143 HydrophobicContact CD2-CB 4.22Å
78R82.5Confident71.4Confident171 Ų171114 Ų11465%0.64556%0.562SS**  trans-105.6114.7172.2-74.6-170.3-175.8-1733.7109.6E76 P80 S81E76-R78 PolarHBondContact O-N 2.74Å; E76-R78 VanDerWaalsContact O-N 3.16Å; R78-P80 VanDerWaalsContact C-N 3.32Å; R78-P80 VanDerWaalsContact O-N 3.17Å; R78-S81 WeakPolarHBondContact O-CB 3.42Å; R78-S81 PolarHBondContact O-N 3.04Å
79P81.3Confident74Confident102 Ų102103.1 Ų103.166%0.66252%0.522SS*.THydrogen-bonded Turntrans-52.1-33.9178.8-25.432.6000116.8Y77 S81Y77-P79 HydrophobicContact CD1-CG 4.45Å; Y77-P79 HydrophobicContact CE1-CB 4.46Å; Y77-P79 HydrophobicContact CE1-CG 4.07Å; P79-S81 VanDerWaalsContact C-N 3.27Å; P79-S81 PolarHBondContact O-N 2.89Å
80P85.6Confident76.6Confident123 Ų123102 Ų10280%0.79952%0.516SS*.THydrogen-bonded Turntrans-80.8-4176.231.1-35.8000114R78R78-P80 VanDerWaalsContact C-N 3.32Å; R78-P80 VanDerWaalsContact O-N 3.17Å
81S83.8Confident79.2Confident48 Ų48103.8 Ų103.834%0.33652%0.52SS..SBendtrans-79.1148.6178.2-167.30000110.8R78 P79 V83R78-S81 WeakPolarHBondContact O-CB 3.42Å; R78-S81 PolarHBondContact O-N 3.04Å; P79-S81 VanDerWaalsContact C-N 3.27Å; P79-S81 PolarHBondContact O-N 2.89Å; S81-V83 PolarHBondContact O-N 3.49Å; S81-V83 WeakPolarHBondContact OG-CG2 3.35Å
82P87.4Confident81.6Confident128 Ų128100.6 Ų100.683%0.83151%0.513SS*.SBendtrans-68.7-13.517428.3-36.7000114.1
83V90.5Very high84.1Confident40 Ų4099.8 Ų99.824%0.24250%0.5CS..PPolyproline II helixtrans-78.7128.8-178-570000111.6Y77 S81 A143Y77-V83 WeakPolarHBondContact CE2-O 3.26Å; S81-V83 PolarHBondContact O-N 3.49Å; S81-V83 WeakPolarHBondContact OG-CG2 3.35Å; V83-A143 HydrophobicContact CG2-CB 4.04Å
84V92.3Very high86.4Confident75 Ų7593.9 Ų93.946%0.45547%0.473SS..PPolyproline II helixtrans-89.9161175.4-63.80000111L89 C142 A143V84-L89 HydrophobicContact CG2-CD1 3.54Å; V84-C142 CarbonylContact O-C 3.55Å; V84-C142 WeakPolarHBondContact O-CA 2.98Å; V84-C142 WeakPolarHBondContact O-CB 3.26Å; V84-A143 PolarHBondContact O-N 2.92Å
85L92.6Very high88.3Confident42 Ų4293.7 Ų93.722%0.2247%0.469CS..BIsolated β-bridgetrans-68.8136.5176.5-143.770.5000110.5Y77 S87 Y88 L89 A143Y77-L85 HydrophobicContact CD2-CD1 3.68Å; Y77-L85 HydrophobicContact CG-CD1 3.67Å; L85-S87 WeakPolarHBondContact CD2-OG 3.29Å; L85-S87 PolarHBondContact O-N 3.45Å; L85-Y88 HydrophobicContact CB-CD2 3.54Å; L85-Y88 HydrophobicContact CB-CE2 4.22Å; L85-Y88 HydrophobicContact CB-CG 4.29Å; L85-Y88 HydrophobicContact CD2-CD2 3.88Å; L85-Y88 HydrophobicContact CD2-CE2 3.71Å; L85-Y88 HydrophobicContact CG-CD2 4.36Å; L85-Y88 PolarHBondContact O-N 2.81Å; L85-L89 PolarHBondContact O-N 3.03Å; L85-A143 CarbonylContact C-O 3.46Å; L85-A143 WeakPolarHBondContact CA-O 3.29Å; L85-A143 HydrophobicContact CD1-CB 4.41Å
86C93.6Very high89.9Confident1 Ų188.5 Ų88.51%0.00745%0.453CS..G310 helixtrans-56.9-39.1178.9-62.10000111.6Y88 L89 C142 A143 P145 F148C86-Y88 PolarHBondContact O-N 2.94Å; C86-Y88 VanDerWaalsContact O-N 3.11Å; C86-L89 WeakPolarHBondContact O-CB 3.07Å; C86-L89 PolarHBondContact O-N 3.29Å; C86-L89 VanDerWaalsContact O-N 3.17Å; C86-C142 WeakPolarHBondContact CA-SG 2.94Å; C86-C142 HydrophobicContact CB-CB 3.9Å; C86-C142 WeakPolarHBondContact CB-SG 3.42Å; C86-C142 WeakPolarHBondContact SG-CB 2.99Å; C86-C142 CovalentContact SG-SG 2.04Å; C86-C142 PolarHBondContact SG-SG 3.36Å; C86-A143 PolarHBondContact N-O 2.82Å; C86-A143 PolarHBondContact SG-O 2.85Å; C86-P145 VanDerWaalsContact CB-O 3.29Å; C86-P145 WeakPolarHBondContact CB-O 3.24Å; C86-F148 HydrophobicContact CB-CD1 4.21Å; C86-F148 HydrophobicContact CB-CE1 4.04Å; C86-F148 WeakPolarHBondContact O-CE1 3.34Å; C86-F148 WeakPolarHBondContact O-CZ 3.14Å
87S92.8Very high91Very high39 Ų3985.3 Ų85.327%0.27344%0.439SS..G310 helixtrans-69.7-3.9176.470.10000114.5L85 R150L85-S87 WeakPolarHBondContact CD2-OG 3.29Å; L85-S87 PolarHBondContact O-N 3.45Å; S87-R150 PolarHBondContact O-NH1 2.96Å; S87-R150 PolarHBondContact O-NH2 2.86Å
88Y93.1Very high91.7Very high172 Ų17287.1 Ų87.168%0.67546%0.456SS*.G310 helixtrans-113.24.7174.9-66.5-46.6000112.8L85 C86L85-Y88 HydrophobicContact CB-CD2 3.54Å; L85-Y88 HydrophobicContact CB-CE2 4.22Å; L85-Y88 HydrophobicContact CB-CG 4.29Å; L85-Y88 HydrophobicContact CD2-CD2 3.88Å; L85-Y88 HydrophobicContact CD2-CE2 3.71Å; L85-Y88 HydrophobicContact CG-CD2 4.36Å; L85-Y88 PolarHBondContact O-N 2.81Å; C86-Y88 PolarHBondContact O-N 2.94Å; C86-Y88 VanDerWaalsContact O-N 3.11Å
89L94.7Very high92.3Very high6 Ų680.4 Ų80.43%0.03143%0.434CS..  trans-57.9138.3171.9-112.260000110.2V84 L85 C86 F93 I94 A136 I140 C142 R150V84-L89 HydrophobicContact CG2-CD1 3.54Å; L85-L89 PolarHBondContact O-N 3.03Å; C86-L89 WeakPolarHBondContact O-CB 3.07Å; C86-L89 PolarHBondContact O-N 3.29Å; C86-L89 VanDerWaalsContact O-N 3.17Å; L89-F93 HydrophobicContact CB-CB 4.41Å; L89-F93 HydrophobicContact CD2-CB 3.67Å; L89-F93 WeakPolarHBondContact CD2-O 3.33Å; L89-F93 HydrophobicContact CG-CB 3.85Å; L89-I94 HydrophobicContact CB-CG2 3.57Å; L89-I94 HydrophobicContact CD2-CG2 3.91Å; L89-I94 HydrophobicContact CG-CG2 4.38Å; L89-A136 HydrophobicContact CD2-CB 3.95Å; L89-I140 HydrophobicContact CD1-CG2 4.29Å; L89-I140 HydrophobicContact CD2-CB 4.34Å; L89-I140 HydrophobicContact CD2-CG2 3.8Å; L89-I140 HydrophobicContact CG-CG2 4.35Å; L89-C142 HydrophobicContact CD1-CB 3.84Å; L89-R150 PolarHBondContact O-NH1 3.01Å
90P94.8Very high92.8Very high64 Ų6478 Ų7842%0.41642%0.418SS..  trans-57.6160.1167.8-24.231.5000113.3E92 F93P90-E92 WeakPolarHBondContact CB-OE2 3.06Å; P90-E92 PolarHBondContact O-N 3.42Å; P90-F93 HydrophobicContact CB-CD2 3.86Å; P90-F93 HydrophobicContact CB-CE2 4.28Å; P90-F93 HydrophobicContact CG-CD2 3.84Å; P90-F93 HydrophobicContact CG-CE2 4.08Å; P90-F93 PolarHBondContact O-N 3.07Å; P90-F93 VanDerWaalsContact O-N 3.1Å
91E93.8Very high93.1Very high155 Ų15576.3 Ų76.372%0.72440%0.402SS*.G310 helixtrans-59.6-28.8-178.5-71.3174.1-16400112.7F93E91-F93 PolarHBondContact O-N 3.26Å
92E94.8Very high93.5Very high144 Ų14474.9 Ų74.967%0.67339%0.39SS*.G310 helixtrans-71.3-15.9179.9-52.887.916800113.5P90P90-E92 WeakPolarHBondContact CB-OE2 3.06Å; P90-E92 PolarHBondContact O-N 3.42Å
93F95.8Very high93.6Very high90 Ų9072.2 Ų72.240%0.39538%0.378SS..G310 helixtrans-110.87.5-175.9-59.2-64.1000113.3L89 P90 E91 L137 I140L89-F93 HydrophobicContact CB-CB 4.41Å; L89-F93 HydrophobicContact CD2-CB 3.67Å; L89-F93 WeakPolarHBondContact CD2-O 3.33Å; L89-F93 HydrophobicContact CG-CB 3.85Å; P90-F93 HydrophobicContact CB-CD2 3.86Å; P90-F93 HydrophobicContact CB-CE2 4.28Å; P90-F93 HydrophobicContact CG-CD2 3.84Å; P90-F93 HydrophobicContact CG-CE2 4.08Å; P90-F93 PolarHBondContact O-N 3.07Å; P90-F93 VanDerWaalsContact O-N 3.1Å; E91-F93 PolarHBondContact O-N 3.26Å; F93-L137 PolarHBondContact O-N 2.89Å; F93-I140 HydrophobicContact CB-CG1 4.26Å; F93-I140 HydrophobicContact CD1-CD1 3.68Å; F93-I140 HydrophobicContact CD1-CG1 3.98Å; F93-I140 HydrophobicContact CE1-CD1 4.13Å; F93-I140 HydrophobicContact CG-CD1 4.46Å; F93-I140 HydrophobicContact CG-CG1 4.45Å
94I95.7Very high93.5Very high15 Ų1576.2 Ų76.28%0.07739%0.394CS..EExtended strand (participates in β ladder)trans-129.6152.3-178.565178.4000110.2L89 C134 T135 F148L89-I94 HydrophobicContact CB-CG2 3.57Å; L89-I94 HydrophobicContact CD2-CG2 3.91Å; L89-I94 HydrophobicContact CG-CG2 4.38Å; I94-C134 HydrophobicContact CD1-CB 4.23Å; I94-T135 CarbonylContact C-O 3.55Å; I94-T135 VanDerWaalsContact CA-O 3.26Å; I94-T135 WeakPolarHBondContact CA-O 3.3Å; I94-F148 HydrophobicContact CG2-CZ 3.87Å
95H96.1Very high93.5Very high126 Ų12676.6 Ų76.658%0.58339%0.394SS*.EExtended strand (participates in β ladder)trans-114.6112.4172-17560.5000109C134 T135 L137H95-C134 CarbonylContact O-C 3.59Å; H95-C134 WeakPolarHBondContact O-CA 3.43Å; H95-T135 PolarHBondContact N-O 2.64Å; H95-T135 PolarHBondContact O-N 2.69Å; H95-T135 PolarHBondContact O-OG1 2.02Å; H95-L137 HydrophobicContact CB-CD1 4.27Å
96C95.7Very high93.3Very high38 Ų3878 Ų7826%0.25741%0.407SS..EExtended strand (participates in β ladder)trans-98.9138.7179.4-61.40000110.9V132 C134C96-V132 HydrophobicContact CB-CG2 3.87Å; C96-C134 HydrophobicContact CB-CB 4.07Å; C96-C134 WeakPolarHBondContact CB-SG 3.35Å; C96-C134 WeakPolarHBondContact SG-CB 3.08Å; C96-C134 CovalentContact SG-SG 2.03Å; C96-C134 PolarHBondContact SG-SG 2.79Å
97Q95Very high93.2Very high103 Ų10381.5 Ų81.548%0.48143%0.429SS..PPolyproline II helixtrans-75.3150.3172.2-63.9178.611.600110.3V132 I133Q97-V132 WeakPolarHBondContact O-CB 3.23Å; Q97-I133 PolarHBondContact N-O 2.64Å
98D93.9Very high93Very high148 Ų14880.7 Ų80.779%0.79142%0.424SS*.PPolyproline II helixtrans-61.4147.7172.9-65.8-67.8000111.5V100D98-V100 PolarHBondContact O-N 2.86Å
99P94.4Very high92.8Very high29 Ų2974.6 Ų74.619%0.18840%0.403CS..PPolyproline II helixtrans-57.4132.2175.5-23.532.1000112.9C116 F119 T130 V132 E153P99-C116 WeakPolarHBondContact CB-SG 3.24Å; P99-F119 HydrophobicContact CB-CZ 4.1Å; P99-T130 HydrophobicContact CB-CG2 3.85Å; P99-T130 HydrophobicContact CG-CG2 4.31Å; P99-V132 HydrophobicContact CB-CG1 4.22Å; P99-V132 HydrophobicContact CG-CG1 3.81Å; P99-E153 HydrophobicContact CG-CB 4.21Å
100V93.1Very high92.6Very high53 Ų5381.5 Ų81.532%0.32144%0.439SS..PPolyproline II helixtrans-71.3135176.8-1790000110.6D98 M112 G115 C116D98-V100 PolarHBondContact O-N 2.86Å; V100-M112 HydrophobicContact CG1-CE 4.03Å; V100-M112 HydrophobicContact CG2-CE 4.49Å; V100-G115 CarbonylContact O-C 3.2Å; V100-G115 WeakPolarHBondContact O-CA 3.36Å; V100-C116 PolarHBondContact O-N 3.02Å
101D92Very high92.4Very high87 Ų8785.9 Ų85.947%0.46545%0.454SS..BIsolated β-bridgetrans-88.7113.8173.6-165.4-3.8000112.3A103 F119D101-A103 VanDerWaalsContact C-N 3.35Å; D101-A103 PolarHBondContact OD1-N 3.18Å; D101-F119 HydrophobicContact CB-CD2 3.96Å; D101-F119 HydrophobicContact CB-CE2 3.41Å; D101-F119 VanDerWaalsContact CB-CE2 3.41Å; D101-F119 HydrophobicContact CB-CZ 4.27Å; D101-F119 VanDerWaalsContact CG-CD2 3.47Å; D101-F119 VanDerWaalsContact CG-CE2 3.49Å
102H91.6Very high92.2Very high18 Ų1882.9 Ų82.98%0.08344%0.441CS..  trans-91.73.8176.8-66.9-74.2000113.1Q104 N105 A108 I109 H114 C116H102-Q104 PolarHBondContact O-N 3.01Å; H102-Q104 VanDerWaalsContact O-N 3.12Å; H102-N105 WeakPolarHBondContact O-CB 3.38Å; H102-N105 PolarHBondContact O-N 2.91Å; H102-A108 HydrophobicContact CB-CB 4.38Å; H102-A108 VanDerWaalsContact ND1-CB 3.27Å; H102-A108 WeakPolarHBondContact ND1-CB 3.46Å; H102-I109 HydrophobicContact CB-CD1 4.25Å; H102-I109 HydrophobicContact CB-CG1 3.81Å; H102-I109 WeakPolarHBondContact CD2-CG1 3.1Å; H102-H114 PolarHBondContact NE2-O 3.42Å; H102-C116 PolarHBondContact N-O 2.84Å
103A89.3Confident91.9Very high71 Ų7178.4 Ų78.459%0.58743%0.433SS*.THydrogen-bonded Turntrans47.245.7175.400000113.3D101 N105D101-A103 VanDerWaalsContact C-N 3.35Å; D101-A103 PolarHBondContact OD1-N 3.18Å; A103-N105 VanDerWaalsContact C-N 3.29Å; A103-N105 PolarHBondContact O-N 2.82Å
104Q87.8Confident91.7Very high124 Ų12475.4 Ų75.458%0.57942%0.421SS*.THydrogen-bonded Turntrans61.530.9-178.6-53.4135.2-40.100114.2H102 W117H102-Q104 PolarHBondContact O-N 3.01Å; H102-Q104 VanDerWaalsContact O-N 3.12Å; Q104-W117 VanDerWaalsContact CA-O 3.27Å; Q104-W117 WeakPolarHBondContact CA-O 3.33Å; Q104-W117 HydrophobicContact CB-CD2 4.4Å; Q104-W117 HydrophobicContact CB-CH2 4.27Å; Q104-W117 HydrophobicContact CB-CZ2 3.94Å; Q104-W117 WeakPolarHBondContact CG-O 3.48Å; Q104-W117 PolarHBondContact N-O 2.81Å; Q104-W117 WeakPolarHBondContact O-CH2 3.43Å; Q104-W117 WeakPolarHBondContact O-CZ3 3.31Å
105N92.3Very high91.6Very high84 Ų8474.9 Ų74.945%0.44942%0.419SS..  trans-101120172.5-168.1-9.6000111.5H102 A103 A108 W117H102-N105 WeakPolarHBondContact O-CB 3.38Å; H102-N105 PolarHBondContact O-N 2.91Å; A103-N105 VanDerWaalsContact C-N 3.29Å; A103-N105 PolarHBondContact O-N 2.82Å; N105-A108 HydrophobicContact CB-CB 4.31Å; N105-W117 VanDerWaalsContact C-CZ3 3.49Å
106S88.6Confident91.4Very high71 Ų7169 Ų6950%0.49739%0.392SS..Hα-helixtrans-89.3-32.7-163.9370000110.1A108 I109 L110S106-A108 VanDerWaalsContact C-N 3.3Å; S106-A108 PolarHBondContact O-N 3.27Å; S106-I109 PolarHBondContact O-N 3.27Å; S106-L110 WeakPolarHBondContact O-CB 3.09Å; S106-L110 PolarHBondContact O-N 3.19Å
107T92.1Very high91.2Very high75 Ų7572.2 Ų72.246%0.4640%0.399SS..Hα-helixtrans-60.3-43.4174.6-47.90000110.2I109 L110 E111T107-I109 VanDerWaalsContact C-N 3.35Å; T107-I109 PolarHBondContact O-N 2.84Å; T107-L110 PolarHBondContact O-N 3.5Å; T107-E111 HydrophobicContact CG2-CG 4.48Å; T107-E111 WeakPolarHBondContact O-CB 3.38Å; T107-E111 WeakPolarHBondContact O-CG 3.44Å; T107-E111 PolarHBondContact O-N 3.33Å
108A89Confident90.9Very high21 Ų2173 Ų7317%0.17440%0.401CS..Hα-helixtrans-63.9-37.9-18000000112.8H102 N105 S106 M112H102-A108 HydrophobicContact CB-CB 4.38Å; H102-A108 VanDerWaalsContact ND1-CB 3.27Å; H102-A108 WeakPolarHBondContact ND1-CB 3.46Å; N105-A108 HydrophobicContact CB-CB 4.31Å; S106-A108 VanDerWaalsContact C-N 3.3Å; S106-A108 PolarHBondContact O-N 3.27Å; A108-M112 WeakPolarHBondContact O-CB 3.36Å; A108-M112 VanDerWaalsContact O-CG 3.32Å; A108-M112 WeakPolarHBondContact O-CG 3.5Å; A108-M112 PolarHBondContact O-N 3.24Å
109I88.8Confident90.8Very high44 Ų4467.8 Ų67.823%0.22637%0.371CS..Hα-helixtrans-68.9-41175-61.4170.5000111.1H102 S106 T107 E111 G113 W117H102-I109 HydrophobicContact CB-CD1 4.25Å; H102-I109 HydrophobicContact CB-CG1 3.81Å; H102-I109 WeakPolarHBondContact CD2-CG1 3.1Å; S106-I109 PolarHBondContact O-N 3.27Å; T107-I109 VanDerWaalsContact C-N 3.35Å; T107-I109 PolarHBondContact O-N 2.84Å; I109-E111 VanDerWaalsContact C-N 3.32Å; I109-G113 WeakPolarHBondContact O-CA 3.32Å; I109-G113 PolarHBondContact O-N 3.4Å; I109-W117 VanDerWaalsContact CD1-CA 3.42Å; I109-W117 HydrophobicContact CD1-CB 3.44Å; I109-W117 VanDerWaalsContact CD1-CB 3.44Å; I109-W117 HydrophobicContact CD1-CD2 4.29Å; I109-W117 HydrophobicContact CD1-CE3 3.72Å; I109-W117 HydrophobicContact CD1-CG 4.26Å
110L89.5Confident90.5Very high151 Ų15166.9 Ų66.979%0.79137%0.366SS*.Hα-helixtrans-64.9-38.7178.9-175.367.4000111.6S106 T107S106-L110 WeakPolarHBondContact O-CB 3.09Å; S106-L110 PolarHBondContact O-N 3.19Å; T107-L110 PolarHBondContact O-N 3.5Å
111E91.9Very high90.3Very high157 Ų15765.7 Ų65.773%0.73437%0.365SS*.Hα-helixtrans-72.1-42.3178.5-72.7176176.900112.4T107 I109T107-E111 HydrophobicContact CG2-CG 4.48Å; T107-E111 WeakPolarHBondContact O-CB 3.38Å; T107-E111 WeakPolarHBondContact O-CG 3.44Å; T107-E111 PolarHBondContact O-N 3.33Å; I109-E111 VanDerWaalsContact C-N 3.32Å
112M88.1Confident89.8Confident91 Ų9167.2 Ų67.245%0.44837%0.369SS..Hα-helixtrans-86.9-24.2-176.1-64.3-120-78.100113.5V100 A108 H114V100-M112 HydrophobicContact CG1-CE 4.03Å; V100-M112 HydrophobicContact CG2-CE 4.49Å; A108-M112 WeakPolarHBondContact O-CB 3.36Å; A108-M112 VanDerWaalsContact O-CG 3.32Å; A108-M112 WeakPolarHBondContact O-CG 3.5Å; A108-M112 PolarHBondContact O-N 3.24Å; M112-H114 PolarHBondContact O-N 3.02Å; M112-H114 VanDerWaalsContact O-N 3.15Å; M112-H114 PolarHBondContact O-ND1 3.05Å
113G89.1Confident89.6Confident50 Ų5069.9 Ų69.952%0.51539%0.387SS..SBendtrans68.54.1-177.500000115.1I109I109-G113 WeakPolarHBondContact O-CA 3.32Å; I109-G113 PolarHBondContact O-N 3.4Å
114H91.9Very high89.5Confident28 Ų2873.4 Ų73.413%0.1339%0.391CS..  trans-151.7163.3-178.671.8-79.6000111.3H102 M112 P131 L149H102-H114 PolarHBondContact NE2-O 3.42Å; M112-H114 PolarHBondContact O-N 3.02Å; M112-H114 VanDerWaalsContact O-N 3.15Å; M112-H114 PolarHBondContact O-ND1 3.05Å; H114-P131 HydrophobicContact CB-CG 3.98Å; H114-P131 WeakPolarHBondContact CB-O 3.21Å; H114-L149 HydrophobicContact CB-CD2 4.18Å
115G92.6Very high89.6Confident4 Ų475.5 Ų75.54%0.04140%0.398CS..SBendtrans98.4173.5-175.200000114.5V100 T130V100-G115 CarbonylContact O-C 3.2Å; V100-G115 WeakPolarHBondContact O-CA 3.36Å; G115-T130 WeakPolarHBondContact CA-OG1 3.42Å; G115-T130 PolarHBondContact N-OG1 3.15Å; G115-T130 VanDerWaalsContact O-CB 3.24Å; G115-T130 WeakPolarHBondContact O-CB 3.44Å; G115-T130 PolarHBondContact O-OG1 3.33Å
116C92.6Very high89.5Confident1 Ų176 Ų761%0.00740%0.401CS..BIsolated β-bridgetrans-103.1129.8-167.6-70.20000112.1P99 V100 H102 F119 T130 C155P99-C116 WeakPolarHBondContact CB-SG 3.24Å; V100-C116 PolarHBondContact O-N 3.02Å; H102-C116 PolarHBondContact N-O 2.84Å; C116-F119 HydrophobicContact CB-CD2 3.88Å; C116-F119 HydrophobicContact CB-CE1 4.45Å; C116-F119 HydrophobicContact CB-CE2 3.34Å; C116-F119 HydrophobicContact CB-CZ 3.69Å; C116-T130 VanDerWaalsContact SG-CG2 3.5Å; C116-C155 HydrophobicContact CB-CB 3.69Å; C116-C155 WeakPolarHBondContact CB-SG 3.32Å; C116-C155 WeakPolarHBondContact SG-CA 3.37Å; C116-C155 WeakPolarHBondContact SG-CB 3.21Å; C116-C155 CovalentContact SG-SG 2.02Å; C116-C155 PolarHBondContact SG-SG 2.87Å
117W90.9Very high89.7Confident106 Ų10673.3 Ų73.340%0.40238%0.381SS..SBendtrans-68.2-42.6169.8170.6-97.4000112.5Q104 N105 I109Q104-W117 VanDerWaalsContact CA-O 3.27Å; Q104-W117 WeakPolarHBondContact CA-O 3.33Å; Q104-W117 HydrophobicContact CB-CD2 4.4Å; Q104-W117 HydrophobicContact CB-CH2 4.27Å; Q104-W117 HydrophobicContact CB-CZ2 3.94Å; Q104-W117 WeakPolarHBondContact CG-O 3.48Å; Q104-W117 PolarHBondContact N-O 2.81Å; Q104-W117 WeakPolarHBondContact O-CH2 3.43Å; Q104-W117 WeakPolarHBondContact O-CZ3 3.31Å; N105-W117 VanDerWaalsContact C-CZ3 3.49Å; I109-W117 VanDerWaalsContact CD1-CA 3.42Å; I109-W117 HydrophobicContact CD1-CB 3.44Å; I109-W117 VanDerWaalsContact CD1-CB 3.44Å; I109-W117 HydrophobicContact CD1-CD2 4.29Å; I109-W117 HydrophobicContact CD1-CE3 3.72Å; I109-W117 HydrophobicContact CD1-CG 4.26Å
118K90.1Very high89.7Confident121 Ų12173.2 Ų73.253%0.52638%0.378SS..SBendtrans-146129.8-177.4177.3-175.1175-169.80108.2
119F91.9Very high89.8Confident38 Ų3875.6 Ų75.617%0.16739%0.385CS..  trans-86.3151.2168.8-80.2-95000112P99 D101 C116 C155 K157P99-F119 HydrophobicContact CB-CZ 4.1Å; D101-F119 HydrophobicContact CB-CD2 3.96Å; D101-F119 HydrophobicContact CB-CE2 3.41Å; D101-F119 VanDerWaalsContact CB-CE2 3.41Å; D101-F119 HydrophobicContact CB-CZ 4.27Å; D101-F119 VanDerWaalsContact CG-CD2 3.47Å; D101-F119 VanDerWaalsContact CG-CE2 3.49Å; C116-F119 HydrophobicContact CB-CD2 3.88Å; C116-F119 HydrophobicContact CB-CE1 4.45Å; C116-F119 HydrophobicContact CB-CE2 3.34Å; C116-F119 HydrophobicContact CB-CZ 3.69Å; F119-C155 WeakPolarHBondContact CA-O 3.27Å; F119-C155 HydrophobicContact CD1-CB 4.47Å; F119-K157 HydrophobicContact CD1-CB 3.93Å; F119-K157 HydrophobicContact CG-CB 4.5Å
120G88.4Confident90.1Very high9 Ų974 Ų749%0.09338%0.377CS..  trans107.6-174.1173.600000113.2C155G120-C155 PolarHBondContact N-O 3.36Å
121G87.3Confident90.3Very high28 Ų2868.8 Ų68.829%0.28935%0.353SS..  trans108.6140.2-169.200000111N222G121-N222 PolarHBondContact O-ND2 3.33Å; G121-N222 VanDerWaalsContact O-ND2 3.16Å; G121-N222 PolarHBondContact O-OD1 3.5Å
122Q81.4Confident90.5Very high119 Ų11961.5 Ų61.556%0.55632%0.319SS*.SBendtrans-102.9-32.1178.2-68.6-178.5-26.700111.8M216Q122-M216 HydrophobicContact CG-CE 4.07Å; Q122-M216 HydrophobicContact CG-SD 4.35Å; Q122-M216 PolarHBondContact NE2-SD 3.41Å
123V87.6Confident90.9Very high75 Ų7559.2 Ų59.246%0.45531%0.308SS..SBendtrans-99.1136.6-179.3-167.20000108.5K125 D126 V127V123-K125 HydrophobicContact CB-CG 4.2Å; V123-K125 HydrophobicContact CG1-CD 4.19Å; V123-K125 HydrophobicContact CG1-CG 3.8Å; V123-K125 PolarHBondContact O-N 3.31Å; V123-D126 PolarHBondContact O-N 2.95Å; V123-V127 PolarHBondContact O-N 2.84Å
124H88.1Confident91.2Very high145 Ų14556.9 Ų56.967%0.67128%0.284SS*.G310 helixtrans-50.6-35.5-177.9-175.470.7000114.1D126 V127 H129H124-D126 VanDerWaalsContact C-N 3.3Å; H124-D126 PolarHBondContact O-N 3.3Å; H124-V127 PolarHBondContact O-N 3.16Å; H124-H129 AromaticContact CE1-CE1 3.5Å; H124-H129 PolarHBondContact CE1-CE1 3.4Å; H124-H129 VanDerWaalsContact CE1-CE1 3.5Å; H124-H129 AromaticContact CE1-NE2 3.34Å; H124-H129 PolarHBondContact CE1-NE2 3.21Å; H124-H129 VanDerWaalsContact CE1-NE2 3.34Å; H124-H129 AromaticContact ND1-CE1 3.8Å; H124-H129 AromaticContact ND1-NE2 3.76Å
125K90.1Very high91.4Very high167 Ų16757.2 Ų57.273%0.72629%0.288SS*.G310 helixtrans-67.9-25.3178.469.8178.8-175.4162.10114.5V123V123-K125 HydrophobicContact CB-CG 4.2Å; V123-K125 HydrophobicContact CG1-CD 4.19Å; V123-K125 HydrophobicContact CG1-CG 3.8Å; V123-K125 PolarHBondContact O-N 3.31Å
126D89.3Confident91.6Very high96 Ų9657.2 Ų57.251%0.51329%0.288SS..G310 helixtrans-97.5-8.1-175.7-57.6-41.9000111.1V123 H124V123-D126 PolarHBondContact O-N 2.95Å; H124-D126 VanDerWaalsContact C-N 3.3Å; H124-D126 PolarHBondContact O-N 3.3Å
127V92.2Very high91.8Very high14 Ų1460.9 Ų60.99%0.08531%0.306CS..SBendtrans-89.5122.7178.4175.70000109V123 H124 H129 P154 I156V123-V127 PolarHBondContact O-N 2.84Å; H124-V127 PolarHBondContact O-N 3.16Å; V127-H129 PolarHBondContact O-CE1 2.98Å; V127-H129 PolarHBondContact O-ND1 3.27Å; V127-P154 HydrophobicContact CG1-CB 3.82Å; V127-I156 HydrophobicContact CG1-CG2 3.86Å; V127-I156 HydrophobicContact CG2-CG2 4.23Å
128N92.3Very high91.9Very high72 Ų7262.9 Ų62.939%0.38533%0.325SS..  trans-68.6147171.8-76.4-30.6000110C155N128-C155 HydrophobicContact CB-CB 4.08Å; N128-C155 WeakPolarHBondContact O-CB 3.29Å; N128-C155 PolarHBondContact O-N 3.01Å; N128-C155 PolarHBondContact O-SG 3.29Å
129H92.8Very high92Very high72 Ų7264.7 Ų64.733%0.33334%0.341SS..EExtended strand (participates in β ladder)trans-120145174.3-64.574.4000109.4H124 V127 N152 E153H124-H129 AromaticContact CE1-CE1 3.5Å; H124-H129 PolarHBondContact CE1-CE1 3.4Å; H124-H129 VanDerWaalsContact CE1-CE1 3.5Å; H124-H129 AromaticContact CE1-NE2 3.34Å; H124-H129 PolarHBondContact CE1-NE2 3.21Å; H124-H129 VanDerWaalsContact CE1-NE2 3.34Å; H124-H129 AromaticContact ND1-CE1 3.8Å; H124-H129 AromaticContact ND1-NE2 3.76Å; V127-H129 PolarHBondContact O-CE1 2.98Å; V127-H129 PolarHBondContact O-ND1 3.27Å; H129-N152 PolarHBondContact CD2-O 3.01Å; H129-E153 CarbonylContact C-O 3.57Å; H129-E153 WeakPolarHBondContact CA-O 3.36Å
130T94.1Very high92Very high10 Ų1065.1 Ų65.16%0.06134%0.344CS..EExtended strand (participates in β ladder)trans-140.8151.3-177.1-165.50000110.8P99 G115 C116 V132 E153P99-T130 HydrophobicContact CB-CG2 3.85Å; P99-T130 HydrophobicContact CG-CG2 4.31Å; G115-T130 WeakPolarHBondContact CA-OG1 3.42Å; G115-T130 PolarHBondContact N-OG1 3.15Å; G115-T130 VanDerWaalsContact O-CB 3.24Å; G115-T130 WeakPolarHBondContact O-CB 3.44Å; G115-T130 PolarHBondContact O-OG1 3.33Å; C116-T130 VanDerWaalsContact SG-CG2 3.5Å; T130-V132 HydrophobicContact CG2-CG1 4.48Å; T130-E153 PolarHBondContact N-O 3.19Å; T130-E153 PolarHBondContact O-N 3.12Å
131P94.4Very high92.1Very high41 Ų4172.6 Ų72.627%0.26638%0.377SS..EExtended strand (participates in β ladder)trans-68.6150.9165.328.8-33.9000111.1H114 L149 R150H114-P131 HydrophobicContact CB-CG 3.98Å; H114-P131 WeakPolarHBondContact CB-O 3.21Å; P131-L149 HydrophobicContact CB-CB 4.43Å; P131-R150 CarbonylContact C-O 3.56Å; P131-R150 WeakPolarHBondContact CA-O 3.4Å
132V95.4Very high92.3Very high4 Ų471.8 Ų71.82%0.02437%0.367CS..EExtended strand (participates in β ladder)trans-126.1160.7171.5-60.80000110.3C96 Q97 P99 T130 L149 R150 E153C96-V132 HydrophobicContact CB-CG2 3.87Å; Q97-V132 WeakPolarHBondContact O-CB 3.23Å; P99-V132 HydrophobicContact CB-CG1 4.22Å; P99-V132 HydrophobicContact CG-CG1 3.81Å; T130-V132 HydrophobicContact CG2-CG1 4.48Å; V132-L149 CarbonylContact O-C 3.57Å; V132-L149 WeakPolarHBondContact O-CA 3.28Å; V132-R150 PolarHBondContact N-O 3.14Å; V132-R150 PolarHBondContact O-N 3.21Å; V132-E153 HydrophobicContact CB-CG 4.17Å; V132-E153 HydrophobicContact CG1-CB 3.85Å; V132-E153 HydrophobicContact CG1-CG 3.66Å; V132-E153 HydrophobicContact CG2-CG 3.45Å; V132-E153 VanDerWaalsContact CG2-CG 3.45Å
133I95.5Very high92.8Very high44 Ų4466.2 Ų66.223%0.22634%0.34CS..EExtended strand (participates in β ladder)trans-82123.3175.2-60.3167.5000107.9Q97 L149Q97-I133 PolarHBondContact N-O 2.64Å; I133-L149 HydrophobicContact CG1-CD2 3.7Å
134C96.1Very high93Very high0 Ų063.2 Ų63.20%033%0.325CS..EExtended strand (participates in β ladder)trans-119.2146.3175.6-56.10000110.8I94 H95 C96 E147 F148 R150I94-C134 HydrophobicContact CD1-CB 4.23Å; H95-C134 CarbonylContact O-C 3.59Å; H95-C134 WeakPolarHBondContact O-CA 3.43Å; C96-C134 HydrophobicContact CB-CB 4.07Å; C96-C134 WeakPolarHBondContact CB-SG 3.35Å; C96-C134 WeakPolarHBondContact SG-CB 3.08Å; C96-C134 CovalentContact SG-SG 2.03Å; C96-C134 PolarHBondContact SG-SG 2.79Å; C134-E147 WeakPolarHBondContact O-CA 3.44Å; C134-F148 HydrophobicContact CB-CD2 4.43Å; C134-F148 HydrophobicContact CB-CE2 3.98Å; C134-F148 HydrophobicContact CB-CZ 4.22Å; C134-F148 PolarHBondContact N-O 3.06Å; C134-F148 PolarHBondContact O-N 3.31Å; C134-R150 HydrophobicContact CB-CB 4.32Å; C134-R150 WeakPolarHBondContact SG-CB 3.42Å
135T96.4Very high93.2Very high36 Ų3660 Ų6022%0.22132%0.317CS..EExtended strand (participates in β ladder)trans-120.4137.8178.364.40000110.2I94 H95 R146 E147I94-T135 CarbonylContact C-O 3.55Å; I94-T135 VanDerWaalsContact CA-O 3.26Å; I94-T135 WeakPolarHBondContact CA-O 3.3Å; H95-T135 PolarHBondContact N-O 2.64Å; H95-T135 PolarHBondContact O-N 2.69Å; H95-T135 PolarHBondContact O-OG1 2.02Å; T135-R146 CarbonylContact C-O 3.56Å; T135-R146 VanDerWaalsContact CA-O 3.29Å; T135-R146 WeakPolarHBondContact CA-O 3.26Å; T135-E147 HydrophobicContact CG2-CB 4.33Å; T135-E147 HydrophobicContact CG2-CG 3.76Å
136A96.4Very high93.4Very high4 Ų456.3 Ų56.33%0.03330%0.298CS..EExtended strand (participates in β ladder)trans-69.6140.4173.400000110.8L89 R146L89-A136 HydrophobicContact CD2-CB 3.95Å; A136-R146 PolarHBondContact N-O 2.94Å; A136-R146 PolarHBondContact O-NH2 3.49Å
137L96.2Very high93.6Very high77 Ų7758.1 Ų58.140%0.40330%0.304SS..  trans-60.3141.9175-97.767.7000111.4F93 H95 D139 I140 R146F93-L137 PolarHBondContact O-N 2.89Å; H95-L137 HydrophobicContact CB-CD1 4.27Å; L137-D139 VanDerWaalsContact C-N 3.25Å; L137-D139 PolarHBondContact O-N 3.32Å; L137-I140 HydrophobicContact CB-CG1 4.23Å; L137-I140 PolarHBondContact O-N 3.32Å; L137-R146 PolarHBondContact O-NH2 3.39Å
138D93.1Very high93.7Very high148 Ų14858.4 Ų58.479%0.79130%0.304SS*.THydrogen-bonded Turntrans-57.8-34.2-171.7-65.7-39.5000113.7I140D138-I140 VanDerWaalsContact C-N 3.29Å; D138-I140 PolarHBondContact O-N 2.94Å
139D92.7Very high93.8Very high160 Ų16059.8 Ų59.886%0.85631%0.311SS*.THydrogen-bonded Turntrans-83.63.9-178.8-64.3-39000114.3L137L137-D139 VanDerWaalsContact C-N 3.25Å; L137-D139 PolarHBondContact O-N 3.32Å
140I91.8Very high93.9Very high47 Ų4759.3 Ų59.324%0.24131%0.306CS..  trans-108.7122.9178.2-52.9-66.3000110.7L89 F93 L137 D138 R146L89-I140 HydrophobicContact CD1-CG2 4.29Å; L89-I140 HydrophobicContact CD2-CB 4.34Å; L89-I140 HydrophobicContact CD2-CG2 3.8Å; L89-I140 HydrophobicContact CG-CG2 4.35Å; F93-I140 HydrophobicContact CB-CG1 4.26Å; F93-I140 HydrophobicContact CD1-CD1 3.68Å; F93-I140 HydrophobicContact CD1-CG1 3.98Å; F93-I140 HydrophobicContact CE1-CD1 4.13Å; F93-I140 HydrophobicContact CG-CD1 4.46Å; F93-I140 HydrophobicContact CG-CG1 4.45Å; L137-I140 HydrophobicContact CB-CG1 4.23Å; L137-I140 PolarHBondContact O-N 3.32Å; D138-I140 VanDerWaalsContact C-N 3.29Å; D138-I140 PolarHBondContact O-N 2.94Å; I140-R146 PolarHBondContact O-NH1 3.16Å
141E90.6Very high93.6Very high166 Ų16661 Ų6178%0.77633%0.326SS*.  trans-83.6118.5173.6-65-175.9175.600110.5
142C91.9Very high93.3Very high11 Ų1165.6 Ų65.67%0.07435%0.348CS..  trans-141.1155.8178.364.30000110.9V84 C86 L89V84-C142 CarbonylContact O-C 3.55Å; V84-C142 WeakPolarHBondContact O-CA 2.98Å; V84-C142 WeakPolarHBondContact O-CB 3.26Å; C86-C142 WeakPolarHBondContact CA-SG 2.94Å; C86-C142 HydrophobicContact CB-CB 3.9Å; C86-C142 WeakPolarHBondContact CB-SG 3.42Å; C86-C142 WeakPolarHBondContact SG-CB 2.99Å; C86-C142 CovalentContact SG-SG 2.04Å; C86-C142 PolarHBondContact SG-SG 3.36Å; L89-C142 HydrophobicContact CD1-CB 3.84Å
143A92.1Very high93.2Very high1 Ų168.2 Ų68.21%0.00836%0.36CS..BIsolated β-bridgetrans-92.9140.3179.700000112.2Y77 V83 V84 L85 C86Y77-A143 HydrophobicContact CD2-CB 4.22Å; V83-A143 HydrophobicContact CG2-CB 4.04Å; V84-A143 PolarHBondContact O-N 2.92Å; L85-A143 CarbonylContact C-O 3.46Å; L85-A143 WeakPolarHBondContact CA-O 3.29Å; L85-A143 HydrophobicContact CD1-CB 4.41Å; C86-A143 PolarHBondContact N-O 2.82Å; C86-A143 PolarHBondContact SG-O 2.85Å
144G90.6Very high93.1Very high12 Ų1268.1 Ų68.112%0.12436%0.362CS..SBendtrans98.1-166.3179.800000114.2Y75 R146Y75-G144 PolarHBondContact O-N 3.15Å; G144-R146 PolarHBondContact O-N 3.14Å
145P93.9Very high93Very high79 Ų7968.1 Ų68.151%0.51336%0.362SS..  trans-67.6131.9178.529.1-34.1000110.6C86 E147C86-P145 VanDerWaalsContact CB-O 3.29Å; C86-P145 WeakPolarHBondContact CB-O 3.24Å; P145-E147 VanDerWaalsContact C-N 3.28Å; P145-E147 PolarHBondContact O-N 3.25Å
146R92.8Very high92.8Very high88 Ų8868.4 Ų68.433%0.33236%0.362SS..SBendtrans-72.5-24.1179.2-65.1-175.464.379.32.1112.8T135 A136 L137 I140 G144T135-R146 CarbonylContact C-O 3.56Å; T135-R146 VanDerWaalsContact CA-O 3.29Å; T135-R146 WeakPolarHBondContact CA-O 3.26Å; A136-R146 PolarHBondContact N-O 2.94Å; A136-R146 PolarHBondContact O-NH2 3.49Å; L137-R146 PolarHBondContact O-NH2 3.39Å; I140-R146 PolarHBondContact O-NH1 3.16Å; G144-R146 PolarHBondContact O-N 3.14Å
147E94.7Very high92.6Very high134 Ų13472.6 Ų72.663%0.62638%0.379SS*.EExtended strand (participates in β ladder)trans-102.9128.6171.5-49.7-166.5152.500109.5C134 T135 P145C134-E147 WeakPolarHBondContact O-CA 3.44Å; T135-E147 HydrophobicContact CG2-CB 4.33Å; T135-E147 HydrophobicContact CG2-CG 3.76Å; P145-E147 VanDerWaalsContact C-N 3.28Å; P145-E147 PolarHBondContact O-N 3.25Å
148F94.5Very high92.3Very high20 Ų2074.5 Ų74.59%0.08838%0.382CS..EExtended strand (participates in β ladder)trans-151.7159.2-177.653.9-90.7000111.1C86 I94 C134 R150C86-F148 HydrophobicContact CB-CD1 4.21Å; C86-F148 HydrophobicContact CB-CE1 4.04Å; C86-F148 WeakPolarHBondContact O-CE1 3.34Å; C86-F148 WeakPolarHBondContact O-CZ 3.14Å; I94-F148 HydrophobicContact CG2-CZ 3.87Å; C134-F148 HydrophobicContact CB-CD2 4.43Å; C134-F148 HydrophobicContact CB-CE2 3.98Å; C134-F148 HydrophobicContact CB-CZ 4.22Å; C134-F148 PolarHBondContact N-O 3.06Å; C134-F148 PolarHBondContact O-N 3.31Å; F148-R150 HydrophobicContact CE2-CB 4.45Å
149L94.1Very high92.2Very high102 Ų10270 Ų7053%0.53436%0.36SS..EExtended strand (participates in β ladder)trans-82.9124.8173.8-69172.3000110H114 P131 V132 I133H114-L149 HydrophobicContact CB-CD2 4.18Å; P131-L149 HydrophobicContact CB-CB 4.43Å; V132-L149 CarbonylContact O-C 3.57Å; V132-L149 WeakPolarHBondContact O-CA 3.28Å; I133-L149 HydrophobicContact CG1-CD2 3.7Å
150R93.9Very high92.1Very high62 Ų6264.2 Ų64.223%0.23434%0.338CS..EExtended strand (participates in β ladder)trans-110.5132.1172.9-175.1114.5-91175.8-11.7108.4S87 L89 P131 V132 C134 F148S87-R150 PolarHBondContact O-NH1 2.96Å; S87-R150 PolarHBondContact O-NH2 2.86Å; L89-R150 PolarHBondContact O-NH1 3.01Å; P131-R150 CarbonylContact C-O 3.56Å; P131-R150 WeakPolarHBondContact CA-O 3.4Å; V132-R150 PolarHBondContact N-O 3.14Å; V132-R150 PolarHBondContact O-N 3.21Å; C134-R150 HydrophobicContact CB-CB 4.32Å; C134-R150 WeakPolarHBondContact SG-CB 3.42Å; F148-R150 HydrophobicContact CE2-CB 4.45Å
151G88.6Confident92Very high46 Ų4664 Ų6447%0.47434%0.336SS..EExtended strand (participates in β ladder)trans-88.8167.5-174.500000114.5
152N87.5Confident92.1Very high136 Ų13659.1 Ų59.173%0.72731%0.311SS*.EExtended strand (participates in β ladder)trans73.928.2170-62.6-22.1000117H129H129-N152 PolarHBondContact CD2-O 3.01Å
153E93.5Very high92.2Very high59 Ų5961.4 Ų61.428%0.27632%0.32SS..EExtended strand (participates in β ladder)trans-77.3131.3170-64.8-61.4171.100111.2P99 H129 T130 V132P99-E153 HydrophobicContact CG-CB 4.21Å; H129-E153 CarbonylContact C-O 3.57Å; H129-E153 WeakPolarHBondContact CA-O 3.36Å; T130-E153 PolarHBondContact N-O 3.19Å; T130-E153 PolarHBondContact O-N 3.12Å; V132-E153 HydrophobicContact CB-CG 4.17Å; V132-E153 HydrophobicContact CG1-CB 3.85Å; V132-E153 HydrophobicContact CG1-CG 3.66Å; V132-E153 HydrophobicContact CG2-CG 3.45Å; V132-E153 VanDerWaalsContact CG2-CG 3.45Å
154P93.8Very high92.2Very high42 Ų4265.7 Ų65.727%0.27334%0.342SS..EExtended strand (participates in β ladder)trans-74135.3179.629.6-33.4000111.4V127 I156V127-P154 HydrophobicContact CG1-CB 3.82Å; P154-I156 HydrophobicContact CB-CD1 4.21Å; P154-I156 HydrophobicContact CB-CG1 4.25Å; P154-I156 HydrophobicContact CB-CG2 4.38Å; P154-I156 HydrophobicContact CG-CD1 3.92Å; P154-I156 HydrophobicContact CG-CG1 4.14Å; P154-I156 PolarHBondContact O-N 3.36Å
155C93.1Very high92.2Very high0 Ų067.2 Ų67.20%035%0.348CS..  trans-76.964.8175.6-66.10000111.9C116 F119 G120 N128C116-C155 HydrophobicContact CB-CB 3.69Å; C116-C155 WeakPolarHBondContact CB-SG 3.32Å; C116-C155 WeakPolarHBondContact SG-CA 3.37Å; C116-C155 WeakPolarHBondContact SG-CB 3.21Å; C116-C155 CovalentContact SG-SG 2.02Å; C116-C155 PolarHBondContact SG-SG 2.87Å; F119-C155 WeakPolarHBondContact CA-O 3.27Å; F119-C155 HydrophobicContact CD1-CB 4.47Å; G120-C155 PolarHBondContact N-O 3.36Å; N128-C155 HydrophobicContact CB-CB 4.08Å; N128-C155 WeakPolarHBondContact O-CB 3.29Å; N128-C155 PolarHBondContact O-N 3.01Å; N128-C155 PolarHBondContact O-SG 3.29Å
156I92.8Very high92.2Very high43 Ų4363.7 Ų63.722%0.22133%0.325CS..  trans-116.5141178.960.1-175.2000110.2V127 P154 Y158 N222V127-I156 HydrophobicContact CG1-CG2 3.86Å; V127-I156 HydrophobicContact CG2-CG2 4.23Å; P154-I156 HydrophobicContact CB-CD1 4.21Å; P154-I156 HydrophobicContact CB-CG1 4.25Å; P154-I156 HydrophobicContact CB-CG2 4.38Å; P154-I156 HydrophobicContact CG-CD1 3.92Å; P154-I156 HydrophobicContact CG-CG1 4.14Å; P154-I156 PolarHBondContact O-N 3.36Å; I156-Y158 HydrophobicContact CD1-CE2 3.67Å; I156-Y158 WeakPolarHBondContact CD1-OH 3.47Å; I156-Y158 HydrophobicContact CG1-CE2 3.83Å; I156-N222 WeakPolarHBondContact CG2-ND2 3.32Å
157K91.5Very high92.2Very high91 Ų9161.7 Ų61.740%0.39632%0.321SS..  trans-114.3134.7179.6-173.6179.6-177.11780109.2F119 T159 S221 N222F119-K157 HydrophobicContact CD1-CB 3.93Å; F119-K157 HydrophobicContact CG-CB 4.5Å; K157-T159 HydrophobicContact CD-CG2 4.14Å; K157-T159 HydrophobicContact CG-CG2 4.05Å; K157-S221 CarbonylContact O-C 3.49Å; K157-S221 VanDerWaalsContact O-CA 3.31Å; K157-S221 WeakPolarHBondContact O-CA 3.47Å; K157-S221 VanDerWaalsContact O-CB 3.29Å; K157-S221 WeakPolarHBondContact O-CB 3.49Å; K157-N222 PolarHBondContact O-N 3.15Å
158Y91.1Very high92Very high118 Ų11859.3 Ų59.346%0.46331%0.313SS..EExtended strand (participates in β ladder)trans-116.7126173.9-64.3-74.3000109I156 N222 W223I156-Y158 HydrophobicContact CD1-CE2 3.67Å; I156-Y158 WeakPolarHBondContact CD1-OH 3.47Å; I156-Y158 HydrophobicContact CG1-CE2 3.83Å; Y158-N222 HydrophobicContact CD1-CB 4.18Å; Y158-N222 HydrophobicContact CE1-CB 3.85Å; Y158-W223 WeakPolarHBondContact CE1-O 3.39Å
159T90.2Very high91.9Very high53 Ų5362.7 Ų62.733%0.32533%0.325SS..EExtended strand (participates in β ladder)trans-119.524.2-177.951.60000113.3K157 H161 D219 S221K157-T159 HydrophobicContact CD-CG2 4.14Å; K157-T159 HydrophobicContact CG-CG2 4.05Å; T159-H161 VanDerWaalsContact C-N 3.29Å; T159-H161 PolarHBondContact O-N 3.39Å; T159-H161 PolarHBondContact OG1-CD2 3.34Å; T159-D219 VanDerWaalsContact CB-OD2 3.26Å; T159-D219 WeakPolarHBondContact CB-OD2 3.49Å; T159-D219 WeakPolarHBondContact CG2-OD2 3.27Å; T159-D219 PolarHBondContact OG1-OD2 3.08Å; T159-S221 VanDerWaalsContact OG1-CB 3.26Å; T159-S221 WeakPolarHBondContact OG1-CB 3.45Å; T159-S221 PolarHBondContact OG1-OG 3.17Å
160G90.4Very high91.8Very high39 Ų3957.9 Ų57.940%0.40230%0.3SS..EExtended strand (participates in β ladder)trans77.614.5177.700000113.7Y162 C224G160-Y162 VanDerWaalsContact O-CD2 3.24Å; G160-Y162 WeakPolarHBondContact O-CD2 3.18Å; G160-Y162 VanDerWaalsContact O-CE2 3.23Å; G160-Y162 WeakPolarHBondContact O-CE2 3.49Å; G160-C224 VanDerWaalsContact CA-SG 3.54Å; G160-C224 PolarHBondContact N-SG 3.16Å; G160-C224 VanDerWaalsContact N-SG 3.41Å
161H91Very high91.6Very high41 Ų4160.1 Ų60.119%0.1931%0.312CS..EExtended strand (participates in β ladder)trans-82.7116.2172.5-66-56.4000110.5T159 C182 P217 W223 C224T159-H161 VanDerWaalsContact C-N 3.29Å; T159-H161 PolarHBondContact O-N 3.39Å; T159-H161 PolarHBondContact OG1-CD2 3.34Å; H161-C182 PolarHBondContact CE1-O 3.09Å; H161-C182 PolarHBondContact ND1-O 3.1Å; H161-P217 HydrophobicContact CB-CG 3.88Å; H161-W223 HydrophobicContact CB-CE3 4.29Å; H161-W223 HydrophobicContact CB-CZ3 4.3Å; H161-C224 PolarHBondContact O-N 3.5Å
162Y92.6Very high91.6Very high65 Ų6564.7 Ų64.726%0.25532%0.319SS..EExtended strand (participates in β ladder)trans-99.6131.4177.7-58.1-77000111G160 I164 T166 C224 F226 Y227G160-Y162 VanDerWaalsContact O-CD2 3.24Å; G160-Y162 WeakPolarHBondContact O-CD2 3.18Å; G160-Y162 VanDerWaalsContact O-CE2 3.23Å; G160-Y162 WeakPolarHBondContact O-CE2 3.49Å; Y162-I164 PolarHBondContact O-N 3.28Å; Y162-T166 WeakPolarHBondContact O-CB 3.37Å; Y162-T166 PolarHBondContact O-N 3.36Å; Y162-T166 PolarHBondContact O-OG1 3.49Å; Y162-C224 HydrophobicContact CD1-CB 3.54Å; Y162-C224 HydrophobicContact CE1-CB 3.31Å; Y162-C224 HydrophobicContact CG-CB 4.42Å; Y162-F226 WeakPolarHBondContact CE1-O 3.39Å; Y162-Y227 AromaticContact CD1-CD1 3.88Å; Y162-Y227 HydrophobicContact CD1-CD1 3.88Å; Y162-Y227 AromaticContact CD1-CE1 3.75Å; Y162-Y227 HydrophobicContact CD1-CE1 3.75Å; Y162-Y227 HydrophobicContact CD1-CG 4.45Å; Y162-Y227 HydrophobicContact CE1-CD1 4.38Å; Y162-Y227 HydrophobicContact CG-CD1 4.05Å; Y162-Y227 AromaticContact CG-CE1 3.71Å; Y162-Y227 HydrophobicContact CG-CE1 3.71Å
163F92.9Very high91.6Very high58 Ų5861.4 Ų61.425%0.25430%0.301SS..Hα-helixtrans-60.3-47.8179.6178-104000111.9T166 L167 L210 W223F163-T166 PolarHBondContact O-N 2.93Å; F163-L167 HydrophobicContact CE1-CD1 3.88Å; F163-L167 HydrophobicContact CZ-CD1 4.05Å; F163-L167 VanDerWaalsContact O-CB 3.32Å; F163-L167 WeakPolarHBondContact O-CB 3.21Å; F163-L167 PolarHBondContact O-N 2.98Å; F163-L210 HydrophobicContact CD2-CD2 4.16Å; F163-L210 HydrophobicContact CE2-CD2 3.5Å; F163-L210 VanDerWaalsContact CE2-CD2 3.5Å; F163-L210 HydrophobicContact CE2-CG 4.35Å; F163-L210 HydrophobicContact CZ-CD2 3.88Å; F163-W223 HydrophobicContact CB-CB 4.28Å; F163-W223 HydrophobicContact CB-CD2 3.88Å; F163-W223 HydrophobicContact CB-CE3 3.96Å; F163-W223 HydrophobicContact CB-CG 4.04Å; F163-W223 HydrophobicContact CD2-CD2 4.15Å; F163-W223 AromaticContact CD2-CE2 3.83Å; F163-W223 HydrophobicContact CD2-CH2 4.43Å; F163-W223 AromaticContact CD2-CZ2 3.98Å; F163-W223 HydrophobicContact CD2-CZ2 3.98Å
164I92.4Very high91.2Very high92 Ų9258.6 Ų58.647%0.47229%0.288SS..Hα-helixtrans-69-41.3-176.6-53.8-64.8000111.3Y162 T166 L167 L168 Y227Y162-I164 PolarHBondContact O-N 3.28Å; I164-T166 VanDerWaalsContact C-N 3.3Å; I164-T166 PolarHBondContact O-N 3.36Å; I164-L167 WeakPolarHBondContact O-CB 3.38Å; I164-L167 PolarHBondContact O-N 3.04Å; I164-L168 WeakPolarHBondContact O-CB 3.21Å; I164-L168 PolarHBondContact O-N 3.39Å; I164-Y227 WeakPolarHBondContact CB-OH 3.39Å; I164-Y227 WeakPolarHBondContact CG1-OH 3.43Å; I164-Y227 PolarHBondContact N-OH 3.5Å
165T91.9Very high90.7Very high43 Ų4359.6 Ų59.626%0.26430%0.295SS..Hα-helixtrans-59.9-44176.2-54.20000111L168 Y169T165-L168 WeakPolarHBondContact O-CB 3.11Å; T165-L168 PolarHBondContact O-N 3.46Å; T165-Y169 HydrophobicContact CG2-CD2 4.16Å; T165-Y169 HydrophobicContact CG2-CE1 4.4Å; T165-Y169 HydrophobicContact CG2-CE2 3.55Å; T165-Y169 WeakPolarHBondContact O-CD2 3.47Å; T165-Y169 PolarHBondContact O-N 3.42Å
166T92.9Very high90.4Very high5 Ų565.8 Ų65.83%0.03132%0.322CS..Hα-helixtrans-67.5-40.1178.4-48.70000111.5Y162 F163 I164 L168 Y169 S170 L183 L210 W223Y162-T166 WeakPolarHBondContact O-CB 3.37Å; Y162-T166 PolarHBondContact O-N 3.36Å; Y162-T166 PolarHBondContact O-OG1 3.49Å; F163-T166 PolarHBondContact O-N 2.93Å; I164-T166 VanDerWaalsContact C-N 3.3Å; I164-T166 PolarHBondContact O-N 3.36Å; T166-L168 VanDerWaalsContact C-N 3.32Å; T166-L168 PolarHBondContact O-N 3.29Å; T166-Y169 PolarHBondContact O-N 2.89Å; T166-S170 WeakPolarHBondContact O-CB 3.49Å; T166-S170 PolarHBondContact O-N 3.1Å; T166-L183 HydrophobicContact CG2-CD1 3.79Å; T166-L183 HydrophobicContact CG2-CD2 4.03Å; T166-L183 HydrophobicContact CG2-CG 3.81Å; T166-L210 HydrophobicContact CG2-CD1 3.66Å; T166-W223 HydrophobicContact CG2-CH2 4.32Å
167L92.8Very high90.2Very high47 Ų4763.7 Ų63.725%0.24631%0.312CS..Hα-helixtrans-59.9-43.5173.5-173.7157000111.2F163 I164 S170 F171 L210 I211F163-L167 HydrophobicContact CE1-CD1 3.88Å; F163-L167 HydrophobicContact CZ-CD1 4.05Å; F163-L167 VanDerWaalsContact O-CB 3.32Å; F163-L167 WeakPolarHBondContact O-CB 3.21Å; F163-L167 PolarHBondContact O-N 2.98Å; I164-L167 WeakPolarHBondContact O-CB 3.38Å; I164-L167 PolarHBondContact O-N 3.04Å; L167-S170 WeakPolarHBondContact O-CB 3.35Å; L167-S170 PolarHBondContact O-N 2.88Å; L167-F171 WeakPolarHBondContact O-CB 3.22Å; L167-F171 PolarHBondContact O-N 3.4Å; L167-L210 HydrophobicContact CB-CD2 3.79Å; L167-L210 HydrophobicContact CD1-CD2 4.21Å; L167-L210 HydrophobicContact CG-CD2 4.11Å; L167-I211 HydrophobicContact CD1-CG1 4.32Å
168L91.7Very high90.1Very high84 Ų8461.4 Ų61.444%0.4431%0.305SS..Hα-helixtrans-62.7-44.2178-161.567.8000111.6I164 T165 T166 S170 F171 F172I164-L168 WeakPolarHBondContact O-CB 3.21Å; I164-L168 PolarHBondContact O-N 3.39Å; T165-L168 WeakPolarHBondContact O-CB 3.11Å; T165-L168 PolarHBondContact O-N 3.46Å; T166-L168 VanDerWaalsContact C-N 3.32Å; T166-L168 PolarHBondContact O-N 3.29Å; L168-S170 VanDerWaalsContact C-N 3.33Å; L168-F171 PolarHBondContact O-N 3.05Å; L168-F172 HydrophobicContact CD1-CD2 3.78Å; L168-F172 HydrophobicContact CD1-CE2 3.35Å; L168-F172 HydrophobicContact CD1-CZ 4.47Å; L168-F172 HydrophobicContact CG-CD2 3.8Å; L168-F172 HydrophobicContact CG-CE2 3.85Å; L168-F172 WeakPolarHBondContact O-CD2 3.37Å; L168-F172 PolarHBondContact O-N 3.36Å
169Y91.8Very high90.1Very high91 Ų9155.8 Ų55.836%0.35728%0.283SS..Hα-helixtrans-63.8-38.4173.3-65.8-24.1000112.1T165 T166 L173 G174 V178 C182T165-Y169 HydrophobicContact CG2-CD2 4.16Å; T165-Y169 HydrophobicContact CG2-CE1 4.4Å; T165-Y169 HydrophobicContact CG2-CE2 3.55Å; T165-Y169 WeakPolarHBondContact O-CD2 3.47Å; T165-Y169 PolarHBondContact O-N 3.42Å; T166-Y169 PolarHBondContact O-N 2.89Å; Y169-L173 HydrophobicContact CD1-CD1 4.3Å; Y169-L173 CarbonylContact O-C 3.53Å; Y169-L173 WeakPolarHBondContact O-CA 3.03Å; Y169-L173 WeakPolarHBondContact O-CB 3.42Å; Y169-L173 PolarHBondContact O-N 3.27Å; Y169-G174 PolarHBondContact O-N 3.12Å; Y169-V178 HydrophobicContact CG-CG1 4.45Å; Y169-C182 HydrophobicContact CD2-CB 4.46Å
170S91.4Very high90.1Very high0 Ų054.6 Ų54.60%027%0.273CS..Hα-helixtrans-65.4-42.8175.9-165.30000111T166 L167 L168 G174 D179 W203T166-S170 WeakPolarHBondContact O-CB 3.49Å; T166-S170 PolarHBondContact O-N 3.1Å; L167-S170 WeakPolarHBondContact O-CB 3.35Å; L167-S170 PolarHBondContact O-N 2.88Å; L168-S170 VanDerWaalsContact C-N 3.33Å; S170-G174 WeakPolarHBondContact O-CA 3.49Å; S170-G174 PolarHBondContact O-N 3.46Å; S170-D179 PolarHBondContact OG-OD2 3.33Å; S170-W203 PolarHBondContact O-NE1 3.29Å
171F89.8Confident90.2Very high109 Ų10956.3 Ų56.348%0.47827%0.269SS..Hα-helixtrans-65.8-51.4179-175-100.8000113L167 L168 W203L167-F171 WeakPolarHBondContact O-CB 3.22Å; L167-F171 PolarHBondContact O-N 3.4Å; L168-F171 PolarHBondContact O-N 3.05Å; F171-W203 HydrophobicContact CD2-CZ2 4.22Å; F171-W203 HydrophobicContact CE2-CZ2 4.48Å; F171-W203 PolarHBondContact O-NE1 2.91Å
172F88.8Confident90.2Very high143 Ų14356.7 Ų56.763%0.62728%0.276SS*.Hα-helixtrans-87.4-35.4-175-69-63.4000114.5L168L168-F172 HydrophobicContact CD1-CD2 3.78Å; L168-F172 HydrophobicContact CD1-CE2 3.35Å; L168-F172 HydrophobicContact CD1-CZ 4.47Å; L168-F172 HydrophobicContact CG-CD2 3.8Å; L168-F172 HydrophobicContact CG-CE2 3.85Å; L168-F172 WeakPolarHBondContact O-CD2 3.37Å; L168-F172 PolarHBondContact O-N 3.36Å
173L88.1Confident90.2Very high66 Ų6653.6 Ų53.635%0.34626%0.264SS..Hα-helixtrans-120.17.6-170.8-59.6172.9000112.7Y169 C175 F176 G177 V178Y169-L173 HydrophobicContact CD1-CD1 4.3Å; Y169-L173 CarbonylContact O-C 3.53Å; Y169-L173 WeakPolarHBondContact O-CA 3.03Å; Y169-L173 WeakPolarHBondContact O-CB 3.42Å; Y169-L173 PolarHBondContact O-N 3.27Å; L173-C175 VanDerWaalsContact C-N 3.27Å; L173-C175 PolarHBondContact O-N 3.37Å; L173-F176 HydrophobicContact CD2-CD2 4.34Å; L173-F176 WeakPolarHBondContact O-CA 3.15Å; L173-F176 WeakPolarHBondContact O-CB 3.48Å; L173-F176 PolarHBondContact O-N 3.04Å; L173-G177 PolarHBondContact O-N 3.29Å; L173-V178 HydrophobicContact CB-CB 3.8Å; L173-V178 HydrophobicContact CB-CG1 4.45Å; L173-V178 HydrophobicContact CB-CG2 3.84Å; L173-V178 HydrophobicContact CD1-CB 4.34Å; L173-V178 HydrophobicContact CD1-CG1 4.15Å; L173-V178 HydrophobicContact CD1-CG2 4.27Å
174G83.6Confident90.1Very high1 Ų152.6 Ų52.61%0.0127%0.269CS..G310 helixtrans-69.3-21.5-175.500000114.4Y169 S170 F176 G177 D179Y169-G174 PolarHBondContact O-N 3.12Å; S170-G174 WeakPolarHBondContact O-CA 3.49Å; S170-G174 PolarHBondContact O-N 3.46Å; G174-F176 PolarHBondContact O-N 3.3Å; G174-G177 PolarHBondContact O-N 2.89Å; G174-D179 WeakPolarHBondContact CA-OD1 3.27Å
175C83.6Confident90Very high62 Ų6250.8 Ų50.842%0.41926%0.259SS..G310 helixtrans-62.7-30.5168.7-66.60000112.2L173 G197L173-C175 VanDerWaalsContact C-N 3.27Å; L173-C175 PolarHBondContact O-N 3.37Å; C175-G197 WeakPolarHBondContact O-CA 3.4Å
176F86.9Confident90Very high130 Ų13052.5 Ų52.557%0.5727%0.269SS*.G310 helixtrans-88.5-5.2173.4-60.1-75000112.6L173 G174 V178 L193L173-F176 HydrophobicContact CD2-CD2 4.34Å; L173-F176 WeakPolarHBondContact O-CA 3.15Å; L173-F176 WeakPolarHBondContact O-CB 3.48Å; L173-F176 PolarHBondContact O-N 3.04Å; G174-F176 PolarHBondContact O-N 3.3Å; F176-V178 VanDerWaalsContact C-N 3.3Å; F176-V178 HydrophobicContact CB-CG2 4.12Å; F176-V178 PolarHBondContact O-N 3.17Å; F176-L193 HydrophobicContact CB-CD2 4.34Å; F176-L193 WeakPolarHBondContact O-CD2 3.5Å
177G88.1Confident89.9Confident0 Ų055.2 Ų55.20%030%0.298CS..THydrogen-bonded Turntrans70.419.3-179.700000115L173 G174 D179 R180 F181L173-G177 PolarHBondContact O-N 3.29Å; G174-G177 PolarHBondContact O-N 2.89Å; G177-D179 VanDerWaalsContact C-OD1 3.28Å; G177-D179 WeakPolarHBondContact CA-OD1 3.3Å; G177-D179 PolarHBondContact O-N 3.39Å; G177-R180 PolarHBondContact O-N 2.67Å; G177-F181 VanDerWaalsContact O-CD2 3.22Å; G177-F181 WeakPolarHBondContact O-CD2 3.26Å; G177-F181 PolarHBondContact O-N 3.37Å; G177-F181 VanDerWaalsContact O-N 3.15Å
178V90.5Very high89.7Confident43 Ų4355.8 Ų55.826%0.26130%0.304SS..Hα-helixtrans-58.6-37.1179.9175.40000111.5Y169 L173 F176 R180 F181 C182Y169-V178 HydrophobicContact CG-CG1 4.45Å; L173-V178 HydrophobicContact CB-CB 3.8Å; L173-V178 HydrophobicContact CB-CG1 4.45Å; L173-V178 HydrophobicContact CB-CG2 3.84Å; L173-V178 HydrophobicContact CD1-CB 4.34Å; L173-V178 HydrophobicContact CD1-CG1 4.15Å; L173-V178 HydrophobicContact CD1-CG2 4.27Å; F176-V178 VanDerWaalsContact C-N 3.3Å; F176-V178 HydrophobicContact CB-CG2 4.12Å; F176-V178 PolarHBondContact O-N 3.17Å; V178-R180 VanDerWaalsContact C-N 3.29Å; V178-R180 PolarHBondContact O-N 3.41Å; V178-F181 PolarHBondContact O-N 2.92Å; V178-C182 PolarHBondContact O-N 3.04Å; V178-C182 PolarHBondContact O-SG 3.08Å
179D90.6Very high89.6Confident0 Ų051.8 Ų51.80%028%0.283CS..Hα-helixtrans-54.8-41.3173.959.6-49.3000112.9S170 G174 G177 L183 K192S170-D179 PolarHBondContact OG-OD2 3.33Å; G174-D179 WeakPolarHBondContact CA-OD1 3.27Å; G177-D179 VanDerWaalsContact C-OD1 3.28Å; G177-D179 WeakPolarHBondContact CA-OD1 3.3Å; G177-D179 PolarHBondContact O-N 3.39Å; D179-L183 WeakPolarHBondContact O-CG 3.5Å; D179-L183 PolarHBondContact O-N 3.31Å; D179-K192 IonicContact OD1-NZ 3.41Å; D179-K192 PolarHBondContact OD1-NZ 2.57Å; D179-K192 IonicContact OD2-NZ 3.41Å; D179-K192 PolarHBondContact OD2-NZ 3.09Å
180R91.4Very high89.6Confident27 Ų2750.5 Ų50.510%0.10228%0.284CS..Hα-helixtrans-76.7-34.2178.4-68.9-70.2-178144.50.8112.7G177 V178 L183 G184 H185 A189 D206G177-R180 PolarHBondContact O-N 2.67Å; V178-R180 VanDerWaalsContact C-N 3.29Å; V178-R180 PolarHBondContact O-N 3.41Å; R180-L183 PolarHBondContact O-N 3.18Å; R180-G184 PolarHBondContact O-N 2.85Å; R180-H185 HydrophobicContact CB-CB 4.31Å; R180-H185 PolarHBondContact O-N 3.07Å; R180-A189 HydrophobicContact CB-CB 3.65Å; R180-D206 WeakPolarHBondContact CG-OD2 3.45Å; R180-D206 IonicContact CZ-OD1 3.69Å; R180-D206 IonicContact CZ-OD2 3.25Å; R180-D206 VanDerWaalsContact CZ-OD2 3.25Å; R180-D206 IonicContact NE-OD1 3.88Å; R180-D206 IonicContact NE-OD2 2.67Å; R180-D206 PolarHBondContact NE-OD2 2.93Å; R180-D206 IonicContact NH2-OD1 2.81Å; R180-D206 PolarHBondContact NH2-OD1 3.31Å; R180-D206 IonicContact NH2-OD2 3.09Å; R180-D206 PolarHBondContact NH2-OD2 3.49Å; R180-D206 VanDerWaalsContact NH2-OD2 3.09Å
181F92.3Very high89.5Confident75 Ų7551.9 Ų51.933%0.32930%0.299SS..Hα-helixtrans-63.3-43.8172.6-76.4-66.3000111.5G177 V178 L183 G184 T186 A189 V190 L193G177-F181 VanDerWaalsContact O-CD2 3.22Å; G177-F181 WeakPolarHBondContact O-CD2 3.26Å; G177-F181 PolarHBondContact O-N 3.37Å; G177-F181 VanDerWaalsContact O-N 3.15Å; V178-F181 PolarHBondContact O-N 2.92Å; F181-L183 PolarHBondContact O-N 3.39Å; F181-G184 PolarHBondContact O-N 3.46Å; F181-G184 VanDerWaalsContact O-N 3.14Å; F181-T186 HydrophobicContact CD1-CG2 4.41Å; F181-T186 HydrophobicContact CE1-CG2 4.08Å; F181-A189 HydrophobicContact CD1-CB 3.63Å; F181-A189 HydrophobicContact CD2-CB 3.57Å; F181-A189 HydrophobicContact CE1-CB 3.56Å; F181-A189 HydrophobicContact CE2-CB 3.48Å; F181-A189 VanDerWaalsContact CE2-CB 3.48Å; F181-A189 HydrophobicContact CG-CB 3.63Å; F181-A189 HydrophobicContact CZ-CB 3.47Å; F181-A189 VanDerWaalsContact CZ-CB 3.47Å; F181-V190 HydrophobicContact CE1-CG2 4.09Å; F181-V190 HydrophobicContact CZ-CG2 4.03Å; F181-L193 HydrophobicContact CE2-CD1 3.59Å; F181-L193 HydrophobicContact CE2-CG 4.15Å; F181-L193 HydrophobicContact CZ-CD1 3.66Å; F181-L193 HydrophobicContact CZ-CG 4.48Å
182C90.1Very high89.3Confident49 Ų4946.8 Ų46.833%0.33128%0.277SS..Hα-helixtrans-63.6-29.7178.4-69.40000113H161 Y169 V178 G184H161-C182 PolarHBondContact CE1-O 3.09Å; H161-C182 PolarHBondContact ND1-O 3.1Å; Y169-C182 HydrophobicContact CD2-CB 4.46Å; V178-C182 PolarHBondContact O-N 3.04Å; V178-C182 PolarHBondContact O-SG 3.08Å; C182-G184 VanDerWaalsContact C-N 3.34Å
183L91.8Very high89.3Confident1 Ų143.6 Ų43.61%0.00527%0.266CS..THydrogen-bonded Turntrans-86.2-1177.6-69.8169.8000114.2T166 D179 R180 F181 H185 L215 P217 S218 W223T166-L183 HydrophobicContact CG2-CD1 3.79Å; T166-L183 HydrophobicContact CG2-CD2 4.03Å; T166-L183 HydrophobicContact CG2-CG 3.81Å; D179-L183 WeakPolarHBondContact O-CG 3.5Å; D179-L183 PolarHBondContact O-N 3.31Å; R180-L183 PolarHBondContact O-N 3.18Å; F181-L183 PolarHBondContact O-N 3.39Å; L183-H185 VanDerWaalsContact C-N 3.34Å; L183-L215 HydrophobicContact CD1-CD1 4.17Å; L183-L215 HydrophobicContact CD1-CD2 3.61Å; L183-L215 HydrophobicContact CD1-CG 3.63Å; L183-P217 HydrophobicContact CD2-CB 4.29Å; L183-P217 HydrophobicContact CD2-CG 3.84Å; L183-S218 WeakPolarHBondContact O-CB 3.49Å; L183-S218 PolarHBondContact O-N 3.35Å; L183-S218 PolarHBondContact O-OG 2.92Å; L183-W223 HydrophobicContact CD2-CH2 3.65Å; L183-W223 HydrophobicContact CD2-CZ3 3.88Å
184G91.3Very high89.2Confident36 Ų3647 Ų4737%0.37128%0.284SS..THydrogen-bonded Turntrans82.35.3-17800000115.1R180 F181 C182 T186 S218R180-G184 PolarHBondContact O-N 2.85Å; F181-G184 PolarHBondContact O-N 3.46Å; F181-G184 VanDerWaalsContact O-N 3.14Å; C182-G184 VanDerWaalsContact C-N 3.34Å; G184-T186 PolarHBondContact O-N 3.33Å; G184-S218 WeakPolarHBondContact CA-OG 3.33Å
185H91.6Very high89.2Confident54 Ų5449.4 Ų49.425%0.2530%0.298CS..  trans-8353.4177.8-67.1-62.8000112.5R180 L183 G187 T188 A189 M216R180-H185 HydrophobicContact CB-CB 4.31Å; R180-H185 PolarHBondContact O-N 3.07Å; L183-H185 VanDerWaalsContact C-N 3.34Å; H185-G187 VanDerWaalsContact C-N 3.29Å; H185-G187 PolarHBondContact O-N 3.31Å; H185-T188 WeakPolarHBondContact CB-OG1 3.48Å; H185-T188 PolarHBondContact O-N 3.47Å; H185-T188 PolarHBondContact O-OG1 2.99Å; H185-A189 WeakPolarHBondContact O-CB 3.31Å; H185-A189 PolarHBondContact O-N 2.95Å; H185-M216 PolarHBondContact NE2-O 3.06Å
186T91.1Very high89.1Confident79 Ų7953.4 Ų53.449%0.48532%0.315SS..Hα-helixtrans-54.3-40.1-171.6-52.10000113.2F181 G184 A189 V190F181-T186 HydrophobicContact CD1-CG2 4.41Å; F181-T186 HydrophobicContact CE1-CG2 4.08Å; G184-T186 PolarHBondContact O-N 3.33Å; T186-A189 PolarHBondContact O-N 3.18Å; T186-V190 HydrophobicContact CG2-CG2 4.35Å; T186-V190 VanDerWaalsContact O-CG2 3.31Å; T186-V190 WeakPolarHBondContact O-CG2 2.85Å; T186-V190 PolarHBondContact O-N 3.09Å
187G90.3Very high88.2Confident62 Ų6247.3 Ų47.364%0.63929%0.289SS*.Hα-helixtrans-60.8-49.7179.300000112.9H185 A189 V190 G191H185-G187 VanDerWaalsContact C-N 3.29Å; H185-G187 PolarHBondContact O-N 3.31Å; G187-A189 VanDerWaalsContact C-N 3.32Å; G187-A189 PolarHBondContact O-N 3.19Å; G187-V190 PolarHBondContact O-N 2.94Å; G187-G191 PolarHBondContact O-N 2.87Å
188T88.7Confident87.3Confident60 Ų6047.9 Ų47.937%0.36829%0.294SS..Hα-helixtrans-68-33.2177.665.40000112.3H185 G191 K192H185-T188 WeakPolarHBondContact CB-OG1 3.48Å; H185-T188 PolarHBondContact O-N 3.47Å; H185-T188 PolarHBondContact O-OG1 2.99Å; T188-G191 PolarHBondContact O-N 3.03Å; T188-K192 PolarHBondContact O-N 3.36Å
189A90.6Very high86.6Confident0 Ų052.4 Ų52.40%032%0.316CS..Hα-helixtrans-66.4-44.1177.600000111.8R180 F181 H185 T186 G187 K192 L193R180-A189 HydrophobicContact CB-CB 3.65Å; F181-A189 HydrophobicContact CD1-CB 3.63Å; F181-A189 HydrophobicContact CD2-CB 3.57Å; F181-A189 HydrophobicContact CE1-CB 3.56Å; F181-A189 HydrophobicContact CE2-CB 3.48Å; F181-A189 VanDerWaalsContact CE2-CB 3.48Å; F181-A189 HydrophobicContact CG-CB 3.63Å; F181-A189 HydrophobicContact CZ-CB 3.47Å; F181-A189 VanDerWaalsContact CZ-CB 3.47Å; H185-A189 WeakPolarHBondContact O-CB 3.31Å; H185-A189 PolarHBondContact O-N 2.95Å; T186-A189 PolarHBondContact O-N 3.18Å; G187-A189 VanDerWaalsContact C-N 3.32Å; G187-A189 PolarHBondContact O-N 3.19Å; A189-K192 WeakPolarHBondContact O-CB 3.39Å; A189-K192 PolarHBondContact O-N 3.17Å; A189-L193 PolarHBondContact O-N 3.08Å; A189-L193 VanDerWaalsContact O-N 3.09Å
190V90.9Very high86.1Confident63 Ų6353.6 Ų53.638%0.38233%0.328SS..Hα-helixtrans-64.7-40.8173.5173.90000111F181 T186 G187 K192 L193 L194F181-V190 HydrophobicContact CE1-CG2 4.09Å; F181-V190 HydrophobicContact CZ-CG2 4.03Å; T186-V190 HydrophobicContact CG2-CG2 4.35Å; T186-V190 VanDerWaalsContact O-CG2 3.31Å; T186-V190 WeakPolarHBondContact O-CG2 2.85Å; T186-V190 PolarHBondContact O-N 3.09Å; G187-V190 PolarHBondContact O-N 2.94Å; V190-K192 VanDerWaalsContact C-N 3.31Å; V190-K192 PolarHBondContact O-N 3.38Å; V190-L193 PolarHBondContact O-N 3Å; V190-L193 VanDerWaalsContact O-N 3.1Å; V190-L194 HydrophobicContact CG1-CD1 4.02Å; V190-L194 HydrophobicContact CG1-CG 4.21Å; V190-L194 WeakPolarHBondContact O-CG 3.47Å; V190-L194 PolarHBondContact O-N 3.32Å
191G88.8Confident85.9Confident30 Ų3057.9 Ų57.931%0.30935%0.352SS..Hα-helixtrans-57.2-42.6174.700000113G187 T188 T195G187-G191 PolarHBondContact O-N 2.87Å; T188-G191 PolarHBondContact O-N 3.03Å; G191-T195 WeakPolarHBondContact O-CB 3.42Å; G191-T195 WeakPolarHBondContact O-CG2 3.49Å; G191-T195 PolarHBondContact O-N 3.4Å; G191-T195 VanDerWaalsContact O-N 3.11Å; G191-T195 PolarHBondContact O-OG1 3.05Å
192K87.4Confident85.7Confident1 Ų160.2 Ų60.20%0.00436%0.358CS..Hα-helixtrans-61.4-44.5172.2-75.4-177.5172.8-170.40112.3D179 T188 A189 V190 T195 L196 G197 W202 D206D179-K192 IonicContact OD1-NZ 3.41Å; D179-K192 PolarHBondContact OD1-NZ 2.57Å; D179-K192 IonicContact OD2-NZ 3.41Å; D179-K192 PolarHBondContact OD2-NZ 3.09Å; T188-K192 PolarHBondContact O-N 3.36Å; A189-K192 WeakPolarHBondContact O-CB 3.39Å; A189-K192 PolarHBondContact O-N 3.17Å; V190-K192 VanDerWaalsContact C-N 3.31Å; V190-K192 PolarHBondContact O-N 3.38Å; K192-T195 WeakPolarHBondContact CA-OG1 3.31Å; K192-T195 CarbonylContact O-C 3.6Å; K192-T195 PolarHBondContact O-N 2.66Å; K192-T195 PolarHBondContact O-OG1 3.45Å; K192-T195 VanDerWaalsContact O-OG1 3.08Å; K192-L196 PolarHBondContact O-N 2.86Å; K192-G197 PolarHBondContact O-N 3.08Å; K192-W202 HydrophobicContact CG-CE3 4.02Å; K192-D206 VanDerWaalsContact CE-CG 3.45Å; K192-D206 WeakPolarHBondContact CE-OD2 3.35Å; K192-D206 VanDerWaalsContact NZ-CG 3.25Å; K192-D206 IonicContact NZ-OD2 2.57Å; K192-D206 PolarHBondContact NZ-OD2 3.44Å
193L86.9Confident85.6Confident77 Ų7760.9 Ų60.940%0.40335%0.354SS..Hα-helixtrans-63-44.4179.3-76179.5000112.6F176 F181 A189 V190 T195 L196F176-L193 HydrophobicContact CB-CD2 4.34Å; F176-L193 WeakPolarHBondContact O-CD2 3.5Å; F181-L193 HydrophobicContact CE2-CD1 3.59Å; F181-L193 HydrophobicContact CE2-CG 4.15Å; F181-L193 HydrophobicContact CZ-CD1 3.66Å; F181-L193 HydrophobicContact CZ-CG 4.48Å; A189-L193 PolarHBondContact O-N 3.08Å; A189-L193 VanDerWaalsContact O-N 3.09Å; V190-L193 PolarHBondContact O-N 3Å; V190-L193 VanDerWaalsContact O-N 3.1Å; L193-T195 PolarHBondContact O-N 3.05Å; L193-L196 PolarHBondContact O-N 3.48Å
194L87.3Confident85.5Confident138 Ų13866.2 Ų66.272%0.72338%0.377SS*.Hα-helixtrans-65.1-31.1178.8-68.5178000112.3V190 L196V190-L194 HydrophobicContact CG1-CD1 4.02Å; V190-L194 HydrophobicContact CG1-CG 4.21Å; V190-L194 WeakPolarHBondContact O-CG 3.47Å; V190-L194 PolarHBondContact O-N 3.32Å; L194-L196 VanDerWaalsContact C-N 3.28Å
195T84.3Confident85.5Confident50 Ų5067.7 Ų67.731%0.30738%0.379SS..THydrogen-bonded Turntrans-88.79.7175.757.60000113.2G191 K192 L193 G197 G198G191-T195 WeakPolarHBondContact O-CB 3.42Å; G191-T195 WeakPolarHBondContact O-CG2 3.49Å; G191-T195 PolarHBondContact O-N 3.4Å; G191-T195 VanDerWaalsContact O-N 3.11Å; G191-T195 PolarHBondContact O-OG1 3.05Å; K192-T195 WeakPolarHBondContact CA-OG1 3.31Å; K192-T195 CarbonylContact O-C 3.6Å; K192-T195 PolarHBondContact O-N 2.66Å; K192-T195 PolarHBondContact O-OG1 3.45Å; K192-T195 VanDerWaalsContact O-OG1 3.08Å; L193-T195 PolarHBondContact O-N 3.05Å; T195-G197 PolarHBondContact O-N 2.94Å; T195-G198 PolarHBondContact O-N 3.44Å
196L79.4Confident85.5Confident147 Ų14765.3 Ų65.377%0.7737%0.368SS*.THydrogen-bonded Turntrans50.637.4-175.4-67.3170.4000113K192 L193 L194 G198K192-L196 PolarHBondContact O-N 2.86Å; L193-L196 PolarHBondContact O-N 3.48Å; L194-L196 VanDerWaalsContact C-N 3.28Å; L196-G198 VanDerWaalsContact C-N 3.27Å; L196-G198 PolarHBondContact O-N 2.81Å
197G69.4Low85.5Confident2 Ų262.6 Ų62.62%0.02135%0.351CS..THydrogen-bonded Turntrans73.416.5-178.400000114.1C175 K192 T195 L199 G200C175-G197 WeakPolarHBondContact O-CA 3.4Å; K192-G197 PolarHBondContact O-N 3.08Å; T195-G197 PolarHBondContact O-N 2.94Å; G197-L199 PolarHBondContact O-N 3.22Å; G197-G200 PolarHBondContact O-N 3.42Å
198G68.6Low85.7Confident11 Ų1163.4 Ų63.411%0.11334%0.339CS..G310 helixtrans49.553.7172.100000114.2T195 L196 G200 I201T195-G198 PolarHBondContact O-N 3.44Å; L196-G198 VanDerWaalsContact C-N 3.27Å; L196-G198 PolarHBondContact O-N 2.81Å; G198-G200 PolarHBondContact O-N 2.93Å; G198-I201 PolarHBondContact O-N 2.81Å
199L75.9Confident85.9Confident139 Ų13963.7 Ų63.773%0.72834%0.339SS*.G310 helixtrans51.723-178.7-65.9100.6000115.1L16 G197 I201L16-L199 HydrophobicContact CD1-CD1 4.05Å; L16-L199 HydrophobicContact CD1-CD2 4.12Å; L16-L199 HydrophobicContact CD1-CG 4.21Å; L16-L199 HydrophobicContact CD2-CD1 4.32Å; G197-L199 PolarHBondContact O-N 3.22Å; L199-I201 VanDerWaalsContact C-N 3.31Å; L199-I201 PolarHBondContact O-N 2.78Å
200G80.3Confident86Confident24 Ų2463.7 Ų63.725%0.24734%0.339CS..G310 helixtrans85.3-6.6-179.100000115G197 G198 W203 F204G197-G200 PolarHBondContact O-N 3.42Å; G198-G200 PolarHBondContact O-N 2.93Å; G200-W203 WeakPolarHBondContact O-CB 2.95Å; G200-W203 PolarHBondContact O-N 3.11Å; G200-F204 PolarHBondContact O-N 3.45Å; G200-F204 VanDerWaalsContact O-N 3.09Å
201I86.9Confident86.2Confident117 Ų11765.3 Ų65.360%0.634%0.344SS*.Hα-helixtrans-67.5-44.1175.3-62.9166.5000109.9G198 L199 W203 F204 V205G198-I201 PolarHBondContact O-N 2.81Å; L199-I201 VanDerWaalsContact C-N 3.31Å; L199-I201 PolarHBondContact O-N 2.78Å; I201-W203 VanDerWaalsContact C-N 3.29Å; I201-W203 PolarHBondContact O-N 3.04Å; I201-F204 PolarHBondContact O-N 2.94Å; I201-V205 HydrophobicContact CG2-CG2 4.37Å; I201-V205 WeakPolarHBondContact O-CG2 3.42Å; I201-V205 PolarHBondContact O-N 2.99Å
202W87.9Confident86.4Confident124 Ų12468.6 Ų68.647%0.4736%0.358SS..Hα-helixtrans-62.2-37.5176.9-81.177.6000112.6K192 D206K192-W202 HydrophobicContact CG-CE3 4.02Å; W202-D206 VanDerWaalsContact O-CB 3.31Å; W202-D206 WeakPolarHBondContact O-CB 3.39Å; W202-D206 PolarHBondContact O-N 3.37Å; W202-D206 VanDerWaalsContact O-N 3.08Å
203W88Confident86.4Confident63 Ų6369.7 Ų69.724%0.23937%0.37CS..Hα-helixtrans-61.1-47.5173165.884.2000111.4S170 F171 G200 I201 D206 L207S170-W203 PolarHBondContact O-NE1 3.29Å; F171-W203 HydrophobicContact CD2-CZ2 4.22Å; F171-W203 HydrophobicContact CE2-CZ2 4.48Å; F171-W203 PolarHBondContact O-NE1 2.91Å; G200-W203 WeakPolarHBondContact O-CB 2.95Å; G200-W203 PolarHBondContact O-N 3.11Å; I201-W203 VanDerWaalsContact C-N 3.29Å; I201-W203 PolarHBondContact O-N 3.04Å; W203-D206 PolarHBondContact O-N 2.95Å; W203-L207 HydrophobicContact CH2-CD2 4.18Å; W203-L207 HydrophobicContact CZ2-CD2 4.08Å; W203-L207 PolarHBondContact O-N 2.96Å
204F90.2Very high86.5Confident113 Ų11368.9 Ų68.950%0.49638%0.38SS..Hα-helixtrans-65.5-45.6-178.9-177.3-102.1000112.2G200 I201 D206 L207 I208G200-F204 PolarHBondContact O-N 3.45Å; G200-F204 VanDerWaalsContact O-N 3.09Å; I201-F204 PolarHBondContact O-N 2.94Å; F204-D206 VanDerWaalsContact C-N 3.27Å; F204-D206 PolarHBondContact O-N 3.48Å; F204-L207 PolarHBondContact O-N 3.35Å; F204-I208 HydrophobicContact CD1-CG1 4.36Å; F204-I208 HydrophobicContact CE1-CG1 3.96Å; F204-I208 HydrophobicContact CE2-CD1 4.4Å; F204-I208 HydrophobicContact CE2-CG1 4.43Å; F204-I208 HydrophobicContact CZ-CD1 4.08Å; F204-I208 HydrophobicContact CZ-CG1 4Å; F204-I208 WeakPolarHBondContact O-CG1 3.48Å; F204-I208 PolarHBondContact O-N 3.03Å
205V91.2Very high86.6Confident67 Ų6762.6 Ų62.641%0.40635%0.347SS..Hα-helixtrans-59-42.4177171.30000110.8I201 I208 L209I201-V205 HydrophobicContact CG2-CG2 4.37Å; I201-V205 WeakPolarHBondContact O-CG2 3.42Å; I201-V205 PolarHBondContact O-N 2.99Å; V205-I208 PolarHBondContact O-N 2.92Å; V205-L209 HydrophobicContact CG1-CD1 3.78Å; V205-L209 HydrophobicContact CG1-CG 4.31Å; V205-L209 WeakPolarHBondContact O-CB 3.04Å; V205-L209 WeakPolarHBondContact O-CG 3.32Å; V205-L209 PolarHBondContact O-N 3.43Å
206D90.8Very high86.9Confident4 Ų462.5 Ų62.52%0.02134%0.344CS..Hα-helixtrans-68.2-38179.2-88.926.5000113.5R180 K192 W202 W203 F204 I208 L209 L210R180-D206 WeakPolarHBondContact CG-OD2 3.45Å; R180-D206 IonicContact CZ-OD1 3.69Å; R180-D206 IonicContact CZ-OD2 3.25Å; R180-D206 VanDerWaalsContact CZ-OD2 3.25Å; R180-D206 IonicContact NE-OD1 3.88Å; R180-D206 IonicContact NE-OD2 2.67Å; R180-D206 PolarHBondContact NE-OD2 2.93Å; R180-D206 IonicContact NH2-OD1 2.81Å; R180-D206 PolarHBondContact NH2-OD1 3.31Å; R180-D206 IonicContact NH2-OD2 3.09Å; R180-D206 PolarHBondContact NH2-OD2 3.49Å; R180-D206 VanDerWaalsContact NH2-OD2 3.09Å; K192-D206 VanDerWaalsContact CE-CG 3.45Å; K192-D206 WeakPolarHBondContact CE-OD2 3.35Å; K192-D206 VanDerWaalsContact NZ-CG 3.25Å; K192-D206 IonicContact NZ-OD2 2.57Å; K192-D206 PolarHBondContact NZ-OD2 3.44Å; W202-D206 VanDerWaalsContact O-CB 3.31Å; W202-D206 WeakPolarHBondContact O-CB 3.39Å; W202-D206 PolarHBondContact O-N 3.37Å; W202-D206 VanDerWaalsContact O-N 3.08Å; W203-D206 PolarHBondContact O-N 2.95Å; F204-D206 VanDerWaalsContact C-N 3.27Å; F204-D206 PolarHBondContact O-N 3.48Å; D206-I208 VanDerWaalsContact C-N 3.31Å; D206-I208 PolarHBondContact O-N 3.32Å; D206-L209 PolarHBondContact O-N 3.4Å; D206-L210 VanDerWaalsContact O-CB 3.3Å; D206-L210 WeakPolarHBondContact O-CB 3.19Å; D206-L210 PolarHBondContact O-N 3.44Å
207L92.6Very high87.5Confident23 Ų2355.6 Ų55.612%0.1231%0.308CS..Hα-helixtrans-59.5-44.3172.8-177.163.9000111W203 F204 L210 I211W203-L207 HydrophobicContact CH2-CD2 4.18Å; W203-L207 HydrophobicContact CZ2-CD2 4.08Å; W203-L207 PolarHBondContact O-N 2.96Å; F204-L207 PolarHBondContact O-N 3.35Å; L207-L210 PolarHBondContact O-N 3.01Å; L207-I211 HydrophobicContact CD1-CD1 3.89Å; L207-I211 HydrophobicContact CD1-CG1 4.47Å; L207-I211 HydrophobicContact CG-CD1 3.91Å; L207-I211 WeakPolarHBondContact O-CD1 3.35Å; L207-I211 VanDerWaalsContact O-CG1 3.26Å; L207-I211 WeakPolarHBondContact O-CG1 3.47Å; L207-I211 PolarHBondContact O-N 3.26Å
208I94.2Very high88.5Confident78 Ų7858.4 Ų58.440%0.433%0.327SS..Hα-helixtrans-66.4-45.7177-62.2-59000111.2F204 V205 D206 L210 I211 T212F204-I208 HydrophobicContact CD1-CG1 4.36Å; F204-I208 HydrophobicContact CE1-CG1 3.96Å; F204-I208 HydrophobicContact CE2-CD1 4.4Å; F204-I208 HydrophobicContact CE2-CG1 4.43Å; F204-I208 HydrophobicContact CZ-CD1 4.08Å; F204-I208 HydrophobicContact CZ-CG1 4Å; F204-I208 WeakPolarHBondContact O-CG1 3.48Å; F204-I208 PolarHBondContact O-N 3.03Å; V205-I208 PolarHBondContact O-N 2.92Å; D206-I208 VanDerWaalsContact C-N 3.31Å; D206-I208 PolarHBondContact O-N 3.32Å; I208-L210 VanDerWaalsContact C-N 3.29Å; I208-L210 PolarHBondContact O-N 2.71Å; I208-I211 PolarHBondContact O-N 3.41Å; I208-T212 HydrophobicContact CG2-CG2 4.17Å; I208-T212 WeakPolarHBondContact O-CB 3.37Å; I208-T212 VanDerWaalsContact O-CG2 3.32Å; I208-T212 WeakPolarHBondContact O-CG2 3.49Å; I208-T212 PolarHBondContact O-N 3.4Å; I208-T212 PolarHBondContact O-OG1 3Å
209L92.3Very high89.4Confident67 Ų6760.4 Ų60.435%0.35134%0.335SS..Hα-helixtrans-60.7-38.2177.8-76.2169.1000112.3V205 D206 T212 G213 G214 L215V205-L209 HydrophobicContact CG1-CD1 3.78Å; V205-L209 HydrophobicContact CG1-CG 4.31Å; V205-L209 WeakPolarHBondContact O-CB 3.04Å; V205-L209 WeakPolarHBondContact O-CG 3.32Å; V205-L209 PolarHBondContact O-N 3.43Å; D206-L209 PolarHBondContact O-N 3.4Å; L209-T212 WeakPolarHBondContact CA-OG1 3.35Å; L209-T212 PolarHBondContact O-OG1 3.09Å; L209-G213 PolarHBondContact O-N 3.07Å; L209-G214 WeakPolarHBondContact O-CA 3.39Å; L209-G214 PolarHBondContact O-N 3.03Å; L209-L215 HydrophobicContact CB-CB 4.33Å; L209-L215 PolarHBondContact O-N 3.44Å; L209-L215 VanDerWaalsContact O-N 3.12Å
210L93.3Very high90Very high0 Ų059.1 Ų59.10%033%0.329CS..Hα-helixtrans-67.8-50176.6-170.7150.7000111.4F163 T166 L167 D206 L207 I208 T212 G213 L215F163-L210 HydrophobicContact CD2-CD2 4.16Å; F163-L210 HydrophobicContact CE2-CD2 3.5Å; F163-L210 VanDerWaalsContact CE2-CD2 3.5Å; F163-L210 HydrophobicContact CE2-CG 4.35Å; F163-L210 HydrophobicContact CZ-CD2 3.88Å; T166-L210 HydrophobicContact CG2-CD1 3.66Å; L167-L210 HydrophobicContact CB-CD2 3.79Å; L167-L210 HydrophobicContact CD1-CD2 4.21Å; L167-L210 HydrophobicContact CG-CD2 4.11Å; D206-L210 VanDerWaalsContact O-CB 3.3Å; D206-L210 WeakPolarHBondContact O-CB 3.19Å; D206-L210 PolarHBondContact O-N 3.44Å; L207-L210 PolarHBondContact O-N 3.01Å; I208-L210 VanDerWaalsContact C-N 3.29Å; I208-L210 PolarHBondContact O-N 2.71Å; L210-T212 VanDerWaalsContact C-N 3.31Å; L210-T212 PolarHBondContact O-N 3.46Å; L210-G213 PolarHBondContact O-N 3.01Å; L210-G213 VanDerWaalsContact O-N 3.1Å; L210-L215 HydrophobicContact CB-CB 4.48Å; L210-L215 HydrophobicContact CB-CD2 4.32Å; L210-L215 HydrophobicContact CD1-CD2 4.39Å
211I93.9Very high90.5Very high96 Ų9658 Ų5849%0.49232%0.317SS..Hα-helixtrans-65.2-36.4-178.5-67167.3000111.6L167 L207 I208 G213L167-I211 HydrophobicContact CD1-CG1 4.32Å; L207-I211 HydrophobicContact CD1-CD1 3.89Å; L207-I211 HydrophobicContact CD1-CG1 4.47Å; L207-I211 HydrophobicContact CG-CD1 3.91Å; L207-I211 WeakPolarHBondContact O-CD1 3.35Å; L207-I211 VanDerWaalsContact O-CG1 3.26Å; L207-I211 WeakPolarHBondContact O-CG1 3.47Å; L207-I211 PolarHBondContact O-N 3.26Å; I208-I211 PolarHBondContact O-N 3.41Å; I211-G213 PolarHBondContact O-N 2.95Å
212T93.3Very high90.7Very high100 Ų10053.4 Ų53.461%0.61329%0.294SS*.THydrogen-bonded Turntrans-76.6-3.8177.453.70000113.6I208 L209 L210 G214I208-T212 HydrophobicContact CG2-CG2 4.17Å; I208-T212 WeakPolarHBondContact O-CB 3.37Å; I208-T212 VanDerWaalsContact O-CG2 3.32Å; I208-T212 WeakPolarHBondContact O-CG2 3.49Å; I208-T212 PolarHBondContact O-N 3.4Å; I208-T212 PolarHBondContact O-OG1 3Å; L209-T212 WeakPolarHBondContact CA-OG1 3.35Å; L209-T212 PolarHBondContact O-OG1 3.09Å; L210-T212 VanDerWaalsContact C-N 3.31Å; L210-T212 PolarHBondContact O-N 3.46Å; T212-G214 VanDerWaalsContact C-N 3.25Å; T212-G214 PolarHBondContact O-N 3.49Å
213G88.4Confident90.9Very high24 Ų2449.4 Ų49.425%0.24728%0.278CS..THydrogen-bonded Turntrans76.28.6-179.500000114.5L209 L210 I211 L215L209-G213 PolarHBondContact O-N 3.07Å; L210-G213 PolarHBondContact O-N 3.01Å; L210-G213 VanDerWaalsContact O-N 3.1Å; I211-G213 PolarHBondContact O-N 2.95Å; G213-L215 PolarHBondContact O-N 3.42Å
214G87.9Confident91.1Very high59 Ų5947.2 Ų47.261%0.60827%0.273SS*.  trans-75.3-12.3175.100000113.7L209 T212L209-G214 WeakPolarHBondContact O-CA 3.39Å; L209-G214 PolarHBondContact O-N 3.03Å; T212-G214 VanDerWaalsContact C-N 3.25Å; T212-G214 PolarHBondContact O-N 3.49Å
215L89.5Confident90.9Very high6 Ų646.1 Ų46.13%0.03128%0.275CS..  trans-111110.2174.7-176.759000110.5L183 L209 L210 G213 W223L183-L215 HydrophobicContact CD1-CD1 4.17Å; L183-L215 HydrophobicContact CD1-CD2 3.61Å; L183-L215 HydrophobicContact CD1-CG 3.63Å; L209-L215 HydrophobicContact CB-CB 4.33Å; L209-L215 PolarHBondContact O-N 3.44Å; L209-L215 VanDerWaalsContact O-N 3.12Å; L210-L215 HydrophobicContact CB-CB 4.48Å; L210-L215 HydrophobicContact CB-CD2 4.32Å; L210-L215 HydrophobicContact CD1-CD2 4.39Å; G213-L215 PolarHBondContact O-N 3.42Å; L215-W223 WeakPolarHBondContact O-CZ2 3.31Å
216M90.1Very high90.6Very high49 Ų4951.2 Ų51.224%0.24129%0.292CS..  trans-114.9161.4175.8-67.5178.472.200110.7Q122 H185Q122-M216 HydrophobicContact CG-CE 4.07Å; Q122-M216 HydrophobicContact CG-SD 4.35Å; Q122-M216 PolarHBondContact NE2-SD 3.41Å; H185-M216 PolarHBondContact NE2-O 3.06Å
217P91.8Very high89.6Confident2 Ų259.7 Ų59.71%0.01333%0.325CS..  trans-50.5143169-29.437.9000112.8H161 L183 D219 N220 S221 W223H161-P217 HydrophobicContact CB-CG 3.88Å; L183-P217 HydrophobicContact CD2-CB 4.29Å; L183-P217 HydrophobicContact CD2-CG 3.84Å; P217-D219 WeakPolarHBondContact CB-OD1 3.09Å; P217-D219 PolarHBondContact O-N 3.38Å; P217-N220 PolarHBondContact O-N 3.33Å; P217-N220 VanDerWaalsContact O-N 3.16Å; P217-S221 VanDerWaalsContact CB-OG 3.28Å; P217-S221 WeakPolarHBondContact CB-OG 3.33Å; P217-W223 HydrophobicContact CG-CZ3 4.42Å
218S91Very high89.4Confident60 Ų6061.6 Ų61.642%0.4234%0.336SS..THydrogen-bonded Turntrans-66-20.6-176.663.70000113.9L183 G184 N220L183-S218 WeakPolarHBondContact O-CB 3.49Å; L183-S218 PolarHBondContact O-N 3.35Å; L183-S218 PolarHBondContact O-OG 2.92Å; G184-S218 WeakPolarHBondContact CA-OG 3.33Å; S218-N220 VanDerWaalsContact C-N 3.26Å; S218-N220 PolarHBondContact O-N 3.27Å
219D88.6Confident89.2Confident54 Ų5460.7 Ų60.729%0.28933%0.332SS..THydrogen-bonded Turntrans-84.24.9178.367.1-17.1000113.4T159 P217 S221T159-D219 VanDerWaalsContact CB-OD2 3.26Å; T159-D219 WeakPolarHBondContact CB-OD2 3.49Å; T159-D219 WeakPolarHBondContact CG2-OD2 3.27Å; T159-D219 PolarHBondContact OG1-OD2 3.08Å; P217-D219 WeakPolarHBondContact CB-OD1 3.09Å; P217-D219 PolarHBondContact O-N 3.38Å; D219-S221 VanDerWaalsContact CG-OG 3.3Å; D219-S221 PolarHBondContact O-N 3.49Å; D219-S221 VanDerWaalsContact OD1-CB 3.3Å; D219-S221 WeakPolarHBondContact OD1-CB 3.29Å; D219-S221 PolarHBondContact OD1-N 3.06Å; D219-S221 VanDerWaalsContact OD1-N 3.14Å; D219-S221 PolarHBondContact OD1-OG 3.5Å; D219-S221 WeakPolarHBondContact OD2-CB 3.44Å; D219-S221 PolarHBondContact OD2-OG 3.21Å
220N87.3Confident89Confident112 Ų11260.3 Ų60.360%0.59933%0.331SS*.  trans58.324.3-175.4-56.9-72.3000114P217 S218P217-N220 PolarHBondContact O-N 3.33Å; P217-N220 VanDerWaalsContact O-N 3.16Å; S218-N220 VanDerWaalsContact C-N 3.26Å; S218-N220 PolarHBondContact O-N 3.27Å
221S90.9Very high88.7Confident0 Ų063.9 Ų63.90%035%0.351CS..PPolyproline II helixtrans-72.5159.2170.962.30000111.9K157 T159 P217 D219K157-S221 CarbonylContact O-C 3.49Å; K157-S221 VanDerWaalsContact O-CA 3.31Å; K157-S221 WeakPolarHBondContact O-CA 3.47Å; K157-S221 VanDerWaalsContact O-CB 3.29Å; K157-S221 WeakPolarHBondContact O-CB 3.49Å; T159-S221 VanDerWaalsContact OG1-CB 3.26Å; T159-S221 WeakPolarHBondContact OG1-CB 3.45Å; T159-S221 PolarHBondContact OG1-OG 3.17Å; P217-S221 VanDerWaalsContact CB-OG 3.28Å; P217-S221 WeakPolarHBondContact CB-OG 3.33Å; D219-S221 VanDerWaalsContact CG-OG 3.3Å; D219-S221 PolarHBondContact O-N 3.49Å; D219-S221 VanDerWaalsContact OD1-CB 3.3Å; D219-S221 WeakPolarHBondContact OD1-CB 3.29Å; D219-S221 PolarHBondContact OD1-N 3.06Å; D219-S221 VanDerWaalsContact OD1-N 3.14Å; D219-S221 PolarHBondContact OD1-OG 3.5Å; D219-S221 WeakPolarHBondContact OD2-CB 3.44Å; D219-S221 PolarHBondContact OD2-OG 3.21Å
222N92.3Very high88.4Confident20 Ų2061.9 Ų61.911%0.10734%0.342CS..EExtended strand (participates in β ladder)trans-88.6157.7171.5-83.1-64.8000111.2G121 I156 K157 Y158 C224G121-N222 PolarHBondContact O-ND2 3.33Å; G121-N222 VanDerWaalsContact O-ND2 3.16Å; G121-N222 PolarHBondContact O-OD1 3.5Å; I156-N222 WeakPolarHBondContact CG2-ND2 3.32Å; K157-N222 PolarHBondContact O-N 3.15Å; Y158-N222 HydrophobicContact CD1-CB 4.18Å; Y158-N222 HydrophobicContact CE1-CB 3.85Å; N222-C224 PolarHBondContact O-N 3.39Å
223W91.8Very high88.1Confident40 Ų4059.3 Ų59.315%0.15232%0.324CS..EExtended strand (participates in β ladder)trans-65.8129.2175.5-60.3111.1000111.2Y158 H161 F163 T166 L183 L215 P217 T225Y158-W223 WeakPolarHBondContact CE1-O 3.39Å; H161-W223 HydrophobicContact CB-CE3 4.29Å; H161-W223 HydrophobicContact CB-CZ3 4.3Å; F163-W223 HydrophobicContact CB-CB 4.28Å; F163-W223 HydrophobicContact CB-CD2 3.88Å; F163-W223 HydrophobicContact CB-CE3 3.96Å; F163-W223 HydrophobicContact CB-CG 4.04Å; F163-W223 HydrophobicContact CD2-CD2 4.15Å; F163-W223 AromaticContact CD2-CE2 3.83Å; F163-W223 HydrophobicContact CD2-CH2 4.43Å; F163-W223 AromaticContact CD2-CZ2 3.98Å; F163-W223 HydrophobicContact CD2-CZ2 3.98Å; T166-W223 HydrophobicContact CG2-CH2 4.32Å; L183-W223 HydrophobicContact CD2-CH2 3.65Å; L183-W223 HydrophobicContact CD2-CZ3 3.88Å; L215-W223 WeakPolarHBondContact O-CZ2 3.31Å; P217-W223 HydrophobicContact CG-CZ3 4.42Å; W223-T225 PolarHBondContact O-N 3.42Å
224C91.9Very high88.1Confident18 Ų1861.9 Ų61.912%0.12233%0.329CS..EExtended strand (participates in β ladder)trans-67.1127.7170.6-64.40000109.7G160 H161 Y162 N222G160-C224 VanDerWaalsContact CA-SG 3.54Å; G160-C224 PolarHBondContact N-SG 3.16Å; G160-C224 VanDerWaalsContact N-SG 3.41Å; H161-C224 PolarHBondContact O-N 3.5Å; Y162-C224 HydrophobicContact CD1-CB 3.54Å; Y162-C224 HydrophobicContact CE1-CB 3.31Å; Y162-C224 HydrophobicContact CG-CB 4.42Å; N222-C224 PolarHBondContact O-N 3.39Å
225T86.9Confident88.1Confident90 Ų9062.1 Ų62.155%0.55231%0.308SS*.  trans-89.1-20.2-176.948.30000113.6W223W223-T225 PolarHBondContact O-N 3.42Å
226F82.9Confident88Confident173 Ų17366.8 Ų66.876%0.75933%0.331SS*.  trans-117.2126.6-173.8-52-70.9000110.5Y162Y162-F226 WeakPolarHBondContact CE1-O 3.39Å
227Y70.1Confident87.8Confident183 Ų18368.4 Ų68.472%0.71834%0.339SS*.  trans-88.30-179.2-67-89.7000112.7Y162 I164Y162-Y227 AromaticContact CD1-CD1 3.88Å; Y162-Y227 HydrophobicContact CD1-CD1 3.88Å; Y162-Y227 AromaticContact CD1-CE1 3.75Å; Y162-Y227 HydrophobicContact CD1-CE1 3.75Å; Y162-Y227 HydrophobicContact CD1-CG 4.45Å; Y162-Y227 HydrophobicContact CE1-CD1 4.38Å; Y162-Y227 HydrophobicContact CG-CD1 4.05Å; Y162-Y227 AromaticContact CG-CE1 3.71Å; Y162-Y227 HydrophobicContact CG-CE1 3.71Å; I164-Y227 WeakPolarHBondContact CB-OH 3.39Å; I164-Y227 WeakPolarHBondContact CG1-OH 3.43Å; I164-Y227 PolarHBondContact N-OH 3.5Å

Retrieved 227 of 227 residues in 51.8 ms (Link to these results)