A0A5K4EKT2_SCHMA Loading...

LIM zinc-binding domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4EKT2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 279 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
1M34.2Very low45.1Very low241 Ų241136.8 Ų136.8100%1.18781%0.805SS**  0148.30-52.6-166.394.400107.8
2P45Very low45.4Very low111 Ų111133.9 Ų133.972%0.72179%0.79SS**  cis-127.1178.8-25.334.6-15.3000113.1
3T44.7Very low45.6Very low131 Ų131134.9 Ų134.980%0.80479%0.788SS**  trans78.697.6145.741.30000122.9
4V39.1Very low45.9Very low127 Ų127137.4 Ų137.477%0.7779%0.788SS**  trans-45.2137.4148.3-176.50000112.5
5K50.1Low45.9Very low207 Ų207134.7 Ų134.790%0.977%0.77SS**  trans-117107.5157.8-81.6-174.3176.6-179.20109.7
6T40.3Very low45.9Very low116 Ų116135 Ų13571%0.71277%0.765SS**  trans-73.2120.7168.8-45.20000108.8
7G44.4Very low45.9Very low66 Ų66136.4 Ų136.468%0.6876%0.76SS**  trans-106.8112.4174.100000110.1N9G7-N9 PolarHBondContact O-N 3.49Å
8N47Very low46Very low139 Ų139132.1 Ų132.174%0.74374%0.741SS**  trans-81.4106.1-173.5-51.1-27.6000110.1
9N52Low45.9Very low151 Ų151133 Ų13381%0.80774%0.736SS**  trans-99.481.5170.2-70.3-5.6000109.4G7 T11G7-N9 PolarHBondContact O-N 3.49Å; N9-T11 VanDerWaalsContact C-N 3.32Å; N9-T11 PolarHBondContact O-N 3.25Å
10A45Very low45.8Very low95 Ų95131.4 Ų131.479%0.78573%0.73SS**  trans-71.788.6168.300000109T12A10-T12 PolarHBondContact O-N 3.04Å; A10-T12 VanDerWaalsContact O-N 3.13Å
11T54.2Low45.8Very low121 Ų121129.3 Ų129.374%0.74272%0.721SS**  trans-72.7102.9173-24.20000108.5N9 L13N9-T11 VanDerWaalsContact C-N 3.32Å; N9-T11 PolarHBondContact O-N 3.25Å; T11-L13 PolarHBondContact O-N 3.19Å
12T48.4Very low46.3Very low102 Ų102120.8 Ų120.863%0.62669%0.685SS**  trans-53.8121.9177.717.10000111.6A10 H14 D15A10-T12 PolarHBondContact O-N 3.04Å; A10-T12 VanDerWaalsContact O-N 3.13Å; T12-H14 PolarHBondContact O-N 3.29Å; T12-D15 PolarHBondContact O-N 3.12Å
13L48.8Very low46.4Very low147 Ų147121 Ų12177%0.7768%0.68SS**THydrogen-bonded Turntrans-61.82.1-177.1-151.9126.6000114.6T11T11-L13 PolarHBondContact O-N 3.19Å
14H49.2Very low46.7Very low169 Ų169122.8 Ų122.878%0.78268%0.677SS**THydrogen-bonded Turntrans-86.4-21.8177.8-130.8-96000113.3T12T12-H14 PolarHBondContact O-N 3.29Å
15D46.3Very low47.2Very low97 Ų97121 Ų12152%0.51967%0.666SS.*Hα-helixtrans-84-17.5-176-125-41.3000113.8T12 S18T12-D15 PolarHBondContact O-N 3.12Å; D15-S18 PolarHBondContact O-OG 3.36Å
16M45.6Very low47.2Very low140 Ų140115.1 Ų115.169%0.6965%0.645SS**Hα-helixtrans-80.2-25.3177.3-68.6-171160.600112.6V20M16-V20 VanDerWaalsContact O-CG2 3.22Å; M16-V20 WeakPolarHBondContact O-CG2 3.06Å; M16-V20 PolarHBondContact O-N 3.49Å
17K46Very low47.8Very low158 Ų158117.7 Ų117.769%0.68765%0.646SS**Hα-helixtrans-79.6-22.6179.4-93.9166.1170.8174.20113.8T21K17-T21 WeakPolarHBondContact O-CG2 3.49Å; K17-T21 PolarHBondContact O-N 3.45Å; K17-T21 PolarHBondContact O-OG1 3.21Å
18S47.6Very low47.8Very low59 Ų59118 Ų11841%0.41364%0.637SS.*Hα-helixtrans-76.6-38.9174.461.80000112D15 T21 S22D15-S18 PolarHBondContact O-OG 3.36Å; S18-T21 PolarHBondContact O-OG1 3.11Å; S18-S22 PolarHBondContact O-N 2.82Å; S18-S22 VanDerWaalsContact O-N 3.16Å
19K44.2Very low47.9Very low150 Ų150118.8 Ų118.865%0.65263%0.629SS**Hα-helixtrans-70.1-34.2176.3-80.6176.6176.1176.70113.4N23K19-N23 PolarHBondContact O-N 3.26Å
20V44.2Very low47.9Very low101 Ų101116.5 Ų116.561%0.61262%0.617SS**Hα-helixtrans-73-30.2178.7174.90000112.1M16M16-V20 VanDerWaalsContact O-CG2 3.22Å; M16-V20 WeakPolarHBondContact O-CG2 3.06Å; M16-V20 PolarHBondContact O-N 3.49Å
21T45Very low48.4Very low87 Ų87118.2 Ų118.253%0.53461%0.606SS.*Hα-helixtrans-79-40.1176.649.40000112.3K17 S18 N23 K24 V25K17-T21 WeakPolarHBondContact O-CG2 3.49Å; K17-T21 PolarHBondContact O-N 3.45Å; K17-T21 PolarHBondContact O-OG1 3.21Å; S18-T21 PolarHBondContact O-OG1 3.11Å; T21-N23 PolarHBondContact O-N 3.09Å; T21-K24 PolarHBondContact O-N 3.16Å; T21-V25 WeakPolarHBondContact O-CG2 3.32Å; T21-V25 PolarHBondContact O-N 3.47Å
22S46.2Very low48.3Very low63 Ų63118.5 Ų118.544%0.44160%0.599SS.*Hα-helixtrans-57.8-44.3173.7173.10000112.8S18 K24 V25 N26S18-S22 PolarHBondContact O-N 2.82Å; S18-S22 VanDerWaalsContact O-N 3.16Å; S22-K24 VanDerWaalsContact C-N 3.29Å; S22-K24 PolarHBondContact O-N 3.31Å; S22-V25 PolarHBondContact O-N 3.12Å; S22-N26 PolarHBondContact O-N 3.22Å; S22-N26 PolarHBondContact O-ND2 3.39Å
23N47.1Very low48.5Very low115 Ų115117.5 Ų117.562%0.61559%0.589SS**Hα-helixtrans-67.7-26.1178.2-82.6-24.4000113.8K19 T21 K27K19-N23 PolarHBondContact O-N 3.26Å; T21-N23 PolarHBondContact O-N 3.09Å; N23-K27 PolarHBondContact O-N 3.09Å
24K49.8Very low48.6Very low168 Ų168118.2 Ų118.273%0.7358%0.582SS**Hα-helixtrans-79.6-33.4178.8-159.2167.3-176.3174.70112.2T21 S22 C28T21-K24 PolarHBondContact O-N 3.16Å; S22-K24 VanDerWaalsContact C-N 3.29Å; S22-K24 PolarHBondContact O-N 3.31Å; K24-C28 PolarHBondContact O-N 3.47Å
25V50.9Low48.5Very low90 Ų90113.6 Ų113.655%0.54556%0.563SS.*Hα-helixtrans-71.9-42176.3178.50000111.3T21 S22 K27 C28 R29T21-V25 WeakPolarHBondContact O-CG2 3.32Å; T21-V25 PolarHBondContact O-N 3.47Å; S22-V25 PolarHBondContact O-N 3.12Å; V25-K27 VanDerWaalsContact C-N 3.28Å; V25-K27 PolarHBondContact O-N 2.83Å; V25-C28 PolarHBondContact O-N 3.15Å; V25-C28 VanDerWaalsContact O-N 3.12Å; V25-R29 PolarHBondContact O-N 3.29Å; V25-R29 VanDerWaalsContact O-N 3.1Å
26N49.9Very low48.6Very low84 Ų84111.7 Ų111.745%0.44956%0.557SS.*Hα-helixtrans-62.1-34.5175.5-71.1-25.6000112.7S22 C28 L30S22-N26 PolarHBondContact O-N 3.22Å; S22-N26 PolarHBondContact O-ND2 3.39Å; N26-C28 VanDerWaalsContact C-N 3.35Å; N26-L30 PolarHBondContact O-N 2.92Å; N26-L30 VanDerWaalsContact O-N 3.09Å
27K52Low48.7Very low169 Ų169108.8 Ų108.874%0.73554%0.544SS*.Hα-helixtrans-70.3-29.3176.3-158.9169.6-173172.30112.8N23 V25 K31N23-K27 PolarHBondContact O-N 3.09Å; V25-K27 VanDerWaalsContact C-N 3.28Å; V25-K27 PolarHBondContact O-N 2.83Å; K27-K31 PolarHBondContact O-N 2.85Å
28C44.9Very low48.6Very low74 Ų74108.7 Ų108.750%0.554%0.544SS..Hα-helixtrans-75.6-42176-1520000111.5K24 V25 N26 K31 Q32K24-C28 PolarHBondContact O-N 3.47Å; V25-C28 PolarHBondContact O-N 3.15Å; V25-C28 VanDerWaalsContact O-N 3.12Å; N26-C28 VanDerWaalsContact C-N 3.35Å; C28-K31 PolarHBondContact O-N 3.35Å; C28-Q32 PolarHBondContact O-N 3.41Å; C28-Q32 VanDerWaalsContact O-N 3.08Å
29R47.9Very low48.4Very low154 Ų154115 Ų11558%0.58156%0.559SS**Hα-helixtrans-64.6-42.5176.9-167.6168.5173.1159.7-2.8112.3V25 K31 Q32 I33V25-R29 PolarHBondContact O-N 3.29Å; V25-R29 VanDerWaalsContact O-N 3.1Å; R29-K31 VanDerWaalsContact C-N 3.27Å; R29-K31 PolarHBondContact O-N 3.14Å; R29-Q32 PolarHBondContact O-N 3.27Å; R29-I33 HydrophobicContact CG-CD1 4.24Å; R29-I33 WeakPolarHBondContact O-CD1 3.48Å; R29-I33 VanDerWaalsContact O-CG1 3.28Å; R29-I33 WeakPolarHBondContact O-CG1 3.2Å; R29-I33 PolarHBondContact O-N 2.86Å; R29-I33 VanDerWaalsContact O-N 3.11Å
30L53.3Low48.3Very low103 Ų103114 Ų11454%0.53956%0.556SS.*Hα-helixtrans-63.2-29.8173.2-106.778.1000113.3N26 R34N26-L30 PolarHBondContact O-N 2.92Å; N26-L30 VanDerWaalsContact O-N 3.09Å; L30-R34 WeakPolarHBondContact O-CB 3.48Å; L30-R34 PolarHBondContact O-N 3.13Å
31K55.3Low48.1Very low131 Ų131114.9 Ų114.957%0.5756%0.562SS**Hα-helixtrans-76-41.7179.2-152.6-178.7-179.1-162.90111.1K27 C28 R29 I33 R34 D35K27-K31 PolarHBondContact O-N 2.85Å; C28-K31 PolarHBondContact O-N 3.35Å; R29-K31 VanDerWaalsContact C-N 3.27Å; R29-K31 PolarHBondContact O-N 3.14Å; K31-I33 PolarHBondContact O-N 3.41Å; K31-R34 PolarHBondContact O-N 3.47Å; K31-D35 WeakPolarHBondContact O-CB 3.42Å; K31-D35 VanDerWaalsContact O-CG 3.24Å; K31-D35 PolarHBondContact O-N 2.97Å
32Q52.6Low47.7Very low128 Ų128117 Ų11760%0.59857%0.57SS**Hα-helixtrans-63.8-37.9174.7-72.8-179.3-12.100113.1C28 R29 D35 S36C28-Q32 PolarHBondContact O-N 3.41Å; C28-Q32 VanDerWaalsContact O-N 3.08Å; R29-Q32 PolarHBondContact O-N 3.27Å; Q32-D35 PolarHBondContact O-N 3.32Å; Q32-S36 WeakPolarHBondContact O-CB 3.48Å; Q32-S36 PolarHBondContact O-N 3.13Å; Q32-S36 PolarHBondContact O-OG 3.47Å
33I52Low47.1Very low80 Ų80121.5 Ų121.541%0.4159%0.588SS.*Hα-helixtrans-65.8-42.4173.9-64.9163.9000110.5R29 K31 D35 S36 N37R29-I33 HydrophobicContact CG-CD1 4.24Å; R29-I33 WeakPolarHBondContact O-CD1 3.48Å; R29-I33 VanDerWaalsContact O-CG1 3.28Å; R29-I33 WeakPolarHBondContact O-CG1 3.2Å; R29-I33 PolarHBondContact O-N 2.86Å; R29-I33 VanDerWaalsContact O-N 3.11Å; K31-I33 PolarHBondContact O-N 3.41Å; I33-D35 PolarHBondContact O-N 2.89Å; I33-S36 PolarHBondContact O-N 3.23Å; I33-N37 WeakPolarHBondContact O-CB 3.13Å; I33-N37 PolarHBondContact O-N 3.32Å; I33-N37 PolarHBondContact O-ND2 2.93Å
34R50.6Low46.5Very low163 Ų163122.9 Ų122.962%0.61560%0.596SS**Hα-helixtrans-67.2-36.1178.4-151.3-177.2-75.8125.4-9112.2L30 K31 K38L30-R34 WeakPolarHBondContact O-CB 3.48Å; L30-R34 PolarHBondContact O-N 3.13Å; K31-R34 PolarHBondContact O-N 3.47Å; R34-K38 WeakPolarHBondContact O-CB 3.24Å; R34-K38 PolarHBondContact O-N 3.16Å
35D48.2Very low45.5Very low71 Ų71124.8 Ų124.838%0.3860%0.6SS.*Hα-helixtrans-76-23177-68-30.4000113.4K31 Q32 I33 R39K31-D35 WeakPolarHBondContact O-CB 3.42Å; K31-D35 VanDerWaalsContact O-CG 3.24Å; K31-D35 PolarHBondContact O-N 2.97Å; Q32-D35 PolarHBondContact O-N 3.32Å; I33-D35 PolarHBondContact O-N 2.89Å; D35-R39 PolarHBondContact O-NE 2.85Å
36S47.9Very low44.7Very low58 Ų58123 Ų12341%0.40660%0.6SS.*Hα-helixtrans-79.6-44.7171.9-56.80000110.8Q32 I33 K38 R39 E40Q32-S36 WeakPolarHBondContact O-CB 3.48Å; Q32-S36 PolarHBondContact O-N 3.13Å; Q32-S36 PolarHBondContact O-OG 3.47Å; I33-S36 PolarHBondContact O-N 3.23Å; S36-K38 VanDerWaalsContact C-N 3.28Å; S36-K38 PolarHBondContact O-N 2.81Å; S36-R39 PolarHBondContact O-N 2.82Å; S36-E40 PolarHBondContact O-N 3.25Å
37N47.3Very low43.7Very low79 Ų79126.5 Ų126.542%0.42262%0.618SS.*Hα-helixtrans-62-32.4172.6-75.9-24.3000112.6I33 R39 E40 V41I33-N37 WeakPolarHBondContact O-CB 3.13Å; I33-N37 PolarHBondContact O-N 3.32Å; I33-N37 PolarHBondContact O-ND2 2.93Å; N37-R39 VanDerWaalsContact C-N 3.26Å; N37-R39 PolarHBondContact O-N 3.24Å; N37-E40 PolarHBondContact O-N 2.83Å; N37-V41 WeakPolarHBondContact O-CB 3.27Å; N37-V41 WeakPolarHBondContact O-CG2 3.36Å; N37-V41 PolarHBondContact O-N 2.91Å
38K44.5Very low42.9Very low156 Ų156126.1 Ų126.168%0.67862%0.624SS**Hα-helixtrans-68.9-22.7174.2-164.4175.6-177.2-174.70113.3R34 S36R34-K38 WeakPolarHBondContact O-CB 3.24Å; R34-K38 PolarHBondContact O-N 3.16Å; S36-K38 VanDerWaalsContact C-N 3.28Å; S36-K38 PolarHBondContact O-N 2.81Å
39R42.6Very low42.3Very low192 Ų192131.8 Ų131.873%0.72564%0.643SS**Hα-helixtrans-87.4-29.5174.3-79.7-178.8-105.7-176.3-8.4112.6D35 S36 N37D35-R39 PolarHBondContact O-NE 2.85Å; S36-R39 PolarHBondContact O-N 2.82Å; N37-R39 VanDerWaalsContact C-N 3.26Å; N37-R39 PolarHBondContact O-N 3.24Å
40E42.6Very low41.9Very low128 Ų128129.3 Ų129.360%0.59865%0.65SS**Hα-helixtrans-85.4-22178.3-65.9-171.5171.300113.7S36 N37 N42S36-E40 PolarHBondContact O-N 3.25Å; N37-E40 PolarHBondContact O-N 2.83Å; E40-N42 PolarHBondContact O-N 2.94Å
41V40.1Very low41Very low120 Ų120133.3 Ų133.373%0.72766%0.663SS**THydrogen-bonded Turntrans-80.53.7177.8177.70000113.2N37N37-V41 WeakPolarHBondContact O-CB 3.27Å; N37-V41 WeakPolarHBondContact O-CG2 3.36Å; N37-V41 PolarHBondContact O-N 2.91Å
42N35.1Very low40Very low130 Ų130134.8 Ų134.870%0.69568%0.676SS**THydrogen-bonded Turntrans-113.516.2176.7-92-39.9000114.8E40 N44E40-N42 PolarHBondContact O-N 2.94Å; N42-N44 VanDerWaalsContact C-N 3.34Å; N42-N44 PolarHBondContact O-N 3.12Å
43L35.3Very low39Very low159 Ų159137.3 Ų137.383%0.83269%0.687SS**SBendtrans-91.482163.6-68.5176.2000108.6
44N34.4Very low38.4Very low144 Ų144140.4 Ų140.477%0.7770%0.704SS**  trans-65.1145.7-175.3-164.44.6000112.3N42N42-N44 VanDerWaalsContact C-N 3.34Å; N42-N44 PolarHBondContact O-N 3.12Å
45Y28.4Very low37.4Very low208 Ų208142.3 Ų142.382%0.81672%0.717SS**  trans-43.3130.8162-83.3-122.5000110.7
46G33.2Very low36.9Very low53 Ų53144 Ų14455%0.54673%0.734SS.*  trans-148.990170.100000108.5
47D30.7Very low36.5Very low157 Ų157147.4 Ų147.484%0.8475%0.753SS**  trans46.383.4136.2-47.8-25.2000118.4
48N34.5Very low35.9Very low160 Ų160149.1 Ų149.186%0.85677%0.768SS**  trans-123.642.9159.3-56.7-19000111.4S50N48-S50 VanDerWaalsContact C-N 3.35Å; N48-S50 PolarHBondContact O-N 3.45Å
49E32.6Very low35.5Very low193 Ų193148.9 Ų148.990%0.90277%0.774SS**  trans-78.488.8155.5-75.7-148.7129.800107.9
50S39.1Very low35.3Very low103 Ų103146.3 Ų146.372%0.7277%0.774SS**  trans-168.9112.1164.5-84.60000112N48N48-S50 VanDerWaalsContact C-N 3.35Å; N48-S50 PolarHBondContact O-N 3.45Å
51K33.3Very low35.1Very low186 Ų186150.6 Ų150.681%0.80979%0.785SS**  trans69.389.9150.3-60.4175.5176.9178.50118.2
52L35.7Very low34.9Very low163 Ų163151.4 Ų151.485%0.85379%0.785SS**  trans-13586.4135.2-76.9178.7000109.7L54L52-L54 PolarHBondContact O-N 3.4Å
53H31.9Very low35.2Very low180 Ų180153 Ų15383%0.83379%0.792SS**  trans-69.1101.8157.7-80.2-150.8000107.8
54L37.8Very low35.2Very low146 Ų146150.7 Ų150.776%0.76478%0.784SS**  trans-116.9107.4155-99.487.8000109.3L52 S56L52-L54 PolarHBondContact O-N 3.4Å; L54-S56 PolarHBondContact O-N 2.87Å
55K30Very low35.4Very low203 Ų203150.3 Ų150.388%0.88378%0.783SS**  trans-62.3121167.4-68.1163.9172.1179.80108.8
56S38.5Very low36Very low105 Ų105151 Ų15173%0.73479%0.785SS**  trans-147.394.4155.113.50000108.4L54L54-S56 PolarHBondContact O-N 2.87Å
57T39.2Very low36.3Very low131 Ų131153.9 Ų153.980%0.80479%0.788SS**  trans5136.2155.847.80000120
58P34.5Very low36.5Very low115 Ų115152.8 Ų152.875%0.74778%0.782SS**  trans-89.9142.4171.236.9-30.1000111.5
59N36.4Very low36.8Very low150 Ų150153.2 Ų153.280%0.80279%0.785SS**  trans177.7134160-93.7-46.5000105.4
60L38.8Very low37Very low139 Ų139153 Ų15373%0.72878%0.781SS**  cis-163.6130.827.2-140.667.7000104.3
61R37.3Very low37Very low217 Ų217152.4 Ų152.482%0.81977%0.774SS**  35.2129.7104.4-62.8-177.1-166.4171.22.7113.5
62D37.3Very low37.2Very low138 Ų138149.3 Ų149.374%0.73877%0.767SS**  cis-153.6159.917.3-74.4-47.9000105.1
63I40.1Very low37.3Very low164 Ų164149.1 Ų149.184%0.84177%0.766SS**  -176.1134.383.3-77.9158.6000106.6
64T36.7Very low37.5Very low109 Ų109147.1 Ų147.167%0.66976%0.762SS**  trans-76.5172.6177.546.30000113.2
65D37.3Very low37.7Very low137 Ų137148 Ų14873%0.73377%0.768SS**  trans89.4100152-48.3-43.7000118.9
66Y41Very low37.8Very low221 Ų221145.1 Ų145.187%0.86776%0.76SS**  161150.2115.7-115.1-101.1000109.5
67D38.9Very low37.8Very low115 Ų115148 Ų14862%0.61577%0.766SS**  cis-164.5160.7-37.9-162.1-6.5000104.3
68N36Very low37.4Very low133 Ų133151 Ų15171%0.71177%0.769SS**  trans-64.1144.8-170.3-60.2-82.1000113.6
69N39.8Very low37.6Very low170 Ų170151.1 Ų151.191%0.90977%0.767SS**  trans-168.4106.7133.4-93.1-41.6000112.3
70K37.2Very low37.5Very low188 Ų188151.4 Ų151.482%0.81777%0.769SS**  trans-95.3174.4156.4-140.6-164.5163.7178.70106.1
71P40.4Very low37.7Very low90 Ų90151.3 Ų151.358%0.58477%0.767SS**  cis-149.2-172.4641.4-18.8000118.1
72N36Very low37.9Very low122 Ų122147 Ų14765%0.65276%0.761SS**  trans80.5116.3153.4-67.9-13000118.2
73N38.8Very low38.1Very low158 Ų158145.6 Ų145.685%0.84576%0.761SS**  -167138.699.9-82.2-29.5000112
74N35Very low38.7Very low138 Ų138146.5 Ų146.574%0.73876%0.759SS**  trans-63142.3-179.6-58.2-40.7000111.4
75N41.6Very low39.6Very low165 Ų165149.6 Ų149.688%0.88276%0.764SS**  -164.9128.9127.8-90.8-25.9000111.7
76I32.3Very low40.1Very low142 Ų142147 Ų14773%0.72875%0.754SS**  trans-78.9124.6-174.5-70.9154.5000109.2
77L40.1Very low40.8Very low165 Ų165142.7 Ų142.786%0.86474%0.741SS**  trans-142106.3153.7-95.2127.3000109.1T79L77-T79 PolarHBondContact O-N 3.21Å
78K29.8Very low41.4Very low196 Ų196145.2 Ų145.285%0.85274%0.742SS**  trans-74.7114.6176-68.5170.9175.8176.70109
79T38.8Very low42.2Very low116 Ų116140.9 Ų140.971%0.71272%0.719SS**  trans-120.2126.916055.10000110.3L77 I81L77-T79 PolarHBondContact O-N 3.21Å; T79-I81 PolarHBondContact O-N 3.32Å
80N34.6Very low42.3Very low156 Ų156141.2 Ų141.283%0.83471%0.713SS**  trans-67.9109.7-175.9179.9-27.2000110.9
81I42.3Very low42.8Very low137 Ų137135.9 Ų135.970%0.70370%0.696SS**  trans-95.8107.9174.7-61.2166.3000107.9T79 S83T79-I81 PolarHBondContact O-N 3.32Å; I81-S83 PolarHBondContact O-N 3.23Å
82N42.8Very low42.8Very low128 Ų128137.2 Ų137.268%0.68471%0.707SS**  trans-78.1100.1169.3-165.8-3.8000108.5K84N82-K84 PolarHBondContact O-N 3.35Å
83S41.3Very low42.8Very low107 Ų107135.9 Ų135.975%0.74871%0.713SS**  trans-59.787.5-177.8-52.60000112.6I81I81-S83 PolarHBondContact O-N 3.23Å
84K51.6Low42.7Very low184 Ų184132.5 Ų132.580%0.871%0.707SS**  trans-89112.6167.1-73.8-177.2179.41770109.1N82N82-K84 PolarHBondContact O-N 3.35Å
85K55.7Low42.9Very low174 Ų174131.2 Ų131.276%0.75771%0.709SS**PPolyproline II helixtrans-53143.1174.6-66.8176.3178.71800110.6H87K85-H87 PolarHBondContact O-N 2.79Å
86P49.2Very low42.9Very low82 Ų82133.2 Ų133.253%0.53271%0.71SS.*PPolyproline II helixtrans-63.5130.8177.726.6-33.6000110.4F269P86-F269 HydrophobicContact CB-CZ 4.05Å; P86-F269 HydrophobicContact CG-CZ 4.03Å
87H53.9Low43.4Very low130 Ų130133 Ų13360%0.60271%0.709SS**PPolyproline II helixtrans-82.8120.9175.8-127.3-92.6000109K85K85-H87 PolarHBondContact O-N 2.79Å
88R53.3Low43.5Very low168 Ų168130.1 Ų130.163%0.63469%0.694SS**PPolyproline II helixtrans-89.3121.4166.5-160.3176.8-174165.64.2107.2K254R88-K254 PolarHBondContact NH2-O 3.21Å
89I51.2Low44.2Very low42 Ų42128 Ų12822%0.21569%0.692CS.*PPolyproline II helixtrans-82.4125178.7-59.9-175.7000108.9L232 V233 W263I89-L232 HydrophobicContact CD1-CB 4.33Å; I89-L232 HydrophobicContact CD1-CD2 4.11Å; I89-V233 HydrophobicContact CD1-CB 4.47Å; I89-V233 HydrophobicContact CD1-CG2 3.9Å; I89-V233 HydrophobicContact CG1-CG2 4.15Å; I89-V233 HydrophobicContact CG2-CG2 4.4Å; I89-W263 HydrophobicContact CD1-CH2 3.56Å; I89-W263 HydrophobicContact CD1-CZ2 4.36Å; I89-W263 HydrophobicContact CD1-CZ3 4.44Å; I89-W263 HydrophobicContact CG1-CH2 4.46Å
90F42Very low44.7Very low178 Ų178129.7 Ų129.778%0.78169%0.691SS**  trans-90.8115.4166-64.8-88.8000107.9S92F90-S92 PolarHBondContact O-N 2.92Å
91T47.6Very low45.4Very low76 Ų76133 Ų13347%0.46669%0.692SS.*  trans-68.9115.3164.453.20000107.7A93 D253T91-A93 VanDerWaalsContact C-N 3.31Å; T91-A93 PolarHBondContact O-N 3.07Å; T91-D253 HydrophobicContact CG2-CB 4.27Å
92S41.6Very low45.5Very low118 Ų118132.5 Ų132.583%0.82570%0.698SS**  trans-67.990.2172.340.30000109.7F90 A94F90-S92 PolarHBondContact O-N 2.92Å; S92-A94 PolarHBondContact O-N 2.97Å
93A34.6Very low45.8Very low94 Ų94138.1 Ų138.178%0.77771%0.709SS**  trans-66.1123.3161.700000108T91T91-A93 VanDerWaalsContact C-N 3.31Å; T91-A93 PolarHBondContact O-N 3.07Å
94A36.7Very low46.2Very low87 Ų87139.1 Ų139.172%0.71971%0.711SS**  trans95.988.8174.400000117S92S92-A94 PolarHBondContact O-N 2.97Å
95S40.6Very low45.8Very low111 Ų111140.5 Ų140.578%0.77672%0.717SS**  trans-130.876132.5-76.80000108.4I97S95-I97 PolarHBondContact O-N 3.21Å
96K41Very low45.6Very low206 Ų206136.5 Ų136.590%0.89671%0.711SS**  trans-68.282.4156.6-76.9-179.6178176.40106.4N98K96-N98 PolarHBondContact O-N 3.49Å
97I43.5Very low45.6Very low137 Ų137140.8 Ų140.870%0.70373%0.729SS**  trans-71.788.7161.7-25.4173.8000104.8S95 L99S95-I97 PolarHBondContact O-N 3.21Å; I97-L99 HydrophobicContact CB-CD1 4.18Å; I97-L99 HydrophobicContact CG2-CD1 4.08Å; I97-L99 PolarHBondContact O-N 2.81Å
98N41.5Very low45.3Very low106 Ų106144.3 Ų144.357%0.56774%0.743SS**  trans-6795.3163.6-166.5-22.7000104.9K96 Q100K96-N98 PolarHBondContact O-N 3.49Å; N98-Q100 PolarHBondContact ND2-NE2 3.29Å; N98-Q100 PolarHBondContact O-N 2.88Å; N98-Q100 WeakPolarHBondContact OD1-CG 3.32Å; N98-Q100 PolarHBondContact OD1-N 3.27Å
99L45.4Very low45.3Very low152 Ų152145.5 Ų145.580%0.79675%0.753SS**  trans-67.569.7164.8-86.293.6000107.8I97 R101I97-L99 HydrophobicContact CB-CD1 4.18Å; I97-L99 HydrophobicContact CG2-CD1 4.08Å; I97-L99 PolarHBondContact O-N 2.81Å; L99-R101 VanDerWaalsContact C-N 3.33Å; L99-R101 PolarHBondContact O-N 3.28Å
100Q49.4Very low45.3Very low151 Ų151152.3 Ų152.371%0.70678%0.784SS**  trans-67.2101.3159-99.1148.8-5.600106.1N98N98-Q100 PolarHBondContact ND2-NE2 3.29Å; N98-Q100 PolarHBondContact O-N 2.88Å; N98-Q100 WeakPolarHBondContact OD1-CG 3.32Å; N98-Q100 PolarHBondContact OD1-N 3.27Å
101R48.6Very low45.3Very low226 Ų226155.7 Ų155.785%0.85379%0.791SS**  trans-39.3137.3167.1-87.5179.4176.4176.9-1.1109.7L99 R103L99-R101 VanDerWaalsContact C-N 3.33Å; L99-R101 PolarHBondContact O-N 3.28Å; R101-R103 PolarHBondContact O-N 3.32Å
102P43.7Very low45.4Very low125 Ų125156.9 Ų156.981%0.81280%0.803SS**  trans-59.6115178.921.5-28.2000109.4T104P102-T104 PolarHBondContact O-N 3.2Å
103R48.8Very low46.1Very low246 Ų246159.7 Ų159.793%0.92880%0.803SS**  trans-71.2116.9168.3-79.6-177.6139.8146.4-3.9107.8R101R101-R103 PolarHBondContact O-N 3.32Å
104T49.7Very low47Very low128 Ų128159.4 Ų159.479%0.78580%0.795SS**  trans-64.1142.417246.40000110.1P102 S106P102-T104 PolarHBondContact O-N 3.2Å; T104-S106 PolarHBondContact O-N 3.44Å
105K44.1Very low47.6Very low213 Ų213162.5 Ų162.593%0.92680%0.8SS**SBendtrans-82.798.2179.1-67.2176.3177.9176.50109.2
106S52.2Low48Very low91 Ų91162.9 Ų162.964%0.63680%0.8SS**  trans-176.480.8163.346.30000110.1T104T104-S106 PolarHBondContact O-N 3.44Å
107D49.1Very low48.3Very low171 Ų171163 Ų16391%0.91479%0.794SS**  trans-159.996.2144.1-95.4-40.4000109.8
108K46.6Very low48.9Very low204 Ų204162.3 Ų162.389%0.88780%0.798SS**  trans-111.593.1175.4176.8-178.5-177.4174.30106.6
109K52.4Low49.1Very low194 Ų194162 Ų16284%0.84380%0.8SS**  trans149.4125.9167.6-98169.2168.7177.80105
110Q52.2Low49.7Very low185 Ų185162.9 Ų162.986%0.86480%0.804SS**  cis-152.7134.939.4-62.4173.6-37.300108.7
111R41.4Very low49.5Very low249 Ų249160.1 Ų160.194%0.9480%0.801SS**  trans-127.3102.7166.3179.5176.6-176173.61.2107.8
112S50.9Low49.8Very low101 Ų101161.1 Ų161.171%0.70681%0.805SS**  trans-179.7116.2161.140.90000105.5
113Q56Low50.1Low177 Ų177160.3 Ų160.383%0.82780%0.8SS**  -175.6115.798.8-88.9173.82.900106.2
114S52.2Low49.9Very low88 Ų88155.9 Ų155.962%0.61579%0.793SS**  60.2116103.771.50000112.7
115N51.2Low49.8Very low152 Ų152154.9 Ų154.981%0.81379%0.791SS**  175.1173.172.5-98.6-29.8000111.5
116P48Very low49.9Very low119 Ų119150.2 Ų150.277%0.77378%0.78SS**  trans-102.7176.1-141.440-36.3000117.5
117R47.4Very low49.5Very low209 Ų209153.7 Ų153.779%0.78979%0.786SS**  trans-58.3163.4179.9-145.5179-162-102.65.1115
118P55.4Low49.3Very low121 Ų121150.5 Ų150.579%0.78678%0.778SS**  trans-126.2154.4140.425.1-7.2000114
119V46.3Very low49.3Very low99 Ų99145.5 Ų145.560%0.677%0.768SS**  trans-103.1138.4-178.9174.20000108.4
120I57.5Low49.3Very low172 Ų172144.2 Ų144.288%0.88277%0.765SS**  trans-136.6122.8158.3-60.9-179.5000109
121S46.2Very low48.9Very low92 Ų92143.8 Ų143.864%0.64376%0.761SS**  trans-98.2149.7177.3-45.20000110.2
122R55.2Low49Very low247 Ų247138.8 Ų138.893%0.93275%0.753SS**  trans-178.3149.5131.3-103.8167.3179.1-157.5-1113.7
123P50Low48.6Very low108 Ų108143.6 Ų143.670%0.70176%0.761SS**  trans-128-179.1-172.236.8-15.1000115.8
124I44.7Very low48.1Very low154 Ų154140.9 Ų140.979%0.7976%0.759SS**  trans81.5135.8154.3-43.4-179.2000119.3
125S45.9Very low47.7Very low106 Ų106141.9 Ų141.974%0.74176%0.761SS**  trans141.8131.9145.8-64.90000108.3
126V46.4Very low47.5Very low115 Ų115142.4 Ų142.470%0.69776%0.759SS**  cis-167.8150.930.1-170.40000110.5
127E44.2Very low47.1Very low165 Ų165143.2 Ų143.277%0.77176%0.756SS**  trans46.8126.7151.9-72.1163.791.600123.3
128S45.3Very low47.1Very low104 Ų104140.3 Ų140.373%0.72776%0.756SS**  63.1132.476-48.50000111.9
129S47.4Very low46.6Very low99 Ų99139.8 Ų139.869%0.69275%0.751SS**  cis-179.9149.91535.50000108.5
130Q51.1Low46.3Very low167 Ų167139.8 Ų139.878%0.7876%0.755SS**  trans76118.9141.5-70.6-178.120.900123.3
131F44.2Very low45.7Very low175 Ų175137.6 Ų137.677%0.76874%0.744SS**  75.8133.7129.1-83.9-85.2000124.3
132N44Very low45.7Very low145 Ų145140.3 Ų140.378%0.77575%0.747SS**  trans91.4116.1149.3-64.4-36.7000121
133K41.1Very low45.2Very low201 Ų201137.7 Ų137.787%0.87474%0.743SS**  trans-73.9152.3155.9-93.4175.3172.1178.50109.4
134P45.6Very low45Very low120 Ų120138 Ų13878%0.77974%0.743SS**  -147.2164.598.428.8-6.7000117
135T43.9Very low44.8Very low109 Ų109137.3 Ų137.367%0.66974%0.741SS**  trans-30.4145.7164.126.60000122
136Q47.5Very low44.8Very low163 Ų163139.5 Ų139.576%0.76274%0.744SS**  trans74.5120.1132.4-64.3172.15100121
137D40.7Very low44.9Very low136 Ų136141.8 Ų141.873%0.72775%0.751SS**  148.6112.1127.6-90.4-36.3000110.4
138L46.6Very low44.8Very low148 Ų148137.3 Ų137.378%0.77575%0.749SS**  79.3110.593.2-117.686000115
139T44.6Very low45.1Very low110 Ų110138.2 Ų138.268%0.67575%0.752SS**  trans78.3134.4137.3-14.30000121.4
140S41.1Very low45.2Very low100 Ų100141.7 Ų141.770%0.69976%0.757SS**  trans73.7141.6152-63.50000117
141L44.3Very low45.1Very low125 Ų125142.6 Ų142.665%0.65476%0.758SS**  cis-171.6139.5-6.8-104.3174.7000103
142Q45.5Very low45.7Very low149 Ų149142 Ų14270%0.69676%0.76SS**  trans67136.6147.9-55167.15.300118.2
143F45.4Very low45.6Very low192 Ų192141.4 Ų141.484%0.84276%0.757SS**  trans168105133.8-81.4-61.5000110.8
144V45.7Very low45.8Very low116 Ų116143.5 Ų143.570%0.70376%0.759SS**  trans9.9131.2144.2-100.10000122.6
145N40.8Very low46.1Very low139 Ų139145.8 Ų145.874%0.74376%0.759SS**  trans46127.6131.8-61.4-10.2000122.7
146N45.5Very low46.2Very low152 Ų152147.5 Ų147.581%0.81377%0.77SS**  trans-164.1110.7142.4-87.2-41.4000108.2
147I49.4Very low46.2Very low163 Ų163147.4 Ų147.484%0.83677%0.774SS**  56.9118.283.8-55.8174.7000114.2
148G41.5Very low46.4Very low71 Ų71146.2 Ų146.273%0.73278%0.776SS**  trans152.3113.215200000116.7
149P52.3Low46.6Very low122 Ų122145 Ų14579%0.79278%0.777SS**  trans-105.6156.2168.636.9-27000113.1
150H47.8Very low46.4Very low172 Ų172146.7 Ų146.780%0.79678%0.781SS**  trans-146.5112.5169.1-105.7-98.3000108.7
151K49.3Very low46.7Very low187 Ų187150.2 Ų150.281%0.81379%0.791SS**  42.112393.4-65.4-174.2-179.9179.30112.2
152M58.2Low46.4Very low163 Ų163150.1 Ų150.180%0.80380%0.796SS**  177.9131.366.844.4-172.85600110.2
153N41.3Very low46.6Very low132 Ų132148.9 Ų148.971%0.70680%0.804SS**  60.5114.1103.1-163.1-0.1000117.4
154R45.8Very low46.9Very low245 Ų245148.4 Ų148.493%0.92580%0.804SS**  -168124.7124.9-103.7171.5-176-165.31113.2
155Q50.7Low46.9Very low167 Ų167148.5 Ų148.578%0.7881%0.805SS**  trans-76.5143.8171.2-60160.70.100110.1
156T45.6Very low47.1Very low146 Ų146147.7 Ų147.790%0.89681%0.807SS**  trans-146.4132150.5-51.70000110.1
157L47.5Very low47.1Very low161 Ų161148.9 Ų148.984%0.84381%0.808SS**  trans-77161.1-172.5-66.8126.1000114
158S46.4Very low47Very low111 Ų111148.7 Ų148.778%0.77681%0.808SS**  trans-60.6174177-380000114.4
159P50.6Low47.2Very low122 Ų122154.6 Ų154.679%0.79281%0.814SS**  -148.9151.485.434.7-14.3000117.9
160L40.4Very low46.9Very low145 Ų145157 Ų15776%0.75982%0.819SS**  trans-4121.5141.6-170.671.1000118
161L45.8Very low46.9Very low174 Ų174153.6 Ų153.691%0.91182%0.815SS**  trans-138108.1150.1-81.9173.8000109.9
162T39.2Very low46.6Very low124 Ų124152.6 Ų152.676%0.76182%0.818SS**  trans-69.7127.7165.9-10.10000108.9
163S49.6Very low46.3Very low123 Ų123150 Ų15086%0.8682%0.817SS**  trans-141.4132.8160.5-171.80000110.2
164Q50.6Low47Very low182 Ų182154.7 Ų154.785%0.8582%0.824SS**  trans-76.7153.6-163.1-65.6162.45.200112.9
165V47.6Very low47.3Very low118 Ų118149.1 Ų149.172%0.71582%0.82SS**  trans-66.8152.4179-179.20000111.1Q167V165-Q167 HydrophobicContact CG1-CG 3.87Å
166P44.9Very low47.4Very low121 Ų121146.6 Ų146.679%0.78682%0.816SS**  -127.8132.9121.70.820.2000113.1N168P166-N168 PolarHBondContact O-N 3.25Å
167Q44.1Very low47.7Very low177 Ų177145 Ų14583%0.82781%0.81SS**  trans-70.4112.7174.4-64.9-172.5-16.800109.2V165 K169V165-Q167 HydrophobicContact CG1-CG 3.87Å; Q167-K169 PolarHBondContact O-N 3.38Å
168N47.9Very low47.6Very low159 Ų159145.1 Ų145.185%0.8581%0.809SS**  trans-77.2106.7166.9-97.2-2.8000109.3P166 L170P166-N168 PolarHBondContact O-N 3.25Å; N168-L170 PolarHBondContact O-N 3.19Å
169K45Very low47.9Very low196 Ų196146.3 Ų146.385%0.85281%0.811SS**  trans-56.6115.2163.9-73-177.1177.1-174.10108.7Q167 S171Q167-K169 PolarHBondContact O-N 3.38Å; K169-S171 VanDerWaalsContact C-N 3.35Å; K169-S171 PolarHBondContact O-N 3.47Å
170L46.1Very low47.3Very low172 Ų172144.2 Ų144.290%0.90181%0.811SS**  trans-7887.8171.6-151.376.4000108N168 N172N168-L170 PolarHBondContact O-N 3.19Å; L170-N172 PolarHBondContact O-N 3.27Å
171S48.9Very low48Very low100 Ų100142.8 Ų142.870%0.69981%0.805SS**  trans-75.1119.3167.453.10000109.1K169 S173K169-S171 VanDerWaalsContact C-N 3.35Å; K169-S171 PolarHBondContact O-N 3.47Å; S171-S173 PolarHBondContact O-N 3.48Å
172N42.3Very low48.1Very low166 Ų166139.1 Ų139.189%0.88880%0.8SS**  trans-54.796.7170-88.8-12.4000110.9L170L170-N172 PolarHBondContact O-N 3.27Å
173S52Low48.5Very low110 Ų110141.9 Ų141.977%0.76980%0.804SS**PPolyproline II helixtrans-94.7116.6165.553.50000109.3S171S171-S173 PolarHBondContact O-N 3.48Å
174R56.4Low48.3Very low229 Ų229142.9 Ų142.986%0.86480%0.804SS**PPolyproline II helixtrans-52.5141.6172.9-73.5175.9172.3-151.3-2110.8V176R174-V176 PolarHBondContact O-N 3.21Å
175P51.6Low47.5Very low128 Ų128135.9 Ų135.983%0.83178%0.781SS**PPolyproline II helixtrans-71123171.428.8-30.8000109.6
176V53Low47.2Very low115 Ų115138 Ų13870%0.69779%0.787SS**PPolyproline II helixtrans-97121.8168.3-177.50000107.4R174 M178R174-V176 PolarHBondContact O-N 3.21Å; V176-M178 HydrophobicContact CG1-CE 3.42Å; V176-M178 VanDerWaalsContact CG1-CE 3.42Å
177S52.8Low46.7Very low112 Ų112142.6 Ų142.678%0.78379%0.789SS**PPolyproline II helixtrans-85.2123.7172.2-66.80000109.6
178M44.4Very low46.9Very low164 Ų164140.2 Ų140.281%0.80879%0.786SS**PPolyproline II helixtrans-96.6124.9171.5-68.5-75.5106.400109V176V176-M178 HydrophobicContact CG1-CE 3.42Å; V176-M178 VanDerWaalsContact CG1-CE 3.42Å
179T52.2Low46.9Very low136 Ų136141.8 Ų141.883%0.83479%0.788SS**  trans-123.5117.8162.9-49.90000107.2
180G38Very low47.4Very low77 Ų77141.6 Ų141.679%0.79479%0.788SS**  trans-69.9134.7176.400000111.1
181N55Low47.7Very low115 Ų115139 Ų13962%0.61578%0.781SS**  trans-105.7117.7170.554.8-13.4000109.1
182A48.3Very low48.1Very low98 Ų98140.8 Ų140.881%0.8179%0.788SS**  trans-83.4129.4154.600000106.4
183E47.5Very low48.7Very low182 Ų182141.3 Ų141.385%0.8579%0.785SS**SBendtrans84.485.5165.8-139.1170.6155.900116.8G185E183-G185 PolarHBondContact O-N 3.08Å
184V45.6Very low48.5Very low143 Ų143141 Ų14187%0.86778%0.783SS**  trans31.878.1150.8-158.70000116.9
185G34.7Very low48.3Very low35 Ų35135.6 Ų135.636%0.36178%0.775SS.*  trans-124.2110.1168.400000110.7E183 W187E183-G185 PolarHBondContact O-N 3.08Å; G185-W187 PolarHBondContact O-N 3.11Å
186I40Very low48.4Very low163 Ų163136.5 Ų136.584%0.83677%0.768SS**  trans-72.1105.5171.9-65.6155.7000107.2
187W35.9Very low48.2Very low218 Ų218137.4 Ų137.483%0.82678%0.776SS**  trans-96.6104174.6-63.391.1000108.9G185 E189G185-W187 PolarHBondContact O-N 3.11Å; W187-E189 PolarHBondContact O-N 2.81Å
188T47.7Very low48.3Very low127 Ų127135.1 Ų135.178%0.77977%0.77SS**  trans-71.4115.3166.115.60000108.9K190T188-K190 PolarHBondContact O-N 3.04Å; T188-K190 VanDerWaalsContact O-N 3.1Å
189E46.5Very low48.7Very low191 Ų191131.7 Ų131.789%0.89376%0.762SS**  trans-62.1110175.2-67.8-171.1156.600109.8W187W187-E189 PolarHBondContact O-N 2.81Å
190K56.5Low49.1Very low192 Ų192130.8 Ų130.884%0.83575%0.747SS**  trans-75.3131.4163.6-67.1-174179-178.80107.9T188 V192T188-K190 PolarHBondContact O-N 3.04Å; T188-K190 VanDerWaalsContact O-N 3.1Å; K190-V192 PolarHBondContact O-N 2.89Å
191P52.6Low50.6Low119 Ų119130.5 Ų130.577%0.77373%0.73SS**  trans-55.9129.6174.8-2030.5000109.6E193P191-E193 PolarHBondContact O-N 3.34Å
192V56.3Low51.4Low137 Ų137131.4 Ų131.483%0.8373%0.733SS**  trans-61.9103171.9169.60000107.7K190 S194K190-V192 PolarHBondContact O-N 2.89Å; V192-S194 PolarHBondContact O-N 3.01Å
193E55.4Low52.4Low177 Ų177132.4 Ų132.483%0.82772%0.724SS**  trans-57.5131.3169-87.2175.8153.900109.4P191 V195P191-E193 PolarHBondContact O-N 3.34Å; E193-V195 PolarHBondContact O-N 3.19Å; E193-V195 VanDerWaalsContact O-N 3.08Å
194S47.3Very low53.2Low103 Ų103126.9 Ų126.972%0.7270%0.7SS**  trans-47.7109.1-173.758.10000112.9V192 Q196V192-S194 PolarHBondContact O-N 3.01Å; S194-Q196 PolarHBondContact O-N 3.38Å
195V53.1Low54Low116 Ų116125.2 Ų125.270%0.70368%0.683SS**  trans-77.1115.2165.5-179.40000107.8E193E193-V195 PolarHBondContact O-N 3.19Å; E193-V195 VanDerWaalsContact O-N 3.08Å
196Q54.3Low55.3Low147 Ų147129 Ų12969%0.68769%0.694SS**  trans-51.2144176.1-66.5-73.1-21.700111.8S194 G198S194-Q196 PolarHBondContact O-N 3.38Å; Q196-G198 VanDerWaalsContact C-N 3.32Å; Q196-G198 PolarHBondContact O-N 3.39Å
197P47.7Very low56.4Low133 Ų133125.9 Ų125.986%0.86468%0.677SS**THydrogen-bonded Turntrans-74.483.5-17931.7-32.3000109.8
198G55.3Low57.4Low64 Ų64120.7 Ų120.766%0.6666%0.662SS**THydrogen-bonded Turntrans-161.6-4-178.800000115.7Q196 K200Q196-G198 VanDerWaalsContact C-N 3.32Å; Q196-G198 PolarHBondContact O-N 3.39Å; G198-K200 PolarHBondContact O-N 3.02Å
199S53.7Low57.7Low92 Ų92118.1 Ų118.164%0.64365%0.649SS**  trans-78.288.6175.443.50000110.1T201S199-T201 PolarHBondContact O-N 2.83Å
200K60.6Low58.3Low118 Ų118113.5 Ų113.551%0.51363%0.63SS.*  trans-54.2113.4168.9-58.7-174.9177.8-1610108.1G198 N204 E208G198-K200 PolarHBondContact O-N 3.02Å; K200-N204 HydrophobicContact CB-CB 4.47Å; K200-E208 IonicContact NZ-OE1 3.82Å; K200-E208 IonicContact NZ-OE2 2.73Å; K200-E208 PolarHBondContact NZ-OE2 2.91Å
201T69.7Low58.3Low70 Ų70108.4 Ų108.443%0.42961%0.611SS.*  trans-58.5153.2172.254.40000108.9S199 I203 N204 Q205S199-T201 PolarHBondContact O-N 2.83Å; T201-I203 PolarHBondContact O-N 2.82Å; T201-N204 WeakPolarHBondContact O-CA 3.24Å; T201-N204 PolarHBondContact O-N 3.39Å; T201-N204 WeakPolarHBondContact OG1-CB 3.49Å; T201-N204 PolarHBondContact OG1-N 3.15Å; T201-N204 VanDerWaalsContact OG1-N 3.13Å; T201-N204 PolarHBondContact OG1-ND2 2.85Å; T201-N204 PolarHBondContact OG1-OD1 3.44Å; T201-Q205 PolarHBondContact O-N 3.48Å
202I70.4Confident58.4Low135 Ų135108.2 Ų108.269%0.69260%0.604SS**Hα-helixtrans-51.7-34172.9-63.5169.2000110Q205 L206I202-Q205 PolarHBondContact O-N 2.95Å; I202-L206 HydrophobicContact CG2-CD1 3.87Å; I202-L206 HydrophobicContact CG2-CG 4.27Å; I202-L206 WeakPolarHBondContact O-CB 3.12Å; I202-L206 WeakPolarHBondContact O-CG 3.48Å; I202-L206 PolarHBondContact O-N 3.01Å
203I69.7Low58.7Low119 Ų119104.8 Ų104.861%0.6159%0.586SS**Hα-helixtrans-62.5-47.5174.7-60.7164000111.6T201 Q205 L206 M207T201-I203 PolarHBondContact O-N 2.82Å; I203-Q205 VanDerWaalsContact C-N 3.32Å; I203-Q205 PolarHBondContact O-N 3.45Å; I203-L206 PolarHBondContact O-N 3.31Å; I203-M207 HydrophobicContact CG2-CE 3.61Å; I203-M207 WeakPolarHBondContact O-CE 3.38Å; I203-M207 WeakPolarHBondContact O-CG 3.14Å; I203-M207 PolarHBondContact O-N 3.09Å
204N64.3Low59.5Low65 Ų6599.5 Ų99.535%0.34856%0.563SS.*Hα-helixtrans-65.6-35.6176.5-69-0.1000112.2K200 T201 M207 E208K200-N204 HydrophobicContact CB-CB 4.47Å; T201-N204 WeakPolarHBondContact O-CA 3.24Å; T201-N204 PolarHBondContact O-N 3.39Å; T201-N204 WeakPolarHBondContact OG1-CB 3.49Å; T201-N204 PolarHBondContact OG1-N 3.15Å; T201-N204 VanDerWaalsContact OG1-N 3.13Å; T201-N204 PolarHBondContact OG1-ND2 2.85Å; T201-N204 PolarHBondContact OG1-OD1 3.44Å; N204-M207 HydrophobicContact CB-CE 4.47Å; N204-M207 HydrophobicContact CB-SD 4.4Å; N204-M207 WeakPolarHBondContact O-CG 3.18Å; N204-M207 WeakPolarHBondContact OD1-CE 3.5Å; N204-E208 WeakPolarHBondContact O-CB 3.11Å; N204-E208 VanDerWaalsContact O-CG 3.26Å; N204-E208 WeakPolarHBondContact O-CG 3.38Å; N204-E208 PolarHBondContact O-N 2.97Å; N204-E208 VanDerWaalsContact O-N 3.07Å
205Q62.7Low61.1Low108 Ų10898.5 Ų98.551%0.50555%0.547SS..Hα-helixtrans-70.4-34.5175.9-164.1151.925.500112.2T201 I202 I203 C209T201-Q205 PolarHBondContact O-N 3.48Å; I202-Q205 PolarHBondContact O-N 2.95Å; I203-Q205 VanDerWaalsContact C-N 3.32Å; I203-Q205 PolarHBondContact O-N 3.45Å; Q205-C209 PolarHBondContact O-N 3.34Å; Q205-C209 VanDerWaalsContact O-N 3.12Å; Q205-C209 PolarHBondContact O-SG 2.96Å
206L62.7Low62.9Low116 Ų11695.6 Ų95.661%0.60753%0.527SS*.Hα-helixtrans-73.2-32.5175.9-71.3169.6000113.2I202 I203I202-L206 HydrophobicContact CG2-CD1 3.87Å; I202-L206 HydrophobicContact CG2-CG 4.27Å; I202-L206 WeakPolarHBondContact O-CB 3.12Å; I202-L206 WeakPolarHBondContact O-CG 3.48Å; I202-L206 PolarHBondContact O-N 3.01Å; I203-L206 PolarHBondContact O-N 3.31Å
207M62.2Low64.7Low97 Ų9788.7 Ų88.748%0.47850%0.495SS..Hα-helixtrans-76.2-28.417464.1-179.772.900112.8I203 N204I203-M207 HydrophobicContact CG2-CE 3.61Å; I203-M207 WeakPolarHBondContact O-CE 3.38Å; I203-M207 WeakPolarHBondContact O-CG 3.14Å; I203-M207 PolarHBondContact O-N 3.09Å; N204-M207 HydrophobicContact CB-CE 4.47Å; N204-M207 HydrophobicContact CB-SD 4.4Å; N204-M207 WeakPolarHBondContact O-CG 3.18Å; N204-M207 WeakPolarHBondContact OD1-CE 3.5Å
208E57.5Low66.7Low108 Ų10884.8 Ų84.851%0.50547%0.471SS..Hα-helixtrans-80.8-15.1174.2-73.1175.2-16100112.8K200 N204 D210K200-E208 IonicContact NZ-OE1 3.82Å; K200-E208 IonicContact NZ-OE2 2.73Å; K200-E208 PolarHBondContact NZ-OE2 2.91Å; N204-E208 WeakPolarHBondContact O-CB 3.11Å; N204-E208 VanDerWaalsContact O-CG 3.26Å; N204-E208 WeakPolarHBondContact O-CG 3.38Å; N204-E208 PolarHBondContact O-N 2.97Å; N204-E208 VanDerWaalsContact O-N 3.07Å; E208-D210 VanDerWaalsContact C-N 3.3Å; E208-D210 PolarHBondContact O-N 3.45Å
209C54.5Low68.4Low74 Ų7485.9 Ų85.950%0.546%0.461SS..SBendtrans-72.283.2173.1-78.50000110.7Q205 L211Q205-C209 PolarHBondContact O-N 3.34Å; Q205-C209 VanDerWaalsContact O-N 3.12Å; Q205-C209 PolarHBondContact O-SG 2.96Å; C209-L211 VanDerWaalsContact C-N 3.33Å; C209-L211 PolarHBondContact O-N 2.74Å
210D57.1Low70.3Confident93 Ų9383.6 Ų83.650%0.49745%0.445SS..  trans42.146.3157.8-59.5-31.6000116.1E208 N212 S213E208-D210 VanDerWaalsContact C-N 3.3Å; E208-D210 PolarHBondContact O-N 3.45Å; D210-N212 PolarHBondContact O-N 2.95Å; D210-N212 VanDerWaalsContact O-N 3.09Å; D210-S213 WeakPolarHBondContact O-CB 3.47Å; D210-S213 PolarHBondContact O-N 2.8Å; D210-S213 PolarHBondContact O-OG 3Å
211L56.9Low71.8Confident85 Ų8584.6 Ų84.645%0.44545%0.451SS..Hα-helixtrans-52.9-29.8165.5-68175.3000110.7C209 S213 I214 E215C209-L211 VanDerWaalsContact C-N 3.33Å; C209-L211 PolarHBondContact O-N 2.74Å; L211-S213 PolarHBondContact O-N 2.91Å; L211-I214 HydrophobicContact CD2-CD1 4.37Å; L211-I214 PolarHBondContact O-N 3.03Å; L211-E215 WeakPolarHBondContact O-CG 3.25Å; L211-E215 PolarHBondContact O-N 3.31Å
212N55.2Low72.9Confident115 Ų11588.2 Ų88.262%0.61546%0.461SS*.Hα-helixtrans-57.6-31.6172-63.7-9000113.8D210 I214 N216D210-N212 PolarHBondContact O-N 2.95Å; D210-N212 VanDerWaalsContact O-N 3.09Å; N212-I214 VanDerWaalsContact C-N 3.35Å; N212-N216 WeakPolarHBondContact O-CB 3.47Å; N212-N216 VanDerWaalsContact O-CG 3.25Å; N212-N216 PolarHBondContact O-N 3Å
213S62.9Low73.8Confident65 Ų6589.4 Ų89.446%0.45546%0.461SS..Hα-helixtrans-76.8-25.2177.772.40000112.7D210 L211D210-S213 WeakPolarHBondContact O-CB 3.47Å; D210-S213 PolarHBondContact O-N 2.8Å; D210-S213 PolarHBondContact O-OG 3Å; L211-S213 PolarHBondContact O-N 2.91Å
214I72.9Confident74.7Confident67 Ų6784.7 Ų84.734%0.34444%0.436SS..Hα-helixtrans-85.3-24.5178.1-59.4167000110.4L211 N212L211-I214 HydrophobicContact CD2-CD1 4.37Å; L211-I214 PolarHBondContact O-N 3.03Å; N212-I214 VanDerWaalsContact C-N 3.35Å
215E80Confident75.8Confident82 Ų8284.6 Ų84.638%0.38344%0.441SS..Hα-helixtrans-88.4-15.5180-72.7-179.7-161.800114.2L211 K223 M224L211-E215 WeakPolarHBondContact O-CG 3.25Å; L211-E215 PolarHBondContact O-N 3.31Å; E215-K223 CarbonylContact O-C 3.49Å; E215-K223 VanDerWaalsContact O-CA 3.26Å; E215-K223 WeakPolarHBondContact O-CA 3.47Å; E215-M224 WeakPolarHBondContact O-CG 3.2Å; E215-M224 PolarHBondContact O-N 3.25Å
216N89.9Confident76.9Confident55 Ų5584.9 Ų84.929%0.29445%0.45SS..BIsolated β-bridgetrans-114.8136.1-173.4-66.73.6000111.9N212 S218 K222N212-N216 WeakPolarHBondContact O-CB 3.47Å; N212-N216 VanDerWaalsContact O-CG 3.25Å; N212-N216 PolarHBondContact O-N 3Å; N216-S218 PolarHBondContact O-N 3.48Å; N216-K222 WeakPolarHBondContact CA-O 3.47Å
217C93Very high78.1Confident1 Ų185.8 Ų85.81%0.00746%0.455CS..  trans-69.9132177.6173.60000112.2I219 C220 H221 K222 M224 V236 H238C217-I219 PolarHBondContact O-N 3.17Å; C217-I219 PolarHBondContact SG-N 3.5Å; C217-C220 PolarHBondContact SG-N 3.27Å; C217-H221 WeakPolarHBondContact O-CA 3.28Å; C217-H221 PolarHBondContact O-N 3.34Å; C217-H221 PolarHBondContact O-ND1 3.48Å; C217-K222 PolarHBondContact N-O 3.05Å; C217-M224 WeakPolarHBondContact CA-SD 3.44Å; C217-M224 HydrophobicContact CB-SD 3.53Å; C217-M224 VanDerWaalsContact CB-SD 3.53Å; C217-M224 PolarHBondContact N-SD 3.34Å; C217-V236 CarbonylContact C-O 3.55Å; C217-V236 WeakPolarHBondContact CA-O 3.26Å; C217-H238 WeakPolarHBondContact CB-CE1 3.35Å; C217-H238 WeakPolarHBondContact CB-ND1 3.09Å; C217-H238 PolarHBondContact SG-N 2.89Å; C217-H238 PolarHBondContact SG-ND1 2.9Å; C217-H238 VanDerWaalsContact SG-ND1 3.38Å
218S89.6Confident79.2Confident52 Ų5284.3 Ų84.336%0.36445%0.447SS..THydrogen-bonded Turntrans-67.8-15.8177.6-49.50000114.4N216 H221 Q235 V236N216-S218 PolarHBondContact O-N 3.48Å; S218-H221 PolarHBondContact O-CE1 3.01Å; S218-Q235 WeakPolarHBondContact OG-CB 3.03Å; S218-V236 PolarHBondContact N-O 3.48Å; S218-V236 PolarHBondContact OG-N 3.23Å; S218-V236 PolarHBondContact OG-O 3.42Å
219I90.7Very high80.7Confident86 Ų8682.2 Ų82.244%0.44143%0.434SS..THydrogen-bonded Turntrans-95.5-50.8-180-63171.6000111.4C217 I237 C241C217-I219 PolarHBondContact O-N 3.17Å; C217-I219 PolarHBondContact SG-N 3.5Å; I219-I237 HydrophobicContact CD1-CB 4.26Å; I219-I237 HydrophobicContact CD1-CD1 4.16Å; I219-I237 HydrophobicContact CD1-CG2 3.93Å; I219-I237 HydrophobicContact CG1-CG2 3.93Å; I219-C241 HydrophobicContact CB-CB 4.07Å; I219-C241 HydrophobicContact CD1-CB 3.93Å; I219-C241 VanDerWaalsContact CD1-O 3.25Å; I219-C241 WeakPolarHBondContact CD1-O 3.43Å; I219-C241 HydrophobicContact CG2-CB 4.25Å
220C93.7Very high82.4Confident45 Ų4580.5 Ų80.530%0.30442%0.418SS..THydrogen-bonded Turntrans-106.1-5.3-175.476.70000114.5C217 K222 H238C217-C220 PolarHBondContact SG-N 3.27Å; C220-K222 PolarHBondContact O-N 3.01Å; C220-H238 PolarHBondContact SG-CE1 3.1Å; C220-H238 PolarHBondContact SG-ND1 3.31Å
221H92Very high83.9Confident139 Ų13980.1 Ų80.164%0.64442%0.415SS*.  trans58.412.7-179.8-51.9-57.5000115.8C217 S218C217-H221 WeakPolarHBondContact O-CA 3.28Å; C217-H221 PolarHBondContact O-N 3.34Å; C217-H221 PolarHBondContact O-ND1 3.48Å; S218-H221 PolarHBondContact O-CE1 3.01Å
222K92.5Very high85.3Confident146 Ų14677.1 Ų77.164%0.63540%0.4SS*.  trans-85.4153.8174.3-60.8178.3-176.4-179.90110.9N216 C217 C220 H238N216-K222 WeakPolarHBondContact CA-O 3.47Å; C217-K222 PolarHBondContact N-O 3.05Å; C220-K222 PolarHBondContact O-N 3.01Å; K222-H238 PolarHBondContact O-CE1 3.08Å
223K90.9Very high86.5Confident160 Ų16076.6 Ų76.670%0.69640%0.401SS*.BIsolated β-bridgetrans-61.2143.9171.4-68.4-172.1174.4-164.80110.9E215 H238E215-K223 CarbonylContact O-C 3.49Å; E215-K223 VanDerWaalsContact O-CA 3.26Å; E215-K223 WeakPolarHBondContact O-CA 3.47Å; K223-H238 PolarHBondContact O-NE2 3.17Å
224M88.4Confident87.4Confident20 Ų2080.4 Ų80.410%0.09942%0.416CS..  trans-128.2140.5-17822.9-159.7-58.100110.5E215 C217 R229 V236 I237 H238E215-M224 WeakPolarHBondContact O-CG 3.2Å; E215-M224 PolarHBondContact O-N 3.25Å; C217-M224 WeakPolarHBondContact CA-SD 3.44Å; C217-M224 HydrophobicContact CB-SD 3.53Å; C217-M224 VanDerWaalsContact CB-SD 3.53Å; C217-M224 PolarHBondContact N-SD 3.34Å; M224-R229 HydrophobicContact CE-CB 2.92Å; M224-R229 HydrophobicContact CE-CG 4.25Å; M224-V236 HydrophobicContact CE-CG1 3.38Å; M224-V236 HydrophobicContact SD-CG1 3.88Å; M224-I237 WeakPolarHBondContact CE-O 3.04Å; M224-H238 WeakPolarHBondContact CB-NE2 3.36Å
225S86.6Confident88.1Confident63 Ų6379.6 Ų79.644%0.44141%0.411SS..  trans-74.6154.7168.372.60000110.2N227 E228S225-N227 PolarHBondContact O-N 2.71Å; S225-N227 VanDerWaalsContact O-N 3.08Å; S225-E228 PolarHBondContact O-N 3.02Å; S225-E228 VanDerWaalsContact O-N 3.11Å; S225-E228 PolarHBondContact OG-N 2.83Å
226V85.5Confident88.5Confident114 Ų11476.6 Ų76.669%0.69140%0.398SS*.G310 helixtrans-57.1-25.1173.8-177.50000111.8R229V226-R229 WeakPolarHBondContact O-CG 3.25Å
227N87.3Confident88.6Confident135 Ų13574 Ų7472%0.72238%0.384SS*.G310 helixtrans-79.1-30.9-178.9-139.463.5000112.6S225 R239S225-N227 PolarHBondContact O-N 2.71Å; S225-N227 VanDerWaalsContact O-N 3.08Å; N227-R239 PolarHBondContact O-NE 3.33Å; N227-R239 PolarHBondContact O-NH2 3.41Å
228E86.6Confident88.7Confident66 Ų6674.5 Ų74.531%0.30839%0.386SS..G310 helixtrans-97.512.1-174.6-153.1-167.215700113.1S225 H238 R239S225-E228 PolarHBondContact O-N 3.02Å; S225-E228 VanDerWaalsContact O-N 3.11Å; S225-E228 PolarHBondContact OG-N 2.83Å; E228-H238 CarbonylContact O-C 3.46Å; E228-H238 VanDerWaalsContact O-CA 3.28Å; E228-H238 WeakPolarHBondContact O-CA 3.47Å; E228-H238 IonicContact OE1-CD2 3.86Å; E228-H238 IonicContact OE2-CD2 3.01Å; E228-R239 HydrophobicContact CG-CB 4.5Å; E228-R239 WeakPolarHBondContact O-CG 3.45Å; E228-R239 PolarHBondContact O-N 3.12Å
229R89.3Confident88.7Confident63 Ų6377.3 Ų77.324%0.23839%0.389CS..EExtended strand (participates in β ladder)trans-102.5145.9-176.576.7-177.2-162.9-176.58.4114.6M224 V226 D231 V236 I237M224-R229 HydrophobicContact CE-CB 2.92Å; M224-R229 HydrophobicContact CE-CG 4.25Å; V226-R229 WeakPolarHBondContact O-CG 3.25Å; R229-D231 WeakPolarHBondContact CD-OD1 3.38Å; R229-D231 IonicContact CZ-OD1 3.69Å; R229-D231 IonicContact CZ-OD2 3.5Å; R229-D231 IonicContact NE-OD1 2.96Å; R229-D231 PolarHBondContact NE-OD1 3.04Å; R229-D231 VanDerWaalsContact NE-OD1 3.09Å; R229-D231 IonicContact NE-OD2 3.09Å; R229-D231 PolarHBondContact NE-OD2 3.09Å; R229-D231 IonicContact NH2-OD1 3.36Å; R229-D231 IonicContact NH2-OD2 3.71Å; R229-D231 PolarHBondContact NH2-OD2 3.11Å; R229-V236 HydrophobicContact CB-CG1 4.22Å; R229-I237 WeakPolarHBondContact CA-O 3.26Å
230Y90.3Very high88.8Confident39 Ų3978.4 Ų78.415%0.15340%0.396CS..EExtended strand (participates in β ladder)trans-106.5122.6157.1-78.6-63.1000109.1V236 I237 R239 F242 D253Y230-V236 WeakPolarHBondContact O-CA 3.32Å; Y230-I237 PolarHBondContact N-O 2.98Å; Y230-I237 PolarHBondContact O-N 3.09Å; Y230-R239 HydrophobicContact CD2-CB 4.19Å; Y230-R239 HydrophobicContact CD2-CG 3.82Å; Y230-R239 HydrophobicContact CE2-CB 3.86Å; Y230-R239 HydrophobicContact CE2-CG 3.56Å; Y230-F242 HydrophobicContact CD2-CB 3.91Å; Y230-F242 AromaticContact CD2-CD1 3.83Å; Y230-F242 HydrophobicContact CD2-CD1 3.83Å; Y230-F242 HydrophobicContact CD2-CG 4.13Å; Y230-F242 HydrophobicContact CE2-CB 4.22Å; Y230-F242 AromaticContact CE2-CD1 3.76Å; Y230-F242 HydrophobicContact CE2-CD1 3.76Å; Y230-F242 HydrophobicContact CE2-CG 4.4Å; Y230-D253 WeakPolarHBondContact CE1-OD1 3.39Å
231D88.1Confident88.8Confident84 Ų8477.6 Ų77.645%0.44939%0.39SS..EExtended strand (participates in β ladder)trans-90.8100172.3-65.4-34.3000107.3R229R229-D231 WeakPolarHBondContact CD-OD1 3.38Å; R229-D231 IonicContact CZ-OD1 3.69Å; R229-D231 IonicContact CZ-OD2 3.5Å; R229-D231 IonicContact NE-OD1 2.96Å; R229-D231 PolarHBondContact NE-OD1 3.04Å; R229-D231 VanDerWaalsContact NE-OD1 3.09Å; R229-D231 IonicContact NE-OD2 3.09Å; R229-D231 PolarHBondContact NE-OD2 3.09Å; R229-D231 IonicContact NH2-OD1 3.36Å; R229-D231 IonicContact NH2-OD2 3.71Å; R229-D231 PolarHBondContact NH2-OD2 3.11Å
232L85.3Confident88.9Confident23 Ų2371.1 Ų71.112%0.1236%0.36CS..  trans-93.8168.6175.8-54.6165.8000109.3I89 D234 Q235 I237 F242 W263I89-L232 HydrophobicContact CD1-CB 4.33Å; I89-L232 HydrophobicContact CD1-CD2 4.11Å; L232-D234 VanDerWaalsContact C-N 3.27Å; L232-D234 PolarHBondContact O-N 3.4Å; L232-Q235 WeakPolarHBondContact CA-O 3.46Å; L232-Q235 HydrophobicContact CB-CG 3.94Å; L232-Q235 VanDerWaalsContact CB-O 3.25Å; L232-Q235 WeakPolarHBondContact CB-O 3.06Å; L232-Q235 HydrophobicContact CD1-CG 3.73Å; L232-Q235 HydrophobicContact CG-CG 4.44Å; L232-Q235 PolarHBondContact N-O 3.33Å; L232-I237 HydrophobicContact CD1-CD1 3.46Å; L232-I237 VanDerWaalsContact CD1-CD1 3.46Å; L232-I237 HydrophobicContact CD1-CG1 3.82Å; L232-F242 HydrophobicContact CD1-CE2 4.46Å; L232-F242 HydrophobicContact CD2-CZ 4.48Å; L232-W263 HydrophobicContact CD1-CH2 4.34Å; L232-W263 HydrophobicContact CD1-CZ2 3.52Å; L232-W263 HydrophobicContact CD2-CH2 4.2Å; L232-W263 HydrophobicContact CD2-CZ2 4.19Å; L232-W263 HydrophobicContact CG-CZ2 4.29Å
233V80.5Confident88.9Confident104 Ų10468.1 Ų68.163%0.6335%0.347SS*.SBendtrans-53.3-43.5-174.3174.60000112.7I89I89-V233 HydrophobicContact CD1-CB 4.47Å; I89-V233 HydrophobicContact CD1-CG2 3.9Å; I89-V233 HydrophobicContact CG1-CG2 4.15Å; I89-V233 HydrophobicContact CG2-CG2 4.4Å
234D82Confident89Confident144 Ų14460.5 Ų60.577%0.7731%0.314SS*.SBendtrans-116.8-4-174.4-66.3-46.7000114.1L232L232-D234 VanDerWaalsContact C-N 3.27Å; L232-D234 PolarHBondContact O-N 3.4Å
235Q86.9Confident89.2Confident50 Ų5062.5 Ų62.523%0.23433%0.33CS..  trans-153.7153.7-169.657.5179.455.400113S218 L232 I237S218-Q235 WeakPolarHBondContact OG-CB 3.03Å; L232-Q235 WeakPolarHBondContact CA-O 3.46Å; L232-Q235 HydrophobicContact CB-CG 3.94Å; L232-Q235 VanDerWaalsContact CB-O 3.25Å; L232-Q235 WeakPolarHBondContact CB-O 3.06Å; L232-Q235 HydrophobicContact CD1-CG 3.73Å; L232-Q235 HydrophobicContact CG-CG 4.44Å; L232-Q235 PolarHBondContact N-O 3.33Å; Q235-I237 HydrophobicContact CG-CG2 4.44Å
236V90.4Very high89.4Confident20 Ų2063 Ų6312%0.12133%0.327CS..EExtended strand (participates in β ladder)trans-116.5125.9176.2-179.70000107.9C217 S218 M224 R229 Y230C217-V236 CarbonylContact C-O 3.55Å; C217-V236 WeakPolarHBondContact CA-O 3.26Å; S218-V236 PolarHBondContact N-O 3.48Å; S218-V236 PolarHBondContact OG-N 3.23Å; S218-V236 PolarHBondContact OG-O 3.42Å; M224-V236 HydrophobicContact CE-CG1 3.38Å; M224-V236 HydrophobicContact SD-CG1 3.88Å; R229-V236 HydrophobicContact CB-CG1 4.22Å; Y230-V236 WeakPolarHBondContact O-CA 3.32Å
237I92Very high89.7Confident0 Ų060.2 Ų60.20%031%0.312CS..EExtended strand (participates in β ladder)trans-136152.9-174.164.5173.5000112.4I219 M224 R229 Y230 L232 Q235 F242I219-I237 HydrophobicContact CD1-CB 4.26Å; I219-I237 HydrophobicContact CD1-CD1 4.16Å; I219-I237 HydrophobicContact CD1-CG2 3.93Å; I219-I237 HydrophobicContact CG1-CG2 3.93Å; M224-I237 WeakPolarHBondContact CE-O 3.04Å; R229-I237 WeakPolarHBondContact CA-O 3.26Å; Y230-I237 PolarHBondContact N-O 2.98Å; Y230-I237 PolarHBondContact O-N 3.09Å; L232-I237 HydrophobicContact CD1-CD1 3.46Å; L232-I237 VanDerWaalsContact CD1-CD1 3.46Å; L232-I237 HydrophobicContact CD1-CG1 3.82Å; Q235-I237 HydrophobicContact CG-CG2 4.44Å; I237-F242 HydrophobicContact CD1-CB 3.64Å; I237-F242 HydrophobicContact CD1-CD2 3.35Å; I237-F242 HydrophobicContact CD1-CE2 4.17Å; I237-F242 HydrophobicContact CD1-CG 3.78Å; I237-F242 HydrophobicContact CG1-CB 4.44Å
238H93.2Very high90Very high12 Ų1259 Ų596%0.05631%0.306CS..EExtended strand (participates in β ladder)trans-62.4146.7170.7-61.796000110.6C217 C220 K222 K223 M224 E228 N240 C241 F242C217-H238 WeakPolarHBondContact CB-CE1 3.35Å; C217-H238 WeakPolarHBondContact CB-ND1 3.09Å; C217-H238 PolarHBondContact SG-N 2.89Å; C217-H238 PolarHBondContact SG-ND1 2.9Å; C217-H238 VanDerWaalsContact SG-ND1 3.38Å; C220-H238 PolarHBondContact SG-CE1 3.1Å; C220-H238 PolarHBondContact SG-ND1 3.31Å; K222-H238 PolarHBondContact O-CE1 3.08Å; K223-H238 PolarHBondContact O-NE2 3.17Å; M224-H238 WeakPolarHBondContact CB-NE2 3.36Å; E228-H238 CarbonylContact O-C 3.46Å; E228-H238 VanDerWaalsContact O-CA 3.28Å; E228-H238 WeakPolarHBondContact O-CA 3.47Å; E228-H238 IonicContact OE1-CD2 3.86Å; E228-H238 IonicContact OE2-CD2 3.01Å; H238-N240 PolarHBondContact O-N 3.36Å; H238-C241 HydrophobicContact CB-CB 3.96Å; H238-C241 PolarHBondContact O-N 3.36Å; H238-F242 PolarHBondContact O-N 3.07Å; H238-F242 VanDerWaalsContact O-N 3.07Å
239R91.2Very high90.3Very high110 Ų11061.8 Ų61.842%0.41532%0.319SS..THydrogen-bonded Turntrans-51.8-39.9167.2-68.7177.5-174.3-116.11.1111.4N227 E228 Y230 F242N227-R239 PolarHBondContact O-NE 3.33Å; N227-R239 PolarHBondContact O-NH2 3.41Å; E228-R239 HydrophobicContact CG-CB 4.5Å; E228-R239 WeakPolarHBondContact O-CG 3.45Å; E228-R239 PolarHBondContact O-N 3.12Å; Y230-R239 HydrophobicContact CD2-CB 4.19Å; Y230-R239 HydrophobicContact CD2-CG 3.82Å; Y230-R239 HydrophobicContact CE2-CB 3.86Å; Y230-R239 HydrophobicContact CE2-CG 3.56Å; R239-F242 PolarHBondContact O-N 3.37Å
240N92.6Very high90.4Very high109 Ų10961.8 Ų61.858%0.58333%0.326SS*.THydrogen-bonded Turntrans-75.9-22.6179.3-68.130.1000113.3H238 K243H238-N240 PolarHBondContact O-N 3.36Å; N240-K243 WeakPolarHBondContact O-CD 3.41Å; N240-K243 WeakPolarHBondContact O-CE 3.38Å
241C93.4Very high90.5Very high29 Ų2960 Ų6020%0.19632%0.319CS..THydrogen-bonded Turntrans-84.4-15.3174.4-68.60000112.3I219 H238 K243I219-C241 HydrophobicContact CB-CB 4.07Å; I219-C241 HydrophobicContact CD1-CB 3.93Å; I219-C241 VanDerWaalsContact CD1-O 3.25Å; I219-C241 WeakPolarHBondContact CD1-O 3.43Å; I219-C241 HydrophobicContact CG2-CB 4.25Å; H238-C241 HydrophobicContact CB-CB 3.96Å; H238-C241 PolarHBondContact O-N 3.36Å; C241-K243 VanDerWaalsContact C-N 3.32Å; C241-K243 PolarHBondContact O-N 3.12Å
242F93.2Very high90.4Very high3 Ų359.7 Ų59.71%0.01332%0.32CS..  trans-76.984.2179-168.5-140.4000110.8Y230 L232 I237 H238 R239 T250 L251 A256 W263Y230-F242 HydrophobicContact CD2-CB 3.91Å; Y230-F242 AromaticContact CD2-CD1 3.83Å; Y230-F242 HydrophobicContact CD2-CD1 3.83Å; Y230-F242 HydrophobicContact CD2-CG 4.13Å; Y230-F242 HydrophobicContact CE2-CB 4.22Å; Y230-F242 AromaticContact CE2-CD1 3.76Å; Y230-F242 HydrophobicContact CE2-CD1 3.76Å; Y230-F242 HydrophobicContact CE2-CG 4.4Å; L232-F242 HydrophobicContact CD1-CE2 4.46Å; L232-F242 HydrophobicContact CD2-CZ 4.48Å; I237-F242 HydrophobicContact CD1-CB 3.64Å; I237-F242 HydrophobicContact CD1-CD2 3.35Å; I237-F242 HydrophobicContact CD1-CE2 4.17Å; I237-F242 HydrophobicContact CD1-CG 3.78Å; I237-F242 HydrophobicContact CG1-CB 4.44Å; H238-F242 PolarHBondContact O-N 3.07Å; H238-F242 VanDerWaalsContact O-N 3.07Å; R239-F242 PolarHBondContact O-N 3.37Å; F242-T250 WeakPolarHBondContact O-CA 3.46Å; F242-L251 HydrophobicContact CD1-CB 3.67Å; F242-L251 WeakPolarHBondContact CD1-O 3.28Å; F242-L251 HydrophobicContact CD2-CB 4.32Å; F242-L251 HydrophobicContact CD2-CD1 4.3Å; F242-L251 HydrophobicContact CE1-CB 3.65Å; F242-L251 HydrophobicContact CE2-CB 4.34Å; F242-L251 HydrophobicContact CE2-CD1 4.14Å; F242-L251 HydrophobicContact CG-CB 4.04Å; F242-L251 HydrophobicContact CZ-CB 4.04Å; F242-L251 HydrophobicContact CZ-CD1 4.44Å; F242-L251 PolarHBondContact O-N 3.18Å; F242-A256 HydrophobicContact CE1-CB 3.78Å; F242-A256 HydrophobicContact CE2-CB 3.99Å; F242-A256 HydrophobicContact CZ-CB 3.18Å; F242-W263 HydrophobicContact CD2-CD2 4.36Å; F242-W263 HydrophobicContact CD2-CG 4.23Å; F242-W263 HydrophobicContact CE2-CB 4.35Å; F242-W263 AromaticContact CE2-CD2 3.54Å; F242-W263 HydrophobicContact CE2-CD2 3.54Å; F242-W263 AromaticContact CE2-CE3 3.66Å; F242-W263 HydrophobicContact CE2-CE3 3.66Å; F242-W263 AromaticContact CE2-CG 3.84Å; F242-W263 HydrophobicContact CE2-CG 3.84Å; F242-W263 HydrophobicContact CE2-CZ3 4.22Å; F242-W263 HydrophobicContact CZ-CD2 4.45Å; F242-W263 HydrophobicContact CZ-CE3 4.15Å; F242-W263 HydrophobicContact CZ-CZ3 4.41Å
243K93.6Very high90Very high83 Ų8361.5 Ų61.536%0.36133%0.33SS..BIsolated β-bridgetrans-128150.5-173.2-70.1179.4167.5-61.40111.8N240 C241 S245 N248 E249 T250N240-K243 WeakPolarHBondContact O-CD 3.41Å; N240-K243 WeakPolarHBondContact O-CE 3.38Å; C241-K243 VanDerWaalsContact C-N 3.32Å; C241-K243 PolarHBondContact O-N 3.12Å; K243-S245 PolarHBondContact O-N 3.03Å; K243-N248 WeakPolarHBondContact CD-O 3.37Å; K243-N248 PolarHBondContact NZ-O 3.11Å; K243-N248 VanDerWaalsContact NZ-O 3.13Å; K243-E249 CarbonylContact C-O 3.55Å; K243-E249 VanDerWaalsContact CA-O 3.24Å; K243-E249 WeakPolarHBondContact CA-O 3.42Å; K243-T250 PolarHBondContact NZ-OG1 3.32Å
244C93Very high90Very high0 Ų064.8 Ų64.80%034%0.336CS..  trans-66130.2172.5-1780000109.5I246 C247 N248 E249 L251 W263 C265 H268C244-I246 PolarHBondContact O-N 3.48Å; C244-I246 VanDerWaalsContact O-N 3.09Å; C244-I246 PolarHBondContact SG-N 3.28Å; C244-C247 WeakPolarHBondContact CB-SG 3.43Å; C244-C247 VanDerWaalsContact SG-SG 3.64Å; C244-N248 WeakPolarHBondContact O-CA 3.41Å; C244-N248 PolarHBondContact O-N 2.89Å; C244-E249 PolarHBondContact N-O 3.44Å; C244-L251 HydrophobicContact CB-CD2 3.98Å; C244-L251 HydrophobicContact CB-CG 4.33Å; C244-W263 CarbonylContact C-O 3.53Å; C244-W263 WeakPolarHBondContact CA-O 3.44Å; C244-C265 HydrophobicContact CB-CB 4.3Å; C244-C265 PolarHBondContact SG-N 3.06Å; C244-H268 PolarHBondContact SG-ND1 2.85Å; C244-H268 VanDerWaalsContact SG-ND1 3.35Å
245S91.5Very high90Very high62 Ų6259.6 Ų59.643%0.43431%0.31SS..THydrogen-bonded Turntrans-63.6-13.4176.754.60000114.6K243 S262 W263K243-S245 PolarHBondContact O-N 3.03Å; S245-S262 PolarHBondContact OG-OG 2.89Å; S245-W263 PolarHBondContact N-O 3.03Å; S245-W263 PolarHBondContact OG-O 3.02Å
246I90.4Very high90.1Very high72 Ų7257.8 Ų57.837%0.36930%0.304SS..THydrogen-bonded Turntrans-105.8-50.6-173.5-59.2155000111.5C244 C264 H268 N272C244-I246 PolarHBondContact O-N 3.48Å; C244-I246 VanDerWaalsContact O-N 3.09Å; C244-I246 PolarHBondContact SG-N 3.28Å; I246-C264 HydrophobicContact CD1-CB 4.26Å; I246-H268 HydrophobicContact CB-CB 4.43Å; I246-H268 HydrophobicContact CD1-CB 3.53Å; I246-N272 WeakPolarHBondContact CD1-ND2 3.44Å
247C93.3Very high90.1Very high57 Ų5758.4 Ų58.439%0.38531%0.306SS..THydrogen-bonded Turntrans-97.8-9.217545.90000115.3C244 E249 H268C244-C247 WeakPolarHBondContact CB-SG 3.43Å; C244-C247 VanDerWaalsContact SG-SG 3.64Å; C247-E249 HydrophobicContact CB-CB 4.36Å; C247-E249 PolarHBondContact O-N 3.37Å; C247-E249 VanDerWaalsContact O-N 3.09Å; C247-E249 VanDerWaalsContact SG-CB 3.51Å; C247-H268 VanDerWaalsContact CB-CE1 3.48Å; C247-H268 WeakPolarHBondContact CB-CE1 3.43Å; C247-H268 PolarHBondContact SG-CE1 3.07Å
248N93.1Very high89.9Confident109 Ų10962.3 Ų62.358%0.58332%0.324SS*.  trans60.711.8-171-55.8-50.9000115.3K243 C244K243-N248 WeakPolarHBondContact CD-O 3.37Å; K243-N248 PolarHBondContact NZ-O 3.11Å; K243-N248 VanDerWaalsContact NZ-O 3.13Å; C244-N248 WeakPolarHBondContact O-CA 3.41Å; C244-N248 PolarHBondContact O-N 2.89Å
249E92.2Very high89.5Confident125 Ų12563.4 Ų63.458%0.58433%0.329SS*.PPolyproline II helixtrans-67.8142.3174.5-164.857.4-121.800110.4K243 C244 C247 L251K243-E249 CarbonylContact C-O 3.55Å; K243-E249 VanDerWaalsContact CA-O 3.24Å; K243-E249 WeakPolarHBondContact CA-O 3.42Å; C244-E249 PolarHBondContact N-O 3.44Å; C247-E249 HydrophobicContact CB-CB 4.36Å; C247-E249 PolarHBondContact O-N 3.37Å; C247-E249 VanDerWaalsContact O-N 3.09Å; C247-E249 VanDerWaalsContact SG-CB 3.51Å; E249-L251 PolarHBondContact O-N 3.27Å
250T92.5Very high89.2Confident63 Ų6365.1 Ų65.139%0.38735%0.346SS..BIsolated β-bridgetrans-68.3124.4178.3-52.70000109.6F242 K243F242-T250 WeakPolarHBondContact O-CA 3.46Å; K243-T250 PolarHBondContact NZ-OG1 3.32Å
251L91.8Very high88.8Confident2 Ų263 Ų631%0.0135%0.349CS..PPolyproline II helixtrans-81.6143.6-179.1-65.6174000110.2F242 C244 E249 A256 W263 C265F242-L251 HydrophobicContact CD1-CB 3.67Å; F242-L251 WeakPolarHBondContact CD1-O 3.28Å; F242-L251 HydrophobicContact CD2-CB 4.32Å; F242-L251 HydrophobicContact CD2-CD1 4.3Å; F242-L251 HydrophobicContact CE1-CB 3.65Å; F242-L251 HydrophobicContact CE2-CB 4.34Å; F242-L251 HydrophobicContact CE2-CD1 4.14Å; F242-L251 HydrophobicContact CG-CB 4.04Å; F242-L251 HydrophobicContact CZ-CB 4.04Å; F242-L251 HydrophobicContact CZ-CD1 4.44Å; F242-L251 PolarHBondContact O-N 3.18Å; C244-L251 HydrophobicContact CB-CD2 3.98Å; C244-L251 HydrophobicContact CB-CG 4.33Å; E249-L251 PolarHBondContact O-N 3.27Å; L251-A256 HydrophobicContact CB-CB 4.05Å; L251-A256 HydrophobicContact CD1-CB 4.05Å; L251-A256 HydrophobicContact CG-CB 4.5Å; L251-W263 HydrophobicContact CD1-CB 3.62Å; L251-C265 HydrophobicContact CD2-CB 3.59Å
252T85.8Confident88.5Confident77 Ų7763.8 Ų63.847%0.47236%0.355SS..  trans-105.4158.1167.164.70000108.9K254 S255 A256T252-K254 PolarHBondContact O-N 3.3Å; T252-S255 PolarHBondContact N-OG 3.38Å; T252-S255 PolarHBondContact O-N 2.73Å; T252-S255 PolarHBondContact O-OG 3Å; T252-S255 PolarHBondContact OG1-OG 3.2Å; T252-S255 VanDerWaalsContact OG1-OG 3.14Å; T252-A256 PolarHBondContact O-N 3.17Å; T252-A256 VanDerWaalsContact O-N 3.16Å
253D76.8Confident88.4Confident60 Ų6064.8 Ų64.832%0.32136%0.359SS..THydrogen-bonded Turntrans-50.7-29.1-179.5-54.9-30.7000113.1T91 Y230T91-D253 HydrophobicContact CG2-CB 4.27Å; Y230-D253 WeakPolarHBondContact CE1-OD1 3.39Å
254K80.4Confident88.3Confident174 Ų17461 Ų6176%0.75734%0.343SS*.THydrogen-bonded Turntrans-80.5-27.7-178.5-62.5-177.7-178-179.30113.9R88 T252R88-K254 PolarHBondContact NH2-O 3.21Å; T252-K254 PolarHBondContact O-N 3.3Å
255S83.8Confident88.2Confident34 Ų3461.9 Ų61.924%0.23835%0.349CS..THydrogen-bonded Turntrans-108.8-3.5-169.866.60000113.7T252 C265 A266T252-S255 PolarHBondContact N-OG 3.38Å; T252-S255 PolarHBondContact O-N 2.73Å; T252-S255 PolarHBondContact O-OG 3Å; T252-S255 PolarHBondContact OG1-OG 3.2Å; T252-S255 VanDerWaalsContact OG1-OG 3.14Å; S255-C265 CarbonylContact O-C 3.41Å; S255-C265 VanDerWaalsContact O-CA 3.24Å; S255-C265 WeakPolarHBondContact O-CA 3.44Å; S255-A266 PolarHBondContact O-N 3.02Å
256A88.4Confident88.1Confident12 Ų1261.1 Ų61.110%0.09935%0.347CS..EExtended strand (participates in β ladder)trans-87.8133-177.500000112.2F242 L251 T252 W263F242-A256 HydrophobicContact CE1-CB 3.78Å; F242-A256 HydrophobicContact CE2-CB 3.99Å; F242-A256 HydrophobicContact CZ-CB 3.18Å; L251-A256 HydrophobicContact CB-CB 4.05Å; L251-A256 HydrophobicContact CD1-CB 4.05Å; L251-A256 HydrophobicContact CG-CB 4.5Å; T252-A256 PolarHBondContact O-N 3.17Å; T252-A256 VanDerWaalsContact O-N 3.16Å; A256-W263 HydrophobicContact CB-CE3 4.05Å; A256-W263 HydrophobicContact CB-CZ3 4.27Å
257I89.4Confident88.1Confident33 Ų3362.2 Ų62.217%0.16935%0.353CS..EExtended strand (participates in β ladder)trans-129.8133.6174.8-59179.2000107.8W263 C264 A266 F269I257-W263 WeakPolarHBondContact O-CA 3.43Å; I257-C264 PolarHBondContact N-O 3.38Å; I257-C264 PolarHBondContact O-N 3.46Å; I257-C264 PolarHBondContact O-SG 3.23Å; I257-C264 VanDerWaalsContact O-SG 3.41Å; I257-A266 HydrophobicContact CD1-CB 4.17Å; I257-F269 HydrophobicContact CB-CB 4.31Å; I257-F269 HydrophobicContact CB-CD2 4.23Å; I257-F269 HydrophobicContact CB-CG 4.19Å; I257-F269 HydrophobicContact CD1-CB 3.56Å; I257-F269 HydrophobicContact CD1-CD1 3.37Å; I257-F269 HydrophobicContact CD1-CD2 4.29Å; I257-F269 HydrophobicContact CD1-CE1 4.1Å; I257-F269 HydrophobicContact CD1-CG 3.48Å; I257-F269 VanDerWaalsContact CD1-CG 3.48Å; I257-F269 HydrophobicContact CG1-CB 4.45Å; I257-F269 HydrophobicContact CG1-CG 4.41Å; I257-F269 HydrophobicContact CG2-CB 4.42Å; I257-F269 HydrophobicContact CG2-CD1 4.24Å; I257-F269 HydrophobicContact CG2-CD2 3.47Å; I257-F269 VanDerWaalsContact CG2-CD2 3.47Å; I257-F269 HydrophobicContact CG2-CE1 4.36Å; I257-F269 HydrophobicContact CG2-CE2 3.66Å; I257-F269 HydrophobicContact CG2-CG 3.79Å; I257-F269 HydrophobicContact CG2-CZ 4.11Å
258F88.3Confident87.9Confident83 Ų8361.5 Ų61.536%0.36434%0.344SS..EExtended strand (participates in β ladder)trans-95.5116.1177-168-115.2000109.7S262 W263F258-S262 WeakPolarHBondContact CD2-O 3.13Å; F258-W263 HydrophobicContact CB-CD2 4.38Å; F258-W263 HydrophobicContact CB-CE3 3.94Å; F258-W263 HydrophobicContact CB-CH2 3.74Å; F258-W263 HydrophobicContact CB-CZ2 4.2Å; F258-W263 HydrophobicContact CB-CZ3 3.64Å; F258-W263 AromaticContact CD2-CD2 3.69Å; F258-W263 HydrophobicContact CD2-CD2 3.69Å; F258-W263 AromaticContact CD2-CE2 3.47Å; F258-W263 VanDerWaalsContact CD2-CE2 3.47Å; F258-W263 HydrophobicContact CD2-CE3 4.13Å; F258-W263 HydrophobicContact CD2-CG 4.14Å; F258-W263 HydrophobicContact CD2-CH2 4.1Å; F258-W263 AromaticContact CD2-CZ2 3.67Å; F258-W263 HydrophobicContact CD2-CZ2 3.67Å; F258-W263 HydrophobicContact CD2-CZ3 4.35Å; F258-W263 AromaticContact CD2-NE1 3.81Å; F258-W263 HydrophobicContact CE2-CZ2 4.31Å; F258-W263 AromaticContact CE2-NE1 3.93Å; F258-W263 HydrophobicContact CG-CD2 4.5Å; F258-W263 HydrophobicContact CG-CH2 4.16Å; F258-W263 HydrophobicContact CG-CZ2 4.12Å; F258-W263 HydrophobicContact CG-CZ3 4.4Å
259Q85Confident87.7Confident34 Ų3457.9 Ų57.916%0.15932%0.323CS..EExtended strand (participates in β ladder)trans-139.9134.3-178.2-176.4177.72400110.4G261 S262 F269Q259-G261 PolarHBondContact O-N 3.16Å; Q259-G261 VanDerWaalsContact O-N 3.12Å; Q259-S262 PolarHBondContact N-O 3.13Å; Q259-S262 PolarHBondContact O-N 3.31Å; Q259-S262 PolarHBondContact O-OG 2.9Å; Q259-F269 HydrophobicContact CB-CD2 4.35Å; Q259-F269 HydrophobicContact CB-CE2 4.3Å; Q259-F269 HydrophobicContact CG-CE2 4.33Å
260N83.8Confident87.4Confident147 Ų14759.4 Ų59.479%0.78632%0.323SS*.THydrogen-bonded Turntrans51.835.6176.6-64.745.5000114S262N260-S262 VanDerWaalsContact C-N 3.32Å; N260-S262 PolarHBondContact O-N 3.49Å
261G84.9Confident87Confident63 Ų6362.4 Ų62.465%0.64933%0.328SS*.THydrogen-bonded Turntrans80.95.7-179.800000115Q259Q259-G261 PolarHBondContact O-N 3.16Å; Q259-G261 VanDerWaalsContact O-N 3.12Å
262S87.8Confident86Confident46 Ų4664.9 Ų64.932%0.32234%0.341SS..EExtended strand (participates in β ladder)trans-130.5158.7179.474.30000112.3S245 F258 Q259 N260S245-S262 PolarHBondContact OG-OG 2.89Å; F258-S262 WeakPolarHBondContact CD2-O 3.13Å; Q259-S262 PolarHBondContact N-O 3.13Å; Q259-S262 PolarHBondContact O-N 3.31Å; Q259-S262 PolarHBondContact O-OG 2.9Å; N260-S262 VanDerWaalsContact C-N 3.32Å; N260-S262 PolarHBondContact O-N 3.49Å
263W90.2Very high85Confident24 Ų2464 Ų649%0.09133%0.333CS..EExtended strand (participates in β ladder)trans-92.3128.8177.2-67.7100.4000110.8I89 L232 F242 C244 S245 L251 A256 I257 F258I89-W263 HydrophobicContact CD1-CH2 3.56Å; I89-W263 HydrophobicContact CD1-CZ2 4.36Å; I89-W263 HydrophobicContact CD1-CZ3 4.44Å; I89-W263 HydrophobicContact CG1-CH2 4.46Å; L232-W263 HydrophobicContact CD1-CH2 4.34Å; L232-W263 HydrophobicContact CD1-CZ2 3.52Å; L232-W263 HydrophobicContact CD2-CH2 4.2Å; L232-W263 HydrophobicContact CD2-CZ2 4.19Å; L232-W263 HydrophobicContact CG-CZ2 4.29Å; F242-W263 HydrophobicContact CD2-CD2 4.36Å; F242-W263 HydrophobicContact CD2-CG 4.23Å; F242-W263 HydrophobicContact CE2-CB 4.35Å; F242-W263 AromaticContact CE2-CD2 3.54Å; F242-W263 HydrophobicContact CE2-CD2 3.54Å; F242-W263 AromaticContact CE2-CE3 3.66Å; F242-W263 HydrophobicContact CE2-CE3 3.66Å; F242-W263 AromaticContact CE2-CG 3.84Å; F242-W263 HydrophobicContact CE2-CG 3.84Å; F242-W263 HydrophobicContact CE2-CZ3 4.22Å; F242-W263 HydrophobicContact CZ-CD2 4.45Å; F242-W263 HydrophobicContact CZ-CE3 4.15Å; F242-W263 HydrophobicContact CZ-CZ3 4.41Å; C244-W263 CarbonylContact C-O 3.53Å; C244-W263 WeakPolarHBondContact CA-O 3.44Å; S245-W263 PolarHBondContact N-O 3.03Å; S245-W263 PolarHBondContact OG-O 3.02Å; L251-W263 HydrophobicContact CD1-CB 3.62Å; A256-W263 HydrophobicContact CB-CE3 4.05Å; A256-W263 HydrophobicContact CB-CZ3 4.27Å; I257-W263 WeakPolarHBondContact O-CA 3.43Å; F258-W263 HydrophobicContact CB-CD2 4.38Å; F258-W263 HydrophobicContact CB-CE3 3.94Å; F258-W263 HydrophobicContact CB-CH2 3.74Å; F258-W263 HydrophobicContact CB-CZ2 4.2Å; F258-W263 HydrophobicContact CB-CZ3 3.64Å; F258-W263 AromaticContact CD2-CD2 3.69Å; F258-W263 HydrophobicContact CD2-CD2 3.69Å; F258-W263 AromaticContact CD2-CE2 3.47Å; F258-W263 VanDerWaalsContact CD2-CE2 3.47Å; F258-W263 HydrophobicContact CD2-CE3 4.13Å; F258-W263 HydrophobicContact CD2-CG 4.14Å; F258-W263 HydrophobicContact CD2-CH2 4.1Å; F258-W263 AromaticContact CD2-CZ2 3.67Å; F258-W263 HydrophobicContact CD2-CZ2 3.67Å; F258-W263 HydrophobicContact CD2-CZ3 4.35Å; F258-W263 AromaticContact CD2-NE1 3.81Å; F258-W263 HydrophobicContact CE2-CZ2 4.31Å; F258-W263 AromaticContact CE2-NE1 3.93Å; F258-W263 HydrophobicContact CG-CD2 4.5Å; F258-W263 HydrophobicContact CG-CH2 4.16Å; F258-W263 HydrophobicContact CG-CZ2 4.12Å; F258-W263 HydrophobicContact CG-CZ3 4.4Å
264C91.1Very high83.9Confident4 Ų466.1 Ų66.13%0.02735%0.345CS..EExtended strand (participates in β ladder)trans-126.1157.1176.164.10000111.7I246 I257I246-C264 HydrophobicContact CD1-CB 4.26Å; I257-C264 PolarHBondContact N-O 3.38Å; I257-C264 PolarHBondContact O-N 3.46Å; I257-C264 PolarHBondContact O-SG 3.23Å; I257-C264 VanDerWaalsContact O-SG 3.41Å
265C92.3Very high82.7Confident18 Ų1863.3 Ų63.312%0.12234%0.337CS..EExtended strand (participates in β ladder)trans-79.1154.3173.469.30000110.4C244 L251 S255 L267 H268 F269C244-C265 HydrophobicContact CB-CB 4.3Å; C244-C265 PolarHBondContact SG-N 3.06Å; L251-C265 HydrophobicContact CD2-CB 3.59Å; S255-C265 CarbonylContact O-C 3.41Å; S255-C265 VanDerWaalsContact O-CA 3.24Å; S255-C265 WeakPolarHBondContact O-CA 3.44Å; C265-L267 PolarHBondContact O-N 3.03Å; C265-L267 VanDerWaalsContact O-N 3.12Å; C265-H268 PolarHBondContact O-N 3.4Å; C265-H268 VanDerWaalsContact SG-CG 3.57Å; C265-H268 PolarHBondContact SG-N 3.23Å; C265-H268 VanDerWaalsContact SG-N 3.41Å; C265-H268 PolarHBondContact SG-ND1 3.31Å; C265-F269 PolarHBondContact O-N 3.5Å
266A89.3Confident81.3Confident47 Ų4765.5 Ų65.539%0.38835%0.345SS..Hα-helixtrans-54-34178.900000113.5S255 I257 R270S255-A266 PolarHBondContact O-N 3.02Å; I257-A266 HydrophobicContact CD1-CB 4.17Å; A266-R270 WeakPolarHBondContact O-CB 3.15Å; A266-R270 PolarHBondContact O-N 2.93Å; A266-R270 VanDerWaalsContact O-N 3.11Å
267L89.9Confident79.5Confident94 Ų9471 Ų7149%0.49237%0.373SS..Hα-helixtrans-62.7-51.8175.8-171.867.9000111C265 R270 Y271C265-L267 PolarHBondContact O-N 3.03Å; C265-L267 VanDerWaalsContact O-N 3.12Å; L267-R270 PolarHBondContact O-N 3.13Å; L267-Y271 HydrophobicContact CD1-CD2 4.23Å; L267-Y271 HydrophobicContact CD1-CE2 3.44Å; L267-Y271 VanDerWaalsContact CD1-CE2 3.44Å; L267-Y271 HydrophobicContact CD2-CE2 4.41Å; L267-Y271 HydrophobicContact CG-CD2 4.02Å; L267-Y271 HydrophobicContact CG-CE2 3.61Å; L267-Y271 WeakPolarHBondContact O-CD2 3.39Å; L267-Y271 PolarHBondContact O-N 3.01Å
268H89.9Confident77.6Confident42 Ų4275.4 Ų75.419%0.19440%0.401CS..Hα-helixtrans-71.2-32.4179.1-74.6137.4000113.9C244 I246 C247 C265 R270 Y271 N272C244-H268 PolarHBondContact SG-ND1 2.85Å; C244-H268 VanDerWaalsContact SG-ND1 3.35Å; I246-H268 HydrophobicContact CB-CB 4.43Å; I246-H268 HydrophobicContact CD1-CB 3.53Å; C247-H268 VanDerWaalsContact CB-CE1 3.48Å; C247-H268 WeakPolarHBondContact CB-CE1 3.43Å; C247-H268 PolarHBondContact SG-CE1 3.07Å; C265-H268 PolarHBondContact O-N 3.4Å; C265-H268 VanDerWaalsContact SG-CG 3.57Å; C265-H268 PolarHBondContact SG-N 3.23Å; C265-H268 VanDerWaalsContact SG-N 3.41Å; C265-H268 PolarHBondContact SG-ND1 3.31Å; H268-R270 VanDerWaalsContact C-N 3.27Å; H268-R270 PolarHBondContact O-N 2.85Å; H268-Y271 PolarHBondContact O-N 3.35Å; H268-N272 VanDerWaalsContact O-CB 3.32Å; H268-N272 WeakPolarHBondContact O-CB 3.07Å; H268-N272 PolarHBondContact O-N 3.08Å
269F88.2Confident75.1Confident33 Ų3382.8 Ų82.815%0.14544%0.437CS..Hα-helixtrans-58.7-44.5171.8-177.5-108.4000110.7P86 I257 Q259 C265 Y271 L273P86-F269 HydrophobicContact CB-CZ 4.05Å; P86-F269 HydrophobicContact CG-CZ 4.03Å; I257-F269 HydrophobicContact CB-CB 4.31Å; I257-F269 HydrophobicContact CB-CD2 4.23Å; I257-F269 HydrophobicContact CB-CG 4.19Å; I257-F269 HydrophobicContact CD1-CB 3.56Å; I257-F269 HydrophobicContact CD1-CD1 3.37Å; I257-F269 HydrophobicContact CD1-CD2 4.29Å; I257-F269 HydrophobicContact CD1-CE1 4.1Å; I257-F269 HydrophobicContact CD1-CG 3.48Å; I257-F269 VanDerWaalsContact CD1-CG 3.48Å; I257-F269 HydrophobicContact CG1-CB 4.45Å; I257-F269 HydrophobicContact CG1-CG 4.41Å; I257-F269 HydrophobicContact CG2-CB 4.42Å; I257-F269 HydrophobicContact CG2-CD1 4.24Å; I257-F269 HydrophobicContact CG2-CD2 3.47Å; I257-F269 VanDerWaalsContact CG2-CD2 3.47Å; I257-F269 HydrophobicContact CG2-CE1 4.36Å; I257-F269 HydrophobicContact CG2-CE2 3.66Å; I257-F269 HydrophobicContact CG2-CG 3.79Å; I257-F269 HydrophobicContact CG2-CZ 4.11Å; Q259-F269 HydrophobicContact CB-CD2 4.35Å; Q259-F269 HydrophobicContact CB-CE2 4.3Å; Q259-F269 HydrophobicContact CG-CE2 4.33Å; C265-F269 PolarHBondContact O-N 3.5Å; F269-Y271 PolarHBondContact O-N 3.37Å; F269-L273 HydrophobicContact CD1-CD1 3.73Å; F269-L273 HydrophobicContact CE1-CD1 3.44Å; F269-L273 VanDerWaalsContact CE1-CD1 3.44Å; F269-L273 HydrophobicContact CE1-CG 4.38Å; F269-L273 HydrophobicContact CE2-CD1 4.34Å; F269-L273 HydrophobicContact CE2-CG 4.47Å; F269-L273 HydrophobicContact CG-CD1 4.33Å; F269-L273 HydrophobicContact CZ-CD1 3.76Å; F269-L273 HydrophobicContact CZ-CD2 4.4Å; F269-L273 HydrophobicContact CZ-CG 4.28Å; F269-L273 WeakPolarHBondContact O-CD1 3.26Å; F269-L273 VanDerWaalsContact O-CG 3.27Å; F269-L273 WeakPolarHBondContact O-CG 3.37Å; F269-L273 PolarHBondContact O-N 3.4Å; F269-L273 VanDerWaalsContact O-N 3.12Å
270R86.8Confident74.6Confident158 Ų15885.3 Ų85.360%0.59645%0.451SS*.Hα-helixtrans-62.9-42178.6-166.7167.768.5171.73.6112.2A266 L267 H268A266-R270 WeakPolarHBondContact O-CB 3.15Å; A266-R270 PolarHBondContact O-N 2.93Å; A266-R270 VanDerWaalsContact O-N 3.11Å; L267-R270 PolarHBondContact O-N 3.13Å; H268-R270 VanDerWaalsContact C-N 3.27Å; H268-R270 PolarHBondContact O-N 2.85Å
271Y84Confident74.1Confident126 Ų12682 Ų8249%0.49443%0.433SS..Hα-helixtrans-77.2-34.9178.9-67.7-61.6000114.2L267 H268 F269 L273 D274L267-Y271 HydrophobicContact CD1-CD2 4.23Å; L267-Y271 HydrophobicContact CD1-CE2 3.44Å; L267-Y271 VanDerWaalsContact CD1-CE2 3.44Å; L267-Y271 HydrophobicContact CD2-CE2 4.41Å; L267-Y271 HydrophobicContact CG-CD2 4.02Å; L267-Y271 HydrophobicContact CG-CE2 3.61Å; L267-Y271 WeakPolarHBondContact O-CD2 3.39Å; L267-Y271 PolarHBondContact O-N 3.01Å; H268-Y271 PolarHBondContact O-N 3.35Å; F269-Y271 PolarHBondContact O-N 3.37Å; Y271-L273 VanDerWaalsContact C-N 3.33Å; Y271-D274 WeakPolarHBondContact O-CB 3.47Å; Y271-D274 PolarHBondContact O-N 3.28Å
272N69.6Low73.5Confident53 Ų5383.1 Ų83.128%0.28342%0.421SS..Hα-helixtrans-75.1-23.1178.6-95.3-15.1000113I246 H268 D274 I275 I276I246-N272 WeakPolarHBondContact CD1-ND2 3.44Å; H268-N272 VanDerWaalsContact O-CB 3.32Å; H268-N272 WeakPolarHBondContact O-CB 3.07Å; H268-N272 PolarHBondContact O-N 3.08Å; N272-D274 PolarHBondContact O-N 3.1Å; N272-I275 PolarHBondContact O-N 3.37Å; N272-I275 VanDerWaalsContact O-N 3.16Å; N272-I276 VanDerWaalsContact O-CG1 3.32Å; N272-I276 WeakPolarHBondContact O-CG1 3.22Å; N272-I276 PolarHBondContact O-N 3.36Å; N272-I276 VanDerWaalsContact O-N 3.13Å
273L65.2Low72.7Confident58 Ų5885.2 Ų85.230%0.30443%0.427SS..Hα-helixtrans-58.6-31.2168.5-81.7161.9000111.7F269 Y271 I275 N277F269-L273 HydrophobicContact CD1-CD1 3.73Å; F269-L273 HydrophobicContact CE1-CD1 3.44Å; F269-L273 VanDerWaalsContact CE1-CD1 3.44Å; F269-L273 HydrophobicContact CE1-CG 4.38Å; F269-L273 HydrophobicContact CE2-CD1 4.34Å; F269-L273 HydrophobicContact CE2-CG 4.47Å; F269-L273 HydrophobicContact CG-CD1 4.33Å; F269-L273 HydrophobicContact CZ-CD1 3.76Å; F269-L273 HydrophobicContact CZ-CD2 4.4Å; F269-L273 HydrophobicContact CZ-CG 4.28Å; F269-L273 WeakPolarHBondContact O-CD1 3.26Å; F269-L273 VanDerWaalsContact O-CG 3.27Å; F269-L273 WeakPolarHBondContact O-CG 3.37Å; F269-L273 PolarHBondContact O-N 3.4Å; F269-L273 VanDerWaalsContact O-N 3.12Å; Y271-L273 VanDerWaalsContact C-N 3.33Å; L273-I275 VanDerWaalsContact C-N 3.3Å; L273-I275 PolarHBondContact O-N 3.2Å; L273-N277 WeakPolarHBondContact O-CB 3.46Å; L273-N277 PolarHBondContact O-N 2.94Å
274D54Low71.6Confident105 Ų10589.1 Ų89.156%0.56145%0.448SS*.Hα-helixtrans-75.2-20.6179.6-58-31.4000112.4Y271 N272 V278Y271-D274 WeakPolarHBondContact O-CB 3.47Å; Y271-D274 PolarHBondContact O-N 3.28Å; N272-D274 PolarHBondContact O-N 3.1Å; D274-V278 WeakPolarHBondContact O-CG2 3.38Å
275I54.6Low70.3Confident115 Ų11594.7 Ų94.759%0.5948%0.476SS*.Hα-helixtrans-89.5-33.1176.6-55.5-178.6000111N272 L273N272-I275 PolarHBondContact O-N 3.37Å; N272-I275 VanDerWaalsContact O-N 3.16Å; L273-I275 VanDerWaalsContact C-N 3.3Å; L273-I275 PolarHBondContact O-N 3.2Å
276I55.2Low68.7Low80 Ų80100.2 Ų100.241%0.4150%0.501SS..Hα-helixtrans-82.9-22.3-175.5-59164.9000112N272N272-I276 VanDerWaalsContact O-CG1 3.32Å; N272-I276 WeakPolarHBondContact O-CG1 3.22Å; N272-I276 PolarHBondContact O-N 3.36Å; N272-I276 VanDerWaalsContact O-N 3.13Å
277N50.5Low67.2Low129 Ų129104.3 Ų104.369%0.6951%0.51SS*.THydrogen-bonded Turntrans-89.98.4176.4-77.9-17.6000114.4L273L273-N277 WeakPolarHBondContact O-CB 3.46Å; L273-N277 PolarHBondContact O-N 2.94Å
278V48.8Very low65.3Low125 Ų125105.2 Ų105.276%0.75851%0.511SS*.THydrogen-bonded Turntrans-109.72.7-179.9179.80000112.5D274D274-V278 WeakPolarHBondContact O-CG2 3.38Å
279Q36.5Very low63Low238 Ų238110.9 Ų110.9100%1.11254%0.54SS*.  trans-1080171.1-80.7-179.1-28.500111.7

Retrieved 279 of 279 residues in 87.1 ms (Link to these results)