A0A5K4FCM6_SCHMA Loading...

Ribosomal protein S6 kinase

AlphaFold DB , UniProt , Accession A0A5K4FCM6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 804 aa.

						>A0A5K4FCM6_SCHMA|A0A5K4FCM6
MPLAHLGQPFLKASDVTNECISIDDAPDVGCQKVDVAEVEVNIENLAHNTEKVDPSCFDLLYVIGQGSFGKVFLVRKNNGKDKGTLYAMKVLKKAVLKVRDRLRTKLERDILTRIKHPYIVDLHYAFQTEGKVYLILEFLRGGDLFSRLSKEYMFTEDDVKFYLAEIALALNYLHSHGIVYRDLKPENVLLNEDGHVRLTDFGLSKESIFESAGDRTYSFCGTVEYMAPEVVSRHGHGTAADWWSFGVLMYELLTGMLPFHSESRKDTMQMILKAKLSMPQFLSPSAQSLLRALFKRTPSNRLGYGPDGFEHLKNHEFFNTINWDDLLNGCIQPPFKPPCSSINDILNFDSEYTSRTPHDSPCPPASASAHALFREFSYVAPGFFAEHNNNNHNTTTTNSCNNHVNLNKEVLNGTNTTCLSSPKEKFNYNSRHDDDRANPAHVPEDLPPLTPTVARRFLRLAGLSGVKYKPFSVDYVLLEEINKGSFSVVHKCCHRNTNAVCCVKIIDKSKRDAREEVEILLRHHNHPNIVSVRDVYENENLVYLVMEYLKGGELLDKIFREKFLSEREASNITYVIANTLSYLHSNMVVHRDLKPSNVLYADDSGDISSLRICDFGFAKQLRAENGLLMTPCYTANFVAPEVLKMQGYHAACDVWSLGVIMYTMLFGQTPFAIKPNESSEVVLSRIESGRLDLINKNWNKISDLAKDLLTKMLNPEPSKRCTASAILSHPWIKNRDQLSPELLTDVLLNDVSQTKNSVEATFRALNSTSKIPILEPVECSTLAQRRVRAKSILTNQIKVEERH
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	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
1	M	26.7	Very low	28	Very low	123 Å²	123	131.4 Å²	131.4	61%	0.606	73%	0.731	S	S	*	*				0	128.5	0	-167.8	174.2	177.8	0	0	109.1	R265	M1-R265 PolarHBondContact SD-NE 2.93Å; M1-R265 PolarHBondContact SD-NH2 2.91Å
2	P	29.3	Very low	27.8	Very low	101 Å²	101	136.6 Å²	136.6	66%	0.656	74%	0.74	S	S	*	*			trans	-67.7	166.1	179.5	-17.2	31.2	0	0	0	113.2	A4	P2-A4 PolarHBondContact O-N 3.46Å
3	L	29.6	Very low	27.9	Very low	127 Å²	127	133.1 Å²	133.1	67%	0.665	74%	0.741	S	S	*	*			trans	-71.6	118.6	179.9	-79	163	0	0	0	112.7
4	A	27.3	Very low	28.1	Very low	66 Å²	66	130.6 Å²	130.6	55%	0.545	74%	0.737	S	S	.	*			trans	40.9	123.1	151.2	0	0	0	0	0	120.9	P2	P2-A4 PolarHBondContact O-N 3.46Å
5	H	27.8	Very low	28.1	Very low	185 Å²	185	132.3 Å²	132.3	86%	0.856	74%	0.743	S	S	*	*			trans	-97.1	128.2	132.1	-88.5	-80.8	0	0	0	109.2
6	L	27	Very low	28.3	Very low	162 Å²	162	133.2 Å²	133.2	85%	0.848	75%	0.753	S	S	*	*			trans	-90.1	133.4	162.5	-105.6	140	0	0	0	107.6
7	G	30.4	Very low	28.1	Very low	71 Å²	71	132.3 Å²	132.3	73%	0.732	75%	0.751	S	S	*	*			trans	-163.2	109.4	172.9	0	0	0	0	0	108.2
8	Q	25.3	Very low	28.1	Very low	151 Å²	151	132.3 Å²	132.3	71%	0.706	75%	0.749	S	S	*	*			trans	-71.8	164.8	179.5	-64.8	176	-29.2	0	0	110.7
9	P	29.3	Very low	28.2	Very low	129 Å²	129	134.3 Å²	134.3	84%	0.838	75%	0.751	S	S	*	*				-131.2	164	93.5	25.4	-9.1	0	0	0	114.8
10	F	25.3	Very low	27.9	Very low	169 Å²	169	134 Å²	134	74%	0.741	76%	0.757	S	S	*	*			trans	-61.5	154	-176.2	-72.5	-112	0	0	0	114.4
11	L	29.5	Very low	27.9	Very low	161 Å²	161	134.4 Å²	134.4	84%	0.843	76%	0.756	S	S	*	*				-168.7	110.8	117.5	-100.2	160.8	0	0	0	113.8
12	K	26.2	Very low	28.1	Very low	194 Å²	194	133.3 Å²	133.3	84%	0.843	76%	0.76	S	S	*	*			trans	14.7	121.5	155.2	-61.7	178.9	176.7	-177.8	0	122.1
13	A	29.4	Very low	28.1	Very low	91 Å²	91	135.8 Å²	135.8	75%	0.752	77%	0.766	S	S	*	*				-170.7	96	128.2	0	0	0	0	0	108
14	S	30.4	Very low	28.2	Very low	98 Å²	98	136.9 Å²	136.9	69%	0.685	77%	0.773	S	S	*	*				77.2	108.3	103.7	65.4	0	0	0	0	115.2
15	D	27.6	Very low	28.3	Very low	156 Å²	156	141.2 Å²	141.2	83%	0.834	79%	0.787	S	S	*	*			trans	56.2	104.5	148.4	-44.8	-31.9	0	0	0	120
16	V	31.1	Very low	28.7	Very low	147 Å²	147	136.9 Å²	136.9	89%	0.891	78%	0.783	S	S	*	*				-160.5	140.4	105.8	167.9	0	0	0	0	107.9
17	T	25.8	Very low	28.9	Very low	118 Å²	118	134.8 Å²	134.8	72%	0.724	78%	0.779	S	S	*	*			trans	-91.6	164.5	-178.1	48.9	0	0	0	0	113.8
18	N	28.3	Very low	28.8	Very low	133 Å²	133	139 Å²	139	71%	0.711	79%	0.785	S	S	*	*			trans	105.3	135.5	155.9	-69.9	14.3	0	0	0	120.9
19	E	28.6	Very low	29.3	Very low	169 Å²	169	138 Å²	138	79%	0.79	79%	0.788	S	S	*	*			trans	86.8	119.8	145.6	-76.9	153.2	-135.3	0	0	122.2
20	C	24	Very low	29.3	Very low	128 Å²	128	135.3 Å²	135.3	87%	0.865	78%	0.784	S	S	*	*			trans	-94.7	142.2	168.7	-58	0	0	0	0	109.7
21	I	27.4	Very low	29.4	Very low	144 Å²	144	133.3 Å²	133.3	74%	0.738	79%	0.79	S	S	*	*			trans	-141.6	97.4	163.1	-60.7	-176.1	0	0	0	104.5
22	S	30.1	Very low	29.5	Very low	99 Å²	99	134.2 Å²	134.2	69%	0.692	79%	0.79	S	S	*	*				69.2	145.7	82.7	69.1	0	0	0	0	114.3
23	I	29.2	Very low	29.6	Very low	154 Å²	154	134.2 Å²	134.2	79%	0.79	79%	0.79	S	S	*	*			trans	-82.6	136.2	178.5	-66.6	164.8	0	0	0	107.2	D25	I23-D25 PolarHBondContact O-N 3.17Å; I23-D25 VanDerWaalsContact O-N 3.17Å
24	D	31.9	Very low	29.6	Very low	149 Å²	149	136.1 Å²	136.1	80%	0.797	79%	0.792	S	S	*	*			trans	-72.9	105.3	178.3	-60.8	-55.2	0	0	0	110.9
25	D	30.2	Very low	29.5	Very low	157 Å²	157	138.6 Å²	138.6	84%	0.84	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-78	117.4	157.4	-74.1	-48.6	0	0	0	108.2	I23	I23-D25 PolarHBondContact O-N 3.17Å; I23-D25 VanDerWaalsContact O-N 3.17Å
26	A	35.2	Very low	29.6	Very low	95 Å²	95	137.4 Å²	137.4	79%	0.785	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-79.6	137.3	173.3	0	0	0	0	0	110.4
27	P	32.2	Very low	29.5	Very low	117 Å²	117	134.9 Å²	134.9	76%	0.76	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-77	142.7	-177.5	30.9	-34.6	0	0	0	112.6	V29	P27-V29 PolarHBondContact O-N 3.36Å
28	D	28.5	Very low	29.6	Very low	159 Å²	159	138.3 Å²	138.3	85%	0.85	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-65.3	123.1	175.2	-173.7	14.5	0	0	0	111.5
29	V	35.8	Very low	29.7	Very low	130 Å²	130	137.8 Å²	137.8	79%	0.788	80%	0.799	S	S	*	*			trans	-131.9	99.2	172.1	-177.3	0	0	0	0	108	P27	P27-V29 PolarHBondContact O-N 3.36Å
30	G	28.4	Very low	29.6	Very low	73 Å²	73	139 Å²	139	75%	0.753	81%	0.805	S	S	*	*			trans	-64.8	138.1	-172.3	0	0	0	0	0	114.2
31	C	28.6	Very low	29.9	Very low	128 Å²	128	137.5 Å²	137.5	87%	0.865	79%	0.792	S	S	*	*			trans	-127.8	157.8	158.6	-159.2	0	0	0	0	109.5
32	Q	31.4	Very low	29.9	Very low	179 Å²	179	135.4 Å²	135.4	84%	0.836	78%	0.782	S	S	*	*			trans	-73.2	139.7	-154.5	-67.7	163	-16.8	0	0	113.8
33	K	26.8	Very low	30.2	Very low	194 Å²	194	137 Å²	137	84%	0.843	78%	0.782	S	S	*	*			trans	-65	132.6	170	-68.5	-174.7	175.4	-172.3	0	110.2
34	V	31.3	Very low	30.4	Very low	131 Å²	131	136.7 Å²	136.7	79%	0.794	78%	0.777	S	S	*	*			trans	-113.5	117.1	160.1	177.9	0	0	0	0	106.4	V36	V34-V36 PolarHBondContact O-N 3.12Å
35	D	26.9	Very low	30.2	Very low	151 Å²	151	136.2 Å²	136.2	81%	0.807	77%	0.774	S	S	*	*			trans	-70.9	118.2	-175.6	-63.2	-53	0	0	0	111.1
36	V	30.2	Very low	30.3	Very low	130 Å²	130	134.6 Å²	134.6	79%	0.788	77%	0.765	S	S	*	*			trans	-118.5	120.4	161.5	-176.1	0	0	0	0	106.4	V34 E38	V34-V36 PolarHBondContact O-N 3.12Å; V36-E38 PolarHBondContact O-N 2.93Å
37	A	28.1	Very low	30.2	Very low	95 Å²	95	133.1 Å²	133.1	79%	0.785	75%	0.753	S	S	*	*			trans	-69.1	102.6	-170.1	0	0	0	0	0	112	V39	A37-V39 PolarHBondContact O-N 3.29Å
38	E	28.8	Very low	30	Very low	190 Å²	190	135.3 Å²	135.3	89%	0.888	75%	0.753	S	S	*	*			trans	-71.6	115.6	165	-69.2	-170.5	150.3	0	0	109.4	V36 E40	V36-E38 PolarHBondContact O-N 2.93Å; E38-E40 PolarHBondContact O-N 3.33Å
39	V	30.2	Very low	30.3	Very low	121 Å²	121	135.5 Å²	135.5	73%	0.733	75%	0.754	S	S	*	*			trans	-75.1	114.9	170.9	175.9	0	0	0	0	107.9	A37 V41	A37-V39 PolarHBondContact O-N 3.29Å; V39-V41 HydrophobicContact CG1-CG2 4.4Å; V39-V41 PolarHBondContact O-N 3.38Å
40	E	26.7	Very low	31	Very low	195 Å²	195	133.2 Å²	133.2	91%	0.911	74%	0.74	S	S	*	*			trans	-61.7	96	170.3	-77.5	-171.9	129.5	0	0	110.4	E38 N42	E38-E40 PolarHBondContact O-N 3.33Å; E40-N42 PolarHBondContact O-N 2.92Å
41	V	29.7	Very low	32.5	Very low	96 Å²	96	135.9 Å²	135.9	58%	0.582	73%	0.733	S	S	*	*			trans	-82.2	104.4	169.8	-175.5	0	0	0	0	108.1	V39 I43 L46	V39-V41 HydrophobicContact CG1-CG2 4.4Å; V39-V41 PolarHBondContact O-N 3.38Å; V41-I43 PolarHBondContact O-N 3.21Å; V41-L46 HydrophobicContact CG1-CD1 3.74Å
42	N	27.2	Very low	34.7	Very low	100 Å²	100	138.6 Å²	138.6	54%	0.535	73%	0.73	S	S	.	*			trans	-61	111.3	-179.8	-172.9	-4.6	0	0	0	111.1	E40 E44 N45	E40-N42 PolarHBondContact O-N 2.92Å; N42-E44 PolarHBondContact O-N 3.05Å; N42-E44 VanDerWaalsContact O-N 3.16Å; N42-E44 PolarHBondContact OD1-N 2.86Å; N42-N45 PolarHBondContact O-N 3.23Å
43	I	36.8	Very low	37.2	Very low	133 Å²	133	131 Å²	131	68%	0.682	70%	0.696	S	S	*	*	G	3₁₀ helix	trans	-65.5	-20.2	-168.6	-64.6	176.3	0	0	0	112.7	V41 N45 L46	V41-I43 PolarHBondContact O-N 3.21Å; I43-N45 PolarHBondContact O-N 3.47Å; I43-N45 VanDerWaalsContact O-N 3.13Å; I43-L46 PolarHBondContact O-N 3.43Å; I43-L46 VanDerWaalsContact O-N 3.16Å
44	E	32.8	Very low	40.2	Very low	148 Å²	148	124.7 Å²	124.7	69%	0.692	67%	0.671	S	S	*	*	G	3₁₀ helix	trans	-60.9	-24.7	-178.1	-62.6	-175	156.6	0	0	113.4	N42	N42-E44 PolarHBondContact O-N 3.05Å; N42-E44 VanDerWaalsContact O-N 3.16Å; N42-E44 PolarHBondContact OD1-N 2.86Å
45	N	29.3	Very low	42.9	Very low	139 Å²	139	120.4 Å²	120.4	74%	0.743	65%	0.646	S	S	*	*	G	3₁₀ helix	trans	-93	-4.7	179.8	-73.4	-34.9	0	0	0	115.3	N42 I43	N42-N45 PolarHBondContact O-N 3.23Å; I43-N45 PolarHBondContact O-N 3.47Å; I43-N45 VanDerWaalsContact O-N 3.13Å
46	L	31.2	Very low	46	Very low	123 Å²	123	117.1 Å²	117.1	64%	0.644	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.2	-15	177.8	-83.7	145.2	0	0	0	113.4	V41 I43 H48	V41-L46 HydrophobicContact CG1-CD1 3.74Å; I43-L46 PolarHBondContact O-N 3.43Å; I43-L46 VanDerWaalsContact O-N 3.16Å; L46-H48 VanDerWaalsContact C-N 3.29Å; L46-H48 PolarHBondContact O-N 3.27Å
47	A	32.9	Very low	49	Very low	64 Å²	64	111.1 Å²	111.1	53%	0.529	60%	0.599	S	S	.	*	G	3₁₀ helix	trans	-77.4	-6	-175.8	0	0	0	0	0	115.1
48	H	29.8	Very low	52.1	Low	163 Å²	163	107 Å²	107	76%	0.755	56%	0.563	S	S	*	*	G	3₁₀ helix	trans	-87.5	-0.5	-168.1	-87.4	-63.2	0	0	0	116.5	L46	L46-H48 VanDerWaalsContact C-N 3.29Å; L46-H48 PolarHBondContact O-N 3.27Å
49	N	33.8	Very low	55.2	Low	163 Å²	163	101.3 Å²	101.3	87%	0.872	54%	0.539	S	S	*	.	G	3₁₀ helix	trans	-133.3	12.4	-177.7	-102.5	-11.6	0	0	0	115.6
50	T	50.5	Low	58.2	Low	82 Å²	82	98.4 Å²	98.4	50%	0.503	52%	0.519	S	S	.	.	S	Bend	trans	-91.7	119.3	174.2	55.8	0	0	0	0	111.1	K52 F385	T50-K52 PolarHBondContact O-N 2.98Å; T50-K52 VanDerWaalsContact O-N 3.12Å; T50-F385 HydrophobicContact CG2-CE1 4.1Å; T50-F385 HydrophobicContact CG2-CZ 4.41Å
51	E	60	Low	61.2	Low	129 Å²	129	91.1 Å²	91.1	60%	0.603	49%	0.486	S	S	*	.			trans	-56.3	118.3	171.2	-75	-169.7	144.6	0	0	110.2	V53	E51-V53 PolarHBondContact O-N 3.17Å; E51-V53 VanDerWaalsContact O-N 3.13Å
52	K	74.2	Confident	64.1	Low	184 Å²	184	90.6 Å²	90.6	80%	0.8	47%	0.474	S	S	*	.			trans	-73	105.2	176.7	-177.1	-177	176.9	-175	0	109.1	T50	T50-K52 PolarHBondContact O-N 2.98Å; T50-K52 VanDerWaalsContact O-N 3.12Å
53	V	85.5	Confident	66.9	Low	21 Å²	21	85.8 Å²	85.8	13%	0.127	45%	0.448	C	S	.	.			trans	-85.2	131.4	178.5	-176.6	0	0	0	0	110.9	E51 C57 F58 Y125 F127 V380	E51-V53 PolarHBondContact O-N 3.17Å; E51-V53 VanDerWaalsContact O-N 3.13Å; V53-C57 HydrophobicContact CG1-CB 4.29Å; V53-F58 HydrophobicContact CG1-CE2 3.57Å; V53-F58 HydrophobicContact CG1-CZ 4.02Å; V53-Y125 HydrophobicContact CB-CD1 4.34Å; V53-Y125 HydrophobicContact CG1-CD1 4.14Å; V53-Y125 HydrophobicContact CG1-CG 4.44Å; V53-Y125 HydrophobicContact CG2-CD1 3.86Å; V53-Y125 HydrophobicContact CG2-CE1 3.9Å; V53-F127 HydrophobicContact CB-CD1 4.5Å; V53-F127 HydrophobicContact CG1-CD1 3.87Å; V53-F127 HydrophobicContact CG1-CE1 3.86Å; V53-V380 HydrophobicContact CG2-CG2 4.29Å
54	D	89.4	Confident	69.3	Low	61 Å²	61	80.3 Å²	80.3	33%	0.326	42%	0.42	S	S	.	.			trans	-143.3	176.1	177.5	77.9	57.7	0	0	0	110.8	S56 C57	D54-S56 PolarHBondContact O-N 3.3Å; D54-S56 VanDerWaalsContact O-N 3.1Å; D54-S56 VanDerWaalsContact OD1-CB 3.27Å; D54-S56 WeakPolarHBondContact OD1-CB 3.32Å; D54-S56 PolarHBondContact OD1-N 2.86Å; D54-S56 PolarHBondContact OD1-OG 3.46Å; D54-C57 VanDerWaalsContact O-CB 3.31Å; D54-C57 WeakPolarHBondContact O-CB 3.28Å; D54-C57 PolarHBondContact O-N 3.3Å; D54-C57 VanDerWaalsContact O-N 3.09Å; D54-C57 PolarHBondContact O-SG 2.88Å
55	P	88.4	Confident	71.5	Confident	40 Å²	40	73.9 Å²	73.9	26%	0.26	39%	0.394	S	S	.	.	G	3₁₀ helix	trans	-54.8	-29.3	-176.8	-23.1	30.9	0	0	0	115.2	C57 F58 F127 T129 Y134	P55-C57 PolarHBondContact O-N 3.27Å; P55-F58 PolarHBondContact O-N 3.41Å; P55-F127 HydrophobicContact CB-CE2 4.45Å; P55-F127 HydrophobicContact CG-CE2 3.84Å; P55-T129 HydrophobicContact CG-CG2 4.15Å; P55-Y134 HydrophobicContact CB-CE1 4.44Å; P55-Y134 HydrophobicContact CG-CE1 4.1Å; P55-Y134 HydrophobicContact CG-CE2 4.04Å
56	S	91.1	Very high	73.9	Confident	82 Å²	82	71.7 Å²	71.7	57%	0.573	38%	0.379	S	S	*	.	G	3₁₀ helix	trans	-68.5	-15.5	-179.3	68.7	0	0	0	0	113.8	D54 F58 N78	D54-S56 PolarHBondContact O-N 3.3Å; D54-S56 VanDerWaalsContact O-N 3.1Å; D54-S56 VanDerWaalsContact OD1-CB 3.27Å; D54-S56 WeakPolarHBondContact OD1-CB 3.32Å; D54-S56 PolarHBondContact OD1-N 2.86Å; D54-S56 PolarHBondContact OD1-OG 3.46Å; S56-F58 PolarHBondContact O-N 3.03Å; S56-N78 PolarHBondContact O-ND2 3.48Å; S56-N78 PolarHBondContact O-OD1 2.97Å
57	C	92.7	Very high	75.6	Confident	4 Å²	4	68.1 Å²	68.1	3%	0.027	37%	0.372	C	S	.	.	G	3₁₀ helix	trans	-74.1	-1.1	175.1	-58.1	0	0	0	0	113.5	V53 D54 P55 N78 N79	V53-C57 HydrophobicContact CG1-CB 4.29Å; D54-C57 VanDerWaalsContact O-CB 3.31Å; D54-C57 WeakPolarHBondContact O-CB 3.28Å; D54-C57 PolarHBondContact O-N 3.3Å; D54-C57 VanDerWaalsContact O-N 3.09Å; D54-C57 PolarHBondContact O-SG 2.88Å; P55-C57 PolarHBondContact O-N 3.27Å; C57-N78 VanDerWaalsContact C-CG 3.48Å; C57-N78 VanDerWaalsContact CA-OD1 3.31Å; C57-N78 WeakPolarHBondContact CA-OD1 3.32Å; C57-N78 PolarHBondContact O-N 3.46Å; C57-N78 PolarHBondContact O-OD1 3.26Å; C57-N79 WeakPolarHBondContact CB-OD1 3.3Å; C57-N79 PolarHBondContact SG-ND2 3.32Å
58	F	94.3	Very high	76.9	Confident	10 Å²	10	69.2 Å²	69.2	4%	0.044	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	124.8	-170.7	-61.1	-84.8	0	0	0	112.7	V53 P55 S56 V75 R76 K77 Y87 M89 Y125 F127 I136	V53-F58 HydrophobicContact CG1-CE2 3.57Å; V53-F58 HydrophobicContact CG1-CZ 4.02Å; P55-F58 PolarHBondContact O-N 3.41Å; S56-F58 PolarHBondContact O-N 3.03Å; F58-V75 HydrophobicContact CB-CB 4.15Å; F58-V75 HydrophobicContact CB-CG2 4.22Å; F58-V75 HydrophobicContact CD1-CB 4.49Å; F58-V75 HydrophobicContact CD1-CG2 3.73Å; F58-V75 HydrophobicContact CG-CG2 4.27Å; F58-R76 CarbonylContact C-O 3.58Å; F58-R76 WeakPolarHBondContact CA-O 3.39Å; F58-K77 HydrophobicContact CD1-CB 4.46Å; F58-K77 HydrophobicContact CD1-CD 4.14Å; F58-K77 HydrophobicContact CE1-CB 4.38Å; F58-K77 HydrophobicContact CE1-CD 3.56Å; F58-K77 HydrophobicContact CZ-CD 3.87Å; F58-Y87 HydrophobicContact CE1-CD2 4.1Å; F58-M89 HydrophobicContact CB-CE 3.58Å; F58-M89 HydrophobicContact CD1-CE 4.49Å; F58-M89 HydrophobicContact CD2-CE 3.8Å; F58-M89 HydrophobicContact CG-CE 3.71Å; F58-Y125 HydrophobicContact CE1-CD2 4.49Å; F58-Y125 AromaticContact CZ-CD2 3.97Å; F58-Y125 HydrophobicContact CZ-CD2 3.97Å; F58-Y125 HydrophobicContact CZ-CE2 4.31Å; F58-Y125 HydrophobicContact CZ-CG 4.4Å; F58-F127 HydrophobicContact CD2-CE1 4.26Å; F58-F127 HydrophobicContact CD2-CZ 4.04Å; F58-F127 AromaticContact CE2-CE1 3.55Å; F58-F127 HydrophobicContact CE2-CE1 3.55Å; F58-F127 AromaticContact CE2-CZ 3.8Å; F58-F127 HydrophobicContact CE2-CZ 3.8Å; F58-F127 HydrophobicContact CZ-CE1 4.29Å; F58-I136 HydrophobicContact CE1-CD1 4.47Å; F58-I136 HydrophobicContact CE1-CG1 4.34Å; F58-I136 HydrophobicContact CE1-CG2 3.89Å; F58-I136 HydrophobicContact CE2-CD1 4.3Å; F58-I136 HydrophobicContact CE2-CG1 4.23Å; F58-I136 HydrophobicContact CZ-CD1 4.22Å; F58-I136 HydrophobicContact CZ-CG1 3.86Å; F58-I136 HydrophobicContact CZ-CG2 4.13Å
59	D	93.8	Very high	78.7	Confident	70 Å²	70	65.1 Å²	65.1	37%	0.374	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	121.6	173.5	-49.9	-32.4	0	0	0	109.3	L61 V75 R76 N78	D59-L61 PolarHBondContact O-N 3.35Å; D59-V75 CarbonylContact O-C 3.55Å; D59-V75 WeakPolarHBondContact O-CA 3.27Å; D59-V75 WeakPolarHBondContact O-CB 3.36Å; D59-R76 HydrophobicContact CB-CB 4.42Å; D59-R76 PolarHBondContact N-O 3.43Å; D59-R76 PolarHBondContact O-N 2.88Å; D59-N78 WeakPolarHBondContact OD1-CB 3.47Å; D59-N78 PolarHBondContact OD1-ND2 3.38Å
60	L	92.5	Very high	80.7	Confident	60 Å²	60	58.4 Å²	58.4	31%	0.314	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	113.7	179.1	-70.3	160.6	0	0	0	110.5	F73 V75 M89 P358 D360	L60-F73 HydrophobicContact CD2-CB 3.72Å; L60-F73 HydrophobicContact CD2-CD1 3.75Å; L60-F73 HydrophobicContact CD2-CD2 3.99Å; L60-F73 HydrophobicContact CD2-CE1 4.26Å; L60-F73 HydrophobicContact CD2-CE2 4.48Å; L60-F73 HydrophobicContact CD2-CG 3.57Å; L60-V75 HydrophobicContact CD2-CG1 3.78Å; L60-M89 HydrophobicContact CD2-SD 4.2Å; L60-P358 HydrophobicContact CB-CB 4.14Å; L60-P358 WeakPolarHBondContact CB-O 3.38Å; L60-P358 WeakPolarHBondContact O-CG 3.32Å; L60-D360 HydrophobicContact CD1-CB 4.08Å
61	L	90	Very high	82.4	Confident	41 Å²	41	57.1 Å²	57.1	22%	0.215	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	-50.6	-175.9	-57.7	-174.7	0	0	0	113.5	D59 L74 R76 L86 P358	D59-L61 PolarHBondContact O-N 3.35Å; L61-L74 HydrophobicContact CB-CG 4.32Å; L61-L74 WeakPolarHBondContact CB-O 3.47Å; L61-L74 HydrophobicContact CD1-CG 4.31Å; L61-L74 PolarHBondContact N-O 3.1Å; L61-R76 HydrophobicContact CD1-CB 4.14Å; L61-R76 HydrophobicContact CG-CB 4.43Å; L61-L86 HydrophobicContact CD1-CD2 3.61Å; L61-P358 WeakPolarHBondContact O-CG 3.47Å
62	Y	89.7	Confident	83.8	Confident	85 Å²	85	52.8 Å²	52.8	33%	0.333	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	151.8	-178	-62.6	-79.7	0	0	0	110.9	F73 L74 I346 T354	Y62-F73 CarbonylContact O-C 3.58Å; Y62-F73 WeakPolarHBondContact O-CA 3.43Å; Y62-L74 HydrophobicContact CD2-CD2 4.06Å; Y62-L74 PolarHBondContact N-O 2.87Å; Y62-L74 PolarHBondContact O-N 2.78Å; Y62-I346 HydrophobicContact CD1-CD1 3.76Å; Y62-I346 HydrophobicContact CD2-CD1 4.34Å; Y62-I346 HydrophobicContact CD2-CG2 3.87Å; Y62-I346 HydrophobicContact CE1-CD1 3.65Å; Y62-I346 HydrophobicContact CE2-CD1 4.24Å; Y62-I346 HydrophobicContact CE2-CG2 4.3Å; Y62-I346 HydrophobicContact CG-CD1 4.11Å; Y62-I346 HydrophobicContact CG-CG2 4.21Å; Y62-T354 WeakPolarHBondContact CD1-O 3.2Å
63	V	87.4	Confident	84.7	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	123.1	160.1	-168.6	0	0	0	0	107.3	G65 F73 Y353 T354 R356	V63-G65 WeakPolarHBondContact CG1-O 3.43Å; V63-F73 HydrophobicContact CG2-CD1 3.93Å; V63-F73 HydrophobicContact CG2-CE1 3.84Å; V63-Y353 CarbonylContact O-C 3.49Å; V63-Y353 VanDerWaalsContact O-CB 3.25Å; V63-Y353 WeakPolarHBondContact O-CB 3.35Å; V63-T354 VanDerWaalsContact O-CA 3.22Å; V63-T354 WeakPolarHBondContact O-CA 3.37Å; V63-T354 PolarHBondContact O-N 3.16Å; V63-T354 VanDerWaalsContact O-N 3.13Å; V63-R356 HydrophobicContact CB-CB 4.37Å; V63-R356 HydrophobicContact CG2-CB 3.97Å
64	I	86.3	Confident	85.1	Confident	17 Å²	17	43.1 Å²	43.1	9%	0.087	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	-11.9	179.6	59.7	175.5	0	0	0	113.1	V72 L74 A88 F139 F349 T354	I64-V72 HydrophobicContact CD1-CG1 3.92Å; I64-V72 HydrophobicContact CG1-CB 4.07Å; I64-V72 HydrophobicContact CG1-CG1 3.74Å; I64-V72 PolarHBondContact N-O 3.07Å; I64-L74 HydrophobicContact CD1-CB 4.35Å; I64-L74 HydrophobicContact CG2-CB 3.7Å; I64-A88 HydrophobicContact CD1-CB 4.08Å; I64-F139 HydrophobicContact CD1-CD2 4.08Å; I64-F139 HydrophobicContact CD1-CE2 3.92Å; I64-F349 HydrophobicContact CB-CD1 3.79Å; I64-F349 HydrophobicContact CB-CE1 4.17Å; I64-F349 HydrophobicContact CB-CG 4.36Å; I64-F349 HydrophobicContact CD1-CE1 4.15Å; I64-F349 HydrophobicContact CG2-CD1 4.21Å; I64-F349 HydrophobicContact CG2-CG 4.33Å; I64-T354 HydrophobicContact CG2-CG2 4.49Å
65	G	80.1	Confident	85.4	Confident	13 Å²	13	40.2 Å²	40.2	13%	0.134	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.4	164.4	172.4	0	0	0	0	0	113.1	V63 V72	V63-G65 WeakPolarHBondContact CG1-O 3.43Å; G65-V72 PolarHBondContact N-O 2.95Å; G65-V72 PolarHBondContact O-N 3.09Å
66	Q	78.8	Confident	85.7	Confident	93 Å²	93	42.1 Å²	42.1	44%	0.435	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	123.7	173.1	-175.7	173.1	-23	0	0	111.6	K71 Y353	Q66-K71 HydrophobicContact CG-CG 4.15Å; Q66-Y353 HydrophobicContact CB-CD1 4.08Å; Q66-Y353 HydrophobicContact CB-CE1 3.87Å
67	G	66.2	Low	85.9	Confident	49 Å²	49	38.2 Å²	38.2	51%	0.505	21%	0.21	S	C	.	.			trans	-97.9	-174.5	173.4	0	0	0	0	0	112.7	F69 G70	G67-F69 VanDerWaalsContact C-N 3.29Å; G67-F69 PolarHBondContact O-N 3.16Å; G67-G70 PolarHBondContact N-O 3.3Å
68	S	61	Low	85.9	Confident	87 Å²	87	40.2 Å²	40.2	61%	0.608	22%	0.221	S	C	*	.	S	Bend	trans	-67.7	-24.4	179.4	51.5	0	0	0	0	114.6
69	F	67.9	Low	85.6	Confident	77 Å²	77	42.6 Å²	42.6	34%	0.338	23%	0.234	S	C	.	.	S	Bend	trans	-123.3	1.8	-173	-50.4	-60.5	0	0	0	114	G67 K93 V96 L97	G67-F69 VanDerWaalsContact C-N 3.29Å; G67-F69 PolarHBondContact O-N 3.16Å; F69-K93 PolarHBondContact O-N 3.02Å; F69-V96 HydrophobicContact CB-CG2 4.31Å; F69-V96 HydrophobicContact CD1-CG2 4.22Å; F69-L97 HydrophobicContact CB-CD2 3.69Å; F69-L97 HydrophobicContact CD1-CD2 4.45Å; F69-L97 HydrophobicContact CD2-CD2 4.08Å; F69-L97 HydrophobicContact CG-CD2 3.83Å
70	G	74.9	Confident	85.2	Confident	21 Å²	21	40.5 Å²	40.5	22%	0.216	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-171	170.4	-166.6	0	0	0	0	0	114.9	G67 V91	G67-G70 PolarHBondContact N-O 3.3Å; G70-V91 CarbonylContact C-O 3.17Å; G70-V91 WeakPolarHBondContact CA-O 3.32Å
71	K	86.7	Confident	84.8	Confident	55 Å²	55	43.7 Å²	43.7	24%	0.239	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	154.1	174.6	-69.2	-179.9	179.8	-176.8	0	109.4	Q66 F73 V91 H359	Q66-K71 HydrophobicContact CG-CG 4.15Å; K71-F73 HydrophobicContact CB-CD2 4.27Å; K71-F73 HydrophobicContact CB-CE2 3.65Å; K71-F73 HydrophobicContact CB-CZ 3.85Å; K71-F73 HydrophobicContact CD-CE1 4.1Å; K71-F73 HydrophobicContact CD-CE2 4.2Å; K71-F73 HydrophobicContact CD-CZ 3.55Å; K71-F73 HydrophobicContact CG-CZ 4.38Å; K71-V91 PolarHBondContact N-O 3.38Å; K71-V91 PolarHBondContact O-N 3.08Å; K71-H359 PolarHBondContact NZ-O 2.97Å
72	V	90	Very high	84.8	Confident	39 Å²	39	42.3 Å²	42.3	24%	0.236	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	126.8	167.9	-167.5	0	0	0	0	107.9	I64 G65 A88 M89 K90	I64-V72 HydrophobicContact CD1-CG1 3.92Å; I64-V72 HydrophobicContact CG1-CB 4.07Å; I64-V72 HydrophobicContact CG1-CG1 3.74Å; I64-V72 PolarHBondContact N-O 3.07Å; G65-V72 PolarHBondContact N-O 2.95Å; G65-V72 PolarHBondContact O-N 3.09Å; V72-A88 HydrophobicContact CG1-CB 4.25Å; V72-M89 CarbonylContact C-O 3.36Å; V72-M89 WeakPolarHBondContact CA-O 3.43Å; V72-K90 HydrophobicContact CG2-CG 4.29Å
73	F	93.2	Very high	84.8	Confident	1 Å²	1	45.4 Å²	45.4	0%	0.004	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	141	178.5	-56.6	-93.3	0	0	0	110.3	L60 Y62 V63 K71 V75 A88 M89 V91 P358 D360	L60-F73 HydrophobicContact CD2-CB 3.72Å; L60-F73 HydrophobicContact CD2-CD1 3.75Å; L60-F73 HydrophobicContact CD2-CD2 3.99Å; L60-F73 HydrophobicContact CD2-CE1 4.26Å; L60-F73 HydrophobicContact CD2-CE2 4.48Å; L60-F73 HydrophobicContact CD2-CG 3.57Å; Y62-F73 CarbonylContact O-C 3.58Å; Y62-F73 WeakPolarHBondContact O-CA 3.43Å; V63-F73 HydrophobicContact CG2-CD1 3.93Å; V63-F73 HydrophobicContact CG2-CE1 3.84Å; K71-F73 HydrophobicContact CB-CD2 4.27Å; K71-F73 HydrophobicContact CB-CE2 3.65Å; K71-F73 HydrophobicContact CB-CZ 3.85Å; K71-F73 HydrophobicContact CD-CE1 4.1Å; K71-F73 HydrophobicContact CD-CE2 4.2Å; K71-F73 HydrophobicContact CD-CZ 3.55Å; K71-F73 HydrophobicContact CG-CZ 4.38Å; F73-V75 HydrophobicContact CB-CG1 3.89Å; F73-A88 CarbonylContact O-C 3.55Å; F73-A88 WeakPolarHBondContact O-CA 3.16Å; F73-M89 HydrophobicContact CB-CB 4.45Å; F73-M89 PolarHBondContact N-O 3.34Å; F73-M89 PolarHBondContact O-N 3.35Å; F73-V91 HydrophobicContact CD2-CG2 3.81Å; F73-V91 HydrophobicContact CE2-CB 4.24Å; F73-V91 HydrophobicContact CE2-CG2 3.74Å; F73-P358 HydrophobicContact CD1-CB 4.31Å; F73-D360 HydrophobicContact CE2-CB 4.43Å; F73-D360 HydrophobicContact CZ-CB 4.23Å
74	L	93.8	Very high	85	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	124.6	157.2	173.4	53.3	0	0	0	107.3	L61 Y62 I64 L86 F139 I346	L61-L74 HydrophobicContact CB-CG 4.32Å; L61-L74 WeakPolarHBondContact CB-O 3.47Å; L61-L74 HydrophobicContact CD1-CG 4.31Å; L61-L74 PolarHBondContact N-O 3.1Å; Y62-L74 HydrophobicContact CD2-CD2 4.06Å; Y62-L74 PolarHBondContact N-O 2.87Å; Y62-L74 PolarHBondContact O-N 2.78Å; I64-L74 HydrophobicContact CD1-CB 4.35Å; I64-L74 HydrophobicContact CG2-CB 3.7Å; L74-L86 HydrophobicContact CD1-CB 4Å; L74-L86 HydrophobicContact CD1-CD1 4.41Å; L74-L86 HydrophobicContact CD1-CD2 4.19Å; L74-L86 HydrophobicContact CD1-CG 4.43Å; L74-F139 HydrophobicContact CB-CE2 4.44Å; L74-F139 HydrophobicContact CD1-CB 4.33Å; L74-F139 HydrophobicContact CD1-CD1 3.7Å; L74-F139 HydrophobicContact CD1-CD2 3.71Å; L74-F139 HydrophobicContact CD1-CE1 3.85Å; L74-F139 HydrophobicContact CD1-CE2 3.87Å; L74-F139 HydrophobicContact CD1-CG 3.62Å; L74-F139 HydrophobicContact CD1-CZ 3.95Å; L74-F139 HydrophobicContact CD2-CE1 3.91Å; L74-F139 HydrophobicContact CD2-CE2 4.12Å; L74-F139 HydrophobicContact CD2-CZ 3.66Å; L74-F139 HydrophobicContact CG-CE2 4.38Å; L74-F139 HydrophobicContact CG-CZ 4.34Å; L74-I346 HydrophobicContact CD2-CG2 3.9Å
75	V	94.5	Very high	85.3	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	156.3	-179.9	-55.3	0	0	0	0	111.5	F58 D59 L60 F73 L86 Y87 M89	F58-V75 HydrophobicContact CB-CB 4.15Å; F58-V75 HydrophobicContact CB-CG2 4.22Å; F58-V75 HydrophobicContact CD1-CB 4.49Å; F58-V75 HydrophobicContact CD1-CG2 3.73Å; F58-V75 HydrophobicContact CG-CG2 4.27Å; D59-V75 CarbonylContact O-C 3.55Å; D59-V75 WeakPolarHBondContact O-CA 3.27Å; D59-V75 WeakPolarHBondContact O-CB 3.36Å; L60-V75 HydrophobicContact CD2-CG1 3.78Å; F73-V75 HydrophobicContact CB-CG1 3.89Å; V75-L86 WeakPolarHBondContact O-CA 3.32Å; V75-Y87 PolarHBondContact N-O 3.46Å; V75-Y87 PolarHBondContact O-N 3Å; V75-M89 HydrophobicContact CB-CB 4.48Å; V75-M89 HydrophobicContact CG1-CB 3.64Å; V75-M89 HydrophobicContact CG1-CE 3.99Å; V75-M89 HydrophobicContact CG1-CG 4.47Å; V75-M89 HydrophobicContact CG1-SD 4.11Å; V75-M89 HydrophobicContact CG2-CB 3.97Å; V75-M89 HydrophobicContact CG2-CE 4.33Å
76	R	95	Very high	85.9	Confident	80 Å²	80	49.6 Å²	49.6	30%	0.302	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	131.3	169.6	-170.9	177.4	-66.2	153.7	3.9	109.9	F58 D59 L61 G84 T85 L86 N344	F58-R76 CarbonylContact C-O 3.58Å; F58-R76 WeakPolarHBondContact CA-O 3.39Å; D59-R76 HydrophobicContact CB-CB 4.42Å; D59-R76 PolarHBondContact N-O 3.43Å; D59-R76 PolarHBondContact O-N 2.88Å; L61-R76 HydrophobicContact CD1-CB 4.14Å; L61-R76 HydrophobicContact CG-CB 4.43Å; R76-G84 WeakPolarHBondContact CG-O 3.42Å; R76-T85 WeakPolarHBondContact CA-O 3.44Å; R76-L86 HydrophobicContact CB-CD2 3.92Å; R76-L86 HydrophobicContact CG-CD2 4.16Å; R76-N344 PolarHBondContact NH2-ND2 2.96Å; R76-N344 PolarHBondContact NH2-OD1 3.14Å
77	K	94.5	Very high	86.7	Confident	1 Å²	1	45.5 Å²	45.5	0%	0.004	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	130	171.7	-176.2	84.5	174.8	-177.1	0	110.1	F58 N79 D82 G84 T85 Y87	F58-K77 HydrophobicContact CD1-CB 4.46Å; F58-K77 HydrophobicContact CD1-CD 4.14Å; F58-K77 HydrophobicContact CE1-CB 4.38Å; F58-K77 HydrophobicContact CE1-CD 3.56Å; F58-K77 HydrophobicContact CZ-CD 3.87Å; K77-N79 WeakPolarHBondContact CE-O 3.46Å; K77-N79 WeakPolarHBondContact CE-OD1 3.32Å; K77-N79 WeakPolarHBondContact CG-O 3.48Å; K77-N79 PolarHBondContact NZ-OD1 3.29Å; K77-D82 WeakPolarHBondContact CD-OD2 3.3Å; K77-D82 VanDerWaalsContact CE-OD1 3.24Å; K77-D82 WeakPolarHBondContact CE-OD1 3.45Å; K77-D82 WeakPolarHBondContact CG-OD2 3.25Å; K77-G84 PolarHBondContact O-N 2.79Å; K77-T85 PolarHBondContact N-O 3.16Å; K77-Y87 HydrophobicContact CB-CD2 4.39Å; K77-Y87 HydrophobicContact CB-CE2 4.14Å
78	N	92.5	Very high	88	Confident	46 Å²	46	43.8 Å²	43.8	25%	0.246	24%	0.24	C	C	.	.			trans	-105.6	-11	-176.7	66.3	25.6	0	0	0	115	S56 C57 D59 K83	S56-N78 PolarHBondContact O-ND2 3.48Å; S56-N78 PolarHBondContact O-OD1 2.97Å; C57-N78 VanDerWaalsContact C-CG 3.48Å; C57-N78 VanDerWaalsContact CA-OD1 3.31Å; C57-N78 WeakPolarHBondContact CA-OD1 3.32Å; C57-N78 PolarHBondContact O-N 3.46Å; C57-N78 PolarHBondContact O-OD1 3.26Å; D59-N78 WeakPolarHBondContact OD1-CB 3.47Å; D59-N78 PolarHBondContact OD1-ND2 3.38Å; N78-K83 VanDerWaalsContact O-CD 3.23Å; N78-K83 WeakPolarHBondContact O-CD 3.41Å; N78-K83 WeakPolarHBondContact O-CE 3.44Å; N78-K83 WeakPolarHBondContact O-CG 3.45Å; N78-K83 PolarHBondContact O-NZ 3.16Å
79	N	89.7	Confident	89.6	Confident	59 Å²	59	39.8 Å²	39.8	32%	0.316	21%	0.212	S	C	.	.	S	Bend	trans	-137.3	-175.8	179.3	65.8	5.8	0	0	0	111.9	C57 K77	C57-N79 WeakPolarHBondContact CB-OD1 3.3Å; C57-N79 PolarHBondContact SG-ND2 3.32Å; K77-N79 WeakPolarHBondContact CE-O 3.46Å; K77-N79 WeakPolarHBondContact CE-OD1 3.32Å; K77-N79 WeakPolarHBondContact CG-O 3.48Å; K77-N79 PolarHBondContact NZ-OD1 3.29Å
80	G	85.1	Confident	90.8	Very high	27 Å²	27	37.6 Å²	37.6	28%	0.278	20%	0.203	S	C	.	.	S	Bend	trans	71.7	-177.2	179.5	0	0	0	0	0	114.7	D82 K83	G80-D82 VanDerWaalsContact C-N 3.26Å; G80-D82 PolarHBondContact O-N 3.26Å; G80-K83 WeakPolarHBondContact O-CB 3.44Å; G80-K83 PolarHBondContact O-N 2.81Å
81	K	82.9	Confident	91.5	Very high	127 Å²	127	36.9 Å²	36.9	55%	0.552	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-27.2	-179.8	-70.6	-176.4	177.2	174.8	0	113.6	F384 A386	K81-F384 WeakPolarHBondContact CD-O 3.38Å; K81-F384 WeakPolarHBondContact CE-O 3.46Å; K81-F384 PolarHBondContact NZ-O 2.88Å; K81-A386 PolarHBondContact NZ-O 3.06Å
82	D	89.7	Confident	91.6	Very high	12 Å²	12	35 Å²	35	6%	0.064	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.1	14.9	-177	63.2	-45	0	0	0	113.3	K77 G80 G84 T85 Y87 Y125 F384	K77-D82 WeakPolarHBondContact CD-OD2 3.3Å; K77-D82 VanDerWaalsContact CE-OD1 3.24Å; K77-D82 WeakPolarHBondContact CE-OD1 3.45Å; K77-D82 WeakPolarHBondContact CG-OD2 3.25Å; G80-D82 VanDerWaalsContact C-N 3.26Å; G80-D82 PolarHBondContact O-N 3.26Å; D82-G84 PolarHBondContact O-N 3.28Å; D82-T85 WeakPolarHBondContact O-CB 3.39Å; D82-T85 PolarHBondContact O-N 3.19Å; D82-T85 PolarHBondContact O-OG1 3.13Å; D82-Y87 VanDerWaalsContact OD2-CE2 3.26Å; D82-Y87 WeakPolarHBondContact OD2-CE2 3.3Å; D82-Y87 PolarHBondContact OD2-OH 2.96Å; D82-Y125 PolarHBondContact OD1-OH 2.81Å; D82-Y125 PolarHBondContact OD2-OH 2.98Å; D82-F384 HydrophobicContact CB-CD1 4.46Å; D82-F384 HydrophobicContact CB-CE1 3.7Å; D82-F384 HydrophobicContact CB-CZ 4.28Å
83	K	91.6	Very high	91.3	Very high	150 Å²	150	36.4 Å²	36.4	65%	0.652	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-47.6	126.8	176.3	177.8	172.9	-178.2	165.8	0	111.7	N78 G80	N78-K83 VanDerWaalsContact O-CD 3.23Å; N78-K83 WeakPolarHBondContact O-CD 3.41Å; N78-K83 WeakPolarHBondContact O-CE 3.44Å; N78-K83 WeakPolarHBondContact O-CG 3.45Å; N78-K83 PolarHBondContact O-NZ 3.16Å; G80-K83 WeakPolarHBondContact O-CB 3.44Å; G80-K83 PolarHBondContact O-N 2.81Å
84	G	90.8	Very high	91	Very high	38 Å²	38	36.4 Å²	36.4	39%	0.392	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	96.6	-17.1	-176.5	0	0	0	0	0	114.5	R76 K77 D82	R76-G84 WeakPolarHBondContact CG-O 3.42Å; K77-G84 PolarHBondContact O-N 2.79Å; D82-G84 PolarHBondContact O-N 3.28Å
85	T	92.6	Very high	90.3	Very high	59 Å²	59	38.7 Å²	38.7	36%	0.362	21%	0.208	S	C	.	.			trans	-64.9	143	177.8	-52.8	0	0	0	0	111.4	R76 K77 D82 Y87	R76-T85 WeakPolarHBondContact CA-O 3.44Å; K77-T85 PolarHBondContact N-O 3.16Å; D82-T85 WeakPolarHBondContact O-CB 3.39Å; D82-T85 PolarHBondContact O-N 3.19Å; D82-T85 PolarHBondContact O-OG1 3.13Å; T85-Y87 HydrophobicContact CG2-CD2 4.4Å; T85-Y87 HydrophobicContact CG2-CE1 3.93Å; T85-Y87 HydrophobicContact CG2-CE2 3.74Å; T85-Y87 VanDerWaalsContact CG2-CZ 3.47Å
86	L	93.3	Very high	89.4	Confident	20 Å²	20	42.4 Å²	42.4	11%	0.105	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	136.9	176.2	-66.7	-178.3	0	0	0	111.3	L61 L74 V75 R76 F139 I343	L61-L86 HydrophobicContact CD1-CD2 3.61Å; L74-L86 HydrophobicContact CD1-CB 4Å; L74-L86 HydrophobicContact CD1-CD1 4.41Å; L74-L86 HydrophobicContact CD1-CD2 4.19Å; L74-L86 HydrophobicContact CD1-CG 4.43Å; V75-L86 WeakPolarHBondContact O-CA 3.32Å; R76-L86 HydrophobicContact CB-CD2 3.92Å; R76-L86 HydrophobicContact CG-CD2 4.16Å; L86-F139 HydrophobicContact CB-CB 4.43Å; L86-F139 HydrophobicContact CB-CD1 4.17Å; L86-F139 HydrophobicContact CD1-CD1 4.38Å; L86-I343 WeakPolarHBondContact CD1-O 3.23Å
87	Y	94.4	Very high	88.3	Confident	8 Å²	8	38.7 Å²	38.7	3%	0.031	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	158.9	-179.5	-66.1	-67.4	0	0	0	112.5	F58 V75 K77 D82 T85 H124 Y125 I136 L137	F58-Y87 HydrophobicContact CE1-CD2 4.1Å; V75-Y87 PolarHBondContact N-O 3.46Å; V75-Y87 PolarHBondContact O-N 3Å; K77-Y87 HydrophobicContact CB-CD2 4.39Å; K77-Y87 HydrophobicContact CB-CE2 4.14Å; D82-Y87 VanDerWaalsContact OD2-CE2 3.26Å; D82-Y87 WeakPolarHBondContact OD2-CE2 3.3Å; D82-Y87 PolarHBondContact OD2-OH 2.96Å; T85-Y87 HydrophobicContact CG2-CD2 4.4Å; T85-Y87 HydrophobicContact CG2-CE1 3.93Å; T85-Y87 HydrophobicContact CG2-CE2 3.74Å; T85-Y87 VanDerWaalsContact CG2-CZ 3.47Å; Y87-H124 HydrophobicContact CE1-CB 3.97Å; Y87-H124 AromaticContact CE1-CD2 3.65Å; Y87-H124 AromaticContact CE1-CE1 3.92Å; Y87-H124 AromaticContact CE1-CG 3.49Å; Y87-H124 VanDerWaalsContact CE1-CG 3.49Å; Y87-H124 AromaticContact CE1-ND1 3.68Å; Y87-H124 AromaticContact CE1-NE2 3.9Å; Y87-Y125 HydrophobicContact CE2-CE2 4.3Å; Y87-I136 VanDerWaalsContact CB-CG2 3.44Å; Y87-I136 HydrophobicContact CD1-CG2 4.06Å; Y87-I136 HydrophobicContact CD2-CG2 3.95Å; Y87-I136 HydrophobicContact CG-CG2 3.55Å; Y87-L137 WeakPolarHBondContact CA-O 3.41Å; Y87-L137 WeakPolarHBondContact CB-O 3.25Å; Y87-L137 WeakPolarHBondContact CD1-O 3.33Å
88	A	93.7	Very high	87.6	Confident	12 Å²	12	45.7 Å²	45.7	10%	0.099	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	106.8	168.5	0	0	0	0	0	110.1	I64 V72 F73 L137	I64-A88 HydrophobicContact CD1-CB 4.08Å; V72-A88 HydrophobicContact CG1-CB 4.25Å; F73-A88 CarbonylContact O-C 3.55Å; F73-A88 WeakPolarHBondContact O-CA 3.16Å; A88-L137 HydrophobicContact CB-CB 4.33Å; A88-L137 PolarHBondContact N-O 3.44Å; A88-L137 PolarHBondContact O-N 3.27Å
89	M	94.6	Very high	86.9	Confident	4 Å²	4	47.5 Å²	47.5	2%	0.02	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	105.1	177.1	178.4	-172	-74.4	0	0	110.6	F58 L60 V72 F73 V75 V91 F127 Y134 L135 I136	F58-M89 HydrophobicContact CB-CE 3.58Å; F58-M89 HydrophobicContact CD1-CE 4.49Å; F58-M89 HydrophobicContact CD2-CE 3.8Å; F58-M89 HydrophobicContact CG-CE 3.71Å; L60-M89 HydrophobicContact CD2-SD 4.2Å; V72-M89 CarbonylContact C-O 3.36Å; V72-M89 WeakPolarHBondContact CA-O 3.43Å; F73-M89 HydrophobicContact CB-CB 4.45Å; F73-M89 PolarHBondContact N-O 3.34Å; F73-M89 PolarHBondContact O-N 3.35Å; V75-M89 HydrophobicContact CB-CB 4.48Å; V75-M89 HydrophobicContact CG1-CB 3.64Å; V75-M89 HydrophobicContact CG1-CE 3.99Å; V75-M89 HydrophobicContact CG1-CG 4.47Å; V75-M89 HydrophobicContact CG1-SD 4.11Å; V75-M89 HydrophobicContact CG2-CB 3.97Å; V75-M89 HydrophobicContact CG2-CE 4.33Å; M89-V91 HydrophobicContact CG-CG2 3.61Å; M89-V91 HydrophobicContact SD-CG2 3.77Å; M89-F127 HydrophobicContact CE-CZ 4.3Å; M89-Y134 HydrophobicContact CG-CD1 4.15Å; M89-Y134 HydrophobicContact SD-CD1 3.81Å; M89-Y134 HydrophobicContact SD-CE1 4.15Å; M89-L135 CarbonylContact C-O 3.48Å; M89-L135 WeakPolarHBondContact CA-O 3.43Å; M89-I136 HydrophobicContact CB-CD1 3.76Å; M89-I136 HydrophobicContact CE-CD1 3.68Å; M89-I136 HydrophobicContact CG-CD1 3.55Å; M89-I136 HydrophobicContact SD-CD1 4.44Å
90	K	92.4	Very high	86.3	Confident	31 Å²	31	54.2 Å²	54.2	14%	0.135	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	114.8	171.9	-170.6	-174.3	-168.1	-173.3	0	109	V72 L92 E108 Y134 L135 D201	V72-K90 HydrophobicContact CG2-CG 4.29Å; K90-L92 HydrophobicContact CD-CD1 4.42Å; K90-L92 HydrophobicContact CG-CD1 4.09Å; K90-E108 IonicContact NZ-OE1 3.04Å; K90-E108 PolarHBondContact NZ-OE1 3.3Å; K90-E108 IonicContact NZ-OE2 2.75Å; K90-E108 PolarHBondContact NZ-OE2 3.35Å; K90-Y134 WeakPolarHBondContact O-CA 3.48Å; K90-L135 HydrophobicContact CB-CB 4.32Å; K90-L135 HydrophobicContact CD-CD1 4.39Å; K90-L135 PolarHBondContact N-O 3.08Å; K90-L135 PolarHBondContact O-N 3.26Å; K90-D201 IonicContact NZ-OD1 2.74Å; K90-D201 PolarHBondContact NZ-OD1 3.2Å
91	V	91.5	Very high	85.8	Confident	6 Å²	6	53.9 Å²	53.9	4%	0.036	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	122.8	-176.4	-171.5	0	0	0	0	110.6	G70 K71 F73 M89 K132 Y134	G70-V91 CarbonylContact C-O 3.17Å; G70-V91 WeakPolarHBondContact CA-O 3.32Å; K71-V91 PolarHBondContact N-O 3.38Å; K71-V91 PolarHBondContact O-N 3.08Å; F73-V91 HydrophobicContact CD2-CG2 3.81Å; F73-V91 HydrophobicContact CE2-CB 4.24Å; F73-V91 HydrophobicContact CE2-CG2 3.74Å; M89-V91 HydrophobicContact CG-CG2 3.61Å; M89-V91 HydrophobicContact SD-CG2 3.77Å; V91-K132 HydrophobicContact CG1-CB 4.45Å; V91-K132 HydrophobicContact CG1-CD 4.05Å; V91-K132 HydrophobicContact CG1-CG 4.5Å; V91-Y134 HydrophobicContact CB-CD1 4.32Å; V91-Y134 HydrophobicContact CB-CE1 4.33Å; V91-Y134 HydrophobicContact CG1-CD1 3.99Å; V91-Y134 HydrophobicContact CG1-CE1 3.63Å; V91-Y134 HydrophobicContact CG2-CD1 3.62Å; V91-Y134 HydrophobicContact CG2-CE1 3.74Å
92	L	87.1	Confident	85.8	Confident	15 Å²	15	49.2 Å²	49.2	8%	0.079	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	140.1	177.1	-54	92.6	0	0	0	111.7	K90 L97 T105 K132 V133	K90-L92 HydrophobicContact CD-CD1 4.42Å; K90-L92 HydrophobicContact CG-CD1 4.09Å; L92-L97 HydrophobicContact CB-CD1 4.19Å; L92-L97 HydrophobicContact CD2-CD2 4.22Å; L92-T105 HydrophobicContact CD1-CG2 4.15Å; L92-T105 HydrophobicContact CD2-CG2 4.48Å; L92-K132 VanDerWaalsContact O-CA 3.27Å; L92-K132 WeakPolarHBondContact O-CA 3.47Å; L92-V133 HydrophobicContact CB-CG2 3.87Å; L92-V133 HydrophobicContact CD1-CG2 4.15Å; L92-V133 PolarHBondContact N-O 2.82Å; L92-V133 PolarHBondContact O-N 3.23Å
93	K	85.3	Confident	85.4	Confident	69 Å²	69	53.2 Å²	53.2	30%	0.3	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	115.3	179.3	-65.4	-177.8	179.6	-167.5	0	110.6	F69 A95 V96 K132 S361 C363	F69-K93 PolarHBondContact O-N 3.02Å; K93-A95 VanDerWaalsContact C-N 3.25Å; K93-A95 PolarHBondContact O-N 2.94Å; K93-V96 HydrophobicContact CB-CG1 4.48Å; K93-V96 HydrophobicContact CB-CG2 3.99Å; K93-V96 WeakPolarHBondContact O-CG2 3.43Å; K93-V96 PolarHBondContact O-N 3.03Å; K93-K132 HydrophobicContact CG-CG 4.49Å; K93-S361 WeakPolarHBondContact CE-OG 3.41Å; K93-S361 PolarHBondContact NZ-OG 3.31Å; K93-C363 HydrophobicContact CD-CB 4.4Å; K93-C363 HydrophobicContact CG-CB 4.35Å
94	K	86.4	Confident	84.9	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-36.2	-176.2	-72.3	178.8	168.5	177.9	0	113.4	R102 T129 G131 K132 V133 A366 H371 F374	K94-R102 PolarHBondContact O-NE 3.39Å; K94-R102 PolarHBondContact O-NH2 3.49Å; K94-T129 WeakPolarHBondContact CE-O 3.44Å; K94-T129 PolarHBondContact NZ-O 3.45Å; K94-G131 WeakPolarHBondContact CB-O 3.39Å; K94-G131 PolarHBondContact N-O 3.14Å; K94-K132 WeakPolarHBondContact CE-O 3.34Å; K94-V133 HydrophobicContact CD-CG1 4.36Å; K94-V133 VanDerWaalsContact CE-CG1 3.42Å; K94-V133 HydrophobicContact CG-CG1 4.06Å; K94-A366 HydrophobicContact CB-CB 3.61Å; K94-H371 PolarHBondContact NZ-CE1 3.27Å; K94-H371 VanDerWaalsContact NZ-CE1 3.28Å; K94-H371 PolarHBondContact NZ-ND1 3.45Å; K94-F374 HydrophobicContact CB-CE2 4.42Å; K94-F374 HydrophobicContact CD-CD2 4.02Å; K94-F374 HydrophobicContact CD-CE2 4.32Å; K94-F374 HydrophobicContact CG-CD2 4.02Å; K94-F374 HydrophobicContact CG-CE2 3.81Å
95	A	78.3	Confident	84.5	Confident	49 Å²	49	47.2 Å²	47.2	41%	0.405	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-37.6	-177.4	0	0	0	0	0	113.4	K93	K93-A95 VanDerWaalsContact C-N 3.25Å; K93-A95 PolarHBondContact O-N 2.94Å
96	V	75.7	Confident	84.3	Confident	77 Å²	77	46.6 Å²	46.6	47%	0.467	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-16.2	-177.1	-49.3	0	0	0	0	113.6	F69 K93	F69-V96 HydrophobicContact CB-CG2 4.31Å; F69-V96 HydrophobicContact CD1-CG2 4.22Å; K93-V96 HydrophobicContact CB-CG1 4.48Å; K93-V96 HydrophobicContact CB-CG2 3.99Å; K93-V96 WeakPolarHBondContact O-CG2 3.43Å; K93-V96 PolarHBondContact O-N 3.03Å
97	L	73.2	Confident	83.9	Confident	3 Å²	3	47.4 Å²	47.4	2%	0.016	23%	0.231	C	C	.	.	S	Bend	trans	-72	128.3	176.2	-66.9	172.9	0	0	0	110.5	F69 L92 D101 R102 F374	F69-L97 HydrophobicContact CB-CD2 3.69Å; F69-L97 HydrophobicContact CD1-CD2 4.45Å; F69-L97 HydrophobicContact CD2-CD2 4.08Å; F69-L97 HydrophobicContact CG-CD2 3.83Å; L92-L97 HydrophobicContact CB-CD1 4.19Å; L92-L97 HydrophobicContact CD2-CD2 4.22Å; L97-D101 HydrophobicContact CB-CB 4.41Å; L97-D101 HydrophobicContact CD2-CB 3.91Å; L97-R102 HydrophobicContact CB-CG 3.6Å; L97-R102 HydrophobicContact CD1-CG 4.28Å; L97-R102 PolarHBondContact O-NE 2.83Å; L97-R102 PolarHBondContact O-NH2 3.32Å; L97-F374 HydrophobicContact CD1-CZ 4.08Å
98	K	78	Confident	83.6	Confident	147 Å²	147	47.2 Å²	47.2	64%	0.639	23%	0.23	S	C	*	.			trans	-73.5	162	169.2	-59.6	177.5	-179.3	177.8	0	109.4	R100 D101 R102	K98-R100 VanDerWaalsContact C-N 3.27Å; K98-R100 PolarHBondContact O-N 3.43Å; K98-R100 VanDerWaalsContact O-N 3.16Å; K98-D101 WeakPolarHBondContact O-CA 3.43Å; K98-D101 PolarHBondContact O-N 3.15Å; K98-R102 PolarHBondContact O-N 3.06Å
99	V	77.9	Confident	83.5	Confident	84 Å²	84	47.8 Å²	47.8	51%	0.509	23%	0.23	S	C	.	.	H	α-helix	trans	-50.3	-45.5	-177.6	179.6	0	0	0	0	112.4	D101 R102 L103 L373	V99-D101 VanDerWaalsContact C-N 3.31Å; V99-D101 PolarHBondContact O-N 3.43Å; V99-R102 PolarHBondContact O-N 2.93Å; V99-L103 HydrophobicContact CG1-CD1 4.38Å; V99-L103 WeakPolarHBondContact O-CG 3.33Å; V99-L103 PolarHBondContact O-N 3.05Å; V99-L103 VanDerWaalsContact O-N 3.08Å; V99-L373 HydrophobicContact CG1-CD1 4.4Å
100	R	76.9	Confident	83.3	Confident	201 Å²	201	49.1 Å²	49.1	76%	0.758	24%	0.237	S	C	*	.	H	α-helix	trans	-61.9	-35.1	176.6	-68.1	-176.3	177.8	175.1	-0.9	113.5	K98 R104	K98-R100 VanDerWaalsContact C-N 3.27Å; K98-R100 PolarHBondContact O-N 3.43Å; K98-R100 VanDerWaalsContact O-N 3.16Å; R100-R104 WeakPolarHBondContact O-CG 3.27Å; R100-R104 PolarHBondContact O-N 2.29Å; R100-R104 VanDerWaalsContact O-N 3.09Å
101	D	75.9	Confident	83.1	Confident	19 Å²	19	47.7 Å²	47.7	10%	0.102	23%	0.231	C	C	.	.	H	α-helix	trans	-79.4	-30.2	-179.5	-53.6	-48.5	0	0	0	111.3	L97 K98 V99 R104 T105	L97-D101 HydrophobicContact CB-CB 4.41Å; L97-D101 HydrophobicContact CD2-CB 3.91Å; K98-D101 WeakPolarHBondContact O-CA 3.43Å; K98-D101 PolarHBondContact O-N 3.15Å; V99-D101 VanDerWaalsContact C-N 3.31Å; V99-D101 PolarHBondContact O-N 3.43Å; D101-R104 WeakPolarHBondContact O-CB 3.25Å; D101-R104 PolarHBondContact O-N 3.25Å; D101-R104 IonicContact OD1-CZ 3.94Å; D101-R104 IonicContact OD1-NH1 2.83Å; D101-R104 PolarHBondContact OD1-NH1 3.48Å; D101-T105 PolarHBondContact O-N 3.44Å; D101-T105 PolarHBondContact O-OG1 3.48Å; D101-T105 VanDerWaalsContact O-OG1 3.1Å
102	R	82.1	Confident	83.1	Confident	30 Å²	30	47.5 Å²	47.5	11%	0.113	23%	0.23	C	C	.	.	H	α-helix	trans	-64	-45.7	169.2	-61.7	179	-171.9	140.2	3.5	111.9	K94 L97 K98 V99 R104 T105 K106 L373 F374	K94-R102 PolarHBondContact O-NE 3.39Å; K94-R102 PolarHBondContact O-NH2 3.49Å; L97-R102 HydrophobicContact CB-CG 3.6Å; L97-R102 HydrophobicContact CD1-CG 4.28Å; L97-R102 PolarHBondContact O-NE 2.83Å; L97-R102 PolarHBondContact O-NH2 3.32Å; K98-R102 PolarHBondContact O-N 3.06Å; V99-R102 PolarHBondContact O-N 2.93Å; R102-R104 VanDerWaalsContact C-N 3.33Å; R102-R104 PolarHBondContact O-N 2.98Å; R102-T105 PolarHBondContact O-N 2.89Å; R102-K106 PolarHBondContact O-N 2.85Å; R102-L373 HydrophobicContact CB-CD1 4.31Å; R102-F374 HydrophobicContact CB-CE1 4.45Å; R102-F374 HydrophobicContact CB-CE2 3.99Å; R102-F374 HydrophobicContact CB-CZ 3.67Å; R102-F374 HydrophobicContact CG-CE2 3.8Å; R102-F374 HydrophobicContact CG-CZ 3.77Å
103	L	81.9	Confident	83.3	Confident	95 Å²	95	48.5 Å²	48.5	50%	0.497	24%	0.237	S	C	.	.	H	α-helix	trans	-60.3	-42.8	175.5	-69.1	171.7	0	0	0	111.4	V99 K106 L107 L373	V99-L103 HydrophobicContact CG1-CD1 4.38Å; V99-L103 WeakPolarHBondContact O-CG 3.33Å; V99-L103 PolarHBondContact O-N 3.05Å; V99-L103 VanDerWaalsContact O-N 3.08Å; L103-K106 PolarHBondContact O-N 3.18Å; L103-L107 WeakPolarHBondContact O-CB 3.07Å; L103-L107 PolarHBondContact O-N 2.99Å; L103-L373 HydrophobicContact CD2-CD2 4.29Å
104	R	80.5	Confident	83.5	Confident	55 Å²	55	53 Å²	53	21%	0.208	25%	0.252	C	S	.	.	H	α-helix	trans	-58.8	-45.7	172.9	-79.3	168.7	171.8	157.7	-6.6	113.2	R100 D101 R102 K106 L107 E108 G203	R100-R104 WeakPolarHBondContact O-CG 3.27Å; R100-R104 PolarHBondContact O-N 2.29Å; R100-R104 VanDerWaalsContact O-N 3.09Å; D101-R104 WeakPolarHBondContact O-CB 3.25Å; D101-R104 PolarHBondContact O-N 3.25Å; D101-R104 IonicContact OD1-CZ 3.94Å; D101-R104 IonicContact OD1-NH1 2.83Å; D101-R104 PolarHBondContact OD1-NH1 3.48Å; R102-R104 VanDerWaalsContact C-N 3.33Å; R102-R104 PolarHBondContact O-N 2.98Å; R104-K106 VanDerWaalsContact C-N 3.34Å; R104-K106 PolarHBondContact O-N 3.49Å; R104-L107 PolarHBondContact O-N 2.81Å; R104-E108 WeakPolarHBondContact O-CB 3.3Å; R104-E108 PolarHBondContact O-N 3.28Å; R104-G203 VanDerWaalsContact CB-O 3.3Å; R104-G203 WeakPolarHBondContact CB-O 3.46Å; R104-G203 WeakPolarHBondContact CD-O 3.12Å; R104-G203 VanDerWaalsContact CG-O 3.23Å; R104-G203 WeakPolarHBondContact CG-O 3.43Å
105	T	83.9	Confident	83.7	Confident	7 Å²	7	53.3 Å²	53.3	4%	0.043	25%	0.253	C	S	.	.	H	α-helix	trans	-67.4	-33.4	178.4	-56.6	0	0	0	0	112.4	L92 D101 R102 R109 V133 F374 F377	L92-T105 HydrophobicContact CD1-CG2 4.15Å; L92-T105 HydrophobicContact CD2-CG2 4.48Å; D101-T105 PolarHBondContact O-N 3.44Å; D101-T105 PolarHBondContact O-OG1 3.48Å; D101-T105 VanDerWaalsContact O-OG1 3.1Å; R102-T105 PolarHBondContact O-N 2.89Å; T105-R109 PolarHBondContact O-N 3.36Å; T105-V133 HydrophobicContact CG2-CG2 3.86Å; T105-F374 HydrophobicContact CG2-CE1 4.34Å; T105-F377 HydrophobicContact CG2-CE2 4.15Å; T105-F377 HydrophobicContact CG2-CZ 4.33Å
106	K	86.4	Confident	84.3	Confident	46 Å²	46	55.6 Å²	55.6	20%	0.2	25%	0.254	C	S	.	.	H	α-helix	trans	-67	-45.3	170.7	-178.3	163.1	178	167	0	111	R102 L103 R104 E108 R109 D110 L373 R375	R102-K106 PolarHBondContact O-N 2.85Å; L103-K106 PolarHBondContact O-N 3.18Å; R104-K106 VanDerWaalsContact C-N 3.34Å; R104-K106 PolarHBondContact O-N 3.49Å; K106-E108 PolarHBondContact O-N 3.1Å; K106-R109 WeakPolarHBondContact O-CB 3.42Å; K106-R109 PolarHBondContact O-N 3Å; K106-D110 WeakPolarHBondContact CG-OD2 3.3Å; K106-D110 PolarHBondContact O-N 3Å; K106-L373 WeakPolarHBondContact CD-O 3.5Å; K106-R375 PolarHBondContact NZ-O 2.68Å
107	L	85.1	Confident	85.2	Confident	38 Å²	38	53.1 Å²	53.1	20%	0.199	24%	0.237	C	C	.	.	H	α-helix	trans	-64.5	-39.6	178	-174.7	61.7	0	0	0	113.3	L103 R104 R109 D110 I111 E207	L103-L107 WeakPolarHBondContact O-CB 3.07Å; L103-L107 PolarHBondContact O-N 2.99Å; R104-L107 PolarHBondContact O-N 2.81Å; L107-R109 VanDerWaalsContact C-N 3.29Å; L107-R109 PolarHBondContact O-N 3.37Å; L107-D110 PolarHBondContact O-N 2.97Å; L107-I111 HydrophobicContact CD1-CD1 4.13Å; L107-I111 HydrophobicContact CD1-CG1 4.2Å; L107-I111 HydrophobicContact CG-CD1 3.89Å; L107-I111 HydrophobicContact CG-CG1 4.39Å; L107-I111 WeakPolarHBondContact O-CB 3.49Å; L107-I111 WeakPolarHBondContact O-CG1 3.38Å; L107-I111 PolarHBondContact O-N 2.86Å; L107-E207 HydrophobicContact CD1-CG 4.32Å
108	E	89.4	Confident	86.3	Confident	3 Å²	3	55.7 Å²	55.7	1%	0.014	25%	0.254	C	S	.	.	H	α-helix	trans	-55.3	-45.8	171.8	167.8	167.7	-142	0	0	110.9	K90 R104 K106 L112 L135 F202	K90-E108 IonicContact NZ-OE1 3.04Å; K90-E108 PolarHBondContact NZ-OE1 3.3Å; K90-E108 IonicContact NZ-OE2 2.75Å; K90-E108 PolarHBondContact NZ-OE2 3.35Å; R104-E108 WeakPolarHBondContact O-CB 3.3Å; R104-E108 PolarHBondContact O-N 3.28Å; K106-E108 PolarHBondContact O-N 3.1Å; E108-L112 HydrophobicContact CG-CD1 3.87Å; E108-L112 WeakPolarHBondContact O-CB 3.46Å; E108-L112 WeakPolarHBondContact O-CD1 3.3Å; E108-L112 VanDerWaalsContact O-CG 3.25Å; E108-L112 WeakPolarHBondContact O-CG 3.27Å; E108-L112 PolarHBondContact O-N 2.82Å; E108-L112 VanDerWaalsContact O-N 3.11Å; E108-L135 HydrophobicContact CG-CD1 3.98Å; E108-F202 HydrophobicContact CB-CB 4.43Å; E108-F202 HydrophobicContact CG-CB 4.12Å; E108-F202 PolarHBondContact OE1-N 3.39Å
109	R	90.8	Very high	87.2	Confident	25 Å²	25	48.9 Å²	48.9	9%	0.094	23%	0.225	C	C	.	.	H	α-helix	trans	-62.4	-51.3	174.1	-167.9	-70.8	-57	-123.5	1.9	110.7	T105 K106 L107 I111 L112 T113 L123 A126 L135 E376 F377	T105-R109 PolarHBondContact O-N 3.36Å; K106-R109 WeakPolarHBondContact O-CB 3.42Å; K106-R109 PolarHBondContact O-N 3Å; L107-R109 VanDerWaalsContact C-N 3.29Å; L107-R109 PolarHBondContact O-N 3.37Å; R109-I111 VanDerWaalsContact C-N 3.3Å; R109-I111 PolarHBondContact O-N 3.04Å; R109-L112 PolarHBondContact O-N 3.34Å; R109-T113 WeakPolarHBondContact O-CG2 3.46Å; R109-T113 PolarHBondContact O-N 3.32Å; R109-T113 VanDerWaalsContact O-N 3.09Å; R109-T113 PolarHBondContact O-OG1 2.97Å; R109-L123 HydrophobicContact CG-CD2 4.25Å; R109-A126 HydrophobicContact CG-CB 3.76Å; R109-L135 HydrophobicContact CB-CD2 3.99Å; R109-L135 HydrophobicContact CG-CD2 3.82Å; R109-E376 VanDerWaalsContact CZ-O 3.23Å; R109-E376 PolarHBondContact NH1-O 3.2Å; R109-E376 PolarHBondContact NH2-O 3.37Å; R109-F377 HydrophobicContact CB-CD2 4.25Å; R109-F377 HydrophobicContact CB-CE2 3.74Å; R109-F377 HydrophobicContact CB-CZ 4.31Å; R109-F377 HydrophobicContact CG-CD2 4.17Å; R109-F377 HydrophobicContact CG-CE2 3.9Å; R109-F377 HydrophobicContact CG-CZ 4.19Å; R109-F377 VanDerWaalsContact NH1-C 3.28Å; R109-F377 PolarHBondContact NH1-O 3.35Å
110	D	90.1	Very high	88.1	Confident	31 Å²	31	45.1 Å²	45.1	17%	0.166	20%	0.202	C	C	.	.	H	α-helix	trans	-62.7	-34	-175.1	-62.4	-14	0	0	0	112.8	K106 L107 T113 R114	K106-D110 WeakPolarHBondContact CG-OD2 3.3Å; K106-D110 PolarHBondContact O-N 3Å; L107-D110 PolarHBondContact O-N 2.97Å; D110-T113 PolarHBondContact O-OG1 3.01Å; D110-T113 VanDerWaalsContact O-OG1 3.1Å; D110-R114 WeakPolarHBondContact O-CD 3.35Å; D110-R114 WeakPolarHBondContact O-CG 3.13Å
111	I	89.7	Confident	88.9	Confident	1 Å²	1	35.7 Å²	35.7	1%	0.005	17%	0.167	C	C	.	.	H	α-helix	trans	-67.6	-54.9	171.9	-74.3	169.1	0	0	0	110.1	L107 R109 T113 R114 I115 I179 F202	L107-I111 HydrophobicContact CD1-CD1 4.13Å; L107-I111 HydrophobicContact CD1-CG1 4.2Å; L107-I111 HydrophobicContact CG-CD1 3.89Å; L107-I111 HydrophobicContact CG-CG1 4.39Å; L107-I111 WeakPolarHBondContact O-CB 3.49Å; L107-I111 WeakPolarHBondContact O-CG1 3.38Å; L107-I111 PolarHBondContact O-N 2.86Å; R109-I111 VanDerWaalsContact C-N 3.3Å; R109-I111 PolarHBondContact O-N 3.04Å; I111-T113 PolarHBondContact O-N 3.36Å; I111-T113 VanDerWaalsContact O-N 3.15Å; I111-R114 PolarHBondContact O-N 3.44Å; I111-I115 HydrophobicContact CG2-CD1 3.66Å; I111-I115 HydrophobicContact CG2-CG1 4.33Å; I111-I115 HydrophobicContact CG2-CG2 4.43Å; I111-I115 WeakPolarHBondContact O-CG1 3.46Å; I111-I115 PolarHBondContact O-N 3.42Å; I111-I115 VanDerWaalsContact O-N 3.16Å; I111-I179 HydrophobicContact CD1-CG2 4.01Å; I111-I179 HydrophobicContact CG1-CD1 4.19Å; I111-I179 HydrophobicContact CG2-CD1 3.99Å; I111-F202 HydrophobicContact CG2-CD1 3.91Å; I111-F202 HydrophobicContact CG2-CE1 4.49Å; I111-F202 HydrophobicContact CG2-CG 4.45Å
112	L	91.6	Very high	89.8	Confident	2 Å²	2	36.9 Å²	36.9	1%	0.01	17%	0.173	C	C	.	.	H	α-helix	trans	-65.9	-15.3	-174	-74	169.8	0	0	0	114.8	E108 R109 I115 V121 L123 L137 F202	E108-L112 HydrophobicContact CG-CD1 3.87Å; E108-L112 WeakPolarHBondContact O-CB 3.46Å; E108-L112 WeakPolarHBondContact O-CD1 3.3Å; E108-L112 VanDerWaalsContact O-CG 3.25Å; E108-L112 WeakPolarHBondContact O-CG 3.27Å; E108-L112 PolarHBondContact O-N 2.82Å; E108-L112 VanDerWaalsContact O-N 3.11Å; R109-L112 PolarHBondContact O-N 3.34Å; L112-I115 HydrophobicContact CD2-CD1 4.29Å; L112-V121 HydrophobicContact CD2-CG1 3.95Å; L112-V121 WeakPolarHBondContact CD2-O 3.48Å; L112-L123 HydrophobicContact CB-CB 3.77Å; L112-L123 HydrophobicContact CB-CD2 3.86Å; L112-L123 HydrophobicContact CB-CG 4.41Å; L112-L137 HydrophobicContact CD1-CD2 3.99Å; L112-F202 HydrophobicContact CD2-CD2 3.77Å; L112-F202 HydrophobicContact CD2-CE2 4.02Å; L112-F202 HydrophobicContact CD2-CG 4.37Å; L112-F202 HydrophobicContact CG-CD2 4.26Å; L112-F202 HydrophobicContact CG-CG 4.49Å
113	T	90.9	Very high	90.3	Very high	37 Å²	37	35.5 Å²	35.5	23%	0.227	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83	-18.8	171.7	54.4	0	0	0	0	113.7	R109 D110 I111 L123 Y379	R109-T113 WeakPolarHBondContact O-CG2 3.46Å; R109-T113 PolarHBondContact O-N 3.32Å; R109-T113 VanDerWaalsContact O-N 3.09Å; R109-T113 PolarHBondContact O-OG1 2.97Å; D110-T113 PolarHBondContact O-OG1 3.01Å; D110-T113 VanDerWaalsContact O-OG1 3.1Å; I111-T113 PolarHBondContact O-N 3.36Å; I111-T113 VanDerWaalsContact O-N 3.15Å; T113-L123 HydrophobicContact CG2-CD2 3.84Å; T113-Y379 HydrophobicContact CG2-CD1 3.7Å; T113-Y379 HydrophobicContact CG2-CD2 3.49Å; T113-Y379 VanDerWaalsContact CG2-CD2 3.49Å; T113-Y379 HydrophobicContact CG2-CE1 3.77Å; T113-Y379 HydrophobicContact CG2-CE2 3.56Å; T113-Y379 HydrophobicContact CG2-CG 3.54Å
114	R	88.6	Confident	90.8	Very high	164 Å²	164	32.8 Å²	32.8	62%	0.619	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103.9	-30.6	-174.6	-63.8	173.2	-177.8	163	0.7	113.3	D110 I111 E207	D110-R114 WeakPolarHBondContact O-CD 3.35Å; D110-R114 WeakPolarHBondContact O-CG 3.13Å; I111-R114 PolarHBondContact O-N 3.44Å; R114-E207 IonicContact NH1-OE1 2.77Å; R114-E207 PolarHBondContact NH1-OE1 2.98Å
115	I	90.5	Very high	91.5	Very high	5 Å²	5	30.5 Å²	30.5	3%	0.026	14%	0.144	C	C	.	.			trans	-86.7	139.6	-178.5	64	-179.9	0	0	0	112.3	I111 L112 I120 Y173 L174 I179 F202	I111-I115 HydrophobicContact CG2-CD1 3.66Å; I111-I115 HydrophobicContact CG2-CG1 4.33Å; I111-I115 HydrophobicContact CG2-CG2 4.43Å; I111-I115 WeakPolarHBondContact O-CG1 3.46Å; I111-I115 PolarHBondContact O-N 3.42Å; I111-I115 VanDerWaalsContact O-N 3.16Å; L112-I115 HydrophobicContact CD2-CD1 4.29Å; I115-I120 HydrophobicContact CD1-CD1 4.27Å; I115-I120 HydrophobicContact CD1-CG2 3.66Å; I115-I120 HydrophobicContact CG1-CG2 4.39Å; I115-Y173 HydrophobicContact CB-CE1 3.87Å; I115-Y173 HydrophobicContact CG2-CE1 4.01Å; I115-L174 HydrophobicContact CD1-CD2 3.86Å; I115-L174 HydrophobicContact CG2-CD2 4.34Å; I115-I179 HydrophobicContact CG2-CD1 3.96Å; I115-F202 HydrophobicContact CD1-CE1 4.03Å; I115-F202 HydrophobicContact CD1-CZ 4.16Å
116	K	91.2	Very high	91.9	Very high	97 Å²	97	30.2 Å²	30.2	42%	0.422	14%	0.142	S	C	.	.			trans	-142.3	111.2	171.6	-72.2	-64.5	173.4	-174.9	0	109.7	D122 Y173	K116-D122 WeakPolarHBondContact CD-OD1 3.19Å; K116-D122 IonicContact NZ-OD1 3.97Å; K116-D122 PolarHBondContact NZ-OD1 3.13Å; K116-D122 IonicContact NZ-OD2 2.62Å; K116-D122 PolarHBondContact NZ-OD2 2.68Å; K116-Y173 PolarHBondContact N-OH 3.06Å; K116-Y173 VanDerWaalsContact N-OH 3.1Å; K116-Y173 PolarHBondContact O-OH 3.05Å
117	H	94.9	Very high	92.2	Very high	25 Å²	25	28.3 Å²	28.3	12%	0.116	13%	0.134	C	C	.	.			trans	-152.1	138.4	-175	-170.8	-101.1	0	0	0	110	Y119 I120 Y173	H117-Y119 AromaticContact CE1-CD2 3.75Å; H117-Y119 PolarHBondContact ND1-N 3.44Å; H117-Y119 PolarHBondContact O-N 3.12Å; H117-I120 HydrophobicContact CB-CB 4.27Å; H117-I120 HydrophobicContact CB-CD1 3.84Å; H117-I120 HydrophobicContact CB-CG1 4.08Å; H117-I120 PolarHBondContact O-N 3.21Å; H117-I120 VanDerWaalsContact O-N 3.12Å; H117-Y173 HydrophobicContact CB-CD1 3.88Å; H117-Y173 HydrophobicContact CB-CD2 4.39Å; H117-Y173 HydrophobicContact CB-CE1 4.04Å; H117-Y173 HydrophobicContact CB-CG 4.07Å; H117-Y173 AromaticContact CD2-CD2 3.53Å; H117-Y173 AromaticContact CD2-CG 3.49Å; H117-Y173 VanDerWaalsContact CD2-CG 3.49Å; H117-Y173 AromaticContact CG-CG 3.87Å
118	P	95.1	Very high	92.5	Very high	58 Å²	58	28.6 Å²	28.6	38%	0.377	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-15.1	-175.4	24	-35.7	0	0	0	114.7	R198 L328	P118-R198 WeakPolarHBondContact O-CD 3.43Å; P118-R198 PolarHBondContact O-NE 3.26Å; P118-R198 VanDerWaalsContact O-NE 3.15Å; P118-R198 PolarHBondContact O-NH1 2.96Å; P118-R198 PolarHBondContact O-NH2 3.13Å; P118-L328 HydrophobicContact CG-CD1 3.71Å
119	Y	97.1	Very high	92.5	Very high	4 Å²	4	30.9 Å²	30.9	2%	0.016	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.2	20.7	-179.6	-57.4	-48.4	0	0	0	114.3	H117 E166 L169 H196 V197 R198 L199 L327	H117-Y119 AromaticContact CE1-CD2 3.75Å; H117-Y119 PolarHBondContact ND1-N 3.44Å; H117-Y119 PolarHBondContact O-N 3.12Å; Y119-E166 HydrophobicContact CD1-CB 3.98Å; Y119-E166 HydrophobicContact CD1-CG 4.33Å; Y119-E166 HydrophobicContact CD2-CB 3.94Å; Y119-E166 WeakPolarHBondContact CD2-O 3.43Å; Y119-E166 HydrophobicContact CE1-CB 3.91Å; Y119-E166 HydrophobicContact CE1-CG 3.75Å; Y119-E166 WeakPolarHBondContact CE1-OE1 3.02Å; Y119-E166 HydrophobicContact CE2-CB 3.88Å; Y119-E166 HydrophobicContact CE2-CG 4.01Å; Y119-E166 HydrophobicContact CG-CB 3.98Å; Y119-E166 PolarHBondContact OH-OE1 3Å; Y119-L169 HydrophobicContact CD2-CB 4.09Å; Y119-L169 HydrophobicContact CD2-CD1 4.38Å; Y119-L169 HydrophobicContact CE2-CB 4.38Å; Y119-L169 HydrophobicContact CE2-CD1 3.83Å; Y119-H196 HydrophobicContact CE1-CB 4.35Å; Y119-V197 HydrophobicContact CD1-CG2 4.03Å; Y119-V197 HydrophobicContact CG-CG2 4.24Å; Y119-R198 WeakPolarHBondContact O-CA 3.47Å; Y119-L199 PolarHBondContact O-N 3.4Å; Y119-L327 WeakPolarHBondContact OH-CG 2.47Å; Y119-L327 PolarHBondContact OH-O 2.78Å
120	I	96.5	Very high	92.2	Very high	4 Å²	4	36 Å²	36	2%	0.021	17%	0.174	C	C	.	.	B	Isolated β-bridge	trans	-129.5	142.1	177.4	-62	175	0	0	0	109.6	I115 H117 A170 Y173 L174 F202	I115-I120 HydrophobicContact CD1-CD1 4.27Å; I115-I120 HydrophobicContact CD1-CG2 3.66Å; I115-I120 HydrophobicContact CG1-CG2 4.39Å; H117-I120 HydrophobicContact CB-CB 4.27Å; H117-I120 HydrophobicContact CB-CD1 3.84Å; H117-I120 HydrophobicContact CB-CG1 4.08Å; H117-I120 PolarHBondContact O-N 3.21Å; H117-I120 VanDerWaalsContact O-N 3.12Å; I120-A170 HydrophobicContact CD1-CB 4.4Å; I120-A170 HydrophobicContact CG1-CB 3.99Å; I120-Y173 HydrophobicContact CD1-CD1 4.01Å; I120-L174 HydrophobicContact CD1-CD1 4.08Å; I120-L174 HydrophobicContact CD1-CD2 3.91Å; I120-L174 HydrophobicContact CD1-CG 3.77Å; I120-F202 HydrophobicContact CG2-CE1 4.43Å; I120-F202 HydrophobicContact CG2-CE2 3.7Å; I120-F202 HydrophobicContact CG2-CZ 3.41Å; I120-F202 VanDerWaalsContact CG2-CZ 3.41Å
121	V	95.1	Very high	92	Very high	4 Å²	4	34.8 Å²	34.8	2%	0.024	17%	0.168	C	C	.	.	P	Polyproline II helix	trans	-62.9	133.2	-178.8	73.9	0	0	0	0	112.4	L112 L137 E138 L140 L199 F202	L112-V121 HydrophobicContact CD2-CG1 3.95Å; L112-V121 WeakPolarHBondContact CD2-O 3.48Å; V121-L137 HydrophobicContact CG1-CD2 4.41Å; V121-L137 HydrophobicContact CG2-CB 4.08Å; V121-E138 WeakPolarHBondContact CA-OE1 3.32Å; V121-E138 HydrophobicContact CG2-CG 3.59Å; V121-L140 HydrophobicContact CG2-CD1 4.17Å; V121-L199 WeakPolarHBondContact CB-O 3.34Å; V121-L199 WeakPolarHBondContact CG1-O 3.45Å; V121-L199 PolarHBondContact N-O 3.24Å; V121-F202 HydrophobicContact CG1-CE2 4.21Å
122	D	93.7	Very high	92	Very high	44 Å²	44	35.2 Å²	35.2	24%	0.235	17%	0.17	C	C	.	.	P	Polyproline II helix	trans	-85.6	132.9	179.1	-109.3	5.1	0	0	0	113.3	K116 L137 E138	K116-D122 WeakPolarHBondContact CD-OD1 3.19Å; K116-D122 IonicContact NZ-OD1 3.97Å; K116-D122 PolarHBondContact NZ-OD1 3.13Å; K116-D122 IonicContact NZ-OD2 2.62Å; K116-D122 PolarHBondContact NZ-OD2 2.68Å; D122-L137 CarbonylContact O-C 3.52Å; D122-L137 VanDerWaalsContact O-CA 3.26Å; D122-L137 WeakPolarHBondContact O-CA 3.11Å; D122-E138 HydrophobicContact CB-CB 4.39Å; D122-E138 HydrophobicContact CB-CG 4.25Å; D122-E138 PolarHBondContact N-OE1 3.45Å; D122-E138 PolarHBondContact O-N 2.74Å
123	L	94.3	Very high	91.9	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	119.5	169.9	179.3	73	0	0	0	110.6	R109 L112 T113 Y125 L135 L137 Y379	R109-L123 HydrophobicContact CG-CD2 4.25Å; L112-L123 HydrophobicContact CB-CB 3.77Å; L112-L123 HydrophobicContact CB-CD2 3.86Å; L112-L123 HydrophobicContact CB-CG 4.41Å; T113-L123 HydrophobicContact CG2-CD2 3.84Å; L123-Y125 VanDerWaalsContact CD1-O 3.31Å; L123-Y125 WeakPolarHBondContact CD1-O 3.4Å; L123-L135 HydrophobicContact CD1-CB 4Å; L123-L135 HydrophobicContact CD1-CD2 3.91Å; L123-L135 HydrophobicContact CD2-CD2 4.42Å; L123-L137 HydrophobicContact CB-CD2 4.12Å; L123-L137 HydrophobicContact CD1-CD2 3.75Å; L123-Y379 HydrophobicContact CD2-CD1 4.08Å; L123-Y379 HydrophobicContact CD2-CE1 4.25Å; L123-Y379 HydrophobicContact CG-CD1 4.29Å; L123-Y379 HydrophobicContact CG-CE1 4.24Å
124	H	92.4	Very high	92.1	Very high	39 Å²	39	33.7 Å²	33.7	18%	0.181	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	-40.7	180	-73.7	-101.8	0	0	0	112.7	Y87 I136 A381 F384	Y87-H124 HydrophobicContact CE1-CB 3.97Å; Y87-H124 AromaticContact CE1-CD2 3.65Å; Y87-H124 AromaticContact CE1-CE1 3.92Å; Y87-H124 AromaticContact CE1-CG 3.49Å; Y87-H124 VanDerWaalsContact CE1-CG 3.49Å; Y87-H124 AromaticContact CE1-ND1 3.68Å; Y87-H124 AromaticContact CE1-NE2 3.9Å; H124-I136 PolarHBondContact N-O 3.41Å; H124-A381 WeakPolarHBondContact O-CB 3.48Å; H124-A381 PolarHBondContact O-N 2.75Å; H124-F384 HydrophobicContact CB-CE2 4.2Å; H124-F384 AromaticContact ND1-CE2 3.85Å; H124-F384 AromaticContact ND1-CZ 3.53Å
125	Y	93.8	Very high	92.2	Very high	6 Å²	6	25.9 Å²	25.9	2%	0.024	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	147.2	179	-51.2	-90.8	0	0	0	111.1	V53 F58 D82 Y87 L123 I136 Y379 V380 F384	V53-Y125 HydrophobicContact CB-CD1 4.34Å; V53-Y125 HydrophobicContact CG1-CD1 4.14Å; V53-Y125 HydrophobicContact CG1-CG 4.44Å; V53-Y125 HydrophobicContact CG2-CD1 3.86Å; V53-Y125 HydrophobicContact CG2-CE1 3.9Å; F58-Y125 HydrophobicContact CE1-CD2 4.49Å; F58-Y125 AromaticContact CZ-CD2 3.97Å; F58-Y125 HydrophobicContact CZ-CD2 3.97Å; F58-Y125 HydrophobicContact CZ-CE2 4.31Å; F58-Y125 HydrophobicContact CZ-CG 4.4Å; D82-Y125 PolarHBondContact OD1-OH 2.81Å; D82-Y125 PolarHBondContact OD2-OH 2.98Å; Y87-Y125 HydrophobicContact CE2-CE2 4.3Å; L123-Y125 VanDerWaalsContact CD1-O 3.31Å; L123-Y125 WeakPolarHBondContact CD1-O 3.4Å; Y125-I136 HydrophobicContact CD2-CB 4.01Å; Y125-I136 HydrophobicContact CD2-CG1 4.38Å; Y125-I136 HydrophobicContact CD2-CG2 3.92Å; Y125-I136 HydrophobicContact CG-CB 4.43Å; Y125-I136 PolarHBondContact N-O 2.92Å; Y125-I136 PolarHBondContact O-N 2.62Å; Y125-Y379 WeakPolarHBondContact CA-O 3.48Å; Y125-V380 HydrophobicContact CD1-CB 4.31Å; Y125-V380 HydrophobicContact CD1-CG1 3.97Å; Y125-V380 HydrophobicContact CD1-CG2 4.08Å; Y125-V380 HydrophobicContact CE1-CG1 3.72Å; Y125-V380 HydrophobicContact CE1-CG2 4.45Å; Y125-F384 HydrophobicContact CE1-CD2 4.15Å; Y125-F384 HydrophobicContact CE1-CE2 4.09Å; Y125-F384 AromaticContact CE2-CE2 3.88Å; Y125-F384 HydrophobicContact CE2-CE2 3.88Å; Y125-F384 HydrophobicContact CE2-CZ 4.13Å; Y125-F384 AromaticContact CZ-CD2 3.93Å; Y125-F384 AromaticContact CZ-CE2 3.51Å; Y125-F384 AromaticContact CZ-CZ 3.93Å; Y125-F384 WeakPolarHBondContact OH-CE2 3.1Å; Y125-F384 WeakPolarHBondContact OH-CZ 3.16Å
126	A	93.2	Very high	92.5	Very high	2 Å²	2	25.6 Å²	25.6	2%	0.017	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	141.4	161	0	0	0	0	0	109.1	R109 Y134 L135 F377 S378 Y379	R109-A126 HydrophobicContact CG-CB 3.76Å; A126-Y134 WeakPolarHBondContact CA-O 3.39Å; A126-L135 HydrophobicContact CB-CD2 3.73Å; A126-F377 HydrophobicContact CB-CD1 4.28Å; A126-F377 HydrophobicContact CB-CE1 3.94Å; A126-F377 HydrophobicContact CB-CZ 4.47Å; A126-F377 WeakPolarHBondContact CB-O 3.28Å; A126-S378 CarbonylContact O-C 3.59Å; A126-S378 VanDerWaalsContact O-CA 3.25Å; A126-S378 WeakPolarHBondContact O-CA 3.36Å; A126-Y379 PolarHBondContact N-O 2.71Å; A126-Y379 PolarHBondContact O-N 3.22Å
127	F	93	Very high	92.6	Very high	6 Å²	6	21.5 Å²	21.5	3%	0.026	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	173.8	175.2	54.4	-93.9	0	0	0	111	V53 P55 F58 M89 Y134 I136 F377	V53-F127 HydrophobicContact CB-CD1 4.5Å; V53-F127 HydrophobicContact CG1-CD1 3.87Å; V53-F127 HydrophobicContact CG1-CE1 3.86Å; P55-F127 HydrophobicContact CB-CE2 4.45Å; P55-F127 HydrophobicContact CG-CE2 3.84Å; F58-F127 HydrophobicContact CD2-CE1 4.26Å; F58-F127 HydrophobicContact CD2-CZ 4.04Å; F58-F127 AromaticContact CE2-CE1 3.55Å; F58-F127 HydrophobicContact CE2-CE1 3.55Å; F58-F127 AromaticContact CE2-CZ 3.8Å; F58-F127 HydrophobicContact CE2-CZ 3.8Å; F58-F127 HydrophobicContact CZ-CE1 4.29Å; M89-F127 HydrophobicContact CE-CZ 4.3Å; F127-Y134 AromaticContact CD2-CD2 3.69Å; F127-Y134 HydrophobicContact CD2-CD2 3.69Å; F127-Y134 AromaticContact CD2-CG 3.76Å; F127-Y134 HydrophobicContact CD2-CG 3.76Å; F127-Y134 VanDerWaalsContact CE2-CB 3.41Å; F127-Y134 AromaticContact CE2-CD1 3.74Å; F127-Y134 HydrophobicContact CE2-CD1 3.74Å; F127-Y134 AromaticContact CE2-CD2 3.6Å; F127-Y134 HydrophobicContact CE2-CD2 3.6Å; F127-Y134 HydrophobicContact CE2-CE1 4.41Å; F127-Y134 HydrophobicContact CE2-CE2 4.29Å; F127-Y134 AromaticContact CE2-CG 3.31Å; F127-Y134 HydrophobicContact CE2-CG 3.31Å; F127-Y134 HydrophobicContact CZ-CD1 4.18Å; F127-Y134 AromaticContact CZ-CG 3.97Å; F127-Y134 HydrophobicContact CZ-CG 3.97Å; F127-Y134 PolarHBondContact N-O 2.87Å; F127-Y134 PolarHBondContact O-N 2.93Å; F127-I136 HydrophobicContact CD1-CG1 4.43Å; F127-I136 HydrophobicContact CE1-CD1 3.83Å; F127-I136 HydrophobicContact CE1-CG1 3.6Å; F127-I136 HydrophobicContact CZ-CD1 4Å; F127-I136 HydrophobicContact CZ-CG1 4.3Å; F127-F377 WeakPolarHBondContact O-CE1 3.29Å
128	Q	91.1	Very high	92.5	Very high	44 Å²	44	22.3 Å²	22.3	21%	0.206	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	153.4	-173.1	61.9	-179.1	-39.2	0	0	112.1	K132 V133 F374 F377	Q128-K132 WeakPolarHBondContact CA-O 3.41Å; Q128-V133 HydrophobicContact CB-CG1 4.09Å; Q128-F374 PolarHBondContact NE2-O 3.32Å; Q128-F374 VanDerWaalsContact OE1-CB 3.23Å; Q128-F374 PolarHBondContact OE1-O 3.37Å; Q128-F377 HydrophobicContact CB-CD1 4.32Å
129	T	88.6	Confident	92.5	Very high	50 Å²	50	20.7 Å²	20.7	31%	0.307	10%	0.102	S	C	.	.			trans	-116.2	-176.5	166.6	61.7	0	0	0	0	109	P55 K94 G131 K132 Y134	P55-T129 HydrophobicContact CG-CG2 4.15Å; K94-T129 WeakPolarHBondContact CE-O 3.44Å; K94-T129 PolarHBondContact NZ-O 3.45Å; T129-G131 VanDerWaalsContact C-N 3.27Å; T129-G131 PolarHBondContact O-N 3.39Å; T129-K132 PolarHBondContact N-O 3.43Å; T129-K132 PolarHBondContact OG1-N 2.67Å; T129-Y134 HydrophobicContact CG2-CE2 3.91Å
130	E	85.3	Confident	92.3	Very high	134 Å²	134	20.9 Å²	20.9	63%	0.626	10%	0.104	S	C	*	.	S	Bend	trans	-60	-37.6	177.4	-59.8	-171.4	160.4	0	0	113.2	P365 A366 H371	E130-P365 HydrophobicContact CB-CB 3.93Å; E130-A366 PolarHBondContact O-N 2.78Å; E130-H371 PolarHBondContact O-ND1 3.21Å
131	G	85.3	Confident	92	Very high	4 Å²	4	22.8 Å²	22.8	4%	0.041	11%	0.11	C	C	.	.	S	Bend	trans	-104.3	-11.6	-176	0	0	0	0	0	116.2	K94 T129 P364	K94-G131 WeakPolarHBondContact CB-O 3.39Å; K94-G131 PolarHBondContact N-O 3.14Å; T129-G131 VanDerWaalsContact C-N 3.27Å; T129-G131 PolarHBondContact O-N 3.39Å; G131-P364 WeakPolarHBondContact CA-O 3.44Å
132	K	89.7	Confident	91.7	Very high	11 Å²	11	23 Å²	23	5%	0.048	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	162.1	-171.5	-62.4	166.6	-175.3	175.2	0	113.7	V91 L92 K93 K94 Q128 T129 Y134 D360 S361 C363	V91-K132 HydrophobicContact CG1-CB 4.45Å; V91-K132 HydrophobicContact CG1-CD 4.05Å; V91-K132 HydrophobicContact CG1-CG 4.5Å; L92-K132 VanDerWaalsContact O-CA 3.27Å; L92-K132 WeakPolarHBondContact O-CA 3.47Å; K93-K132 HydrophobicContact CG-CG 4.49Å; K94-K132 WeakPolarHBondContact CE-O 3.34Å; Q128-K132 WeakPolarHBondContact CA-O 3.41Å; T129-K132 PolarHBondContact N-O 3.43Å; T129-K132 PolarHBondContact OG1-N 2.67Å; K132-Y134 HydrophobicContact CB-CD2 4.39Å; K132-Y134 HydrophobicContact CB-CE2 3.63Å; K132-Y134 HydrophobicContact CD-CE2 4.29Å; K132-Y134 WeakPolarHBondContact CD-OH 3.34Å; K132-D360 WeakPolarHBondContact CE-OD1 3.16Å; K132-D360 PolarHBondContact NZ-O 2.78Å; K132-D360 VanDerWaalsContact NZ-O 3.13Å; K132-D360 IonicContact NZ-OD1 3.22Å; K132-D360 PolarHBondContact NZ-OD1 2.86Å; K132-D360 IonicContact NZ-OD2 3.71Å; K132-D360 PolarHBondContact NZ-OD2 2.71Å; K132-S361 WeakPolarHBondContact CE-O 3.38Å; K132-S361 PolarHBondContact NZ-O 2.91Å; K132-C363 HydrophobicContact CG-CB 4.19Å
133	V	90.8	Very high	91.5	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	146.8	167.1	-65.7	0	0	0	0	110.1	L92 K94 T105 Q128 F374 F377	L92-V133 HydrophobicContact CB-CG2 3.87Å; L92-V133 HydrophobicContact CD1-CG2 4.15Å; L92-V133 PolarHBondContact N-O 2.82Å; L92-V133 PolarHBondContact O-N 3.23Å; K94-V133 HydrophobicContact CD-CG1 4.36Å; K94-V133 VanDerWaalsContact CE-CG1 3.42Å; K94-V133 HydrophobicContact CG-CG1 4.06Å; T105-V133 HydrophobicContact CG2-CG2 3.86Å; Q128-V133 HydrophobicContact CB-CG1 4.09Å; V133-F374 HydrophobicContact CG1-CB 4.47Å; V133-F374 HydrophobicContact CG1-CD1 3.71Å; V133-F374 HydrophobicContact CG1-CD2 4.22Å; V133-F374 HydrophobicContact CG1-CE1 3.86Å; V133-F374 HydrophobicContact CG1-CE2 4.35Å; V133-F374 HydrophobicContact CG1-CG 3.89Å; V133-F374 HydrophobicContact CG1-CZ 4.17Å; V133-F374 HydrophobicContact CG2-CE1 4.41Å; V133-F377 HydrophobicContact CB-CD1 4.32Å; V133-F377 HydrophobicContact CB-CE1 3.72Å; V133-F377 HydrophobicContact CB-CZ 3.82Å; V133-F377 HydrophobicContact CG1-CD1 4.23Å; V133-F377 HydrophobicContact CG1-CE1 4.12Å; V133-F377 HydrophobicContact CG1-CZ 4.31Å; V133-F377 HydrophobicContact CG2-CZ 4.36Å
134	Y	93.2	Very high	91.3	Very high	6 Å²	6	22.6 Å²	22.6	2%	0.024	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	128.3	-172.5	-61.3	-102.6	0	0	0	109.4	P55 M89 K90 V91 A126 F127 T129 K132 D360	P55-Y134 HydrophobicContact CB-CE1 4.44Å; P55-Y134 HydrophobicContact CG-CE1 4.1Å; P55-Y134 HydrophobicContact CG-CE2 4.04Å; M89-Y134 HydrophobicContact CG-CD1 4.15Å; M89-Y134 HydrophobicContact SD-CD1 3.81Å; M89-Y134 HydrophobicContact SD-CE1 4.15Å; K90-Y134 WeakPolarHBondContact O-CA 3.48Å; V91-Y134 HydrophobicContact CB-CD1 4.32Å; V91-Y134 HydrophobicContact CB-CE1 4.33Å; V91-Y134 HydrophobicContact CG1-CD1 3.99Å; V91-Y134 HydrophobicContact CG1-CE1 3.63Å; V91-Y134 HydrophobicContact CG2-CD1 3.62Å; V91-Y134 HydrophobicContact CG2-CE1 3.74Å; A126-Y134 WeakPolarHBondContact CA-O 3.39Å; F127-Y134 AromaticContact CD2-CD2 3.69Å; F127-Y134 HydrophobicContact CD2-CD2 3.69Å; F127-Y134 AromaticContact CD2-CG 3.76Å; F127-Y134 HydrophobicContact CD2-CG 3.76Å; F127-Y134 VanDerWaalsContact CE2-CB 3.41Å; F127-Y134 AromaticContact CE2-CD1 3.74Å; F127-Y134 HydrophobicContact CE2-CD1 3.74Å; F127-Y134 AromaticContact CE2-CD2 3.6Å; F127-Y134 HydrophobicContact CE2-CD2 3.6Å; F127-Y134 HydrophobicContact CE2-CE1 4.41Å; F127-Y134 HydrophobicContact CE2-CE2 4.29Å; F127-Y134 AromaticContact CE2-CG 3.31Å; F127-Y134 HydrophobicContact CE2-CG 3.31Å; F127-Y134 HydrophobicContact CZ-CD1 4.18Å; F127-Y134 AromaticContact CZ-CG 3.97Å; F127-Y134 HydrophobicContact CZ-CG 3.97Å; F127-Y134 PolarHBondContact N-O 2.87Å; F127-Y134 PolarHBondContact O-N 2.93Å; T129-Y134 HydrophobicContact CG2-CE2 3.91Å; K132-Y134 HydrophobicContact CB-CD2 4.39Å; K132-Y134 HydrophobicContact CB-CE2 3.63Å; K132-Y134 HydrophobicContact CD-CE2 4.29Å; K132-Y134 WeakPolarHBondContact CD-OH 3.34Å; Y134-D360 WeakPolarHBondContact CE1-OD2 3.41Å; Y134-D360 PolarHBondContact OH-OD2 3.24Å
135	L	92.6	Very high	91.2	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	127.5	168.6	-62.5	173.1	0	0	0	108.1	M89 K90 E108 R109 L123 A126 F377	M89-L135 CarbonylContact C-O 3.48Å; M89-L135 WeakPolarHBondContact CA-O 3.43Å; K90-L135 HydrophobicContact CB-CB 4.32Å; K90-L135 HydrophobicContact CD-CD1 4.39Å; K90-L135 PolarHBondContact N-O 3.08Å; K90-L135 PolarHBondContact O-N 3.26Å; E108-L135 HydrophobicContact CG-CD1 3.98Å; R109-L135 HydrophobicContact CB-CD2 3.99Å; R109-L135 HydrophobicContact CG-CD2 3.82Å; L123-L135 HydrophobicContact CD1-CB 4Å; L123-L135 HydrophobicContact CD1-CD2 3.91Å; L123-L135 HydrophobicContact CD2-CD2 4.42Å; A126-L135 HydrophobicContact CB-CD2 3.73Å; L135-F377 HydrophobicContact CD2-CE1 4.15Å; L135-F377 HydrophobicContact CD2-CE2 4.37Å; L135-F377 HydrophobicContact CD2-CZ 3.57Å; L135-F377 HydrophobicContact CG-CZ 4.1Å
136	I	94.9	Very high	90.8	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	102	179.3	-48.7	-57.5	0	0	0	107.8	F58 Y87 M89 H124 Y125 F127	F58-I136 HydrophobicContact CE1-CD1 4.47Å; F58-I136 HydrophobicContact CE1-CG1 4.34Å; F58-I136 HydrophobicContact CE1-CG2 3.89Å; F58-I136 HydrophobicContact CE2-CD1 4.3Å; F58-I136 HydrophobicContact CE2-CG1 4.23Å; F58-I136 HydrophobicContact CZ-CD1 4.22Å; F58-I136 HydrophobicContact CZ-CG1 3.86Å; F58-I136 HydrophobicContact CZ-CG2 4.13Å; Y87-I136 VanDerWaalsContact CB-CG2 3.44Å; Y87-I136 HydrophobicContact CD1-CG2 4.06Å; Y87-I136 HydrophobicContact CD2-CG2 3.95Å; Y87-I136 HydrophobicContact CG-CG2 3.55Å; M89-I136 HydrophobicContact CB-CD1 3.76Å; M89-I136 HydrophobicContact CE-CD1 3.68Å; M89-I136 HydrophobicContact CG-CD1 3.55Å; M89-I136 HydrophobicContact SD-CD1 4.44Å; H124-I136 PolarHBondContact N-O 3.41Å; Y125-I136 HydrophobicContact CD2-CB 4.01Å; Y125-I136 HydrophobicContact CD2-CG1 4.38Å; Y125-I136 HydrophobicContact CD2-CG2 3.92Å; Y125-I136 HydrophobicContact CG-CB 4.43Å; Y125-I136 PolarHBondContact N-O 2.92Å; Y125-I136 PolarHBondContact O-N 2.62Å; F127-I136 HydrophobicContact CD1-CG1 4.43Å; F127-I136 HydrophobicContact CE1-CD1 3.83Å; F127-I136 HydrophobicContact CE1-CG1 3.6Å; F127-I136 HydrophobicContact CZ-CD1 4Å; F127-I136 HydrophobicContact CZ-CG1 4.3Å
137	L	94.3	Very high	90.1	Very high	10 Å²	10	24.4 Å²	24.4	5%	0.052	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	159.8	-176.8	-57.4	170.1	0	0	0	110.2	Y87 A88 L112 V121 D122 L123	Y87-L137 WeakPolarHBondContact CA-O 3.41Å; Y87-L137 WeakPolarHBondContact CB-O 3.25Å; Y87-L137 WeakPolarHBondContact CD1-O 3.33Å; A88-L137 HydrophobicContact CB-CB 4.33Å; A88-L137 PolarHBondContact N-O 3.44Å; A88-L137 PolarHBondContact O-N 3.27Å; L112-L137 HydrophobicContact CD1-CD2 3.99Å; V121-L137 HydrophobicContact CG1-CD2 4.41Å; V121-L137 HydrophobicContact CG2-CB 4.08Å; D122-L137 CarbonylContact O-C 3.52Å; D122-L137 VanDerWaalsContact O-CA 3.26Å; D122-L137 WeakPolarHBondContact O-CA 3.11Å; L123-L137 HydrophobicContact CB-CD2 4.12Å; L123-L137 HydrophobicContact CD1-CD2 3.75Å
138	E	93.5	Very high	89.7	Confident	42 Å²	42	24.7 Å²	24.7	20%	0.196	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54	148.5	167	64.3	168.3	165.2	0	0	111.6	V121 D122 L140 R198	V121-E138 WeakPolarHBondContact CA-OE1 3.32Å; V121-E138 HydrophobicContact CG2-CG 3.59Å; D122-E138 HydrophobicContact CB-CB 4.39Å; D122-E138 HydrophobicContact CB-CG 4.25Å; D122-E138 PolarHBondContact N-OE1 3.45Å; D122-E138 PolarHBondContact O-N 2.74Å; E138-L140 HydrophobicContact CG-CD1 4.25Å; E138-L140 HydrophobicContact CG-CD2 4.32Å; E138-L140 HydrophobicContact CG-CG 4.1Å; E138-R198 WeakPolarHBondContact OE1-CD 3.5Å; E138-R198 IonicContact OE1-NE 2.84Å; E138-R198 PolarHBondContact OE1-NE 3.33Å
139	F	93.7	Very high	89.1	Confident	24 Å²	24	23.2 Å²	23.2	11%	0.105	12%	0.117	C	C	.	.			trans	-99	113.8	178.8	176.6	-118.8	0	0	0	111.7	I64 L74 L86 R141 F349	I64-F139 HydrophobicContact CD1-CD2 4.08Å; I64-F139 HydrophobicContact CD1-CE2 3.92Å; L74-F139 HydrophobicContact CB-CE2 4.44Å; L74-F139 HydrophobicContact CD1-CB 4.33Å; L74-F139 HydrophobicContact CD1-CD1 3.7Å; L74-F139 HydrophobicContact CD1-CD2 3.71Å; L74-F139 HydrophobicContact CD1-CE1 3.85Å; L74-F139 HydrophobicContact CD1-CE2 3.87Å; L74-F139 HydrophobicContact CD1-CG 3.62Å; L74-F139 HydrophobicContact CD1-CZ 3.95Å; L74-F139 HydrophobicContact CD2-CE1 3.91Å; L74-F139 HydrophobicContact CD2-CE2 4.12Å; L74-F139 HydrophobicContact CD2-CZ 3.66Å; L74-F139 HydrophobicContact CG-CE2 4.38Å; L74-F139 HydrophobicContact CG-CZ 4.34Å; L86-F139 HydrophobicContact CB-CB 4.43Å; L86-F139 HydrophobicContact CB-CD1 4.17Å; L86-F139 HydrophobicContact CD1-CD1 4.38Å; F139-R141 HydrophobicContact CD1-CG 3.99Å; F139-R141 HydrophobicContact CE1-CG 3.65Å; F139-R141 HydrophobicContact CZ-CG 4.45Å; F139-F349 HydrophobicContact CD2-CZ 4.2Å; F139-F349 HydrophobicContact CE2-CD2 4.43Å; F139-F349 HydrophobicContact CE2-CE1 4.12Å; F139-F349 AromaticContact CE2-CE2 3.5Å; F139-F349 HydrophobicContact CE2-CE2 3.5Å; F139-F349 AromaticContact CE2-CZ 3.3Å; F139-F349 HydrophobicContact CE2-CZ 3.3Å; F139-F349 HydrophobicContact CZ-CD2 4.29Å; F139-F349 AromaticContact CZ-CE2 3.46Å; F139-F349 HydrophobicContact CZ-CE2 3.46Å; F139-F349 VanDerWaalsContact CZ-CE2 3.46Å; F139-F349 AromaticContact CZ-CZ 3.79Å; F139-F349 HydrophobicContact CZ-CZ 3.79Å
140	L	93.2	Very high	88.3	Confident	8 Å²	8	23.9 Å²	23.9	4%	0.042	12%	0.123	C	C	.	.			trans	-101.7	95.6	-171.8	-67.6	164.3	0	0	0	111.7	V121 E138 G142 G143 L190 L191 N192 R198 F349	V121-L140 HydrophobicContact CG2-CD1 4.17Å; E138-L140 HydrophobicContact CG-CD1 4.25Å; E138-L140 HydrophobicContact CG-CD2 4.32Å; E138-L140 HydrophobicContact CG-CG 4.1Å; L140-G142 PolarHBondContact O-N 2.96Å; L140-G142 VanDerWaalsContact O-N 3.13Å; L140-G143 PolarHBondContact O-N 2.95Å; L140-L190 HydrophobicContact CB-CB 4.17Å; L140-L190 HydrophobicContact CB-CD1 4.37Å; L140-L190 HydrophobicContact CD1-CB 3.74Å; L140-L190 HydrophobicContact CD1-CD1 3.82Å; L140-L190 HydrophobicContact CD1-CG 4.42Å; L140-L191 CarbonylContact C-O 3.49Å; L140-N192 HydrophobicContact CD2-CB 3.86Å; L140-R198 HydrophobicContact CD1-CB 3.53Å; L140-R198 HydrophobicContact CD1-CG 3.58Å; L140-R198 HydrophobicContact CD2-CB 4.49Å; L140-R198 HydrophobicContact CD2-CG 3.62Å; L140-R198 HydrophobicContact CG-CG 4.25Å; L140-F349 VanDerWaalsContact O-CZ 3.22Å; L140-F349 WeakPolarHBondContact O-CZ 3.35Å
141	R	90.4	Very high	87.6	Confident	44 Å²	44	24.2 Å²	24.2	17%	0.166	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-21.9	-170.1	-71.3	-179.1	172.9	138	4	115.8	F139 G143 E193 I343 N348	F139-R141 HydrophobicContact CD1-CG 3.99Å; F139-R141 HydrophobicContact CE1-CG 3.65Å; F139-R141 HydrophobicContact CZ-CG 4.45Å; R141-G143 VanDerWaalsContact C-N 3.25Å; R141-G143 PolarHBondContact O-N 3.45Å; R141-E193 HydrophobicContact CB-CB 4.32Å; R141-E193 WeakPolarHBondContact CD-OE2 3.45Å; R141-E193 IonicContact CZ-OE2 3.56Å; R141-E193 IonicContact NE-OE2 3.61Å; R141-E193 IonicContact NH1-OE1 2.71Å; R141-E193 IonicContact NH1-OE2 2.67Å; R141-E193 PolarHBondContact NH1-OE2 3.19Å; R141-I343 PolarHBondContact NE-O 3.2Å; R141-I343 PolarHBondContact NH2-O 3.37Å; R141-N348 WeakPolarHBondContact O-CB 3.48Å; R141-N348 PolarHBondContact O-ND2 3.39Å
142	G	88.5	Confident	86.7	Confident	8 Å²	8	26.9 Å²	26.9	8%	0.082	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-11.3	-177.8	0	0	0	0	0	114.7	L140 L191 N348	L140-G142 PolarHBondContact O-N 2.96Å; L140-G142 VanDerWaalsContact O-N 3.13Å; G142-L191 WeakPolarHBondContact CA-O 3.46Å; G142-L191 PolarHBondContact N-O 3.27Å; G142-N348 WeakPolarHBondContact O-CB 3.18Å
143	G	89.8	Confident	85.4	Confident	1 Å²	1	29.4 Å²	29.4	1%	0.01	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	73.8	-163.4	-175.7	0	0	0	0	0	112.4	L140 R141 L190 L191	L140-G143 PolarHBondContact O-N 2.95Å; R141-G143 VanDerWaalsContact C-N 3.25Å; R141-G143 PolarHBondContact O-N 3.45Å; G143-L190 CarbonylContact O-C 3.52Å; G143-L190 VanDerWaalsContact O-CA 3.3Å; G143-L190 WeakPolarHBondContact O-CA 3.48Å; G143-L191 PolarHBondContact O-N 2.84Å
144	D	90.1	Very high	84.7	Confident	36 Å²	36	32.1 Å²	32.1	19%	0.193	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	152.5	179.1	54.6	81	0	0	0	113.9	F146 S147 R148 V189 L190	D144-F146 PolarHBondContact O-N 3.02Å; D144-F146 WeakPolarHBondContact OD1-CB 3.49Å; D144-S147 WeakPolarHBondContact O-CB 3.43Å; D144-S147 PolarHBondContact O-N 3.3Å; D144-S147 WeakPolarHBondContact OD1-CB 3.44Å; D144-S147 PolarHBondContact OD1-N 2.83Å; D144-S147 PolarHBondContact OD1-OG 3.16Å; D144-S147 PolarHBondContact OD2-OG 2.74Å; D144-R148 PolarHBondContact O-N 2.91Å; D144-V189 WeakPolarHBondContact CA-O 3.42Å; D144-L190 HydrophobicContact CB-CD2 3.73Å
145	L	90.2	Very high	84.2	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-66.6	-27.6	-179.9	-160	67	0	0	0	112	S147 R148 L149 F155 Y163 P186 V189 L191 L253	L145-S147 VanDerWaalsContact C-N 3.34Å; L145-S147 PolarHBondContact O-N 3.15Å; L145-R148 PolarHBondContact O-N 3.31Å; L145-L149 WeakPolarHBondContact O-CB 3.5Å; L145-L149 PolarHBondContact O-N 3.17Å; L145-F155 HydrophobicContact CD1-CE2 3.67Å; L145-F155 HydrophobicContact CD1-CZ 4Å; L145-F155 HydrophobicContact CD2-CE2 4.27Å; L145-F155 HydrophobicContact CG-CE2 3.87Å; L145-F155 HydrophobicContact CG-CZ 4.28Å; L145-Y163 HydrophobicContact CD1-CD2 4.47Å; L145-Y163 HydrophobicContact CD1-CE2 4.41Å; L145-P186 HydrophobicContact CB-CB 4.43Å; L145-P186 PolarHBondContact N-O 3.29Å; L145-V189 HydrophobicContact CB-CB 4.03Å; L145-V189 HydrophobicContact CB-CG1 4.24Å; L145-V189 HydrophobicContact CD2-CB 4.32Å; L145-V189 HydrophobicContact CD2-CG1 4.08Å; L145-V189 PolarHBondContact N-O 3.32Å; L145-L191 HydrophobicContact CD1-CD1 4.22Å; L145-L191 HydrophobicContact CD1-CD2 4.27Å; L145-L191 HydrophobicContact CD1-CG 4.47Å; L145-L253 HydrophobicContact CD2-CD1 3.9Å; L145-L253 HydrophobicContact CD2-CD2 3.92Å; L145-L253 HydrophobicContact CG-CD2 4.28Å
146	F	86.3	Confident	84.1	Confident	55 Å²	55	33.2 Å²	33.2	24%	0.241	16%	0.164	C	C	.	.	H	α-helix	trans	-58.6	-43.8	171.6	-177.2	-92.8	0	0	0	112.1	D144 R148 L149 S150 P186 E187	D144-F146 PolarHBondContact O-N 3.02Å; D144-F146 WeakPolarHBondContact OD1-CB 3.49Å; F146-R148 VanDerWaalsContact C-N 3.29Å; F146-R148 PolarHBondContact O-N 2.99Å; F146-L149 PolarHBondContact O-N 3.06Å; F146-S150 WeakPolarHBondContact CE1-OG 2.93Å; F146-S150 VanDerWaalsContact O-CB 3.31Å; F146-S150 WeakPolarHBondContact O-CB 3.39Å; F146-S150 PolarHBondContact O-N 3.11Å; F146-S150 PolarHBondContact O-OG 2.86Å; F146-P186 HydrophobicContact CB-CB 3.8Å; F146-P186 HydrophobicContact CD2-CB 4.37Å; F146-P186 PolarHBondContact N-O 2.84Å; F146-P186 VanDerWaalsContact N-O 3.15Å; F146-E187 HydrophobicContact CB-CB 4.49Å; F146-E187 HydrophobicContact CB-CG 3.85Å; F146-E187 HydrophobicContact CD1-CG 4.47Å; F146-E187 HydrophobicContact CD2-CG 4.16Å; F146-E187 HydrophobicContact CG-CG 3.9Å
147	S	78.5	Confident	83.9	Confident	30 Å²	30	35.5 Å²	35.5	21%	0.21	18%	0.175	C	C	.	.	H	α-helix	trans	-69.2	-25.5	178	-66.8	0	0	0	0	112.7	D144 L145 K151	D144-S147 WeakPolarHBondContact O-CB 3.43Å; D144-S147 PolarHBondContact O-N 3.3Å; D144-S147 WeakPolarHBondContact OD1-CB 3.44Å; D144-S147 PolarHBondContact OD1-N 2.83Å; D144-S147 PolarHBondContact OD1-OG 3.16Å; D144-S147 PolarHBondContact OD2-OG 2.74Å; L145-S147 VanDerWaalsContact C-N 3.34Å; L145-S147 PolarHBondContact O-N 3.15Å; S147-K151 VanDerWaalsContact O-CD 3.28Å; S147-K151 WeakPolarHBondContact O-CD 3.35Å; S147-K151 WeakPolarHBondContact O-CE 3.37Å; S147-K151 VanDerWaalsContact O-CG 3.29Å; S147-K151 WeakPolarHBondContact O-CG 3.47Å
148	R	82.6	Confident	83.8	Confident	12 Å²	12	40 Å²	40	5%	0.045	20%	0.199	C	C	.	.	H	α-helix	trans	-76.5	-50.9	169.5	-170.9	-172.6	167.9	-154.6	-18	111	D144 L145 F146 S150 K151 E152 F155 D159 Y163 F336	D144-R148 PolarHBondContact O-N 2.91Å; L145-R148 PolarHBondContact O-N 3.31Å; F146-R148 VanDerWaalsContact C-N 3.29Å; F146-R148 PolarHBondContact O-N 2.99Å; R148-S150 PolarHBondContact O-N 3.35Å; R148-K151 WeakPolarHBondContact O-CB 3.43Å; R148-K151 PolarHBondContact O-N 3.21Å; R148-E152 WeakPolarHBondContact CG-OE1 3.31Å; R148-E152 IonicContact CZ-OE1 3.83Å; R148-E152 IonicContact CZ-OE2 3.51Å; R148-E152 VanDerWaalsContact CZ-OE2 3.22Å; R148-E152 VanDerWaalsContact NE-CD 3.28Å; R148-E152 IonicContact NE-OE1 2.65Å; R148-E152 PolarHBondContact NE-OE1 3.09Å; R148-E152 IonicContact NE-OE2 3.64Å; R148-E152 PolarHBondContact NE-OE2 3.41Å; R148-E152 IonicContact NH2-OE1 2.63Å; R148-E152 IonicContact NH2-OE2 2.85Å; R148-E152 PolarHBondContact NH2-OE2 2.73Å; R148-E152 PolarHBondContact O-N 3.45Å; R148-F155 HydrophobicContact CB-CE1 4.41Å; R148-F155 HydrophobicContact CB-CZ 3.96Å; R148-F155 HydrophobicContact CG-CE1 3.8Å; R148-F155 HydrophobicContact CG-CZ 3.72Å; R148-D159 IonicContact CZ-OD2 3.76Å; R148-D159 IonicContact NH1-OD2 3.46Å; R148-D159 PolarHBondContact NH1-OD2 2.97Å; R148-D159 IonicContact NH2-OD2 3.99Å; R148-D159 PolarHBondContact NH2-OD2 3.04Å; R148-Y163 PolarHBondContact NH1-OH 2.63Å; R148-F336 HydrophobicContact CG-CE1 4.45Å
149	L	79.8	Confident	83.8	Confident	12 Å²	12	38.7 Å²	38.7	6%	0.063	19%	0.193	C	C	.	.	H	α-helix	trans	-55.2	-40.4	176.7	-176.5	69.3	0	0	0	111.7	L145 F146 K151 E152 Y153 F155 E252 L253	L145-L149 WeakPolarHBondContact O-CB 3.5Å; L145-L149 PolarHBondContact O-N 3.17Å; F146-L149 PolarHBondContact O-N 3.06Å; L149-K151 PolarHBondContact O-N 3.44Å; L149-E152 PolarHBondContact O-N 3.08Å; L149-Y153 WeakPolarHBondContact CD1-O 3.31Å; L149-Y153 VanDerWaalsContact O-CA 3.26Å; L149-Y153 WeakPolarHBondContact O-CA 3.44Å; L149-Y153 PolarHBondContact O-N 3.22Å; L149-F155 HydrophobicContact CB-CE1 4.45Å; L149-F155 HydrophobicContact CB-CZ 4.17Å; L149-F155 HydrophobicContact CD1-CE1 4.38Å; L149-E252 HydrophobicContact CD2-CG 3.89Å; L149-L253 HydrophobicContact CD1-CD2 4.21Å; L149-L253 HydrophobicContact CD2-CD2 4.24Å
150	S	71.7	Confident	83.9	Confident	64 Å²	64	37.6 Å²	37.6	45%	0.448	19%	0.188	S	C	.	.	H	α-helix	trans	-63.3	-22.7	176.6	-61.7	0	0	0	0	114.1	F146 R148	F146-S150 WeakPolarHBondContact CE1-OG 2.93Å; F146-S150 VanDerWaalsContact O-CB 3.31Å; F146-S150 WeakPolarHBondContact O-CB 3.39Å; F146-S150 PolarHBondContact O-N 3.11Å; F146-S150 PolarHBondContact O-OG 2.86Å; R148-S150 PolarHBondContact O-N 3.35Å
151	K	69.5	Low	84.1	Confident	141 Å²	141	38.2 Å²	38.2	61%	0.613	19%	0.19	S	C	*	.	H	α-helix	trans	-91.3	-35.9	177.8	-67.1	165.9	-172	168.8	0	112.3	S147 R148 L149	S147-K151 VanDerWaalsContact O-CD 3.28Å; S147-K151 WeakPolarHBondContact O-CD 3.35Å; S147-K151 WeakPolarHBondContact O-CE 3.37Å; S147-K151 VanDerWaalsContact O-CG 3.29Å; S147-K151 WeakPolarHBondContact O-CG 3.47Å; R148-K151 WeakPolarHBondContact O-CB 3.43Å; R148-K151 PolarHBondContact O-N 3.21Å; L149-K151 PolarHBondContact O-N 3.44Å
152	E	67.8	Low	84.5	Confident	60 Å²	60	36.7 Å²	36.7	28%	0.28	19%	0.185	S	C	.	.	H	α-helix	trans	-100.7	-10.8	-173.4	-71.1	166.9	-137.8	0	0	113.8	R148 L149 M154 F155	R148-E152 WeakPolarHBondContact CG-OE1 3.31Å; R148-E152 IonicContact CZ-OE1 3.83Å; R148-E152 IonicContact CZ-OE2 3.51Å; R148-E152 VanDerWaalsContact CZ-OE2 3.22Å; R148-E152 VanDerWaalsContact NE-CD 3.28Å; R148-E152 IonicContact NE-OE1 2.65Å; R148-E152 PolarHBondContact NE-OE1 3.09Å; R148-E152 IonicContact NE-OE2 3.64Å; R148-E152 PolarHBondContact NE-OE2 3.41Å; R148-E152 IonicContact NH2-OE1 2.63Å; R148-E152 IonicContact NH2-OE2 2.85Å; R148-E152 PolarHBondContact NH2-OE2 2.73Å; R148-E152 PolarHBondContact O-N 3.45Å; L149-E152 PolarHBondContact O-N 3.08Å; E152-M154 PolarHBondContact O-N 3.28Å; E152-F155 HydrophobicContact CB-CD1 4.28Å; E152-F155 HydrophobicContact CB-CE1 4.11Å
153	Y	61.9	Low	84.9	Confident	64 Å²	64	36.3 Å²	36.3	25%	0.251	18%	0.181	S	C	.	.	S	Bend	trans	69.3	-47.7	-178	-167.2	-108	0	0	0	115.5	L149 G256 L775	L149-Y153 WeakPolarHBondContact CD1-O 3.31Å; L149-Y153 VanDerWaalsContact O-CA 3.26Å; L149-Y153 WeakPolarHBondContact O-CA 3.44Å; L149-Y153 PolarHBondContact O-N 3.22Å; Y153-G256 WeakPolarHBondContact O-CA 3.43Å; Y153-L775 HydrophobicContact CD2-CD1 3.67Å; Y153-L775 HydrophobicContact CD2-CD2 4.47Å; Y153-L775 HydrophobicContact CD2-CG 4.27Å; Y153-L775 HydrophobicContact CE2-CD1 3.87Å; Y153-L775 HydrophobicContact CE2-CD2 4.13Å; Y153-L775 HydrophobicContact CE2-CG 3.96Å
154	M	76	Confident	85.3	Confident	57 Å²	57	36.2 Å²	36.2	28%	0.281	18%	0.181	S	C	.	.	S	Bend	trans	-147.6	159.1	171.9	67.5	-176.6	80.7	0	0	109	E152 L253 M646	E152-M154 PolarHBondContact O-N 3.28Å; M154-L253 WeakPolarHBondContact CA-O 3.2Å; M154-M646 HydrophobicContact CE-SD 4.45Å
155	F	84	Confident	85.7	Confident	10 Å²	10	34.5 Å²	34.5	4%	0.044	17%	0.172	C	C	.	.			trans	-104.8	159.3	174.5	-63.3	-16.9	0	0	0	110.9	L145 R148 L149 E152 D159 V160 Y163 L253	L145-F155 HydrophobicContact CD1-CE2 3.67Å; L145-F155 HydrophobicContact CD1-CZ 4Å; L145-F155 HydrophobicContact CD2-CE2 4.27Å; L145-F155 HydrophobicContact CG-CE2 3.87Å; L145-F155 HydrophobicContact CG-CZ 4.28Å; R148-F155 HydrophobicContact CB-CE1 4.41Å; R148-F155 HydrophobicContact CB-CZ 3.96Å; R148-F155 HydrophobicContact CG-CE1 3.8Å; R148-F155 HydrophobicContact CG-CZ 3.72Å; L149-F155 HydrophobicContact CB-CE1 4.45Å; L149-F155 HydrophobicContact CB-CZ 4.17Å; L149-F155 HydrophobicContact CD1-CE1 4.38Å; E152-F155 HydrophobicContact CB-CD1 4.28Å; E152-F155 HydrophobicContact CB-CE1 4.11Å; F155-D159 HydrophobicContact CB-CB 3.95Å; F155-V160 HydrophobicContact CB-CG2 3.68Å; F155-V160 HydrophobicContact CD2-CG2 4.4Å; F155-Y163 HydrophobicContact CD2-CD2 4.43Å; F155-L253 HydrophobicContact CD2-CB 4.14Å; F155-L253 HydrophobicContact CD2-CD1 4.33Å; F155-L253 HydrophobicContact CD2-CD2 3.91Å; F155-L253 HydrophobicContact CD2-CG 4.34Å; F155-L253 HydrophobicContact CE2-CD2 3.67Å; F155-L253 HydrophobicContact CZ-CD2 4.48Å; F155-L253 PolarHBondContact N-O 2.98Å
156	T	88.6	Confident	86.1	Confident	19 Å²	19	34.5 Å²	34.5	12%	0.117	17%	0.172	C	C	.	.			trans	-64.6	160.5	173.3	78.1	0	0	0	0	111.2	D158 D159 V160 E625	T156-D158 PolarHBondContact O-N 3.1Å; T156-D158 PolarHBondContact OG1-N 3.42Å; T156-D159 PolarHBondContact O-N 3.15Å; T156-D159 WeakPolarHBondContact OG1-CB 3.44Å; T156-D159 PolarHBondContact OG1-N 2.69Å; T156-D159 PolarHBondContact OG1-OD1 2.8Å; T156-V160 WeakPolarHBondContact O-CB 3.38Å; T156-V160 VanDerWaalsContact O-CG2 3.32Å; T156-V160 WeakPolarHBondContact O-CG2 3.3Å; T156-V160 PolarHBondContact O-N 3.37Å; T156-E625 HydrophobicContact CG2-CB 3.46Å; T156-E625 VanDerWaalsContact CG2-CB 3.46Å; T156-E625 HydrophobicContact CG2-CG 3.73Å
157	E	92.3	Very high	86.6	Confident	49 Å²	49	31.9 Å²	31.9	23%	0.229	16%	0.16	C	C	.	.	H	α-helix	trans	-62.1	-31.3	172	-71	-162.3	-174.6	0	0	112.7	K161 L254 L283 S284 A287 F318	E157-K161 WeakPolarHBondContact O-CB 3.41Å; E157-K161 PolarHBondContact O-N 2.64Å; E157-L254 HydrophobicContact CB-CD2 4.46Å; E157-L254 HydrophobicContact CG-CD2 3.79Å; E157-L283 WeakPolarHBondContact OE1-CA 3.45Å; E157-S284 PolarHBondContact OE1-N 2.81Å; E157-S284 PolarHBondContact OE1-OG 2.93Å; E157-S284 WeakPolarHBondContact OE2-CB 3.25Å; E157-S284 PolarHBondContact OE2-OG 3.39Å; E157-A287 WeakPolarHBondContact OE1-CB 3.5Å; E157-F318 HydrophobicContact CB-CE2 4.27Å
158	D	92	Very high	87.6	Confident	104 Å²	104	30.5 Å²	30.5	56%	0.556	15%	0.15	S	C	*	.	H	α-helix	trans	-74.9	-39.9	177.9	-78	-37	0	0	0	112.8	T156 K161 F162	T156-D158 PolarHBondContact O-N 3.1Å; T156-D158 PolarHBondContact OG1-N 3.42Å; D158-K161 PolarHBondContact O-N 3.03Å; D158-K161 WeakPolarHBondContact OD1-CE 3.43Å; D158-K161 IonicContact OD1-NZ 2.71Å; D158-K161 PolarHBondContact OD1-NZ 2.92Å; D158-F162 WeakPolarHBondContact O-CB 3.26Å; D158-F162 PolarHBondContact O-N 3.07Å
159	D	93.2	Very high	88.3	Confident	15 Å²	15	30.7 Å²	30.7	8%	0.08	15%	0.152	C	C	.	.	H	α-helix	trans	-59.6	-48.8	171.2	-84.5	65.7	0	0	0	110.2	R148 F155 T156 F162 Y163 P335	R148-D159 IonicContact CZ-OD2 3.76Å; R148-D159 IonicContact NH1-OD2 3.46Å; R148-D159 PolarHBondContact NH1-OD2 2.97Å; R148-D159 IonicContact NH2-OD2 3.99Å; R148-D159 PolarHBondContact NH2-OD2 3.04Å; F155-D159 HydrophobicContact CB-CB 3.95Å; T156-D159 PolarHBondContact O-N 3.15Å; T156-D159 WeakPolarHBondContact OG1-CB 3.44Å; T156-D159 PolarHBondContact OG1-N 2.69Å; T156-D159 PolarHBondContact OG1-OD1 2.8Å; D159-F162 PolarHBondContact O-N 3.12Å; D159-Y163 HydrophobicContact CB-CE2 4.46Å; D159-Y163 WeakPolarHBondContact O-CD2 3.44Å; D159-Y163 PolarHBondContact O-N 2.92Å; D159-P335 HydrophobicContact CB-CG 4.28Å
160	V	96.3	Very high	89.1	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-64	-42.9	178.4	173.2	0	0	0	0	111	F155 T156 F162 Y163 L164 M250 L253 L254 F318	F155-V160 HydrophobicContact CB-CG2 3.68Å; F155-V160 HydrophobicContact CD2-CG2 4.4Å; T156-V160 WeakPolarHBondContact O-CB 3.38Å; T156-V160 VanDerWaalsContact O-CG2 3.32Å; T156-V160 WeakPolarHBondContact O-CG2 3.3Å; T156-V160 PolarHBondContact O-N 3.37Å; V160-F162 VanDerWaalsContact C-N 3.35Å; V160-F162 PolarHBondContact O-N 3.48Å; V160-Y163 PolarHBondContact O-N 2.96Å; V160-L164 HydrophobicContact CG1-CD1 3.4Å; V160-L164 VanDerWaalsContact CG1-CD1 3.4Å; V160-L164 HydrophobicContact CG1-CG 3.86Å; V160-L164 WeakPolarHBondContact O-CB 3.46Å; V160-L164 WeakPolarHBondContact O-CG 3.02Å; V160-L164 PolarHBondContact O-N 3.06Å; V160-M250 HydrophobicContact CG1-CG 4.26Å; V160-L253 HydrophobicContact CG2-CB 3.56Å; V160-L253 HydrophobicContact CG2-CD1 4.39Å; V160-L254 HydrophobicContact CB-CD2 3.86Å; V160-L254 HydrophobicContact CB-CG 4.27Å; V160-L254 HydrophobicContact CG1-CD1 4.43Å; V160-L254 HydrophobicContact CG1-CD2 4.1Å; V160-L254 HydrophobicContact CG1-CG 4Å; V160-L254 HydrophobicContact CG2-CD2 3.69Å; V160-L254 HydrophobicContact CG2-CG 4.01Å; V160-F318 HydrophobicContact CG1-CZ 4.44Å
161	K	97.5	Very high	90.3	Very high	21 Å²	21	27 Å²	27	9%	0.091	13%	0.128	C	C	.	.	H	α-helix	trans	-58.3	-45.3	176.3	-175.5	-162.9	-55.9	168.6	0	111.8	E157 D158 A165 F318 F319 T321 I322	E157-K161 WeakPolarHBondContact O-CB 3.41Å; E157-K161 PolarHBondContact O-N 2.64Å; D158-K161 PolarHBondContact O-N 3.03Å; D158-K161 WeakPolarHBondContact OD1-CE 3.43Å; D158-K161 IonicContact OD1-NZ 2.71Å; D158-K161 PolarHBondContact OD1-NZ 2.92Å; K161-A165 WeakPolarHBondContact O-CB 3.5Å; K161-A165 PolarHBondContact O-N 3.13Å; K161-F318 HydrophobicContact CB-CD1 4.5Å; K161-F318 HydrophobicContact CB-CE1 3.77Å; K161-F318 HydrophobicContact CB-CZ 3.88Å; K161-F318 WeakPolarHBondContact CD-O 3.46Å; K161-F318 WeakPolarHBondContact CE-O 3.36Å; K161-F318 HydrophobicContact CG-CD1 4.36Å; K161-F318 HydrophobicContact CG-CE1 4.1Å; K161-F318 WeakPolarHBondContact CG-O 3.33Å; K161-F319 HydrophobicContact CG-CD1 3.88Å; K161-F319 HydrophobicContact CG-CE1 4.36Å; K161-T321 WeakPolarHBondContact CD-OG1 3.26Å; K161-T321 PolarHBondContact NZ-OG1 3.29Å; K161-I322 HydrophobicContact CD-CD1 4.03Å; K161-I322 HydrophobicContact CD-CG1 4.04Å; K161-I322 HydrophobicContact CG-CD1 4.07Å; K161-I322 HydrophobicContact CG-CG1 3.97Å
162	F	97	Very high	91.6	Very high	12 Å²	12	22.8 Å²	22.8	5%	0.053	11%	0.112	C	C	.	.	H	α-helix	trans	-58.8	-57.2	175.7	179.3	-89.7	0	0	0	111.2	D158 D159 V160 L164 A165 E166 H196 L327 I332 P334 P335	D158-F162 WeakPolarHBondContact O-CB 3.26Å; D158-F162 PolarHBondContact O-N 3.07Å; D159-F162 PolarHBondContact O-N 3.12Å; V160-F162 VanDerWaalsContact C-N 3.35Å; V160-F162 PolarHBondContact O-N 3.48Å; F162-L164 PolarHBondContact O-N 2.85Å; F162-A165 PolarHBondContact O-N 3.25Å; F162-A165 VanDerWaalsContact O-N 3.14Å; F162-E166 VanDerWaalsContact CE1-CD 3.46Å; F162-E166 HydrophobicContact CE1-CG 4.15Å; F162-E166 HydrophobicContact CZ-CG 4.3Å; F162-E166 VanDerWaalsContact CZ-OE1 3.24Å; F162-E166 WeakPolarHBondContact CZ-OE1 3.38Å; F162-E166 PolarHBondContact O-N 3.25Å; F162-H196 AromaticContact CZ-ND1 3.83Å; F162-L327 HydrophobicContact CD2-CD1 4.15Å; F162-L327 HydrophobicContact CE2-CD1 3.64Å; F162-L327 HydrophobicContact CZ-CD1 4.15Å; F162-I332 HydrophobicContact CD2-CG2 4.09Å; F162-I332 HydrophobicContact CE2-CB 4.23Å; F162-I332 HydrophobicContact CE2-CG2 3.78Å; F162-P334 HydrophobicContact CE1-CB 3.95Å; F162-P334 HydrophobicContact CE1-CG 4.23Å; F162-P334 HydrophobicContact CZ-CB 4Å; F162-P334 HydrophobicContact CZ-CG 3.92Å; F162-P335 HydrophobicContact CB-CG 4.41Å; F162-P335 VanDerWaalsContact CD1-CD 3.4Å; F162-P335 HydrophobicContact CD1-CG 4.16Å; F162-P335 HydrophobicContact CG-CG 4.36Å
163	Y	97.6	Very high	92.9	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-64.7	-38.4	-176.4	-67.4	-51	0	0	0	113.6	L145 R148 F155 D159 V160 A165 E166 I167 L191 G195 V197 P335	L145-Y163 HydrophobicContact CD1-CD2 4.47Å; L145-Y163 HydrophobicContact CD1-CE2 4.41Å; R148-Y163 PolarHBondContact NH1-OH 2.63Å; F155-Y163 HydrophobicContact CD2-CD2 4.43Å; D159-Y163 HydrophobicContact CB-CE2 4.46Å; D159-Y163 WeakPolarHBondContact O-CD2 3.44Å; D159-Y163 PolarHBondContact O-N 2.92Å; V160-Y163 PolarHBondContact O-N 2.96Å; Y163-A165 VanDerWaalsContact C-N 3.32Å; Y163-A165 PolarHBondContact O-N 3.1Å; Y163-E166 PolarHBondContact O-N 2.81Å; Y163-I167 WeakPolarHBondContact O-CB 3.5Å; Y163-I167 WeakPolarHBondContact O-CD1 3.38Å; Y163-I167 WeakPolarHBondContact O-CG1 3.33Å; Y163-I167 PolarHBondContact O-N 2.9Å; Y163-L191 HydrophobicContact CE1-CD2 3.96Å; Y163-G195 WeakPolarHBondContact CE1-O 3.45Å; Y163-V197 HydrophobicContact CD1-CG1 3.48Å; Y163-V197 VanDerWaalsContact CD1-CG1 3.48Å; Y163-V197 HydrophobicContact CE1-CG1 4.16Å; Y163-V197 HydrophobicContact CG-CG1 4.32Å; Y163-P335 HydrophobicContact CE2-CG 3.99Å
164	L	98.3	Very high	94.4	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-67	-33.1	175.9	-71.9	-178.2	0	0	0	112.1	V160 F162 A168 F246 L249 M250 F318 F319	V160-L164 HydrophobicContact CG1-CD1 3.4Å; V160-L164 VanDerWaalsContact CG1-CD1 3.4Å; V160-L164 HydrophobicContact CG1-CG 3.86Å; V160-L164 WeakPolarHBondContact O-CB 3.46Å; V160-L164 WeakPolarHBondContact O-CG 3.02Å; V160-L164 PolarHBondContact O-N 3.06Å; F162-L164 PolarHBondContact O-N 2.85Å; L164-A168 WeakPolarHBondContact O-CB 3.49Å; L164-A168 PolarHBondContact O-N 3.09Å; L164-F246 HydrophobicContact CB-CE1 4.33Å; L164-F246 HydrophobicContact CB-CE2 4.07Å; L164-F246 HydrophobicContact CB-CZ 3.62Å; L164-F246 HydrophobicContact CD1-CE1 4.32Å; L164-F246 HydrophobicContact CD1-CZ 4.4Å; L164-F246 HydrophobicContact CD2-CD1 4.46Å; L164-F246 HydrophobicContact CD2-CD2 4.09Å; L164-F246 HydrophobicContact CD2-CE1 4.18Å; L164-F246 HydrophobicContact CD2-CE2 3.79Å; L164-F246 HydrophobicContact CD2-CG 4.43Å; L164-F246 HydrophobicContact CD2-CZ 3.86Å; L164-F246 HydrophobicContact CG-CE2 4.48Å; L164-F246 HydrophobicContact CG-CZ 4.16Å; L164-F246 VanDerWaalsContact O-CE2 3.24Å; L164-F246 WeakPolarHBondContact O-CE2 3.21Å; L164-F246 WeakPolarHBondContact O-CZ 3.46Å; L164-L249 HydrophobicContact CD2-CD2 4.25Å; L164-L249 HydrophobicContact CD2-CG 4.41Å; L164-M250 HydrophobicContact CD1-CB 3.54Å; L164-M250 HydrophobicContact CD1-CG 3.53Å; L164-M250 HydrophobicContact CD1-SD 4.04Å; L164-M250 HydrophobicContact CD2-CB 4.4Å; L164-F318 HydrophobicContact CD1-CE1 4.4Å; L164-F319 HydrophobicContact CB-CE1 3.98Å; L164-F319 HydrophobicContact CB-CZ 4.03Å
165	A	98.3	Very high	95.3	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-66.7	-43.4	175.3	0	0	0	0	0	111.8	K161 F162 Y163 A168 L169 F319 I322 W324 L327	K161-A165 WeakPolarHBondContact O-CB 3.5Å; K161-A165 PolarHBondContact O-N 3.13Å; F162-A165 PolarHBondContact O-N 3.25Å; F162-A165 VanDerWaalsContact O-N 3.14Å; Y163-A165 VanDerWaalsContact C-N 3.32Å; Y163-A165 PolarHBondContact O-N 3.1Å; A165-A168 PolarHBondContact O-N 3.49Å; A165-L169 PolarHBondContact O-N 3.31Å; A165-L169 VanDerWaalsContact O-N 3.07Å; A165-F319 HydrophobicContact CB-CD1 4.22Å; A165-F319 HydrophobicContact CB-CE1 4.23Å; A165-I322 HydrophobicContact CB-CG1 4.25Å; A165-I322 HydrophobicContact CB-CG2 4.07Å; A165-W324 HydrophobicContact CB-CE3 4.5Å; A165-W324 HydrophobicContact CB-CH2 3.82Å; A165-W324 HydrophobicContact CB-CZ3 3.79Å; A165-L327 HydrophobicContact CB-CD2 3.38Å
166	E	98.2	Very high	95.7	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-63.2	-43.6	175.2	-58.1	-162	136.2	0	0	112.1	Y119 F162 Y163 A168 L169 A170 H196 V197 L327	Y119-E166 HydrophobicContact CD1-CB 3.98Å; Y119-E166 HydrophobicContact CD1-CG 4.33Å; Y119-E166 HydrophobicContact CD2-CB 3.94Å; Y119-E166 WeakPolarHBondContact CD2-O 3.43Å; Y119-E166 HydrophobicContact CE1-CB 3.91Å; Y119-E166 HydrophobicContact CE1-CG 3.75Å; Y119-E166 WeakPolarHBondContact CE1-OE1 3.02Å; Y119-E166 HydrophobicContact CE2-CB 3.88Å; Y119-E166 HydrophobicContact CE2-CG 4.01Å; Y119-E166 HydrophobicContact CG-CB 3.98Å; Y119-E166 PolarHBondContact OH-OE1 3Å; F162-E166 VanDerWaalsContact CE1-CD 3.46Å; F162-E166 HydrophobicContact CE1-CG 4.15Å; F162-E166 HydrophobicContact CZ-CG 4.3Å; F162-E166 VanDerWaalsContact CZ-OE1 3.24Å; F162-E166 WeakPolarHBondContact CZ-OE1 3.38Å; F162-E166 PolarHBondContact O-N 3.25Å; Y163-E166 PolarHBondContact O-N 2.81Å; E166-A168 VanDerWaalsContact C-N 3.35Å; E166-A168 PolarHBondContact O-N 2.87Å; E166-L169 PolarHBondContact O-N 3.24Å; E166-A170 PolarHBondContact O-N 3.25Å; E166-A170 VanDerWaalsContact O-N 3.1Å; E166-H196 IonicContact OE1-CE1 2.65Å; E166-H196 IonicContact OE1-CG 2.84Å; E166-H196 IonicContact OE1-ND1 2.76Å; E166-H196 PolarHBondContact OE1-ND1 3.48Å; E166-H196 WeakPolarHBondContact OE2-CA 3.43Å; E166-V197 HydrophobicContact CB-CG2 3.5Å; E166-V197 PolarHBondContact OE2-N 2.68Å; E166-L327 HydrophobicContact CG-CD1 3.84Å; E166-L327 HydrophobicContact CG-CD2 4.17Å; E166-L327 HydrophobicContact CG-CG 4.17Å
167	I	98.3	Very high	95.7	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-64.8	-38.7	176.4	-67.1	168.3	0	0	0	111	Y163 A170 L171 L184 V189 V197 L199 F246 L249	Y163-I167 WeakPolarHBondContact O-CB 3.5Å; Y163-I167 WeakPolarHBondContact O-CD1 3.38Å; Y163-I167 WeakPolarHBondContact O-CG1 3.33Å; Y163-I167 PolarHBondContact O-N 2.9Å; I167-A170 WeakPolarHBondContact O-CB 3.47Å; I167-A170 PolarHBondContact O-N 3.25Å; I167-L171 HydrophobicContact CG2-CD1 4.2Å; I167-L171 HydrophobicContact CG2-CG 4.3Å; I167-L171 WeakPolarHBondContact O-CG 3.27Å; I167-L171 PolarHBondContact O-N 2.88Å; I167-L184 HydrophobicContact CG2-CD1 3.99Å; I167-L184 HydrophobicContact CG2-CD2 3.98Å; I167-V189 HydrophobicContact CD1-CG1 4.03Å; I167-V189 HydrophobicContact CD1-CG2 3.92Å; I167-V189 HydrophobicContact CG1-CG1 4.49Å; I167-V197 HydrophobicContact CG1-CG2 4.14Å; I167-L199 HydrophobicContact CG1-CD2 4.32Å; I167-L199 HydrophobicContact CG2-CD2 4.43Å; I167-F246 HydrophobicContact CB-CE2 4.29Å; I167-F246 HydrophobicContact CG2-CD2 3.91Å; I167-F246 HydrophobicContact CG2-CE2 4.04Å; I167-L249 HydrophobicContact CD1-CD2 3.62Å
168	A	98.1	Very high	95.5	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-66.3	-38.6	179	0	0	0	0	0	111.8	L164 A165 E166 L171 N172 W243 F246 F310 L313 W324	L164-A168 WeakPolarHBondContact O-CB 3.49Å; L164-A168 PolarHBondContact O-N 3.09Å; A165-A168 PolarHBondContact O-N 3.49Å; E166-A168 VanDerWaalsContact C-N 3.35Å; E166-A168 PolarHBondContact O-N 2.87Å; A168-L171 PolarHBondContact O-N 3.09Å; A168-N172 WeakPolarHBondContact O-CB 3.32Å; A168-N172 PolarHBondContact O-N 3.4Å; A168-W243 HydrophobicContact CB-CH2 4.17Å; A168-W243 HydrophobicContact CB-CZ3 4.03Å; A168-F246 HydrophobicContact CB-CE2 3.83Å; A168-F246 HydrophobicContact CB-CZ 3.94Å; A168-F310 HydrophobicContact CB-CE2 3.9Å; A168-F310 WeakPolarHBondContact O-CE2 3.47Å; A168-L313 HydrophobicContact CB-CD2 3.89Å; A168-W324 HydrophobicContact CB-CH2 4.5Å; A168-W324 HydrophobicContact CB-CZ3 4.38Å
169	L	97.8	Very high	95.4	Very high	16 Å²	16	17.6 Å²	17.6	8%	0.084	9%	0.092	C	C	.	.	H	α-helix	trans	-60.2	-45.8	170.6	-75.3	164.7	0	0	0	111.3	Y119 A165 E166 N172 Y173 F310 W324 L327 L328	Y119-L169 HydrophobicContact CD2-CB 4.09Å; Y119-L169 HydrophobicContact CD2-CD1 4.38Å; Y119-L169 HydrophobicContact CE2-CB 4.38Å; Y119-L169 HydrophobicContact CE2-CD1 3.83Å; A165-L169 PolarHBondContact O-N 3.31Å; A165-L169 VanDerWaalsContact O-N 3.07Å; E166-L169 PolarHBondContact O-N 3.24Å; L169-N172 PolarHBondContact O-N 3.08Å; L169-Y173 WeakPolarHBondContact O-CB 3.22Å; L169-Y173 PolarHBondContact O-N 2.8Å; L169-F310 HydrophobicContact CD2-CE1 4.44Å; L169-F310 HydrophobicContact CD2-CZ 3.92Å; L169-F310 HydrophobicContact CG-CZ 4.39Å; L169-W324 HydrophobicContact CD1-CE3 4.14Å; L169-W324 HydrophobicContact CD2-CE3 4.15Å; L169-W324 HydrophobicContact CG-CE3 3.94Å; L169-W324 HydrophobicContact CG-CZ3 4.16Å; L169-L327 HydrophobicContact CD1-CB 4.5Å; L169-L327 HydrophobicContact CD1-CD2 3.94Å; L169-L327 HydrophobicContact CD1-CG 4.19Å; L169-L328 HydrophobicContact CD1-CB 4.21Å; L169-L328 HydrophobicContact CD1-CD1 4.38Å
170	A	97.3	Very high	95.3	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-61.7	-44.5	177.1	0	0	0	0	0	113	I120 E166 I167 Y173 L174 L199	I120-A170 HydrophobicContact CD1-CB 4.4Å; I120-A170 HydrophobicContact CG1-CB 3.99Å; E166-A170 PolarHBondContact O-N 3.25Å; E166-A170 VanDerWaalsContact O-N 3.1Å; I167-A170 WeakPolarHBondContact O-CB 3.47Å; I167-A170 PolarHBondContact O-N 3.25Å; A170-Y173 PolarHBondContact O-N 3.22Å; A170-L174 WeakPolarHBondContact O-CG 3.21Å; A170-L174 PolarHBondContact O-N 3.47Å; A170-L174 VanDerWaalsContact O-N 3.09Å; A170-L199 HydrophobicContact CB-CD1 3.67Å; A170-L199 HydrophobicContact CB-CG 4.11Å
171	L	96.7	Very high	95.1	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-64.1	-46.7	176.8	-71.7	178.5	0	0	0	111.6	I167 A168 Y173 L174 H175 Y181 L184 L199 D242 W243 F246	I167-L171 HydrophobicContact CG2-CD1 4.2Å; I167-L171 HydrophobicContact CG2-CG 4.3Å; I167-L171 WeakPolarHBondContact O-CG 3.27Å; I167-L171 PolarHBondContact O-N 2.88Å; A168-L171 PolarHBondContact O-N 3.09Å; L171-Y173 VanDerWaalsContact C-N 3.31Å; L171-Y173 PolarHBondContact O-N 3.28Å; L171-L174 WeakPolarHBondContact O-CB 3.48Å; L171-L174 PolarHBondContact O-N 2.83Å; L171-L174 VanDerWaalsContact O-N 3.11Å; L171-H175 WeakPolarHBondContact O-CB 3.45Å; L171-H175 PolarHBondContact O-CD2 2.7Å; L171-H175 VanDerWaalsContact O-CD2 3.29Å; L171-H175 PolarHBondContact O-N 3.13Å; L171-Y181 HydrophobicContact CD2-CD1 4.45Å; L171-Y181 HydrophobicContact CD2-CG 4.46Å; L171-L184 HydrophobicContact CD1-CD2 4.12Å; L171-L199 HydrophobicContact CD2-CD1 4.34Å; L171-D242 HydrophobicContact CD1-CB 4.31Å; L171-D242 HydrophobicContact CD2-CB 4.07Å; L171-W243 HydrophobicContact CB-CH2 4.01Å; L171-W243 HydrophobicContact CB-CZ2 4.37Å; L171-W243 HydrophobicContact CB-CZ3 4.41Å; L171-W243 HydrophobicContact CD1-CE3 4.13Å; L171-W243 HydrophobicContact CD1-CH2 4.31Å; L171-W243 HydrophobicContact CD1-CZ3 3.89Å; L171-F246 HydrophobicContact CD1-CB 4.45Å; L171-F246 HydrophobicContact CD1-CD2 3.92Å
172	N	95.8	Very high	94.7	Very high	52 Å²	52	17 Å²	17	28%	0.278	9%	0.088	S	C	.	.	H	α-helix	trans	-60.5	-41	178.2	179.5	66.5	0	0	0	112.2	A168 L169 L174 H175 S176 F310	A168-N172 WeakPolarHBondContact O-CB 3.32Å; A168-N172 PolarHBondContact O-N 3.4Å; L169-N172 PolarHBondContact O-N 3.08Å; N172-L174 VanDerWaalsContact C-N 3.34Å; N172-L174 PolarHBondContact O-N 3.06Å; N172-H175 PolarHBondContact O-N 3.48Å; N172-S176 PolarHBondContact O-N 2.98Å; N172-S176 PolarHBondContact O-OG 3.46Å; N172-F310 HydrophobicContact CB-CB 4.28Å; N172-F310 HydrophobicContact CB-CD1 3.67Å; N172-F310 HydrophobicContact CB-CD2 3.73Å; N172-F310 HydrophobicContact CB-CE1 3.77Å; N172-F310 HydrophobicContact CB-CE2 3.88Å; N172-F310 HydrophobicContact CB-CG 3.62Å; N172-F310 HydrophobicContact CB-CZ 3.89Å; N172-F310 VanDerWaalsContact CG-CG 3.41Å; N172-F310 VanDerWaalsContact ND2-CD1 3.31Å; N172-F310 WeakPolarHBondContact ND2-CD1 3.17Å; N172-F310 WeakPolarHBondContact ND2-CE1 3.46Å; N172-F310 VanDerWaalsContact OD1-CB 3.28Å; N172-F310 WeakPolarHBondContact OD1-CB 3.41Å; N172-F310 VanDerWaalsContact OD1-CD1 3.29Å; N172-F310 WeakPolarHBondContact OD1-CD1 3.3Å; N172-F310 WeakPolarHBondContact OD1-CG 3.4Å
173	Y	95.4	Very high	94.3	Very high	48 Å²	48	16.9 Å²	16.9	19%	0.188	9%	0.088	C	C	.	.	H	α-helix	trans	-61.8	-40.7	174.3	178.8	-85.5	0	0	0	112	I115 K116 H117 I120 L169 A170 L171 S176 H177	I115-Y173 HydrophobicContact CB-CE1 3.87Å; I115-Y173 HydrophobicContact CG2-CE1 4.01Å; K116-Y173 PolarHBondContact N-OH 3.06Å; K116-Y173 VanDerWaalsContact N-OH 3.1Å; K116-Y173 PolarHBondContact O-OH 3.05Å; H117-Y173 HydrophobicContact CB-CD1 3.88Å; H117-Y173 HydrophobicContact CB-CD2 4.39Å; H117-Y173 HydrophobicContact CB-CE1 4.04Å; H117-Y173 HydrophobicContact CB-CG 4.07Å; H117-Y173 AromaticContact CD2-CD2 3.53Å; H117-Y173 AromaticContact CD2-CG 3.49Å; H117-Y173 VanDerWaalsContact CD2-CG 3.49Å; H117-Y173 AromaticContact CG-CG 3.87Å; I120-Y173 HydrophobicContact CD1-CD1 4.01Å; L169-Y173 WeakPolarHBondContact O-CB 3.22Å; L169-Y173 PolarHBondContact O-N 2.8Å; A170-Y173 PolarHBondContact O-N 3.22Å; L171-Y173 VanDerWaalsContact C-N 3.31Å; L171-Y173 PolarHBondContact O-N 3.28Å; Y173-S176 PolarHBondContact O-OG 3.36Å; Y173-H177 AromaticContact CD2-CE1 3.97Å; Y173-H177 AromaticContact CE1-CE1 3.82Å; Y173-H177 AromaticContact CE1-ND1 3.9Å; Y173-H177 AromaticContact CE2-CE1 3.47Å; Y173-H177 VanDerWaalsContact CE2-CE1 3.47Å; Y173-H177 WeakPolarHBondContact CE2-CE1 3.36Å; Y173-H177 AromaticContact CZ-CE1 3.39Å; Y173-H177 AromaticContact CZ-ND1 3.95Å; Y173-H177 AromaticContact CZ-NE2 3.94Å; Y173-H177 PolarHBondContact O-N 3.28Å; Y173-H177 PolarHBondContact O-ND1 2.93Å
174	L	94	Very high	94.2	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-66.2	-44	174.3	-70	167.3	0	0	0	111.7	I115 I120 A170 L171 N172 S176 H177 G178 I179 Y181 F202	I115-L174 HydrophobicContact CD1-CD2 3.86Å; I115-L174 HydrophobicContact CG2-CD2 4.34Å; I120-L174 HydrophobicContact CD1-CD1 4.08Å; I120-L174 HydrophobicContact CD1-CD2 3.91Å; I120-L174 HydrophobicContact CD1-CG 3.77Å; A170-L174 WeakPolarHBondContact O-CG 3.21Å; A170-L174 PolarHBondContact O-N 3.47Å; A170-L174 VanDerWaalsContact O-N 3.09Å; L171-L174 WeakPolarHBondContact O-CB 3.48Å; L171-L174 PolarHBondContact O-N 2.83Å; L171-L174 VanDerWaalsContact O-N 3.11Å; N172-L174 VanDerWaalsContact C-N 3.34Å; N172-L174 PolarHBondContact O-N 3.06Å; L174-S176 VanDerWaalsContact C-N 3.35Å; L174-S176 PolarHBondContact O-N 3.37Å; L174-H177 CarbonylContact O-C 3.54Å; L174-H177 PolarHBondContact O-N 3.33Å; L174-H177 VanDerWaalsContact O-N 3.14Å; L174-G178 PolarHBondContact O-N 2.98Å; L174-I179 CarbonylContact C-O 3.57Å; L174-I179 HydrophobicContact CB-CB 4.23Å; L174-I179 HydrophobicContact CD2-CB 4.24Å; L174-I179 HydrophobicContact CD2-CD1 4.19Å; L174-I179 HydrophobicContact CD2-CG2 4.11Å; L174-I179 WeakPolarHBondContact O-CB 3.09Å; L174-I179 PolarHBondContact O-N 3.4Å; L174-Y181 HydrophobicContact CD1-CD2 4.23Å; L174-F202 HydrophobicContact CD1-CE1 3.73Å; L174-F202 HydrophobicContact CD1-CZ 4.24Å; L174-F202 HydrophobicContact CD2-CE1 3.76Å; L174-F202 HydrophobicContact CG-CE1 4.4Å
175	H	93.5	Very high	93.9	Very high	24 Å²	24	17.7 Å²	17.7	11%	0.111	9%	0.091	C	C	.	.	H	α-helix	trans	-62.9	-38.6	-179.8	-65.6	174.2	0	0	0	112.1	L171 N172 H177 G178 I179 T239 D242 W243	L171-H175 WeakPolarHBondContact O-CB 3.45Å; L171-H175 PolarHBondContact O-CD2 2.7Å; L171-H175 VanDerWaalsContact O-CD2 3.29Å; L171-H175 PolarHBondContact O-N 3.13Å; N172-H175 PolarHBondContact O-N 3.48Å; H175-H177 VanDerWaalsContact C-N 3.27Å; H175-H177 PolarHBondContact O-N 2.96Å; H175-G178 PolarHBondContact O-N 3.19Å; H175-I179 PolarHBondContact CD2-O 2.59Å; H175-T239 HydrophobicContact CB-CG2 3.84Å; H175-D242 IonicContact CD2-OD2 2.84Å; H175-D242 IonicContact CE1-OD2 2.7Å; H175-D242 IonicContact NE2-OD2 3.03Å; H175-D242 PolarHBondContact NE2-OD2 2.96Å; H175-W243 AromaticContact CE1-CE2 3.79Å; H175-W243 AromaticContact CE1-NE1 3.58Å; H175-W243 AromaticContact ND1-CE2 3.88Å; H175-W243 AromaticContact ND1-CZ2 3.84Å; H175-W243 AromaticContact ND1-NE1 3.6Å
176	S	92.3	Very high	93.5	Very high	71 Å²	71	17.7 Å²	17.7	50%	0.497	9%	0.091	S	C	.	.	H	α-helix	trans	-68.2	-25	175.9	69.5	0	0	0	0	113.5	N172 Y173 L174 G178	N172-S176 PolarHBondContact O-N 2.98Å; N172-S176 PolarHBondContact O-OG 3.46Å; Y173-S176 PolarHBondContact O-OG 3.36Å; L174-S176 VanDerWaalsContact C-N 3.35Å; L174-S176 PolarHBondContact O-N 3.37Å; S176-G178 VanDerWaalsContact C-N 3.29Å
177	H	90.6	Very high	93	Very high	96 Å²	96	20.1 Å²	20.1	44%	0.444	10%	0.103	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88	8.5	169.9	-67.1	75.6	0	0	0	113	Y173 L174 H175 I179	Y173-H177 AromaticContact CD2-CE1 3.97Å; Y173-H177 AromaticContact CE1-CE1 3.82Å; Y173-H177 AromaticContact CE1-ND1 3.9Å; Y173-H177 AromaticContact CE2-CE1 3.47Å; Y173-H177 VanDerWaalsContact CE2-CE1 3.47Å; Y173-H177 WeakPolarHBondContact CE2-CE1 3.36Å; Y173-H177 AromaticContact CZ-CE1 3.39Å; Y173-H177 AromaticContact CZ-ND1 3.95Å; Y173-H177 AromaticContact CZ-NE2 3.94Å; Y173-H177 PolarHBondContact O-N 3.28Å; Y173-H177 PolarHBondContact O-ND1 2.93Å; L174-H177 CarbonylContact O-C 3.54Å; L174-H177 PolarHBondContact O-N 3.33Å; L174-H177 VanDerWaalsContact O-N 3.14Å; H175-H177 VanDerWaalsContact C-N 3.27Å; H175-H177 PolarHBondContact O-N 2.96Å; H177-I179 HydrophobicContact CB-CD1 4.14Å; H177-I179 HydrophobicContact CB-CG1 4.46Å
178	G	88.2	Confident	92.7	Very high	6 Å²	6	20.6 Å²	20.6	6%	0.062	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.2	25.3	-179.5	0	0	0	0	0	114.1	L174 H175 S176 E207 S208	L174-G178 PolarHBondContact O-N 2.98Å; H175-G178 PolarHBondContact O-N 3.19Å; S176-G178 VanDerWaalsContact C-N 3.29Å; G178-E207 CarbonylContact O-C 3.35Å; G178-E207 VanDerWaalsContact O-CA 3.32Å; G178-E207 WeakPolarHBondContact O-CA 3.46Å; G178-S208 CarbonylContact O-C 3.49Å; G178-S208 PolarHBondContact O-N 2.96Å; G178-S208 PolarHBondContact O-OG 3.46Å
179	I	89.9	Confident	92.6	Very high	9 Å²	9	20.6 Å²	20.6	5%	0.046	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	119	-177.6	-59.4	164.7	0	0	0	110	I111 I115 L174 H175 H177 E207	I111-I179 HydrophobicContact CD1-CG2 4.01Å; I111-I179 HydrophobicContact CG1-CD1 4.19Å; I111-I179 HydrophobicContact CG2-CD1 3.99Å; I115-I179 HydrophobicContact CG2-CD1 3.96Å; L174-I179 CarbonylContact C-O 3.57Å; L174-I179 HydrophobicContact CB-CB 4.23Å; L174-I179 HydrophobicContact CD2-CB 4.24Å; L174-I179 HydrophobicContact CD2-CD1 4.19Å; L174-I179 HydrophobicContact CD2-CG2 4.11Å; L174-I179 WeakPolarHBondContact O-CB 3.09Å; L174-I179 PolarHBondContact O-N 3.4Å; H175-I179 PolarHBondContact CD2-O 2.59Å; H177-I179 HydrophobicContact CB-CD1 4.14Å; H177-I179 HydrophobicContact CB-CG1 4.46Å; I179-E207 HydrophobicContact CG1-CG 4.44Å
180	V	90.6	Very high	92.5	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	130.3	169	-164.6	0	0	0	0	109.2	R182 S205 K206 S208 G238 T239 D242	V180-R182 HydrophobicContact CB-CG 3.97Å; V180-R182 HydrophobicContact CG1-CG 3.47Å; V180-R182 VanDerWaalsContact CG1-CG 3.47Å; V180-S205 CarbonylContact O-C 3.49Å; V180-S205 WeakPolarHBondContact O-CA 3.27Å; V180-S205 WeakPolarHBondContact O-CB 3.28Å; V180-K206 PolarHBondContact N-O 3.3Å; V180-K206 PolarHBondContact O-N 3.4Å; V180-S208 WeakPolarHBondContact CG2-OG 3.19Å; V180-G238 WeakPolarHBondContact CG1-O 3.37Å; V180-T239 HydrophobicContact CG2-CG2 4.24Å; V180-D242 WeakPolarHBondContact CG1-OD2 3.4Å
181	Y	92	Very high	92.4	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.11	C	C	.	.			trans	-82.3	-47.5	-170.4	179.1	-108.4	0	0	0	113.6	L171 L174 D183 L184 N188 T200 F202 S205 D242	L171-Y181 HydrophobicContact CD2-CD1 4.45Å; L171-Y181 HydrophobicContact CD2-CG 4.46Å; L174-Y181 HydrophobicContact CD1-CD2 4.23Å; Y181-D183 VanDerWaalsContact C-N 3.34Å; Y181-D183 PolarHBondContact O-N 3.07Å; Y181-L184 HydrophobicContact CD1-CB 4Å; Y181-L184 HydrophobicContact CE1-CB 4Å; Y181-L184 HydrophobicContact CE1-CD1 4.33Å; Y181-N188 WeakPolarHBondContact OH-CB 3.31Å; Y181-T200 PolarHBondContact OH-O 3.31Å; Y181-F202 AromaticContact CD2-CD1 3.98Å; Y181-F202 HydrophobicContact CD2-CD1 3.98Å; Y181-F202 AromaticContact CD2-CE1 3.73Å; Y181-F202 HydrophobicContact CD2-CE1 3.73Å; Y181-F202 HydrophobicContact CD2-CZ 4.2Å; Y181-F202 HydrophobicContact CE2-CD1 4.12Å; Y181-F202 HydrophobicContact CE2-CD2 4.46Å; Y181-F202 AromaticContact CE2-CE1 3.93Å; Y181-F202 HydrophobicContact CE2-CE1 3.93Å; Y181-F202 HydrophobicContact CE2-CE2 4.28Å; Y181-F202 HydrophobicContact CE2-CG 4.37Å; Y181-F202 HydrophobicContact CE2-CZ 4Å; Y181-S205 WeakPolarHBondContact O-CA 3.19Å; Y181-S205 PolarHBondContact O-N 2.99Å; Y181-S205 PolarHBondContact O-OG 2.96Å; Y181-D242 PolarHBondContact N-OD1 3.14Å; Y181-D242 PolarHBondContact N-OD2 3.37Å
182	R	89.2	Confident	92.2	Very high	22 Å²	22	22.5 Å²	22.5	8%	0.083	12%	0.115	C	C	.	.			trans	67.5	2	167	-49.4	-170.7	-60.7	-177.4	3.1	119.7	V180 L204 T217 H237 D242	V180-R182 HydrophobicContact CB-CG 3.97Å; V180-R182 HydrophobicContact CG1-CG 3.47Å; V180-R182 VanDerWaalsContact CG1-CG 3.47Å; R182-L204 PolarHBondContact NE-O 2.93Å; R182-L204 PolarHBondContact NH2-O 2.9Å; R182-T217 PolarHBondContact NH1-OG1 2.91Å; R182-H237 WeakPolarHBondContact CD-NE2 3.46Å; R182-H237 PolarHBondContact NE-NE2 3.08Å; R182-H237 PolarHBondContact NH1-NE2 2.8Å; R182-D242 WeakPolarHBondContact CA-OD1 3.37Å; R182-D242 PolarHBondContact N-OD1 3.49Å
183	D	88.5	Confident	91.9	Very high	10 Å²	10	24 Å²	24	5%	0.053	12%	0.121	C	C	.	.			trans	-139.3	42.4	176.3	-159.3	35.7	0	0	0	112.1	Y181 K185 N188 L204 T223	Y181-D183 VanDerWaalsContact C-N 3.34Å; Y181-D183 PolarHBondContact O-N 3.07Å; D183-K185 VanDerWaalsContact CG-NZ 3.28Å; D183-K185 PolarHBondContact O-N 3.49Å; D183-K185 IonicContact OD1-NZ 3.83Å; D183-K185 IonicContact OD2-NZ 2.64Å; D183-K185 PolarHBondContact OD2-NZ 3.47Å; D183-N188 PolarHBondContact O-ND2 3.2Å; D183-N188 PolarHBondContact OD2-ND2 2.98Å; D183-N188 VanDerWaalsContact OD2-ND2 3.16Å; D183-L204 HydrophobicContact CB-CB 4.11Å; D183-L204 HydrophobicContact CB-CD1 3.95Å; D183-T223 PolarHBondContact OD1-N 3.43Å; D183-T223 PolarHBondContact OD1-OG1 2.91Å
184	L	94.7	Very high	91.7	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.129	C	C	.	.			trans	-72.6	119.1	175.1	-175.1	66.1	0	0	0	110.7	I167 L171 Y181 V189 L199 Y226 F246 L249	I167-L184 HydrophobicContact CG2-CD1 3.99Å; I167-L184 HydrophobicContact CG2-CD2 3.98Å; L171-L184 HydrophobicContact CD1-CD2 4.12Å; Y181-L184 HydrophobicContact CD1-CB 4Å; Y181-L184 HydrophobicContact CE1-CB 4Å; Y181-L184 HydrophobicContact CE1-CD1 4.33Å; L184-V189 HydrophobicContact CD1-CG2 4.02Å; L184-L199 HydrophobicContact CD1-CD2 3.87Å; L184-Y226 VanDerWaalsContact O-CD1 3.23Å; L184-Y226 WeakPolarHBondContact O-CD1 3.37Å; L184-F246 HydrophobicContact CD2-CB 3.97Å; L184-F246 HydrophobicContact CD2-CD2 4.25Å; L184-L249 HydrophobicContact CD1-CD2 4.05Å; L184-L249 HydrophobicContact CD2-CD2 4.16Å; L184-L249 HydrophobicContact CG-CD2 4.02Å
185	K	91.7	Very high	91.7	Very high	17 Å²	17	25 Å²	25	7%	0.074	13%	0.129	C	C	.	.	S	Bend	trans	-164	159.6	-178.2	63.4	-175.9	-166.1	-98	0	109	D183 E187 N188 Y226	D183-K185 VanDerWaalsContact CG-NZ 3.28Å; D183-K185 PolarHBondContact O-N 3.49Å; D183-K185 IonicContact OD1-NZ 3.83Å; D183-K185 IonicContact OD2-NZ 2.64Å; D183-K185 PolarHBondContact OD2-NZ 3.47Å; K185-E187 VanDerWaalsContact CD-OE2 3.22Å; K185-E187 WeakPolarHBondContact CD-OE2 3.42Å; K185-E187 VanDerWaalsContact CG-OE2 3.24Å; K185-E187 WeakPolarHBondContact CG-OE2 3.5Å; K185-E187 PolarHBondContact O-N 2.75Å; K185-E187 VanDerWaalsContact O-N 3.15Å; K185-N188 VanDerWaalsContact CE-OD1 3.26Å; K185-N188 WeakPolarHBondContact CE-OD1 3.45Å; K185-N188 HydrophobicContact CG-CB 4.15Å; K185-N188 PolarHBondContact NZ-ND2 3.16Å; K185-N188 PolarHBondContact NZ-OD1 3.21Å; K185-N188 PolarHBondContact O-N 3.5Å; K185-Y226 HydrophobicContact CB-CD1 4.13Å; K185-Y226 HydrophobicContact CB-CD2 4.13Å; K185-Y226 HydrophobicContact CB-CE1 3.84Å; K185-Y226 HydrophobicContact CB-CE2 3.81Å; K185-Y226 HydrophobicContact CB-CG 4.29Å
186	P	90.6	Very high	91.8	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.129	C	C	.	.	G	3₁₀ helix	trans	-60	-26.8	-175.5	-20.7	30.5	0	0	0	114.8	L145 F146 N188 V189 Y226 L249 E252	L145-P186 HydrophobicContact CB-CB 4.43Å; L145-P186 PolarHBondContact N-O 3.29Å; F146-P186 HydrophobicContact CB-CB 3.8Å; F146-P186 HydrophobicContact CD2-CB 4.37Å; F146-P186 PolarHBondContact N-O 2.84Å; F146-P186 VanDerWaalsContact N-O 3.15Å; P186-N188 VanDerWaalsContact C-N 3.28Å; P186-N188 PolarHBondContact O-N 2.92Å; P186-V189 PolarHBondContact O-N 2.83Å; P186-Y226 WeakPolarHBondContact CD-OH 3.15Å; P186-L249 HydrophobicContact CB-CD1 4.32Å; P186-L249 HydrophobicContact CG-CD1 3.62Å; P186-E252 WeakPolarHBondContact CD-OE2 3.5Å; P186-E252 WeakPolarHBondContact CG-OE2 3.45Å
187	E	87.3	Confident	92	Very high	52 Å²	52	21.6 Å²	21.6	24%	0.243	11%	0.106	C	C	.	.	G	3₁₀ helix	trans	-71.2	-21.2	177	-52.7	103.6	122	0	0	113.6	F146 K185 R787	F146-E187 HydrophobicContact CB-CB 4.49Å; F146-E187 HydrophobicContact CB-CG 3.85Å; F146-E187 HydrophobicContact CD1-CG 4.47Å; F146-E187 HydrophobicContact CD2-CG 4.16Å; F146-E187 HydrophobicContact CG-CG 3.9Å; K185-E187 VanDerWaalsContact CD-OE2 3.22Å; K185-E187 WeakPolarHBondContact CD-OE2 3.42Å; K185-E187 VanDerWaalsContact CG-OE2 3.24Å; K185-E187 WeakPolarHBondContact CG-OE2 3.5Å; K185-E187 PolarHBondContact O-N 2.75Å; K185-E187 VanDerWaalsContact O-N 3.15Å; E187-R787 IonicContact OE1-NH2 3.99Å
188	N	93.2	Very high	92.3	Very high	9 Å²	9	18.9 Å²	18.9	5%	0.048	9%	0.092	C	C	.	.	G	3₁₀ helix	trans	-99.6	2.9	-178.9	-74.6	10.7	0	0	0	112.9	Y181 D183 K185 P186 T200	Y181-N188 WeakPolarHBondContact OH-CB 3.31Å; D183-N188 PolarHBondContact O-ND2 3.2Å; D183-N188 PolarHBondContact OD2-ND2 2.98Å; D183-N188 VanDerWaalsContact OD2-ND2 3.16Å; K185-N188 VanDerWaalsContact CE-OD1 3.26Å; K185-N188 WeakPolarHBondContact CE-OD1 3.45Å; K185-N188 HydrophobicContact CG-CB 4.15Å; K185-N188 PolarHBondContact NZ-ND2 3.16Å; K185-N188 PolarHBondContact NZ-OD1 3.21Å; K185-N188 PolarHBondContact O-N 3.5Å; P186-N188 VanDerWaalsContact C-N 3.28Å; P186-N188 PolarHBondContact O-N 2.92Å; N188-T200 PolarHBondContact O-N 3.4Å; N188-T200 VanDerWaalsContact O-N 3.09Å
189	V	95.9	Very high	92.7	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	105.3	172.3	-175.9	0	0	0	0	107.4	D144 L145 I167 L184 P186 V197 L199 L249	D144-V189 WeakPolarHBondContact CA-O 3.42Å; L145-V189 HydrophobicContact CB-CB 4.03Å; L145-V189 HydrophobicContact CB-CG1 4.24Å; L145-V189 HydrophobicContact CD2-CB 4.32Å; L145-V189 HydrophobicContact CD2-CG1 4.08Å; L145-V189 PolarHBondContact N-O 3.32Å; I167-V189 HydrophobicContact CD1-CG1 4.03Å; I167-V189 HydrophobicContact CD1-CG2 3.92Å; I167-V189 HydrophobicContact CG1-CG1 4.49Å; L184-V189 HydrophobicContact CD1-CG2 4.02Å; P186-V189 PolarHBondContact O-N 2.83Å; V189-V197 HydrophobicContact CG1-CB 3.85Å; V189-V197 HydrophobicContact CG1-CG1 3.76Å; V189-L199 HydrophobicContact CG2-CD2 3.94Å; V189-L249 HydrophobicContact CG2-CD2 4.39Å
190	L	95.4	Very high	92.9	Very high	33 Å²	33	19.1 Å²	19.1	17%	0.173	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	157.3	177.2	-60.7	-175.9	0	0	0	110.7	L140 G143 D144 V197 R198 T200	L140-L190 HydrophobicContact CB-CB 4.17Å; L140-L190 HydrophobicContact CB-CD1 4.37Å; L140-L190 HydrophobicContact CD1-CB 3.74Å; L140-L190 HydrophobicContact CD1-CD1 3.82Å; L140-L190 HydrophobicContact CD1-CG 4.42Å; G143-L190 CarbonylContact O-C 3.52Å; G143-L190 VanDerWaalsContact O-CA 3.3Å; G143-L190 WeakPolarHBondContact O-CA 3.48Å; D144-L190 HydrophobicContact CB-CD2 3.73Å; L190-V197 CarbonylContact O-C 3.57Å; L190-V197 VanDerWaalsContact O-CA 3.24Å; L190-V197 WeakPolarHBondContact O-CA 3.46Å; L190-R198 PolarHBondContact N-O 2.96Å; L190-R198 PolarHBondContact O-N 3.15Å; L190-T200 HydrophobicContact CD1-CG2 3.76Å; L190-T200 HydrophobicContact CD2-CG2 4.47Å; L190-T200 HydrophobicContact CG-CG2 3.77Å
191	L	94.2	Very high	92.5	Very high	1 Å²	1	21.8 Å²	21.8	1%	0.005	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	137.6	175.5	-61.6	-179.2	0	0	0	110.9	L140 G142 G143 L145 Y163 H196 V197 F336 P338	L140-L191 CarbonylContact C-O 3.49Å; G142-L191 WeakPolarHBondContact CA-O 3.46Å; G142-L191 PolarHBondContact N-O 3.27Å; G143-L191 PolarHBondContact O-N 2.84Å; L145-L191 HydrophobicContact CD1-CD1 4.22Å; L145-L191 HydrophobicContact CD1-CD2 4.27Å; L145-L191 HydrophobicContact CD1-CG 4.47Å; Y163-L191 HydrophobicContact CE1-CD2 3.96Å; L191-H196 WeakPolarHBondContact CA-O 3.35Å; L191-V197 HydrophobicContact CD2-CG1 4.07Å; L191-F336 HydrophobicContact CD1-CD1 4.27Å; L191-F336 HydrophobicContact CD1-CE1 4.35Å; L191-P338 HydrophobicContact CB-CG 4.28Å; L191-P338 HydrophobicContact CD1-CG 4.39Å
192	N	92.6	Very high	92.1	Very high	22 Å²	22	21.8 Å²	21.8	12%	0.118	11%	0.106	C	C	.	.			trans	-76.6	-177.1	168.1	81.6	-7.6	0	0	0	111.3	L140 D194 G195 H196 P338	L140-N192 HydrophobicContact CD2-CB 3.86Å; N192-D194 VanDerWaalsContact C-N 3.28Å; N192-D194 PolarHBondContact O-N 3.14Å; N192-D194 PolarHBondContact OD1-N 3.41Å; N192-D194 VanDerWaalsContact OD1-N 3.08Å; N192-G195 PolarHBondContact O-N 2.77Å; N192-G195 PolarHBondContact OD1-N 3.26Å; N192-H196 PolarHBondContact N-O 2.75Å; N192-H196 PolarHBondContact OD1-N 3.05Å; N192-P338 WeakPolarHBondContact O-CG 3.49Å
193	E	90.9	Very high	91	Very high	85 Å²	85	21.3 Å²	21.3	40%	0.397	11%	0.108	S	C	.	.	S	Bend	trans	-71.9	-15.8	-177.8	61.5	-168.2	-141.8	0	0	115.5	R141 K337	R141-E193 HydrophobicContact CB-CB 4.32Å; R141-E193 WeakPolarHBondContact CD-OE2 3.45Å; R141-E193 IonicContact CZ-OE2 3.56Å; R141-E193 IonicContact NE-OE2 3.61Å; R141-E193 IonicContact NH1-OE1 2.71Å; R141-E193 IonicContact NH1-OE2 2.67Å; R141-E193 PolarHBondContact NH1-OE2 3.19Å; E193-K337 VanDerWaalsContact O-CE 3.31Å; E193-K337 WeakPolarHBondContact O-CE 3.45Å
194	D	91.2	Very high	89.8	Confident	68 Å²	68	22.4 Å²	22.4	36%	0.364	11%	0.114	S	C	.	.	S	Bend	trans	-92.5	-21.4	173.4	-68	-57.4	0	0	0	112.8	N192 K337	N192-D194 VanDerWaalsContact C-N 3.28Å; N192-D194 PolarHBondContact O-N 3.14Å; N192-D194 PolarHBondContact OD1-N 3.41Å; N192-D194 VanDerWaalsContact OD1-N 3.08Å; D194-K337 IonicContact OD1-NZ 2.89Å; D194-K337 PolarHBondContact OD1-NZ 3.15Å
195	G	92.7	Very high	88.3	Confident	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.115	C	C	.	.	S	Bend	trans	109.5	7.4	179	0	0	0	0	0	115.7	Y163 N192 F336	Y163-G195 WeakPolarHBondContact CE1-O 3.45Å; N192-G195 PolarHBondContact O-N 2.77Å; N192-G195 PolarHBondContact OD1-N 3.26Å; G195-F336 WeakPolarHBondContact CA-O 3.45Å
196	H	96.3	Very high	87.2	Confident	23 Å²	23	25.1 Å²	25.1	11%	0.106	13%	0.126	C	C	.	.			trans	-76.8	150	172.5	-65.7	-82.7	0	0	0	111.5	Y119 F162 E166 L191 N192 I332 P334	Y119-H196 HydrophobicContact CE1-CB 4.35Å; F162-H196 AromaticContact CZ-ND1 3.83Å; E166-H196 IonicContact OE1-CE1 2.65Å; E166-H196 IonicContact OE1-CG 2.84Å; E166-H196 IonicContact OE1-ND1 2.76Å; E166-H196 PolarHBondContact OE1-ND1 3.48Å; E166-H196 WeakPolarHBondContact OE2-CA 3.43Å; L191-H196 WeakPolarHBondContact CA-O 3.35Å; N192-H196 PolarHBondContact N-O 2.75Å; N192-H196 PolarHBondContact OD1-N 3.05Å; H196-I332 PolarHBondContact CE1-O 3.45Å; H196-I332 VanDerWaalsContact CE1-O 3.32Å; H196-P334 WeakPolarHBondContact NE2-CD 3.41Å; H196-P334 WeakPolarHBondContact NE2-CG 3.5Å
197	V	97.2	Very high	85.8	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	159.6	-179.5	-51	0	0	0	0	113.7	Y119 Y163 E166 I167 V189 L190 L191	Y119-V197 HydrophobicContact CD1-CG2 4.03Å; Y119-V197 HydrophobicContact CG-CG2 4.24Å; Y163-V197 HydrophobicContact CD1-CG1 3.48Å; Y163-V197 VanDerWaalsContact CD1-CG1 3.48Å; Y163-V197 HydrophobicContact CE1-CG1 4.16Å; Y163-V197 HydrophobicContact CG-CG1 4.32Å; E166-V197 HydrophobicContact CB-CG2 3.5Å; E166-V197 PolarHBondContact OE2-N 2.68Å; I167-V197 HydrophobicContact CG1-CG2 4.14Å; V189-V197 HydrophobicContact CG1-CB 3.85Å; V189-V197 HydrophobicContact CG1-CG1 3.76Å; L190-V197 CarbonylContact O-C 3.57Å; L190-V197 VanDerWaalsContact O-CA 3.24Å; L190-V197 WeakPolarHBondContact O-CA 3.46Å; L191-V197 HydrophobicContact CD2-CG1 4.07Å
198	R	96.8	Very high	84.2	Confident	40 Å²	40	27.5 Å²	27.5	15%	0.151	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	129.9	157.9	-58.3	-70.8	-174.2	-89.8	11.8	109.3	P118 Y119 E138 L140 L190	P118-R198 WeakPolarHBondContact O-CD 3.43Å; P118-R198 PolarHBondContact O-NE 3.26Å; P118-R198 VanDerWaalsContact O-NE 3.15Å; P118-R198 PolarHBondContact O-NH1 2.96Å; P118-R198 PolarHBondContact O-NH2 3.13Å; Y119-R198 WeakPolarHBondContact O-CA 3.47Å; E138-R198 WeakPolarHBondContact OE1-CD 3.5Å; E138-R198 IonicContact OE1-NE 2.84Å; E138-R198 PolarHBondContact OE1-NE 3.33Å; L140-R198 HydrophobicContact CD1-CB 3.53Å; L140-R198 HydrophobicContact CD1-CG 3.58Å; L140-R198 HydrophobicContact CD2-CB 4.49Å; L140-R198 HydrophobicContact CD2-CG 3.62Å; L140-R198 HydrophobicContact CG-CG 4.25Å; L190-R198 PolarHBondContact N-O 2.96Å; L190-R198 PolarHBondContact O-N 3.15Å
199	L	96.8	Very high	82.2	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	136.7	167.2	-61.5	-174.1	0	0	0	110.4	Y119 V121 I167 A170 L171 L184 V189 F202	Y119-L199 PolarHBondContact O-N 3.4Å; V121-L199 WeakPolarHBondContact CB-O 3.34Å; V121-L199 WeakPolarHBondContact CG1-O 3.45Å; V121-L199 PolarHBondContact N-O 3.24Å; I167-L199 HydrophobicContact CG1-CD2 4.32Å; I167-L199 HydrophobicContact CG2-CD2 4.43Å; A170-L199 HydrophobicContact CB-CD1 3.67Å; A170-L199 HydrophobicContact CB-CG 4.11Å; L171-L199 HydrophobicContact CD2-CD1 4.34Å; L184-L199 HydrophobicContact CD1-CD2 3.87Å; V189-L199 HydrophobicContact CG2-CD2 3.94Å; L199-F202 HydrophobicContact CB-CZ 4.35Å
200	T	92.5	Very high	80.1	Confident	19 Å²	19	38.1 Å²	38.1	12%	0.117	19%	0.189	C	C	.	.			trans	-128.5	-175.5	179.3	-164.1	0	0	0	0	112.6	Y181 N188 L190	Y181-T200 PolarHBondContact OH-O 3.31Å; N188-T200 PolarHBondContact O-N 3.4Å; N188-T200 VanDerWaalsContact O-N 3.09Å; L190-T200 HydrophobicContact CD1-CG2 3.76Å; L190-T200 HydrophobicContact CD2-CG2 4.47Å; L190-T200 HydrophobicContact CG-CG2 3.77Å
201	D	83.3	Confident	77.9	Confident	56 Å²	56	39.8 Å²	39.8	30%	0.299	20%	0.195	S	C	.	.			trans	50.9	65.6	175.6	-159.7	22.5	0	0	0	115.4	K90 G203	K90-D201 IonicContact NZ-OD1 2.74Å; K90-D201 PolarHBondContact NZ-OD1 3.2Å; D201-G203 PolarHBondContact O-N 3.16Å; D201-G203 VanDerWaalsContact O-N 3.08Å
202	F	82.9	Confident	75.7	Confident	1 Å²	1	45.6 Å²	45.6	0%	0.004	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-74.7	8.8	179.2	-71.9	-101.4	0	0	0	113.6	E108 I111 L112 I115 I120 V121 L174 Y181 L199 L204 S205	E108-F202 HydrophobicContact CB-CB 4.43Å; E108-F202 HydrophobicContact CG-CB 4.12Å; E108-F202 PolarHBondContact OE1-N 3.39Å; I111-F202 HydrophobicContact CG2-CD1 3.91Å; I111-F202 HydrophobicContact CG2-CE1 4.49Å; I111-F202 HydrophobicContact CG2-CG 4.45Å; L112-F202 HydrophobicContact CD2-CD2 3.77Å; L112-F202 HydrophobicContact CD2-CE2 4.02Å; L112-F202 HydrophobicContact CD2-CG 4.37Å; L112-F202 HydrophobicContact CG-CD2 4.26Å; L112-F202 HydrophobicContact CG-CG 4.49Å; I115-F202 HydrophobicContact CD1-CE1 4.03Å; I115-F202 HydrophobicContact CD1-CZ 4.16Å; I120-F202 HydrophobicContact CG2-CE1 4.43Å; I120-F202 HydrophobicContact CG2-CE2 3.7Å; I120-F202 HydrophobicContact CG2-CZ 3.41Å; I120-F202 VanDerWaalsContact CG2-CZ 3.41Å; V121-F202 HydrophobicContact CG1-CE2 4.21Å; L174-F202 HydrophobicContact CD1-CE1 3.73Å; L174-F202 HydrophobicContact CD1-CZ 4.24Å; L174-F202 HydrophobicContact CD2-CE1 3.76Å; L174-F202 HydrophobicContact CG-CE1 4.4Å; Y181-F202 AromaticContact CD2-CD1 3.98Å; Y181-F202 HydrophobicContact CD2-CD1 3.98Å; Y181-F202 AromaticContact CD2-CE1 3.73Å; Y181-F202 HydrophobicContact CD2-CE1 3.73Å; Y181-F202 HydrophobicContact CD2-CZ 4.2Å; Y181-F202 HydrophobicContact CE2-CD1 4.12Å; Y181-F202 HydrophobicContact CE2-CD2 4.46Å; Y181-F202 AromaticContact CE2-CE1 3.93Å; Y181-F202 HydrophobicContact CE2-CE1 3.93Å; Y181-F202 HydrophobicContact CE2-CE2 4.28Å; Y181-F202 HydrophobicContact CE2-CG 4.37Å; Y181-F202 HydrophobicContact CE2-CZ 4Å; L199-F202 HydrophobicContact CB-CZ 4.35Å; F202-L204 PolarHBondContact O-N 2.64Å; F202-S205 WeakPolarHBondContact CD1-OG 3.27Å; F202-S205 WeakPolarHBondContact O-CB 3.42Å; F202-S205 PolarHBondContact O-N 3.16Å; F202-S205 PolarHBondContact O-OG 2.59Å
203	G	67.2	Low	73.5	Confident	12 Å²	12	47.7 Å²	47.7	12%	0.124	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-62.7	-11.8	-179.9	0	0	0	0	0	115.4	R104 D201	R104-G203 VanDerWaalsContact CB-O 3.3Å; R104-G203 WeakPolarHBondContact CB-O 3.46Å; R104-G203 WeakPolarHBondContact CD-O 3.12Å; R104-G203 VanDerWaalsContact CG-O 3.23Å; R104-G203 WeakPolarHBondContact CG-O 3.43Å; D201-G203 PolarHBondContact O-N 3.16Å; D201-G203 VanDerWaalsContact O-N 3.08Å
204	L	62.5	Low	71.4	Confident	33 Å²	33	46.2 Å²	46.2	17%	0.173	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-112	-1	171	-68.1	-173	0	0	0	114.3	R182 D183 F202 C221	R182-L204 PolarHBondContact NE-O 2.93Å; R182-L204 PolarHBondContact NH2-O 2.9Å; D183-L204 HydrophobicContact CB-CB 4.11Å; D183-L204 HydrophobicContact CB-CD1 3.95Å; F202-L204 PolarHBondContact O-N 2.64Å; L204-C221 HydrophobicContact CD1-CB 4.45Å; L204-C221 HydrophobicContact CD2-CB 3.95Å
205	S	62.7	Low	69.5	Low	3 Å²	3	46.4 Å²	46.4	2%	0.021	27%	0.265	C	S	.	.			trans	-65.7	161.5	175.3	-52.6	0	0	0	0	111.5	V180 Y181 F202	V180-S205 CarbonylContact O-C 3.49Å; V180-S205 WeakPolarHBondContact O-CA 3.27Å; V180-S205 WeakPolarHBondContact O-CB 3.28Å; Y181-S205 WeakPolarHBondContact O-CA 3.19Å; Y181-S205 PolarHBondContact O-N 2.99Å; Y181-S205 PolarHBondContact O-OG 2.96Å; F202-S205 WeakPolarHBondContact CD1-OG 3.27Å; F202-S205 WeakPolarHBondContact O-CB 3.42Å; F202-S205 PolarHBondContact O-N 3.16Å; F202-S205 PolarHBondContact O-OG 2.59Å
206	K	68.3	Low	67.7	Low	70 Å²	70	53.4 Å²	53.4	30%	0.304	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152	135.8	174.2	176	168.3	174	-175.4	0	111.1	V180 S208 T217	V180-K206 PolarHBondContact N-O 3.3Å; V180-K206 PolarHBondContact O-N 3.4Å; K206-S208 PolarHBondContact O-N 3Å; K206-S208 VanDerWaalsContact O-N 3.15Å; K206-T217 HydrophobicContact CD-CG2 4.35Å
207	E	62.7	Low	65.5	Low	89 Å²	89	52.5 Å²	52.5	42%	0.416	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.1	110.1	164.1	-65.3	170.7	153.5	0	0	108.6	L107 R114 G178 I179	L107-E207 HydrophobicContact CD1-CG 4.32Å; R114-E207 IonicContact NH1-OE1 2.77Å; R114-E207 PolarHBondContact NH1-OE1 2.98Å; G178-E207 CarbonylContact O-C 3.35Å; G178-E207 VanDerWaalsContact O-CA 3.32Å; G178-E207 WeakPolarHBondContact O-CA 3.46Å; I179-E207 HydrophobicContact CG1-CG 4.44Å
208	S	53.6	Low	63.4	Low	13 Å²	13	59.8 Å²	59.8	9%	0.091	32%	0.316	C	S	.	.			trans	-92	120.4	161.2	55	0	0	0	0	108.1	G178 V180 K206 F210	G178-S208 CarbonylContact O-C 3.49Å; G178-S208 PolarHBondContact O-N 2.96Å; G178-S208 PolarHBondContact O-OG 3.46Å; V180-S208 WeakPolarHBondContact CG2-OG 3.19Å; K206-S208 PolarHBondContact O-N 3Å; K206-S208 VanDerWaalsContact O-N 3.15Å; S208-F210 PolarHBondContact O-N 3.49Å
209	I	50.9	Low	61.3	Low	106 Å²	106	60.5 Å²	60.5	54%	0.544	33%	0.327	S	S	.	.			trans	-54.3	135.5	162.5	-54	160.2	0	0	0	106.7	A213 D215	I209-A213 HydrophobicContact CG2-CB 4.03Å; I209-D215 HydrophobicContact CB-CB 3.81Å; I209-D215 VanDerWaalsContact CB-OD2 3.3Å; I209-D215 WeakPolarHBondContact CB-OD2 3.17Å; I209-D215 WeakPolarHBondContact CD1-OD2 3.15Å; I209-D215 HydrophobicContact CG2-CB 4.46Å; I209-D215 VanDerWaalsContact CG2-OD2 3.25Å; I209-D215 WeakPolarHBondContact CG2-OD2 3.11Å
210	F	50.5	Low	58.8	Low	127 Å²	127	63.3 Å²	63.3	56%	0.557	34%	0.34	S	S	*	.			trans	-44.5	143	-164.9	-61.3	-89.1	0	0	0	113.6	S208 S212 A213	S208-F210 PolarHBondContact O-N 3.49Å; F210-S212 PolarHBondContact O-N 3.47Å; F210-A213 WeakPolarHBondContact O-CB 3.34Å; F210-A213 PolarHBondContact O-N 3.06Å
211	E	50.4	Low	56.6	Low	67 Å²	67	63 Å²	63	31%	0.313	34%	0.338	S	S	.	.	G	3₁₀ helix	trans	-54	-26.8	-178.7	-62.8	-160.8	135.1	0	0	112.9	A213 G214 T239	E211-A213 PolarHBondContact O-N 2.91Å; E211-G214 PolarHBondContact O-N 3.08Å; E211-T239 PolarHBondContact OE1-N 3.12Å; E211-T239 PolarHBondContact OE1-OG1 3.2Å; E211-T239 VanDerWaalsContact OE1-OG1 3.08Å
212	S	48.8	Very low	55.3	Low	124 Å²	124	61.1 Å²	61.1	87%	0.867	33%	0.332	S	S	*	.	G	3₁₀ helix	trans	-55.8	-25.6	171.6	-43.9	0	0	0	0	115.1	F210	F210-S212 PolarHBondContact O-N 3.47Å
213	A	46.4	Very low	54.7	Low	65 Å²	65	62.3 Å²	62.3	54%	0.537	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	-89	-7.8	176.1	0	0	0	0	0	113.1	I209 F210 E211 D215	I209-A213 HydrophobicContact CG2-CB 4.03Å; F210-A213 WeakPolarHBondContact O-CB 3.34Å; F210-A213 PolarHBondContact O-N 3.06Å; E211-A213 PolarHBondContact O-N 2.91Å; A213-D215 PolarHBondContact O-N 3.01Å
214	G	46.2	Very low	55.4	Low	54 Å²	54	62.1 Å²	62.1	56%	0.557	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	76	3.8	-175.8	0	0	0	0	0	114.7	E211	E211-G214 PolarHBondContact O-N 3.08Å
215	D	51.7	Low	56.7	Low	73 Å²	73	61.8 Å²	61.8	39%	0.39	33%	0.333	S	S	.	.			trans	-66.7	133.3	-176.3	-85.4	-53.9	0	0	0	113	I209 A213	I209-D215 HydrophobicContact CB-CB 3.81Å; I209-D215 VanDerWaalsContact CB-OD2 3.3Å; I209-D215 WeakPolarHBondContact CB-OD2 3.17Å; I209-D215 WeakPolarHBondContact CD1-OD2 3.15Å; I209-D215 HydrophobicContact CG2-CB 4.46Å; I209-D215 VanDerWaalsContact CG2-OD2 3.25Å; I209-D215 WeakPolarHBondContact CG2-OD2 3.11Å; A213-D215 PolarHBondContact O-N 3.01Å
216	R	53.9	Low	58.1	Low	147 Å²	147	62.3 Å²	62.3	56%	0.555	34%	0.335	S	S	*	.			trans	-129.5	144.8	-177.7	-62.9	-176.8	-173.8	-177.8	4	111.3	Y218 H235	R216-Y218 HydrophobicContact CB-CE2 4.35Å; R216-Y218 WeakPolarHBondContact O-CE2 3.43Å; R216-H235 PolarHBondContact NH1-O 3.11Å
217	T	50.3	Low	59.2	Low	3 Å²	3	59.4 Å²	59.4	2%	0.018	32%	0.323	C	S	.	.	B	Isolated β-bridge	trans	-94	126.7	169.7	161.2	0	0	0	0	111.5	R182 K206 S219 G236 H237	R182-T217 PolarHBondContact NH1-OG1 2.91Å; K206-T217 HydrophobicContact CD-CG2 4.35Å; T217-S219 PolarHBondContact OG1-N 3.37Å; T217-G236 WeakPolarHBondContact O-CA 3.36Å; T217-H237 WeakPolarHBondContact CG2-O 3.44Å; T217-H237 PolarHBondContact N-O 2.95Å; T217-H237 PolarHBondContact O-N 2.84Å; T217-H237 PolarHBondContact O-ND1 2.84Å
218	Y	52.2	Low	60.7	Low	154 Å²	154	55.2 Å²	55.2	60%	0.604	30%	0.303	S	S	*	.			trans	-94.3	7.1	179.8	-58.5	-84.2	0	0	0	114.8	R216 F220	R216-Y218 HydrophobicContact CB-CE2 4.35Å; R216-Y218 WeakPolarHBondContact O-CE2 3.43Å; Y218-F220 PolarHBondContact O-N 2.87Å
219	S	54.3	Low	62.6	Low	54 Å²	54	55 Å²	55	38%	0.378	30%	0.302	S	S	.	.			trans	-78.7	116.9	-172.3	-58.1	0	0	0	0	113.9	T217 C221 H237	T217-S219 PolarHBondContact OG1-N 3.37Å; S219-C221 PolarHBondContact O-N 2.89Å; S219-C221 VanDerWaalsContact O-N 3.15Å; S219-H237 PolarHBondContact N-CE1 2.88Å; S219-H237 PolarHBondContact O-CE1 3.2Å
220	F	44	Very low	64.5	Low	60 Å²	60	50.7 Å²	50.7	26%	0.263	28%	0.279	S	S	.	.			trans	-72.2	101.5	172.4	-171.6	-86.8	0	0	0	111.6	Y218 M227 R234 M269	Y218-F220 PolarHBondContact O-N 2.87Å; F220-M227 HydrophobicContact CD1-CE 4.41Å; F220-M227 HydrophobicContact CD2-SD 4.42Å; F220-M227 HydrophobicContact CE1-CE 3.82Å; F220-M227 HydrophobicContact CE1-SD 4.23Å; F220-M227 HydrophobicContact CE2-CE 4.35Å; F220-M227 HydrophobicContact CE2-SD 3.71Å; F220-M227 HydrophobicContact CZ-CE 3.77Å; F220-M227 HydrophobicContact CZ-SD 3.56Å; F220-M227 VanDerWaalsContact CZ-SD 3.56Å; F220-R234 HydrophobicContact CD2-CG 4.37Å; F220-M269 HydrophobicContact CE1-CE 4.39Å; F220-M269 HydrophobicContact CE2-CE 4.18Å; F220-M269 HydrophobicContact CZ-CE 3.51Å
221	C	46.9	Very low	66.3	Low	12 Å²	12	45 Å²	45	8%	0.081	25%	0.254	C	S	.	.			trans	-156.3	160	175.6	55.4	0	0	0	0	112.1	L204 S219	L204-C221 HydrophobicContact CD1-CB 4.45Å; L204-C221 HydrophobicContact CD2-CB 3.95Å; S219-C221 PolarHBondContact O-N 2.89Å; S219-C221 VanDerWaalsContact O-N 3.15Å
222	G	54.6	Low	68.1	Low	17 Å²	17	42.5 Å²	42.5	18%	0.175	24%	0.244	C	C	.	.	S	Bend	trans	120	177.5	-172.1	0	0	0	0	0	111.9	M227	G222-M227 WeakPolarHBondContact O-CE 3.28Å
223	T	69.9	Low	69.7	Low	26 Å²	26	38.7 Å²	38.7	16%	0.16	22%	0.217	C	C	.	.			trans	-83	124.8	169.1	-61.8	0	0	0	0	109.2	D183 E225 Y226 M227	D183-T223 PolarHBondContact OD1-N 3.43Å; D183-T223 PolarHBondContact OD1-OG1 2.91Å; T223-E225 HydrophobicContact CG2-CB 4.44Å; T223-E225 VanDerWaalsContact CG2-OE2 3.27Å; T223-E225 WeakPolarHBondContact CG2-OE2 3.46Å; T223-E225 PolarHBondContact O-N 2.65Å; T223-E225 VanDerWaalsContact O-N 3.15Å; T223-Y226 HydrophobicContact CG2-CD2 3.68Å; T223-Y226 HydrophobicContact CG2-CE2 3.92Å; T223-Y226 PolarHBondContact O-N 2.75Å; T223-M227 WeakPolarHBondContact O-CG 3.48Å; T223-M227 PolarHBondContact O-N 3.21Å
224	V	83.6	Confident	71.1	Confident	7 Å²	7	43.6 Å²	43.6	4%	0.042	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-57.7	-38.6	-165.3	173.9	0	0	0	0	111.7	Y226 M227 R265 T268 M269 I272	V224-Y226 PolarHBondContact O-N 2.7Å; V224-M227 HydrophobicContact CG2-CE 4.05Å; V224-M227 HydrophobicContact CG2-SD 4.36Å; V224-M227 WeakPolarHBondContact O-CB 3.23Å; V224-M227 PolarHBondContact O-N 2.85Å; V224-M227 VanDerWaalsContact O-N 3.16Å; V224-R265 HydrophobicContact CB-CG 4.42Å; V224-R265 HydrophobicContact CG1-CG 4.12Å; V224-R265 HydrophobicContact CG2-CG 4.03Å; V224-T268 HydrophobicContact CG1-CG2 4.31Å; V224-M269 HydrophobicContact CG1-CE 4.13Å; V224-M269 HydrophobicContact CG1-CG 3.77Å; V224-M269 HydrophobicContact CG2-CE 4.24Å; V224-I272 HydrophobicContact CG1-CD1 4.49Å; V224-I272 WeakPolarHBondContact O-CD1 3.22Å
225	E	89.4	Confident	72	Confident	27 Å²	27	47 Å²	47	13%	0.126	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-60	-27.1	178.9	-64.2	75.5	-173.5	0	0	113.4	T223 L258 T268	T223-E225 HydrophobicContact CG2-CB 4.44Å; T223-E225 VanDerWaalsContact CG2-OE2 3.27Å; T223-E225 WeakPolarHBondContact CG2-OE2 3.46Å; T223-E225 PolarHBondContact O-N 2.65Å; T223-E225 VanDerWaalsContact O-N 3.15Å; E225-L258 HydrophobicContact CB-CD1 3.9Å; E225-L258 HydrophobicContact CB-CD2 4.39Å; E225-L258 HydrophobicContact CG-CD1 3.91Å; E225-T268 HydrophobicContact CG-CG2 4.28Å
226	Y	92.4	Very high	72.6	Confident	14 Å²	14	43.7 Å²	43.7	6%	0.055	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-102.1	-8.9	177.7	-57.2	-101.3	0	0	0	112.9	L184 K185 P186 T223 V224 A228 W244 S245 V248 E252 L258	L184-Y226 VanDerWaalsContact O-CD1 3.23Å; L184-Y226 WeakPolarHBondContact O-CD1 3.37Å; K185-Y226 HydrophobicContact CB-CD1 4.13Å; K185-Y226 HydrophobicContact CB-CD2 4.13Å; K185-Y226 HydrophobicContact CB-CE1 3.84Å; K185-Y226 HydrophobicContact CB-CE2 3.81Å; K185-Y226 HydrophobicContact CB-CG 4.29Å; P186-Y226 WeakPolarHBondContact CD-OH 3.15Å; T223-Y226 HydrophobicContact CG2-CD2 3.68Å; T223-Y226 HydrophobicContact CG2-CE2 3.92Å; T223-Y226 PolarHBondContact O-N 2.75Å; V224-Y226 PolarHBondContact O-N 2.7Å; Y226-A228 PolarHBondContact O-N 2.8Å; Y226-W244 VanDerWaalsContact O-CD1 3.31Å; Y226-S245 PolarHBondContact O-OG 2.98Å; Y226-V248 HydrophobicContact CD1-CB 3.77Å; Y226-V248 HydrophobicContact CD1-CG1 3.34Å; Y226-V248 HydrophobicContact CE1-CB 4.38Å; Y226-V248 HydrophobicContact CE1-CG1 3.63Å; Y226-V248 HydrophobicContact CG-CB 4.44Å; Y226-V248 HydrophobicContact CG-CG1 3.92Å; Y226-E252 WeakPolarHBondContact CE1-OE2 3.5Å; Y226-E252 VanDerWaalsContact OH-CD 3.22Å; Y226-E252 PolarHBondContact OH-OE1 2.84Å; Y226-E252 PolarHBondContact OH-OE2 2.89Å; Y226-L258 HydrophobicContact CE1-CD2 4.27Å; Y226-L258 HydrophobicContact CE2-CD2 4.23Å
227	M	90.6	Very high	73.2	Confident	9 Å²	9	37 Å²	37	4%	0.044	18%	0.182	C	C	.	.			trans	-65.1	135.1	-177.3	-71.4	-176.5	-172.6	0	0	112.2	F220 G222 T223 V224 V231 V232 W244 I272	F220-M227 HydrophobicContact CD1-CE 4.41Å; F220-M227 HydrophobicContact CD2-SD 4.42Å; F220-M227 HydrophobicContact CE1-CE 3.82Å; F220-M227 HydrophobicContact CE1-SD 4.23Å; F220-M227 HydrophobicContact CE2-CE 4.35Å; F220-M227 HydrophobicContact CE2-SD 3.71Å; F220-M227 HydrophobicContact CZ-CE 3.77Å; F220-M227 HydrophobicContact CZ-SD 3.56Å; F220-M227 VanDerWaalsContact CZ-SD 3.56Å; G222-M227 WeakPolarHBondContact O-CE 3.28Å; T223-M227 WeakPolarHBondContact O-CG 3.48Å; T223-M227 PolarHBondContact O-N 3.21Å; V224-M227 HydrophobicContact CG2-CE 4.05Å; V224-M227 HydrophobicContact CG2-SD 4.36Å; V224-M227 WeakPolarHBondContact O-CB 3.23Å; V224-M227 PolarHBondContact O-N 2.85Å; V224-M227 VanDerWaalsContact O-N 3.16Å; M227-V231 HydrophobicContact CB-CB 4.35Å; M227-V231 HydrophobicContact CB-CG1 4.37Å; M227-V231 HydrophobicContact CG-CG1 4.16Å; M227-V231 HydrophobicContact SD-CG1 4.09Å; M227-V232 HydrophobicContact CB-CG2 3.62Å; M227-V232 HydrophobicContact SD-CG2 4.33Å; M227-W244 PolarHBondContact O-NE1 3.39Å; M227-I272 WeakPolarHBondContact O-CG2 3.46Å
228	A	93.4	Very high	74.8	Confident	1 Å²	1	37.6 Å²	37.6	1%	0.008	19%	0.188	C	C	.	.			trans	-67.7	152.4	171.6	0	0	0	0	0	112.5	Y226 E230 V231 V232 A241 W244	Y226-A228 PolarHBondContact O-N 2.8Å; A228-E230 VanDerWaalsContact C-N 3.26Å; A228-E230 VanDerWaalsContact CB-CD 3.4Å; A228-E230 HydrophobicContact CB-CG 4.38Å; A228-E230 VanDerWaalsContact CB-OE1 3.26Å; A228-E230 WeakPolarHBondContact CB-OE1 3.21Å; A228-E230 WeakPolarHBondContact CB-OE2 3.19Å; A228-E230 PolarHBondContact O-N 3.49Å; A228-V231 HydrophobicContact CB-CG2 4.09Å; A228-V231 WeakPolarHBondContact O-CA 3.23Å; A228-V231 WeakPolarHBondContact O-CB 3.36Å; A228-V231 PolarHBondContact O-N 2.95Å; A228-V232 PolarHBondContact O-N 2.71Å; A228-A241 HydrophobicContact CB-CB 4.04Å; A228-W244 VanDerWaalsContact CA-CD1 3.46Å; A228-W244 HydrophobicContact CB-CB 3.63Å; A228-W244 HydrophobicContact CB-CD2 4.3Å; A228-W244 HydrophobicContact CB-CG 3.67Å
229	P	94	Very high	76.6	Confident	9 Å²	9	30.8 Å²	30.8	6%	0.058	16%	0.162	C	C	.	.	H	α-helix	trans	-54.3	-36.9	-179.1	-28	35.9	0	0	0	114.3	V232 S233 W244 I272 L273 R297	P229-V232 PolarHBondContact O-N 2.9Å; P229-S233 VanDerWaalsContact O-CB 3.3Å; P229-S233 WeakPolarHBondContact O-CB 3.49Å; P229-S233 PolarHBondContact O-N 3.43Å; P229-S233 PolarHBondContact O-OG 3Å; P229-W244 HydrophobicContact CG-CD2 4.43Å; P229-W244 HydrophobicContact CG-CE3 4.07Å; P229-W244 HydrophobicContact CG-CH2 3.56Å; P229-W244 HydrophobicContact CG-CZ2 3.96Å; P229-W244 HydrophobicContact CG-CZ3 3.62Å; P229-I272 HydrophobicContact CG-CG2 4.07Å; P229-L273 HydrophobicContact CB-CD2 4.21Å; P229-R297 HydrophobicContact CG-CB 4.31Å; P229-R297 HydrophobicContact CG-CG 4.08Å
230	E	91.4	Very high	78.4	Confident	14 Å²	14	28.4 Å²	28.4	7%	0.065	15%	0.146	C	C	.	.	H	α-helix	trans	-67.1	-34.1	175.7	65.3	-82.8	-164.3	0	0	113	A228 S233 R234 H235 H237 P299 R302	A228-E230 VanDerWaalsContact C-N 3.26Å; A228-E230 VanDerWaalsContact CB-CD 3.4Å; A228-E230 HydrophobicContact CB-CG 4.38Å; A228-E230 VanDerWaalsContact CB-OE1 3.26Å; A228-E230 WeakPolarHBondContact CB-OE1 3.21Å; A228-E230 WeakPolarHBondContact CB-OE2 3.19Å; A228-E230 PolarHBondContact O-N 3.49Å; E230-S233 WeakPolarHBondContact CA-OG 3.29Å; E230-S233 PolarHBondContact O-OG 3.15Å; E230-R234 PolarHBondContact O-N 2.85Å; E230-H235 PolarHBondContact O-N 3.48Å; E230-H235 VanDerWaalsContact O-N 3.14Å; E230-H237 HydrophobicContact CG-CB 4.02Å; E230-P299 HydrophobicContact CB-CG 4.18Å; E230-P299 HydrophobicContact CG-CG 3.96Å; E230-R302 IonicContact OE1-CZ 3.6Å; E230-R302 IonicContact OE1-NH1 3.07Å; E230-R302 PolarHBondContact OE1-NH1 2.96Å; E230-R302 IonicContact OE1-NH2 2.8Å; E230-R302 PolarHBondContact OE1-NH2 3.11Å; E230-R302 IonicContact OE2-CZ 2.68Å; E230-R302 IonicContact OE2-NH1 3.72Å; E230-R302 IonicContact OE2-NH2 2.69Å; E230-R302 PolarHBondContact OE2-NH2 2.97Å
231	V	88.6	Confident	80.8	Confident	7 Å²	7	25.7 Å²	25.7	4%	0.042	14%	0.135	C	C	.	.	H	α-helix	trans	-70.9	-45.4	173.8	-176	0	0	0	0	110	M227 A228 S233 R234 H237 A241	M227-V231 HydrophobicContact CB-CB 4.35Å; M227-V231 HydrophobicContact CB-CG1 4.37Å; M227-V231 HydrophobicContact CG-CG1 4.16Å; M227-V231 HydrophobicContact SD-CG1 4.09Å; A228-V231 HydrophobicContact CB-CG2 4.09Å; A228-V231 WeakPolarHBondContact O-CA 3.23Å; A228-V231 WeakPolarHBondContact O-CB 3.36Å; A228-V231 PolarHBondContact O-N 2.95Å; V231-S233 VanDerWaalsContact C-N 3.3Å; V231-S233 PolarHBondContact O-N 3.26Å; V231-R234 PolarHBondContact O-N 2.87Å; V231-H237 HydrophobicContact CG2-CB 3.91Å; V231-A241 HydrophobicContact CG2-CB 3.82Å
232	V	86.5	Confident	83.1	Confident	16 Å²	16	25.1 Å²	25.1	10%	0.097	13%	0.131	C	C	.	.	H	α-helix	trans	-61	-40.6	177.6	175.8	0	0	0	0	111.4	M227 A228 P229 M269 I272 L273	M227-V232 HydrophobicContact CB-CG2 3.62Å; M227-V232 HydrophobicContact SD-CG2 4.33Å; A228-V232 PolarHBondContact O-N 2.71Å; P229-V232 PolarHBondContact O-N 2.9Å; V232-M269 HydrophobicContact CG1-CB 3.87Å; V232-M269 HydrophobicContact CG1-CG 3.97Å; V232-I272 HydrophobicContact CG2-CD1 4.31Å; V232-I272 HydrophobicContact CG2-CG2 3.94Å; V232-L273 HydrophobicContact CB-CD2 4.28Å; V232-L273 HydrophobicContact CG1-CD1 4.02Å; V232-L273 HydrophobicContact CG1-CD2 4.14Å; V232-L273 HydrophobicContact CG1-CG 3.95Å
233	S	83.3	Confident	85.1	Confident	43 Å²	43	24.4 Å²	24.4	30%	0.301	12%	0.123	S	C	.	.	H	α-helix	trans	-88.1	-4	-179.7	61.2	0	0	0	0	114.9	P229 E230 V231 H235	P229-S233 VanDerWaalsContact O-CB 3.3Å; P229-S233 WeakPolarHBondContact O-CB 3.49Å; P229-S233 PolarHBondContact O-N 3.43Å; P229-S233 PolarHBondContact O-OG 3Å; E230-S233 WeakPolarHBondContact CA-OG 3.29Å; E230-S233 PolarHBondContact O-OG 3.15Å; V231-S233 VanDerWaalsContact C-N 3.3Å; V231-S233 PolarHBondContact O-N 3.26Å; S233-H235 VanDerWaalsContact CB-ND1 3.3Å; S233-H235 WeakPolarHBondContact CB-ND1 3.25Å; S233-H235 PolarHBondContact O-N 2.99Å; S233-H235 PolarHBondContact O-ND1 3.04Å; S233-H235 PolarHBondContact OG-ND1 2.81Å
234	R	76.6	Confident	86.4	Confident	168 Å²	168	23.2 Å²	23.2	63%	0.634	12%	0.115	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.9	23.7	175.7	-49.5	-179.3	179.1	-173.7	1	116.3	F220 E230 V231 G236	F220-R234 HydrophobicContact CD2-CG 4.37Å; E230-R234 PolarHBondContact O-N 2.85Å; V231-R234 PolarHBondContact O-N 2.87Å; R234-G236 PolarHBondContact O-N 2.74Å
235	H	63.6	Low	87	Confident	125 Å²	125	23.1 Å²	23.1	58%	0.579	12%	0.115	S	C	*	.	S	Bend	trans	-77.2	17.6	-178.4	-71.1	95.2	0	0	0	115	R216 E230 S233	R216-H235 PolarHBondContact NH1-O 3.11Å; E230-H235 PolarHBondContact O-N 3.48Å; E230-H235 VanDerWaalsContact O-N 3.14Å; S233-H235 VanDerWaalsContact CB-ND1 3.3Å; S233-H235 WeakPolarHBondContact CB-ND1 3.25Å; S233-H235 PolarHBondContact O-N 2.99Å; S233-H235 PolarHBondContact O-ND1 3.04Å; S233-H235 PolarHBondContact OG-ND1 2.81Å
236	G	64.8	Low	87.4	Confident	5 Å²	5	21.8 Å²	21.8	5%	0.052	11%	0.109	C	C	.	.			trans	73.7	151.9	-164	0	0	0	0	0	112	T217 R234	T217-G236 WeakPolarHBondContact O-CA 3.36Å; R234-G236 PolarHBondContact O-N 2.74Å
237	H	67.4	Low	87.7	Confident	7 Å²	7	21.1 Å²	21.1	3%	0.032	11%	0.106	C	C	.	.	B	Isolated β-bridge	trans	-140.2	154	175.1	51.5	-83.5	0	0	0	111.9	R182 T217 S219 E230 V231 A241	R182-H237 WeakPolarHBondContact CD-NE2 3.46Å; R182-H237 PolarHBondContact NE-NE2 3.08Å; R182-H237 PolarHBondContact NH1-NE2 2.8Å; T217-H237 WeakPolarHBondContact CG2-O 3.44Å; T217-H237 PolarHBondContact N-O 2.95Å; T217-H237 PolarHBondContact O-N 2.84Å; T217-H237 PolarHBondContact O-ND1 2.84Å; S219-H237 PolarHBondContact N-CE1 2.88Å; S219-H237 PolarHBondContact O-CE1 3.2Å; E230-H237 HydrophobicContact CG-CB 4.02Å; V231-H237 HydrophobicContact CG2-CB 3.91Å; H237-A241 HydrophobicContact CB-CB 4.12Å
238	G	82.6	Confident	88	Confident	14 Å²	14	20.7 Å²	20.7	14%	0.144	10%	0.104	C	C	.	.			trans	-119.9	-152.7	170.8	0	0	0	0	0	110.9	V180 A240 A241	V180-G238 WeakPolarHBondContact CG1-O 3.37Å; G238-A240 PolarHBondContact O-N 2.94Å; G238-A241 PolarHBondContact O-N 3.4Å
239	T	90.4	Very high	88.2	Confident	12 Å²	12	20.7 Å²	20.7	7%	0.074	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-31.4	-177.9	58.5	0	0	0	0	112.6	H175 V180 E211 A241 D242	H175-T239 HydrophobicContact CB-CG2 3.84Å; V180-T239 HydrophobicContact CG2-CG2 4.24Å; E211-T239 PolarHBondContact OE1-N 3.12Å; E211-T239 PolarHBondContact OE1-OG1 3.2Å; E211-T239 VanDerWaalsContact OE1-OG1 3.08Å; T239-A241 PolarHBondContact O-N 2.91Å; T239-D242 WeakPolarHBondContact O-CB 3.47Å; T239-D242 PolarHBondContact O-N 2.84Å
240	A	92.7	Very high	88.4	Confident	3 Å²	3	20.2 Å²	20.2	3%	0.025	10%	0.101	C	C	.	.	H	α-helix	trans	-51.3	-26.3	178.2	0	0	0	0	0	115.3	G238 D242 W243 W244 P299 R302 Y305	G238-A240 PolarHBondContact O-N 2.94Å; A240-D242 VanDerWaalsContact C-N 3.32Å; A240-W243 PolarHBondContact O-N 2.98Å; A240-W244 PolarHBondContact O-N 3.18Å; A240-P299 HydrophobicContact CB-CB 4Å; A240-R302 PolarHBondContact O-NH1 3.15Å; A240-Y305 HydrophobicContact CB-CD2 3.98Å
241	A	93	Very high	88.7	Confident	4 Å²	4	20.2 Å²	20.2	3%	0.033	10%	0.1	C	C	.	.	H	α-helix	trans	-69.2	-28.6	177.4	0	0	0	0	0	113.1	A228 V231 H237 G238 T239 W244 S245	A228-A241 HydrophobicContact CB-CB 4.04Å; V231-A241 HydrophobicContact CG2-CB 3.82Å; H237-A241 HydrophobicContact CB-CB 4.12Å; G238-A241 PolarHBondContact O-N 3.4Å; T239-A241 PolarHBondContact O-N 2.91Å; A241-W244 PolarHBondContact O-N 2.75Å; A241-S245 PolarHBondContact O-N 2.91Å; A241-S245 PolarHBondContact O-OG 3.25Å
242	D	95.2	Very high	88.9	Confident	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-69.8	-37.9	175.2	-66.6	-24.3	0	0	0	110.6	L171 H175 V180 Y181 R182 T239 A240 W244 S245 F246	L171-D242 HydrophobicContact CD1-CB 4.31Å; L171-D242 HydrophobicContact CD2-CB 4.07Å; H175-D242 IonicContact CD2-OD2 2.84Å; H175-D242 IonicContact CE1-OD2 2.7Å; H175-D242 IonicContact NE2-OD2 3.03Å; H175-D242 PolarHBondContact NE2-OD2 2.96Å; V180-D242 WeakPolarHBondContact CG1-OD2 3.4Å; Y181-D242 PolarHBondContact N-OD1 3.14Å; Y181-D242 PolarHBondContact N-OD2 3.37Å; R182-D242 WeakPolarHBondContact CA-OD1 3.37Å; R182-D242 PolarHBondContact N-OD1 3.49Å; T239-D242 WeakPolarHBondContact O-CB 3.47Å; T239-D242 PolarHBondContact O-N 2.84Å; A240-D242 VanDerWaalsContact C-N 3.32Å; D242-W244 VanDerWaalsContact C-N 3.31Å; D242-W244 PolarHBondContact O-N 3.45Å; D242-S245 CarbonylContact O-C 3.57Å; D242-S245 WeakPolarHBondContact O-CA 3.45Å; D242-S245 WeakPolarHBondContact O-CB 3.36Å; D242-S245 PolarHBondContact O-N 3.44Å; D242-S245 VanDerWaalsContact O-N 3.07Å; D242-F246 WeakPolarHBondContact O-CB 3.43Å; D242-F246 PolarHBondContact O-N 3.33Å
243	W	97.1	Very high	89.3	Confident	2 Å²	2	19.9 Å²	19.9	1%	0.008	10%	0.097	C	C	.	.	H	α-helix	trans	-67	-27.6	176.2	-60.1	121.7	0	0	0	113.7	A168 L171 H175 A240 F246 G247 L294 G304 F310 L313	A168-W243 HydrophobicContact CB-CH2 4.17Å; A168-W243 HydrophobicContact CB-CZ3 4.03Å; L171-W243 HydrophobicContact CB-CH2 4.01Å; L171-W243 HydrophobicContact CB-CZ2 4.37Å; L171-W243 HydrophobicContact CB-CZ3 4.41Å; L171-W243 HydrophobicContact CD1-CE3 4.13Å; L171-W243 HydrophobicContact CD1-CH2 4.31Å; L171-W243 HydrophobicContact CD1-CZ3 3.89Å; H175-W243 AromaticContact CE1-CE2 3.79Å; H175-W243 AromaticContact CE1-NE1 3.58Å; H175-W243 AromaticContact ND1-CE2 3.88Å; H175-W243 AromaticContact ND1-CZ2 3.84Å; H175-W243 AromaticContact ND1-NE1 3.6Å; A240-W243 PolarHBondContact O-N 2.98Å; W243-F246 HydrophobicContact CE3-CB 4.3Å; W243-F246 HydrophobicContact CE3-CD1 4.36Å; W243-F246 HydrophobicContact CE3-CD2 4.37Å; W243-F246 HydrophobicContact CE3-CG 4.13Å; W243-F246 HydrophobicContact CZ3-CD2 4.23Å; W243-F246 HydrophobicContact CZ3-CE2 4.28Å; W243-F246 HydrophobicContact CZ3-CG 4.42Å; W243-G247 PolarHBondContact O-N 3.42Å; W243-G247 VanDerWaalsContact O-N 3.15Å; W243-L294 HydrophobicContact CB-CD2 4.4Å; W243-G304 VanDerWaalsContact CD1-C 3.45Å; W243-G304 VanDerWaalsContact CD1-CA 3.46Å; W243-G304 PolarHBondContact NE1-O 3.48Å; W243-F310 AromaticContact CH2-CD2 3.92Å; W243-F310 HydrophobicContact CH2-CD2 3.92Å; W243-F310 HydrophobicContact CH2-CE2 4.49Å; W243-F310 HydrophobicContact CZ2-CD2 4.28Å; W243-L313 HydrophobicContact CD2-CD1 4.3Å; W243-L313 HydrophobicContact CE3-CD1 3.57Å; W243-L313 HydrophobicContact CH2-CD1 4.27Å; W243-L313 HydrophobicContact CZ3-CD1 3.57Å; W243-L313 HydrophobicContact CZ3-CD2 4.44Å
244	W	97.1	Very high	89.5	Confident	0 Å²	0	18 Å²	18	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-68.5	-46.5	166.8	175.7	-78.4	0	0	0	111.3	Y226 M227 A228 P229 A240 A241 D242 F246 G247 V248 F260 I272 F295 R297	Y226-W244 VanDerWaalsContact O-CD1 3.31Å; M227-W244 PolarHBondContact O-NE1 3.39Å; A228-W244 VanDerWaalsContact CA-CD1 3.46Å; A228-W244 HydrophobicContact CB-CB 3.63Å; A228-W244 HydrophobicContact CB-CD2 4.3Å; A228-W244 HydrophobicContact CB-CG 3.67Å; P229-W244 HydrophobicContact CG-CD2 4.43Å; P229-W244 HydrophobicContact CG-CE3 4.07Å; P229-W244 HydrophobicContact CG-CH2 3.56Å; P229-W244 HydrophobicContact CG-CZ2 3.96Å; P229-W244 HydrophobicContact CG-CZ3 3.62Å; A240-W244 PolarHBondContact O-N 3.18Å; A241-W244 PolarHBondContact O-N 2.75Å; D242-W244 VanDerWaalsContact C-N 3.31Å; D242-W244 PolarHBondContact O-N 3.45Å; W244-F246 PolarHBondContact O-N 2.8Å; W244-G247 WeakPolarHBondContact O-CA 3.49Å; W244-G247 PolarHBondContact O-N 3.38Å; W244-V248 PolarHBondContact O-N 3.39Å; W244-F260 AromaticContact CH2-CE2 3.85Å; W244-F260 HydrophobicContact CH2-CE2 3.85Å; W244-F260 AromaticContact CZ2-CD2 3.94Å; W244-F260 HydrophobicContact CZ2-CD2 3.94Å; W244-F260 AromaticContact CZ2-CE2 3.64Å; W244-F260 HydrophobicContact CZ2-CE2 3.64Å; W244-I272 HydrophobicContact CZ2-CG2 4.01Å; W244-F295 AromaticContact CD2-CD1 4Å; W244-F295 HydrophobicContact CD2-CD1 4Å; W244-F295 HydrophobicContact CD2-CE1 4.32Å; W244-F295 AromaticContact CE2-CD1 3.94Å; W244-F295 AromaticContact CE3-CD1 3.92Å; W244-F295 HydrophobicContact CE3-CD1 3.92Å; W244-F295 AromaticContact CH2-CD1 3.79Å; W244-F295 HydrophobicContact CH2-CD1 3.79Å; W244-F295 AromaticContact CZ2-CD1 3.85Å; W244-F295 HydrophobicContact CZ2-CD1 3.85Å; W244-F295 HydrophobicContact CZ2-CE1 4.18Å; W244-F295 HydrophobicContact CZ3-CB 4.28Å; W244-F295 AromaticContact CZ3-CD1 3.83Å; W244-F295 HydrophobicContact CZ3-CD1 3.83Å; W244-R297 HydrophobicContact CH2-CG 4.46Å; W244-R297 HydrophobicContact CZ3-CG 4.29Å
245	S	96.8	Very high	89.7	Confident	5 Å²	5	10.2 Å²	10.2	4%	0.035	6%	0.055	C	C	.	.	H	α-helix	trans	-59.7	-36.5	178.1	-48.4	0	0	0	0	111.5	Y226 A241 D242 V248 L249	Y226-S245 PolarHBondContact O-OG 2.98Å; A241-S245 PolarHBondContact O-N 2.91Å; A241-S245 PolarHBondContact O-OG 3.25Å; D242-S245 CarbonylContact O-C 3.57Å; D242-S245 WeakPolarHBondContact O-CA 3.45Å; D242-S245 WeakPolarHBondContact O-CB 3.36Å; D242-S245 PolarHBondContact O-N 3.44Å; D242-S245 VanDerWaalsContact O-N 3.07Å; S245-V248 PolarHBondContact O-N 3.07Å; S245-L249 PolarHBondContact O-N 3.29Å
246	F	98.2	Very high	90.5	Very high	0 Å²	0	5.6 Å²	5.6	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-62.6	-40.7	172.2	-176.1	-88.3	0	0	0	112.2	L164 I167 A168 L171 L184 D242 W243 W244 L249 M250 L294 L313 F319	L164-F246 HydrophobicContact CB-CE1 4.33Å; L164-F246 HydrophobicContact CB-CE2 4.07Å; L164-F246 HydrophobicContact CB-CZ 3.62Å; L164-F246 HydrophobicContact CD1-CE1 4.32Å; L164-F246 HydrophobicContact CD1-CZ 4.4Å; L164-F246 HydrophobicContact CD2-CD1 4.46Å; L164-F246 HydrophobicContact CD2-CD2 4.09Å; L164-F246 HydrophobicContact CD2-CE1 4.18Å; L164-F246 HydrophobicContact CD2-CE2 3.79Å; L164-F246 HydrophobicContact CD2-CG 4.43Å; L164-F246 HydrophobicContact CD2-CZ 3.86Å; L164-F246 HydrophobicContact CG-CE2 4.48Å; L164-F246 HydrophobicContact CG-CZ 4.16Å; L164-F246 VanDerWaalsContact O-CE2 3.24Å; L164-F246 WeakPolarHBondContact O-CE2 3.21Å; L164-F246 WeakPolarHBondContact O-CZ 3.46Å; I167-F246 HydrophobicContact CB-CE2 4.29Å; I167-F246 HydrophobicContact CG2-CD2 3.91Å; I167-F246 HydrophobicContact CG2-CE2 4.04Å; A168-F246 HydrophobicContact CB-CE2 3.83Å; A168-F246 HydrophobicContact CB-CZ 3.94Å; L171-F246 HydrophobicContact CD1-CB 4.45Å; L171-F246 HydrophobicContact CD1-CD2 3.92Å; L184-F246 HydrophobicContact CD2-CB 3.97Å; L184-F246 HydrophobicContact CD2-CD2 4.25Å; D242-F246 WeakPolarHBondContact O-CB 3.43Å; D242-F246 PolarHBondContact O-N 3.33Å; W243-F246 HydrophobicContact CE3-CB 4.3Å; W243-F246 HydrophobicContact CE3-CD1 4.36Å; W243-F246 HydrophobicContact CE3-CD2 4.37Å; W243-F246 HydrophobicContact CE3-CG 4.13Å; W243-F246 HydrophobicContact CZ3-CD2 4.23Å; W243-F246 HydrophobicContact CZ3-CE2 4.28Å; W243-F246 HydrophobicContact CZ3-CG 4.42Å; W244-F246 PolarHBondContact O-N 2.8Å; F246-L249 PolarHBondContact O-N 2.92Å; F246-M250 WeakPolarHBondContact O-CB 3.47Å; F246-M250 PolarHBondContact O-N 2.93Å; F246-L294 HydrophobicContact CD1-CD1 3.84Å; F246-L294 HydrophobicContact CD1-CD2 4.24Å; F246-L294 HydrophobicContact CE1-CD1 4.23Å; F246-L313 HydrophobicContact CE1-CD1 4.22Å; F246-F319 HydrophobicContact CE1-CZ 4.38Å; F246-F319 HydrophobicContact CZ-CZ 4.16Å
247	G	98.2	Very high	91.4	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-65	-36.8	171	0	0	0	0	0	113.7	W243 W244 Y251 F295	W243-G247 PolarHBondContact O-N 3.42Å; W243-G247 VanDerWaalsContact O-N 3.15Å; W244-G247 WeakPolarHBondContact O-CA 3.49Å; W244-G247 PolarHBondContact O-N 3.38Å; G247-Y251 WeakPolarHBondContact O-CB 3.23Å; G247-Y251 PolarHBondContact O-N 3.2Å; G247-F295 VanDerWaalsContact O-CZ 3.25Å; G247-F295 WeakPolarHBondContact O-CZ 3.4Å
248	V	97.8	Very high	92.5	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-65.1	-46.4	173.3	179.7	0	0	0	0	110.6	Y226 W244 S245 Y251 E252 L258 P259 F295	Y226-V248 HydrophobicContact CD1-CB 3.77Å; Y226-V248 HydrophobicContact CD1-CG1 3.34Å; Y226-V248 HydrophobicContact CE1-CB 4.38Å; Y226-V248 HydrophobicContact CE1-CG1 3.63Å; Y226-V248 HydrophobicContact CG-CB 4.44Å; Y226-V248 HydrophobicContact CG-CG1 3.92Å; W244-V248 PolarHBondContact O-N 3.39Å; S245-V248 PolarHBondContact O-N 3.07Å; V248-Y251 PolarHBondContact O-N 2.97Å; V248-E252 WeakPolarHBondContact O-CB 3.26Å; V248-E252 PolarHBondContact O-N 3.02Å; V248-L258 HydrophobicContact CG1-CD2 3.79Å; V248-P259 HydrophobicContact CB-CG 4.43Å; V248-P259 HydrophobicContact CG1-CG 4.12Å; V248-P259 HydrophobicContact CG2-CG 4.13Å; V248-F295 HydrophobicContact CG2-CE1 3.69Å; V248-F295 HydrophobicContact CG2-CZ 4.04Å
249	L	97.5	Very high	92.9	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-58.6	-49.5	174.7	179.1	63.3	0	0	0	111.5	L164 I167 L184 P186 V189 S245 F246 Y251 E252 L253	L164-L249 HydrophobicContact CD2-CD2 4.25Å; L164-L249 HydrophobicContact CD2-CG 4.41Å; I167-L249 HydrophobicContact CD1-CD2 3.62Å; L184-L249 HydrophobicContact CD1-CD2 4.05Å; L184-L249 HydrophobicContact CD2-CD2 4.16Å; L184-L249 HydrophobicContact CG-CD2 4.02Å; P186-L249 HydrophobicContact CB-CD1 4.32Å; P186-L249 HydrophobicContact CG-CD1 3.62Å; V189-L249 HydrophobicContact CG2-CD2 4.39Å; S245-L249 PolarHBondContact O-N 3.29Å; F246-L249 PolarHBondContact O-N 2.92Å; L249-Y251 VanDerWaalsContact C-N 3.35Å; L249-Y251 PolarHBondContact O-N 3.39Å; L249-E252 PolarHBondContact O-N 3.31Å; L249-L253 HydrophobicContact CD1-CD1 4.03Å; L249-L253 HydrophobicContact CD1-CD2 4.22Å; L249-L253 HydrophobicContact CD1-CG 3.95Å; L249-L253 HydrophobicContact CG-CD1 4.06Å; L249-L253 HydrophobicContact CG-CG 4.32Å; L249-L253 VanDerWaalsContact O-CG 3.32Å; L249-L253 WeakPolarHBondContact O-CG 3.26Å; L249-L253 PolarHBondContact O-N 3.09Å
250	M	98.2	Very high	93	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-53.4	-50.9	175.9	178.9	179.5	-178.3	0	0	111.8	V160 L164 F246 E252 L253 L254 A287 L290 L291 L294 F318	V160-M250 HydrophobicContact CG1-CG 4.26Å; L164-M250 HydrophobicContact CD1-CB 3.54Å; L164-M250 HydrophobicContact CD1-CG 3.53Å; L164-M250 HydrophobicContact CD1-SD 4.04Å; L164-M250 HydrophobicContact CD2-CB 4.4Å; F246-M250 WeakPolarHBondContact O-CB 3.47Å; F246-M250 PolarHBondContact O-N 2.93Å; M250-E252 VanDerWaalsContact C-N 3.31Å; M250-E252 PolarHBondContact O-N 3.44Å; M250-L253 PolarHBondContact O-N 2.83Å; M250-L254 HydrophobicContact CE-CD1 3.63Å; M250-L254 HydrophobicContact CG-CD1 3.72Å; M250-L254 WeakPolarHBondContact O-CB 3.22Å; M250-L254 VanDerWaalsContact O-CG 3.24Å; M250-L254 WeakPolarHBondContact O-CG 3.24Å; M250-L254 PolarHBondContact O-N 3.11Å; M250-L254 VanDerWaalsContact O-N 3.08Å; M250-A287 HydrophobicContact CE-CB 4.02Å; M250-L290 HydrophobicContact CE-CB 4.09Å; M250-L290 HydrophobicContact CE-CD2 3.84Å; M250-L290 HydrophobicContact CE-CG 4.17Å; M250-L290 HydrophobicContact SD-CB 4.22Å; M250-L290 HydrophobicContact SD-CD2 3.62Å; M250-L290 HydrophobicContact SD-CG 3.76Å; M250-L291 HydrophobicContact CB-CD2 4.08Å; M250-L291 HydrophobicContact CE-CD2 4.37Å; M250-L291 HydrophobicContact CE-CG 3.99Å; M250-L291 HydrophobicContact CG-CD2 3.76Å; M250-L291 HydrophobicContact CG-CG 4.38Å; M250-L291 HydrophobicContact SD-CD2 3.65Å; M250-L291 HydrophobicContact SD-CG 3.84Å; M250-L294 HydrophobicContact SD-CD1 4.26Å; M250-F318 HydrophobicContact CE-CD1 4.28Å; M250-F318 HydrophobicContact CE-CD2 4.31Å; M250-F318 HydrophobicContact CE-CE1 3.99Å; M250-F318 HydrophobicContact CE-CE2 4.05Å; M250-F318 HydrophobicContact CE-CG 4.42Å; M250-F318 HydrophobicContact CE-CZ 3.88Å
251	Y	96.6	Very high	92.7	Very high	13 Å²	13	14.4 Å²	14.4	5%	0.051	8%	0.079	C	C	.	.	H	α-helix	trans	-62	-40.9	-179.3	-173.2	-78.2	0	0	0	111.6	G247 V248 L249 T255 M257 P259 L277 S278 P280 L291 F295	G247-Y251 WeakPolarHBondContact O-CB 3.23Å; G247-Y251 PolarHBondContact O-N 3.2Å; V248-Y251 PolarHBondContact O-N 2.97Å; L249-Y251 VanDerWaalsContact C-N 3.35Å; L249-Y251 PolarHBondContact O-N 3.39Å; Y251-T255 HydrophobicContact CD1-CG2 4.3Å; Y251-T255 WeakPolarHBondContact CD1-OG1 3.45Å; Y251-T255 HydrophobicContact CE1-CG2 4.08Å; Y251-T255 WeakPolarHBondContact CE1-OG1 3.33Å; Y251-T255 WeakPolarHBondContact O-CB 3.37Å; Y251-T255 VanDerWaalsContact O-CG2 3.29Å; Y251-T255 WeakPolarHBondContact O-CG2 3.37Å; Y251-T255 PolarHBondContact O-N 3.46Å; Y251-T255 VanDerWaalsContact O-N 3.13Å; Y251-T255 PolarHBondContact O-OG1 2.88Å; Y251-M257 WeakPolarHBondContact CD1-O 3.41Å; Y251-M257 WeakPolarHBondContact CE1-O 3.16Å; Y251-P259 HydrophobicContact CD1-CB 3.7Å; Y251-P259 HydrophobicContact CD1-CG 4.12Å; Y251-P259 HydrophobicContact CD2-CB 4.01Å; Y251-P259 HydrophobicContact CE1-CB 3.96Å; Y251-P259 HydrophobicContact CE2-CB 4.22Å; Y251-P259 HydrophobicContact CG-CB 3.75Å; Y251-P259 HydrophobicContact CG-CG 4.19Å; Y251-L277 HydrophobicContact CD2-CD1 4.12Å; Y251-L277 HydrophobicContact CE2-CD1 3.98Å; Y251-S278 WeakPolarHBondContact CE2-O 3.23Å; Y251-S278 PolarHBondContact OH-O 3.3Å; Y251-P280 HydrophobicContact CE2-CG 4.18Å; Y251-L291 HydrophobicContact CD2-CD1 4.27Å; Y251-L291 HydrophobicContact CD2-CD2 4.39Å; Y251-F295 HydrophobicContact CD2-CE2 4.43Å
252	E	94.2	Very high	92.2	Very high	17 Å²	17	15.4 Å²	15.4	8%	0.079	9%	0.086	C	C	.	.	H	α-helix	trans	-68.3	-45.3	-179.8	-175	178.1	-147.1	0	0	112.4	L149 P186 Y226 V248 L249 M250 L254 T255 G256 M257	L149-E252 HydrophobicContact CD2-CG 3.89Å; P186-E252 WeakPolarHBondContact CD-OE2 3.5Å; P186-E252 WeakPolarHBondContact CG-OE2 3.45Å; Y226-E252 WeakPolarHBondContact CE1-OE2 3.5Å; Y226-E252 VanDerWaalsContact OH-CD 3.22Å; Y226-E252 PolarHBondContact OH-OE1 2.84Å; Y226-E252 PolarHBondContact OH-OE2 2.89Å; V248-E252 WeakPolarHBondContact O-CB 3.26Å; V248-E252 PolarHBondContact O-N 3.02Å; L249-E252 PolarHBondContact O-N 3.31Å; M250-E252 VanDerWaalsContact C-N 3.31Å; M250-E252 PolarHBondContact O-N 3.44Å; E252-L254 VanDerWaalsContact C-N 3.3Å; E252-L254 PolarHBondContact O-N 3.48Å; E252-T255 PolarHBondContact O-N 3.48Å; E252-G256 WeakPolarHBondContact O-CA 3.46Å; E252-G256 PolarHBondContact O-N 2.99Å; E252-M257 WeakPolarHBondContact CA-O 3.49Å
253	L	93.1	Very high	91.3	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-62.9	-37.3	177	-61.8	179.9	0	0	0	112	L145 L149 M154 F155 V160 L249 M250	L145-L253 HydrophobicContact CD2-CD1 3.9Å; L145-L253 HydrophobicContact CD2-CD2 3.92Å; L145-L253 HydrophobicContact CG-CD2 4.28Å; L149-L253 HydrophobicContact CD1-CD2 4.21Å; L149-L253 HydrophobicContact CD2-CD2 4.24Å; M154-L253 WeakPolarHBondContact CA-O 3.2Å; F155-L253 HydrophobicContact CD2-CB 4.14Å; F155-L253 HydrophobicContact CD2-CD1 4.33Å; F155-L253 HydrophobicContact CD2-CD2 3.91Å; F155-L253 HydrophobicContact CD2-CG 4.34Å; F155-L253 HydrophobicContact CE2-CD2 3.67Å; F155-L253 HydrophobicContact CZ-CD2 4.48Å; F155-L253 PolarHBondContact N-O 2.98Å; V160-L253 HydrophobicContact CG2-CB 3.56Å; V160-L253 HydrophobicContact CG2-CD1 4.39Å; L249-L253 HydrophobicContact CD1-CD1 4.03Å; L249-L253 HydrophobicContact CD1-CD2 4.22Å; L249-L253 HydrophobicContact CD1-CG 3.95Å; L249-L253 HydrophobicContact CG-CD1 4.06Å; L249-L253 HydrophobicContact CG-CG 4.32Å; L249-L253 VanDerWaalsContact O-CG 3.32Å; L249-L253 WeakPolarHBondContact O-CG 3.26Å; L249-L253 PolarHBondContact O-N 3.09Å; M250-L253 PolarHBondContact O-N 2.83Å
254	L	89.3	Confident	90.5	Very high	3 Å²	3	23.9 Å²	23.9	2%	0.016	13%	0.13	C	C	.	.	H	α-helix	trans	-78.1	-15.1	179.7	-71.5	174.1	0	0	0	115.1	E157 V160 M250 E252 L283 A287	E157-L254 HydrophobicContact CB-CD2 4.46Å; E157-L254 HydrophobicContact CG-CD2 3.79Å; V160-L254 HydrophobicContact CB-CD2 3.86Å; V160-L254 HydrophobicContact CB-CG 4.27Å; V160-L254 HydrophobicContact CG1-CD1 4.43Å; V160-L254 HydrophobicContact CG1-CD2 4.1Å; V160-L254 HydrophobicContact CG1-CG 4Å; V160-L254 HydrophobicContact CG2-CD2 3.69Å; V160-L254 HydrophobicContact CG2-CG 4.01Å; M250-L254 HydrophobicContact CE-CD1 3.63Å; M250-L254 HydrophobicContact CG-CD1 3.72Å; M250-L254 WeakPolarHBondContact O-CB 3.22Å; M250-L254 VanDerWaalsContact O-CG 3.24Å; M250-L254 WeakPolarHBondContact O-CG 3.24Å; M250-L254 PolarHBondContact O-N 3.11Å; M250-L254 VanDerWaalsContact O-N 3.08Å; E252-L254 VanDerWaalsContact C-N 3.3Å; E252-L254 PolarHBondContact O-N 3.48Å; L254-L283 HydrophobicContact CB-CD2 3.94Å; L254-L283 HydrophobicContact CD1-CD1 4.28Å; L254-L283 HydrophobicContact CD1-CD2 4.16Å; L254-L283 HydrophobicContact CD2-CD2 4.33Å; L254-L283 HydrophobicContact CG-CD2 4.38Å; L254-A287 HydrophobicContact CD1-CB 4.46Å
255	T	79.9	Confident	89.6	Confident	5 Å²	5	28.1 Å²	28.1	3%	0.031	15%	0.146	C	C	.	.	H	α-helix	trans	-133.7	-11.3	-170.5	70.4	0	0	0	0	115.2	Y251 E252 M257 P280 F282	Y251-T255 HydrophobicContact CD1-CG2 4.3Å; Y251-T255 WeakPolarHBondContact CD1-OG1 3.45Å; Y251-T255 HydrophobicContact CE1-CG2 4.08Å; Y251-T255 WeakPolarHBondContact CE1-OG1 3.33Å; Y251-T255 WeakPolarHBondContact O-CB 3.37Å; Y251-T255 VanDerWaalsContact O-CG2 3.29Å; Y251-T255 WeakPolarHBondContact O-CG2 3.37Å; Y251-T255 PolarHBondContact O-N 3.46Å; Y251-T255 VanDerWaalsContact O-N 3.13Å; Y251-T255 PolarHBondContact O-OG1 2.88Å; E252-T255 PolarHBondContact O-N 3.48Å; T255-M257 PolarHBondContact O-N 3.4Å; T255-M257 PolarHBondContact OG1-N 2.54Å; T255-M257 PolarHBondContact OG1-O 3.2Å; T255-M257 VanDerWaalsContact OG1-O 3.11Å; T255-P280 HydrophobicContact CG2-CG 3.71Å; T255-F282 HydrophobicContact CG2-CZ 4.05Å
256	G	79.7	Confident	89.1	Confident	27 Å²	27	35 Å²	35	28%	0.278	18%	0.175	S	C	.	.	S	Bend	trans	67.2	10.1	-170.3	0	0	0	0	0	114.2	Y153 E252	Y153-G256 WeakPolarHBondContact O-CA 3.43Å; E252-G256 WeakPolarHBondContact O-CA 3.46Å; E252-G256 PolarHBondContact O-N 2.99Å
257	M	83.8	Confident	88.7	Confident	90 Å²	90	38.8 Å²	38.8	44%	0.443	20%	0.195	S	C	.	.	S	Bend	trans	-137.1	151.3	-173.2	-63.4	-171.3	-65.8	0	0	111.9	Y251 E252 T255	Y251-M257 WeakPolarHBondContact CD1-O 3.41Å; Y251-M257 WeakPolarHBondContact CE1-O 3.16Å; E252-M257 WeakPolarHBondContact CA-O 3.49Å; T255-M257 PolarHBondContact O-N 3.4Å; T255-M257 PolarHBondContact OG1-N 2.54Å; T255-M257 PolarHBondContact OG1-O 3.2Å; T255-M257 VanDerWaalsContact OG1-O 3.11Å
258	L	90.2	Very high	88.3	Confident	44 Å²	44	38.8 Å²	38.8	23%	0.23	20%	0.196	C	C	.	.			trans	-79.2	142	172.2	-71.1	163.8	0	0	0	111.4	E225 Y226 V248 F260 H261	E225-L258 HydrophobicContact CB-CD1 3.9Å; E225-L258 HydrophobicContact CB-CD2 4.39Å; E225-L258 HydrophobicContact CG-CD1 3.91Å; Y226-L258 HydrophobicContact CE1-CD2 4.27Å; Y226-L258 HydrophobicContact CE2-CD2 4.23Å; V248-L258 HydrophobicContact CG1-CD2 3.79Å; L258-F260 VanDerWaalsContact C-N 3.34Å; L258-F260 PolarHBondContact O-N 3.38Å; L258-H261 HydrophobicContact CB-CB 3.89Å; L258-H261 HydrophobicContact CD1-CB 4.3Å
259	P	91.7	Very high	87.9	Confident	14 Å²	14	40.7 Å²	40.7	9%	0.091	21%	0.205	C	C	.	.	S	Bend	trans	-69.5	-29.5	-178.3	27.6	-34.6	0	0	0	113.3	V248 Y251 L277 F295	V248-P259 HydrophobicContact CB-CG 4.43Å; V248-P259 HydrophobicContact CG1-CG 4.12Å; V248-P259 HydrophobicContact CG2-CG 4.13Å; Y251-P259 HydrophobicContact CD1-CB 3.7Å; Y251-P259 HydrophobicContact CD1-CG 4.12Å; Y251-P259 HydrophobicContact CD2-CB 4.01Å; Y251-P259 HydrophobicContact CE1-CB 3.96Å; Y251-P259 HydrophobicContact CE2-CB 4.22Å; Y251-P259 HydrophobicContact CG-CB 3.75Å; Y251-P259 HydrophobicContact CG-CG 4.19Å; P259-L277 HydrophobicContact CB-CD1 3.89Å; P259-F295 HydrophobicContact CB-CE2 4.37Å; P259-F295 HydrophobicContact CB-CZ 4.06Å; P259-F295 HydrophobicContact CG-CE1 4.23Å; P259-F295 HydrophobicContact CG-CE2 4.46Å; P259-F295 HydrophobicContact CG-CZ 3.7Å
260	F	93	Very high	87.8	Confident	2 Å²	2	44.3 Å²	44.3	1%	0.009	22%	0.222	C	C	.	.	S	Bend	trans	-135.9	93.1	179.6	-54.7	-66	0	0	0	109.2	W244 L258 M271 I272 A275 L277 F295	W244-F260 AromaticContact CH2-CE2 3.85Å; W244-F260 HydrophobicContact CH2-CE2 3.85Å; W244-F260 AromaticContact CZ2-CD2 3.94Å; W244-F260 HydrophobicContact CZ2-CD2 3.94Å; W244-F260 AromaticContact CZ2-CE2 3.64Å; W244-F260 HydrophobicContact CZ2-CE2 3.64Å; L258-F260 VanDerWaalsContact C-N 3.34Å; L258-F260 PolarHBondContact O-N 3.38Å; F260-M271 HydrophobicContact CB-CB 4.13Å; F260-M271 HydrophobicContact CD1-CB 4.41Å; F260-I272 HydrophobicContact CB-CG1 3.82Å; F260-I272 HydrophobicContact CD2-CG1 4.39Å; F260-I272 HydrophobicContact CG-CG1 4.34Å; F260-A275 HydrophobicContact CD1-CB 4.05Å; F260-A275 HydrophobicContact CE1-CB 4.15Å; F260-L277 HydrophobicContact CZ-CB 4.27Å; F260-L277 HydrophobicContact CZ-CD1 4.19Å; F260-F295 AromaticContact CE2-CD1 3.97Å; F260-F295 HydrophobicContact CE2-CD1 3.97Å; F260-F295 HydrophobicContact CE2-CE1 4.09Å
261	H	86.6	Confident	87.6	Confident	76 Å²	76	47.3 Å²	47.3	35%	0.352	24%	0.236	S	C	.	.			trans	-140.5	145.9	178.9	-177.4	79.5	0	0	0	111.8	L258 M271	L258-H261 HydrophobicContact CB-CB 3.89Å; L258-H261 HydrophobicContact CD1-CB 4.3Å; H261-M271 WeakPolarHBondContact O-CE 3.24Å; H261-M271 VanDerWaalsContact O-SD 3.41Å
262	S	81.4	Confident	87.4	Confident	26 Å²	26	46.7 Å²	46.7	18%	0.182	23%	0.234	C	C	.	.			trans	-150.9	167.3	171.2	72.3	0	0	0	0	109.1	S264 D267 T268	S262-S264 PolarHBondContact O-N 3.15Å; S262-S264 PolarHBondContact OG-N 2.88Å; S262-S264 PolarHBondContact OG-O 3.17Å; S262-D267 WeakPolarHBondContact OG-CB 3.34Å; S262-T268 PolarHBondContact N-OG1 2.85Å; S262-T268 PolarHBondContact O-OG1 2.63Å; S262-T268 PolarHBondContact OG-N 2.92Å; S262-T268 PolarHBondContact OG-OG1 3.1Å
263	E	76.3	Confident	87.4	Confident	141 Å²	141	48.3 Å²	48.3	66%	0.659	24%	0.243	S	C	*	.	S	Bend	trans	-58.5	-37.3	176.9	-57.5	-169.7	175.2	0	0	112.4	T782 R786	E263-T782 HydrophobicContact CG-CG2 4.33Å; E263-R786 PolarHBondContact O-NH1 3.03Å; E263-R786 PolarHBondContact O-NH2 3.42Å
264	S	80.1	Confident	87.5	Confident	39 Å²	39	55.4 Å²	55.4	27%	0.273	27%	0.274	S	S	.	.	S	Bend	trans	-96.6	131	-173.4	140.1	0	0	0	0	111.4	S262 K266 D267 T268	S262-S264 PolarHBondContact O-N 3.15Å; S262-S264 PolarHBondContact OG-N 2.88Å; S262-S264 PolarHBondContact OG-O 3.17Å; S264-K266 PolarHBondContact O-N 3.38Å; S264-K266 VanDerWaalsContact O-N 3.16Å; S264-K266 PolarHBondContact OG-N 2.87Å; S264-D267 WeakPolarHBondContact CB-OD2 3.26Å; S264-D267 PolarHBondContact O-N 2.88Å; S264-D267 VanDerWaalsContact OG-CG 3.28Å; S264-D267 PolarHBondContact OG-N 3.28Å; S264-D267 PolarHBondContact OG-OD2 3.01Å; S264-T268 PolarHBondContact O-N 3.39Å; S264-T268 PolarHBondContact O-OG1 2.87Å
265	R	78.3	Confident	87.6	Confident	88 Å²	88	56.6 Å²	56.6	33%	0.332	28%	0.284	S	S	.	.	H	α-helix	trans	-55	-37.1	176.4	-170.4	-157.5	-78.8	152.1	-18.1	111.5	M1 V224 M269	M1-R265 PolarHBondContact SD-NE 2.93Å; M1-R265 PolarHBondContact SD-NH2 2.91Å; V224-R265 HydrophobicContact CB-CG 4.42Å; V224-R265 HydrophobicContact CG1-CG 4.12Å; V224-R265 HydrophobicContact CG2-CG 4.03Å; R265-M269 HydrophobicContact CG-CE 4.01Å; R265-M269 HydrophobicContact CG-SD 4.3Å; R265-M269 WeakPolarHBondContact O-CG 3.44Å; R265-M269 PolarHBondContact O-N 3.09Å
266	K	86.4	Confident	88.2	Confident	150 Å²	150	65.7 Å²	65.7	65%	0.652	32%	0.323	S	S	*	.	H	α-helix	trans	-66.5	-39.9	-179.7	-176.3	-173.5	176.4	-171	0	111.3	S264 M269 Q270	S264-K266 PolarHBondContact O-N 3.38Å; S264-K266 VanDerWaalsContact O-N 3.16Å; S264-K266 PolarHBondContact OG-N 2.87Å; K266-M269 WeakPolarHBondContact O-CB 3.25Å; K266-M269 PolarHBondContact O-N 3.28Å; K266-Q270 WeakPolarHBondContact O-CG 3.37Å; K266-Q270 PolarHBondContact O-N 2.86Å
267	D	90.3	Very high	88.9	Confident	79 Å²	79	66.3 Å²	66.3	42%	0.422	32%	0.32	S	S	.	.	H	α-helix	trans	-78.9	-35.9	-177.4	-55.7	-46	0	0	0	110.5	S262 S264 M269 Q270 M271	S262-D267 WeakPolarHBondContact OG-CB 3.34Å; S264-D267 WeakPolarHBondContact CB-OD2 3.26Å; S264-D267 PolarHBondContact O-N 2.88Å; S264-D267 VanDerWaalsContact OG-CG 3.28Å; S264-D267 PolarHBondContact OG-N 3.28Å; S264-D267 PolarHBondContact OG-OD2 3.01Å; D267-M269 VanDerWaalsContact C-N 3.33Å; D267-M269 PolarHBondContact O-N 2.96Å; D267-Q270 CarbonylContact O-C 3.52Å; D267-Q270 WeakPolarHBondContact O-CA 3.15Å; D267-Q270 PolarHBondContact O-N 3.21Å; D267-M271 WeakPolarHBondContact O-CG 3.33Å; D267-M271 PolarHBondContact O-N 2.9Å
268	T	89.4	Confident	89.2	Confident	1 Å²	1	66.1 Å²	66.1	1%	0.006	33%	0.327	C	S	.	.	H	α-helix	trans	-56.8	-44.7	167.6	-61.5	0	0	0	0	111.4	V224 E225 S262 S264 Q270 M271 I272	V224-T268 HydrophobicContact CG1-CG2 4.31Å; E225-T268 HydrophobicContact CG-CG2 4.28Å; S262-T268 PolarHBondContact N-OG1 2.85Å; S262-T268 PolarHBondContact O-OG1 2.63Å; S262-T268 PolarHBondContact OG-N 2.92Å; S262-T268 PolarHBondContact OG-OG1 3.1Å; S264-T268 PolarHBondContact O-N 3.39Å; S264-T268 PolarHBondContact O-OG1 2.87Å; T268-Q270 PolarHBondContact O-N 3.01Å; T268-M271 PolarHBondContact O-N 2.82Å; T268-I272 HydrophobicContact CG2-CD1 4.18Å; T268-I272 WeakPolarHBondContact O-CG1 3.28Å; T268-I272 PolarHBondContact O-N 2.91Å
269	M	90.9	Very high	89.3	Confident	39 Å²	39	65.5 Å²	65.5	19%	0.192	32%	0.324	C	S	.	.	H	α-helix	trans	-60.3	-42.7	172.5	-70.8	161.4	163.1	0	0	112.4	F220 V224 V232 R265 K266 D267 M271 I272 L273	F220-M269 HydrophobicContact CE1-CE 4.39Å; F220-M269 HydrophobicContact CE2-CE 4.18Å; F220-M269 HydrophobicContact CZ-CE 3.51Å; V224-M269 HydrophobicContact CG1-CE 4.13Å; V224-M269 HydrophobicContact CG1-CG 3.77Å; V224-M269 HydrophobicContact CG2-CE 4.24Å; V232-M269 HydrophobicContact CG1-CB 3.87Å; V232-M269 HydrophobicContact CG1-CG 3.97Å; R265-M269 HydrophobicContact CG-CE 4.01Å; R265-M269 HydrophobicContact CG-SD 4.3Å; R265-M269 WeakPolarHBondContact O-CG 3.44Å; R265-M269 PolarHBondContact O-N 3.09Å; K266-M269 WeakPolarHBondContact O-CB 3.25Å; K266-M269 PolarHBondContact O-N 3.28Å; D267-M269 VanDerWaalsContact C-N 3.33Å; D267-M269 PolarHBondContact O-N 2.96Å; M269-M271 VanDerWaalsContact C-N 3.34Å; M269-I272 PolarHBondContact O-N 3.16Å; M269-L273 VanDerWaalsContact O-CG 3.26Å; M269-L273 WeakPolarHBondContact O-CG 3.49Å; M269-L273 PolarHBondContact O-N 3.37Å
270	Q	93.6	Very high	88.9	Confident	77 Å²	77	65.7 Å²	65.7	36%	0.36	33%	0.325	S	S	.	.	H	α-helix	trans	-65.7	-35.7	175.4	-69.6	-62.2	-47.8	0	0	112.2	K266 D267 T268 L273 K274	K266-Q270 WeakPolarHBondContact O-CG 3.37Å; K266-Q270 PolarHBondContact O-N 2.86Å; D267-Q270 CarbonylContact O-C 3.52Å; D267-Q270 WeakPolarHBondContact O-CA 3.15Å; D267-Q270 PolarHBondContact O-N 3.21Å; T268-Q270 PolarHBondContact O-N 3.01Å; Q270-L273 PolarHBondContact O-N 3.1Å; Q270-K274 WeakPolarHBondContact O-CB 3.39Å; Q270-K274 PolarHBondContact O-N 3.4Å
271	M	94	Very high	88.6	Confident	62 Å²	62	73.2 Å²	73.2	31%	0.305	36%	0.36	S	S	.	.	H	α-helix	trans	-64.8	-47.3	175.6	-70.9	176.2	73.7	0	0	111.2	F260 H261 D267 T268 M269 L273 K274 A275 R297	F260-M271 HydrophobicContact CB-CB 4.13Å; F260-M271 HydrophobicContact CD1-CB 4.41Å; H261-M271 WeakPolarHBondContact O-CE 3.24Å; H261-M271 VanDerWaalsContact O-SD 3.41Å; D267-M271 WeakPolarHBondContact O-CG 3.33Å; D267-M271 PolarHBondContact O-N 2.9Å; T268-M271 PolarHBondContact O-N 2.82Å; M269-M271 VanDerWaalsContact C-N 3.34Å; M271-L273 VanDerWaalsContact C-N 3.28Å; M271-L273 PolarHBondContact O-N 2.62Å; M271-K274 PolarHBondContact O-N 2.9Å; M271-A275 HydrophobicContact CB-CB 3.93Å; M271-A275 HydrophobicContact CG-CB 4.22Å; M271-A275 VanDerWaalsContact O-CB 3.25Å; M271-A275 WeakPolarHBondContact O-CB 3.46Å; M271-A275 PolarHBondContact O-N 3.11Å; M271-R297 PolarHBondContact O-NH2 3.31Å; M271-R297 VanDerWaalsContact O-NH2 3.08Å
272	I	93.8	Very high	88.5	Confident	0 Å²	0	73.6 Å²	73.6	0%	0	36%	0.361	C	S	.	.	H	α-helix	trans	-55.8	-45.1	174	-68.3	162.5	0	0	0	110.7	V224 M227 P229 V232 W244 F260 T268 M269 R297	V224-I272 HydrophobicContact CG1-CD1 4.49Å; V224-I272 WeakPolarHBondContact O-CD1 3.22Å; M227-I272 WeakPolarHBondContact O-CG2 3.46Å; P229-I272 HydrophobicContact CG-CG2 4.07Å; V232-I272 HydrophobicContact CG2-CD1 4.31Å; V232-I272 HydrophobicContact CG2-CG2 3.94Å; W244-I272 HydrophobicContact CZ2-CG2 4.01Å; F260-I272 HydrophobicContact CB-CG1 3.82Å; F260-I272 HydrophobicContact CD2-CG1 4.39Å; F260-I272 HydrophobicContact CG-CG1 4.34Å; T268-I272 HydrophobicContact CG2-CD1 4.18Å; T268-I272 WeakPolarHBondContact O-CG1 3.28Å; T268-I272 PolarHBondContact O-N 2.91Å; M269-I272 PolarHBondContact O-N 3.16Å; I272-R297 VanDerWaalsContact O-CZ 3.3Å; I272-R297 PolarHBondContact O-NE 2.62Å; I272-R297 PolarHBondContact O-NH2 3.49Å
273	L	94.1	Very high	88.8	Confident	51 Å²	51	72.7 Å²	72.7	27%	0.267	35%	0.354	S	S	.	.	H	α-helix	trans	-70.4	-32.9	-179.8	-67.8	172.5	0	0	0	114.3	P229 V232 M269 Q270 M271 R297	P229-L273 HydrophobicContact CB-CD2 4.21Å; V232-L273 HydrophobicContact CB-CD2 4.28Å; V232-L273 HydrophobicContact CG1-CD1 4.02Å; V232-L273 HydrophobicContact CG1-CD2 4.14Å; V232-L273 HydrophobicContact CG1-CG 3.95Å; M269-L273 VanDerWaalsContact O-CG 3.26Å; M269-L273 WeakPolarHBondContact O-CG 3.49Å; M269-L273 PolarHBondContact O-N 3.37Å; Q270-L273 PolarHBondContact O-N 3.1Å; M271-L273 VanDerWaalsContact C-N 3.28Å; M271-L273 PolarHBondContact O-N 2.62Å; L273-R297 WeakPolarHBondContact O-CD 3.43Å; L273-R297 PolarHBondContact O-NE 3.08Å; L273-R297 VanDerWaalsContact O-NE 3.09Å
274	K	93.7	Very high	89.7	Confident	150 Å²	150	67.4 Å²	67.4	65%	0.652	33%	0.333	S	S	*	.	H	α-helix	trans	-136.5	-23.8	-164.5	-63.1	173.8	-178.8	162.8	0	117.2	Q270 M271	Q270-K274 WeakPolarHBondContact O-CB 3.39Å; Q270-K274 PolarHBondContact O-N 3.4Å; M271-K274 PolarHBondContact O-N 2.9Å
275	A	93	Very high	90.5	Very high	27 Å²	27	70.3 Å²	70.3	22%	0.223	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-68.2	147.6	-173.5	0	0	0	0	0	112.2	F260 M271 R297	F260-A275 HydrophobicContact CD1-CB 4.05Å; F260-A275 HydrophobicContact CE1-CB 4.15Å; M271-A275 HydrophobicContact CB-CB 3.93Å; M271-A275 HydrophobicContact CG-CB 4.22Å; M271-A275 VanDerWaalsContact O-CB 3.25Å; M271-A275 WeakPolarHBondContact O-CB 3.46Å; M271-A275 PolarHBondContact O-N 3.11Å; A275-R297 VanDerWaalsContact O-CZ 3.22Å; A275-R297 PolarHBondContact O-NH1 3.15Å; A275-R297 PolarHBondContact O-NH2 2.93Å
276	K	92.8	Very high	91.4	Very high	196 Å²	196	67.4 Å²	67.4	85%	0.852	34%	0.343	S	S	*	.	P	Polyproline II helix	trans	-72	138.2	168.9	-66.4	-177.7	178.9	-179.7	0	108.6	S278	K276-S278 PolarHBondContact O-N 3.13Å
277	L	93.4	Very high	91.9	Very high	40 Å²	40	60.2 Å²	60.2	21%	0.209	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-63.9	123	169.3	178.2	68.2	0	0	0	108.3	Y251 P259 F260 M279 F295	Y251-L277 HydrophobicContact CD2-CD1 4.12Å; Y251-L277 HydrophobicContact CE2-CD1 3.98Å; P259-L277 HydrophobicContact CB-CD1 3.89Å; F260-L277 HydrophobicContact CZ-CB 4.27Å; F260-L277 HydrophobicContact CZ-CD1 4.19Å; L277-M279 HydrophobicContact CD2-CE 3.63Å; L277-M279 HydrophobicContact CG-CE 4.5Å; L277-F295 HydrophobicContact CD1-CD2 3.79Å; L277-F295 HydrophobicContact CD1-CE2 3.91Å; L277-F295 HydrophobicContact CD1-CG 4.46Å; L277-F295 HydrophobicContact CD2-CB 4.24Å; L277-F295 HydrophobicContact CD2-CD2 3.55Å; L277-F295 HydrophobicContact CD2-CE2 4.33Å; L277-F295 HydrophobicContact CD2-CG 4.25Å; L277-F295 HydrophobicContact CG-CD2 4.29Å
278	S	90	Very high	92.3	Very high	86 Å²	86	57.8 Å²	57.8	60%	0.601	30%	0.298	S	S	*	.	P	Polyproline II helix	trans	-75.2	121.4	166.6	-170.1	0	0	0	0	107.6	Y251 K276	Y251-S278 WeakPolarHBondContact CE2-O 3.23Å; Y251-S278 PolarHBondContact OH-O 3.3Å; K276-S278 PolarHBondContact O-N 3.13Å
279	M	93.4	Very high	92.7	Very high	32 Å²	32	59.3 Å²	59.3	16%	0.158	31%	0.309	C	S	.	.			trans	-99.2	113.4	179.2	-170.3	59.7	73.6	0	0	110.1	L277 Q281 Q288 L291 R292	L277-M279 HydrophobicContact CD2-CE 3.63Å; L277-M279 HydrophobicContact CG-CE 4.5Å; M279-Q281 PolarHBondContact O-N 2.93Å; M279-Q281 PolarHBondContact O-NE2 3.26Å; M279-Q288 HydrophobicContact CE-CB 4.09Å; M279-Q288 WeakPolarHBondContact CE-O 3.25Å; M279-Q288 HydrophobicContact CG-CB 3.96Å; M279-Q288 HydrophobicContact CG-CG 3.63Å; M279-Q288 HydrophobicContact SD-CB 3.72Å; M279-Q288 HydrophobicContact SD-CG 3.65Å; M279-L291 HydrophobicContact CE-CB 3.82Å; M279-L291 HydrophobicContact CE-CD1 4.45Å; M279-L291 HydrophobicContact SD-CB 4.45Å; M279-L291 HydrophobicContact SD-CD1 4.02Å; M279-R292 HydrophobicContact CE-CG 3.8Å
280	P	82.7	Confident	93.1	Very high	18 Å²	18	57.4 Å²	57.4	12%	0.117	30%	0.3	C	S	.	.			trans	-64.3	128.5	177.9	-11.7	23.8	0	0	0	110.5	Y251 T255 F282 L283	Y251-P280 HydrophobicContact CE2-CG 4.18Å; T255-P280 HydrophobicContact CG2-CG 3.71Å; P280-F282 HydrophobicContact CB-CD1 3.67Å; P280-F282 HydrophobicContact CB-CE1 3.37Å; P280-F282 HydrophobicContact CB-CG 4.4Å; P280-F282 HydrophobicContact CB-CZ 3.87Å; P280-F282 HydrophobicContact CG-CE1 4.31Å; P280-F282 HydrophobicContact CG-CZ 4.46Å; P280-F282 PolarHBondContact O-N 2.89Å; P280-L283 HydrophobicContact CB-CD1 4.34Å; P280-L283 HydrophobicContact CB-CG 4.18Å; P280-L283 HydrophobicContact CG-CD1 3.95Å; P280-L283 HydrophobicContact CG-CG 4.32Å; P280-L283 PolarHBondContact O-N 2.79Å
281	Q	87.2	Confident	93.3	Very high	160 Å²	160	53.8 Å²	53.8	75%	0.748	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-4.7	-175.3	-60.8	-60	-69.6	0	0	113.8	M279	M279-Q281 PolarHBondContact O-N 2.93Å; M279-Q281 PolarHBondContact O-NE2 3.26Å
282	F	83.7	Confident	93.5	Very high	84 Å²	84	56.2 Å²	56.2	37%	0.368	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-20	175.3	65.5	-101	0	0	0	113	T255 P280 E642	T255-F282 HydrophobicContact CG2-CZ 4.05Å; P280-F282 HydrophobicContact CB-CD1 3.67Å; P280-F282 HydrophobicContact CB-CE1 3.37Å; P280-F282 HydrophobicContact CB-CG 4.4Å; P280-F282 HydrophobicContact CB-CZ 3.87Å; P280-F282 HydrophobicContact CG-CE1 4.31Å; P280-F282 HydrophobicContact CG-CZ 4.46Å; P280-F282 PolarHBondContact O-N 2.89Å; F282-E642 HydrophobicContact CB-CB 3.76Å; F282-E642 HydrophobicContact CB-CG 4Å
283	L	88.6	Confident	93.7	Very high	6 Å²	6	57.2 Å²	57.2	3%	0.031	30%	0.297	C	S	.	.	S	Bend	trans	-70.7	144.5	176.6	-60.1	-178.4	0	0	0	110.8	E157 L254 P280 A287 Q288 L291	E157-L283 WeakPolarHBondContact OE1-CA 3.45Å; L254-L283 HydrophobicContact CB-CD2 3.94Å; L254-L283 HydrophobicContact CD1-CD1 4.28Å; L254-L283 HydrophobicContact CD1-CD2 4.16Å; L254-L283 HydrophobicContact CD2-CD2 4.33Å; L254-L283 HydrophobicContact CG-CD2 4.38Å; P280-L283 HydrophobicContact CB-CD1 4.34Å; P280-L283 HydrophobicContact CB-CG 4.18Å; P280-L283 HydrophobicContact CG-CD1 3.95Å; P280-L283 HydrophobicContact CG-CG 4.32Å; P280-L283 PolarHBondContact O-N 2.79Å; L283-A287 HydrophobicContact CB-CB 4.23Å; L283-Q288 HydrophobicContact CB-CG 3.81Å; L283-Q288 PolarHBondContact O-NE2 3.1Å; L283-L291 HydrophobicContact CD1-CD1 3.59Å
284	S	94.6	Very high	93.8	Very high	31 Å²	31	54.8 Å²	54.8	22%	0.217	28%	0.284	C	S	.	.			trans	-59.3	155.4	176.9	74.2	0	0	0	0	112	E157 S286 A287 Q288	E157-S284 PolarHBondContact OE1-N 2.81Å; E157-S284 PolarHBondContact OE1-OG 2.93Å; E157-S284 WeakPolarHBondContact OE2-CB 3.25Å; E157-S284 PolarHBondContact OE2-OG 3.39Å; S284-S286 PolarHBondContact O-N 3.07Å; S284-S286 VanDerWaalsContact O-N 3.17Å; S284-S286 PolarHBondContact OG-OG 3.1Å; S284-S286 VanDerWaalsContact OG-OG 3.05Å; S284-A287 PolarHBondContact O-N 2.98Å; S284-A287 WeakPolarHBondContact OG-CB 3.31Å; S284-A287 PolarHBondContact OG-N 2.9Å; S284-A287 VanDerWaalsContact OG-N 3.1Å; S284-Q288 VanDerWaalsContact O-CG 3.31Å; S284-Q288 WeakPolarHBondContact O-CG 3.24Å; S284-Q288 PolarHBondContact O-N 3.5Å
285	P	97.1	Very high	94	Very high	100 Å²	100	48.5 Å²	48.5	65%	0.649	26%	0.257	S	S	*	.	H	α-helix	trans	-52.3	-38.8	176.4	-28.4	36.4	0	0	0	113.1	S289 R292	P285-S289 VanDerWaalsContact O-CB 3.22Å; P285-S289 WeakPolarHBondContact O-CB 3.19Å; P285-S289 PolarHBondContact O-N 3.38Å; P285-R292 PolarHBondContact O-NH2 3.23Å
286	S	97.2	Very high	94.2	Very high	26 Å²	26	52 Å²	52	18%	0.182	27%	0.267	C	S	.	.	H	α-helix	trans	-72.3	-42.3	-179.9	55.5	0	0	0	0	112.8	S284 S289 L290 H316	S284-S286 PolarHBondContact O-N 3.07Å; S284-S286 VanDerWaalsContact O-N 3.17Å; S284-S286 PolarHBondContact OG-OG 3.1Å; S284-S286 VanDerWaalsContact OG-OG 3.05Å; S286-S289 WeakPolarHBondContact O-CB 3.41Å; S286-S289 PolarHBondContact O-N 3.27Å; S286-L290 PolarHBondContact O-N 3.13Å; S286-H316 PolarHBondContact O-CE1 3.27Å
287	A	97.3	Very high	94.3	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-61.3	-46.3	173.1	0	0	0	0	0	111.3	E157 M250 L254 L283 S284 S289 L290 L291 F318	E157-A287 WeakPolarHBondContact OE1-CB 3.5Å; M250-A287 HydrophobicContact CE-CB 4.02Å; L254-A287 HydrophobicContact CD1-CB 4.46Å; L283-A287 HydrophobicContact CB-CB 4.23Å; S284-A287 PolarHBondContact O-N 2.98Å; S284-A287 WeakPolarHBondContact OG-CB 3.31Å; S284-A287 PolarHBondContact OG-N 2.9Å; S284-A287 VanDerWaalsContact OG-N 3.1Å; A287-S289 VanDerWaalsContact C-N 3.28Å; A287-S289 PolarHBondContact O-N 3.17Å; A287-L290 PolarHBondContact O-N 3.33Å; A287-L291 VanDerWaalsContact O-CG 3.32Å; A287-L291 WeakPolarHBondContact O-CG 3.29Å; A287-L291 PolarHBondContact O-N 3.34Å; A287-F318 HydrophobicContact CB-CD2 3.87Å; A287-F318 HydrophobicContact CB-CE2 3.75Å
288	Q	98.1	Very high	94.3	Very high	27 Å²	27	48.2 Å²	48.2	13%	0.126	25%	0.254	C	S	.	.	H	α-helix	trans	-62.9	-34.8	174.7	-61.1	-177.5	29.6	0	0	112.6	M279 L283 S284 R292	M279-Q288 HydrophobicContact CE-CB 4.09Å; M279-Q288 WeakPolarHBondContact CE-O 3.25Å; M279-Q288 HydrophobicContact CG-CB 3.96Å; M279-Q288 HydrophobicContact CG-CG 3.63Å; M279-Q288 HydrophobicContact SD-CB 3.72Å; M279-Q288 HydrophobicContact SD-CG 3.65Å; L283-Q288 HydrophobicContact CB-CG 3.81Å; L283-Q288 PolarHBondContact O-NE2 3.1Å; S284-Q288 VanDerWaalsContact O-CG 3.31Å; S284-Q288 WeakPolarHBondContact O-CG 3.24Å; S284-Q288 PolarHBondContact O-N 3.5Å; Q288-R292 WeakPolarHBondContact O-CG 3.34Å; Q288-R292 PolarHBondContact O-N 2.95Å; Q288-R292 PolarHBondContact O-NE 2.89Å
289	S	97.8	Very high	94.4	Very high	33 Å²	33	45.9 Å²	45.9	23%	0.231	24%	0.236	C	C	.	.	H	α-helix	trans	-65.1	-47.3	178.3	-161.5	0	0	0	0	110.9	P285 S286 A287 L291 R292 A293 E317	P285-S289 VanDerWaalsContact O-CB 3.22Å; P285-S289 WeakPolarHBondContact O-CB 3.19Å; P285-S289 PolarHBondContact O-N 3.38Å; S286-S289 WeakPolarHBondContact O-CB 3.41Å; S286-S289 PolarHBondContact O-N 3.27Å; A287-S289 VanDerWaalsContact C-N 3.28Å; A287-S289 PolarHBondContact O-N 3.17Å; S289-L291 PolarHBondContact O-N 2.97Å; S289-R292 VanDerWaalsContact N-NH2 3.19Å; S289-R292 WeakPolarHBondContact O-CB 3.31Å; S289-R292 PolarHBondContact O-N 3.01Å; S289-R292 VanDerWaalsContact O-N 3.17Å; S289-A293 PolarHBondContact O-N 2.85Å; S289-E317 WeakPolarHBondContact CB-OE1 3.09Å; S289-E317 PolarHBondContact OG-OE1 3.03Å
290	L	98.3	Very high	94.5	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-60.3	-48.4	176.9	-176.9	52	0	0	0	111.2	M250 S286 A287 R292 A293 L294 L303 H316 F318 F319	M250-L290 HydrophobicContact CE-CB 4.09Å; M250-L290 HydrophobicContact CE-CD2 3.84Å; M250-L290 HydrophobicContact CE-CG 4.17Å; M250-L290 HydrophobicContact SD-CB 4.22Å; M250-L290 HydrophobicContact SD-CD2 3.62Å; M250-L290 HydrophobicContact SD-CG 3.76Å; S286-L290 PolarHBondContact O-N 3.13Å; A287-L290 PolarHBondContact O-N 3.33Å; L290-R292 VanDerWaalsContact C-N 3.31Å; L290-R292 PolarHBondContact O-N 3.42Å; L290-A293 WeakPolarHBondContact O-CA 3.28Å; L290-A293 WeakPolarHBondContact O-CB 3.34Å; L290-A293 PolarHBondContact O-N 3.07Å; L290-L294 HydrophobicContact CD1-CD1 3.8Å; L290-L294 HydrophobicContact CD1-CG 3.98Å; L290-L294 HydrophobicContact CG-CD1 3.74Å; L290-L294 HydrophobicContact CG-CG 4.37Å; L290-L294 WeakPolarHBondContact O-CG 3.4Å; L290-L294 PolarHBondContact O-N 2.84Å; L290-L303 HydrophobicContact CD1-CD2 3.43Å; L290-L303 VanDerWaalsContact CD1-CD2 3.43Å; L290-H316 VanDerWaalsContact CA-CE1 3.47Å; L290-H316 WeakPolarHBondContact CA-CE1 3.46Å; L290-H316 VanDerWaalsContact CB-CE1 3.46Å; L290-H316 WeakPolarHBondContact CB-CE1 3.41Å; L290-H316 PolarHBondContact N-CE1 3.15Å; L290-H316 VanDerWaalsContact N-CE1 3.26Å; L290-H316 PolarHBondContact N-NE2 3.43Å; L290-F318 HydrophobicContact CB-CB 4.3Å; L290-F318 HydrophobicContact CD2-CB 3.87Å; L290-F318 HydrophobicContact CD2-CD1 3.4Å; L290-F318 VanDerWaalsContact CD2-CD1 3.4Å; L290-F318 HydrophobicContact CD2-CE1 4.16Å; L290-F318 HydrophobicContact CD2-CG 3.81Å; L290-F319 HydrophobicContact CD2-CD2 4.41Å; L290-F319 HydrophobicContact CD2-CE2 3.59Å; L290-F319 HydrophobicContact CD2-CZ 3.92Å
291	L	98.3	Very high	95.1	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-58	-40.8	176	-70.7	169.8	0	0	0	112.2	M250 Y251 M279 L283 A287 S289 A293 L294 F295	M250-L291 HydrophobicContact CB-CD2 4.08Å; M250-L291 HydrophobicContact CE-CD2 4.37Å; M250-L291 HydrophobicContact CE-CG 3.99Å; M250-L291 HydrophobicContact CG-CD2 3.76Å; M250-L291 HydrophobicContact CG-CG 4.38Å; M250-L291 HydrophobicContact SD-CD2 3.65Å; M250-L291 HydrophobicContact SD-CG 3.84Å; Y251-L291 HydrophobicContact CD2-CD1 4.27Å; Y251-L291 HydrophobicContact CD2-CD2 4.39Å; M279-L291 HydrophobicContact CE-CB 3.82Å; M279-L291 HydrophobicContact CE-CD1 4.45Å; M279-L291 HydrophobicContact SD-CB 4.45Å; M279-L291 HydrophobicContact SD-CD1 4.02Å; L283-L291 HydrophobicContact CD1-CD1 3.59Å; A287-L291 VanDerWaalsContact O-CG 3.32Å; A287-L291 WeakPolarHBondContact O-CG 3.29Å; A287-L291 PolarHBondContact O-N 3.34Å; S289-L291 PolarHBondContact O-N 2.97Å; L291-A293 VanDerWaalsContact C-N 3.28Å; L291-A293 PolarHBondContact O-N 3.4Å; L291-L294 PolarHBondContact O-N 3.5Å; L291-F295 HydrophobicContact CB-CD2 4.44Å; L291-F295 HydrophobicContact CD2-CD2 4.46Å; L291-F295 HydrophobicContact CD2-CE2 3.89Å; L291-F295 WeakPolarHBondContact O-CB 3.39Å; L291-F295 VanDerWaalsContact O-CD2 3.24Å; L291-F295 WeakPolarHBondContact O-CD2 3.4Å; L291-F295 PolarHBondContact O-N 3.24Å
292	R	97.9	Very high	95.5	Very high	113 Å²	113	44.1 Å²	44.1	43%	0.426	24%	0.236	S	C	.	.	H	α-helix	trans	-64.9	-29.9	174.5	-77.3	178.7	-68.4	-106	1.2	113.1	M279 P285 Q288 S289 L290 K296	M279-R292 HydrophobicContact CE-CG 3.8Å; P285-R292 PolarHBondContact O-NH2 3.23Å; Q288-R292 WeakPolarHBondContact O-CG 3.34Å; Q288-R292 PolarHBondContact O-N 2.95Å; Q288-R292 PolarHBondContact O-NE 2.89Å; S289-R292 VanDerWaalsContact N-NH2 3.19Å; S289-R292 WeakPolarHBondContact O-CB 3.31Å; S289-R292 PolarHBondContact O-N 3.01Å; S289-R292 VanDerWaalsContact O-N 3.17Å; L290-R292 VanDerWaalsContact C-N 3.31Å; L290-R292 PolarHBondContact O-N 3.42Å; R292-K296 VanDerWaalsContact O-CE 3.25Å; R292-K296 WeakPolarHBondContact O-CE 3.18Å
293	A	97.7	Very high	96.1	Very high	22 Å²	22	41.5 Å²	41.5	18%	0.182	23%	0.225	C	C	.	.	H	α-helix	trans	-82.1	-34.6	179.6	0	0	0	0	0	112.6	S289 L290 L291 K296 L303	S289-A293 PolarHBondContact O-N 2.85Å; L290-A293 WeakPolarHBondContact O-CA 3.28Å; L290-A293 WeakPolarHBondContact O-CB 3.34Å; L290-A293 PolarHBondContact O-N 3.07Å; L291-A293 VanDerWaalsContact C-N 3.28Å; L291-A293 PolarHBondContact O-N 3.4Å; A293-K296 WeakPolarHBondContact O-CG 3.24Å; A293-L303 HydrophobicContact CB-CB 3.9Å; A293-L303 HydrophobicContact CB-CD2 4.13Å; A293-L303 PolarHBondContact O-N 3.3Å; A293-L303 VanDerWaalsContact O-N 3.1Å
294	L	97.9	Very high	96.4	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-77.3	-35.8	176	-64.4	167.8	0	0	0	112.7	W243 F246 M250 L290 L291 K296 R302 L303 L313	W243-L294 HydrophobicContact CB-CD2 4.4Å; F246-L294 HydrophobicContact CD1-CD1 3.84Å; F246-L294 HydrophobicContact CD1-CD2 4.24Å; F246-L294 HydrophobicContact CE1-CD1 4.23Å; M250-L294 HydrophobicContact SD-CD1 4.26Å; L290-L294 HydrophobicContact CD1-CD1 3.8Å; L290-L294 HydrophobicContact CD1-CG 3.98Å; L290-L294 HydrophobicContact CG-CD1 3.74Å; L290-L294 HydrophobicContact CG-CG 4.37Å; L290-L294 WeakPolarHBondContact O-CG 3.4Å; L290-L294 PolarHBondContact O-N 2.84Å; L291-L294 PolarHBondContact O-N 3.5Å; L294-K296 PolarHBondContact O-N 3.11Å; L294-K296 VanDerWaalsContact O-N 3.1Å; L294-R302 VanDerWaalsContact O-CD 3.28Å; L294-R302 WeakPolarHBondContact O-CD 3.44Å; L294-R302 WeakPolarHBondContact O-CG 3.19Å; L294-L303 HydrophobicContact CD2-CB 4.23Å; L294-L313 HydrophobicContact CD2-CD1 4.24Å
295	F	97.5	Very high	96.3	Very high	18 Å²	18	44.8 Å²	44.8	8%	0.079	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	28.3	178.5	-70.9	-56.1	0	0	0	115.1	W244 G247 V248 Y251 P259 F260 L277 L291 R297	W244-F295 AromaticContact CD2-CD1 4Å; W244-F295 HydrophobicContact CD2-CD1 4Å; W244-F295 HydrophobicContact CD2-CE1 4.32Å; W244-F295 AromaticContact CE2-CD1 3.94Å; W244-F295 AromaticContact CE3-CD1 3.92Å; W244-F295 HydrophobicContact CE3-CD1 3.92Å; W244-F295 AromaticContact CH2-CD1 3.79Å; W244-F295 HydrophobicContact CH2-CD1 3.79Å; W244-F295 AromaticContact CZ2-CD1 3.85Å; W244-F295 HydrophobicContact CZ2-CD1 3.85Å; W244-F295 HydrophobicContact CZ2-CE1 4.18Å; W244-F295 HydrophobicContact CZ3-CB 4.28Å; W244-F295 AromaticContact CZ3-CD1 3.83Å; W244-F295 HydrophobicContact CZ3-CD1 3.83Å; G247-F295 VanDerWaalsContact O-CZ 3.25Å; G247-F295 WeakPolarHBondContact O-CZ 3.4Å; V248-F295 HydrophobicContact CG2-CE1 3.69Å; V248-F295 HydrophobicContact CG2-CZ 4.04Å; Y251-F295 HydrophobicContact CD2-CE2 4.43Å; P259-F295 HydrophobicContact CB-CE2 4.37Å; P259-F295 HydrophobicContact CB-CZ 4.06Å; P259-F295 HydrophobicContact CG-CE1 4.23Å; P259-F295 HydrophobicContact CG-CE2 4.46Å; P259-F295 HydrophobicContact CG-CZ 3.7Å; F260-F295 AromaticContact CE2-CD1 3.97Å; F260-F295 HydrophobicContact CE2-CD1 3.97Å; F260-F295 HydrophobicContact CE2-CE1 4.09Å; L277-F295 HydrophobicContact CD1-CD2 3.79Å; L277-F295 HydrophobicContact CD1-CE2 3.91Å; L277-F295 HydrophobicContact CD1-CG 4.46Å; L277-F295 HydrophobicContact CD2-CB 4.24Å; L277-F295 HydrophobicContact CD2-CD2 3.55Å; L277-F295 HydrophobicContact CD2-CE2 4.33Å; L277-F295 HydrophobicContact CD2-CG 4.25Å; L277-F295 HydrophobicContact CG-CD2 4.29Å; L291-F295 HydrophobicContact CB-CD2 4.44Å; L291-F295 HydrophobicContact CD2-CD2 4.46Å; L291-F295 HydrophobicContact CD2-CE2 3.89Å; L291-F295 WeakPolarHBondContact O-CB 3.39Å; L291-F295 VanDerWaalsContact O-CD2 3.24Å; L291-F295 WeakPolarHBondContact O-CD2 3.4Å; L291-F295 PolarHBondContact O-N 3.24Å; F295-R297 PolarHBondContact O-N 3.1Å
296	K	96.7	Very high	96	Very high	100 Å²	100	41 Å²	41	44%	0.435	21%	0.213	S	C	.	.			trans	-75.6	119.4	171.1	-61.5	-81.1	-172.8	178.3	0	108.8	R292 A293 L294 N301 R302	R292-K296 VanDerWaalsContact O-CE 3.25Å; R292-K296 WeakPolarHBondContact O-CE 3.18Å; A293-K296 WeakPolarHBondContact O-CG 3.24Å; L294-K296 PolarHBondContact O-N 3.11Å; L294-K296 VanDerWaalsContact O-N 3.1Å; K296-N301 HydrophobicContact CB-CB 4.39Å; K296-N301 WeakPolarHBondContact CB-O 3.34Å; K296-N301 VanDerWaalsContact CG-O 3.23Å; K296-N301 WeakPolarHBondContact CG-O 3.16Å; K296-R302 HydrophobicContact CB-CB 4.12Å; K296-R302 HydrophobicContact CB-CG 4.41Å; K296-R302 PolarHBondContact O-NE 3.4Å; K296-R302 PolarHBondContact O-NH2 3.1Å; K296-R302 VanDerWaalsContact O-NH2 3.13Å
297	R	94.7	Very high	95.5	Very high	80 Å²	80	45.9 Å²	45.9	30%	0.302	25%	0.245	S	C	.	.	S	Bend	trans	-67.7	-40.6	-174.7	-69.8	-169	155.7	92.1	3.8	113.1	P229 W244 M271 I272 L273 A275 F295 P299 R302	P229-R297 HydrophobicContact CG-CB 4.31Å; P229-R297 HydrophobicContact CG-CG 4.08Å; W244-R297 HydrophobicContact CH2-CG 4.46Å; W244-R297 HydrophobicContact CZ3-CG 4.29Å; M271-R297 PolarHBondContact O-NH2 3.31Å; M271-R297 VanDerWaalsContact O-NH2 3.08Å; I272-R297 VanDerWaalsContact O-CZ 3.3Å; I272-R297 PolarHBondContact O-NE 2.62Å; I272-R297 PolarHBondContact O-NH2 3.49Å; L273-R297 WeakPolarHBondContact O-CD 3.43Å; L273-R297 PolarHBondContact O-NE 3.08Å; L273-R297 VanDerWaalsContact O-NE 3.09Å; A275-R297 VanDerWaalsContact O-CZ 3.22Å; A275-R297 PolarHBondContact O-NH1 3.15Å; A275-R297 PolarHBondContact O-NH2 2.93Å; F295-R297 PolarHBondContact O-N 3.1Å; R297-P299 WeakPolarHBondContact O-CD 3.48Å; R297-R302 PolarHBondContact O-NH2 3.35Å
298	T	93.6	Very high	95.2	Very high	77 Å²	77	50.7 Å²	50.7	47%	0.472	27%	0.27	S	S	.	.	S	Bend	trans	-73.1	120.6	171	-48.2	0	0	0	0	109.2	S300 N301	T298-S300 VanDerWaalsContact C-N 3.33Å; T298-S300 WeakPolarHBondContact CG2-OG 3.33Å; T298-S300 PolarHBondContact O-N 2.9Å; T298-N301 PolarHBondContact O-N 2.77Å; T298-N301 VanDerWaalsContact O-N 3.11Å
299	P	93.1	Very high	95	Very high	37 Å²	37	49.4 Å²	49.4	24%	0.24	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-57.2	-42	-175.7	-28.5	36.9	0	0	0	113.7	E230 A240 R297 N301 R302 Y305	E230-P299 HydrophobicContact CB-CG 4.18Å; E230-P299 HydrophobicContact CG-CG 3.96Å; A240-P299 HydrophobicContact CB-CB 4Å; R297-P299 WeakPolarHBondContact O-CD 3.48Å; P299-N301 PolarHBondContact O-N 3.12Å; P299-R302 WeakPolarHBondContact O-CB 3.46Å; P299-R302 PolarHBondContact O-N 2.97Å; P299-Y305 HydrophobicContact CB-CD2 4.26Å; P299-Y305 HydrophobicContact CB-CE2 4.4Å; P299-Y305 WeakPolarHBondContact O-CB 3.09Å; P299-Y305 VanDerWaalsContact O-CD2 3.3Å; P299-Y305 WeakPolarHBondContact O-CD2 3.42Å
300	S	93.9	Very high	94.8	Very high	62 Å²	62	48.5 Å²	48.5	43%	0.434	26%	0.257	S	S	.	.	G	3₁₀ helix	trans	-60.8	-17.4	179.6	63.8	0	0	0	0	115.1	T298	T298-S300 VanDerWaalsContact C-N 3.33Å; T298-S300 WeakPolarHBondContact CG2-OG 3.33Å; T298-S300 PolarHBondContact O-N 2.9Å
301	N	95.6	Very high	94.7	Very high	103 Å²	103	52.5 Å²	52.5	55%	0.551	28%	0.275	S	S	*	.	G	3₁₀ helix	trans	-103.7	2.1	-178.8	-60.3	-5.1	0	0	0	111.7	K296 T298 P299	K296-N301 HydrophobicContact CB-CB 4.39Å; K296-N301 WeakPolarHBondContact CB-O 3.34Å; K296-N301 VanDerWaalsContact CG-O 3.23Å; K296-N301 WeakPolarHBondContact CG-O 3.16Å; T298-N301 PolarHBondContact O-N 2.77Å; T298-N301 VanDerWaalsContact O-N 3.11Å; P299-N301 PolarHBondContact O-N 3.12Å
302	R	97	Very high	94.6	Very high	7 Å²	7	57.9 Å²	57.9	3%	0.026	30%	0.3	C	S	.	.	S	Bend	trans	-89.3	138.2	-176.1	-163.4	178.5	-60.6	148.6	3.5	110.3	E230 A240 L294 K296 R297 P299 G304 Y305	E230-R302 IonicContact OE1-CZ 3.6Å; E230-R302 IonicContact OE1-NH1 3.07Å; E230-R302 PolarHBondContact OE1-NH1 2.96Å; E230-R302 IonicContact OE1-NH2 2.8Å; E230-R302 PolarHBondContact OE1-NH2 3.11Å; E230-R302 IonicContact OE2-CZ 2.68Å; E230-R302 IonicContact OE2-NH1 3.72Å; E230-R302 IonicContact OE2-NH2 2.69Å; E230-R302 PolarHBondContact OE2-NH2 2.97Å; A240-R302 PolarHBondContact O-NH1 3.15Å; L294-R302 VanDerWaalsContact O-CD 3.28Å; L294-R302 WeakPolarHBondContact O-CD 3.44Å; L294-R302 WeakPolarHBondContact O-CG 3.19Å; K296-R302 HydrophobicContact CB-CB 4.12Å; K296-R302 HydrophobicContact CB-CG 4.41Å; K296-R302 PolarHBondContact O-NE 3.4Å; K296-R302 PolarHBondContact O-NH2 3.1Å; K296-R302 VanDerWaalsContact O-NH2 3.13Å; R297-R302 PolarHBondContact O-NH2 3.35Å; P299-R302 WeakPolarHBondContact O-CB 3.46Å; P299-R302 PolarHBondContact O-N 2.97Å; R302-G304 PolarHBondContact O-N 2.88Å; R302-Y305 VanDerWaalsContact O-CB 3.23Å; R302-Y305 WeakPolarHBondContact O-CB 3.42Å; R302-Y305 PolarHBondContact O-N 3.17Å; R302-Y305 VanDerWaalsContact O-N 3.14Å
303	L	96.3	Very high	94.6	Very high	29 Å²	29	52.5 Å²	52.5	15%	0.152	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	138.2	170.4	-165.8	67.4	0	0	0	109.5	L290 A293 L294 H312 L313 H316	L290-L303 HydrophobicContact CD1-CD2 3.43Å; L290-L303 VanDerWaalsContact CD1-CD2 3.43Å; A293-L303 HydrophobicContact CB-CB 3.9Å; A293-L303 HydrophobicContact CB-CD2 4.13Å; A293-L303 PolarHBondContact O-N 3.3Å; A293-L303 VanDerWaalsContact O-N 3.1Å; L294-L303 HydrophobicContact CD2-CB 4.23Å; L303-H312 HydrophobicContact CD1-CB 3.82Å; L303-L313 HydrophobicContact CD2-CB 4.3Å; L303-L313 HydrophobicContact CD2-CD1 4.5Å; L303-L313 HydrophobicContact CD2-CG 4.34Å; L303-L313 HydrophobicContact CG-CB 4.17Å; L303-H316 HydrophobicContact CD2-CB 4.38Å
304	G	93.8	Very high	94.5	Very high	4 Å²	4	53.7 Å²	53.7	4%	0.041	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	91.3	-7.5	-170.6	0	0	0	0	0	115.5	W243 R302 G309	W243-G304 VanDerWaalsContact CD1-C 3.45Å; W243-G304 VanDerWaalsContact CD1-CA 3.46Å; W243-G304 PolarHBondContact NE1-O 3.48Å; R302-G304 PolarHBondContact O-N 2.88Å; G304-G309 VanDerWaalsContact CA-O 3.31Å; G304-G309 WeakPolarHBondContact CA-O 3.36Å; G304-G309 PolarHBondContact N-O 2.76Å
305	Y	93.4	Very high	94.4	Very high	103 Å²	103	59.8 Å²	59.8	40%	0.404	31%	0.313	S	S	.	.			trans	-76.8	140.4	176.7	-179.2	-88.7	0	0	0	113.1	A240 P299 R302 G309	A240-Y305 HydrophobicContact CB-CD2 3.98Å; P299-Y305 HydrophobicContact CB-CD2 4.26Å; P299-Y305 HydrophobicContact CB-CE2 4.4Å; P299-Y305 WeakPolarHBondContact O-CB 3.09Å; P299-Y305 VanDerWaalsContact O-CD2 3.3Å; P299-Y305 WeakPolarHBondContact O-CD2 3.42Å; R302-Y305 VanDerWaalsContact O-CB 3.23Å; R302-Y305 WeakPolarHBondContact O-CB 3.42Å; R302-Y305 PolarHBondContact O-N 3.17Å; R302-Y305 VanDerWaalsContact O-N 3.14Å; Y305-G309 VanDerWaalsContact O-CA 3.29Å; Y305-G309 WeakPolarHBondContact O-CA 3.37Å
306	G	89	Confident	94.5	Very high	19 Å²	19	60.1 Å²	60.1	20%	0.196	32%	0.315	C	S	.	.	S	Bend	trans	79.5	178.3	174.1	0	0	0	0	0	114.2	D308 G309	G306-D308 PolarHBondContact O-N 3.35Å; G306-G309 WeakPolarHBondContact O-CA 3.06Å; G306-G309 PolarHBondContact O-N 2.86Å
307	P	87.4	Confident	94.5	Very high	130 Å²	130	59.6 Å²	59.6	84%	0.844	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-42	-171.7	23.4	-33.7	0	0	0	113.1	G309	P307-G309 PolarHBondContact O-N 2.67Å
308	D	91.6	Very high	94.6	Very high	100 Å²	100	55.9 Å²	55.9	54%	0.535	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	5.2	177	-48.9	-65.2	0	0	0	112.8	G306 F310 E311 H312	G306-D308 PolarHBondContact O-N 3.35Å; D308-F310 VanDerWaalsContact C-N 3.3Å; D308-F310 PolarHBondContact O-N 2.9Å; D308-E311 PolarHBondContact O-N 2.82Å; D308-E311 VanDerWaalsContact O-N 3.13Å; D308-H312 PolarHBondContact O-N 3.46Å; D308-H312 PolarHBondContact O-ND1 3.07Å
309	G	92.6	Very high	94.8	Very high	1 Å²	1	52.3 Å²	52.3	1%	0.01	28%	0.278	C	S	.	.	H	α-helix	trans	-58	-39.3	-172.3	0	0	0	0	0	113.5	G304 Y305 G306 P307 L313	G304-G309 VanDerWaalsContact CA-O 3.31Å; G304-G309 WeakPolarHBondContact CA-O 3.36Å; G304-G309 PolarHBondContact N-O 2.76Å; Y305-G309 VanDerWaalsContact O-CA 3.29Å; Y305-G309 WeakPolarHBondContact O-CA 3.37Å; G306-G309 WeakPolarHBondContact O-CA 3.06Å; G306-G309 PolarHBondContact O-N 2.86Å; P307-G309 PolarHBondContact O-N 2.67Å; G309-L313 PolarHBondContact O-N 2.78Å
310	F	95.5	Very high	94.9	Very high	14 Å²	14	56.4 Å²	56.4	6%	0.061	30%	0.298	C	S	.	.	H	α-helix	trans	-71.3	-39.3	176.4	178	-121.4	0	0	0	112.7	A168 L169 N172 W243 D308 H312 L313 K314 W324	A168-F310 HydrophobicContact CB-CE2 3.9Å; A168-F310 WeakPolarHBondContact O-CE2 3.47Å; L169-F310 HydrophobicContact CD2-CE1 4.44Å; L169-F310 HydrophobicContact CD2-CZ 3.92Å; L169-F310 HydrophobicContact CG-CZ 4.39Å; N172-F310 HydrophobicContact CB-CB 4.28Å; N172-F310 HydrophobicContact CB-CD1 3.67Å; N172-F310 HydrophobicContact CB-CD2 3.73Å; N172-F310 HydrophobicContact CB-CE1 3.77Å; N172-F310 HydrophobicContact CB-CE2 3.88Å; N172-F310 HydrophobicContact CB-CG 3.62Å; N172-F310 HydrophobicContact CB-CZ 3.89Å; N172-F310 VanDerWaalsContact CG-CG 3.41Å; N172-F310 VanDerWaalsContact ND2-CD1 3.31Å; N172-F310 WeakPolarHBondContact ND2-CD1 3.17Å; N172-F310 WeakPolarHBondContact ND2-CE1 3.46Å; N172-F310 VanDerWaalsContact OD1-CB 3.28Å; N172-F310 WeakPolarHBondContact OD1-CB 3.41Å; N172-F310 VanDerWaalsContact OD1-CD1 3.29Å; N172-F310 WeakPolarHBondContact OD1-CD1 3.3Å; N172-F310 WeakPolarHBondContact OD1-CG 3.4Å; W243-F310 AromaticContact CH2-CD2 3.92Å; W243-F310 HydrophobicContact CH2-CD2 3.92Å; W243-F310 HydrophobicContact CH2-CE2 4.49Å; W243-F310 HydrophobicContact CZ2-CD2 4.28Å; D308-F310 VanDerWaalsContact C-N 3.3Å; D308-F310 PolarHBondContact O-N 2.9Å; F310-H312 VanDerWaalsContact C-N 3.33Å; F310-H312 PolarHBondContact O-N 3.03Å; F310-L313 HydrophobicContact CD2-CD2 4.49Å; F310-L313 CarbonylContact O-C 3.38Å; F310-L313 WeakPolarHBondContact O-CA 3.24Å; F310-L313 WeakPolarHBondContact O-CB 2.91Å; F310-L313 PolarHBondContact O-N 3.2Å; F310-K314 HydrophobicContact CD1-CD 3.84Å; F310-K314 HydrophobicContact CD1-CG 4.38Å; F310-K314 HydrophobicContact CD2-CG 4.37Å; F310-K314 HydrophobicContact CE1-CD 3.43Å; F310-K314 VanDerWaalsContact CE1-CD 3.43Å; F310-K314 HydrophobicContact CE1-CG 4.04Å; F310-K314 HydrophobicContact CE2-CD 4.29Å; F310-K314 HydrophobicContact CE2-CG 3.97Å; F310-K314 HydrophobicContact CG-CD 4.47Å; F310-K314 HydrophobicContact CZ-CD 3.68Å; F310-K314 HydrophobicContact CZ-CG 3.8Å; F310-K314 WeakPolarHBondContact O-CG 3.47Å; F310-K314 PolarHBondContact O-N 3.32Å; F310-W324 HydrophobicContact CE2-CZ3 4.41Å; F310-W324 HydrophobicContact CZ-CE3 4.47Å; F310-W324 HydrophobicContact CZ-CZ3 4.33Å
311	E	96	Very high	94.9	Very high	83 Å²	83	58 Å²	58	39%	0.388	31%	0.305	S	S	.	.	H	α-helix	trans	-65.8	-37	175.5	-69.5	-57.2	139.5	0	0	111.5	D308 L313 K314 N315	D308-E311 PolarHBondContact O-N 2.82Å; D308-E311 VanDerWaalsContact O-N 3.13Å; E311-L313 VanDerWaalsContact C-N 3.27Å; E311-L313 PolarHBondContact O-N 2.73Å; E311-K314 PolarHBondContact O-N 3.13Å; E311-K314 WeakPolarHBondContact OE1-CD 3.22Å; E311-K314 IonicContact OE1-NZ 2.66Å; E311-K314 PolarHBondContact OE1-NZ 3.42Å; E311-K314 IonicContact OE2-NZ 3.86Å; E311-K314 PolarHBondContact OE2-NZ 2.69Å; E311-N315 WeakPolarHBondContact O-CB 3.28Å; E311-N315 PolarHBondContact O-N 3.29Å; E311-N315 PolarHBondContact O-ND2 3.32Å
312	H	96.1	Very high	94.9	Very high	113 Å²	113	54.2 Å²	54.2	52%	0.523	29%	0.285	S	S	.	.	H	α-helix	trans	-61.9	-34.2	169.8	-64.8	130.6	0	0	0	112.8	L303 D308 F310 H316	L303-H312 HydrophobicContact CD1-CB 3.82Å; D308-H312 PolarHBondContact O-N 3.46Å; D308-H312 PolarHBondContact O-ND1 3.07Å; F310-H312 VanDerWaalsContact C-N 3.33Å; F310-H312 PolarHBondContact O-N 3.03Å; H312-H316 PolarHBondContact O-N 2.81Å
313	L	96.8	Very high	94.8	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-71.8	-43.6	175.8	-175.1	144.6	0	0	0	111.9	A168 W243 F246 L294 L303 G309 F310 E311 N315 H316 F319 W324	A168-L313 HydrophobicContact CB-CD2 3.89Å; W243-L313 HydrophobicContact CD2-CD1 4.3Å; W243-L313 HydrophobicContact CE3-CD1 3.57Å; W243-L313 HydrophobicContact CH2-CD1 4.27Å; W243-L313 HydrophobicContact CZ3-CD1 3.57Å; W243-L313 HydrophobicContact CZ3-CD2 4.44Å; F246-L313 HydrophobicContact CE1-CD1 4.22Å; L294-L313 HydrophobicContact CD2-CD1 4.24Å; L303-L313 HydrophobicContact CD2-CB 4.3Å; L303-L313 HydrophobicContact CD2-CD1 4.5Å; L303-L313 HydrophobicContact CD2-CG 4.34Å; L303-L313 HydrophobicContact CG-CB 4.17Å; G309-L313 PolarHBondContact O-N 2.78Å; F310-L313 HydrophobicContact CD2-CD2 4.49Å; F310-L313 CarbonylContact O-C 3.38Å; F310-L313 WeakPolarHBondContact O-CA 3.24Å; F310-L313 WeakPolarHBondContact O-CB 2.91Å; F310-L313 PolarHBondContact O-N 3.2Å; E311-L313 VanDerWaalsContact C-N 3.27Å; E311-L313 PolarHBondContact O-N 2.73Å; L313-N315 VanDerWaalsContact C-N 3.31Å; L313-N315 PolarHBondContact O-N 3.09Å; L313-H316 VanDerWaalsContact O-CB 3.24Å; L313-H316 WeakPolarHBondContact O-CB 3.35Å; L313-H316 PolarHBondContact O-N 2.81Å; L313-H316 VanDerWaalsContact O-N 3.16Å; L313-F319 HydrophobicContact CD2-CD2 4.35Å; L313-F319 HydrophobicContact CD2-CE2 3.82Å; L313-F319 HydrophobicContact CD2-CZ 4.42Å; L313-F319 HydrophobicContact CG-CE2 4.25Å; L313-F319 WeakPolarHBondContact O-CD2 3.38Å; L313-W324 HydrophobicContact CD2-CH2 4.49Å
314	K	96.3	Very high	94.9	Very high	47 Å²	47	57.1 Å²	57.1	20%	0.204	30%	0.299	C	S	.	.	H	α-helix	trans	-59	-40.8	175.8	-73.8	172.2	57.7	-155.4	0	112.8	F310 E311 H316 W324	F310-K314 HydrophobicContact CD1-CD 3.84Å; F310-K314 HydrophobicContact CD1-CG 4.38Å; F310-K314 HydrophobicContact CD2-CG 4.37Å; F310-K314 HydrophobicContact CE1-CD 3.43Å; F310-K314 VanDerWaalsContact CE1-CD 3.43Å; F310-K314 HydrophobicContact CE1-CG 4.04Å; F310-K314 HydrophobicContact CE2-CD 4.29Å; F310-K314 HydrophobicContact CE2-CG 3.97Å; F310-K314 HydrophobicContact CG-CD 4.47Å; F310-K314 HydrophobicContact CZ-CD 3.68Å; F310-K314 HydrophobicContact CZ-CG 3.8Å; F310-K314 WeakPolarHBondContact O-CG 3.47Å; F310-K314 PolarHBondContact O-N 3.32Å; E311-K314 PolarHBondContact O-N 3.13Å; E311-K314 WeakPolarHBondContact OE1-CD 3.22Å; E311-K314 IonicContact OE1-NZ 2.66Å; E311-K314 PolarHBondContact OE1-NZ 3.42Å; E311-K314 IonicContact OE2-NZ 3.86Å; E311-K314 PolarHBondContact OE2-NZ 2.69Å; K314-H316 PolarHBondContact O-N 2.77Å; K314-W324 HydrophobicContact CB-CD2 4.44Å; K314-W324 HydrophobicContact CB-CZ2 3.95Å; K314-W324 HydrophobicContact CD-CD2 4.27Å; K314-W324 HydrophobicContact CD-CG 4.47Å; K314-W324 HydrophobicContact CG-CD2 3.81Å; K314-W324 HydrophobicContact CG-CE3 4.1Å; K314-W324 HydrophobicContact CG-CG 4.39Å; K314-W324 HydrophobicContact CG-CH2 4.04Å; K314-W324 HydrophobicContact CG-CZ2 3.75Å; K314-W324 HydrophobicContact CG-CZ3 4.2Å
315	N	96.5	Very high	95	Very high	128 Å²	128	62.2 Å²	62.2	68%	0.684	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.9	2	-179.5	-70.8	-60.1	0	0	0	113.8	E311 L313	E311-N315 WeakPolarHBondContact O-CB 3.28Å; E311-N315 PolarHBondContact O-N 3.29Å; E311-N315 PolarHBondContact O-ND2 3.32Å; L313-N315 VanDerWaalsContact C-N 3.31Å; L313-N315 PolarHBondContact O-N 3.09Å
316	H	98	Very high	95.1	Very high	25 Å²	25	60.8 Å²	60.8	12%	0.116	33%	0.325	C	S	.	.	S	Bend	trans	-69.7	138.8	177.8	-168.8	-86.6	0	0	0	111.3	S286 L290 L303 H312 L313 K314 F318 F319	S286-H316 PolarHBondContact O-CE1 3.27Å; L290-H316 VanDerWaalsContact CA-CE1 3.47Å; L290-H316 WeakPolarHBondContact CA-CE1 3.46Å; L290-H316 VanDerWaalsContact CB-CE1 3.46Å; L290-H316 WeakPolarHBondContact CB-CE1 3.41Å; L290-H316 PolarHBondContact N-CE1 3.15Å; L290-H316 VanDerWaalsContact N-CE1 3.26Å; L290-H316 PolarHBondContact N-NE2 3.43Å; L303-H316 HydrophobicContact CD2-CB 4.38Å; H312-H316 PolarHBondContact O-N 2.81Å; L313-H316 VanDerWaalsContact O-CB 3.24Å; L313-H316 WeakPolarHBondContact O-CB 3.35Å; L313-H316 PolarHBondContact O-N 2.81Å; L313-H316 VanDerWaalsContact O-N 3.16Å; K314-H316 PolarHBondContact O-N 2.77Å; H316-F318 PolarHBondContact ND1-N 3.44Å; H316-F318 PolarHBondContact O-N 2.68Å; H316-F319 HydrophobicContact CB-CD2 4.47Å; H316-F319 PolarHBondContact O-N 3.16Å
317	E	97.3	Very high	95.4	Very high	90 Å²	90	59.9 Å²	59.9	42%	0.421	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-51	-25.1	-176.2	51.3	173.3	162.2	0	0	115.5	S289 N320	S289-E317 WeakPolarHBondContact CB-OE1 3.09Å; S289-E317 PolarHBondContact OG-OE1 3.03Å; E317-N320 WeakPolarHBondContact O-CB 3.34Å; E317-N320 PolarHBondContact O-ND2 3Å; E317-N320 PolarHBondContact O-OD1 3.04Å
318	F	97.9	Very high	95.7	Very high	2 Å²	2	56.6 Å²	56.6	1%	0.009	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-69.2	-30.1	176.4	-175.8	-104.8	0	0	0	113.4	E157 V160 K161 L164 M250 A287 L290 H316	E157-F318 HydrophobicContact CB-CE2 4.27Å; V160-F318 HydrophobicContact CG1-CZ 4.44Å; K161-F318 HydrophobicContact CB-CD1 4.5Å; K161-F318 HydrophobicContact CB-CE1 3.77Å; K161-F318 HydrophobicContact CB-CZ 3.88Å; K161-F318 WeakPolarHBondContact CD-O 3.46Å; K161-F318 WeakPolarHBondContact CE-O 3.36Å; K161-F318 HydrophobicContact CG-CD1 4.36Å; K161-F318 HydrophobicContact CG-CE1 4.1Å; K161-F318 WeakPolarHBondContact CG-O 3.33Å; L164-F318 HydrophobicContact CD1-CE1 4.4Å; M250-F318 HydrophobicContact CE-CD1 4.28Å; M250-F318 HydrophobicContact CE-CD2 4.31Å; M250-F318 HydrophobicContact CE-CE1 3.99Å; M250-F318 HydrophobicContact CE-CE2 4.05Å; M250-F318 HydrophobicContact CE-CG 4.42Å; M250-F318 HydrophobicContact CE-CZ 3.88Å; A287-F318 HydrophobicContact CB-CD2 3.87Å; A287-F318 HydrophobicContact CB-CE2 3.75Å; L290-F318 HydrophobicContact CB-CB 4.3Å; L290-F318 HydrophobicContact CD2-CB 3.87Å; L290-F318 HydrophobicContact CD2-CD1 3.4Å; L290-F318 VanDerWaalsContact CD2-CD1 3.4Å; L290-F318 HydrophobicContact CD2-CE1 4.16Å; L290-F318 HydrophobicContact CD2-CG 3.81Å; H316-F318 PolarHBondContact ND1-N 3.44Å; H316-F318 PolarHBondContact O-N 2.68Å
319	F	97.8	Very high	95.8	Very high	1 Å²	1	57.7 Å²	57.7	0%	0.004	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-99.9	11.8	-179.7	-61.6	-71.3	0	0	0	113.3	K161 L164 A165 F246 L290 L313 H316 T321 I322 W324	K161-F319 HydrophobicContact CG-CD1 3.88Å; K161-F319 HydrophobicContact CG-CE1 4.36Å; L164-F319 HydrophobicContact CB-CE1 3.98Å; L164-F319 HydrophobicContact CB-CZ 4.03Å; A165-F319 HydrophobicContact CB-CD1 4.22Å; A165-F319 HydrophobicContact CB-CE1 4.23Å; F246-F319 HydrophobicContact CE1-CZ 4.38Å; F246-F319 HydrophobicContact CZ-CZ 4.16Å; L290-F319 HydrophobicContact CD2-CD2 4.41Å; L290-F319 HydrophobicContact CD2-CE2 3.59Å; L290-F319 HydrophobicContact CD2-CZ 3.92Å; L313-F319 HydrophobicContact CD2-CD2 4.35Å; L313-F319 HydrophobicContact CD2-CE2 3.82Å; L313-F319 HydrophobicContact CD2-CZ 4.42Å; L313-F319 HydrophobicContact CG-CE2 4.25Å; L313-F319 WeakPolarHBondContact O-CD2 3.38Å; H316-F319 HydrophobicContact CB-CD2 4.47Å; H316-F319 PolarHBondContact O-N 3.16Å; F319-T321 PolarHBondContact O-N 3.34Å; F319-I322 HydrophobicContact CB-CG1 4.4Å; F319-I322 HydrophobicContact CD1-CG1 4.3Å; F319-I322 WeakPolarHBondContact O-CB 3.47Å; F319-I322 PolarHBondContact O-N 3.17Å; F319-W324 HydrophobicContact CB-CZ2 3.68Å; F319-W324 HydrophobicContact CD1-CH2 4.21Å; F319-W324 HydrophobicContact CD1-CZ2 4.16Å; F319-W324 HydrophobicContact CD2-CZ2 4.3Å; F319-W324 HydrophobicContact CG-CH2 4.2Å; F319-W324 AromaticContact CG-CZ2 3.81Å; F319-W324 HydrophobicContact CG-CZ2 3.81Å
320	N	94	Very high	95.6	Very high	124 Å²	124	59.7 Å²	59.7	66%	0.663	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-19.7	-174.1	67.7	-11.6	0	0	0	115.4	E317	E317-N320 WeakPolarHBondContact O-CB 3.34Å; E317-N320 PolarHBondContact O-ND2 3Å; E317-N320 PolarHBondContact O-OD1 3.04Å
321	T	93.8	Very high	95.4	Very high	94 Å²	94	63.5 Å²	63.5	58%	0.577	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.8	-1.5	175.9	59	0	0	0	0	114.2	K161 F319	K161-T321 WeakPolarHBondContact CD-OG1 3.26Å; K161-T321 PolarHBondContact NZ-OG1 3.29Å; F319-T321 PolarHBondContact O-N 3.34Å
322	I	95.7	Very high	95.2	Very high	24 Å²	24	61.7 Å²	61.7	12%	0.123	34%	0.337	C	S	.	.			trans	-90.8	118.9	-177.9	-59.6	-60.1	0	0	0	110.1	K161 A165 F319 W324 L327	K161-I322 HydrophobicContact CD-CD1 4.03Å; K161-I322 HydrophobicContact CD-CG1 4.04Å; K161-I322 HydrophobicContact CG-CD1 4.07Å; K161-I322 HydrophobicContact CG-CG1 3.97Å; A165-I322 HydrophobicContact CB-CG1 4.25Å; A165-I322 HydrophobicContact CB-CG2 4.07Å; F319-I322 HydrophobicContact CB-CG1 4.4Å; F319-I322 HydrophobicContact CD1-CG1 4.3Å; F319-I322 WeakPolarHBondContact O-CB 3.47Å; F319-I322 PolarHBondContact O-N 3.17Å; I322-W324 HydrophobicContact CG2-CD2 4.01Å; I322-W324 HydrophobicContact CG2-CE3 4.44Å; I322-W324 HydrophobicContact CG2-CG 4.23Å; I322-W324 HydrophobicContact CG2-CZ2 4.46Å; I322-W324 PolarHBondContact O-N 3.41Å; I322-L327 HydrophobicContact CG2-CD2 3.91Å
323	N	96	Very high	94.9	Very high	69 Å²	69	64.3 Å²	64.3	37%	0.369	35%	0.349	S	S	.	.			trans	-81.6	107.8	159	-175.3	-7	0	0	0	108.6	D325 D326 L327	N323-D325 VanDerWaalsContact C-N 3.32Å; N323-D325 PolarHBondContact O-N 3.49Å; N323-D325 PolarHBondContact OD1-N 2.94Å; N323-D325 VanDerWaalsContact OD1-N 3.16Å; N323-D326 HydrophobicContact CB-CB 4Å; N323-D326 PolarHBondContact ND2-OD1 3.04Å; N323-D326 PolarHBondContact ND2-OD2 3.49Å; N323-L327 WeakPolarHBondContact O-CB 3.47Å; N323-L327 PolarHBondContact O-N 3.26Å
324	W	96.9	Very high	94.7	Very high	29 Å²	29	64.8 Å²	64.8	11%	0.11	35%	0.352	C	S	.	.	H	α-helix	trans	-66.7	-31.1	-175.6	-65.2	89.2	0	0	0	113.3	A165 A168 L169 F310 L313 K314 F319 I322 L328	A165-W324 HydrophobicContact CB-CE3 4.5Å; A165-W324 HydrophobicContact CB-CH2 3.82Å; A165-W324 HydrophobicContact CB-CZ3 3.79Å; A168-W324 HydrophobicContact CB-CH2 4.5Å; A168-W324 HydrophobicContact CB-CZ3 4.38Å; L169-W324 HydrophobicContact CD1-CE3 4.14Å; L169-W324 HydrophobicContact CD2-CE3 4.15Å; L169-W324 HydrophobicContact CG-CE3 3.94Å; L169-W324 HydrophobicContact CG-CZ3 4.16Å; F310-W324 HydrophobicContact CE2-CZ3 4.41Å; F310-W324 HydrophobicContact CZ-CE3 4.47Å; F310-W324 HydrophobicContact CZ-CZ3 4.33Å; L313-W324 HydrophobicContact CD2-CH2 4.49Å; K314-W324 HydrophobicContact CB-CD2 4.44Å; K314-W324 HydrophobicContact CB-CZ2 3.95Å; K314-W324 HydrophobicContact CD-CD2 4.27Å; K314-W324 HydrophobicContact CD-CG 4.47Å; K314-W324 HydrophobicContact CG-CD2 3.81Å; K314-W324 HydrophobicContact CG-CE3 4.1Å; K314-W324 HydrophobicContact CG-CG 4.39Å; K314-W324 HydrophobicContact CG-CH2 4.04Å; K314-W324 HydrophobicContact CG-CZ2 3.75Å; K314-W324 HydrophobicContact CG-CZ3 4.2Å; F319-W324 HydrophobicContact CB-CZ2 3.68Å; F319-W324 HydrophobicContact CD1-CH2 4.21Å; F319-W324 HydrophobicContact CD1-CZ2 4.16Å; F319-W324 HydrophobicContact CD2-CZ2 4.3Å; F319-W324 HydrophobicContact CG-CH2 4.2Å; F319-W324 AromaticContact CG-CZ2 3.81Å; F319-W324 HydrophobicContact CG-CZ2 3.81Å; I322-W324 HydrophobicContact CG2-CD2 4.01Å; I322-W324 HydrophobicContact CG2-CE3 4.44Å; I322-W324 HydrophobicContact CG2-CG 4.23Å; I322-W324 HydrophobicContact CG2-CZ2 4.46Å; I322-W324 PolarHBondContact O-N 3.41Å; W324-L328 WeakPolarHBondContact O-CB 3.24Å; W324-L328 PolarHBondContact O-N 3.38Å
325	D	95.8	Very high	94.4	Very high	110 Å²	110	65.3 Å²	65.3	59%	0.588	36%	0.36	S	S	*	.	H	α-helix	trans	-75.9	-44.6	178.5	-64.6	-39.3	0	0	0	110.9	N323 L327 L328 N329	N323-D325 VanDerWaalsContact C-N 3.32Å; N323-D325 PolarHBondContact O-N 3.49Å; N323-D325 PolarHBondContact OD1-N 2.94Å; N323-D325 VanDerWaalsContact OD1-N 3.16Å; D325-L327 VanDerWaalsContact C-N 3.26Å; D325-L327 PolarHBondContact O-N 3.48Å; D325-L328 PolarHBondContact O-N 3.05Å; D325-N329 WeakPolarHBondContact O-CB 3.46Å; D325-N329 PolarHBondContact O-N 3.41Å; D325-N329 PolarHBondContact O-ND2 3.39Å
326	D	95.6	Very high	94	Very high	73 Å²	73	61.7 Å²	61.7	39%	0.39	34%	0.339	S	S	.	.	H	α-helix	trans	-62.2	-37.3	173.9	-70	-14.8	0	0	0	111.1	N323 G330 C331 I332	N323-D326 HydrophobicContact CB-CB 4Å; N323-D326 PolarHBondContact ND2-OD1 3.04Å; N323-D326 PolarHBondContact ND2-OD2 3.49Å; D326-G330 PolarHBondContact O-N 2.85Å; D326-C331 HydrophobicContact CB-CB 4.07Å; D326-C331 WeakPolarHBondContact O-CA 3.42Å; D326-C331 WeakPolarHBondContact O-CB 3.41Å; D326-C331 PolarHBondContact O-N 2.73Å; D326-I332 HydrophobicContact CB-CD1 4.16Å; D326-I332 HydrophobicContact CB-CG1 3.84Å
327	L	95.8	Very high	93.5	Very high	0 Å²	0	66.6 Å²	66.6	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-62	-56.4	175.7	-171.9	62.5	0	0	0	110.3	Y119 F162 A165 E166 L169 I322 N323 D325 N329 G330 I332	Y119-L327 WeakPolarHBondContact OH-CG 2.47Å; Y119-L327 PolarHBondContact OH-O 2.78Å; F162-L327 HydrophobicContact CD2-CD1 4.15Å; F162-L327 HydrophobicContact CE2-CD1 3.64Å; F162-L327 HydrophobicContact CZ-CD1 4.15Å; A165-L327 HydrophobicContact CB-CD2 3.38Å; E166-L327 HydrophobicContact CG-CD1 3.84Å; E166-L327 HydrophobicContact CG-CD2 4.17Å; E166-L327 HydrophobicContact CG-CG 4.17Å; L169-L327 HydrophobicContact CD1-CB 4.5Å; L169-L327 HydrophobicContact CD1-CD2 3.94Å; L169-L327 HydrophobicContact CD1-CG 4.19Å; I322-L327 HydrophobicContact CG2-CD2 3.91Å; N323-L327 WeakPolarHBondContact O-CB 3.47Å; N323-L327 PolarHBondContact O-N 3.26Å; D325-L327 VanDerWaalsContact C-N 3.26Å; D325-L327 PolarHBondContact O-N 3.48Å; L327-N329 PolarHBondContact O-N 3.46Å; L327-G330 PolarHBondContact O-N 3.38Å; L327-I332 HydrophobicContact CB-CD1 3.95Å; L327-I332 HydrophobicContact CD1-CB 4.2Å; L327-I332 HydrophobicContact CD1-CD1 4.28Å
328	L	94.6	Very high	92.9	Very high	62 Å²	62	62.5 Å²	62.5	33%	0.325	34%	0.341	S	S	.	.	H	α-helix	trans	-58.4	-32.9	-178.6	-175.7	64.2	0	0	0	113.1	P118 L169 W324 D325 G330	P118-L328 HydrophobicContact CG-CD1 3.71Å; L169-L328 HydrophobicContact CD1-CB 4.21Å; L169-L328 HydrophobicContact CD1-CD1 4.38Å; W324-L328 WeakPolarHBondContact O-CB 3.24Å; W324-L328 PolarHBondContact O-N 3.38Å; D325-L328 PolarHBondContact O-N 3.05Å; L328-G330 VanDerWaalsContact C-N 3.29Å; L328-G330 PolarHBondContact O-N 2.78Å
329	N	93	Very high	91.8	Very high	122 Å²	122	66 Å²	66	65%	0.652	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	3.4	175.9	-70.9	-66.7	0	0	0	114.1	D325 L327 C331	D325-N329 WeakPolarHBondContact O-CB 3.46Å; D325-N329 PolarHBondContact O-N 3.41Å; D325-N329 PolarHBondContact O-ND2 3.39Å; L327-N329 PolarHBondContact O-N 3.46Å; N329-C331 VanDerWaalsContact C-N 3.28Å; N329-C331 PolarHBondContact O-N 2.71Å
330	G	88.7	Confident	90.6	Very high	43 Å²	43	68.2 Å²	68.2	44%	0.443	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.2	20.5	179.4	0	0	0	0	0	114.2	D326 L327 L328	D326-G330 PolarHBondContact O-N 2.85Å; L327-G330 PolarHBondContact O-N 3.38Å; L328-G330 VanDerWaalsContact C-N 3.29Å; L328-G330 PolarHBondContact O-N 2.78Å
331	C	91	Very high	89	Confident	94 Å²	94	67.5 Å²	67.5	64%	0.635	38%	0.383	S	S	*	.			trans	-85.1	-12.9	-178.7	-60.3	0	0	0	0	113.5	D326 N329	D326-C331 HydrophobicContact CB-CB 4.07Å; D326-C331 WeakPolarHBondContact O-CA 3.42Å; D326-C331 WeakPolarHBondContact O-CB 3.41Å; D326-C331 PolarHBondContact O-N 2.73Å; N329-C331 VanDerWaalsContact C-N 3.28Å; N329-C331 PolarHBondContact O-N 2.71Å
332	I	91.3	Very high	87.5	Confident	45 Å²	45	65.6 Å²	65.6	23%	0.231	37%	0.374	C	S	.	.	S	Bend	trans	-94.5	121.4	174.2	-53.5	-173.2	0	0	0	109.6	F162 H196 D326 L327	F162-I332 HydrophobicContact CD2-CG2 4.09Å; F162-I332 HydrophobicContact CE2-CB 4.23Å; F162-I332 HydrophobicContact CE2-CG2 3.78Å; H196-I332 PolarHBondContact CE1-O 3.45Å; H196-I332 VanDerWaalsContact CE1-O 3.32Å; D326-I332 HydrophobicContact CB-CD1 4.16Å; D326-I332 HydrophobicContact CB-CG1 3.84Å; L327-I332 HydrophobicContact CB-CD1 3.95Å; L327-I332 HydrophobicContact CD1-CB 4.2Å; L327-I332 HydrophobicContact CD1-CD1 4.28Å
333	Q	90.4	Very high	85.9	Confident	168 Å²	168	69.9 Å²	69.9	79%	0.785	40%	0.396	S	S	*	.	P	Polyproline II helix	trans	-68.3	134	178.4	-173.9	-176.2	-30	0	0	111.4
334	P	92.1	Very high	84	Confident	10 Å²	10	68.8 Å²	68.8	7%	0.065	39%	0.39	C	S	.	.	P	Polyproline II helix	trans	-60.6	147.8	173.4	-25.9	35.9	0	0	0	113.5	F162 H196 F336	F162-P334 HydrophobicContact CE1-CB 3.95Å; F162-P334 HydrophobicContact CE1-CG 4.23Å; F162-P334 HydrophobicContact CZ-CB 4Å; F162-P334 HydrophobicContact CZ-CG 3.92Å; H196-P334 WeakPolarHBondContact NE2-CD 3.41Å; H196-P334 WeakPolarHBondContact NE2-CG 3.5Å; P334-F336 PolarHBondContact O-N 3.06Å
335	P	89.8	Confident	82.4	Confident	58 Å²	58	68.3 Å²	68.3	38%	0.377	39%	0.39	S	S	.	.	S	Bend	trans	-67.1	-23.4	179.5	28.9	-36.8	0	0	0	113	D159 F162 Y163	D159-P335 HydrophobicContact CB-CG 4.28Å; F162-P335 HydrophobicContact CB-CG 4.41Å; F162-P335 VanDerWaalsContact CD1-CD 3.4Å; F162-P335 HydrophobicContact CD1-CG 4.16Å; F162-P335 HydrophobicContact CG-CG 4.36Å; Y163-P335 HydrophobicContact CE2-CG 3.99Å
336	F	87.4	Confident	81.4	Confident	53 Å²	53	64.5 Å²	64.5	23%	0.232	37%	0.369	C	S	.	.			trans	-135.6	126	-179.3	167.6	-100.6	0	0	0	110.4	R148 L191 G195 P334 P338	R148-F336 HydrophobicContact CG-CE1 4.45Å; L191-F336 HydrophobicContact CD1-CD1 4.27Å; L191-F336 HydrophobicContact CD1-CE1 4.35Å; G195-F336 WeakPolarHBondContact CA-O 3.45Å; P334-F336 PolarHBondContact O-N 3.06Å; F336-P338 HydrophobicContact CD1-CG 4.14Å; F336-P338 HydrophobicContact CE1-CB 3.98Å; F336-P338 HydrophobicContact CE1-CG 3.74Å; F336-P338 HydrophobicContact CZ-CB 4.45Å
337	K	88.4	Confident	80.4	Confident	128 Å²	128	65.7 Å²	65.7	56%	0.557	38%	0.375	S	S	*	.			trans	-99.5	117.6	170.4	-177.2	153.6	-178.9	151.6	0	110	E193 D194	E193-K337 VanDerWaalsContact O-CE 3.31Å; E193-K337 WeakPolarHBondContact O-CE 3.45Å; D194-K337 IonicContact OD1-NZ 2.89Å; D194-K337 PolarHBondContact OD1-NZ 3.15Å
338	P	84.1	Confident	79.6	Confident	3 Å²	3	66.1 Å²	66.1	2%	0.019	38%	0.377	C	S	.	.			trans	-61.4	142.4	-178.2	-24.1	33.5	0	0	0	112.9	L191 N192 F336 C340	L191-P338 HydrophobicContact CB-CG 4.28Å; L191-P338 HydrophobicContact CD1-CG 4.39Å; N192-P338 WeakPolarHBondContact O-CG 3.49Å; F336-P338 HydrophobicContact CD1-CG 4.14Å; F336-P338 HydrophobicContact CE1-CB 3.98Å; F336-P338 HydrophobicContact CE1-CG 3.74Å; F336-P338 HydrophobicContact CZ-CB 4.45Å; P338-C340 PolarHBondContact O-N 3.13Å; P338-C340 PolarHBondContact O-SG 2.68Å
339	P	76.4	Confident	78.8	Confident	75 Å²	75	64 Å²	64	49%	0.487	37%	0.366	S	S	.	.			trans	-67.7	106.9	177.4	27.6	-33.2	0	0	0	110.3	N348	P339-N348 PolarHBondContact O-ND2 2.91Å
340	C	71.5	Confident	77.8	Confident	49 Å²	49	61.3 Å²	61.3	33%	0.331	35%	0.351	S	S	.	.			trans	-128.5	109.3	175.2	-55.4	0	0	0	0	108	P338	P338-C340 PolarHBondContact O-N 3.13Å; P338-C340 PolarHBondContact O-SG 2.68Å
341	S	60.7	Low	77	Confident	108 Å²	108	60.7 Å²	60.7	76%	0.755	34%	0.34	S	S	*	.			trans	-106.6	-27.4	-176.5	71.1	0	0	0	0	113.9	D345	S341-D345 VanDerWaalsContact CA-OD2 3.29Å; S341-D345 WeakPolarHBondContact CA-OD2 3.29Å; S341-D345 WeakPolarHBondContact CB-OD2 3.33Å; S341-D345 PolarHBondContact N-OD2 3.39Å; S341-D345 PolarHBondContact OG-OD2 3.23Å
342	S	63.2	Low	76	Confident	55 Å²	55	59.3 Å²	59.3	39%	0.385	32%	0.324	S	S	.	.	S	Bend	trans	-131.8	159.9	175.2	96.2	0	0	0	0	112.7	N344 D345	S342-N344 PolarHBondContact O-N 3.08Å; S342-N344 VanDerWaalsContact O-N 3.12Å; S342-N344 PolarHBondContact OG-N 3.49Å; S342-D345 WeakPolarHBondContact CB-OD1 3.41Å; S342-D345 PolarHBondContact N-OD1 3.49Å; S342-D345 PolarHBondContact N-OD2 3.28Å; S342-D345 WeakPolarHBondContact O-CB 3.32Å; S342-D345 PolarHBondContact O-N 3.03Å; S342-D345 PolarHBondContact OG-OD1 2.96Å
343	I	60.1	Low	75.3	Confident	113 Å²	113	59.7 Å²	59.7	58%	0.579	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-24.9	-177.7	-157.3	174.5	0	0	0	113.4	L86 R141	L86-I343 WeakPolarHBondContact CD1-O 3.23Å; R141-I343 PolarHBondContact NE-O 3.2Å; R141-I343 PolarHBondContact NH2-O 3.37Å
344	N	56.8	Low	74.8	Confident	46 Å²	46	52.4 Å²	52.4	25%	0.246	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.4	15.9	-179.9	-54.2	-59.6	0	0	0	112.6	R76 S342 I346	R76-N344 PolarHBondContact NH2-ND2 2.96Å; R76-N344 PolarHBondContact NH2-OD1 3.14Å; S342-N344 PolarHBondContact O-N 3.08Å; S342-N344 VanDerWaalsContact O-N 3.12Å; S342-N344 PolarHBondContact OG-N 3.49Å; N344-I346 PolarHBondContact O-N 3.43Å; N344-I346 VanDerWaalsContact O-N 3.09Å
345	D	64.4	Low	74.1	Confident	20 Å²	20	56.5 Å²	56.5	11%	0.107	32%	0.319	C	S	.	.			trans	-64.6	114.9	-173.6	-86.8	10.3	0	0	0	112.9	S341 S342 L347	S341-D345 VanDerWaalsContact CA-OD2 3.29Å; S341-D345 WeakPolarHBondContact CA-OD2 3.29Å; S341-D345 WeakPolarHBondContact CB-OD2 3.33Å; S341-D345 PolarHBondContact N-OD2 3.39Å; S341-D345 PolarHBondContact OG-OD2 3.23Å; S342-D345 WeakPolarHBondContact CB-OD1 3.41Å; S342-D345 PolarHBondContact N-OD1 3.49Å; S342-D345 PolarHBondContact N-OD2 3.28Å; S342-D345 WeakPolarHBondContact O-CB 3.32Å; S342-D345 PolarHBondContact O-N 3.03Å; S342-D345 PolarHBondContact OG-OD1 2.96Å; D345-L347 HydrophobicContact CB-CD1 4.45Å; D345-L347 HydrophobicContact CB-CG 4.34Å; D345-L347 WeakPolarHBondContact OD2-CD1 3.41Å
346	I	73.5	Confident	73.8	Confident	29 Å²	29	57.7 Å²	57.7	15%	0.149	32%	0.316	C	S	.	.			trans	-98.1	17.2	173.5	47.9	160	0	0	0	112	Y62 L74 N344 N348 F349 T354	Y62-I346 HydrophobicContact CD1-CD1 3.76Å; Y62-I346 HydrophobicContact CD2-CD1 4.34Å; Y62-I346 HydrophobicContact CD2-CG2 3.87Å; Y62-I346 HydrophobicContact CE1-CD1 3.65Å; Y62-I346 HydrophobicContact CE2-CD1 4.24Å; Y62-I346 HydrophobicContact CE2-CG2 4.3Å; Y62-I346 HydrophobicContact CG-CD1 4.11Å; Y62-I346 HydrophobicContact CG-CG2 4.21Å; L74-I346 HydrophobicContact CD2-CG2 3.9Å; N344-I346 PolarHBondContact O-N 3.43Å; N344-I346 VanDerWaalsContact O-N 3.09Å; I346-N348 PolarHBondContact O-N 2.82Å; I346-F349 PolarHBondContact O-N 3.3Å; I346-T354 HydrophobicContact CB-CG2 4.09Å; I346-T354 HydrophobicContact CD1-CG2 4.13Å; I346-T354 HydrophobicContact CG2-CG2 4.44Å
347	L	75.6	Confident	73.5	Confident	98 Å²	98	60.9 Å²	60.9	51%	0.513	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-32.3	-175.9	-67.1	175.3	0	0	0	112.9	D345	D345-L347 HydrophobicContact CB-CD1 4.45Å; D345-L347 HydrophobicContact CB-CG 4.34Å; D345-L347 WeakPolarHBondContact OD2-CD1 3.41Å
348	N	78	Confident	73.2	Confident	9 Å²	9	56.5 Å²	56.5	5%	0.048	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-7.3	-179	-56.6	-49.5	0	0	0	113.8	R141 G142 P339 I346	R141-N348 WeakPolarHBondContact O-CB 3.48Å; R141-N348 PolarHBondContact O-ND2 3.39Å; G142-N348 WeakPolarHBondContact O-CB 3.18Å; P339-N348 PolarHBondContact O-ND2 2.91Å; I346-N348 PolarHBondContact O-N 2.82Å
349	F	79	Confident	73.2	Confident	18 Å²	18	61.7 Å²	61.7	8%	0.079	35%	0.348	C	S	.	.	S	Bend	trans	-102.2	141.8	-179.1	-67.7	-91.5	0	0	0	111.8	I64 F139 L140 I346 S351 T354 R457	I64-F349 HydrophobicContact CB-CD1 3.79Å; I64-F349 HydrophobicContact CB-CE1 4.17Å; I64-F349 HydrophobicContact CB-CG 4.36Å; I64-F349 HydrophobicContact CD1-CE1 4.15Å; I64-F349 HydrophobicContact CG2-CD1 4.21Å; I64-F349 HydrophobicContact CG2-CG 4.33Å; F139-F349 HydrophobicContact CD2-CZ 4.2Å; F139-F349 HydrophobicContact CE2-CD2 4.43Å; F139-F349 HydrophobicContact CE2-CE1 4.12Å; F139-F349 AromaticContact CE2-CE2 3.5Å; F139-F349 HydrophobicContact CE2-CE2 3.5Å; F139-F349 AromaticContact CE2-CZ 3.3Å; F139-F349 HydrophobicContact CE2-CZ 3.3Å; F139-F349 HydrophobicContact CZ-CD2 4.29Å; F139-F349 AromaticContact CZ-CE2 3.46Å; F139-F349 HydrophobicContact CZ-CE2 3.46Å; F139-F349 VanDerWaalsContact CZ-CE2 3.46Å; F139-F349 AromaticContact CZ-CZ 3.79Å; F139-F349 HydrophobicContact CZ-CZ 3.79Å; L140-F349 VanDerWaalsContact O-CZ 3.22Å; L140-F349 WeakPolarHBondContact O-CZ 3.35Å; I346-F349 PolarHBondContact O-N 3.3Å; F349-S351 PolarHBondContact O-N 3.39Å; F349-T354 HydrophobicContact CB-CG2 3.71Å; F349-R457 PolarHBondContact O-NH1 2.68Å; F349-R457 PolarHBondContact O-NH2 3.2Å
350	D	72.4	Confident	73.6	Confident	66 Å²	66	59.6 Å²	59.6	35%	0.353	33%	0.333	S	S	.	.			trans	-61.7	127.9	-175.3	-176.3	2.1	0	0	0	113.7	E352 Y353 T354	D350-E352 PolarHBondContact O-N 2.85Å; D350-E352 PolarHBondContact OD1-N 2.78Å; D350-Y353 HydrophobicContact CB-CD2 3.89Å; D350-Y353 HydrophobicContact CB-CE2 4.03Å; D350-Y353 PolarHBondContact O-N 3.49Å; D350-T354 PolarHBondContact O-N 2.86Å
351	S	71.8	Confident	74	Confident	30 Å²	30	58.9 Å²	58.9	21%	0.21	33%	0.328	C	S	.	.	H	α-helix	trans	-55.6	-28.2	173.4	40.6	0	0	0	0	114	F349 Y353 T354 S355 R457	F349-S351 PolarHBondContact O-N 3.39Å; S351-Y353 PolarHBondContact O-N 2.88Å; S351-Y353 VanDerWaalsContact O-N 3.1Å; S351-T354 PolarHBondContact O-N 3Å; S351-S355 VanDerWaalsContact O-CB 3.28Å; S351-S355 WeakPolarHBondContact O-CB 3.2Å; S351-S355 PolarHBondContact O-N 3.42Å; S351-S355 VanDerWaalsContact O-N 3.08Å; S351-S355 PolarHBondContact O-OG 3.21Å; S351-R457 VanDerWaalsContact CB-NE 3.34Å; S351-R457 WeakPolarHBondContact OG-CB 3.46Å; S351-R457 WeakPolarHBondContact OG-CD 3.46Å; S351-R457 WeakPolarHBondContact OG-CG 3.24Å; S351-R457 PolarHBondContact OG-NE 3.19Å
352	E	69.9	Low	74.8	Confident	64 Å²	64	59 Å²	59	30%	0.299	33%	0.327	S	S	.	.	H	α-helix	trans	-54.6	-31.2	175.3	-154	-152.1	101.9	0	0	110.7	D350 R356 K791	D350-E352 PolarHBondContact O-N 2.85Å; D350-E352 PolarHBondContact OD1-N 2.78Å; E352-R356 PolarHBondContact O-NE 2.81Å; E352-R356 PolarHBondContact O-NH2 3.13Å; E352-R356 IonicContact OE1-CZ 2.84Å; E352-R356 IonicContact OE1-NH2 3.69Å; E352-R356 PolarHBondContact OE1-NH2 2.64Å; E352-K791 IonicContact OE1-NZ 3.4Å; E352-K791 PolarHBondContact OE1-NZ 2.99Å; E352-K791 IonicContact OE2-NZ 2.83Å; E352-K791 PolarHBondContact OE2-NZ 3.1Å
353	Y	76.1	Confident	75.2	Confident	54 Å²	54	57.8 Å²	57.8	21%	0.212	32%	0.318	C	S	.	.	H	α-helix	trans	-95.1	-51.4	173.7	-47.9	-62.1	0	0	0	112.1	V63 Q66 D350 S351 S355 R356	V63-Y353 CarbonylContact O-C 3.49Å; V63-Y353 VanDerWaalsContact O-CB 3.25Å; V63-Y353 WeakPolarHBondContact O-CB 3.35Å; Q66-Y353 HydrophobicContact CB-CD1 4.08Å; Q66-Y353 HydrophobicContact CB-CE1 3.87Å; D350-Y353 HydrophobicContact CB-CD2 3.89Å; D350-Y353 HydrophobicContact CB-CE2 4.03Å; D350-Y353 PolarHBondContact O-N 3.49Å; S351-Y353 PolarHBondContact O-N 2.88Å; S351-Y353 VanDerWaalsContact O-N 3.1Å; Y353-S355 PolarHBondContact O-N 3.24Å; Y353-S355 VanDerWaalsContact O-N 3.11Å; Y353-R356 VanDerWaalsContact O-CB 3.27Å; Y353-R356 WeakPolarHBondContact O-CB 3.41Å; Y353-R356 WeakPolarHBondContact O-CG 3.15Å; Y353-R356 PolarHBondContact O-N 3.25Å
354	T	79.8	Confident	75.7	Confident	15 Å²	15	57 Å²	57	9%	0.092	32%	0.32	C	S	.	.	H	α-helix	trans	-70.9	-13.4	-167.9	74	0	0	0	0	114.3	Y62 V63 I64 I346 F349 D350 S351	Y62-T354 WeakPolarHBondContact CD1-O 3.2Å; V63-T354 VanDerWaalsContact O-CA 3.22Å; V63-T354 WeakPolarHBondContact O-CA 3.37Å; V63-T354 PolarHBondContact O-N 3.16Å; V63-T354 VanDerWaalsContact O-N 3.13Å; I64-T354 HydrophobicContact CG2-CG2 4.49Å; I346-T354 HydrophobicContact CB-CG2 4.09Å; I346-T354 HydrophobicContact CD1-CG2 4.13Å; I346-T354 HydrophobicContact CG2-CG2 4.44Å; F349-T354 HydrophobicContact CB-CG2 3.71Å; D350-T354 PolarHBondContact O-N 2.86Å; S351-T354 PolarHBondContact O-N 3Å
355	S	78.2	Confident	76.7	Confident	96 Å²	96	58.8 Å²	58.8	67%	0.671	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-9.9	170.5	62.5	0	0	0	0	113.9	S351 Y353	S351-S355 VanDerWaalsContact O-CB 3.28Å; S351-S355 WeakPolarHBondContact O-CB 3.2Å; S351-S355 PolarHBondContact O-N 3.42Å; S351-S355 VanDerWaalsContact O-N 3.08Å; S351-S355 PolarHBondContact O-OG 3.21Å; Y353-S355 PolarHBondContact O-N 3.24Å; Y353-S355 VanDerWaalsContact O-N 3.11Å
356	R	82.4	Confident	77.2	Confident	83 Å²	83	58.6 Å²	58.6	31%	0.313	34%	0.335	S	S	.	.	S	Bend	trans	-81	141.2	-179.1	-60.3	-177.7	-174.7	174.6	6.8	111	V63 E352 Y353	V63-R356 HydrophobicContact CB-CB 4.37Å; V63-R356 HydrophobicContact CG2-CB 3.97Å; E352-R356 PolarHBondContact O-NE 2.81Å; E352-R356 PolarHBondContact O-NH2 3.13Å; E352-R356 IonicContact OE1-CZ 2.84Å; E352-R356 IonicContact OE1-NH2 3.69Å; E352-R356 PolarHBondContact OE1-NH2 2.64Å; Y353-R356 VanDerWaalsContact O-CB 3.27Å; Y353-R356 WeakPolarHBondContact O-CB 3.41Å; Y353-R356 WeakPolarHBondContact O-CG 3.15Å; Y353-R356 PolarHBondContact O-N 3.25Å
357	T	81.3	Confident	77.4	Confident	119 Å²	119	60.4 Å²	60.4	73%	0.73	35%	0.351	S	S	*	.			trans	-53.2	123.7	168.1	-44.7	0	0	0	0	110.2	H359	T357-H359 VanDerWaalsContact C-N 3.25Å; T357-H359 PolarHBondContact O-N 3.47Å
358	P	82.4	Confident	77.5	Confident	37 Å²	37	59.9 Å²	59.9	24%	0.24	36%	0.361	C	S	.	.			trans	-78.7	71.8	-174.1	35.9	-40.5	0	0	0	111	L60 L61 F73	L60-P358 HydrophobicContact CB-CB 4.14Å; L60-P358 WeakPolarHBondContact CB-O 3.38Å; L60-P358 WeakPolarHBondContact O-CG 3.32Å; L61-P358 WeakPolarHBondContact O-CG 3.47Å; F73-P358 HydrophobicContact CD1-CB 4.31Å
359	H	84.9	Confident	77.3	Confident	111 Å²	111	63.6 Å²	63.6	51%	0.514	39%	0.387	S	S	.	.			trans	-113.1	122.7	-175	-175.4	-91.9	0	0	0	113	K71 T357 S361	K71-H359 PolarHBondContact NZ-O 2.97Å; T357-H359 VanDerWaalsContact C-N 3.25Å; T357-H359 PolarHBondContact O-N 3.47Å; H359-S361 PolarHBondContact ND1-N 3.22Å; H359-S361 PolarHBondContact O-N 2.74Å
360	D	83.3	Confident	76.9	Confident	32 Å²	32	62.7 Å²	62.7	17%	0.171	38%	0.383	C	S	.	.			trans	-85.7	78.5	175	-175.7	24.7	0	0	0	112.1	L60 F73 K132 Y134	L60-D360 HydrophobicContact CD1-CB 4.08Å; F73-D360 HydrophobicContact CE2-CB 4.43Å; F73-D360 HydrophobicContact CZ-CB 4.23Å; K132-D360 WeakPolarHBondContact CE-OD1 3.16Å; K132-D360 PolarHBondContact NZ-O 2.78Å; K132-D360 VanDerWaalsContact NZ-O 3.13Å; K132-D360 IonicContact NZ-OD1 3.22Å; K132-D360 PolarHBondContact NZ-OD1 2.86Å; K132-D360 IonicContact NZ-OD2 3.71Å; K132-D360 PolarHBondContact NZ-OD2 2.71Å; Y134-D360 WeakPolarHBondContact CE1-OD2 3.41Å; Y134-D360 PolarHBondContact OH-OD2 3.24Å
361	S	81.1	Confident	77.2	Confident	33 Å²	33	62.7 Å²	62.7	23%	0.231	38%	0.381	C	S	.	.			trans	-42.9	128.5	-178.5	61.7	0	0	0	0	113.2	K93 K132 H359	K93-S361 WeakPolarHBondContact CE-OG 3.41Å; K93-S361 PolarHBondContact NZ-OG 3.31Å; K132-S361 WeakPolarHBondContact CE-O 3.38Å; K132-S361 PolarHBondContact NZ-O 2.91Å; H359-S361 PolarHBondContact ND1-N 3.22Å; H359-S361 PolarHBondContact O-N 2.74Å
362	P	76.8	Confident	77.5	Confident	112 Å²	112	64.1 Å²	64.1	73%	0.727	40%	0.395	S	S	*	.			trans	-49	152.9	171.5	-29.4	36	0	0	0	113.1
363	C	70.7	Confident	78	Confident	29 Å²	29	64 Å²	64	20%	0.196	40%	0.396	C	S	.	.			trans	-139.2	136.2	178.9	-177	0	0	0	0	108.6	K93 K132	K93-C363 HydrophobicContact CD-CB 4.4Å; K93-C363 HydrophobicContact CG-CB 4.35Å; K132-C363 HydrophobicContact CG-CB 4.19Å
364	P	72.4	Confident	78.4	Confident	96 Å²	96	61.4 Å²	61.4	62%	0.623	39%	0.386	S	S	*	.	P	Polyproline II helix	trans	-52.7	150.4	169.7	-26	35.1	0	0	0	111.9	G131	G131-P364 WeakPolarHBondContact CA-O 3.44Å
365	P	76.6	Confident	78.4	Confident	84 Å²	84	69.5 Å²	69.5	55%	0.545	41%	0.414	S	S	.	.	P	Polyproline II helix	trans	-58.9	145.3	172.3	27.2	-35.4	0	0	0	110.2	E130	E130-P365 HydrophobicContact CB-CB 3.93Å
366	A	75.2	Confident	78.6	Confident	15 Å²	15	71.3 Å²	71.3	12%	0.124	41%	0.412	C	S	.	.	P	Polyproline II helix	trans	-78.6	160	172.7	0	0	0	0	0	110.8	K94 E130 A370	K94-A366 HydrophobicContact CB-CB 3.61Å; E130-A366 PolarHBondContact O-N 2.78Å; A366-A370 HydrophobicContact CB-CB 3.73Å
367	S	78.3	Confident	78.8	Confident	68 Å²	68	67.4 Å²	67.4	48%	0.476	40%	0.397	S	S	.	.	P	Polyproline II helix	trans	-54.2	150.5	173.5	62.1	0	0	0	0	111.6	S369 A370 H371	S367-S369 PolarHBondContact O-N 2.78Å; S367-S369 VanDerWaalsContact O-N 3.12Å; S367-S369 PolarHBondContact OG-OG 3.41Å; S367-A370 WeakPolarHBondContact O-CA 3.5Å; S367-A370 VanDerWaalsContact O-CB 3.28Å; S367-A370 WeakPolarHBondContact O-CB 3.46Å; S367-A370 PolarHBondContact O-N 2.85Å; S367-A370 WeakPolarHBondContact OG-CB 3.24Å; S367-A370 PolarHBondContact OG-N 3.06Å; S367-H371 PolarHBondContact O-N 3.24Å
368	A	77	Confident	79.2	Confident	87 Å²	87	65.3 Å²	65.3	72%	0.719	39%	0.388	S	S	*	.	H	α-helix	trans	-52.4	-40.6	-177.2	0	0	0	0	0	113.1	H371 A372	A368-H371 PolarHBondContact O-N 2.86Å; A368-A372 WeakPolarHBondContact O-CB 3Å; A368-A372 PolarHBondContact O-N 3.38Å
369	S	74.5	Confident	79.5	Confident	86 Å²	86	65.4 Å²	65.4	60%	0.601	38%	0.384	S	S	*	.	H	α-helix	trans	-64.7	-37.4	174.4	55.4	0	0	0	0	113.8	S367 L373	S367-S369 PolarHBondContact O-N 2.78Å; S367-S369 VanDerWaalsContact O-N 3.12Å; S367-S369 PolarHBondContact OG-OG 3.41Å; S369-L373 PolarHBondContact O-N 3.36Å
370	A	71.2	Confident	79.6	Confident	0 Å²	0	61.9 Å²	61.9	0%	0	37%	0.37	C	S	.	.	H	α-helix	trans	-68.1	-36.2	174.3	0	0	0	0	0	112.3	A366 S367 F374	A366-A370 HydrophobicContact CB-CB 3.73Å; S367-A370 WeakPolarHBondContact O-CA 3.5Å; S367-A370 VanDerWaalsContact O-CB 3.28Å; S367-A370 WeakPolarHBondContact O-CB 3.46Å; S367-A370 PolarHBondContact O-N 2.85Å; S367-A370 WeakPolarHBondContact OG-CB 3.24Å; S367-A370 PolarHBondContact OG-N 3.06Å; A370-F374 VanDerWaalsContact O-CD2 3.3Å; A370-F374 WeakPolarHBondContact O-CD2 3.24Å
371	H	76.6	Confident	79.7	Confident	65 Å²	65	60.8 Å²	60.8	30%	0.301	37%	0.365	S	S	.	.	H	α-helix	trans	-73.1	-42.3	176.9	-166.6	109.4	0	0	0	111.5	K94 E130 S367 A368 L373 F374	K94-H371 PolarHBondContact NZ-CE1 3.27Å; K94-H371 VanDerWaalsContact NZ-CE1 3.28Å; K94-H371 PolarHBondContact NZ-ND1 3.45Å; E130-H371 PolarHBondContact O-ND1 3.21Å; S367-H371 PolarHBondContact O-N 3.24Å; A368-H371 PolarHBondContact O-N 2.86Å; H371-L373 VanDerWaalsContact C-N 3.27Å; H371-L373 PolarHBondContact O-N 2.89Å; H371-F374 PolarHBondContact O-N 3.08Å
372	A	79.1	Confident	79.5	Confident	61 Å²	61	63.7 Å²	63.7	50%	0.504	38%	0.383	S	S	.	.	H	α-helix	trans	-59.6	-32.8	-179.8	0	0	0	0	0	113.6	A368 F374 R375	A368-A372 WeakPolarHBondContact O-CB 3Å; A368-A372 PolarHBondContact O-N 3.38Å; A372-F374 PolarHBondContact O-N 2.92Å; A372-R375 VanDerWaalsContact O-CB 3.27Å; A372-R375 WeakPolarHBondContact O-CB 3.31Å; A372-R375 PolarHBondContact O-N 2.92Å
373	L	80.9	Confident	79	Confident	60 Å²	60	61.5 Å²	61.5	31%	0.314	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-24.6	173.1	-74.8	169.9	0	0	0	113.5	V99 R102 L103 K106 S369 H371	V99-L373 HydrophobicContact CG1-CD1 4.4Å; R102-L373 HydrophobicContact CB-CD1 4.31Å; L103-L373 HydrophobicContact CD2-CD2 4.29Å; K106-L373 WeakPolarHBondContact CD-O 3.5Å; S369-L373 PolarHBondContact O-N 3.36Å; H371-L373 VanDerWaalsContact C-N 3.27Å; H371-L373 PolarHBondContact O-N 2.89Å
374	F	83	Confident	78.7	Confident	1 Å²	1	62.2 Å²	62.2	0%	0.004	38%	0.381	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.7	15.4	175.9	-62.6	-73.5	0	0	0	113.2	K94 L97 R102 T105 Q128 V133 A370 H371 A372 E376 F377	K94-F374 HydrophobicContact CB-CE2 4.42Å; K94-F374 HydrophobicContact CD-CD2 4.02Å; K94-F374 HydrophobicContact CD-CE2 4.32Å; K94-F374 HydrophobicContact CG-CD2 4.02Å; K94-F374 HydrophobicContact CG-CE2 3.81Å; L97-F374 HydrophobicContact CD1-CZ 4.08Å; R102-F374 HydrophobicContact CB-CE1 4.45Å; R102-F374 HydrophobicContact CB-CE2 3.99Å; R102-F374 HydrophobicContact CB-CZ 3.67Å; R102-F374 HydrophobicContact CG-CE2 3.8Å; R102-F374 HydrophobicContact CG-CZ 3.77Å; T105-F374 HydrophobicContact CG2-CE1 4.34Å; Q128-F374 PolarHBondContact NE2-O 3.32Å; Q128-F374 VanDerWaalsContact OE1-CB 3.23Å; Q128-F374 PolarHBondContact OE1-O 3.37Å; V133-F374 HydrophobicContact CG1-CB 4.47Å; V133-F374 HydrophobicContact CG1-CD1 3.71Å; V133-F374 HydrophobicContact CG1-CD2 4.22Å; V133-F374 HydrophobicContact CG1-CE1 3.86Å; V133-F374 HydrophobicContact CG1-CE2 4.35Å; V133-F374 HydrophobicContact CG1-CG 3.89Å; V133-F374 HydrophobicContact CG1-CZ 4.17Å; V133-F374 HydrophobicContact CG2-CE1 4.41Å; A370-F374 VanDerWaalsContact O-CD2 3.3Å; A370-F374 WeakPolarHBondContact O-CD2 3.24Å; H371-F374 PolarHBondContact O-N 3.08Å; A372-F374 PolarHBondContact O-N 2.92Å; F374-E376 PolarHBondContact O-N 2.89Å; F374-F377 HydrophobicContact CB-CB 4.17Å; F374-F377 AromaticContact CD1-CD2 3.84Å; F374-F377 HydrophobicContact CD1-CD2 3.84Å; F374-F377 HydrophobicContact CD1-CE2 4.29Å; F374-F377 HydrophobicContact CD1-CG 4.31Å; F374-F377 HydrophobicContact CE1-CD2 4.49Å; F374-F377 WeakPolarHBondContact O-CB 3.44Å; F374-F377 PolarHBondContact O-N 2.89Å; F374-F377 VanDerWaalsContact O-N 3.1Å
375	R	81.1	Confident	78	Confident	184 Å²	184	63 Å²	63	69%	0.694	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	139.2	165.4	-169.4	175.6	179.6	166.6	1.8	109.2	K106 A372 F377	K106-R375 PolarHBondContact NZ-O 2.68Å; A372-R375 VanDerWaalsContact O-CB 3.27Å; A372-R375 WeakPolarHBondContact O-CB 3.31Å; A372-R375 PolarHBondContact O-N 2.92Å; R375-F377 PolarHBondContact O-N 2.8Å
376	E	82.6	Confident	76.1	Confident	135 Å²	135	62.4 Å²	62.4	63%	0.631	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.2	15.6	-173.9	-61.5	142.2	-169.5	0	0	115.9	R109 F374 S378	R109-E376 VanDerWaalsContact CZ-O 3.23Å; R109-E376 PolarHBondContact NH1-O 3.2Å; R109-E376 PolarHBondContact NH2-O 3.37Å; F374-E376 PolarHBondContact O-N 2.89Å; E376-S378 VanDerWaalsContact C-N 3.29Å; E376-S378 PolarHBondContact O-N 2.63Å
377	F	87.1	Confident	74.2	Confident	0 Å²	0	68.7 Å²	68.7	0%	0	40%	0.404	C	S	.	.			trans	-66.3	-26.6	178.9	-173.6	-94.2	0	0	0	114.2	T105 R109 A126 F127 Q128 V133 L135 F374 R375	T105-F377 HydrophobicContact CG2-CE2 4.15Å; T105-F377 HydrophobicContact CG2-CZ 4.33Å; R109-F377 HydrophobicContact CB-CD2 4.25Å; R109-F377 HydrophobicContact CB-CE2 3.74Å; R109-F377 HydrophobicContact CB-CZ 4.31Å; R109-F377 HydrophobicContact CG-CD2 4.17Å; R109-F377 HydrophobicContact CG-CE2 3.9Å; R109-F377 HydrophobicContact CG-CZ 4.19Å; R109-F377 VanDerWaalsContact NH1-C 3.28Å; R109-F377 PolarHBondContact NH1-O 3.35Å; A126-F377 HydrophobicContact CB-CD1 4.28Å; A126-F377 HydrophobicContact CB-CE1 3.94Å; A126-F377 HydrophobicContact CB-CZ 4.47Å; A126-F377 WeakPolarHBondContact CB-O 3.28Å; F127-F377 WeakPolarHBondContact O-CE1 3.29Å; Q128-F377 HydrophobicContact CB-CD1 4.32Å; V133-F377 HydrophobicContact CB-CD1 4.32Å; V133-F377 HydrophobicContact CB-CE1 3.72Å; V133-F377 HydrophobicContact CB-CZ 3.82Å; V133-F377 HydrophobicContact CG1-CD1 4.23Å; V133-F377 HydrophobicContact CG1-CE1 4.12Å; V133-F377 HydrophobicContact CG1-CZ 4.31Å; V133-F377 HydrophobicContact CG2-CZ 4.36Å; L135-F377 HydrophobicContact CD2-CE1 4.15Å; L135-F377 HydrophobicContact CD2-CE2 4.37Å; L135-F377 HydrophobicContact CD2-CZ 3.57Å; L135-F377 HydrophobicContact CG-CZ 4.1Å; F374-F377 HydrophobicContact CB-CB 4.17Å; F374-F377 AromaticContact CD1-CD2 3.84Å; F374-F377 HydrophobicContact CD1-CD2 3.84Å; F374-F377 HydrophobicContact CD1-CE2 4.29Å; F374-F377 HydrophobicContact CD1-CG 4.31Å; F374-F377 HydrophobicContact CE1-CD2 4.49Å; F374-F377 WeakPolarHBondContact O-CB 3.44Å; F374-F377 PolarHBondContact O-N 2.89Å; F374-F377 VanDerWaalsContact O-N 3.1Å; R375-F377 PolarHBondContact O-N 2.8Å
378	S	87.9	Confident	72	Confident	75 Å²	75	73.4 Å²	73.4	52%	0.524	42%	0.418	S	S	.	.			trans	-67	140.6	-177.5	-55.2	0	0	0	0	112.4	A126 E376	A126-S378 CarbonylContact O-C 3.59Å; A126-S378 VanDerWaalsContact O-CA 3.25Å; A126-S378 WeakPolarHBondContact O-CA 3.36Å; E376-S378 VanDerWaalsContact C-N 3.29Å; E376-S378 PolarHBondContact O-N 2.63Å
379	Y	89.4	Confident	69.8	Low	40 Å²	40	76.6 Å²	76.6	16%	0.157	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	147.4	-176.8	166.8	-99.4	0	0	0	111.2	T113 L123 Y125 A126 A381 P382	T113-Y379 HydrophobicContact CG2-CD1 3.7Å; T113-Y379 HydrophobicContact CG2-CD2 3.49Å; T113-Y379 VanDerWaalsContact CG2-CD2 3.49Å; T113-Y379 HydrophobicContact CG2-CE1 3.77Å; T113-Y379 HydrophobicContact CG2-CE2 3.56Å; T113-Y379 HydrophobicContact CG2-CG 3.54Å; L123-Y379 HydrophobicContact CD2-CD1 4.08Å; L123-Y379 HydrophobicContact CD2-CE1 4.25Å; L123-Y379 HydrophobicContact CG-CD1 4.29Å; L123-Y379 HydrophobicContact CG-CE1 4.24Å; Y125-Y379 WeakPolarHBondContact CA-O 3.48Å; A126-Y379 PolarHBondContact N-O 2.71Å; A126-Y379 PolarHBondContact O-N 3.22Å; Y379-A381 HydrophobicContact CE1-CB 4.13Å; Y379-A381 WeakPolarHBondContact OH-CA 3.4Å; Y379-P382 WeakPolarHBondContact OH-CD 3.19Å
380	V	87.1	Confident	67.8	Low	37 Å²	37	79 Å²	79	22%	0.224	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	132	170.8	179.7	0	0	0	0	107.2	V53 Y125 F384 F385	V53-V380 HydrophobicContact CG2-CG2 4.29Å; Y125-V380 HydrophobicContact CD1-CB 4.31Å; Y125-V380 HydrophobicContact CD1-CG1 3.97Å; Y125-V380 HydrophobicContact CD1-CG2 4.08Å; Y125-V380 HydrophobicContact CE1-CG1 3.72Å; Y125-V380 HydrophobicContact CE1-CG2 4.45Å; V380-F384 HydrophobicContact CG1-CB 4.47Å; V380-F384 HydrophobicContact CG1-CD2 4.03Å; V380-F385 HydrophobicContact CB-CE2 3.91Å; V380-F385 HydrophobicContact CB-CZ 3.88Å; V380-F385 HydrophobicContact CG1-CE2 3.69Å; V380-F385 HydrophobicContact CG1-CZ 3.75Å
381	A	84.4	Confident	65.9	Low	9 Å²	9	85.8 Å²	85.8	7%	0.074	47%	0.465	C	S	.	.			trans	-64.7	138.4	-175.9	0	0	0	0	0	113.1	H124 Y379 G383 F384	H124-A381 WeakPolarHBondContact O-CB 3.48Å; H124-A381 PolarHBondContact O-N 2.75Å; Y379-A381 HydrophobicContact CE1-CB 4.13Å; Y379-A381 WeakPolarHBondContact OH-CA 3.4Å; A381-G383 PolarHBondContact O-N 3.09Å; A381-F384 HydrophobicContact CB-CD2 4.13Å; A381-F384 HydrophobicContact CB-CE2 4.08Å; A381-F384 WeakPolarHBondContact O-CD2 3.38Å; A381-F384 PolarHBondContact O-N 2.59Å
382	P	78.3	Confident	63.8	Low	93 Å²	93	89.2 Å²	89.2	60%	0.604	49%	0.486	S	S	*	.	G	3₁₀ helix	trans	-51.7	-33.1	-177.5	-32.2	36.7	0	0	0	115.6	Y379 F384 F385	Y379-P382 WeakPolarHBondContact OH-CD 3.19Å; P382-F384 PolarHBondContact O-N 2.65Å; P382-F384 VanDerWaalsContact O-N 3.08Å; P382-F385 PolarHBondContact O-N 2.98Å
383	G	66.7	Low	61.9	Low	67 Å²	67	95 Å²	95	69%	0.691	50%	0.502	S	S	*	.	G	3₁₀ helix	trans	-58.8	-21.5	-177.8	0	0	0	0	0	115	A381	A381-G383 PolarHBondContact O-N 3.09Å
384	F	64.5	Low	59.5	Low	44 Å²	44	98.9 Å²	98.9	19%	0.193	52%	0.523	C	S	.	.	G	3₁₀ helix	trans	-78.8	-19	176.9	-61.3	-58.7	0	0	0	113.7	K81 D82 H124 Y125 V380 A381 P382	K81-F384 WeakPolarHBondContact CD-O 3.38Å; K81-F384 WeakPolarHBondContact CE-O 3.46Å; K81-F384 PolarHBondContact NZ-O 2.88Å; D82-F384 HydrophobicContact CB-CD1 4.46Å; D82-F384 HydrophobicContact CB-CE1 3.7Å; D82-F384 HydrophobicContact CB-CZ 4.28Å; H124-F384 HydrophobicContact CB-CE2 4.2Å; H124-F384 AromaticContact ND1-CE2 3.85Å; H124-F384 AromaticContact ND1-CZ 3.53Å; Y125-F384 HydrophobicContact CE1-CD2 4.15Å; Y125-F384 HydrophobicContact CE1-CE2 4.09Å; Y125-F384 AromaticContact CE2-CE2 3.88Å; Y125-F384 HydrophobicContact CE2-CE2 3.88Å; Y125-F384 HydrophobicContact CE2-CZ 4.13Å; Y125-F384 AromaticContact CZ-CD2 3.93Å; Y125-F384 AromaticContact CZ-CE2 3.51Å; Y125-F384 AromaticContact CZ-CZ 3.93Å; Y125-F384 WeakPolarHBondContact OH-CE2 3.1Å; Y125-F384 WeakPolarHBondContact OH-CZ 3.16Å; V380-F384 HydrophobicContact CG1-CB 4.47Å; V380-F384 HydrophobicContact CG1-CD2 4.03Å; A381-F384 HydrophobicContact CB-CD2 4.13Å; A381-F384 HydrophobicContact CB-CE2 4.08Å; A381-F384 WeakPolarHBondContact O-CD2 3.38Å; A381-F384 PolarHBondContact O-N 2.59Å; P382-F384 PolarHBondContact O-N 2.65Å; P382-F384 VanDerWaalsContact O-N 3.08Å
385	F	56	Low	57	Low	112 Å²	112	105.6 Å²	105.6	49%	0.491	57%	0.565	S	S	.	*	S	Bend	trans	-87.8	-9.1	-175.9	-62.1	-77.8	0	0	0	114.4	T50 V380 P382 E387	T50-F385 HydrophobicContact CG2-CE1 4.1Å; T50-F385 HydrophobicContact CG2-CZ 4.41Å; V380-F385 HydrophobicContact CB-CE2 3.91Å; V380-F385 HydrophobicContact CB-CZ 3.88Å; V380-F385 HydrophobicContact CG1-CE2 3.69Å; V380-F385 HydrophobicContact CG1-CZ 3.75Å; P382-F385 PolarHBondContact O-N 2.98Å; F385-E387 PolarHBondContact O-N 3.29Å
386	A	37.3	Very low	54.4	Low	71 Å²	71	102.8 Å²	102.8	59%	0.587	57%	0.568	S	S	*	*			trans	-78.1	118	176.8	0	0	0	0	0	111.6	K81	K81-A386 PolarHBondContact NZ-O 3.06Å
387	E	36.2	Very low	51.7	Low	147 Å²	147	101.8 Å²	101.8	69%	0.687	57%	0.571	S	S	*	*			trans	-170.5	160.3	144.8	-123.8	-179.7	-134.2	0	0	112.7	F385	F385-E387 PolarHBondContact O-N 3.29Å
388	H	32	Very low	48.8	Very low	167 Å²	167	107.4 Å²	107.4	77%	0.773	61%	0.606	S	S	*	*			trans	75.2	98.8	170.5	-75.9	62.1	0	0	0	119.5
389	N	29	Very low	46	Very low	155 Å²	155	111.2 Å²	111.2	83%	0.829	62%	0.62	S	S	*	*			trans	-147.4	129.9	138.1	-119.6	-18.3	0	0	0	111.2
390	N	33.8	Very low	43	Very low	135 Å²	135	114.9 Å²	114.9	72%	0.722	65%	0.651	S	S	*	*			trans	77.1	86.8	165.6	-61.5	-20	0	0	0	122.4
391	N	32	Very low	40	Very low	144 Å²	144	118.6 Å²	118.6	77%	0.77	68%	0.678	S	S	*	*				41.9	125	117.6	-65.1	-17.1	0	0	0	123.3
392	N	31	Very low	37.3	Very low	137 Å²	137	125 Å²	125	73%	0.733	71%	0.711	S	S	*	*			trans	52.6	104.3	138.2	-63.2	-11.8	0	0	0	121.1
393	H	38.7	Very low	35.2	Very low	183 Å²	183	128.6 Å²	128.6	85%	0.847	73%	0.725	S	S	*	*				-174.3	159.4	100.4	-101	-55.2	0	0	0	113.8
394	N	30.5	Very low	33.5	Very low	141 Å²	141	132.5 Å²	132.5	75%	0.754	73%	0.725	S	S	*	*			trans	-69.5	141.6	-178.2	-51.7	-38.9	0	0	0	112.6
395	T	31.7	Very low	32	Very low	142 Å²	142	136.9 Å²	136.9	87%	0.871	76%	0.755	S	S	*	*				176.6	170.7	109.6	30.4	0	0	0	0	112.8
396	T	26.6	Very low	30.7	Very low	124 Å²	124	136.8 Å²	136.8	76%	0.761	76%	0.76	S	S	*	*			trans	-78.1	167.4	-159	-33.9	0	0	0	0	115.7
397	T	26.5	Very low	30.6	Very low	115 Å²	115	141.6 Å²	141.6	71%	0.706	78%	0.775	S	S	*	*			trans	91.4	116.5	147.8	14.6	0	0	0	0	121
398	T	25.5	Very low	30.5	Very low	117 Å²	117	141 Å²	141	72%	0.718	78%	0.776	S	S	*	*			trans	74.5	138.8	141.3	48.3	0	0	0	0	123.1
399	N	29.1	Very low	30.6	Very low	155 Å²	155	140.7 Å²	140.7	83%	0.829	77%	0.773	S	S	*	*			trans	92.2	130.4	152.9	-62.4	-20.4	0	0	0	119.8
400	S	25.4	Very low	30.9	Very low	117 Å²	117	140.3 Å²	140.3	82%	0.818	77%	0.766	S	S	*	*			trans	-57.2	143.2	168.7	-43.6	0	0	0	0	112.5
401	C	24.8	Very low	30.8	Very low	115 Å²	115	139.6 Å²	139.6	78%	0.777	77%	0.766	S	S	*	*			trans	-167.9	145.4	134.3	-96.9	0	0	0	0	111.4
402	N	28	Very low	30.9	Very low	143 Å²	143	139.6 Å²	139.6	77%	0.765	77%	0.765	S	S	*	*			trans	9.6	131.9	148.6	-50.9	-11.3	0	0	0	119.1
403	N	33.1	Very low	30.9	Very low	170 Å²	170	140.6 Å²	140.6	91%	0.909	77%	0.771	S	S	*	*			trans	-108.3	113	155.7	-92.9	-22.2	0	0	0	111.1
404	H	32	Very low	30.7	Very low	148 Å²	148	135.2 Å²	135.2	69%	0.685	77%	0.765	S	S	*	*			trans	-62.1	156	163.8	-104.7	-116.3	0	0	0	111.5	N406	H404-N406 PolarHBondContact ND1-OD1 2.57Å
405	V	33.7	Very low	30.8	Very low	137 Å²	137	134.4 Å²	134.4	83%	0.83	77%	0.765	S	S	*	*			trans	-113.4	118.3	143.2	179.2	0	0	0	0	107.2
406	N	28.1	Very low	30.9	Very low	110 Å²	110	134.5 Å²	134.5	59%	0.588	76%	0.76	S	S	*	*			trans	-93.5	135.5	177.1	-87	-19.5	0	0	0	110.9	H404	H404-N406 PolarHBondContact ND1-OD1 2.57Å
407	L	34.5	Very low	31.1	Very low	172 Å²	172	134 Å²	134	90%	0.901	76%	0.757	S	S	*	*			trans	-123.6	107.1	157.3	-89.6	156.5	0	0	0	108.6
408	N	33.9	Very low	31.4	Very low	133 Å²	133	134 Å²	134	71%	0.711	76%	0.758	S	S	*	*			trans	-73	157.7	169.1	-71.5	-45.5	0	0	0	108.9
409	K	35.7	Very low	31.4	Very low	162 Å²	162	134 Å²	134	70%	0.704	76%	0.761	S	S	*	*			cis	-170.5	169.4	17.5	-138.2	171.7	163.5	-142.6	0	110.9
410	E	33.8	Very low	31.5	Very low	146 Å²	146	134.4 Å²	134.4	68%	0.682	76%	0.762	S	S	*	*			trans	74.1	132	148.1	-88.7	165.3	-137.2	0	0	117.7
411	V	32.5	Very low	31.7	Very low	120 Å²	120	133.8 Å²	133.8	73%	0.727	76%	0.758	S	S	*	*			cis	-156.4	152	21.7	-175	0	0	0	0	114.1
412	L	34.4	Very low	32	Very low	144 Å²	144	133.2 Å²	133.2	75%	0.754	76%	0.755	S	S	*	*			trans	82.7	90.3	153.1	-87.3	161.9	0	0	0	124.8
413	N	30.1	Very low	32.3	Very low	158 Å²	158	132.6 Å²	132.6	85%	0.845	76%	0.759	S	S	*	*				37.4	133.6	124.6	-61.1	-11	0	0	0	124.7
414	G	34	Very low	32	Very low	71 Å²	71	133.6 Å²	133.6	73%	0.732	76%	0.755	S	S	*	*			trans	-166.6	11.5	168.5	0	0	0	0	0	121.3
415	T	33.8	Very low	31.9	Very low	123 Å²	123	135.6 Å²	135.6	76%	0.755	77%	0.765	S	S	*	*			trans	40.6	133.8	160.3	52.9	0	0	0	0	124.5
416	N	32.5	Very low	31.6	Very low	144 Å²	144	138 Å²	138	77%	0.77	76%	0.764	S	S	*	*			trans	80.6	140	145.7	-62.2	-10.1	0	0	0	119.4
417	T	32.8	Very low	31.7	Very low	113 Å²	113	142.8 Å²	142.8	69%	0.693	78%	0.78	S	S	*	*			cis	-165.4	148.8	1	11.8	0	0	0	0	113.2
418	T	31.7	Very low	31.4	Very low	117 Å²	117	140.5 Å²	140.5	72%	0.718	77%	0.769	S	S	*	*			trans	49	114	149.6	56.2	0	0	0	0	121.2
419	C	26.2	Very low	31.4	Very low	116 Å²	116	144.2 Å²	144.2	78%	0.784	77%	0.774	S	S	*	*				78.2	120.2	71.1	-71.1	0	0	0	0	116.6
420	L	29.9	Very low	31.1	Very low	164 Å²	164	142.1 Å²	142.1	86%	0.859	77%	0.771	S	S	*	*				-179.5	116.8	124.9	-98.1	156.2	0	0	0	115.8
421	S	30	Very low	31.1	Very low	104 Å²	104	140.2 Å²	140.2	73%	0.727	77%	0.774	S	S	*	*			trans	43.7	128.9	141.5	58.8	0	0	0	0	124.3
422	S	30.7	Very low	31	Very low	103 Å²	103	144 Å²	144	72%	0.72	78%	0.775	S	S	*	*			trans	-82	-179.3	154.4	56.4	0	0	0	0	112.7
423	P	34.2	Very low	31.1	Very low	130 Å²	130	143.8 Å²	143.8	84%	0.844	77%	0.77	S	S	*	*				-141.9	172.1	114.7	35.6	-20.8	0	0	0	115.8
424	K	27.2	Very low	31.2	Very low	190 Å²	190	142.8 Å²	142.8	83%	0.826	76%	0.764	S	S	*	*			trans	-96.8	157	-178.2	-57.5	165	178.4	170.8	0	111.3
425	E	30.8	Very low	31.1	Very low	191 Å²	191	146.1 Å²	146.1	89%	0.893	77%	0.765	S	S	*	*			trans	-129.5	151.4	147.7	-74.3	-159.1	144.4	0	0	111.9
426	K	26.1	Very low	31.1	Very low	188 Å²	188	147.5 Å²	147.5	82%	0.817	77%	0.768	S	S	*	*			trans	-123.3	148.2	175	-70.5	178.6	174.1	-178.3	0	107.9
427	F	31.2	Very low	30.9	Very low	209 Å²	209	151.5 Å²	151.5	92%	0.917	77%	0.773	S	S	*	*			trans	-134.3	149.7	147.1	-99	-83.9	0	0	0	110.7
428	N	28.7	Very low	30.8	Very low	124 Å²	124	151.3 Å²	151.3	66%	0.663	78%	0.782	S	S	*	*			trans	-153.7	139.9	-169.6	177	31.5	0	0	0	107
429	Y	32.2	Very low	30.7	Very low	212 Å²	212	153.5 Å²	153.5	83%	0.831	79%	0.79	S	S	*	*			trans	-165.9	123.5	149.8	-115	-78.2	0	0	0	112.9
430	N	31.2	Very low	31.1	Very low	118 Å²	118	153.4 Å²	153.4	63%	0.631	79%	0.788	S	S	*	*			trans	-25.2	161	159.4	-33.3	-60.1	0	0	0	116
431	S	32.4	Very low	31	Very low	106 Å²	106	149.8 Å²	149.8	74%	0.741	78%	0.781	S	S	*	*			cis	-171.7	-174.1	24.8	64.3	0	0	0	0	108.9
432	R	30.3	Very low	31.1	Very low	200 Å²	200	153.8 Å²	153.8	76%	0.755	79%	0.788	S	S	*	*			cis	-170.4	169.7	1.7	-142.6	164.5	-178.8	175.4	2.7	110.4
433	H	36.2	Very low	31.3	Very low	138 Å²	138	155 Å²	155	64%	0.639	79%	0.791	S	S	*	*			trans	66.1	153.4	161.5	-59.6	-62.7	0	0	0	117.9
434	D	33.6	Very low	31.1	Very low	138 Å²	138	154.1 Å²	154.1	74%	0.738	79%	0.785	S	S	*	*			cis	-177	153.7	-31.2	-92.9	-6.6	0	0	0	104.7
435	D	31.3	Very low	31.3	Very low	141 Å²	141	153.6 Å²	153.6	75%	0.754	79%	0.786	S	S	*	*			cis	-162.9	-147.8	-19.3	-172.4	3.9	0	0	0	105.3
436	D	34.9	Very low	31.3	Very low	152 Å²	152	152.6 Å²	152.6	81%	0.813	79%	0.787	S	S	*	*			trans	89.2	140.9	161	-94.9	-30.1	0	0	0	121.3
437	R	27.8	Very low	31.6	Very low	228 Å²	228	151.5 Å²	151.5	86%	0.86	79%	0.789	S	S	*	*			trans	-119.7	152.1	-160	-58.4	158.1	164.5	146.8	-7.6	111.8
438	A	30.4	Very low	31.8	Very low	109 Å²	109	146.7 Å²	146.7	90%	0.901	78%	0.779	S	S	*	*			trans	-157.5	147.5	146.1	0	0	0	0	0	112.4
439	N	29.8	Very low	31.8	Very low	163 Å²	163	145.7 Å²	145.7	87%	0.872	78%	0.779	S	S	*	*			trans	-106.4	159.7	-168.6	-151.5	32.9	0	0	0	111.5
440	P	35	Very low	31.5	Very low	114 Å²	114	142.8 Å²	142.8	74%	0.74	78%	0.777	S	S	*	*			trans	-98.2	159.1	-172.9	37.8	-32.6	0	0	0	114.3
441	A	26.7	Very low	31.6	Very low	88 Å²	88	143.2 Å²	143.2	73%	0.727	78%	0.784	S	S	*	*			trans	-160	152	167.5	0	0	0	0	0	115.2
442	H	31.7	Very low	31.4	Very low	188 Å²	188	143.3 Å²	143.3	87%	0.87	78%	0.782	S	S	*	*			trans	76.9	129.1	161	-78.3	-73.4	0	0	0	123.4
443	V	35.8	Very low	31.2	Very low	128 Å²	128	139 Å²	139	78%	0.776	78%	0.778	S	S	*	*			trans	-132.1	145.1	166.8	-178.4	0	0	0	0	107
444	P	30.5	Very low	30.9	Very low	112 Å²	112	137.4 Å²	137.4	73%	0.727	78%	0.778	S	S	*	*				-135.6	137.3	126.1	11	11.8	0	0	0	111.7
445	E	29.7	Very low	30.5	Very low	179 Å²	179	133.9 Å²	133.9	84%	0.836	77%	0.768	S	S	*	*				67.6	102.6	82.8	-71	-169.5	146.9	0	0	115.7
446	D	31.7	Very low	30.4	Very low	170 Å²	170	129 Å²	129	91%	0.909	74%	0.739	S	S	*	*			trans	-173.4	136	132	-97.8	-28	0	0	0	111.9
447	L	32.2	Very low	30.2	Very low	164 Å²	164	127.3 Å²	127.3	86%	0.859	72%	0.721	S	S	*	*			trans	-112	-172	-179.6	-110.6	94.9	0	0	0	109.7
448	P	36	Very low	30.8	Very low	109 Å²	109	119.4 Å²	119.4	71%	0.708	69%	0.693	S	S	*	*			cis	-128.6	-145.2	-12.5	40.3	-18.9	0	0	0	110.1
449	P	27.7	Very low	31.5	Very low	103 Å²	103	119.8 Å²	119.8	67%	0.669	68%	0.679	S	S	*	*			cis	-135.2	157.8	-15.9	39.2	-20.2	0	0	0	118.7
450	L	25.6	Very low	32.5	Very low	150 Å²	150	119.3 Å²	119.3	79%	0.785	67%	0.665	S	S	*	*			trans	60.8	109.6	139.6	-69.1	167.9	0	0	0	124.6
451	T	34.5	Very low	33.6	Very low	128 Å²	128	114 Å²	114	79%	0.785	63%	0.63	S	S	*	*			trans	69	162	149.8	72.3	0	0	0	0	117.3
452	P	27.9	Very low	34.8	Very low	108 Å²	108	112.3 Å²	112.3	70%	0.701	62%	0.617	S	S	*	*			cis	-120.3	-130.5	-0.9	42.3	-26.2	0	0	0	111.7
453	T	27.1	Very low	36	Very low	108 Å²	108	107.1 Å²	107.1	66%	0.663	61%	0.614	S	S	*	*			trans	69.3	153.9	162.9	24.2	0	0	0	0	116.2
454	V	28.2	Very low	37.4	Very low	105 Å²	105	102.6 Å²	102.6	64%	0.636	59%	0.585	S	S	*	*			cis	60.6	68.3	25.9	-171	0	0	0	0	113.4
455	A	26.2	Very low	39.1	Very low	64 Å²	64	102.4 Å²	102.4	53%	0.529	59%	0.587	S	S	.	*			trans	-157.1	96.6	164.6	0	0	0	0	0	111.4
456	R	28.2	Very low	41.2	Very low	38 Å²	38	96.6 Å²	96.6	14%	0.143	58%	0.575	C	S	.	*			trans	45.1	90.1	135.6	-178	153.4	166.8	-154	22.6	117.9	F458 D508 K509 S510 R512	R456-F458 VanDerWaalsContact C-N 3.25Å; R456-F458 HydrophobicContact CB-CD2 4.44Å; R456-F458 HydrophobicContact CB-CE2 4.3Å; R456-F458 HydrophobicContact CG-CB 4.39Å; R456-F458 HydrophobicContact CG-CD2 3.01Å; R456-F458 HydrophobicContact CG-CE2 3.11Å; R456-F458 HydrophobicContact CG-CG 3.89Å; R456-F458 HydrophobicContact CG-CZ 4.1Å; R456-F458 PolarHBondContact O-N 3.15Å; R456-D508 VanDerWaalsContact NH1-CG 3.34Å; R456-D508 PolarHBondContact NH1-O 3.06Å; R456-D508 IonicContact NH1-OD1 3.5Å; R456-D508 PolarHBondContact NH1-OD1 3.42Å; R456-D508 VanDerWaalsContact NH1-OD1 3.09Å; R456-D508 VanDerWaalsContact NH2-C 3.27Å; R456-D508 PolarHBondContact NH2-O 3.12Å; R456-K509 WeakPolarHBondContact CB-O 3.46Å; R456-K509 VanDerWaalsContact CD-O 3.25Å; R456-K509 WeakPolarHBondContact CD-O 3.5Å; R456-K509 WeakPolarHBondContact CG-O 3.36Å; R456-K509 VanDerWaalsContact NH1-C 3.31Å; R456-S510 VanDerWaalsContact CB-C 3.46Å; R456-S510 WeakPolarHBondContact CB-O 3.48Å; R456-R512 PolarHBondContact NE-O 3.38Å; R456-R512 PolarHBondContact NH2-O 2.82Å
457	R	32	Very low	43.6	Very low	118 Å²	118	89.3 Å²	89.3	45%	0.445	54%	0.536	S	S	.	.			trans	-83	67.5	163.6	-154.8	-163.2	-151.2	165.3	11.4	111.4	F349 S351	F349-R457 PolarHBondContact O-NH1 2.68Å; F349-R457 PolarHBondContact O-NH2 3.2Å; S351-R457 VanDerWaalsContact CB-NE 3.34Å; S351-R457 WeakPolarHBondContact OG-CB 3.46Å; S351-R457 WeakPolarHBondContact OG-CD 3.46Å; S351-R457 WeakPolarHBondContact OG-CG 3.24Å; S351-R457 PolarHBondContact OG-NE 3.19Å
458	F	40.3	Very low	46.3	Very low	61 Å²	61	84.2 Å²	84.2	27%	0.268	51%	0.507	S	S	.	.			trans	-78.6	126.3	160.9	-64.2	-45	0	0	0	110	R456 R460 R512 D513	R456-F458 VanDerWaalsContact C-N 3.25Å; R456-F458 HydrophobicContact CB-CD2 4.44Å; R456-F458 HydrophobicContact CB-CE2 4.3Å; R456-F458 HydrophobicContact CG-CB 4.39Å; R456-F458 HydrophobicContact CG-CD2 3.01Å; R456-F458 HydrophobicContact CG-CE2 3.11Å; R456-F458 HydrophobicContact CG-CG 3.89Å; R456-F458 HydrophobicContact CG-CZ 4.1Å; R456-F458 PolarHBondContact O-N 3.15Å; F458-R460 PolarHBondContact O-N 3.34Å; F458-R512 WeakPolarHBondContact CD2-O 3.48Å; F458-R512 VanDerWaalsContact CE2-CA 3.42Å; F458-R512 WeakPolarHBondContact CE2-O 3.25Å; F458-D513 HydrophobicContact CD1-CB 3.32Å; F458-D513 WeakPolarHBondContact CD1-OD2 3.18Å; F458-D513 HydrophobicContact CD2-CB 3.99Å; F458-D513 HydrophobicContact CE1-CB 3.36Å; F458-D513 VanDerWaalsContact CE2-CA 3.45Å; F458-D513 HydrophobicContact CE2-CB 4.03Å; F458-D513 HydrophobicContact CG-CB 3.72Å; F458-D513 VanDerWaalsContact CG-CG 3.44Å; F458-D513 WeakPolarHBondContact CG-OD1 3.32Å; F458-D513 HydrophobicContact CZ-CB 3.76Å
459	L	45.4	Very low	48.7	Very low	117 Å²	117	84.9 Å²	84.9	61%	0.613	50%	0.497	S	S	*	.			trans	-44.3	130.8	170.2	-69.8	164.2	0	0	0	107.2	L461	L459-L461 PolarHBondContact O-N 2.9Å
460	R	50.8	Low	51.6	Low	153 Å²	153	84.4 Å²	84.4	58%	0.577	48%	0.484	S	S	*	.			trans	-50	145.5	163.8	-71.3	-175	175.8	-171.9	-3.5	107.5	F458 A462 R515 E538	F458-R460 PolarHBondContact O-N 3.34Å; R460-A462 HydrophobicContact CB-CB 3.85Å; R460-A462 PolarHBondContact O-N 2.99Å; R460-R515 PolarHBondContact O-NH1 2.83Å; R460-E538 VanDerWaalsContact CA-OE1 3.25Å; R460-E538 WeakPolarHBondContact CA-OE1 3.26Å
461	L	57.1	Low	54.6	Low	2 Å²	2	81.1 Å²	81.1	1%	0.01	47%	0.472	C	S	.	.	S	Bend	trans	-65.3	-1.6	174.9	-56.8	177.2	0	0	0	111.8	L459 G463 L464 V467 R515 V518 V536 E538 V543	L459-L461 PolarHBondContact O-N 2.9Å; L461-G463 PolarHBondContact O-N 3.49Å; L461-L464 HydrophobicContact CB-CD1 4.33Å; L461-L464 HydrophobicContact CD2-CD1 4.19Å; L461-L464 VanDerWaalsContact O-CB 3.31Å; L461-L464 WeakPolarHBondContact O-CB 3.04Å; L461-L464 PolarHBondContact O-N 2.89Å; L461-V467 HydrophobicContact CB-CB 4.43Å; L461-V467 HydrophobicContact CB-CG1 4.07Å; L461-V467 HydrophobicContact CB-CG2 3.88Å; L461-V467 HydrophobicContact CD1-CG1 4Å; L461-V467 HydrophobicContact CD1-CG2 4.07Å; L461-R515 HydrophobicContact CD2-CB 3.86Å; L461-R515 HydrophobicContact CD2-CG 4.04Å; L461-V518 HydrophobicContact CD1-CG1 4.38Å; L461-V518 HydrophobicContact CD1-CG2 4.28Å; L461-V536 HydrophobicContact CD1-CG1 3.74Å; L461-E538 WeakPolarHBondContact CB-OE2 3.46Å; L461-E538 HydrophobicContact CD1-CB 4.37Å; L461-E538 PolarHBondContact N-OE2 3.23Å; L461-V543 HydrophobicContact CD1-CG1 3.87Å; L461-V543 HydrophobicContact CD1-CG2 4.2Å
462	A	52.8	Low	57.3	Low	53 Å²	53	75.7 Å²	75.7	44%	0.438	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	-28.6	122.1	160.9	0	0	0	0	0	112.9	R460 Y469 R515	R460-A462 HydrophobicContact CB-CB 3.85Å; R460-A462 PolarHBondContact O-N 2.99Å; A462-Y469 WeakPolarHBondContact CA-OH 3.14Å; A462-Y469 PolarHBondContact N-OH 3.37Å; A462-Y469 VanDerWaalsContact N-OH 3.11Å; A462-R515 PolarHBondContact O-NH1 3.24Å; A462-R515 PolarHBondContact O-NH2 3.16Å
463	G	55.5	Low	60.4	Low	79 Å²	79	73.8 Å²	73.8	81%	0.814	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	99.3	-22.2	-172.7	0	0	0	0	0	114.7	L461	L461-G463 PolarHBondContact O-N 3.49Å
464	L	66.3	Low	63.5	Low	33 Å²	33	72.4 Å²	72.4	17%	0.173	42%	0.417	C	S	.	.			trans	-83.1	125.6	172.3	-63.7	175.9	0	0	0	110.5	L461 V467 R515 V518 E519	L461-L464 HydrophobicContact CB-CD1 4.33Å; L461-L464 HydrophobicContact CD2-CD1 4.19Å; L461-L464 VanDerWaalsContact O-CB 3.31Å; L461-L464 WeakPolarHBondContact O-CB 3.04Å; L461-L464 PolarHBondContact O-N 2.89Å; L464-V467 HydrophobicContact CB-CG2 3.99Å; L464-R515 HydrophobicContact CD1-CG 4.15Å; L464-V518 HydrophobicContact CD1-CG1 4.06Å; L464-E519 HydrophobicContact CD1-CB 4.41Å; L464-E519 HydrophobicContact CD2-CB 4.25Å; L464-E519 HydrophobicContact CD2-CG 3.97Å
465	S	66.4	Low	66.6	Low	109 Å²	109	68 Å²	68	76%	0.762	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	147.5	171.4	48	0	0	0	0	111
466	G	73.3	Confident	70	Confident	56 Å²	56	65 Å²	65	58%	0.577	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.6	-9	178.9	0	0	0	0	0	116.1
467	V	82.9	Confident	73.1	Confident	17 Å²	17	65.8 Å²	65.8	10%	0.103	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	128.3	176.2	-175.3	0	0	0	0	111.4	L461 L464 Y469 V536 E538	L461-V467 HydrophobicContact CB-CB 4.43Å; L461-V467 HydrophobicContact CB-CG1 4.07Å; L461-V467 HydrophobicContact CB-CG2 3.88Å; L461-V467 HydrophobicContact CD1-CG1 4Å; L461-V467 HydrophobicContact CD1-CG2 4.07Å; L464-V467 HydrophobicContact CB-CG2 3.99Å; V467-Y469 HydrophobicContact CG1-CE1 4.25Å; V467-Y469 HydrophobicContact CG1-CE2 4.47Å; V467-V536 HydrophobicContact CG1-CG1 4.33Å; V467-V536 HydrophobicContact CG2-CB 4.23Å; V467-V536 HydrophobicContact CG2-CG1 4.2Å; V467-E538 HydrophobicContact CG1-CB 4.03Å
468	K	88.1	Confident	76.1	Confident	57 Å²	57	63.7 Å²	63.7	25%	0.248	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	132.2	-179.4	-61.5	173.6	-175.6	179.2	0	110.9	K470 D475 D535 V536 Y537 E538	K468-K470 HydrophobicContact CB-CG 4.44Å; K468-D475 IonicContact NZ-OD2 3.78Å; K468-D475 PolarHBondContact NZ-OD2 2.83Å; K468-D535 WeakPolarHBondContact CE-OD1 3.16Å; K468-D535 IonicContact NZ-OD1 2.64Å; K468-D535 PolarHBondContact NZ-OD1 2.84Å; K468-D535 IonicContact NZ-OD2 3.6Å; K468-D535 PolarHBondContact NZ-OD2 3.37Å; K468-V536 PolarHBondContact N-O 3Å; K468-Y537 HydrophobicContact CB-CD1 3.63Å; K468-Y537 HydrophobicContact CB-CE1 3.82Å; K468-Y537 HydrophobicContact CB-CG 4.25Å; K468-Y537 HydrophobicContact CD-CD1 4.08Å; K468-Y537 HydrophobicContact CD-CE1 3.41Å; K468-Y537 VanDerWaalsContact CD-CE1 3.41Å; K468-Y537 HydrophobicContact CD-CE2 4.26Å; K468-Y537 VanDerWaalsContact CD-CZ 3.48Å; K468-Y537 WeakPolarHBondContact CD-OH 3.37Å; K468-Y537 HydrophobicContact CG-CE1 4.28Å; K468-Y537 PolarHBondContact NZ-OH 2.62Å; K468-Y537 VanDerWaalsContact O-CA 3.23Å; K468-Y537 WeakPolarHBondContact O-CA 3.43Å; K468-E538 PolarHBondContact O-N 2.83Å
469	Y	85.8	Confident	78.7	Confident	124 Å²	124	64.1 Å²	64.1	49%	0.486	38%	0.376	S	S	.	.			trans	-102.1	1.3	178.5	-58.1	-80.4	0	0	0	114	A462 V467 E538	A462-Y469 WeakPolarHBondContact CA-OH 3.14Å; A462-Y469 PolarHBondContact N-OH 3.37Å; A462-Y469 VanDerWaalsContact N-OH 3.11Å; V467-Y469 HydrophobicContact CG1-CE1 4.25Å; V467-Y469 HydrophobicContact CG1-CE2 4.47Å; Y469-E538 HydrophobicContact CD1-CB 4.24Å; Y469-E538 HydrophobicContact CE1-CB 4.11Å; Y469-E538 HydrophobicContact CE1-CG 4.49Å
470	K	88.9	Confident	81	Confident	93 Å²	93	63.2 Å²	63.2	40%	0.404	37%	0.369	S	S	.	.	S	Bend	trans	-74.6	156.3	168	60.1	171.4	171.1	168.8	0	110.5	K468 F472 V474 D475 Y537	K468-K470 HydrophobicContact CB-CG 4.44Å; K470-F472 PolarHBondContact O-N 2.86Å; K470-V474 HydrophobicContact CD-CB 4.45Å; K470-V474 HydrophobicContact CD-CG1 4.26Å; K470-D475 WeakPolarHBondContact CE-OD1 3.17Å; K470-D475 WeakPolarHBondContact CE-OD2 3.48Å; K470-D475 IonicContact NZ-OD1 2.6Å; K470-D475 PolarHBondContact NZ-OD1 3.16Å; K470-D475 IonicContact NZ-OD2 3.4Å; K470-D475 PolarHBondContact NZ-OD2 3.34Å; K470-Y537 HydrophobicContact CG-CD1 4.49Å; K470-Y537 HydrophobicContact CG-CE1 4.28Å; K470-Y537 WeakPolarHBondContact O-CD1 3.41Å
471	P	88.6	Confident	83	Confident	81 Å²	81	60.6 Å²	60.6	53%	0.526	36%	0.363	S	S	.	.			trans	-59.5	134.2	177.6	-22.2	32.5	0	0	0	112.1	S473 V474	P471-S473 PolarHBondContact O-N 2.9Å; P471-S473 VanDerWaalsContact O-N 3.13Å; P471-V474 HydrophobicContact CB-CG2 4.17Å; P471-V474 HydrophobicContact CG-CG2 4.36Å; P471-V474 WeakPolarHBondContact O-CB 3.21Å; P471-V474 WeakPolarHBondContact O-CG2 3.37Å; P471-V474 PolarHBondContact O-N 3.19Å
472	F	92.3	Very high	84.5	Confident	13 Å²	13	64.3 Å²	64.3	6%	0.057	38%	0.382	C	S	.	.	G	3₁₀ helix	trans	-50	-37.3	175.1	164.7	-97.7	0	0	0	112.7	K470 V474 D475 Y476 L478 C493 V504 Y537 Y544 V546	K470-F472 PolarHBondContact O-N 2.86Å; F472-V474 PolarHBondContact O-N 3.45Å; F472-V474 VanDerWaalsContact O-N 3.12Å; F472-D475 PolarHBondContact O-N 3.32Å; F472-D475 VanDerWaalsContact O-N 3.16Å; F472-Y476 AromaticContact CD2-CD2 4Å; F472-Y476 HydrophobicContact CD2-CD2 4Å; F472-Y476 HydrophobicContact CD2-CG 4.26Å; F472-Y476 VanDerWaalsContact CE2-CB 3.42Å; F472-Y476 HydrophobicContact CE2-CD1 4.41Å; F472-Y476 AromaticContact CE2-CD2 3.74Å; F472-Y476 HydrophobicContact CE2-CD2 3.74Å; F472-Y476 AromaticContact CE2-CG 3.61Å; F472-Y476 HydrophobicContact CE2-CG 3.61Å; F472-Y476 AromaticContact CZ-CG 3.97Å; F472-Y476 HydrophobicContact CZ-CG 3.97Å; F472-Y476 PolarHBondContact O-N 2.89Å; F472-L478 HydrophobicContact CE1-CB 4.44Å; F472-L478 HydrophobicContact CE1-CD1 4.09Å; F472-L478 HydrophobicContact CZ-CD1 4.4Å; F472-C493 HydrophobicContact CZ-CB 3.84Å; F472-V504 HydrophobicContact CD2-CG2 4.46Å; F472-V504 HydrophobicContact CE2-CB 4.18Å; F472-V504 HydrophobicContact CE2-CG1 4.39Å; F472-V504 HydrophobicContact CE2-CG2 3.85Å; F472-V504 HydrophobicContact CZ-CB 4.15Å; F472-V504 HydrophobicContact CZ-CG1 3.86Å; F472-V504 HydrophobicContact CZ-CG2 4.11Å; F472-Y537 HydrophobicContact CB-CD1 4.44Å; F472-Y537 HydrophobicContact CB-CD2 4.41Å; F472-Y537 HydrophobicContact CB-CG 4.16Å; F472-Y537 AromaticContact CD2-CD2 3.88Å; F472-Y537 HydrophobicContact CD2-CD2 3.88Å; F472-Y537 HydrophobicContact CD2-CE2 4.06Å; F472-Y537 HydrophobicContact CD2-CG 4.47Å; F472-Y544 HydrophobicContact CB-CD1 3.91Å; F472-Y544 HydrophobicContact CB-CD2 4.17Å; F472-Y544 HydrophobicContact CB-CE1 4.12Å; F472-Y544 HydrophobicContact CB-CE2 4.36Å; F472-Y544 HydrophobicContact CB-CG 3.95Å; F472-Y544 AromaticContact CD1-CD1 3.93Å; F472-Y544 HydrophobicContact CD1-CD1 3.93Å; F472-Y544 AromaticContact CD1-CE1 3.99Å; F472-Y544 HydrophobicContact CD1-CE1 3.99Å; F472-Y544 HydrophobicContact CD2-CD1 4.08Å; F472-Y544 HydrophobicContact CD2-CG 4.28Å; F472-Y544 HydrophobicContact CE1-CD1 4.48Å; F472-Y544 AromaticContact CG-CD1 3.7Å; F472-Y544 HydrophobicContact CG-CD1 3.7Å; F472-Y544 HydrophobicContact CG-CE1 4.09Å; F472-Y544 HydrophobicContact CG-CG 4.08Å; F472-V546 HydrophobicContact CD2-CG2 4.08Å; F472-V546 HydrophobicContact CE2-CG2 3.7Å
473	S	92.1	Very high	85.9	Confident	69 Å²	69	66.3 Å²	66.3	48%	0.483	39%	0.385	S	S	.	.	G	3₁₀ helix	trans	-62.2	-15.8	179.6	53.6	0	0	0	0	115.1	P471 Y476 R496	P471-S473 PolarHBondContact O-N 2.9Å; P471-S473 VanDerWaalsContact O-N 3.13Å; S473-Y476 CarbonylContact C-O 3.47Å; S473-Y476 WeakPolarHBondContact CA-O 3.1Å; S473-R496 VanDerWaalsContact O-CZ 3.31Å; S473-R496 PolarHBondContact O-NE 3.37Å; S473-R496 PolarHBondContact O-NH2 3.37Å
474	V	92.5	Very high	87.1	Confident	78 Å²	78	69.1 Å²	69.1	47%	0.473	38%	0.375	S	S	.	.	G	3₁₀ helix	trans	-69.5	-39.7	174.9	177	0	0	0	0	111.2	K470 P471 F472 R496	K470-V474 HydrophobicContact CD-CB 4.45Å; K470-V474 HydrophobicContact CD-CG1 4.26Å; P471-V474 HydrophobicContact CB-CG2 4.17Å; P471-V474 HydrophobicContact CG-CG2 4.36Å; P471-V474 WeakPolarHBondContact O-CB 3.21Å; P471-V474 WeakPolarHBondContact O-CG2 3.37Å; P471-V474 PolarHBondContact O-N 3.19Å; F472-V474 PolarHBondContact O-N 3.45Å; F472-V474 VanDerWaalsContact O-N 3.12Å; V474-R496 WeakPolarHBondContact O-CD 3.46Å
475	D	93.6	Very high	87.3	Confident	14 Å²	14	69.3 Å²	69.3	8%	0.075	39%	0.385	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102	-28.3	-175.1	-65.6	-11.4	0	0	0	112.1	K468 K470 F472 H495 R496 Y537	K468-D475 IonicContact NZ-OD2 3.78Å; K468-D475 PolarHBondContact NZ-OD2 2.83Å; K470-D475 WeakPolarHBondContact CE-OD1 3.17Å; K470-D475 WeakPolarHBondContact CE-OD2 3.48Å; K470-D475 IonicContact NZ-OD1 2.6Å; K470-D475 PolarHBondContact NZ-OD1 3.16Å; K470-D475 IonicContact NZ-OD2 3.4Å; K470-D475 PolarHBondContact NZ-OD2 3.34Å; F472-D475 PolarHBondContact O-N 3.32Å; F472-D475 VanDerWaalsContact O-N 3.16Å; D475-H495 PolarHBondContact O-CD2 3.39Å; D475-H495 VanDerWaalsContact O-CD2 3.26Å; D475-R496 PolarHBondContact O-N 2.77Å; D475-Y537 VanDerWaalsContact CB-OH 3.3Å; D475-Y537 WeakPolarHBondContact CB-OH 3.29Å; D475-Y537 PolarHBondContact OD2-OH 3.45Å
476	Y	96.2	Very high	87.2	Confident	1 Å²	1	69.3 Å²	69.3	0%	0.004	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	151.5	-172.6	-69.3	-89.8	0	0	0	113.1	F472 S473 C493 C494 H495 C502 R534 D535 Y537 V546	F472-Y476 AromaticContact CD2-CD2 4Å; F472-Y476 HydrophobicContact CD2-CD2 4Å; F472-Y476 HydrophobicContact CD2-CG 4.26Å; F472-Y476 VanDerWaalsContact CE2-CB 3.42Å; F472-Y476 HydrophobicContact CE2-CD1 4.41Å; F472-Y476 AromaticContact CE2-CD2 3.74Å; F472-Y476 HydrophobicContact CE2-CD2 3.74Å; F472-Y476 AromaticContact CE2-CG 3.61Å; F472-Y476 HydrophobicContact CE2-CG 3.61Å; F472-Y476 AromaticContact CZ-CG 3.97Å; F472-Y476 HydrophobicContact CZ-CG 3.97Å; F472-Y476 PolarHBondContact O-N 2.89Å; S473-Y476 CarbonylContact C-O 3.47Å; S473-Y476 WeakPolarHBondContact CA-O 3.1Å; Y476-C493 HydrophobicContact CD1-CB 4.31Å; Y476-C494 CarbonylContact C-O 3.53Å; Y476-C494 WeakPolarHBondContact CA-O 3.5Å; Y476-H495 HydrophobicContact CD1-CB 3.93Å; Y476-H495 HydrophobicContact CE1-CB 3.52Å; Y476-H495 AromaticContact CE1-CD2 3.91Å; Y476-H495 AromaticContact CE2-CD2 3.91Å; Y476-H495 AromaticContact CZ-CD2 3.62Å; Y476-C502 HydrophobicContact CE1-CB 4.32Å; Y476-R534 VanDerWaalsContact OH-CD 3.25Å; Y476-R534 WeakPolarHBondContact OH-CD 3.4Å; Y476-R534 PolarHBondContact OH-NE 2.89Å; Y476-D535 HydrophobicContact CE2-CB 4.43Å; Y476-D535 WeakPolarHBondContact CE2-OD2 3.4Å; Y476-D535 PolarHBondContact OH-OD2 3.49Å; Y476-Y537 HydrophobicContact CD2-CE2 4.03Å; Y476-Y537 AromaticContact CE2-CE2 3.88Å; Y476-Y537 HydrophobicContact CE2-CE2 3.88Å; Y476-Y537 AromaticContact CE2-CZ 3.99Å; Y476-Y537 WeakPolarHBondContact CE2-OH 3.43Å; Y476-V546 HydrophobicContact CD1-CG1 4.5Å; Y476-V546 HydrophobicContact CD2-CG2 4.5Å; Y476-V546 HydrophobicContact CE1-CG1 3.85Å; Y476-V546 HydrophobicContact CE2-CG1 4.36Å; Y476-V546 HydrophobicContact CE2-CG2 4.27Å
477	V	95.1	Very high	87.2	Confident	54 Å²	54	68.2 Å²	68.2	33%	0.327	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	128	164.3	-179.4	0	0	0	0	107.9	L479 C493 C494 R496	V477-L479 HydrophobicContact CG1-CD2 4.08Å; V477-C493 CarbonylContact O-C 3.57Å; V477-C493 WeakPolarHBondContact O-CA 3.22Å; V477-C493 VanDerWaalsContact O-CB 3.22Å; V477-C493 WeakPolarHBondContact O-CB 2.94Å; V477-C494 PolarHBondContact N-O 3.02Å; V477-C494 PolarHBondContact O-N 3.39Å; V477-R496 HydrophobicContact CG2-CG 3.85Å
478	L	95	Very high	87.3	Confident	73 Å²	73	67.8 Å²	67.8	38%	0.382	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	136.4	171.9	-161.3	69.6	0	0	0	109.5	F472 H491 V504 I506	F472-L478 HydrophobicContact CE1-CB 4.44Å; F472-L478 HydrophobicContact CE1-CD1 4.09Å; F472-L478 HydrophobicContact CZ-CD1 4.4Å; L478-H491 HydrophobicContact CD1-CB 3.47Å; L478-H491 VanDerWaalsContact CD1-CB 3.47Å; L478-H491 HydrophobicContact CG-CB 4.09Å; L478-V504 HydrophobicContact CD1-CG1 3.52Å; L478-I506 HydrophobicContact CD1-CD1 4.09Å; L478-I506 HydrophobicContact CD2-CD1 4.28Å
479	L	94.7	Very high	87.4	Confident	70 Å²	70	66.7 Å²	66.7	37%	0.366	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	-143	179.1	-52.8	177	0	0	0	109.7	V477 K492 C494	V477-L479 HydrophobicContact CG1-CD2 4.08Å; L479-K492 HydrophobicContact CB-CB 4.2Å; L479-K492 WeakPolarHBondContact CB-O 3.46Å; L479-K492 HydrophobicContact CD1-CD 4.16Å; L479-K492 HydrophobicContact CD1-CG 4.18Å; L479-K492 PolarHBondContact N-O 3.43Å; L479-C494 HydrophobicContact CD1-CB 4.09Å
480	E	93.3	Very high	87.8	Confident	99 Å²	99	62.1 Å²	62.1	46%	0.463	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	145.1	-178.1	62	-90.8	-149.5	0	0	114.6	H491 K492	E480-H491 CarbonylContact O-C 3.58Å; E480-H491 WeakPolarHBondContact O-CA 3.37Å; E480-K492 HydrophobicContact CG-CB 4.23Å; E480-K492 HydrophobicContact CG-CD 4.23Å; E480-K492 PolarHBondContact O-N 2.97Å; E480-K492 WeakPolarHBondContact OE1-CD 3.31Å; E480-K492 WeakPolarHBondContact OE1-CE 3.37Å; E480-K492 IonicContact OE1-NZ 3.81Å; E480-K492 PolarHBondContact OE1-NZ 3.27Å
481	E	93.1	Very high	88.1	Confident	97 Å²	97	59 Å²	59	45%	0.453	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	129.1	167.7	-169.7	178.3	110.4	0	0	108.9	V489	E481-V489 VanDerWaalsContact CD-CG1 3.48Å; E481-V489 HydrophobicContact CG-CG1 3.65Å; E481-V489 VanDerWaalsContact OE2-CG1 3.26Å; E481-V489 WeakPolarHBondContact OE2-CG1 3.11Å
482	I	87.6	Confident	88.5	Confident	80 Å²	80	57.1 Å²	57.1	41%	0.41	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	-45.7	179.8	-58.7	170	0	0	0	110.3	V490 K492 Y549	I482-V490 HydrophobicContact CB-CG1 4.29Å; I482-V490 HydrophobicContact CD1-CG1 4.37Å; I482-V490 PolarHBondContact N-O 2.86Å; I482-K492 HydrophobicContact CD1-CB 4Å; I482-K492 HydrophobicContact CG1-CB 4.3Å; I482-Y549 HydrophobicContact CD1-CD2 4.17Å; I482-Y549 HydrophobicContact CD1-CE2 3.81Å
483	N	82	Confident	88.6	Confident	95 Å²	95	56.5 Å²	56.5	51%	0.508	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	151.8	-174.5	-166.2	-56.7	0	0	0	110.8	V490	N483-V490 HydrophobicContact CB-CB 4.21Å; N483-V490 HydrophobicContact CB-CG2 4.49Å; N483-V490 PolarHBondContact N-O 3.38Å; N483-V490 PolarHBondContact O-N 2.97Å
484	K	81.8	Confident	88.8	Confident	139 Å²	139	54.3 Å²	54.3	60%	0.604	30%	0.297	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.3	107.3	-178.8	-172.1	166.5	-167.1	158.2	0	111.4	V489	K484-V489 HydrophobicContact CB-CG1 4.31Å; K484-V489 HydrophobicContact CG-CG1 4.28Å; K484-V489 HydrophobicContact CG-CG2 4.22Å
485	G	69.5	Low	89	Confident	36 Å²	36	51.7 Å²	51.7	37%	0.371	28%	0.28	S	S	.	.			trans	-94.7	176.7	172.6	0	0	0	0	0	112.7	F487 S488	G485-F487 VanDerWaalsContact C-N 3.27Å; G485-F487 PolarHBondContact O-N 3.23Å; G485-S488 PolarHBondContact N-O 3.1Å
486	S	64.3	Low	89	Confident	109 Å²	109	56.8 Å²	56.8	76%	0.762	30%	0.298	S	S	*	.	S	Bend	trans	-61.3	-29.7	-175.8	-47.2	0	0	0	0	114.5	K511	S486-K511 WeakPolarHBondContact O-CD 3.41Å
487	F	73.8	Confident	88.8	Confident	34 Å²	34	63.3 Å²	63.3	15%	0.149	33%	0.333	C	S	.	.	S	Bend	trans	-127.5	-3.3	-173.4	47.1	-108.3	0	0	0	114.6	G485 D508 K511 R512 F618	G485-F487 VanDerWaalsContact C-N 3.27Å; G485-F487 PolarHBondContact O-N 3.23Å; F487-D508 WeakPolarHBondContact O-CB 3.12Å; F487-D508 PolarHBondContact O-N 3.03Å; F487-D508 VanDerWaalsContact O-N 3.15Å; F487-K511 HydrophobicContact CB-CB 3.99Å; F487-K511 HydrophobicContact CB-CD 4.48Å; F487-R512 HydrophobicContact CB-CB 3.6Å; F487-R512 HydrophobicContact CB-CG 4.47Å; F487-R512 HydrophobicContact CD1-CB 3.96Å; F487-R512 HydrophobicContact CD1-CG 4.02Å; F487-R512 HydrophobicContact CD2-CB 4.18Å; F487-R512 HydrophobicContact CD2-CG 4.21Å; F487-R512 HydrophobicContact CE1-CG 4.4Å; F487-R512 HydrophobicContact CG-CB 3.61Å; F487-R512 HydrophobicContact CG-CG 3.94Å; F487-R512 VanDerWaalsContact CZ-CZ 3.49Å; F487-F618 HydrophobicContact CE1-CE2 4.46Å; F487-F618 AromaticContact CE1-CZ 3.94Å; F487-F618 HydrophobicContact CE1-CZ 3.94Å; F487-F618 HydrophobicContact CZ-CE2 4.1Å; F487-F618 HydrophobicContact CZ-CZ 4.03Å
488	S	85.1	Confident	88.7	Confident	7 Å²	7	64.6 Å²	64.6	5%	0.049	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	148.6	-178.7	58.6	0	0	0	0	112	G485 K505 I506	G485-S488 PolarHBondContact N-O 3.1Å; S488-K505 WeakPolarHBondContact OG-CE 3.45Å; S488-I506 CarbonylContact C-O 3.56Å; S488-I506 WeakPolarHBondContact CA-O 3.32Å; S488-I506 WeakPolarHBondContact CB-O 3.45Å
489	V	90.5	Very high	88.5	Confident	35 Å²	35	67.2 Å²	67.2	21%	0.212	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	132.4	174	-163	0	0	0	0	109.2	E481 K484 H491 I506	E481-V489 VanDerWaalsContact CD-CG1 3.48Å; E481-V489 HydrophobicContact CG-CG1 3.65Å; E481-V489 VanDerWaalsContact OE2-CG1 3.26Å; E481-V489 WeakPolarHBondContact OE2-CG1 3.11Å; K484-V489 HydrophobicContact CB-CG1 4.31Å; K484-V489 HydrophobicContact CG-CG1 4.28Å; K484-V489 HydrophobicContact CG-CG2 4.22Å; V489-H491 VanDerWaalsContact CG1-CE1 3.43Å; V489-H491 WeakPolarHBondContact CG1-CE1 3.34Å; V489-I506 PolarHBondContact N-O 2.93Å; V489-I506 WeakPolarHBondContact O-CB 3.47Å; V489-I506 PolarHBondContact O-N 3.44Å
490	V	92.8	Very high	88.5	Confident	27 Å²	27	65.2 Å²	65.2	16%	0.164	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	124.9	-178.2	-174.7	0	0	0	0	108.5	I482 N483 C503 V504 K505	I482-V490 HydrophobicContact CB-CG1 4.29Å; I482-V490 HydrophobicContact CD1-CG1 4.37Å; I482-V490 PolarHBondContact N-O 2.86Å; N483-V490 HydrophobicContact CB-CB 4.21Å; N483-V490 HydrophobicContact CB-CG2 4.49Å; N483-V490 PolarHBondContact N-O 3.38Å; N483-V490 PolarHBondContact O-N 2.97Å; V490-C503 WeakPolarHBondContact CG1-SG 3.34Å; V490-V504 WeakPolarHBondContact CA-O 3.37Å; V490-K505 HydrophobicContact CG2-CB 4.33Å; V490-K505 HydrophobicContact CG2-CG 4.1Å
491	H	96.2	Very high	88.5	Confident	28 Å²	28	63.9 Å²	63.9	13%	0.13	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	159.1	176.7	-70.4	70.4	0	0	0	110.3	L478 E480 V489 C503 V504	L478-H491 HydrophobicContact CD1-CB 3.47Å; L478-H491 VanDerWaalsContact CD1-CB 3.47Å; L478-H491 HydrophobicContact CG-CB 4.09Å; E480-H491 CarbonylContact O-C 3.58Å; E480-H491 WeakPolarHBondContact O-CA 3.37Å; V489-H491 VanDerWaalsContact CG1-CE1 3.43Å; V489-H491 WeakPolarHBondContact CG1-CE1 3.34Å; H491-C503 CarbonylContact O-C 3.59Å; H491-V504 HydrophobicContact CB-CG1 4.01Å; H491-V504 PolarHBondContact N-O 3.4Å; H491-V504 PolarHBondContact O-N 3.02Å
492	K	96	Very high	88.6	Confident	42 Å²	42	59.5 Å²	59.5	18%	0.183	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	149.9	160.2	-164.9	-176.1	-176.3	174.9	0	109	L479 E480 I482 V501 Y549	L479-K492 HydrophobicContact CB-CB 4.2Å; L479-K492 WeakPolarHBondContact CB-O 3.46Å; L479-K492 HydrophobicContact CD1-CD 4.16Å; L479-K492 HydrophobicContact CD1-CG 4.18Å; L479-K492 PolarHBondContact N-O 3.43Å; E480-K492 HydrophobicContact CG-CB 4.23Å; E480-K492 HydrophobicContact CG-CD 4.23Å; E480-K492 PolarHBondContact O-N 2.97Å; E480-K492 WeakPolarHBondContact OE1-CD 3.31Å; E480-K492 WeakPolarHBondContact OE1-CE 3.37Å; E480-K492 IonicContact OE1-NZ 3.81Å; E480-K492 PolarHBondContact OE1-NZ 3.27Å; I482-K492 HydrophobicContact CD1-CB 4Å; I482-K492 HydrophobicContact CG1-CB 4.3Å; K492-V501 HydrophobicContact CD-CG1 4.14Å; K492-V501 VanDerWaalsContact CE-CG1 3.45Å; K492-V501 HydrophobicContact CG-CG1 3.8Å; K492-Y549 HydrophobicContact CD-CE2 4.19Å; K492-Y549 HydrophobicContact CG-CD2 4.04Å; K492-Y549 HydrophobicContact CG-CE2 4Å
493	C	96.1	Very high	88.9	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	163.9	172.1	62.8	0	0	0	0	111.3	F472 Y476 V477 V501 C502 V504	F472-C493 HydrophobicContact CZ-CB 3.84Å; Y476-C493 HydrophobicContact CD1-CB 4.31Å; V477-C493 CarbonylContact O-C 3.57Å; V477-C493 WeakPolarHBondContact O-CA 3.22Å; V477-C493 VanDerWaalsContact O-CB 3.22Å; V477-C493 WeakPolarHBondContact O-CB 2.94Å; C493-V501 WeakPolarHBondContact O-CA 3.42Å; C493-C502 PolarHBondContact N-O 3.33Å; C493-C502 PolarHBondContact O-N 2.99Å; C493-V504 HydrophobicContact CB-CG1 4.03Å
494	C	96.5	Very high	89.6	Confident	23 Å²	23	51.9 Å²	51.9	16%	0.155	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	126.5	176.1	-174.1	0	0	0	0	110	Y476 V477 L479 R496 A500	Y476-C494 CarbonylContact C-O 3.53Å; Y476-C494 WeakPolarHBondContact CA-O 3.5Å; V477-C494 PolarHBondContact N-O 3.02Å; V477-C494 PolarHBondContact O-N 3.39Å; L479-C494 HydrophobicContact CD1-CB 4.09Å; C494-R496 PolarHBondContact O-N 3.16Å; C494-A500 WeakPolarHBondContact CA-O 3.28Å
495	H	95.8	Very high	90.2	Very high	23 Å²	23	45.5 Å²	45.5	11%	0.106	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	117.7	174.8	-176.8	-113.5	0	0	0	110.1	D475 Y476 N497 T498 N499 A500	D475-H495 PolarHBondContact O-CD2 3.39Å; D475-H495 VanDerWaalsContact O-CD2 3.26Å; Y476-H495 HydrophobicContact CD1-CB 3.93Å; Y476-H495 HydrophobicContact CE1-CB 3.52Å; Y476-H495 AromaticContact CE1-CD2 3.91Å; Y476-H495 AromaticContact CE2-CD2 3.91Å; Y476-H495 AromaticContact CZ-CD2 3.62Å; H495-N497 VanDerWaalsContact C-N 3.29Å; H495-N497 PolarHBondContact O-N 3.24Å; H495-N497 VanDerWaalsContact O-N 3.16Å; H495-T498 PolarHBondContact ND1-OG1 3.4Å; H495-T498 PolarHBondContact O-N 3.19Å; H495-N499 WeakPolarHBondContact O-CA 3.41Å; H495-N499 PolarHBondContact O-N 2.73Å; H495-A500 HydrophobicContact CB-CB 4.26Å; H495-A500 PolarHBondContact N-O 3.06Å
496	R	94	Very high	91.4	Very high	121 Å²	121	44.9 Å²	44.9	46%	0.457	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-39.8	-168.3	-71.7	177.5	-177.7	-82.7	3.8	114.1	S473 V474 D475 V477 C494	S473-R496 VanDerWaalsContact O-CZ 3.31Å; S473-R496 PolarHBondContact O-NE 3.37Å; S473-R496 PolarHBondContact O-NH2 3.37Å; V474-R496 WeakPolarHBondContact O-CD 3.46Å; D475-R496 PolarHBondContact O-N 2.77Å; V477-R496 HydrophobicContact CG2-CG 3.85Å; C494-R496 PolarHBondContact O-N 3.16Å
497	N	91.1	Very high	92.6	Very high	137 Å²	137	39.7 Å²	39.7	73%	0.733	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.4	-19.6	-171.1	-62.8	-7.3	0	0	0	113.4	H495	H495-N497 VanDerWaalsContact C-N 3.29Å; H495-N497 PolarHBondContact O-N 3.24Å; H495-N497 VanDerWaalsContact O-N 3.16Å
498	T	93.6	Very high	93.1	Very high	81 Å²	81	39.7 Å²	39.7	50%	0.497	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-120.7	-2.8	-175.6	64.3	0	0	0	0	113.4	H495 A500	H495-T498 PolarHBondContact ND1-OG1 3.4Å; H495-T498 PolarHBondContact O-N 3.19Å; T498-A500 PolarHBondContact O-N 3.34Å; T498-A500 VanDerWaalsContact OG1-CB 3.29Å; T498-A500 WeakPolarHBondContact OG1-CB 3.34Å; T498-A500 PolarHBondContact OG1-N 2.82Å
499	N	91.5	Very high	92.9	Very high	128 Å²	128	40.5 Å²	40.5	68%	0.684	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.7	24.8	-169.8	-62.1	-49.7	0	0	0	114	H495 V501	H495-N499 WeakPolarHBondContact O-CA 3.41Å; H495-N499 PolarHBondContact O-N 2.73Å; N499-V501 PolarHBondContact O-N 2.84Å
500	A	92.9	Very high	92	Very high	28 Å²	28	41.4 Å²	41.4	23%	0.231	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	122.7	-178.5	0	0	0	0	0	109.5	C494 H495 T498	C494-A500 WeakPolarHBondContact CA-O 3.28Å; H495-A500 HydrophobicContact CB-CB 4.26Å; H495-A500 PolarHBondContact N-O 3.06Å; T498-A500 PolarHBondContact O-N 3.34Å; T498-A500 VanDerWaalsContact OG1-CB 3.29Å; T498-A500 WeakPolarHBondContact OG1-CB 3.34Å; T498-A500 PolarHBondContact OG1-N 2.82Å
501	V	94.5	Very high	90.9	Very high	71 Å²	71	45.6 Å²	45.6	43%	0.43	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	130.4	174.7	179.2	0	0	0	0	109.1	K492 C493 N499 Y549	K492-V501 HydrophobicContact CD-CG1 4.14Å; K492-V501 VanDerWaalsContact CE-CG1 3.45Å; K492-V501 HydrophobicContact CG-CG1 3.8Å; C493-V501 WeakPolarHBondContact O-CA 3.42Å; N499-V501 PolarHBondContact O-N 2.84Å; V501-Y549 HydrophobicContact CG1-CD1 4.07Å; V501-Y549 HydrophobicContact CG1-CD2 4.48Å; V501-Y549 HydrophobicContact CG1-CG 3.95Å
502	C	95.1	Very high	89.8	Confident	5 Å²	5	45.8 Å²	45.8	3%	0.034	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	170.7	-178.9	-64.7	0	0	0	0	109.8	Y476 C493 V546 M547	Y476-C502 HydrophobicContact CE1-CB 4.32Å; C493-C502 PolarHBondContact N-O 3.33Å; C493-C502 PolarHBondContact O-N 2.99Å; C502-V546 HydrophobicContact CB-CG1 3.83Å; C502-M547 WeakPolarHBondContact CB-O 3.46Å
503	C	94.8	Very high	88.7	Confident	15 Å²	15	46.5 Å²	46.5	10%	0.101	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	143	170.3	-174.7	0	0	0	0	108.5	V490 H491 V546 M547 E548 Y549	V490-C503 WeakPolarHBondContact CG1-SG 3.34Å; H491-C503 CarbonylContact O-C 3.59Å; C503-V546 CarbonylContact O-C 3.57Å; C503-V546 WeakPolarHBondContact O-CA 3.46Å; C503-M547 PolarHBondContact N-O 3.42Å; C503-M547 PolarHBondContact O-N 2.81Å; C503-E548 WeakPolarHBondContact CB-O 3.32Å; C503-Y549 HydrophobicContact CB-CD2 4.45Å
504	V	96.3	Very high	88.2	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	119.4	172.8	61.9	0	0	0	0	110.5	F472 L478 V490 H491 C493 I506 Y544 L545 V546	F472-V504 HydrophobicContact CD2-CG2 4.46Å; F472-V504 HydrophobicContact CE2-CB 4.18Å; F472-V504 HydrophobicContact CE2-CG1 4.39Å; F472-V504 HydrophobicContact CE2-CG2 3.85Å; F472-V504 HydrophobicContact CZ-CB 4.15Å; F472-V504 HydrophobicContact CZ-CG1 3.86Å; F472-V504 HydrophobicContact CZ-CG2 4.11Å; L478-V504 HydrophobicContact CD1-CG1 3.52Å; V490-V504 WeakPolarHBondContact CA-O 3.37Å; H491-V504 HydrophobicContact CB-CG1 4.01Å; H491-V504 PolarHBondContact N-O 3.4Å; H491-V504 PolarHBondContact O-N 3.02Å; C493-V504 HydrophobicContact CB-CG1 4.03Å; V504-I506 HydrophobicContact CG1-CG1 4.39Å; V504-I506 HydrophobicContact CG2-CG1 4.18Å; V504-Y544 HydrophobicContact CG2-CD1 4.07Å; V504-Y544 HydrophobicContact CG2-CG 4.49Å; V504-L545 WeakPolarHBondContact CA-O 3.46Å; V504-V546 HydrophobicContact CB-CG2 4.44Å; V504-V546 HydrophobicContact CG2-CG2 4.08Å
505	K	94.5	Very high	87.5	Confident	6 Å²	6	48.4 Å²	48.4	3%	0.026	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	106.8	169.7	-174.5	-179.8	-166.3	175.6	0	108	S488 V490 I507 E517 L545 M547 D615	S488-K505 WeakPolarHBondContact OG-CE 3.45Å; V490-K505 HydrophobicContact CG2-CB 4.33Å; V490-K505 HydrophobicContact CG2-CG 4.1Å; K505-I507 HydrophobicContact CD-CD1 4.32Å; K505-I507 HydrophobicContact CD-CG1 4.19Å; K505-I507 HydrophobicContact CG-CG1 3.91Å; K505-I507 PolarHBondContact O-N 3.37Å; K505-E517 IonicContact NZ-OE1 2.67Å; K505-E517 PolarHBondContact NZ-OE1 2.73Å; K505-E517 IonicContact NZ-OE2 2.81Å; K505-L545 HydrophobicContact CB-CB 4.31Å; K505-L545 PolarHBondContact N-O 3.06Å; K505-L545 PolarHBondContact O-N 3.45Å; K505-M547 HydrophobicContact CB-CE 3.71Å; K505-D615 VanDerWaalsContact NZ-CG 3.26Å; K505-D615 IonicContact NZ-OD1 2.97Å; K505-D615 PolarHBondContact NZ-OD1 3.49Å; K505-D615 IonicContact NZ-OD2 2.81Å
506	I	94.2	Very high	86.8	Confident	23 Å²	23	49.5 Å²	49.5	12%	0.118	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	95.3	176	-50.3	179.8	0	0	0	106.8	L478 S488 V489 V504 L542 Y544	L478-I506 HydrophobicContact CD1-CD1 4.09Å; L478-I506 HydrophobicContact CD2-CD1 4.28Å; S488-I506 CarbonylContact C-O 3.56Å; S488-I506 WeakPolarHBondContact CA-O 3.32Å; S488-I506 WeakPolarHBondContact CB-O 3.45Å; V489-I506 PolarHBondContact N-O 2.93Å; V489-I506 WeakPolarHBondContact O-CB 3.47Å; V489-I506 PolarHBondContact O-N 3.44Å; V504-I506 HydrophobicContact CG1-CG1 4.39Å; V504-I506 HydrophobicContact CG2-CG1 4.18Å; I506-L542 HydrophobicContact CG2-CB 4.4Å; I506-L542 HydrophobicContact CG2-CD1 4.04Å; I506-L542 HydrophobicContact CG2-CD2 3.86Å; I506-L542 HydrophobicContact CG2-CG 4.32Å; I506-Y544 HydrophobicContact CD1-CD1 4.16Å; I506-Y544 HydrophobicContact CD1-CE1 3.91Å; I506-Y544 HydrophobicContact CG1-CD1 3.79Å; I506-Y544 HydrophobicContact CG1-CE1 4Å; I506-Y544 HydrophobicContact CG2-CD1 4.24Å; I506-Y544 HydrophobicContact CG2-CE1 4.03Å
507	I	89.9	Confident	86.6	Confident	0 Å²	0	44 Å²	44	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	129.2	173.2	-51.5	170.3	0	0	0	106.5	K505 A514 E517 L542 V543	K505-I507 HydrophobicContact CD-CD1 4.32Å; K505-I507 HydrophobicContact CD-CG1 4.19Å; K505-I507 HydrophobicContact CG-CG1 3.91Å; K505-I507 PolarHBondContact O-N 3.37Å; I507-A514 HydrophobicContact CB-CB 4.47Å; I507-A514 HydrophobicContact CD1-CB 3.7Å; I507-A514 HydrophobicContact CG2-CB 4.23Å; I507-E517 WeakPolarHBondContact CD1-OE2 3.38Å; I507-L542 CarbonylContact O-C 3.14Å; I507-L542 VanDerWaalsContact O-CA 3.31Å; I507-L542 WeakPolarHBondContact O-CA 3.47Å; I507-V543 HydrophobicContact CB-CB 4.39Å; I507-V543 PolarHBondContact N-O 2.94Å; I507-V543 PolarHBondContact O-N 2.94Å
508	D	85	Confident	86.5	Confident	33 Å²	33	37.4 Å²	37.4	18%	0.176	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	177.4	176.7	-177.7	-31.1	0	0	0	109.6	R456 F487 S510 K511 N541 L542	R456-D508 VanDerWaalsContact NH1-CG 3.34Å; R456-D508 PolarHBondContact NH1-O 3.06Å; R456-D508 IonicContact NH1-OD1 3.5Å; R456-D508 PolarHBondContact NH1-OD1 3.42Å; R456-D508 VanDerWaalsContact NH1-OD1 3.09Å; R456-D508 VanDerWaalsContact NH2-C 3.27Å; R456-D508 PolarHBondContact NH2-O 3.12Å; F487-D508 WeakPolarHBondContact O-CB 3.12Å; F487-D508 PolarHBondContact O-N 3.03Å; F487-D508 VanDerWaalsContact O-N 3.15Å; D508-S510 VanDerWaalsContact CG-OG 3.26Å; D508-S510 WeakPolarHBondContact OD1-CB 3.38Å; D508-S510 PolarHBondContact OD1-N 3.19Å; D508-S510 PolarHBondContact OD1-OG 2.81Å; D508-S510 PolarHBondContact OD2-OG 3.4Å; D508-K511 WeakPolarHBondContact OD2-CD 3.36Å; D508-K511 VanDerWaalsContact OD2-CE 3.24Å; D508-K511 WeakPolarHBondContact OD2-CE 3.44Å; D508-K511 IonicContact OD2-NZ 3.77Å; D508-K511 PolarHBondContact OD2-NZ 3.31Å; D508-N541 CarbonylContact C-O 3.57Å; D508-L542 HydrophobicContact CB-CD2 4.48Å
509	K	80.1	Confident	86.1	Confident	24 Å²	24	35 Å²	35	10%	0.104	18%	0.183	C	C	.	.	S	Bend	trans	-129.3	23.1	161.6	-66.1	175	54.2	-173.2	0	114.9	R456 E538 N539 E540 N541 V543	R456-K509 WeakPolarHBondContact CB-O 3.46Å; R456-K509 VanDerWaalsContact CD-O 3.25Å; R456-K509 WeakPolarHBondContact CD-O 3.5Å; R456-K509 WeakPolarHBondContact CG-O 3.36Å; R456-K509 VanDerWaalsContact NH1-C 3.31Å; K509-E538 IonicContact NZ-OE1 3.47Å; K509-E538 PolarHBondContact NZ-OE1 2.91Å; K509-N539 WeakPolarHBondContact CD-O 3.06Å; K509-N539 PolarHBondContact NZ-O 2.87Å; K509-E540 WeakPolarHBondContact CE-O 3.44Å; K509-E540 PolarHBondContact NZ-O 2.86Å; K509-E540 VanDerWaalsContact NZ-O 3.15Å; K509-N541 WeakPolarHBondContact CA-O 3.31Å; K509-N541 VanDerWaalsContact CB-C 3.46Å; K509-N541 WeakPolarHBondContact CB-O 3.25Å; K509-N541 PolarHBondContact N-O 3.15Å; K509-V543 HydrophobicContact CD-CG2 3.93Å; K509-V543 HydrophobicContact CG-CG2 4.2Å
510	S	70.7	Confident	86	Confident	54 Å²	54	29 Å²	29	38%	0.378	15%	0.151	S	C	.	.	S	Bend	trans	-99.2	-21.9	159.1	70.1	0	0	0	0	122.1	R456 D508	R456-S510 VanDerWaalsContact CB-C 3.46Å; R456-S510 WeakPolarHBondContact CB-O 3.48Å; D508-S510 VanDerWaalsContact CG-OG 3.26Å; D508-S510 WeakPolarHBondContact OD1-CB 3.38Å; D508-S510 PolarHBondContact OD1-N 3.19Å; D508-S510 PolarHBondContact OD1-OG 2.81Å; D508-S510 PolarHBondContact OD2-OG 3.4Å
511	K	70.6	Confident	86	Confident	116 Å²	116	27.7 Å²	27.7	50%	0.504	14%	0.14	S	C	.	.	S	Bend	trans	-106.4	-62.6	-179.8	-53.4	161.2	-170	149.7	0	123.3	S486 F487 D508	S486-K511 WeakPolarHBondContact O-CD 3.41Å; F487-K511 HydrophobicContact CB-CB 3.99Å; F487-K511 HydrophobicContact CB-CD 4.48Å; D508-K511 WeakPolarHBondContact OD2-CD 3.36Å; D508-K511 VanDerWaalsContact OD2-CE 3.24Å; D508-K511 WeakPolarHBondContact OD2-CE 3.44Å; D508-K511 IonicContact OD2-NZ 3.77Å; D508-K511 PolarHBondContact OD2-NZ 3.31Å
512	R	72.6	Confident	85.7	Confident	31 Å²	31	26.8 Å²	26.8	12%	0.117	13%	0.132	C	C	.	.	S	Bend	trans	-132.4	149.6	-169.8	-175.2	-104.1	-166.2	124.3	48.6	119.4	R456 F458 F487 E517 G617	R456-R512 PolarHBondContact NE-O 3.38Å; R456-R512 PolarHBondContact NH2-O 2.82Å; F458-R512 WeakPolarHBondContact CD2-O 3.48Å; F458-R512 VanDerWaalsContact CE2-CA 3.42Å; F458-R512 WeakPolarHBondContact CE2-O 3.25Å; F487-R512 HydrophobicContact CB-CB 3.6Å; F487-R512 HydrophobicContact CB-CG 4.47Å; F487-R512 HydrophobicContact CD1-CB 3.96Å; F487-R512 HydrophobicContact CD1-CG 4.02Å; F487-R512 HydrophobicContact CD2-CB 4.18Å; F487-R512 HydrophobicContact CD2-CG 4.21Å; F487-R512 HydrophobicContact CE1-CG 4.4Å; F487-R512 HydrophobicContact CG-CB 3.61Å; F487-R512 HydrophobicContact CG-CG 3.94Å; F487-R512 VanDerWaalsContact CZ-CZ 3.49Å; R512-E517 IonicContact CZ-OE2 3.7Å; R512-E517 IonicContact NH1-OE2 3.85Å; R512-E517 PolarHBondContact NH1-OE2 2.77Å; R512-G617 PolarHBondContact NE-O 2.72Å; R512-G617 PolarHBondContact NH2-O 3.09Å
513	D	73.5	Confident	85.4	Confident	57 Å²	57	31.3 Å²	31.3	31%	0.305	15%	0.149	S	C	.	.			trans	-76.8	138.4	-175.5	-154.2	-19.3	0	0	0	113.1	F458 R515	F458-D513 HydrophobicContact CD1-CB 3.32Å; F458-D513 WeakPolarHBondContact CD1-OD2 3.18Å; F458-D513 HydrophobicContact CD2-CB 3.99Å; F458-D513 HydrophobicContact CE1-CB 3.36Å; F458-D513 VanDerWaalsContact CE2-CA 3.45Å; F458-D513 HydrophobicContact CE2-CB 4.03Å; F458-D513 HydrophobicContact CG-CB 3.72Å; F458-D513 VanDerWaalsContact CG-CG 3.44Å; F458-D513 WeakPolarHBondContact CG-OD1 3.32Å; F458-D513 HydrophobicContact CZ-CB 3.76Å; D513-R515 PolarHBondContact OD1-N 2.76Å
514	A	84.1	Confident	85.1	Confident	4 Å²	4	30.7 Å²	30.7	3%	0.033	15%	0.145	C	C	.	.			trans	-103.5	-16	173.9	0	0	0	0	0	113.4	I507 E516 E517 V518 V543	I507-A514 HydrophobicContact CB-CB 4.47Å; I507-A514 HydrophobicContact CD1-CB 3.7Å; I507-A514 HydrophobicContact CG2-CB 4.23Å; A514-E516 PolarHBondContact O-N 3.08Å; A514-E517 PolarHBondContact O-N 3.29Å; A514-V518 HydrophobicContact CB-CG2 4.41Å; A514-V518 WeakPolarHBondContact O-CB 3.4Å; A514-V518 VanDerWaalsContact O-CG2 3.23Å; A514-V518 WeakPolarHBondContact O-CG2 3.42Å; A514-V518 PolarHBondContact O-N 3.2Å; A514-V543 HydrophobicContact CB-CB 4.1Å; A514-V543 HydrophobicContact CB-CG1 4.17Å; A514-V543 HydrophobicContact CB-CG2 3.98Å
515	R	82.8	Confident	84.7	Confident	59 Å²	59	34.6 Å²	34.6	22%	0.223	16%	0.162	C	C	.	.	H	α-helix	trans	-61.6	-46.5	-168.9	-172.1	175.8	177.2	116.1	3.2	113.2	R460 L461 A462 L464 D513 E519	R460-R515 PolarHBondContact O-NH1 2.83Å; L461-R515 HydrophobicContact CD2-CB 3.86Å; L461-R515 HydrophobicContact CD2-CG 4.04Å; A462-R515 PolarHBondContact O-NH1 3.24Å; A462-R515 PolarHBondContact O-NH2 3.16Å; L464-R515 HydrophobicContact CD1-CG 4.15Å; D513-R515 PolarHBondContact OD1-N 2.76Å; R515-E519 WeakPolarHBondContact O-CB 3.43Å; R515-E519 PolarHBondContact O-N 2.81Å
516	E	81.2	Confident	84.2	Confident	46 Å²	46	40.4 Å²	40.4	22%	0.215	19%	0.194	C	C	.	.	H	α-helix	trans	-68.5	-40.5	179.6	-169.4	163.9	-161.2	0	0	111.5	A514 E519 I520 K620 Q621	A514-E516 PolarHBondContact O-N 3.08Å; E516-E519 PolarHBondContact O-N 3.31Å; E516-I520 HydrophobicContact CG-CD1 3.91Å; E516-I520 WeakPolarHBondContact O-CB 3.4Å; E516-I520 WeakPolarHBondContact O-CD1 3.17Å; E516-I520 VanDerWaalsContact O-CG1 3.23Å; E516-I520 WeakPolarHBondContact O-CG1 3.12Å; E516-I520 PolarHBondContact O-N 2.91Å; E516-K620 WeakPolarHBondContact OE1-CD 3.45Å; E516-K620 IonicContact OE1-NZ 3.56Å; E516-K620 IonicContact OE2-NZ 3.65Å; E516-K620 PolarHBondContact OE2-NZ 3.03Å; E516-Q621 PolarHBondContact OE1-N 2.87Å
517	E	88.9	Confident	84.2	Confident	5 Å²	5	40.3 Å²	40.3	2%	0.023	19%	0.193	C	C	.	.	H	α-helix	trans	-60.2	-46.9	173.9	176.5	172.6	-168.6	0	0	111.9	K505 I507 R512 A514 L521 L545 F616 G617	K505-E517 IonicContact NZ-OE1 2.67Å; K505-E517 PolarHBondContact NZ-OE1 2.73Å; K505-E517 IonicContact NZ-OE2 2.81Å; I507-E517 WeakPolarHBondContact CD1-OE2 3.38Å; R512-E517 IonicContact CZ-OE2 3.7Å; R512-E517 IonicContact NH1-OE2 3.85Å; R512-E517 PolarHBondContact NH1-OE2 2.77Å; A514-E517 PolarHBondContact O-N 3.29Å; E517-L521 HydrophobicContact CG-CD1 4.08Å; E517-L521 WeakPolarHBondContact O-CB 3.26Å; E517-L521 WeakPolarHBondContact O-CG 3.28Å; E517-L521 PolarHBondContact O-N 3.32Å; E517-L521 VanDerWaalsContact O-N 3.14Å; E517-L545 HydrophobicContact CG-CD2 4.31Å; E517-F616 HydrophobicContact CG-CB 4.36Å; E517-G617 VanDerWaalsContact OE2-CA 3.25Å; E517-G617 WeakPolarHBondContact OE2-CA 3.41Å
518	V	89.4	Confident	84.4	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-64.3	-46.3	177.9	169	0	0	0	0	111.4	L461 L464 A514 L521 L522 V536 V543 L545	L461-V518 HydrophobicContact CD1-CG1 4.38Å; L461-V518 HydrophobicContact CD1-CG2 4.28Å; L464-V518 HydrophobicContact CD1-CG1 4.06Å; A514-V518 HydrophobicContact CB-CG2 4.41Å; A514-V518 WeakPolarHBondContact O-CB 3.4Å; A514-V518 VanDerWaalsContact O-CG2 3.23Å; A514-V518 WeakPolarHBondContact O-CG2 3.42Å; A514-V518 PolarHBondContact O-N 3.2Å; V518-L521 PolarHBondContact O-N 3.04Å; V518-L522 HydrophobicContact CG1-CD1 3.67Å; V518-L522 HydrophobicContact CG1-CG 4.23Å; V518-L522 WeakPolarHBondContact O-CB 3.49Å; V518-L522 VanDerWaalsContact O-CG 3.29Å; V518-L522 WeakPolarHBondContact O-CG 3.45Å; V518-L522 PolarHBondContact O-N 2.96Å; V518-V536 HydrophobicContact CG1-CG1 4.12Å; V518-V536 HydrophobicContact CG1-CG2 4.06Å; V518-V536 HydrophobicContact CG2-CG1 4.25Å; V518-V543 HydrophobicContact CG2-CG1 4.3Å; V518-L545 HydrophobicContact CG2-CD1 4.2Å
519	E	86.5	Confident	84.9	Confident	30 Å²	30	43.5 Å²	43.5	14%	0.14	22%	0.215	C	C	.	.	H	α-helix	trans	-64.2	-43.8	-178	-171	-174.6	140.6	0	0	112	L464 R515 E516 R523 L629	L464-E519 HydrophobicContact CD1-CB 4.41Å; L464-E519 HydrophobicContact CD2-CB 4.25Å; L464-E519 HydrophobicContact CD2-CG 3.97Å; R515-E519 WeakPolarHBondContact O-CB 3.43Å; R515-E519 PolarHBondContact O-N 2.81Å; E516-E519 PolarHBondContact O-N 3.31Å; E519-R523 VanDerWaalsContact O-CB 3.29Å; E519-R523 WeakPolarHBondContact O-CB 3.3Å; E519-R523 PolarHBondContact O-N 2.94Å; E519-R523 IonicContact OE1-CZ 2.64Å; E519-R523 IonicContact OE1-NH1 2.83Å; E519-R523 PolarHBondContact OE1-NH1 2.77Å; E519-R523 IonicContact OE1-NH2 2.83Å; E519-R523 PolarHBondContact OE1-NH2 2.68Å; E519-L629 WeakPolarHBondContact OE1-CD1 3.46Å
520	I	88.8	Confident	85.6	Confident	1 Å²	1	42.5 Å²	42.5	1%	0.005	21%	0.21	C	C	.	.	H	α-helix	trans	-62	-48.5	177.2	-70.1	167.6	0	0	0	110.3	E516 R523 H524 V589 F616 A619 Q621	E516-I520 HydrophobicContact CG-CD1 3.91Å; E516-I520 WeakPolarHBondContact O-CB 3.4Å; E516-I520 WeakPolarHBondContact O-CD1 3.17Å; E516-I520 VanDerWaalsContact O-CG1 3.23Å; E516-I520 WeakPolarHBondContact O-CG1 3.12Å; E516-I520 PolarHBondContact O-N 2.91Å; I520-R523 PolarHBondContact O-N 3.07Å; I520-H524 PolarHBondContact O-CD2 3.43Å; I520-H524 PolarHBondContact O-N 2.78Å; I520-V589 HydrophobicContact CD1-CG1 4.17Å; I520-V589 HydrophobicContact CG1-CG2 4.41Å; I520-V589 HydrophobicContact CG2-CG1 3.86Å; I520-V589 HydrophobicContact CG2-CG2 4.35Å; I520-F616 HydrophobicContact CG2-CD1 3.63Å; I520-F616 HydrophobicContact CG2-CE1 4.12Å; I520-F616 HydrophobicContact CG2-CG 4.46Å; I520-A619 HydrophobicContact CD1-CB 3.86Å; I520-Q621 HydrophobicContact CD1-CB 4.36Å; I520-Q621 HydrophobicContact CG1-CB 4.44Å
521	L	92.4	Very high	86.8	Confident	1 Å²	1	40.1 Å²	40.1	1%	0.005	19%	0.193	C	C	.	.	H	α-helix	trans	-67.9	-38.2	-178.8	-72.9	169.3	0	0	0	112.9	E517 V518 R523 H524 H525 I530 V531 V533 L545 F616	E517-L521 HydrophobicContact CG-CD1 4.08Å; E517-L521 WeakPolarHBondContact O-CB 3.26Å; E517-L521 WeakPolarHBondContact O-CG 3.28Å; E517-L521 PolarHBondContact O-N 3.32Å; E517-L521 VanDerWaalsContact O-N 3.14Å; V518-L521 PolarHBondContact O-N 3.04Å; L521-R523 VanDerWaalsContact C-N 3.31Å; L521-R523 PolarHBondContact O-N 2.91Å; L521-H524 PolarHBondContact O-N 3.1Å; L521-H525 WeakPolarHBondContact O-CA 3.35Å; L521-H525 WeakPolarHBondContact O-CB 3.34Å; L521-H525 PolarHBondContact O-N 3.34Å; L521-I530 HydrophobicContact CD2-CG2 4.04Å; L521-V531 HydrophobicContact CD2-CG1 3.87Å; L521-V533 HydrophobicContact CB-CG2 3.58Å; L521-V533 HydrophobicContact CD1-CG2 4.04Å; L521-V533 HydrophobicContact CG-CG2 4.33Å; L521-L545 HydrophobicContact CD1-CD2 3.73Å; L521-F616 HydrophobicContact CD1-CB 4.22Å; L521-F616 HydrophobicContact CD2-CB 4.19Å; L521-F616 HydrophobicContact CD2-CD2 3.53Å; L521-F616 HydrophobicContact CD2-CE2 4.04Å; L521-F616 HydrophobicContact CD2-CG 3.86Å; L521-F616 HydrophobicContact CG-CB 4.04Å; L521-F616 HydrophobicContact CG-CD2 4.32Å; L521-F616 HydrophobicContact CG-CG 4.2Å
522	L	88.8	Confident	87.8	Confident	52 Å²	52	36.3 Å²	36.3	27%	0.272	18%	0.182	S	C	.	.	H	α-helix	trans	-66.4	-31	173	-73.2	176.2	0	0	0	112.6	V518 H525 V533 V536	V518-L522 HydrophobicContact CG1-CD1 3.67Å; V518-L522 HydrophobicContact CG1-CG 4.23Å; V518-L522 WeakPolarHBondContact O-CB 3.49Å; V518-L522 VanDerWaalsContact O-CG 3.29Å; V518-L522 WeakPolarHBondContact O-CG 3.45Å; V518-L522 PolarHBondContact O-N 2.96Å; L522-H525 PolarHBondContact O-CD2 3.49Å; L522-V533 HydrophobicContact CD2-CB 4.36Å; L522-V533 HydrophobicContact CD2-CG1 3.8Å; L522-V536 HydrophobicContact CD1-CG2 4.27Å; L522-V536 HydrophobicContact CD2-CG2 4.22Å; L522-V536 HydrophobicContact CG-CG2 4.44Å
523	R	87.8	Confident	88.8	Confident	100 Å²	100	35.5 Å²	35.5	38%	0.377	18%	0.18	S	C	.	.	H	α-helix	trans	-74	-39.7	175.9	-179.5	175.8	-69.2	133.3	12.1	112.6	E519 I520 L521	E519-R523 VanDerWaalsContact O-CB 3.29Å; E519-R523 WeakPolarHBondContact O-CB 3.3Å; E519-R523 PolarHBondContact O-N 2.94Å; E519-R523 IonicContact OE1-CZ 2.64Å; E519-R523 IonicContact OE1-NH1 2.83Å; E519-R523 PolarHBondContact OE1-NH1 2.77Å; E519-R523 IonicContact OE1-NH2 2.83Å; E519-R523 PolarHBondContact OE1-NH2 2.68Å; I520-R523 PolarHBondContact O-N 3.07Å; L521-R523 VanDerWaalsContact C-N 3.31Å; L521-R523 PolarHBondContact O-N 2.91Å
524	H	89.9	Confident	89.6	Confident	3 Å²	3	38.6 Å²	38.6	1%	0.014	19%	0.188	C	C	.	.	H	α-helix	trans	-102.7	11.6	-172.3	-62	-65.3	0	0	0	114.5	I520 L521 N526 H527 I530 Y583	I520-H524 PolarHBondContact O-CD2 3.43Å; I520-H524 PolarHBondContact O-N 2.78Å; L521-H524 PolarHBondContact O-N 3.1Å; H524-N526 PolarHBondContact O-N 2.98Å; H524-H527 WeakPolarHBondContact O-CB 3.31Å; H524-H527 PolarHBondContact O-N 3.18Å; H524-I530 HydrophobicContact CB-CD1 4.02Å; H524-Y583 HydrophobicContact CB-CE1 4.31Å; H524-Y583 AromaticContact ND1-CE1 3.43Å; H524-Y583 WeakPolarHBondContact ND1-CE1 3.49Å; H524-Y583 AromaticContact ND1-CZ 3.5Å; H524-Y583 PolarHBondContact ND1-OH 2.86Å
525	H	86.4	Confident	90	Very high	81 Å²	81	39.7 Å²	39.7	38%	0.375	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-20.1	-175.7	80.3	100	0	0	0	116	L521 L522	L521-H525 WeakPolarHBondContact O-CA 3.35Å; L521-H525 WeakPolarHBondContact O-CB 3.34Å; L521-H525 PolarHBondContact O-N 3.34Å; L522-H525 PolarHBondContact O-CD2 3.49Å
526	N	84.7	Confident	90.5	Very high	129 Å²	129	36.9 Å²	36.9	69%	0.69	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.5	-7.4	178.8	-66.9	-48.7	0	0	0	113.9	H524	H524-N526 PolarHBondContact O-N 2.98Å
527	H	93.4	Very high	91.1	Very high	21 Å²	21	34.8 Å²	34.8	10%	0.097	17%	0.172	C	C	.	.			trans	-76.1	123.4	-179.7	-173.6	-85.6	0	0	0	110.1	H524 N529 I530 Y583	H524-H527 WeakPolarHBondContact O-CB 3.31Å; H524-H527 PolarHBondContact O-N 3.18Å; H527-N529 PolarHBondContact ND1-N 2.99Å; H527-N529 PolarHBondContact O-N 3.48Å; H527-I530 HydrophobicContact CB-CB 4.24Å; H527-I530 HydrophobicContact CB-CD1 3.86Å; H527-I530 HydrophobicContact CB-CG1 4.14Å; H527-I530 PolarHBondContact O-N 3.03Å; H527-I530 VanDerWaalsContact O-N 3.09Å; H527-Y583 HydrophobicContact CB-CD1 4.36Å; H527-Y583 HydrophobicContact CB-CE1 3.92Å; H527-Y583 AromaticContact CD2-CD1 3.39Å; H527-Y583 WeakPolarHBondContact CD2-CD1 3.23Å; H527-Y583 AromaticContact CD2-CD2 3.93Å; H527-Y583 AromaticContact CD2-CE1 3.7Å; H527-Y583 AromaticContact CD2-CG 3.52Å; H527-Y583 AromaticContact CG-CD1 3.85Å; H527-Y583 AromaticContact CG-CE1 3.92Å; H527-Y583 AromaticContact NE2-CD1 3.92Å; H527-Y583 AromaticContact NE2-CG 3.82Å
528	P	94.1	Very high	91	Very high	83 Å²	83	35 Å²	35	54%	0.539	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-20	-168	25.5	-35.8	0	0	0	114	R612	P528-R612 VanDerWaalsContact O-CD 3.31Å; P528-R612 WeakPolarHBondContact O-CD 3.39Å; P528-R612 PolarHBondContact O-NE 3.28Å; P528-R612 PolarHBondContact O-NH1 2.83Å
529	N	95.9	Very high	90.8	Very high	17 Å²	17	38.3 Å²	38.3	9%	0.091	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.6	19.8	179.7	-54.4	109.9	0	0	0	114.2	H527 V576 T580 S609 L611 R612 I613	H527-N529 PolarHBondContact ND1-N 2.99Å; H527-N529 PolarHBondContact O-N 3.48Å; N529-V576 HydrophobicContact CB-CG1 4.08Å; N529-T580 HydrophobicContact CB-CG2 4.33Å; N529-T580 VanDerWaalsContact CB-OG1 3.26Å; N529-T580 WeakPolarHBondContact CB-OG1 3.42Å; N529-S609 PolarHBondContact ND2-O 3.41Å; N529-L611 WeakPolarHBondContact CA-O 3.13Å; N529-L611 PolarHBondContact ND2-O 2.95Å; N529-R612 CarbonylContact O-C 3.52Å; N529-R612 WeakPolarHBondContact O-CA 3.47Å; N529-I613 PolarHBondContact O-N 3.22Å
530	I	95.6	Very high	90.4	Very high	2 Å²	2	43.5 Å²	43.5	1%	0.01	22%	0.215	C	C	.	.	B	Isolated β-bridge	trans	-114.8	141.4	170.1	-67.5	175	0	0	0	108.1	L521 H524 H527 S532 T580 Y583 L584 F616	L521-I530 HydrophobicContact CD2-CG2 4.04Å; H524-I530 HydrophobicContact CB-CD1 4.02Å; H527-I530 HydrophobicContact CB-CB 4.24Å; H527-I530 HydrophobicContact CB-CD1 3.86Å; H527-I530 HydrophobicContact CB-CG1 4.14Å; H527-I530 PolarHBondContact O-N 3.03Å; H527-I530 VanDerWaalsContact O-N 3.09Å; I530-S532 PolarHBondContact O-N 2.84Å; I530-T580 HydrophobicContact CD1-CG2 4.25Å; I530-T580 HydrophobicContact CG1-CG2 3.73Å; I530-Y583 HydrophobicContact CD1-CD1 4.21Å; I530-Y583 HydrophobicContact CD1-CE1 4.14Å; I530-L584 HydrophobicContact CD1-CD1 4.35Å; I530-L584 HydrophobicContact CD1-CD2 3.64Å; I530-L584 HydrophobicContact CD1-CG 4.04Å; I530-F616 HydrophobicContact CD1-CZ 4.17Å; I530-F616 HydrophobicContact CG1-CZ 4.11Å; I530-F616 HydrophobicContact CG2-CE2 3.8Å; I530-F616 HydrophobicContact CG2-CZ 3.84Å
531	V	95	Very high	90.2	Very high	4 Å²	4	48.5 Å²	48.5	2%	0.024	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-59	122.5	176	66.4	0	0	0	0	111	L521 M547 E548 L550 I613 C614	L521-V531 HydrophobicContact CD2-CG1 3.87Å; V531-M547 HydrophobicContact CG1-SD 4.24Å; V531-M547 HydrophobicContact CG2-CB 3.99Å; V531-M547 HydrophobicContact CG2-CG 4.37Å; V531-M547 HydrophobicContact CG2-SD 4.19Å; V531-E548 HydrophobicContact CG2-CG 3.94Å; V531-L550 HydrophobicContact CG2-CD1 4.2Å; V531-I613 PolarHBondContact N-O 3.07Å; V531-C614 HydrophobicContact CB-CB 3.94Å; V531-C614 HydrophobicContact CG1-CB 3.78Å; V531-C614 HydrophobicContact CG2-CB 4.48Å
532	S	92.8	Very high	90.1	Very high	37 Å²	37	50.6 Å²	50.6	26%	0.259	25%	0.253	S	S	.	.	P	Polyproline II helix	trans	-78.4	134.5	179.9	57.6	0	0	0	0	111.8	I530 M547 E548	I530-S532 PolarHBondContact O-N 2.84Å; S532-M547 WeakPolarHBondContact O-CA 3.33Å; S532-E548 WeakPolarHBondContact CB-OE1 3.26Å; S532-E548 PolarHBondContact N-OE1 3.49Å; S532-E548 PolarHBondContact O-N 2.99Å; S532-E548 VanDerWaalsContact O-N 3.07Å; S532-E548 PolarHBondContact OG-OE1 2.66Å
533	V	92.1	Very high	90.2	Very high	14 Å²	14	48.3 Å²	48.3	9%	0.085	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	128.1	169.7	168.8	0	0	0	0	108.8	L521 L522 V536 L545 M547	L521-V533 HydrophobicContact CB-CG2 3.58Å; L521-V533 HydrophobicContact CD1-CG2 4.04Å; L521-V533 HydrophobicContact CG-CG2 4.33Å; L522-V533 HydrophobicContact CD2-CB 4.36Å; L522-V533 HydrophobicContact CD2-CG1 3.8Å; V533-V536 HydrophobicContact CG1-CG2 3.74Å; V533-L545 HydrophobicContact CB-CD1 4.32Å; V533-L545 HydrophobicContact CG1-CD1 3.72Å; V533-L545 HydrophobicContact CG2-CD1 3.53Å; V533-L545 HydrophobicContact CG2-CG 4.14Å; V533-M547 HydrophobicContact CG2-CG 4.01Å
534	R	91	Very high	90.5	Very high	122 Å²	122	45.5 Å²	45.5	46%	0.46	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	-46.7	178.8	-178.3	178.8	175.1	96	3.9	111.8	Y476 V546	Y476-R534 VanDerWaalsContact OH-CD 3.25Å; Y476-R534 WeakPolarHBondContact OH-CD 3.4Å; Y476-R534 PolarHBondContact OH-NE 2.89Å; R534-V546 PolarHBondContact N-O 3.33Å
535	D	93.2	Very high	90.7	Very high	26 Å²	26	45.3 Å²	45.3	14%	0.139	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	150.2	-177.4	-70.6	-57.1	0	0	0	110.5	K468 Y476 Y537 V546	K468-D535 WeakPolarHBondContact CE-OD1 3.16Å; K468-D535 IonicContact NZ-OD1 2.64Å; K468-D535 PolarHBondContact NZ-OD1 2.84Å; K468-D535 IonicContact NZ-OD2 3.6Å; K468-D535 PolarHBondContact NZ-OD2 3.37Å; Y476-D535 HydrophobicContact CE2-CB 4.43Å; Y476-D535 WeakPolarHBondContact CE2-OD2 3.4Å; Y476-D535 PolarHBondContact OH-OD2 3.49Å; D535-Y537 HydrophobicContact CB-CD2 4.37Å; D535-Y537 HydrophobicContact CB-CE2 3.55Å; D535-V546 HydrophobicContact CB-CB 4.09Å; D535-V546 HydrophobicContact CB-CG2 4.2Å; D535-V546 PolarHBondContact N-O 2.82Å; D535-V546 WeakPolarHBondContact O-CA 3.42Å; D535-V546 WeakPolarHBondContact O-CB 3.4Å; D535-V546 PolarHBondContact O-N 2.91Å
536	V	93.4	Very high	91.2	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.006	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	129.5	172.2	-170.8	0	0	0	0	108.6	L461 V467 K468 V518 L522 V533 V543 Y544 L545	L461-V536 HydrophobicContact CD1-CG1 3.74Å; V467-V536 HydrophobicContact CG1-CG1 4.33Å; V467-V536 HydrophobicContact CG2-CB 4.23Å; V467-V536 HydrophobicContact CG2-CG1 4.2Å; K468-V536 PolarHBondContact N-O 3Å; V518-V536 HydrophobicContact CG1-CG1 4.12Å; V518-V536 HydrophobicContact CG1-CG2 4.06Å; V518-V536 HydrophobicContact CG2-CG1 4.25Å; L522-V536 HydrophobicContact CD1-CG2 4.27Å; L522-V536 HydrophobicContact CD2-CG2 4.22Å; L522-V536 HydrophobicContact CG-CG2 4.44Å; V533-V536 HydrophobicContact CG1-CG2 3.74Å; V536-V543 HydrophobicContact CG1-CG1 4.12Å; V536-Y544 WeakPolarHBondContact CA-O 3.14Å; V536-L545 HydrophobicContact CG2-CD1 3.86Å
537	Y	92.9	Very high	91.6	Very high	2 Å²	2	36.1 Å²	36.1	1%	0.008	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	142.6	172	-53.6	-106.6	0	0	0	110.4	K468 K470 F472 D475 Y476 D535 V543 Y544 V546	K468-Y537 HydrophobicContact CB-CD1 3.63Å; K468-Y537 HydrophobicContact CB-CE1 3.82Å; K468-Y537 HydrophobicContact CB-CG 4.25Å; K468-Y537 HydrophobicContact CD-CD1 4.08Å; K468-Y537 HydrophobicContact CD-CE1 3.41Å; K468-Y537 VanDerWaalsContact CD-CE1 3.41Å; K468-Y537 HydrophobicContact CD-CE2 4.26Å; K468-Y537 VanDerWaalsContact CD-CZ 3.48Å; K468-Y537 WeakPolarHBondContact CD-OH 3.37Å; K468-Y537 HydrophobicContact CG-CE1 4.28Å; K468-Y537 PolarHBondContact NZ-OH 2.62Å; K468-Y537 VanDerWaalsContact O-CA 3.23Å; K468-Y537 WeakPolarHBondContact O-CA 3.43Å; K470-Y537 HydrophobicContact CG-CD1 4.49Å; K470-Y537 HydrophobicContact CG-CE1 4.28Å; K470-Y537 WeakPolarHBondContact O-CD1 3.41Å; F472-Y537 HydrophobicContact CB-CD1 4.44Å; F472-Y537 HydrophobicContact CB-CD2 4.41Å; F472-Y537 HydrophobicContact CB-CG 4.16Å; F472-Y537 AromaticContact CD2-CD2 3.88Å; F472-Y537 HydrophobicContact CD2-CD2 3.88Å; F472-Y537 HydrophobicContact CD2-CE2 4.06Å; F472-Y537 HydrophobicContact CD2-CG 4.47Å; D475-Y537 VanDerWaalsContact CB-OH 3.3Å; D475-Y537 WeakPolarHBondContact CB-OH 3.29Å; D475-Y537 PolarHBondContact OD2-OH 3.45Å; Y476-Y537 HydrophobicContact CD2-CE2 4.03Å; Y476-Y537 AromaticContact CE2-CE2 3.88Å; Y476-Y537 HydrophobicContact CE2-CE2 3.88Å; Y476-Y537 AromaticContact CE2-CZ 3.99Å; Y476-Y537 WeakPolarHBondContact CE2-OH 3.43Å; D535-Y537 HydrophobicContact CB-CD2 4.37Å; D535-Y537 HydrophobicContact CB-CE2 3.55Å; Y537-V543 CarbonylContact O-C 3.59Å; Y537-V543 WeakPolarHBondContact O-CA 3.17Å; Y537-Y544 PolarHBondContact N-O 2.8Å; Y537-Y544 PolarHBondContact O-N 2.78Å; Y537-V546 HydrophobicContact CD2-CG2 4.08Å; Y537-V546 HydrophobicContact CE2-CG2 3.92Å
538	E	88	Confident	91.7	Very high	8 Å²	8	37.3 Å²	37.3	4%	0.037	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	136.3	174.2	-179.2	178.8	-172.5	0	0	110.6	R460 L461 V467 K468 Y469 K509 V543	R460-E538 VanDerWaalsContact CA-OE1 3.25Å; R460-E538 WeakPolarHBondContact CA-OE1 3.26Å; L461-E538 WeakPolarHBondContact CB-OE2 3.46Å; L461-E538 HydrophobicContact CD1-CB 4.37Å; L461-E538 PolarHBondContact N-OE2 3.23Å; V467-E538 HydrophobicContact CG1-CB 4.03Å; K468-E538 PolarHBondContact O-N 2.83Å; Y469-E538 HydrophobicContact CD1-CB 4.24Å; Y469-E538 HydrophobicContact CE1-CB 4.11Å; Y469-E538 HydrophobicContact CE1-CG 4.49Å; K509-E538 IonicContact NZ-OE1 3.47Å; K509-E538 PolarHBondContact NZ-OE1 2.91Å; E538-V543 HydrophobicContact CG-CG2 4.44Å
539	N	84.9	Confident	91.7	Very high	70 Å²	70	37 Å²	37	37%	0.374	18%	0.178	S	C	.	.			trans	-124.2	-170.6	159.2	71.3	34.8	0	0	0	110	K509 N541 L542	K509-N539 WeakPolarHBondContact CD-O 3.06Å; K509-N539 PolarHBondContact NZ-O 2.87Å; N539-N541 VanDerWaalsContact C-N 3.28Å; N539-N541 PolarHBondContact O-N 2.71Å; N539-N541 PolarHBondContact OD1-N 2.92Å; N539-L542 PolarHBondContact N-O 2.61Å; N539-L542 PolarHBondContact OD1-N 3.42Å
540	E	78.1	Confident	91.5	Very high	139 Å²	139	37.1 Å²	37.1	65%	0.65	18%	0.178	S	C	*	.	S	Bend	trans	-59.8	-39.2	-177.8	-56.2	-168.1	138.4	0	0	112.8	K509	K509-E540 WeakPolarHBondContact CE-O 3.44Å; K509-E540 PolarHBondContact NZ-O 2.86Å; K509-E540 VanDerWaalsContact NZ-O 3.15Å
541	N	84.2	Confident	91.3	Very high	107 Å²	107	42.8 Å²	42.8	57%	0.572	20%	0.203	S	C	*	.	S	Bend	trans	-114	-5.4	-166.4	-69.1	-39	0	0	0	114.8	D508 K509 N539	D508-N541 CarbonylContact C-O 3.57Å; K509-N541 WeakPolarHBondContact CA-O 3.31Å; K509-N541 VanDerWaalsContact CB-C 3.46Å; K509-N541 WeakPolarHBondContact CB-O 3.25Å; K509-N541 PolarHBondContact N-O 3.15Å; N539-N541 VanDerWaalsContact C-N 3.28Å; N539-N541 PolarHBondContact O-N 2.71Å; N539-N541 PolarHBondContact OD1-N 2.92Å
542	L	89.4	Confident	91	Very high	45 Å²	45	43.1 Å²	43.1	24%	0.236	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	147.5	-175.6	-60.8	172.1	0	0	0	111.5	I506 I507 D508 N539 Y544	I506-L542 HydrophobicContact CG2-CB 4.4Å; I506-L542 HydrophobicContact CG2-CD1 4.04Å; I506-L542 HydrophobicContact CG2-CD2 3.86Å; I506-L542 HydrophobicContact CG2-CG 4.32Å; I507-L542 CarbonylContact O-C 3.14Å; I507-L542 VanDerWaalsContact O-CA 3.31Å; I507-L542 WeakPolarHBondContact O-CA 3.47Å; D508-L542 HydrophobicContact CB-CD2 4.48Å; N539-L542 PolarHBondContact N-O 2.61Å; N539-L542 PolarHBondContact OD1-N 3.42Å; L542-Y544 HydrophobicContact CB-CD2 4.32Å; L542-Y544 HydrophobicContact CB-CE2 3.74Å; L542-Y544 HydrophobicContact CD1-CE2 4.04Å; L542-Y544 WeakPolarHBondContact CD1-OH 3.38Å
543	V	91.1	Very high	90.8	Very high	4 Å²	4	42.8 Å²	42.8	2%	0.024	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	128.3	160.9	178.1	0	0	0	0	108.2	L461 I507 K509 A514 V518 V536 Y537 E538	L461-V543 HydrophobicContact CD1-CG1 3.87Å; L461-V543 HydrophobicContact CD1-CG2 4.2Å; I507-V543 HydrophobicContact CB-CB 4.39Å; I507-V543 PolarHBondContact N-O 2.94Å; I507-V543 PolarHBondContact O-N 2.94Å; K509-V543 HydrophobicContact CD-CG2 3.93Å; K509-V543 HydrophobicContact CG-CG2 4.2Å; A514-V543 HydrophobicContact CB-CB 4.1Å; A514-V543 HydrophobicContact CB-CG1 4.17Å; A514-V543 HydrophobicContact CB-CG2 3.98Å; V518-V543 HydrophobicContact CG2-CG1 4.3Å; V536-V543 HydrophobicContact CG1-CG1 4.12Å; Y537-V543 CarbonylContact O-C 3.59Å; Y537-V543 WeakPolarHBondContact O-CA 3.17Å; E538-V543 HydrophobicContact CG-CG2 4.44Å
544	Y	95	Very high	90.6	Very high	40 Å²	40	43.9 Å²	43.9	16%	0.157	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	108.3	174.6	-58.6	-106	0	0	0	108.4	F472 V504 I506 V536 Y537 L542	F472-Y544 HydrophobicContact CB-CD1 3.91Å; F472-Y544 HydrophobicContact CB-CD2 4.17Å; F472-Y544 HydrophobicContact CB-CE1 4.12Å; F472-Y544 HydrophobicContact CB-CE2 4.36Å; F472-Y544 HydrophobicContact CB-CG 3.95Å; F472-Y544 AromaticContact CD1-CD1 3.93Å; F472-Y544 HydrophobicContact CD1-CD1 3.93Å; F472-Y544 AromaticContact CD1-CE1 3.99Å; F472-Y544 HydrophobicContact CD1-CE1 3.99Å; F472-Y544 HydrophobicContact CD2-CD1 4.08Å; F472-Y544 HydrophobicContact CD2-CG 4.28Å; F472-Y544 HydrophobicContact CE1-CD1 4.48Å; F472-Y544 AromaticContact CG-CD1 3.7Å; F472-Y544 HydrophobicContact CG-CD1 3.7Å; F472-Y544 HydrophobicContact CG-CE1 4.09Å; F472-Y544 HydrophobicContact CG-CG 4.08Å; V504-Y544 HydrophobicContact CG2-CD1 4.07Å; V504-Y544 HydrophobicContact CG2-CG 4.49Å; I506-Y544 HydrophobicContact CD1-CD1 4.16Å; I506-Y544 HydrophobicContact CD1-CE1 3.91Å; I506-Y544 HydrophobicContact CG1-CD1 3.79Å; I506-Y544 HydrophobicContact CG1-CE1 4Å; I506-Y544 HydrophobicContact CG2-CD1 4.24Å; I506-Y544 HydrophobicContact CG2-CE1 4.03Å; V536-Y544 WeakPolarHBondContact CA-O 3.14Å; Y537-Y544 PolarHBondContact N-O 2.8Å; Y537-Y544 PolarHBondContact O-N 2.78Å; L542-Y544 HydrophobicContact CB-CD2 4.32Å; L542-Y544 HydrophobicContact CB-CE2 3.74Å; L542-Y544 HydrophobicContact CD1-CE2 4.04Å; L542-Y544 WeakPolarHBondContact CD1-OH 3.38Å
545	L	94.1	Very high	90.3	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	101.9	176.6	-176.4	60.3	0	0	0	108.6	V504 K505 E517 V518 L521 V533 V536 M547	V504-L545 WeakPolarHBondContact CA-O 3.46Å; K505-L545 HydrophobicContact CB-CB 4.31Å; K505-L545 PolarHBondContact N-O 3.06Å; K505-L545 PolarHBondContact O-N 3.45Å; E517-L545 HydrophobicContact CG-CD2 4.31Å; V518-L545 HydrophobicContact CG2-CD1 4.2Å; L521-L545 HydrophobicContact CD1-CD2 3.73Å; V533-L545 HydrophobicContact CB-CD1 4.32Å; V533-L545 HydrophobicContact CG1-CD1 3.72Å; V533-L545 HydrophobicContact CG2-CD1 3.53Å; V533-L545 HydrophobicContact CG2-CG 4.14Å; V536-L545 HydrophobicContact CG2-CD1 3.86Å; L545-M547 HydrophobicContact CD2-SD 4.18Å; L545-M547 HydrophobicContact CG-CG 4.14Å; L545-M547 HydrophobicContact CG-SD 4.22Å
546	V	95.6	Very high	89.5	Confident	0 Å²	0	37 Å²	37	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	123	-179.9	-169.1	0	0	0	0	109.2	F472 Y476 C502 C503 V504 R534 D535 Y537	F472-V546 HydrophobicContact CD2-CG2 4.08Å; F472-V546 HydrophobicContact CE2-CG2 3.7Å; Y476-V546 HydrophobicContact CD1-CG1 4.5Å; Y476-V546 HydrophobicContact CD2-CG2 4.5Å; Y476-V546 HydrophobicContact CE1-CG1 3.85Å; Y476-V546 HydrophobicContact CE2-CG1 4.36Å; Y476-V546 HydrophobicContact CE2-CG2 4.27Å; C502-V546 HydrophobicContact CB-CG1 3.83Å; C503-V546 CarbonylContact O-C 3.57Å; C503-V546 WeakPolarHBondContact O-CA 3.46Å; V504-V546 HydrophobicContact CB-CG2 4.44Å; V504-V546 HydrophobicContact CG2-CG2 4.08Å; R534-V546 PolarHBondContact N-O 3.33Å; D535-V546 HydrophobicContact CB-CB 4.09Å; D535-V546 HydrophobicContact CB-CG2 4.2Å; D535-V546 PolarHBondContact N-O 2.82Å; D535-V546 WeakPolarHBondContact O-CA 3.42Å; D535-V546 WeakPolarHBondContact O-CB 3.4Å; D535-V546 PolarHBondContact O-N 2.91Å; Y537-V546 HydrophobicContact CD2-CG2 4.08Å; Y537-V546 HydrophobicContact CE2-CG2 3.92Å
547	M	94.8	Very high	88.8	Confident	17 Å²	17	39.9 Å²	39.9	8%	0.084	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	166.2	-173.6	-63.2	173.5	-64.4	0	0	110.4	C502 C503 K505 V531 S532 V533 L545	C502-M547 WeakPolarHBondContact CB-O 3.46Å; C503-M547 PolarHBondContact N-O 3.42Å; C503-M547 PolarHBondContact O-N 2.81Å; K505-M547 HydrophobicContact CB-CE 3.71Å; V531-M547 HydrophobicContact CG1-SD 4.24Å; V531-M547 HydrophobicContact CG2-CB 3.99Å; V531-M547 HydrophobicContact CG2-CG 4.37Å; V531-M547 HydrophobicContact CG2-SD 4.19Å; S532-M547 WeakPolarHBondContact O-CA 3.33Å; V533-M547 HydrophobicContact CG2-CG 4.01Å; L545-M547 HydrophobicContact CD2-SD 4.18Å; L545-M547 HydrophobicContact CG-CG 4.14Å; L545-M547 HydrophobicContact CG-SD 4.22Å
548	E	93.7	Very high	87.9	Confident	45 Å²	45	40.2 Å²	40.2	21%	0.21	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56	147.4	166.4	65.9	-175.7	114.6	0	0	111.8	C503 V531 S532 L550 R612	C503-E548 WeakPolarHBondContact CB-O 3.32Å; V531-E548 HydrophobicContact CG2-CG 3.94Å; S532-E548 WeakPolarHBondContact CB-OE1 3.26Å; S532-E548 PolarHBondContact N-OE1 3.49Å; S532-E548 PolarHBondContact O-N 2.99Å; S532-E548 VanDerWaalsContact O-N 3.07Å; S532-E548 PolarHBondContact OG-OE1 2.66Å; E548-L550 HydrophobicContact CG-CD2 3.62Å; E548-L550 HydrophobicContact CG-CG 4.36Å; E548-R612 IonicContact OE1-NE 2.76Å; E548-R612 IonicContact OE2-NE 2.72Å
549	Y	94.2	Very high	87.1	Confident	77 Å²	77	40.3 Å²	40.3	30%	0.302	20%	0.203	S	C	.	.			trans	-90.4	107.3	175.2	178.3	-100	0	0	0	109.7	I482 K492 V501 C503 K551	I482-Y549 HydrophobicContact CD1-CD2 4.17Å; I482-Y549 HydrophobicContact CD1-CE2 3.81Å; K492-Y549 HydrophobicContact CD-CE2 4.19Å; K492-Y549 HydrophobicContact CG-CD2 4.04Å; K492-Y549 HydrophobicContact CG-CE2 4Å; V501-Y549 HydrophobicContact CG1-CD1 4.07Å; V501-Y549 HydrophobicContact CG1-CD2 4.48Å; V501-Y549 HydrophobicContact CG1-CG 3.95Å; C503-Y549 HydrophobicContact CB-CD2 4.45Å; Y549-K551 HydrophobicContact CD1-CB 4.04Å; Y549-K551 HydrophobicContact CE1-CB 3.84Å; Y549-K551 HydrophobicContact CE1-CG 4.02Å; Y549-K551 PolarHBondContact O-N 2.85Å; Y549-K551 VanDerWaalsContact O-N 3.08Å
550	L	93.4	Very high	86.3	Confident	19 Å²	19	37.8 Å²	37.8	10%	0.099	19%	0.189	C	C	.	.			trans	-79	89.7	-178.3	-55.7	-179.9	0	0	0	110	V531 E548 G552 L600 Y601 A602 R612 C614	V531-L550 HydrophobicContact CG2-CD1 4.2Å; E548-L550 HydrophobicContact CG-CD2 3.62Å; E548-L550 HydrophobicContact CG-CG 4.36Å; L550-G552 PolarHBondContact O-N 2.76Å; L550-L600 HydrophobicContact CB-CB 4.06Å; L550-L600 HydrophobicContact CB-CD2 3.96Å; L550-L600 HydrophobicContact CD1-CB 3.74Å; L550-L600 HydrophobicContact CD1-CD2 4.09Å; L550-Y601 CarbonylContact C-O 3.5Å; L550-A602 HydrophobicContact CD2-CB 3.97Å; L550-R612 HydrophobicContact CD1-CB 3.94Å; L550-R612 HydrophobicContact CD1-CG 4.4Å; L550-R612 HydrophobicContact CD2-CB 4.11Å; L550-R612 HydrophobicContact CD2-CG 3.63Å; L550-C614 HydrophobicContact CD1-CB 4.38Å
551	K	91.4	Very high	85.8	Confident	121 Å²	121	39 Å²	39	53%	0.526	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-30.3	-169.2	-173.2	-176.9	178.9	-149.6	0	113.2	Y549 G553 A602 D604	Y549-K551 HydrophobicContact CD1-CB 4.04Å; Y549-K551 HydrophobicContact CE1-CB 3.84Å; Y549-K551 HydrophobicContact CE1-CG 4.02Å; Y549-K551 PolarHBondContact O-N 2.85Å; Y549-K551 VanDerWaalsContact O-N 3.08Å; K551-G553 PolarHBondContact O-N 2.55Å; K551-A602 PolarHBondContact N-O 3.17Å; K551-D604 WeakPolarHBondContact CD-OD2 3.39Å; K551-D604 WeakPolarHBondContact CE-OD2 3.49Å; K551-D604 IonicContact NZ-OD2 3.45Å; K551-D604 PolarHBondContact NZ-OD2 3.01Å
552	G	88.2	Confident	85	Confident	12 Å²	12	38.8 Å²	38.8	12%	0.124	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-8.5	-172.3	0	0	0	0	0	115.9	L550 Y601 D603	L550-G552 PolarHBondContact O-N 2.76Å; G552-Y601 WeakPolarHBondContact CA-O 3.3Å; G552-Y601 PolarHBondContact N-O 3.05Å; G552-D603 WeakPolarHBondContact CA-O 3.23Å
553	G	87.8	Confident	83.6	Confident	29 Å²	29	43.5 Å²	43.5	30%	0.299	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	79.9	-175.4	176.8	0	0	0	0	0	114.4	K551 L600 Y601	K551-G553 PolarHBondContact O-N 2.55Å; G553-L600 CarbonylContact O-C 3Å; G553-L600 VanDerWaalsContact O-CA 3.25Å; G553-L600 WeakPolarHBondContact O-CA 3.3Å; G553-L600 WeakPolarHBondContact O-CB 3.39Å; G553-Y601 PolarHBondContact O-N 3.34Å
554	E	87.8	Confident	82.4	Confident	38 Å²	38	46.5 Å²	46.5	18%	0.178	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	144.6	-179.5	-64.4	178.8	-138.2	0	0	112.1	L556 D557 K558 S597 L600 K756	E554-L556 PolarHBondContact O-N 2.98Å; E554-D557 HydrophobicContact CB-CB 4.23Å; E554-D557 PolarHBondContact O-N 3.12Å; E554-K558 PolarHBondContact O-N 3.15Å; E554-K558 VanDerWaalsContact O-N 3.14Å; E554-S597 WeakPolarHBondContact OE2-CA 3.31Å; E554-L600 HydrophobicContact CG-CD1 4.1Å; E554-L600 HydrophobicContact CG-CG 4.41Å; E554-K756 IonicContact OE1-NZ 3.42Å; E554-K756 PolarHBondContact OE1-NZ 3.13Å; E554-K756 WeakPolarHBondContact OE2-CE 3.39Å; E554-K756 IonicContact OE2-NZ 3.47Å; E554-K756 PolarHBondContact OE2-NZ 3.3Å
555	L	84.5	Confident	81.6	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-50.5	-52.3	179.1	172.7	62	0	0	0	112.5	K558 I559 I573 I577 V599 Y601 L611 I661 M665	L555-K558 PolarHBondContact O-N 3.19Å; L555-I559 HydrophobicContact CD1-CD1 3.63Å; L555-I559 HydrophobicContact CD1-CG1 4.36Å; L555-I559 HydrophobicContact CG-CD1 3.79Å; L555-I559 WeakPolarHBondContact O-CD1 3.45Å; L555-I559 VanDerWaalsContact O-CG1 3.26Å; L555-I559 WeakPolarHBondContact O-CG1 3.37Å; L555-I559 PolarHBondContact O-N 3.1Å; L555-I559 VanDerWaalsContact O-N 3.12Å; L555-I573 HydrophobicContact CD1-CD1 4.16Å; L555-I573 HydrophobicContact CD1-CG1 4.43Å; L555-I573 HydrophobicContact CD1-CG2 3.89Å; L555-I573 HydrophobicContact CD2-CG2 3.74Å; L555-I573 HydrophobicContact CG-CG2 4.45Å; L555-I577 HydrophobicContact CD2-CD1 4.12Å; L555-V599 HydrophobicContact CB-CB 4.28Å; L555-V599 HydrophobicContact CB-CG1 4.15Å; L555-V599 VanDerWaalsContact CB-O 3.28Å; L555-V599 WeakPolarHBondContact CB-O 3.46Å; L555-V599 HydrophobicContact CD2-CB 4.32Å; L555-V599 HydrophobicContact CD2-CG1 3.89Å; L555-V599 PolarHBondContact N-O 3.47Å; L555-Y601 HydrophobicContact CD1-CE2 3.78Å; L555-L611 HydrophobicContact CD1-CD2 4.07Å; L555-I661 HydrophobicContact CD2-CG2 4.22Å; L555-M665 HydrophobicContact CD2-SD 4.47Å
556	L	77.4	Confident	81.2	Confident	4 Å²	4	45.5 Å²	45.5	2%	0.021	21%	0.212	C	C	.	.	H	α-helix	trans	-69.9	-37.5	-177.8	-78.8	-174	0	0	0	112.8	E554 K558 I559 F560 P596 T664 M665 V759	E554-L556 PolarHBondContact O-N 2.98Å; L556-K558 VanDerWaalsContact C-N 3.25Å; L556-K558 PolarHBondContact O-N 2.67Å; L556-I559 HydrophobicContact CD2-CD1 4.21Å; L556-I559 PolarHBondContact O-N 2.65Å; L556-F560 HydrophobicContact CB-CD2 4.02Å; L556-F560 HydrophobicContact CB-CE2 3.75Å; L556-F560 HydrophobicContact CD1-CE2 4.09Å; L556-F560 HydrophobicContact CD1-CZ 4.49Å; L556-F560 HydrophobicContact CD2-CE2 4.13Å; L556-F560 HydrophobicContact CD2-CZ 4.18Å; L556-F560 HydrophobicContact CG-CE2 4.21Å; L556-F560 WeakPolarHBondContact O-CB 3.32Å; L556-F560 WeakPolarHBondContact O-CD2 3.43Å; L556-F560 WeakPolarHBondContact O-CG 3.36Å; L556-F560 PolarHBondContact O-N 3.37Å; L556-P596 HydrophobicContact CB-CB 4.31Å; L556-P596 HydrophobicContact CD1-CB 3.52Å; L556-P596 HydrophobicContact CD1-CG 3.48Å; L556-P596 VanDerWaalsContact CD1-CG 3.48Å; L556-P596 HydrophobicContact CG-CB 3.79Å; L556-P596 HydrophobicContact CG-CG 4.06Å; L556-T664 HydrophobicContact CD1-CG2 3.96Å; L556-T664 HydrophobicContact CD2-CG2 4.17Å; L556-M665 HydrophobicContact CD2-CG 4.43Å; L556-V759 HydrophobicContact CD1-CG2 4.25Å
557	D	79	Confident	80.9	Confident	61 Å²	61	46.1 Å²	46.1	33%	0.326	22%	0.215	S	C	.	.	H	α-helix	trans	-62.6	-36.7	179.1	-67.8	-11.4	0	0	0	111	E554 R561 K756	E554-D557 HydrophobicContact CB-CB 4.23Å; E554-D557 PolarHBondContact O-N 3.12Å; D557-R561 WeakPolarHBondContact O-CB 3.48Å; D557-R561 PolarHBondContact O-N 3.27Å; D557-R561 VanDerWaalsContact O-N 3.16Å; D557-K756 VanDerWaalsContact CG-NZ 3.28Å; D557-K756 IonicContact OD1-NZ 3.73Å; D557-K756 PolarHBondContact OD1-NZ 3.14Å; D557-K756 IonicContact OD2-NZ 3.09Å; D557-K756 PolarHBondContact OD2-NZ 3.5Å
558	K	73.9	Confident	80.8	Confident	8 Å²	8	49 Å²	49	4%	0.035	23%	0.225	C	C	.	.	H	α-helix	trans	-67.2	-50.3	173.2	-169.2	170.2	-165.1	139.9	0	112.2	E554 L555 L556 F560 R561 E562 Y601 D604	E554-K558 PolarHBondContact O-N 3.15Å; E554-K558 VanDerWaalsContact O-N 3.14Å; L555-K558 PolarHBondContact O-N 3.19Å; L556-K558 VanDerWaalsContact C-N 3.25Å; L556-K558 PolarHBondContact O-N 2.67Å; K558-F560 VanDerWaalsContact C-N 3.32Å; K558-F560 PolarHBondContact O-N 3.09Å; K558-R561 WeakPolarHBondContact O-CB 3.35Å; K558-R561 PolarHBondContact O-N 2.85Å; K558-R561 VanDerWaalsContact O-N 3.13Å; K558-E562 WeakPolarHBondContact CE-OE1 3.47Å; K558-E562 WeakPolarHBondContact CG-OE1 3.29Å; K558-E562 PolarHBondContact O-N 3.38Å; K558-Y601 HydrophobicContact CB-CD2 4.22Å; K558-Y601 HydrophobicContact CB-CE2 3.95Å; K558-Y601 HydrophobicContact CD-CD2 3.67Å; K558-Y601 HydrophobicContact CD-CE1 4.48Å; K558-Y601 HydrophobicContact CD-CE2 3.55Å; K558-Y601 HydrophobicContact CD-CG 4.2Å; K558-Y601 HydrophobicContact CG-CE2 4.25Å; K558-D604 PolarHBondContact NZ-O 3.26Å
559	I	69.9	Low	80.6	Confident	10 Å²	10	50.4 Å²	50.4	5%	0.051	23%	0.231	C	C	.	.	H	α-helix	trans	-54.6	-47.7	177.7	-71.9	165.1	0	0	0	111.3	L555 L556 R561 E562 K563 L565 I573 M665	L555-I559 HydrophobicContact CD1-CD1 3.63Å; L555-I559 HydrophobicContact CD1-CG1 4.36Å; L555-I559 HydrophobicContact CG-CD1 3.79Å; L555-I559 WeakPolarHBondContact O-CD1 3.45Å; L555-I559 VanDerWaalsContact O-CG1 3.26Å; L555-I559 WeakPolarHBondContact O-CG1 3.37Å; L555-I559 PolarHBondContact O-N 3.1Å; L555-I559 VanDerWaalsContact O-N 3.12Å; L556-I559 HydrophobicContact CD2-CD1 4.21Å; L556-I559 PolarHBondContact O-N 2.65Å; I559-R561 VanDerWaalsContact C-N 3.33Å; I559-R561 PolarHBondContact O-N 3.01Å; I559-E562 CarbonylContact O-C 3.51Å; I559-E562 PolarHBondContact O-N 2.72Å; I559-K563 PolarHBondContact O-N 3.37Å; I559-K563 VanDerWaalsContact O-N 3.07Å; I559-L565 HydrophobicContact CD1-CD1 3.74Å; I559-L565 HydrophobicContact CD1-CG 4.47Å; I559-L565 HydrophobicContact CG1-CD1 3.91Å; I559-L565 HydrophobicContact CG1-CD2 4.15Å; I559-L565 HydrophobicContact CG1-CG 4.12Å; I559-L565 HydrophobicContact CG2-CD1 4.17Å; I559-L565 HydrophobicContact CG2-CD2 4.48Å; I559-L565 HydrophobicContact CG2-CG 3.87Å; I559-I573 HydrophobicContact CD1-CD1 4.21Å; I559-M665 HydrophobicContact CD1-CG 3.99Å; I559-M665 HydrophobicContact CD1-SD 3.9Å
560	F	68.3	Low	80.4	Confident	18 Å²	18	46.7 Å²	46.7	8%	0.079	22%	0.217	C	C	.	.	H	α-helix	trans	-68.9	-30.1	-179.2	-68.5	-47.7	0	0	0	113	L556 K558 K563 T664 L749 V752 T755	L556-F560 HydrophobicContact CB-CD2 4.02Å; L556-F560 HydrophobicContact CB-CE2 3.75Å; L556-F560 HydrophobicContact CD1-CE2 4.09Å; L556-F560 HydrophobicContact CD1-CZ 4.49Å; L556-F560 HydrophobicContact CD2-CE2 4.13Å; L556-F560 HydrophobicContact CD2-CZ 4.18Å; L556-F560 HydrophobicContact CG-CE2 4.21Å; L556-F560 WeakPolarHBondContact O-CB 3.32Å; L556-F560 WeakPolarHBondContact O-CD2 3.43Å; L556-F560 WeakPolarHBondContact O-CG 3.36Å; L556-F560 PolarHBondContact O-N 3.37Å; K558-F560 VanDerWaalsContact C-N 3.32Å; K558-F560 PolarHBondContact O-N 3.09Å; F560-K563 PolarHBondContact O-N 3.27Å; F560-T664 HydrophobicContact CZ-CG2 4.45Å; F560-L749 HydrophobicContact CD1-CD1 3.78Å; F560-L749 HydrophobicContact CD1-CD2 4.25Å; F560-L749 HydrophobicContact CE1-CD1 4.21Å; F560-L749 HydrophobicContact CE1-CD2 3.83Å; F560-V752 HydrophobicContact CB-CB 4.48Å; F560-V752 HydrophobicContact CB-CG1 3.84Å; F560-V752 HydrophobicContact CB-CG2 3.8Å; F560-V752 HydrophobicContact CD2-CG1 3.6Å; F560-V752 HydrophobicContact CE2-CG1 4.42Å; F560-V752 HydrophobicContact CG-CG1 3.95Å; F560-V752 HydrophobicContact CG-CG2 4.23Å; F560-T755 HydrophobicContact CE1-CG2 4.37Å; F560-T755 HydrophobicContact CE2-CG2 4.22Å; F560-T755 HydrophobicContact CZ-CG2 3.59Å
561	R	69.2	Low	80.5	Confident	165 Å²	165	45.8 Å²	45.8	62%	0.623	21%	0.212	S	C	*	.	H	α-helix	trans	-70.2	-37.1	173.2	-170.1	-172	68.9	-167.6	0.5	112.3	D557 K558 I559 K563	D557-R561 WeakPolarHBondContact O-CB 3.48Å; D557-R561 PolarHBondContact O-N 3.27Å; D557-R561 VanDerWaalsContact O-N 3.16Å; K558-R561 WeakPolarHBondContact O-CB 3.35Å; K558-R561 PolarHBondContact O-N 2.85Å; K558-R561 VanDerWaalsContact O-N 3.13Å; I559-R561 VanDerWaalsContact C-N 3.33Å; I559-R561 PolarHBondContact O-N 3.01Å; R561-K563 PolarHBondContact O-N 2.83Å
562	E	66.4	Low	80.6	Confident	102 Å²	102	41.6 Å²	41.6	48%	0.477	20%	0.196	S	C	.	.	S	Bend	trans	-82	2.4	176.4	-74.4	153.9	-145.8	0	0	112.6	K558 I559 F564	K558-E562 WeakPolarHBondContact CE-OE1 3.47Å; K558-E562 WeakPolarHBondContact CG-OE1 3.29Å; K558-E562 PolarHBondContact O-N 3.38Å; I559-E562 CarbonylContact O-C 3.51Å; I559-E562 PolarHBondContact O-N 2.72Å; E562-F564 VanDerWaalsContact C-N 3.32Å; E562-F564 PolarHBondContact O-N 2.9Å; E562-F564 VanDerWaalsContact O-N 3.13Å
563	K	60.2	Low	80.8	Confident	144 Å²	144	41.1 Å²	41.1	63%	0.626	19%	0.19	S	C	*	.			trans	77.4	-46.8	168.3	-55.4	-179.2	-180	177.8	0	115.8	I559 F560 R561 L749	I559-K563 PolarHBondContact O-N 3.37Å; I559-K563 VanDerWaalsContact O-N 3.07Å; F560-K563 PolarHBondContact O-N 3.27Å; R561-K563 PolarHBondContact O-N 2.83Å; K563-L749 WeakPolarHBondContact O-CD1 3.16Å
564	F	65.7	Low	81.2	Confident	66 Å²	66	39.8 Å²	39.8	29%	0.289	18%	0.176	S	C	.	.			trans	-147.9	151.7	-179.6	-58.5	-77.7	0	0	0	110.9	E562 L743 L744	E562-F564 VanDerWaalsContact C-N 3.32Å; E562-F564 PolarHBondContact O-N 2.9Å; E562-F564 VanDerWaalsContact O-N 3.13Å; F564-L743 HydrophobicContact CB-CB 4.11Å; F564-L743 HydrophobicContact CB-CD2 4.23Å; F564-L744 WeakPolarHBondContact CD1-O 3.25Å
565	L	78.4	Confident	81.6	Confident	16 Å²	16	41.6 Å²	41.6	8%	0.084	18%	0.182	C	C	.	.			trans	-102.4	153.4	162	-68.2	-175	0	0	0	110.1	I559 E569 A570 I573 M665 L744	I559-L565 HydrophobicContact CD1-CD1 3.74Å; I559-L565 HydrophobicContact CD1-CG 4.47Å; I559-L565 HydrophobicContact CG1-CD1 3.91Å; I559-L565 HydrophobicContact CG1-CD2 4.15Å; I559-L565 HydrophobicContact CG1-CG 4.12Å; I559-L565 HydrophobicContact CG2-CD1 4.17Å; I559-L565 HydrophobicContact CG2-CD2 4.48Å; I559-L565 HydrophobicContact CG2-CG 3.87Å; L565-E569 HydrophobicContact CB-CB 4.32Å; L565-E569 HydrophobicContact CD2-CB 3.9Å; L565-E569 HydrophobicContact CG-CB 4.48Å; L565-A570 HydrophobicContact CD1-CB 4.3Å; L565-I573 HydrophobicContact CD1-CD1 3.65Å; L565-M665 HydrophobicContact CD1-CB 4.23Å; L565-M665 HydrophobicContact CD1-CG 4.31Å; L565-M665 HydrophobicContact CD1-SD 4.09Å; L565-L744 WeakPolarHBondContact O-CB 3.45Å; L565-L744 VanDerWaalsContact O-CG 3.25Å; L565-L744 WeakPolarHBondContact O-CG 3.48Å; L565-L744 PolarHBondContact O-N 3.33Å; L565-L744 VanDerWaalsContact O-N 3.13Å
566	S	86.2	Confident	82.1	Confident	3 Å²	3	42.3 Å²	42.3	2%	0.021	19%	0.186	C	C	.	.	B	Isolated β-bridge	trans	-78.6	162.7	157.2	65.2	0	0	0	0	111.5	R568 E569 A570 P741 E742	S566-R568 PolarHBondContact O-N 3.29Å; S566-E569 VanDerWaalsContact CB-OE2 3.27Å; S566-E569 WeakPolarHBondContact CB-OE2 3.17Å; S566-E569 PolarHBondContact N-OE2 3.04Å; S566-E569 PolarHBondContact O-N 3.31Å; S566-E569 VanDerWaalsContact OG-CD 3.28Å; S566-E569 WeakPolarHBondContact OG-CG 3.28Å; S566-E569 PolarHBondContact OG-N 2.76Å; S566-E569 PolarHBondContact OG-OE2 3.3Å; S566-A570 PolarHBondContact O-N 2.76Å; S566-A570 VanDerWaalsContact O-N 3.12Å; S566-P741 VanDerWaalsContact CB-C 3.48Å; S566-P741 WeakPolarHBondContact CB-O 3.45Å; S566-E742 WeakPolarHBondContact CA-O 3.46Å; S566-E742 VanDerWaalsContact CB-O 3.24Å; S566-E742 WeakPolarHBondContact CB-O 3.38Å
567	E	89.4	Confident	83	Confident	13 Å²	13	42.2 Å²	42.2	6%	0.061	19%	0.186	C	C	.	.	H	α-helix	trans	-61.9	-32.9	175	-162.7	174.6	165.6	0	0	111.5	S571 L666 S703 A706 W732 L739	E567-S571 WeakPolarHBondContact O-CB 3.34Å; E567-S571 PolarHBondContact O-N 3.38Å; E567-L666 HydrophobicContact CG-CD2 4.21Å; E567-S703 WeakPolarHBondContact OE1-CB 3.13Å; E567-S703 PolarHBondContact OE1-N 3.37Å; E567-S703 PolarHBondContact OE1-OG 3.28Å; E567-S703 PolarHBondContact OE2-N 2.85Å; E567-S703 VanDerWaalsContact OE2-N 3.12Å; E567-A706 WeakPolarHBondContact OE1-CB 3.49Å; E567-W732 HydrophobicContact CG-CZ2 3.71Å; E567-W732 PolarHBondContact OE1-NE1 2.93Å; E567-L739 HydrophobicContact CG-CD1 4.46Å
568	R	91.6	Very high	83.9	Confident	78 Å²	78	39.3 Å²	39.3	29%	0.294	17%	0.17	S	C	.	.	H	α-helix	trans	-60.4	-47.9	173	-179.9	-177.6	-63.4	-136.5	-6.7	112.9	S566 S571 N572 D737 L739 S740	S566-R568 PolarHBondContact O-N 3.29Å; R568-S571 PolarHBondContact O-N 2.73Å; R568-N572 PolarHBondContact O-N 3.04Å; R568-N572 PolarHBondContact O-ND2 3.25Å; R568-D737 PolarHBondContact NH1-O 3.38Å; R568-D737 PolarHBondContact NH2-O 3.27Å; R568-L739 HydrophobicContact CB-CB 4.09Å; R568-L739 VanDerWaalsContact CZ-O 3.27Å; R568-L739 PolarHBondContact NE-O 3.18Å; R568-L739 PolarHBondContact NH2-O 2.83Å; R568-S740 WeakPolarHBondContact CB-O 3.34Å; R568-S740 PolarHBondContact N-O 2.77Å
569	E	89	Confident	85	Confident	74 Å²	74	41.7 Å²	41.7	35%	0.346	18%	0.183	S	C	.	.	H	α-helix	trans	-68.6	-44.5	-178.8	-70.4	156.8	132	0	0	111.6	L565 S566 S571 N572 I573	L565-E569 HydrophobicContact CB-CB 4.32Å; L565-E569 HydrophobicContact CD2-CB 3.9Å; L565-E569 HydrophobicContact CG-CB 4.48Å; S566-E569 VanDerWaalsContact CB-OE2 3.27Å; S566-E569 WeakPolarHBondContact CB-OE2 3.17Å; S566-E569 PolarHBondContact N-OE2 3.04Å; S566-E569 PolarHBondContact O-N 3.31Å; S566-E569 VanDerWaalsContact OG-CD 3.28Å; S566-E569 WeakPolarHBondContact OG-CG 3.28Å; S566-E569 PolarHBondContact OG-N 2.76Å; S566-E569 PolarHBondContact OG-OE2 3.3Å; E569-S571 PolarHBondContact O-N 3.48Å; E569-N572 PolarHBondContact O-N 3.11Å; E569-N572 VanDerWaalsContact O-N 3.09Å; E569-I573 WeakPolarHBondContact O-CG1 3.44Å; E569-I573 PolarHBondContact O-N 3.26Å
570	A	90.7	Very high	86.3	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-57	-38	173.3	0	0	0	0	0	111.7	L565 S566 T574 M665 L666 W732	L565-A570 HydrophobicContact CD1-CB 4.3Å; S566-A570 PolarHBondContact O-N 2.76Å; S566-A570 VanDerWaalsContact O-N 3.12Å; A570-T574 WeakPolarHBondContact O-CB 3.25Å; A570-T574 PolarHBondContact O-N 3Å; A570-T574 PolarHBondContact O-OG1 3.17Å; A570-M665 HydrophobicContact CB-CB 4.25Å; A570-L666 HydrophobicContact CB-CD2 3.65Å; A570-L666 HydrophobicContact CB-CG 4.28Å; A570-W732 HydrophobicContact CB-CH2 4.26Å
571	S	94.8	Very high	87.6	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-69.9	-36.7	175.1	-174.8	0	0	0	0	113.8	E567 R568 E569 Y575 W732 R736 L739	E567-S571 WeakPolarHBondContact O-CB 3.34Å; E567-S571 PolarHBondContact O-N 3.38Å; R568-S571 PolarHBondContact O-N 2.73Å; E569-S571 PolarHBondContact O-N 3.48Å; S571-Y575 WeakPolarHBondContact O-CB 3.07Å; S571-Y575 PolarHBondContact O-N 3.42Å; S571-W732 VanDerWaalsContact CA-CZ3 3.45Å; S571-W732 PolarHBondContact OG-O 3.39Å; S571-R736 WeakPolarHBondContact OG-CB 3.32Å; S571-L739 VanDerWaalsContact CB-CD1 3.41Å
572	N	93.5	Very high	88.8	Confident	33 Å²	33	33.7 Å²	33.7	18%	0.176	16%	0.156	C	C	.	.	H	α-helix	trans	-67	-42.1	175.9	-79.4	-36.1	0	0	0	111.9	R568 E569 Y575 V576 I608 R736	R568-N572 PolarHBondContact O-N 3.04Å; R568-N572 PolarHBondContact O-ND2 3.25Å; E569-N572 PolarHBondContact O-N 3.11Å; E569-N572 VanDerWaalsContact O-N 3.09Å; N572-Y575 WeakPolarHBondContact O-CB 3.23Å; N572-Y575 PolarHBondContact O-N 3.47Å; N572-V576 PolarHBondContact O-N 2.96Å; N572-I608 HydrophobicContact CB-CD1 3.8Å; N572-I608 HydrophobicContact CB-CG1 4.47Å; N572-I608 HydrophobicContact CB-CG2 4.31Å; N572-R736 WeakPolarHBondContact OD1-CD 3.08Å; N572-R736 PolarHBondContact OD1-NE 2.95Å
573	I	93.3	Very high	90.2	Very high	2 Å²	2	32.3 Å²	32.3	1%	0.01	15%	0.147	C	C	.	.	H	α-helix	trans	-63.7	-46.8	174.8	-65.5	157.8	0	0	0	110.3	L555 I559 L565 E569 Y575 V576 I577 I608 L611 M665	L555-I573 HydrophobicContact CD1-CD1 4.16Å; L555-I573 HydrophobicContact CD1-CG1 4.43Å; L555-I573 HydrophobicContact CD1-CG2 3.89Å; L555-I573 HydrophobicContact CD2-CG2 3.74Å; L555-I573 HydrophobicContact CG-CG2 4.45Å; I559-I573 HydrophobicContact CD1-CD1 4.21Å; L565-I573 HydrophobicContact CD1-CD1 3.65Å; E569-I573 WeakPolarHBondContact O-CG1 3.44Å; E569-I573 PolarHBondContact O-N 3.26Å; I573-Y575 VanDerWaalsContact C-N 3.29Å; I573-Y575 PolarHBondContact O-N 2.87Å; I573-V576 PolarHBondContact O-N 2.89Å; I573-I577 HydrophobicContact CG2-CD1 3.94Å; I573-I577 WeakPolarHBondContact O-CG1 3.27Å; I573-I577 PolarHBondContact O-N 3.39Å; I573-I577 VanDerWaalsContact O-N 3.14Å; I573-I608 HydrophobicContact CG1-CG1 4.33Å; I573-L611 HydrophobicContact CG1-CD1 4.39Å; I573-L611 HydrophobicContact CG2-CD1 4.17Å; I573-M665 HydrophobicContact CB-CE 4.19Å; I573-M665 HydrophobicContact CB-SD 4.04Å; I573-M665 HydrophobicContact CD1-SD 3.92Å; I573-M665 HydrophobicContact CG2-CE 3.9Å; I573-M665 HydrophobicContact CG2-SD 3.66Å
574	T	95.4	Very high	91.7	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-60.7	-38.8	178	-55.1	0	0	0	0	111.5	A570 A578 L658 M662 M665 I727 W732 I733	A570-T574 WeakPolarHBondContact O-CB 3.25Å; A570-T574 PolarHBondContact O-N 3Å; A570-T574 PolarHBondContact O-OG1 3.17Å; T574-A578 WeakPolarHBondContact O-CB 3.34Å; T574-A578 PolarHBondContact O-N 3.38Å; T574-L658 HydrophobicContact CG2-CD2 4.35Å; T574-L658 HydrophobicContact CG2-CG 4.44Å; T574-M662 HydrophobicContact CG2-SD 4.25Å; T574-M665 WeakPolarHBondContact OG1-CE 3.48Å; T574-I727 HydrophobicContact CG2-CG2 4.48Å; T574-W732 HydrophobicContact CG2-CZ3 4.31Å; T574-I733 HydrophobicContact CG2-CD1 3.83Å
575	Y	96.8	Very high	92.9	Very high	76 Å²	76	23.9 Å²	23.9	30%	0.298	11%	0.11	S	C	.	.	H	α-helix	trans	-58.6	-49.2	174.2	170.8	-99.2	0	0	0	112.3	S571 N572 I573 I577 A578 N579 L728 I733	S571-Y575 WeakPolarHBondContact O-CB 3.07Å; S571-Y575 PolarHBondContact O-N 3.42Å; N572-Y575 WeakPolarHBondContact O-CB 3.23Å; N572-Y575 PolarHBondContact O-N 3.47Å; I573-Y575 VanDerWaalsContact C-N 3.29Å; I573-Y575 PolarHBondContact O-N 2.87Å; Y575-I577 PolarHBondContact O-N 2.93Å; Y575-A578 PolarHBondContact O-N 2.76Å; Y575-N579 VanDerWaalsContact O-CB 3.22Å; Y575-N579 WeakPolarHBondContact O-CB 3.37Å; Y575-N579 PolarHBondContact O-N 2.95Å; Y575-L728 HydrophobicContact CD2-CD2 3.66Å; Y575-L728 HydrophobicContact CE2-CD2 3.86Å; Y575-I733 HydrophobicContact CD2-CG2 3.61Å; Y575-I733 HydrophobicContact CG-CG2 4.3Å
576	V	96.1	Very high	93.3	Very high	16 Å²	16	26.8 Å²	26.8	10%	0.097	13%	0.132	C	C	.	.	H	α-helix	trans	-64	-43.7	-178.5	170.9	0	0	0	0	111.9	N529 N572 I573 N579 T580 I608 L611	N529-V576 HydrophobicContact CB-CG1 4.08Å; N572-V576 PolarHBondContact O-N 2.96Å; I573-V576 PolarHBondContact O-N 2.89Å; V576-N579 PolarHBondContact O-N 2.79Å; V576-T580 WeakPolarHBondContact O-CB 3.33Å; V576-T580 PolarHBondContact O-N 2.86Å; V576-T580 PolarHBondContact O-OG1 3.02Å; V576-I608 HydrophobicContact CB-CG2 4.38Å; V576-I608 HydrophobicContact CG2-CG2 3.55Å; V576-L611 HydrophobicContact CG1-CB 4.21Å; V576-L611 HydrophobicContact CG1-CD1 4.41Å
577	I	96.3	Very high	93.1	Very high	2 Å²	2	28.2 Å²	28.2	1%	0.01	14%	0.14	C	C	.	.	H	α-helix	trans	-67.9	-44.6	178.7	-54.1	166.7	0	0	0	110.1	L555 I573 Y575 N579 T580 L581 L594 V599 I613 L658	L555-I577 HydrophobicContact CD2-CD1 4.12Å; I573-I577 HydrophobicContact CG2-CD1 3.94Å; I573-I577 WeakPolarHBondContact O-CG1 3.27Å; I573-I577 PolarHBondContact O-N 3.39Å; I573-I577 VanDerWaalsContact O-N 3.14Å; Y575-I577 PolarHBondContact O-N 2.93Å; I577-N579 VanDerWaalsContact C-N 3.32Å; I577-N579 PolarHBondContact O-N 2.84Å; I577-T580 PolarHBondContact O-N 3.19Å; I577-L581 HydrophobicContact CG2-CD1 4.34Å; I577-L581 HydrophobicContact CG2-CG 4.38Å; I577-L581 WeakPolarHBondContact O-CG 3.32Å; I577-L581 PolarHBondContact O-N 2.73Å; I577-L594 HydrophobicContact CG2-CD1 4.45Å; I577-L594 HydrophobicContact CG2-CD2 4.1Å; I577-V599 HydrophobicContact CD1-CG1 4.09Å; I577-V599 HydrophobicContact CG1-CG1 4.35Å; I577-I613 HydrophobicContact CG2-CD1 4.04Å; I577-L658 HydrophobicContact CB-CD1 3.74Å; I577-L658 HydrophobicContact CB-CD2 4.24Å; I577-L658 HydrophobicContact CD1-CD1 3.82Å; I577-L658 HydrophobicContact CG1-CD1 4.39Å; I577-L658 HydrophobicContact CG2-CD1 3.68Å; I577-L658 HydrophobicContact CG2-CD2 4.12Å; I577-L658 HydrophobicContact CG2-CG 4.4Å
578	A	97.3	Very high	92.7	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-61.6	-37.3	176.3	0	0	0	0	0	112.7	T574 Y575 L581 S582 L658 I727 L728	T574-A578 WeakPolarHBondContact O-CB 3.34Å; T574-A578 PolarHBondContact O-N 3.38Å; Y575-A578 PolarHBondContact O-N 2.76Å; A578-L581 PolarHBondContact O-N 2.89Å; A578-S582 VanDerWaalsContact O-CB 3.31Å; A578-S582 WeakPolarHBondContact O-CB 3.4Å; A578-S582 PolarHBondContact O-N 3.31Å; A578-L658 HydrophobicContact CB-CD2 3.92Å; A578-I727 HydrophobicContact CB-CB 4.13Å; A578-I727 HydrophobicContact CB-CG2 3.69Å; A578-L728 HydrophobicContact CB-CD2 3.93Å; A578-L728 HydrophobicContact CB-CG 4.38Å
579	N	97	Very high	92.4	Very high	57 Å²	57	26.1 Å²	26.1	31%	0.305	13%	0.134	S	C	.	.	H	α-helix	trans	-66	-43.6	176.7	-172.2	69.9	0	0	0	111.1	Y575 V576 I577 S582 Y583 L728	Y575-N579 VanDerWaalsContact O-CB 3.22Å; Y575-N579 WeakPolarHBondContact O-CB 3.37Å; Y575-N579 PolarHBondContact O-N 2.95Å; V576-N579 PolarHBondContact O-N 2.79Å; I577-N579 VanDerWaalsContact C-N 3.32Å; I577-N579 PolarHBondContact O-N 2.84Å; N579-S582 PolarHBondContact O-N 2.67Å; N579-Y583 PolarHBondContact O-N 3.25Å; N579-L728 HydrophobicContact CB-CD1 4.45Å; N579-L728 HydrophobicContact CB-CD2 4.02Å
580	T	96.8	Very high	92.3	Very high	1 Å²	1	22.6 Å²	22.6	1%	0.006	12%	0.117	C	C	.	.	H	α-helix	trans	-64.9	-43	176.5	-50.8	0	0	0	0	111.9	N529 I530 V576 I577 Y583 L584 I613	N529-T580 HydrophobicContact CB-CG2 4.33Å; N529-T580 VanDerWaalsContact CB-OG1 3.26Å; N529-T580 WeakPolarHBondContact CB-OG1 3.42Å; I530-T580 HydrophobicContact CD1-CG2 4.25Å; I530-T580 HydrophobicContact CG1-CG2 3.73Å; V576-T580 WeakPolarHBondContact O-CB 3.33Å; V576-T580 PolarHBondContact O-N 2.86Å; V576-T580 PolarHBondContact O-OG1 3.02Å; I577-T580 PolarHBondContact O-N 3.19Å; T580-Y583 PolarHBondContact O-N 3.27Å; T580-L584 HydrophobicContact CG2-CD1 4.48Å; T580-L584 WeakPolarHBondContact O-CG 3.15Å; T580-L584 PolarHBondContact O-N 3.33Å; T580-I613 HydrophobicContact CG2-CD1 3.58Å; T580-I613 HydrophobicContact CG2-CG1 4.16Å
581	L	95.7	Very high	92.1	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-63.6	-41.7	173.3	-70.6	179.8	0	0	0	111.7	I577 A578 Y583 L584 H585 L594 D654 L658 A724	I577-L581 HydrophobicContact CG2-CD1 4.34Å; I577-L581 HydrophobicContact CG2-CG 4.38Å; I577-L581 WeakPolarHBondContact O-CG 3.32Å; I577-L581 PolarHBondContact O-N 2.73Å; A578-L581 PolarHBondContact O-N 2.89Å; L581-Y583 VanDerWaalsContact C-N 3.27Å; L581-Y583 PolarHBondContact O-N 3.02Å; L581-L584 PolarHBondContact O-N 3Å; L581-H585 VanDerWaalsContact O-CB 3.29Å; L581-H585 WeakPolarHBondContact O-CB 3.41Å; L581-H585 PolarHBondContact O-CD2 2.88Å; L581-H585 PolarHBondContact O-N 2.65Å; L581-L594 HydrophobicContact CD1-CD2 3.87Å; L581-L594 HydrophobicContact CD2-CD2 4.29Å; L581-L594 HydrophobicContact CG-CD2 4.47Å; L581-D654 HydrophobicContact CD1-CB 4Å; L581-D654 HydrophobicContact CD2-CB 3.8Å; L581-L658 HydrophobicContact CD1-CB 4.31Å; L581-L658 HydrophobicContact CD1-CD2 4.07Å; L581-A724 HydrophobicContact CB-CB 3.8Å
582	S	94.9	Very high	91.5	Very high	25 Å²	25	26.8 Å²	26.8	18%	0.175	13%	0.133	C	C	.	.	H	α-helix	trans	-64.3	-33	177.3	-167.9	0	0	0	0	112.3	A578 N579 S586	A578-S582 VanDerWaalsContact O-CB 3.31Å; A578-S582 WeakPolarHBondContact O-CB 3.4Å; A578-S582 PolarHBondContact O-N 3.31Å; N579-S582 PolarHBondContact O-N 2.67Å; S582-S586 VanDerWaalsContact O-CB 3.3Å; S582-S586 WeakPolarHBondContact O-CB 3.44Å; S582-S586 PolarHBondContact O-N 2.63Å; S582-S586 VanDerWaalsContact O-N 3.12Å; S582-S586 PolarHBondContact O-OG 3.1Å; S582-S586 VanDerWaalsContact O-OG 3.09Å
583	Y	94.9	Very high	91.1	Very high	73 Å²	73	25.5 Å²	25.5	29%	0.286	13%	0.126	S	C	.	.	H	α-helix	trans	-67.8	-47.6	170.8	169.3	-97.4	0	0	0	111.9	H524 H527 I530 N579 T580 L581 S586 N587	H524-Y583 HydrophobicContact CB-CE1 4.31Å; H524-Y583 AromaticContact ND1-CE1 3.43Å; H524-Y583 WeakPolarHBondContact ND1-CE1 3.49Å; H524-Y583 AromaticContact ND1-CZ 3.5Å; H524-Y583 PolarHBondContact ND1-OH 2.86Å; H527-Y583 HydrophobicContact CB-CD1 4.36Å; H527-Y583 HydrophobicContact CB-CE1 3.92Å; H527-Y583 AromaticContact CD2-CD1 3.39Å; H527-Y583 WeakPolarHBondContact CD2-CD1 3.23Å; H527-Y583 AromaticContact CD2-CD2 3.93Å; H527-Y583 AromaticContact CD2-CE1 3.7Å; H527-Y583 AromaticContact CD2-CG 3.52Å; H527-Y583 AromaticContact CG-CD1 3.85Å; H527-Y583 AromaticContact CG-CE1 3.92Å; H527-Y583 AromaticContact NE2-CD1 3.92Å; H527-Y583 AromaticContact NE2-CG 3.82Å; I530-Y583 HydrophobicContact CD1-CD1 4.21Å; I530-Y583 HydrophobicContact CD1-CE1 4.14Å; N579-Y583 PolarHBondContact O-N 3.25Å; T580-Y583 PolarHBondContact O-N 3.27Å; L581-Y583 VanDerWaalsContact C-N 3.27Å; L581-Y583 PolarHBondContact O-N 3.02Å; Y583-S586 PolarHBondContact O-N 2.86Å; Y583-S586 PolarHBondContact O-OG 2.85Å; Y583-N587 WeakPolarHBondContact CE2-ND2 3.32Å; Y583-N587 PolarHBondContact O-N 2.95Å; Y583-N587 VanDerWaalsContact O-N 3.07Å; Y583-N587 PolarHBondContact O-ND2 3.19Å
584	L	92.8	Very high	90.8	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-61.5	-49.2	177.9	-73.4	170.9	0	0	0	111.7	I530 T580 L581 S586 N587 M588 V589 F616	I530-L584 HydrophobicContact CD1-CD1 4.35Å; I530-L584 HydrophobicContact CD1-CD2 3.64Å; I530-L584 HydrophobicContact CD1-CG 4.04Å; T580-L584 HydrophobicContact CG2-CD1 4.48Å; T580-L584 WeakPolarHBondContact O-CG 3.15Å; T580-L584 PolarHBondContact O-N 3.33Å; L581-L584 PolarHBondContact O-N 3Å; L584-S586 VanDerWaalsContact C-N 3.32Å; L584-S586 PolarHBondContact O-N 3.42Å; L584-N587 CarbonylContact O-C 3.56Å; L584-N587 VanDerWaalsContact O-C 3.28Å; L584-N587 WeakPolarHBondContact O-CA 3.22Å; L584-N587 PolarHBondContact O-N 2.95Å; L584-M588 PolarHBondContact O-N 2.79Å; L584-M588 VanDerWaalsContact O-N 3.15Å; L584-V589 CarbonylContact C-O 3.55Å; L584-V589 HydrophobicContact CB-CB 4.34Å; L584-V589 HydrophobicContact CD2-CB 4.07Å; L584-V589 HydrophobicContact CD2-CG1 3.94Å; L584-V589 PolarHBondContact O-N 2.8Å; L584-V589 VanDerWaalsContact O-O 3.11Å; L584-F616 HydrophobicContact CD1-CE1 3.8Å; L584-F616 HydrophobicContact CD1-CZ 3.87Å; L584-F616 HydrophobicContact CD2-CE1 3.79Å; L584-F616 HydrophobicContact CD2-CZ 4.27Å; L584-F616 HydrophobicContact CG-CE1 4.47Å
585	H	89.4	Confident	90.3	Very high	32 Å²	32	27.7 Å²	27.7	15%	0.148	14%	0.136	C	C	.	.	H	α-helix	trans	-62.6	-36.9	-179.9	-64.4	174.9	0	0	0	111.8	L581 N587 M588 V589 A651 D654	L581-H585 VanDerWaalsContact O-CB 3.29Å; L581-H585 WeakPolarHBondContact O-CB 3.41Å; L581-H585 PolarHBondContact O-CD2 2.88Å; L581-H585 PolarHBondContact O-N 2.65Å; H585-N587 VanDerWaalsContact C-N 3.31Å; H585-M588 PolarHBondContact O-N 2.94Å; H585-M588 VanDerWaalsContact O-N 3.13Å; H585-V589 PolarHBondContact CD2-O 3.36Å; H585-V589 PolarHBondContact N-O 3.11Å; H585-A651 PolarHBondContact CE1-O 3.44Å; H585-A651 VanDerWaalsContact CE1-O 3.31Å; H585-D654 IonicContact CD2-OD2 3.51Å; H585-D654 IonicContact CE1-OD2 2.73Å; H585-D654 IonicContact NE2-OD2 2.87Å; H585-D654 PolarHBondContact NE2-OD2 3.12Å
586	S	86.9	Confident	89.6	Confident	77 Å²	77	24.3 Å²	24.3	54%	0.538	12%	0.123	S	C	.	.	H	α-helix	trans	-72.4	-22.9	174.3	70	0	0	0	0	113.7	S582 Y583 L584 M588	S582-S586 VanDerWaalsContact O-CB 3.3Å; S582-S586 WeakPolarHBondContact O-CB 3.44Å; S582-S586 PolarHBondContact O-N 2.63Å; S582-S586 VanDerWaalsContact O-N 3.12Å; S582-S586 PolarHBondContact O-OG 3.1Å; S582-S586 VanDerWaalsContact O-OG 3.09Å; Y583-S586 PolarHBondContact O-N 2.86Å; Y583-S586 PolarHBondContact O-OG 2.85Å; L584-S586 VanDerWaalsContact C-N 3.32Å; L584-S586 PolarHBondContact O-N 3.42Å; S586-M588 VanDerWaalsContact C-N 3.27Å
587	N	83.6	Confident	88.9	Confident	34 Å²	34	25.5 Å²	25.5	18%	0.182	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.1	16.3	169.1	-73.3	-95.1	0	0	0	112.6	Y583 L584 H585 V589 Q621	Y583-N587 WeakPolarHBondContact CE2-ND2 3.32Å; Y583-N587 PolarHBondContact O-N 2.95Å; Y583-N587 VanDerWaalsContact O-N 3.07Å; Y583-N587 PolarHBondContact O-ND2 3.19Å; L584-N587 CarbonylContact O-C 3.56Å; L584-N587 VanDerWaalsContact O-C 3.28Å; L584-N587 WeakPolarHBondContact O-CA 3.22Å; L584-N587 PolarHBondContact O-N 2.95Å; H585-N587 VanDerWaalsContact C-N 3.31Å; N587-V589 PolarHBondContact O-N 2.75Å; N587-Q621 PolarHBondContact O-NE2 3.3Å
588	M	79.5	Confident	88.6	Confident	46 Å²	46	25.8 Å²	25.8	23%	0.227	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.4	23.8	176.5	-54.3	-54.1	-68.7	0	0	114.1	L584 H585 S586 Q621 L622 Q647	L584-M588 PolarHBondContact O-N 2.79Å; L584-M588 VanDerWaalsContact O-N 3.15Å; H585-M588 PolarHBondContact O-N 2.94Å; H585-M588 VanDerWaalsContact O-N 3.13Å; S586-M588 VanDerWaalsContact C-N 3.27Å; M588-Q621 VanDerWaalsContact C-NE2 3.35Å; M588-Q621 PolarHBondContact O-NE2 2.91Å; M588-Q621 VanDerWaalsContact O-NE2 3.11Å; M588-L622 HydrophobicContact CB-CB 4.2Å; M588-L622 HydrophobicContact CE-CB 4.22Å; M588-L622 HydrophobicContact CE-CD1 4.09Å; M588-L622 WeakPolarHBondContact O-CB 3.47Å; M588-L622 WeakPolarHBondContact O-CG 3.25Å; M588-L622 PolarHBondContact O-N 3.01Å; M588-Q647 VanDerWaalsContact CE-CD 3.42Å; M588-Q647 HydrophobicContact CE-CG 4.25Å
589	V	86	Confident	88.4	Confident	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	132.4	173.9	177.7	0	0	0	0	109.8	I520 L584 H585 N587 A619 K620	I520-V589 HydrophobicContact CD1-CG1 4.17Å; I520-V589 HydrophobicContact CG1-CG2 4.41Å; I520-V589 HydrophobicContact CG2-CG1 3.86Å; I520-V589 HydrophobicContact CG2-CG2 4.35Å; L584-V589 CarbonylContact C-O 3.55Å; L584-V589 HydrophobicContact CB-CB 4.34Å; L584-V589 HydrophobicContact CD2-CB 4.07Å; L584-V589 HydrophobicContact CD2-CG1 3.94Å; L584-V589 PolarHBondContact O-N 2.8Å; L584-V589 VanDerWaalsContact O-O 3.11Å; H585-V589 PolarHBondContact CD2-O 3.36Å; H585-V589 PolarHBondContact N-O 3.11Å; N587-V589 PolarHBondContact O-N 2.75Å; V589-A619 HydrophobicContact CG1-CB 4.43Å; V589-K620 WeakPolarHBondContact CA-O 3.23Å
590	V	86.1	Confident	88.2	Confident	1 Å²	1	24.6 Å²	24.6	1%	0.006	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	136.2	171.8	-175.6	0	0	0	0	108.9	R592 A619 K620 L622 H650 D654	V590-R592 HydrophobicContact CB-CG 4.18Å; V590-R592 HydrophobicContact CG1-CG 3.62Å; V590-A619 CarbonylContact O-C 3.52Å; V590-A619 WeakPolarHBondContact O-CA 3.43Å; V590-K620 PolarHBondContact N-O 3.29Å; V590-K620 PolarHBondContact O-N 2.87Å; V590-L622 HydrophobicContact CG2-CD1 3.78Å; V590-L622 HydrophobicContact CG2-CG 4.31Å; V590-H650 HydrophobicContact CB-CB 4.42Å; V590-H650 HydrophobicContact CG1-CB 4.09Å; V590-H650 VanDerWaalsContact CG1-O 3.25Å; V590-H650 WeakPolarHBondContact CG1-O 3.44Å; V590-H650 HydrophobicContact CG2-CB 4.01Å; V590-D654 VanDerWaalsContact CG1-OD2 3.25Å; V590-D654 WeakPolarHBondContact CG1-OD2 3.36Å
591	H	87.9	Confident	88.1	Confident	0 Å²	0	25 Å²	25	0%	0	13%	0.129	C	C	.	.			trans	-77.5	-41.5	-174.6	-166.2	-87.6	0	0	0	112.9	D593 L594 I613 C614 D615 F616 F618 A619 D654	H591-D593 PolarHBondContact CE1-O 2.88Å; H591-D593 VanDerWaalsContact ND1-C 3.27Å; H591-D593 PolarHBondContact ND1-O 2.85Å; H591-D593 PolarHBondContact O-N 3.03Å; H591-L594 PolarHBondContact ND1-N 3.02Å; H591-I613 WeakPolarHBondContact NE2-CG2 3.39Å; H591-C614 PolarHBondContact CE1-O 2.92Å; H591-C614 PolarHBondContact NE2-O 2.85Å; H591-D615 PolarHBondContact CE1-O 2.78Å; H591-D615 PolarHBondContact NE2-O 3.05Å; H591-F616 AromaticContact CD2-CD1 3.92Å; H591-F616 AromaticContact CD2-CE1 3.78Å; H591-F616 AromaticContact CD2-CE2 3.92Å; H591-F616 AromaticContact CD2-CZ 3.79Å; H591-F616 AromaticContact NE2-CD2 3.82Å; H591-F616 AromaticContact NE2-CE2 3.91Å; H591-F618 CarbonylContact O-C 3.28Å; H591-A619 WeakPolarHBondContact O-CA 3.14Å; H591-A619 PolarHBondContact O-N 2.98Å; H591-D654 PolarHBondContact N-OD1 3.21Å; H591-D654 PolarHBondContact N-OD2 2.89Å
592	R	82.2	Confident	87.9	Confident	87 Å²	87	25.7 Å²	25.7	33%	0.328	14%	0.135	S	C	.	.	S	Bend	trans	61.9	-17.6	178	-54.7	-169.5	-61.7	167.4	1.4	117.5	V590 F618 D654	V590-R592 HydrophobicContact CB-CG 4.18Å; V590-R592 HydrophobicContact CG1-CG 3.62Å; R592-F618 HydrophobicContact CB-CB 4.5Å; R592-F618 PolarHBondContact NE-O 2.9Å; R592-F618 PolarHBondContact NH2-O 3.44Å; R592-D654 WeakPolarHBondContact CA-OD1 3.39Å; R592-D654 PolarHBondContact N-OD1 3.14Å
593	D	84.3	Confident	87.7	Confident	7 Å²	7	27.7 Å²	27.7	4%	0.037	14%	0.143	C	C	.	.			trans	-126	44.2	173.6	-173.2	36.5	0	0	0	111.3	H591 K595 N598 F618	H591-D593 PolarHBondContact CE1-O 2.88Å; H591-D593 VanDerWaalsContact ND1-C 3.27Å; H591-D593 PolarHBondContact ND1-O 2.85Å; H591-D593 PolarHBondContact O-N 3.03Å; D593-K595 PolarHBondContact O-N 3.4Å; D593-K595 IonicContact OD1-NZ 3.34Å; D593-K595 PolarHBondContact OD1-NZ 3.16Å; D593-K595 IonicContact OD2-NZ 2.63Å; D593-K595 PolarHBondContact OD2-NZ 3.01Å; D593-N598 PolarHBondContact O-ND2 3.13Å; D593-N598 PolarHBondContact OD2-ND2 3.12Å; D593-F618 HydrophobicContact CB-CB 3.82Å; D593-F618 HydrophobicContact CB-CD2 3.59Å; D593-F618 HydrophobicContact CB-CG 4.03Å; D593-F618 WeakPolarHBondContact OD2-CD2 3.5Å
594	L	88.1	Confident	87.3	Confident	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.152	C	C	.	.			trans	-73.9	121.9	173.5	-176.2	71.6	0	0	0	109.4	I577 L581 H591 V599 I613 S657 L658 I661 F763	I577-L594 HydrophobicContact CG2-CD1 4.45Å; I577-L594 HydrophobicContact CG2-CD2 4.1Å; L581-L594 HydrophobicContact CD1-CD2 3.87Å; L581-L594 HydrophobicContact CD2-CD2 4.29Å; L581-L594 HydrophobicContact CG-CD2 4.47Å; H591-L594 PolarHBondContact ND1-N 3.02Å; L594-V599 HydrophobicContact CD1-CG2 3.86Å; L594-I613 HydrophobicContact CD1-CD1 4.21Å; L594-I613 HydrophobicContact CD1-CG2 4.09Å; L594-S657 VanDerWaalsContact O-CB 3.23Å; L594-S657 WeakPolarHBondContact O-CB 3.44Å; L594-S657 PolarHBondContact O-OG 3.33Å; L594-L658 HydrophobicContact CD2-CB 4.16Å; L594-I661 HydrophobicContact CG-CD1 4.24Å; L594-F763 WeakPolarHBondContact O-CE1 3.35Å
595	K	83.8	Confident	87	Confident	47 Å²	47	32.3 Å²	32.3	20%	0.204	18%	0.18	C	C	.	.			trans	-157	163.8	178.9	58.5	-179.1	177.2	-122.7	0	109.7	D593 S597 N598 F763	D593-K595 PolarHBondContact O-N 3.4Å; D593-K595 IonicContact OD1-NZ 3.34Å; D593-K595 PolarHBondContact OD1-NZ 3.16Å; D593-K595 IonicContact OD2-NZ 2.63Å; D593-K595 PolarHBondContact OD2-NZ 3.01Å; K595-S597 VanDerWaalsContact C-N 3.31Å; K595-S597 WeakPolarHBondContact CD-OG 3.37Å; K595-S597 WeakPolarHBondContact CE-OG 3.44Å; K595-S597 PolarHBondContact O-N 3.22Å; K595-N598 WeakPolarHBondContact CE-ND2 3.35Å; K595-N598 VanDerWaalsContact CE-OD1 3.32Å; K595-N598 WeakPolarHBondContact CE-OD1 3.37Å; K595-N598 HydrophobicContact CG-CB 4.07Å; K595-N598 WeakPolarHBondContact O-CA 3.2Å; K595-N598 WeakPolarHBondContact O-CB 3.35Å; K595-N598 PolarHBondContact O-N 3.16Å; K595-F763 HydrophobicContact CB-CD1 4.12Å; K595-F763 HydrophobicContact CB-CD2 3.97Å; K595-F763 HydrophobicContact CB-CE1 4.18Å; K595-F763 HydrophobicContact CB-CE2 4.04Å; K595-F763 HydrophobicContact CB-CG 4.03Å; K595-F763 HydrophobicContact CB-CZ 4.14Å
596	P	82.8	Confident	86.5	Confident	5 Å²	5	31.7 Å²	31.7	3%	0.032	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-53.7	-37.6	-178.2	-35.9	42.7	0	0	0	116.4	L556 N598 V599 I661 V759	L556-P596 HydrophobicContact CB-CB 4.31Å; L556-P596 HydrophobicContact CD1-CB 3.52Å; L556-P596 HydrophobicContact CD1-CG 3.48Å; L556-P596 VanDerWaalsContact CD1-CG 3.48Å; L556-P596 HydrophobicContact CG-CB 3.79Å; L556-P596 HydrophobicContact CG-CG 4.06Å; P596-N598 PolarHBondContact O-N 2.92Å; P596-N598 VanDerWaalsContact O-N 3.12Å; P596-V599 PolarHBondContact O-N 2.86Å; P596-V599 VanDerWaalsContact O-N 3.14Å; P596-I661 HydrophobicContact CG-CD1 4.43Å; P596-I661 HydrophobicContact CG-CG1 3.95Å; P596-V759 HydrophobicContact CG-CG1 3.79Å
597	S	81.3	Confident	86.4	Confident	42 Å²	42	32 Å²	32	29%	0.294	18%	0.177	S	C	.	.	G	3₁₀ helix	trans	-66.8	-10.5	176.4	69.9	0	0	0	0	114.3	E554 K595 L600	E554-S597 WeakPolarHBondContact OE2-CA 3.31Å; K595-S597 VanDerWaalsContact C-N 3.31Å; K595-S597 WeakPolarHBondContact CD-OG 3.37Å; K595-S597 WeakPolarHBondContact CE-OG 3.44Å; K595-S597 PolarHBondContact O-N 3.22Å; S597-L600 VanDerWaalsContact O-CD1 3.25Å; S597-L600 WeakPolarHBondContact O-CD1 3.24Å
598	N	90.1	Very high	86.6	Confident	8 Å²	8	32.2 Å²	32.2	4%	0.043	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-109.6	11	-178.9	-67.2	10.2	0	0	0	111.2	D593 K595 P596 I613 C614	D593-N598 PolarHBondContact O-ND2 3.13Å; D593-N598 PolarHBondContact OD2-ND2 3.12Å; K595-N598 WeakPolarHBondContact CE-ND2 3.35Å; K595-N598 VanDerWaalsContact CE-OD1 3.32Å; K595-N598 WeakPolarHBondContact CE-OD1 3.37Å; K595-N598 HydrophobicContact CG-CB 4.07Å; K595-N598 WeakPolarHBondContact O-CA 3.2Å; K595-N598 WeakPolarHBondContact O-CB 3.35Å; K595-N598 PolarHBondContact O-N 3.16Å; P596-N598 PolarHBondContact O-N 2.92Å; P596-N598 VanDerWaalsContact O-N 3.12Å; N598-I613 WeakPolarHBondContact O-CA 3.35Å; N598-C614 WeakPolarHBondContact CB-O 3.47Å; N598-C614 PolarHBondContact O-N 3.23Å
599	V	92.5	Very high	87.1	Confident	1 Å²	1	33.6 Å²	33.6	1%	0.006	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	107.5	174.1	-174.6	0	0	0	0	108.7	L555 I577 L594 P596 L611 R612	L555-V599 HydrophobicContact CB-CB 4.28Å; L555-V599 HydrophobicContact CB-CG1 4.15Å; L555-V599 VanDerWaalsContact CB-O 3.28Å; L555-V599 WeakPolarHBondContact CB-O 3.46Å; L555-V599 HydrophobicContact CD2-CB 4.32Å; L555-V599 HydrophobicContact CD2-CG1 3.89Å; L555-V599 PolarHBondContact N-O 3.47Å; I577-V599 HydrophobicContact CD1-CG1 4.09Å; I577-V599 HydrophobicContact CG1-CG1 4.35Å; L594-V599 HydrophobicContact CD1-CG2 3.86Å; P596-V599 PolarHBondContact O-N 2.86Å; P596-V599 VanDerWaalsContact O-N 3.14Å; V599-L611 HydrophobicContact CG1-CD2 4.31Å; V599-R612 WeakPolarHBondContact CA-O 3.25Å
600	L	93.4	Very high	87.4	Confident	31 Å²	31	33.9 Å²	33.9	16%	0.162	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	154.2	-171.4	-83.8	66.2	0	0	0	111.3	L550 G553 E554 S597 L611 R612	L550-L600 HydrophobicContact CB-CB 4.06Å; L550-L600 HydrophobicContact CB-CD2 3.96Å; L550-L600 HydrophobicContact CD1-CB 3.74Å; L550-L600 HydrophobicContact CD1-CD2 4.09Å; G553-L600 CarbonylContact O-C 3Å; G553-L600 VanDerWaalsContact O-CA 3.25Å; G553-L600 WeakPolarHBondContact O-CA 3.3Å; G553-L600 WeakPolarHBondContact O-CB 3.39Å; E554-L600 HydrophobicContact CG-CD1 4.1Å; E554-L600 HydrophobicContact CG-CG 4.41Å; S597-L600 VanDerWaalsContact O-CD1 3.25Å; S597-L600 WeakPolarHBondContact O-CD1 3.24Å; L600-L611 CarbonylContact O-C 3.38Å; L600-L611 WeakPolarHBondContact O-CA 3.49Å; L600-R612 PolarHBondContact N-O 2.88Å; L600-R612 PolarHBondContact O-N 3.06Å
601	Y	93.1	Very high	87.8	Confident	9 Å²	9	34 Å²	34	4%	0.035	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	132.9	168	-70.9	-88.6	0	0	0	110.3	L550 G552 G553 L555 K558 D603 G606 S610 L611	L550-Y601 CarbonylContact C-O 3.5Å; G552-Y601 WeakPolarHBondContact CA-O 3.3Å; G552-Y601 PolarHBondContact N-O 3.05Å; G553-Y601 PolarHBondContact O-N 3.34Å; L555-Y601 HydrophobicContact CD1-CE2 3.78Å; K558-Y601 HydrophobicContact CB-CD2 4.22Å; K558-Y601 HydrophobicContact CB-CE2 3.95Å; K558-Y601 HydrophobicContact CD-CD2 3.67Å; K558-Y601 HydrophobicContact CD-CE1 4.48Å; K558-Y601 HydrophobicContact CD-CE2 3.55Å; K558-Y601 HydrophobicContact CD-CG 4.2Å; K558-Y601 HydrophobicContact CG-CE2 4.25Å; Y601-D603 VanDerWaalsContact C-N 3.28Å; Y601-D603 PolarHBondContact O-N 3.22Å; Y601-G606 WeakPolarHBondContact CE1-O 3.3Å; Y601-S610 WeakPolarHBondContact CD1-OG 3.11Å; Y601-L611 HydrophobicContact CD1-CD2 3.68Å; Y601-L611 HydrophobicContact CD1-CG 4.11Å; Y601-L611 HydrophobicContact CD2-CD2 3.95Å; Y601-L611 HydrophobicContact CE1-CD2 3.57Å; Y601-L611 HydrophobicContact CE1-CG 3.88Å; Y601-L611 HydrophobicContact CE2-CD2 3.84Å; Y601-L611 HydrophobicContact CG-CD2 3.88Å
602	A	91.8	Very high	88.1	Confident	15 Å²	15	36 Å²	36	12%	0.124	20%	0.202	C	C	.	.	S	Bend	trans	-65.1	-32.6	178.2	0	0	0	0	0	112.6	L550 K551 S610 R612	L550-A602 HydrophobicContact CD2-CB 3.97Å; K551-A602 PolarHBondContact N-O 3.17Å; A602-S610 VanDerWaalsContact CB-O 3.28Å; A602-S610 WeakPolarHBondContact CB-O 3.47Å; A602-S610 PolarHBondContact N-O 3.3Å; A602-R612 HydrophobicContact CB-CG 4.24Å
603	D	90.5	Very high	88.8	Confident	67 Å²	67	32 Å²	32	36%	0.358	19%	0.187	S	C	.	.	S	Bend	trans	-141.9	174.2	-177.2	66.3	67.2	0	0	0	113.1	G552 Y601 S605 S610	G552-D603 WeakPolarHBondContact CA-O 3.23Å; Y601-D603 VanDerWaalsContact C-N 3.28Å; Y601-D603 PolarHBondContact O-N 3.22Å; D603-S605 VanDerWaalsContact C-N 3.26Å; D603-S605 PolarHBondContact O-N 2.59Å; D603-S605 WeakPolarHBondContact OD1-CB 3.35Å; D603-S605 PolarHBondContact OD1-N 3.3Å; D603-S605 PolarHBondContact OD1-OG 3.18Å; D603-S610 WeakPolarHBondContact OD2-CB 3.36Å
604	D	86.8	Confident	89.1	Confident	88 Å²	88	32.5 Å²	32.5	47%	0.471	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-12	-173.7	-58.6	-53.9	0	0	0	114.2	K551 K558 G606	K551-D604 WeakPolarHBondContact CD-OD2 3.39Å; K551-D604 WeakPolarHBondContact CE-OD2 3.49Å; K551-D604 IonicContact NZ-OD2 3.45Å; K551-D604 PolarHBondContact NZ-OD2 3.01Å; K558-D604 PolarHBondContact NZ-O 3.26Å; D604-G606 VanDerWaalsContact C-N 3.25Å; D604-G606 PolarHBondContact O-N 2.94Å
605	S	86.3	Confident	89.1	Confident	82 Å²	82	34.4 Å²	34.4	57%	0.573	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-36.2	-172.3	66.3	0	0	0	0	113.1	D603 D607	D603-S605 VanDerWaalsContact C-N 3.26Å; D603-S605 PolarHBondContact O-N 2.59Å; D603-S605 WeakPolarHBondContact OD1-CB 3.35Å; D603-S605 PolarHBondContact OD1-N 3.3Å; D603-S605 PolarHBondContact OD1-OG 3.18Å; S605-D607 PolarHBondContact OG-N 3.44Å; S605-D607 VanDerWaalsContact OG-N 3.1Å
606	G	79.4	Confident	89.5	Confident	19 Å²	19	32.2 Å²	32.2	20%	0.196	19%	0.192	C	C	.	.			trans	80.1	3.1	-171.7	0	0	0	0	0	113.6	Y601 D604 I608	Y601-G606 WeakPolarHBondContact CE1-O 3.3Å; D604-G606 VanDerWaalsContact C-N 3.25Å; D604-G606 PolarHBondContact O-N 2.94Å; G606-I608 PolarHBondContact O-N 2.77Å
607	D	86	Confident	89.5	Confident	82 Å²	82	32.6 Å²	32.6	44%	0.439	20%	0.197	S	C	.	.			trans	-61.4	134.2	172.8	-179.4	31.6	0	0	0	110.2	S605 S609 S610	S605-D607 PolarHBondContact OG-N 3.44Å; S605-D607 VanDerWaalsContact OG-N 3.1Å; D607-S609 PolarHBondContact O-N 3.28Å; D607-S609 VanDerWaalsContact OD2-CB 3.23Å; D607-S609 WeakPolarHBondContact OD2-CB 3.48Å; D607-S609 PolarHBondContact OD2-OG 3.46Å; D607-S610 WeakPolarHBondContact O-CB 3.24Å; D607-S610 PolarHBondContact O-N 2.91Å; D607-S610 PolarHBondContact O-OG 2.83Å
608	I	87.4	Confident	89.4	Confident	40 Å²	40	34.8 Å²	34.8	21%	0.205	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-64.6	-25.5	-176.1	-67	138.5	0	0	0	110.8	N572 I573 V576 G606 S610 L611	N572-I608 HydrophobicContact CB-CD1 3.8Å; N572-I608 HydrophobicContact CB-CG1 4.47Å; N572-I608 HydrophobicContact CB-CG2 4.31Å; I573-I608 HydrophobicContact CG1-CG1 4.33Å; V576-I608 HydrophobicContact CB-CG2 4.38Å; V576-I608 HydrophobicContact CG2-CG2 3.55Å; G606-I608 PolarHBondContact O-N 2.77Å; I608-S610 VanDerWaalsContact C-N 3.26Å; I608-S610 PolarHBondContact O-N 3Å; I608-L611 HydrophobicContact CG2-CD1 4.25Å; I608-L611 WeakPolarHBondContact O-CB 3.18Å; I608-L611 WeakPolarHBondContact O-CG 3.09Å; I608-L611 PolarHBondContact O-N 2.81Å
609	S	88.6	Confident	89.1	Confident	75 Å²	75	34.6 Å²	34.6	52%	0.524	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-67.2	-24.6	173.2	85.5	0	0	0	0	113.6	N529 D607 L611 R612	N529-S609 PolarHBondContact ND2-O 3.41Å; D607-S609 PolarHBondContact O-N 3.28Å; D607-S609 VanDerWaalsContact OD2-CB 3.23Å; D607-S609 WeakPolarHBondContact OD2-CB 3.48Å; D607-S609 PolarHBondContact OD2-OG 3.46Å; S609-L611 VanDerWaalsContact C-N 3.26Å; S609-L611 PolarHBondContact O-N 3.4Å; S609-R612 PolarHBondContact O-NH1 3.35Å
610	S	92.7	Very high	88.3	Confident	5 Å²	5	38.5 Å²	38.5	4%	0.035	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-79.8	-2.6	179	76.4	0	0	0	0	113.6	Y601 A602 D603 D607 I608 R612	Y601-S610 WeakPolarHBondContact CD1-OG 3.11Å; A602-S610 VanDerWaalsContact CB-O 3.28Å; A602-S610 WeakPolarHBondContact CB-O 3.47Å; A602-S610 PolarHBondContact N-O 3.3Å; D603-S610 WeakPolarHBondContact OD2-CB 3.36Å; D607-S610 WeakPolarHBondContact O-CB 3.24Å; D607-S610 PolarHBondContact O-N 2.91Å; D607-S610 PolarHBondContact O-OG 2.83Å; I608-S610 VanDerWaalsContact C-N 3.26Å; I608-S610 PolarHBondContact O-N 3Å; S610-R612 VanDerWaalsContact C-NH1 3.31Å; S610-R612 PolarHBondContact O-NH1 2.85Å
611	L	94.5	Very high	87.6	Confident	3 Å²	3	37.5 Å²	37.5	2%	0.016	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	143.9	175.5	-72.7	173.1	0	0	0	112.2	N529 L555 I573 V576 V599 L600 Y601 I608 S609	N529-L611 WeakPolarHBondContact CA-O 3.13Å; N529-L611 PolarHBondContact ND2-O 2.95Å; L555-L611 HydrophobicContact CD1-CD2 4.07Å; I573-L611 HydrophobicContact CG1-CD1 4.39Å; I573-L611 HydrophobicContact CG2-CD1 4.17Å; V576-L611 HydrophobicContact CG1-CB 4.21Å; V576-L611 HydrophobicContact CG1-CD1 4.41Å; V599-L611 HydrophobicContact CG1-CD2 4.31Å; L600-L611 CarbonylContact O-C 3.38Å; L600-L611 WeakPolarHBondContact O-CA 3.49Å; Y601-L611 HydrophobicContact CD1-CD2 3.68Å; Y601-L611 HydrophobicContact CD1-CG 4.11Å; Y601-L611 HydrophobicContact CD2-CD2 3.95Å; Y601-L611 HydrophobicContact CE1-CD2 3.57Å; Y601-L611 HydrophobicContact CE1-CG 3.88Å; Y601-L611 HydrophobicContact CE2-CD2 3.84Å; Y601-L611 HydrophobicContact CG-CD2 3.88Å; I608-L611 HydrophobicContact CG2-CD1 4.25Å; I608-L611 WeakPolarHBondContact O-CB 3.18Å; I608-L611 WeakPolarHBondContact O-CG 3.09Å; I608-L611 PolarHBondContact O-N 2.81Å; S609-L611 VanDerWaalsContact C-N 3.26Å; S609-L611 PolarHBondContact O-N 3.4Å
612	R	95.2	Very high	86.3	Confident	43 Å²	43	38.3 Å²	38.3	16%	0.162	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	135.2	175.9	-57.7	-69.3	-175	-87.9	1.3	110.2	P528 N529 E548 L550 V599 L600 A602 S609 S610	P528-R612 VanDerWaalsContact O-CD 3.31Å; P528-R612 WeakPolarHBondContact O-CD 3.39Å; P528-R612 PolarHBondContact O-NE 3.28Å; P528-R612 PolarHBondContact O-NH1 2.83Å; N529-R612 CarbonylContact O-C 3.52Å; N529-R612 WeakPolarHBondContact O-CA 3.47Å; E548-R612 IonicContact OE1-NE 2.76Å; E548-R612 IonicContact OE2-NE 2.72Å; L550-R612 HydrophobicContact CD1-CB 3.94Å; L550-R612 HydrophobicContact CD1-CG 4.4Å; L550-R612 HydrophobicContact CD2-CB 4.11Å; L550-R612 HydrophobicContact CD2-CG 3.63Å; V599-R612 WeakPolarHBondContact CA-O 3.25Å; L600-R612 PolarHBondContact N-O 2.88Å; L600-R612 PolarHBondContact O-N 3.06Å; A602-R612 HydrophobicContact CB-CG 4.24Å; S609-R612 PolarHBondContact O-NH1 3.35Å; S610-R612 VanDerWaalsContact C-NH1 3.31Å; S610-R612 PolarHBondContact O-NH1 2.85Å
613	I	95.5	Very high	84.7	Confident	3 Å²	3	44 Å²	44	2%	0.015	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	134.6	162.4	-55.6	-177	0	0	0	108.3	N529 V531 I577 T580 H591 L594 N598 F616	N529-I613 PolarHBondContact O-N 3.22Å; V531-I613 PolarHBondContact N-O 3.07Å; I577-I613 HydrophobicContact CG2-CD1 4.04Å; T580-I613 HydrophobicContact CG2-CD1 3.58Å; T580-I613 HydrophobicContact CG2-CG1 4.16Å; H591-I613 WeakPolarHBondContact NE2-CG2 3.39Å; L594-I613 HydrophobicContact CD1-CD1 4.21Å; L594-I613 HydrophobicContact CD1-CG2 4.09Å; N598-I613 WeakPolarHBondContact O-CA 3.35Å; I613-F616 HydrophobicContact CB-CE2 4.5Å; I613-F616 HydrophobicContact CG2-CE2 4.13Å; I613-F616 HydrophobicContact CG2-CZ 4.38Å
614	C	91.5	Very high	82.4	Confident	18 Å²	18	42.2 Å²	42.2	12%	0.122	23%	0.23	C	C	.	.			trans	-134.4	175.6	179.5	71.8	0	0	0	0	112.4	V531 L550 H591 N598	V531-C614 HydrophobicContact CB-CB 3.94Å; V531-C614 HydrophobicContact CG1-CB 3.78Å; V531-C614 HydrophobicContact CG2-CB 4.48Å; L550-C614 HydrophobicContact CD1-CB 4.38Å; H591-C614 PolarHBondContact CE1-O 2.92Å; H591-C614 PolarHBondContact NE2-O 2.85Å; N598-C614 WeakPolarHBondContact CB-O 3.47Å; N598-C614 PolarHBondContact O-N 3.23Å
615	D	88.8	Confident	80	Confident	40 Å²	40	43.5 Å²	43.5	21%	0.214	23%	0.233	C	C	.	.			trans	56.7	67.7	-172.4	-159.8	-7.8	0	0	0	115	K505 H591 G617	K505-D615 VanDerWaalsContact NZ-CG 3.26Å; K505-D615 IonicContact NZ-OD1 2.97Å; K505-D615 PolarHBondContact NZ-OD1 3.49Å; K505-D615 IonicContact NZ-OD2 2.81Å; H591-D615 PolarHBondContact CE1-O 2.78Å; H591-D615 PolarHBondContact NE2-O 3.05Å; D615-G617 PolarHBondContact O-N 3.28Å; D615-G617 PolarHBondContact OD1-N 3.03Å; D615-G617 VanDerWaalsContact OD1-N 3.1Å
616	F	90.5	Very high	77.5	Confident	1 Å²	1	44.6 Å²	44.6	0%	0.004	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-73.9	17.9	170.6	-78	-106.1	0	0	0	113.1	E517 I520 L521 I530 L584 H591 I613 F618 A619	E517-F616 HydrophobicContact CG-CB 4.36Å; I520-F616 HydrophobicContact CG2-CD1 3.63Å; I520-F616 HydrophobicContact CG2-CE1 4.12Å; I520-F616 HydrophobicContact CG2-CG 4.46Å; L521-F616 HydrophobicContact CD1-CB 4.22Å; L521-F616 HydrophobicContact CD2-CB 4.19Å; L521-F616 HydrophobicContact CD2-CD2 3.53Å; L521-F616 HydrophobicContact CD2-CE2 4.04Å; L521-F616 HydrophobicContact CD2-CG 3.86Å; L521-F616 HydrophobicContact CG-CB 4.04Å; L521-F616 HydrophobicContact CG-CD2 4.32Å; L521-F616 HydrophobicContact CG-CG 4.2Å; I530-F616 HydrophobicContact CD1-CZ 4.17Å; I530-F616 HydrophobicContact CG1-CZ 4.11Å; I530-F616 HydrophobicContact CG2-CE2 3.8Å; I530-F616 HydrophobicContact CG2-CZ 3.84Å; L584-F616 HydrophobicContact CD1-CE1 3.8Å; L584-F616 HydrophobicContact CD1-CZ 3.87Å; L584-F616 HydrophobicContact CD2-CE1 3.79Å; L584-F616 HydrophobicContact CD2-CZ 4.27Å; L584-F616 HydrophobicContact CG-CE1 4.47Å; H591-F616 AromaticContact CD2-CD1 3.92Å; H591-F616 AromaticContact CD2-CE1 3.78Å; H591-F616 AromaticContact CD2-CE2 3.92Å; H591-F616 AromaticContact CD2-CZ 3.79Å; H591-F616 AromaticContact NE2-CD2 3.82Å; H591-F616 AromaticContact NE2-CE2 3.91Å; I613-F616 HydrophobicContact CB-CE2 4.5Å; I613-F616 HydrophobicContact CG2-CE2 4.13Å; I613-F616 HydrophobicContact CG2-CZ 4.38Å; F616-F618 VanDerWaalsContact C-N 3.27Å; F616-F618 PolarHBondContact O-N 2.98Å; F616-A619 HydrophobicContact CB-CB 3.89Å; F616-A619 HydrophobicContact CD1-CB 3.67Å; F616-A619 HydrophobicContact CG-CB 4.22Å; F616-A619 WeakPolarHBondContact O-CB 3.36Å; F616-A619 PolarHBondContact O-N 3.21Å
617	G	84.1	Confident	75.3	Confident	13 Å²	13	45.1 Å²	45.1	13%	0.134	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-65	-28.9	-175.5	0	0	0	0	0	115	R512 E517 D615	R512-G617 PolarHBondContact NE-O 2.72Å; R512-G617 PolarHBondContact NH2-O 3.09Å; E517-G617 VanDerWaalsContact OE2-CA 3.25Å; E517-G617 WeakPolarHBondContact OE2-CA 3.41Å; D615-G617 PolarHBondContact O-N 3.28Å; D615-G617 PolarHBondContact OD1-N 3.03Å; D615-G617 VanDerWaalsContact OD1-N 3.1Å
618	F	79.3	Confident	72.6	Confident	88 Å²	88	46.6 Å²	46.6	39%	0.386	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-98.7	2.5	172	-64.1	-80.8	0	0	0	112.2	F487 H591 R592 D593 F616	F487-F618 HydrophobicContact CE1-CE2 4.46Å; F487-F618 AromaticContact CE1-CZ 3.94Å; F487-F618 HydrophobicContact CE1-CZ 3.94Å; F487-F618 HydrophobicContact CZ-CE2 4.1Å; F487-F618 HydrophobicContact CZ-CZ 4.03Å; H591-F618 CarbonylContact O-C 3.28Å; R592-F618 HydrophobicContact CB-CB 4.5Å; R592-F618 PolarHBondContact NE-O 2.9Å; R592-F618 PolarHBondContact NH2-O 3.44Å; D593-F618 HydrophobicContact CB-CB 3.82Å; D593-F618 HydrophobicContact CB-CD2 3.59Å; D593-F618 HydrophobicContact CB-CG 4.03Å; D593-F618 WeakPolarHBondContact OD2-CD2 3.5Å; F616-F618 VanDerWaalsContact C-N 3.27Å; F616-F618 PolarHBondContact O-N 2.98Å
619	A	84	Confident	70	Confident	4 Å²	4	47.8 Å²	47.8	3%	0.033	25%	0.252	C	S	.	.			trans	-62.6	153.6	178.1	0	0	0	0	0	111.1	I520 V589 V590 H591 F616	I520-A619 HydrophobicContact CD1-CB 3.86Å; V589-A619 HydrophobicContact CG1-CB 4.43Å; V590-A619 CarbonylContact O-C 3.52Å; V590-A619 WeakPolarHBondContact O-CA 3.43Å; H591-A619 WeakPolarHBondContact O-CA 3.14Å; H591-A619 PolarHBondContact O-N 2.98Å; F616-A619 HydrophobicContact CB-CB 3.89Å; F616-A619 HydrophobicContact CD1-CB 3.67Å; F616-A619 HydrophobicContact CG-CB 4.22Å; F616-A619 WeakPolarHBondContact O-CB 3.36Å; F616-A619 PolarHBondContact O-N 3.21Å
620	K	75.7	Confident	67.8	Low	82 Å²	82	48.1 Å²	48.1	36%	0.357	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	128.9	-179.8	-166.1	78.5	-166.7	159.9	0	109	E516 V589 V590	E516-K620 WeakPolarHBondContact OE1-CD 3.45Å; E516-K620 IonicContact OE1-NZ 3.56Å; E516-K620 IonicContact OE2-NZ 3.65Å; E516-K620 PolarHBondContact OE2-NZ 3.03Å; V589-K620 WeakPolarHBondContact CA-O 3.23Å; V590-K620 PolarHBondContact N-O 3.29Å; V590-K620 PolarHBondContact O-N 2.87Å
621	Q	78	Confident	64.8	Low	10 Å²	10	52.6 Å²	52.6	5%	0.047	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	112.4	165	-177.1	73.7	78.2	0	0	107.4	E516 I520 N587 M588 R623 L629	E516-Q621 PolarHBondContact OE1-N 2.87Å; I520-Q621 HydrophobicContact CD1-CB 4.36Å; I520-Q621 HydrophobicContact CG1-CB 4.44Å; N587-Q621 PolarHBondContact O-NE2 3.3Å; M588-Q621 VanDerWaalsContact C-NE2 3.35Å; M588-Q621 PolarHBondContact O-NE2 2.91Å; M588-Q621 VanDerWaalsContact O-NE2 3.11Å; Q621-R623 PolarHBondContact O-N 3.29Å; Q621-L629 HydrophobicContact CG-CD2 3.6Å
622	L	66.8	Low	61.6	Low	27 Å²	27	56.7 Å²	56.7	14%	0.141	30%	0.3	C	S	.	.			trans	-67.2	131.7	173.9	-56.4	160.6	0	0	0	108.2	M588 V590 Q647	M588-L622 HydrophobicContact CB-CB 4.2Å; M588-L622 HydrophobicContact CE-CB 4.22Å; M588-L622 HydrophobicContact CE-CD1 4.09Å; M588-L622 WeakPolarHBondContact O-CB 3.47Å; M588-L622 WeakPolarHBondContact O-CG 3.25Å; M588-L622 PolarHBondContact O-N 3.01Å; V590-L622 HydrophobicContact CG2-CD1 3.78Å; V590-L622 HydrophobicContact CG2-CG 4.31Å; L622-Q647 HydrophobicContact CD1-CB 4.28Å; L622-Q647 HydrophobicContact CD1-CG 3.98Å; L622-Q647 HydrophobicContact CD2-CG 4.43Å
623	R	57.2	Low	58.4	Low	133 Å²	133	59 Å²	59	50%	0.502	32%	0.321	S	S	.	.	B	Isolated β-bridge	trans	-111.1	161.5	-179.3	-61.9	-172.9	-175.6	-166.1	3.6	110.6	Q621 G627	Q621-R623 PolarHBondContact O-N 3.29Å; R623-G627 WeakPolarHBondContact CD-O 3.38Å; R623-G627 PolarHBondContact NH1-O 3.34Å
624	A	42.7	Very low	55.2	Low	31 Å²	31	69.5 Å²	69.5	26%	0.256	36%	0.363	S	S	.	.			trans	-77.9	164.9	162.8	0	0	0	0	0	110.7	N626 G627 L628 M630	A624-N626 PolarHBondContact O-N 2.85Å; A624-N626 VanDerWaalsContact O-N 3.11Å; A624-G627 PolarHBondContact O-N 2.96Å; A624-L628 PolarHBondContact N-O 3.11Å; A624-M630 HydrophobicContact CB-CG 3.47Å; A624-M630 VanDerWaalsContact CB-CG 3.47Å; A624-M630 HydrophobicContact CB-SD 3.57Å; A624-M630 VanDerWaalsContact CB-SD 3.57Å
625	E	36.1	Very low	52.3	Low	114 Å²	114	72.7 Å²	72.7	53%	0.533	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.1	-29.9	-177.9	-82.9	-171.7	142.8	0	0	116	T156 G627	T156-E625 HydrophobicContact CG2-CB 3.46Å; T156-E625 VanDerWaalsContact CG2-CB 3.46Å; T156-E625 HydrophobicContact CG2-CG 3.73Å; E625-G627 VanDerWaalsContact C-N 3.27Å; E625-G627 PolarHBondContact O-N 3.39Å
626	N	33.5	Very low	49.6	Very low	106 Å²	106	74.3 Å²	74.3	57%	0.567	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.2	11.8	178.7	60.2	13.1	0	0	0	114.1	A624 L628	A624-N626 PolarHBondContact O-N 2.85Å; A624-N626 VanDerWaalsContact O-N 3.11Å; N626-L628 PolarHBondContact O-N 3.33Å; N626-L628 VanDerWaalsContact O-N 3.1Å; N626-L628 WeakPolarHBondContact OD1-CB 3.33Å; N626-L628 PolarHBondContact OD1-N 3.04Å
627	G	34.4	Very low	46.6	Very low	30 Å²	30	80.9 Å²	80.9	31%	0.309	44%	0.436	S	S	.	.	S	Bend	trans	72.2	-2	179.6	0	0	0	0	0	115.4	R623 A624 E625	R623-G627 WeakPolarHBondContact CD-O 3.38Å; R623-G627 PolarHBondContact NH1-O 3.34Å; A624-G627 PolarHBondContact O-N 2.96Å; E625-G627 VanDerWaalsContact C-N 3.27Å; E625-G627 PolarHBondContact O-N 3.39Å
628	L	27.9	Very low	44.3	Very low	112 Å²	112	89.1 Å²	89.1	59%	0.586	47%	0.468	S	S	*	.			trans	-73	149.6	173.7	-68.3	171.5	0	0	0	111.2	A624 N626 M630	A624-L628 PolarHBondContact N-O 3.11Å; N626-L628 PolarHBondContact O-N 3.33Å; N626-L628 VanDerWaalsContact O-N 3.1Å; N626-L628 WeakPolarHBondContact OD1-CB 3.33Å; N626-L628 PolarHBondContact OD1-N 3.04Å; L628-M630 PolarHBondContact O-N 3.23Å
629	L	33.7	Very low	42.2	Very low	65 Å²	65	87.2 Å²	87.2	34%	0.34	46%	0.464	S	S	.	.	B	Isolated β-bridge	trans	-64.8	121.5	165.5	-73.5	161.9	0	0	0	108.7	E519 Q621 T631	E519-L629 WeakPolarHBondContact OE1-CD1 3.46Å; Q621-L629 HydrophobicContact CG-CD2 3.6Å; L629-T631 VanDerWaalsContact C-N 3.25Å; L629-T631 PolarHBondContact O-N 2.72Å
630	M	42.1	Very low	39.7	Very low	82 Å²	82	88.3 Å²	88.3	40%	0.404	47%	0.473	S	S	.	.			trans	-73.3	85.7	167.4	-75.1	-66.1	-79.1	0	0	108.9	A624 L628	A624-M630 HydrophobicContact CB-CG 3.47Å; A624-M630 VanDerWaalsContact CB-CG 3.47Å; A624-M630 HydrophobicContact CB-SD 3.57Å; A624-M630 VanDerWaalsContact CB-SD 3.57Å; L628-M630 PolarHBondContact O-N 3.23Å
631	T	29.5	Very low	37.6	Very low	99 Å²	99	88.4 Å²	88.4	61%	0.607	48%	0.482	S	S	*	.			trans	-49.7	136.5	163.8	-49.6	0	0	0	0	108.4	L629 C633	L629-T631 VanDerWaalsContact C-N 3.25Å; L629-T631 PolarHBondContact O-N 2.72Å; T631-C633 PolarHBondContact O-N 2.99Å
632	P	27.3	Very low	35.7	Very low	90 Å²	90	90.9 Å²	90.9	58%	0.584	49%	0.493	S	S	*	.	S	Bend	trans	-76.5	53.1	-169.3	31.4	-37.5	0	0	0	113.9
633	C	27.3	Very low	34.2	Very low	90 Å²	90	91.4 Å²	91.4	61%	0.608	50%	0.498	S	S	*	.			trans	-147.9	92.8	173.4	-46.6	0	0	0	0	107.5	T631	T631-C633 PolarHBondContact O-N 2.99Å
634	Y	27.9	Very low	33.6	Very low	225 Å²	225	89.3 Å²	89.3	88%	0.882	50%	0.496	S	S	*	.	S	Bend	trans	171	155	149.4	-92.3	-62.5	0	0	0	110.8
635	T	30.8	Very low	33.6	Very low	85 Å²	85	95.2 Å²	95.2	52%	0.521	52%	0.516	S	S	.	.			trans	-71	134.9	-155.4	-47.8	0	0	0	0	115.5	N637	T635-N637 HydrophobicContact CG2-CB 4.17Å; T635-N637 PolarHBondContact O-N 3.21Å
636	A	32.1	Very low	34.2	Very low	74 Å²	74	93.8 Å²	93.8	61%	0.612	51%	0.51	S	S	*	.	G	3₁₀ helix	trans	-62	-4.4	-179.2	0	0	0	0	0	116.6	F638	A636-F638 PolarHBondContact O-N 3.36Å
637	N	27.4	Very low	35	Very low	139 Å²	139	90.5 Å²	90.5	74%	0.743	49%	0.491	S	S	*	.	G	3₁₀ helix	trans	-75	-3.8	-173.3	-64.1	-4.5	0	0	0	114.4	T635	T635-N637 HydrophobicContact CG2-CB 4.17Å; T635-N637 PolarHBondContact O-N 3.21Å
638	F	37	Very low	36	Very low	185 Å²	185	90.8 Å²	90.8	81%	0.811	49%	0.494	S	S	*	.	G	3₁₀ helix	trans	-119.5	5.5	-175.9	-58.4	-78.9	0	0	0	113.7	A636	A636-F638 PolarHBondContact O-N 3.36Å
639	V	34.4	Very low	37.5	Very low	49 Å²	49	89.8 Å²	89.8	30%	0.297	48%	0.483	S	S	.	.	S	Bend	trans	-88.2	126.3	-179.8	-173.5	0	0	0	0	109.6	V643 L644	V639-V643 HydrophobicContact CG1-CB 3.95Å; V639-V643 HydrophobicContact CG1-CG1 3.63Å; V639-L644 HydrophobicContact CB-CD2 4.15Å; V639-L644 HydrophobicContact CB-CG 4.26Å; V639-L644 HydrophobicContact CG1-CD2 3.78Å; V639-L644 HydrophobicContact CG1-CG 3.86Å
640	A	32.3	Very low	39.1	Very low	26 Å²	26	89 Å²	89	22%	0.215	48%	0.478	C	S	.	.			trans	-62.1	142.7	-177.9	0	0	0	0	0	112.5	E642 V643 L644	A640-E642 VanDerWaalsContact C-N 3.26Å; A640-E642 VanDerWaalsContact CB-OE1 3.24Å; A640-E642 WeakPolarHBondContact CB-OE1 3.33Å; A640-E642 PolarHBondContact O-N 3.36Å; A640-V643 HydrophobicContact CB-CB 4.49Å; A640-V643 HydrophobicContact CB-CG2 4.16Å; A640-V643 WeakPolarHBondContact O-CB 3.47Å; A640-V643 PolarHBondContact O-N 3.07Å; A640-L644 PolarHBondContact O-N 2.96Å
641	P	31.5	Very low	40.8	Very low	84 Å²	84	86.1 Å²	86.1	55%	0.545	47%	0.467	S	S	.	.	H	α-helix	trans	-59.6	-30.8	-173.7	-25.9	35.3	0	0	0	114.9	K645	P641-K645 VanDerWaalsContact O-CG 3.31Å; P641-K645 WeakPolarHBondContact O-CG 3.44Å; P641-K645 PolarHBondContact O-N 3.13Å
642	E	37.4	Very low	43.3	Very low	62 Å²	62	81.7 Å²	81.7	29%	0.29	44%	0.44	S	S	.	.	H	α-helix	trans	-74	-34.7	176.2	62.6	-78.3	-177.6	0	0	112.4	F282 A640 K645 M646	F282-E642 HydrophobicContact CB-CB 3.76Å; F282-E642 HydrophobicContact CB-CG 4Å; A640-E642 VanDerWaalsContact C-N 3.26Å; A640-E642 VanDerWaalsContact CB-OE1 3.24Å; A640-E642 WeakPolarHBondContact CB-OE1 3.33Å; A640-E642 PolarHBondContact O-N 3.36Å; E642-K645 PolarHBondContact O-N 2.76Å; E642-M646 PolarHBondContact O-N 3.03Å
643	V	35.5	Very low	45.9	Very low	39 Å²	39	79.3 Å²	79.3	24%	0.236	43%	0.425	C	S	.	.	H	α-helix	trans	-62.5	-47.4	169.6	173.6	0	0	0	0	108.7	V639 A640 K645 M646 Q647	V639-V643 HydrophobicContact CG1-CB 3.95Å; V639-V643 HydrophobicContact CG1-CG1 3.63Å; A640-V643 HydrophobicContact CB-CB 4.49Å; A640-V643 HydrophobicContact CB-CG2 4.16Å; A640-V643 WeakPolarHBondContact O-CB 3.47Å; A640-V643 PolarHBondContact O-N 3.07Å; V643-K645 VanDerWaalsContact C-N 3.32Å; V643-K645 PolarHBondContact O-N 3.49Å; V643-M646 PolarHBondContact O-N 3.5Å; V643-Q647 HydrophobicContact CG1-CG 4.23Å; V643-Q647 VanDerWaalsContact O-CB 3.3Å; V643-Q647 WeakPolarHBondContact O-CB 3.33Å; V643-Q647 WeakPolarHBondContact O-CG 3.17Å; V643-Q647 PolarHBondContact O-N 3.42Å
644	L	43.9	Very low	48.9	Very low	88 Å²	88	75 Å²	75	46%	0.461	40%	0.396	S	S	.	.	H	α-helix	trans	-59.8	-37.7	173.5	-64.7	174.5	0	0	0	112.7	V639 A640 G648	V639-L644 HydrophobicContact CB-CD2 4.15Å; V639-L644 HydrophobicContact CB-CG 4.26Å; V639-L644 HydrophobicContact CG1-CD2 3.78Å; V639-L644 HydrophobicContact CG1-CG 3.86Å; A640-L644 PolarHBondContact O-N 2.96Å; L644-G648 PolarHBondContact O-N 2.81Å
645	K	44.3	Very low	51.9	Low	156 Å²	156	64.3 Å²	64.3	68%	0.678	35%	0.354	S	S	*	.	H	α-helix	trans	-67.2	-44.6	175	-76.2	168.7	-177.1	171.1	0	112.8	P641 E642 V643 G648 Y649	P641-K645 VanDerWaalsContact O-CG 3.31Å; P641-K645 WeakPolarHBondContact O-CG 3.44Å; P641-K645 PolarHBondContact O-N 3.13Å; E642-K645 PolarHBondContact O-N 2.76Å; V643-K645 VanDerWaalsContact C-N 3.32Å; V643-K645 PolarHBondContact O-N 3.49Å; K645-G648 PolarHBondContact O-N 3.46Å; K645-Y649 WeakPolarHBondContact O-CB 3.39Å; K645-Y649 PolarHBondContact O-N 3.34Å
646	M	47	Very low	54.6	Low	83 Å²	83	60.8 Å²	60.8	41%	0.409	33%	0.331	S	S	.	.	H	α-helix	trans	-69.3	-39.6	177.9	-71.3	-166.3	106.9	0	0	111.5	M154 E642 V643 G648 Y649 H650	M154-M646 HydrophobicContact CE-SD 4.45Å; E642-M646 PolarHBondContact O-N 3.03Å; V643-M646 PolarHBondContact O-N 3.5Å; M646-G648 VanDerWaalsContact C-N 3.34Å; M646-Y649 PolarHBondContact O-N 3.19Å; M646-H650 PolarHBondContact O-N 3.42Å; M646-H650 PolarHBondContact O-ND1 3.49Å
647	Q	51.6	Low	57.3	Low	37 Å²	37	57.6 Å²	57.6	17%	0.173	31%	0.305	C	S	.	.	H	α-helix	trans	-59.8	-46.5	171.9	-69.2	173	-7.4	0	0	110.6	M588 L622 V643 Y649 H650 A651	M588-Q647 VanDerWaalsContact CE-CD 3.42Å; M588-Q647 HydrophobicContact CE-CG 4.25Å; L622-Q647 HydrophobicContact CD1-CB 4.28Å; L622-Q647 HydrophobicContact CD1-CG 3.98Å; L622-Q647 HydrophobicContact CD2-CG 4.43Å; V643-Q647 HydrophobicContact CG1-CG 4.23Å; V643-Q647 VanDerWaalsContact O-CB 3.3Å; V643-Q647 WeakPolarHBondContact O-CB 3.33Å; V643-Q647 WeakPolarHBondContact O-CG 3.17Å; V643-Q647 PolarHBondContact O-N 3.42Å; Q647-Y649 PolarHBondContact O-N 3.1Å; Q647-H650 PolarHBondContact O-N 3.2Å; Q647-A651 WeakPolarHBondContact O-CB 3.15Å; Q647-A651 PolarHBondContact O-N 2.96Å
648	G	54.8	Low	60.5	Low	36 Å²	36	51 Å²	51	37%	0.371	27%	0.269	S	S	.	.	H	α-helix	trans	-57.8	-44.2	173.5	0	0	0	0	0	113.1	L644 K645 M646 A652	L644-G648 PolarHBondContact O-N 2.81Å; K645-G648 PolarHBondContact O-N 3.46Å; M646-G648 VanDerWaalsContact C-N 3.34Å; G648-A652 WeakPolarHBondContact O-CB 3.45Å; G648-A652 PolarHBondContact O-N 3.39Å
649	Y	59.2	Low	63.1	Low	91 Å²	91	42.1 Å²	42.1	36%	0.357	23%	0.231	S	C	.	.	H	α-helix	trans	-60.6	-47.1	176.9	-173	-74.6	0	0	0	112	K645 M646 Q647 A652 C653 P718 I772	K645-Y649 WeakPolarHBondContact O-CB 3.39Å; K645-Y649 PolarHBondContact O-N 3.34Å; M646-Y649 PolarHBondContact O-N 3.19Å; Q647-Y649 PolarHBondContact O-N 3.1Å; Y649-A652 PolarHBondContact O-N 3.42Å; Y649-C653 PolarHBondContact O-N 3.33Å; Y649-P718 HydrophobicContact CD2-CB 3.86Å; Y649-P718 HydrophobicContact CD2-CG 3.81Å; Y649-P718 HydrophobicContact CE2-CB 4.18Å; Y649-P718 HydrophobicContact CE2-CG 3.6Å; Y649-P718 HydrophobicContact CG-CB 4.39Å; Y649-I772 HydrophobicContact CD1-CD1 3.69Å; Y649-I772 HydrophobicContact CD2-CD1 4.19Å; Y649-I772 HydrophobicContact CE1-CD1 3.36Å; Y649-I772 HydrophobicContact CE1-CG1 4.44Å; Y649-I772 HydrophobicContact CE2-CD1 3.85Å; Y649-I772 HydrophobicContact CG-CD1 4.12Å; Y649-I772 VanDerWaalsContact CZ-CD1 3.46Å
650	H	66.9	Low	65.5	Low	50 Å²	50	39.8 Å²	39.8	23%	0.231	22%	0.216	C	C	.	.	H	α-helix	trans	-65.5	-48.7	179.8	-71.4	98.3	0	0	0	111.2	V590 M646 Q647 A652 C653	V590-H650 HydrophobicContact CB-CB 4.42Å; V590-H650 HydrophobicContact CG1-CB 4.09Å; V590-H650 VanDerWaalsContact CG1-O 3.25Å; V590-H650 WeakPolarHBondContact CG1-O 3.44Å; V590-H650 HydrophobicContact CG2-CB 4.01Å; M646-H650 PolarHBondContact O-N 3.42Å; M646-H650 PolarHBondContact O-ND1 3.49Å; Q647-H650 PolarHBondContact O-N 3.2Å; H650-A652 VanDerWaalsContact C-N 3.27Å; H650-A652 PolarHBondContact O-N 2.8Å; H650-C653 WeakPolarHBondContact O-CB 3.02Å; H650-C653 PolarHBondContact O-N 3.5Å
651	A	79	Confident	68.2	Low	20 Å²	20	38.6 Å²	38.6	17%	0.165	21%	0.206	C	C	.	.	H	α-helix	trans	-60.2	-35.6	175.9	0	0	0	0	0	112.7	H585 Q647 C653 D654 V655	H585-A651 PolarHBondContact CE1-O 3.44Å; H585-A651 VanDerWaalsContact CE1-O 3.31Å; Q647-A651 WeakPolarHBondContact O-CB 3.15Å; Q647-A651 PolarHBondContact O-N 2.96Å; A651-C653 PolarHBondContact O-N 2.92Å; A651-D654 PolarHBondContact O-N 3.22Å; A651-V655 PolarHBondContact O-N 2.9Å
652	A	82.4	Confident	71	Confident	7 Å²	7	34.6 Å²	34.6	6%	0.058	18%	0.18	C	C	.	.	H	α-helix	trans	-65.3	-21.1	174.8	0	0	0	0	0	113.2	G648 Y649 H650 W656 P718 R721	G648-A652 WeakPolarHBondContact O-CB 3.45Å; G648-A652 PolarHBondContact O-N 3.39Å; Y649-A652 PolarHBondContact O-N 3.42Å; H650-A652 VanDerWaalsContact C-N 3.27Å; H650-A652 PolarHBondContact O-N 2.8Å; A652-W656 WeakPolarHBondContact O-CB 3.43Å; A652-W656 PolarHBondContact O-N 2.71Å; A652-P718 HydrophobicContact CB-CB 3.94Å; A652-R721 HydrophobicContact CB-CB 4.32Å; A652-R721 VanDerWaalsContact O-CD 3.23Å; A652-R721 WeakPolarHBondContact O-CD 3.4Å; A652-R721 PolarHBondContact O-NH1 3.42Å
653	C	81.4	Confident	73.3	Confident	39 Å²	39	31.7 Å²	31.7	26%	0.264	17%	0.167	S	C	.	.	H	α-helix	trans	-65.8	-48.2	172.4	-167.1	0	0	0	0	111	Y649 H650 A651 V655 W656 S657	Y649-C653 PolarHBondContact O-N 3.33Å; H650-C653 WeakPolarHBondContact O-CB 3.02Å; H650-C653 PolarHBondContact O-N 3.5Å; A651-C653 PolarHBondContact O-N 2.92Å; C653-V655 VanDerWaalsContact C-N 3.29Å; C653-V655 PolarHBondContact O-N 3.42Å; C653-W656 PolarHBondContact O-N 3.34Å; C653-S657 PolarHBondContact O-N 2.91Å; C653-S657 PolarHBondContact O-OG 2.85Å; C653-S657 VanDerWaalsContact O-OG 3.13Å
654	D	89.5	Confident	75.5	Confident	0 Å²	0	30 Å²	30	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-61.9	-37.5	177.3	-63.9	-18.6	0	0	0	111.8	L581 H585 V590 H591 R592 A651 S657 L658	L581-D654 HydrophobicContact CD1-CB 4Å; L581-D654 HydrophobicContact CD2-CB 3.8Å; H585-D654 IonicContact CD2-OD2 3.51Å; H585-D654 IonicContact CE1-OD2 2.73Å; H585-D654 IonicContact NE2-OD2 2.87Å; H585-D654 PolarHBondContact NE2-OD2 3.12Å; V590-D654 VanDerWaalsContact CG1-OD2 3.25Å; V590-D654 WeakPolarHBondContact CG1-OD2 3.36Å; H591-D654 PolarHBondContact N-OD1 3.21Å; H591-D654 PolarHBondContact N-OD2 2.89Å; R592-D654 WeakPolarHBondContact CA-OD1 3.39Å; R592-D654 PolarHBondContact N-OD1 3.14Å; A651-D654 PolarHBondContact O-N 3.22Å; D654-S657 WeakPolarHBondContact O-CB 3.25Å; D654-S657 PolarHBondContact O-N 2.88Å; D654-L658 PolarHBondContact O-N 2.91Å
655	V	91.8	Very high	77.5	Confident	1 Å²	1	26.3 Å²	26.3	1%	0.006	14%	0.137	C	C	.	.	H	α-helix	trans	-65.8	-43.6	175.8	171.1	0	0	0	0	112.1	A651 C653 S657 L658 G659 M713 R721 C722 A724 I727	A651-V655 PolarHBondContact O-N 2.9Å; C653-V655 VanDerWaalsContact C-N 3.29Å; C653-V655 PolarHBondContact O-N 3.42Å; V655-S657 VanDerWaalsContact C-N 3.31Å; V655-S657 PolarHBondContact O-N 3.25Å; V655-L658 PolarHBondContact O-N 3.05Å; V655-G659 PolarHBondContact O-N 3.45Å; V655-M713 HydrophobicContact CG1-CB 4.12Å; V655-M713 HydrophobicContact CG1-CG 4.01Å; V655-R721 HydrophobicContact CG1-CG 4.01Å; V655-C722 WeakPolarHBondContact CG1-O 3.25Å; V655-A724 HydrophobicContact CG2-CB 4.48Å; V655-I727 HydrophobicContact CG1-CD1 3.91Å; V655-I727 HydrophobicContact CG2-CD1 4.32Å
656	W	87.5	Confident	79.4	Confident	10 Å²	10	19.2 Å²	19.2	4%	0.038	11%	0.106	C	C	.	.	H	α-helix	trans	-60	-45.7	175.2	175.8	-79.7	0	0	0	110.8	A652 C653 L658 G659 V660 F672 I687 L714 N715 L766	A652-W656 WeakPolarHBondContact O-CB 3.43Å; A652-W656 PolarHBondContact O-N 2.71Å; C653-W656 PolarHBondContact O-N 3.34Å; W656-L658 PolarHBondContact O-N 2.81Å; W656-G659 WeakPolarHBondContact O-CA 3.44Å; W656-G659 PolarHBondContact O-N 2.97Å; W656-V660 PolarHBondContact O-N 2.81Å; W656-F672 HydrophobicContact CH2-CE2 4.07Å; W656-F672 AromaticContact CH2-CZ 3.81Å; W656-F672 HydrophobicContact CH2-CZ 3.81Å; W656-F672 HydrophobicContact CZ2-CD2 4.37Å; W656-F672 AromaticContact CZ2-CE2 3.4Å; W656-F672 HydrophobicContact CZ2-CE2 3.4Å; W656-F672 VanDerWaalsContact CZ2-CE2 3.4Å; W656-F672 AromaticContact CZ2-CZ 3.64Å; W656-F672 HydrophobicContact CZ2-CZ 3.64Å; W656-I687 HydrophobicContact CH2-CG2 3.84Å; W656-I687 HydrophobicContact CZ2-CG1 4.27Å; W656-I687 HydrophobicContact CZ2-CG2 3.71Å; W656-L714 HydrophobicContact CD2-CD2 3.86Å; W656-L714 HydrophobicContact CE3-CB 4.44Å; W656-L714 HydrophobicContact CE3-CD2 4.11Å; W656-L714 HydrophobicContact CG-CD2 4.22Å; W656-L714 HydrophobicContact CZ2-CD2 4.47Å; W656-L714 VanDerWaalsContact CZ3-C 3.4Å; W656-L714 HydrophobicContact CZ3-CB 4.31Å; W656-L714 WeakPolarHBondContact CZ3-O 3.42Å; W656-L714 WeakPolarHBondContact O-CD2 3.33Å; W656-N715 WeakPolarHBondContact CZ3-O 3.41Å; W656-L766 HydrophobicContact CZ2-CD2 4.12Å; W656-L766 VanDerWaalsContact NE1-CD1 3.29Å
657	S	88.9	Confident	80.9	Confident	7 Å²	7	15.9 Å²	15.9	5%	0.049	9%	0.09	C	C	.	.	H	α-helix	trans	-56.7	-46.5	175.4	-65.7	0	0	0	0	112.3	L594 C653 D654 V655 G659 V660 I661	L594-S657 VanDerWaalsContact O-CB 3.23Å; L594-S657 WeakPolarHBondContact O-CB 3.44Å; L594-S657 PolarHBondContact O-OG 3.33Å; C653-S657 PolarHBondContact O-N 2.91Å; C653-S657 PolarHBondContact O-OG 2.85Å; C653-S657 VanDerWaalsContact O-OG 3.13Å; D654-S657 WeakPolarHBondContact O-CB 3.25Å; D654-S657 PolarHBondContact O-N 2.88Å; V655-S657 VanDerWaalsContact C-N 3.31Å; V655-S657 PolarHBondContact O-N 3.25Å; S657-G659 VanDerWaalsContact C-N 3.25Å; S657-G659 PolarHBondContact O-N 2.78Å; S657-V660 PolarHBondContact O-N 2.67Å; S657-I661 WeakPolarHBondContact O-CG1 3.49Å; S657-I661 PolarHBondContact O-N 2.8Å
658	L	93.7	Very high	81.9	Confident	0 Å²	0	14.9 Å²	14.9	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-62.6	-32.6	173.6	-177.3	55.5	0	0	0	112.2	T574 I577 A578 L581 L594 D654 V655 W656 I661 M662 M713 I727	T574-L658 HydrophobicContact CG2-CD2 4.35Å; T574-L658 HydrophobicContact CG2-CG 4.44Å; I577-L658 HydrophobicContact CB-CD1 3.74Å; I577-L658 HydrophobicContact CB-CD2 4.24Å; I577-L658 HydrophobicContact CD1-CD1 3.82Å; I577-L658 HydrophobicContact CG1-CD1 4.39Å; I577-L658 HydrophobicContact CG2-CD1 3.68Å; I577-L658 HydrophobicContact CG2-CD2 4.12Å; I577-L658 HydrophobicContact CG2-CG 4.4Å; A578-L658 HydrophobicContact CB-CD2 3.92Å; L581-L658 HydrophobicContact CD1-CB 4.31Å; L581-L658 HydrophobicContact CD1-CD2 4.07Å; L594-L658 HydrophobicContact CD2-CB 4.16Å; D654-L658 PolarHBondContact O-N 2.91Å; V655-L658 PolarHBondContact O-N 3.05Å; W656-L658 PolarHBondContact O-N 2.81Å; L658-I661 HydrophobicContact CD1-CB 4.49Å; L658-I661 PolarHBondContact O-N 2.97Å; L658-M662 WeakPolarHBondContact O-CB 3.23Å; L658-M662 PolarHBondContact O-N 3.47Å; L658-M713 HydrophobicContact CB-CE 3.89Å; L658-M713 HydrophobicContact CD2-CE 4.06Å; L658-M713 HydrophobicContact CG-CE 3.65Å; L658-I727 HydrophobicContact CD2-CD1 4.38Å
659	G	91.2	Very high	82.8	Confident	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-64.4	-40	174.3	0	0	0	0	0	112.7	V655 W656 S657 M662 Y663	V655-G659 PolarHBondContact O-N 3.45Å; W656-G659 WeakPolarHBondContact O-CA 3.44Å; W656-G659 PolarHBondContact O-N 2.97Å; S657-G659 VanDerWaalsContact C-N 3.25Å; S657-G659 PolarHBondContact O-N 2.78Å; G659-M662 PolarHBondContact O-N 2.85Å; G659-Y663 WeakPolarHBondContact O-CB 3.29Å; G659-Y663 PolarHBondContact O-N 2.82Å
660	V	86.4	Confident	83.5	Confident	0 Å²	0	12.5 Å²	12.5	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-65.5	-40.3	173.7	176	0	0	0	0	110.8	W656 S657 T664 P671 L714 T762 F763 L766	W656-V660 PolarHBondContact O-N 2.81Å; S657-V660 PolarHBondContact O-N 2.67Å; V660-T664 WeakPolarHBondContact O-CB 3.31Å; V660-T664 PolarHBondContact O-N 2.56Å; V660-T664 PolarHBondContact O-OG1 2.85Å; V660-P671 HydrophobicContact CG1-CG 4.39Å; V660-P671 HydrophobicContact CG2-CG 4.22Å; V660-L714 HydrophobicContact CG2-CD2 3.92Å; V660-T762 HydrophobicContact CG1-CG2 4.21Å; V660-F763 HydrophobicContact CB-CE2 4.44Å; V660-F763 HydrophobicContact CB-CZ 4.01Å; V660-F763 HydrophobicContact CG1-CE2 3.85Å; V660-F763 HydrophobicContact CG1-CZ 3.93Å; V660-L766 HydrophobicContact CG2-CD1 4.49Å
661	I	87.8	Confident	83.8	Confident	0 Å²	0	10.7 Å²	10.7	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-64	-49.8	175.5	-61.4	172.9	0	0	0	110.4	L555 L594 P596 S657 L658 Y663 T664 M665 F763	L555-I661 HydrophobicContact CD2-CG2 4.22Å; L594-I661 HydrophobicContact CG-CD1 4.24Å; P596-I661 HydrophobicContact CG-CD1 4.43Å; P596-I661 HydrophobicContact CG-CG1 3.95Å; S657-I661 WeakPolarHBondContact O-CG1 3.49Å; S657-I661 PolarHBondContact O-N 2.8Å; L658-I661 HydrophobicContact CD1-CB 4.49Å; L658-I661 PolarHBondContact O-N 2.97Å; I661-Y663 PolarHBondContact O-N 2.83Å; I661-T664 WeakPolarHBondContact O-CB 3.48Å; I661-T664 PolarHBondContact O-N 3.38Å; I661-T664 VanDerWaalsContact O-N 3.11Å; I661-M665 HydrophobicContact CG2-CE 4.32Å; I661-M665 WeakPolarHBondContact O-CG 3.43Å; I661-M665 PolarHBondContact O-N 2.64Å; I661-F763 HydrophobicContact CG1-CZ 4.41Å
662	M	90.3	Very high	83.5	Confident	0 Å²	0	9.9 Å²	9.9	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-58.1	-45.5	177.6	-178.9	-172.3	164	0	0	111.9	T574 L658 G659 T664 M665 L666 A706 L709 L710 M713 W732	T574-M662 HydrophobicContact CG2-SD 4.25Å; L658-M662 WeakPolarHBondContact O-CB 3.23Å; L658-M662 PolarHBondContact O-N 3.47Å; G659-M662 PolarHBondContact O-N 2.85Å; M662-T664 VanDerWaalsContact C-N 3.32Å; M662-T664 PolarHBondContact O-N 2.85Å; M662-M665 PolarHBondContact O-N 3.43Å; M662-L666 HydrophobicContact CE-CD1 3.65Å; M662-L666 HydrophobicContact CG-CD1 4.01Å; M662-L666 WeakPolarHBondContact O-CG 3.38Å; M662-L666 PolarHBondContact O-N 2.88Å; M662-A706 HydrophobicContact CE-CB 4.12Å; M662-L709 HydrophobicContact CE-CB 4.27Å; M662-L709 HydrophobicContact CE-CD2 4.06Å; M662-L709 HydrophobicContact CE-CG 4.31Å; M662-L709 HydrophobicContact SD-CD2 4.03Å; M662-L709 HydrophobicContact SD-CG 4.2Å; M662-L710 HydrophobicContact CB-CD2 3.98Å; M662-L710 HydrophobicContact CE-CD1 4.41Å; M662-L710 HydrophobicContact CE-CD2 4.11Å; M662-L710 HydrophobicContact CE-CG 3.76Å; M662-L710 HydrophobicContact CG-CD2 3.81Å; M662-L710 HydrophobicContact CG-CG 4.45Å; M662-L710 HydrophobicContact SD-CD2 3.7Å; M662-L710 HydrophobicContact SD-CG 4Å; M662-M713 HydrophobicContact SD-SD 4.02Å; M662-W732 HydrophobicContact CE-CD2 4.23Å; M662-W732 HydrophobicContact CE-CE3 3.78Å; M662-W732 HydrophobicContact CE-CH2 3.6Å; M662-W732 HydrophobicContact CE-CZ2 4.07Å; M662-W732 HydrophobicContact CE-CZ3 3.44Å; M662-W732 VanDerWaalsContact CE-CZ3 3.44Å; M662-W732 HydrophobicContact CG-CH2 4.42Å; M662-W732 HydrophobicContact CG-CZ3 4.43Å; M662-W732 HydrophobicContact SD-CH2 4.41Å; M662-W732 HydrophobicContact SD-CZ3 3.97Å
663	Y	86.1	Confident	82.8	Confident	2 Å²	2	9.7 Å²	9.7	1%	0.008	6%	0.056	C	C	.	.	H	α-helix	trans	-59.7	-44.4	175	-176.1	-77.8	0	0	0	110.9	G659 I661 M665 L666 F667 Q669 T670 P671 W699 L710	G659-Y663 WeakPolarHBondContact O-CB 3.29Å; G659-Y663 PolarHBondContact O-N 2.82Å; I661-Y663 PolarHBondContact O-N 2.83Å; Y663-M665 VanDerWaalsContact C-N 3.34Å; Y663-M665 PolarHBondContact O-N 3.34Å; Y663-L666 PolarHBondContact O-N 3Å; Y663-F667 HydrophobicContact CD1-CB 4.3Å; Y663-F667 HydrophobicContact CD1-CD2 4.04Å; Y663-F667 AromaticContact CD2-CD2 3.63Å; Y663-F667 HydrophobicContact CD2-CD2 3.63Å; Y663-F667 AromaticContact CD2-CE2 3.94Å; Y663-F667 HydrophobicContact CD2-CE2 3.94Å; Y663-F667 HydrophobicContact CE1-CB 3.94Å; Y663-F667 HydrophobicContact CE1-CD2 4.03Å; Y663-F667 HydrophobicContact CE1-CG 4.25Å; Y663-F667 AromaticContact CE2-CD2 3.63Å; Y663-F667 HydrophobicContact CE2-CD2 3.63Å; Y663-F667 AromaticContact CE2-CE2 3.97Å; Y663-F667 HydrophobicContact CE2-CE2 3.97Å; Y663-F667 HydrophobicContact CE2-CG 4.33Å; Y663-F667 AromaticContact CG-CD2 3.83Å; Y663-F667 HydrophobicContact CG-CD2 3.83Å; Y663-F667 HydrophobicContact CG-CE2 4.5Å; Y663-F667 AromaticContact CZ-CD2 3.83Å; Y663-F667 WeakPolarHBondContact O-CB 3.4Å; Y663-F667 WeakPolarHBondContact O-CD2 3.33Å; Y663-F667 PolarHBondContact O-N 3.44Å; Y663-Q669 VanDerWaalsContact CD1-O 3.24Å; Y663-Q669 WeakPolarHBondContact CD1-O 3.34Å; Y663-Q669 HydrophobicContact CE1-CG 4.08Å; Y663-Q669 WeakPolarHBondContact CE1-O 3.46Å; Y663-Q669 PolarHBondContact OH-NE2 2.76Å; Y663-T670 VanDerWaalsContact CE1-C 3.42Å; Y663-T670 WeakPolarHBondContact CE1-O 3.01Å; Y663-P671 HydrophobicContact CD1-CB 3.83Å; Y663-P671 VanDerWaalsContact CD1-CD 3.5Å; Y663-P671 HydrophobicContact CD1-CG 4.03Å; Y663-P671 HydrophobicContact CD2-CB 3.96Å; Y663-P671 HydrophobicContact CE1-CB 3.91Å; Y663-P671 HydrophobicContact CE2-CB 4.05Å; Y663-P671 HydrophobicContact CG-CB 3.87Å; Y663-P671 HydrophobicContact CG-CG 4.08Å; Y663-W699 HydrophobicContact CE2-CZ3 4.31Å; Y663-L710 HydrophobicContact CD2-CD1 4.25Å
664	T	82.2	Confident	82.2	Confident	2 Å²	2	12.8 Å²	12.8	1%	0.012	7%	0.069	C	C	.	.	H	α-helix	trans	-63.2	-38.8	179.5	-52.8	0	0	0	0	112	L556 F560 V660 I661 M662 G668 Q669 T755 V759	L556-T664 HydrophobicContact CD1-CG2 3.96Å; L556-T664 HydrophobicContact CD2-CG2 4.17Å; F560-T664 HydrophobicContact CZ-CG2 4.45Å; V660-T664 WeakPolarHBondContact O-CB 3.31Å; V660-T664 PolarHBondContact O-N 2.56Å; V660-T664 PolarHBondContact O-OG1 2.85Å; I661-T664 WeakPolarHBondContact O-CB 3.48Å; I661-T664 PolarHBondContact O-N 3.38Å; I661-T664 VanDerWaalsContact O-N 3.11Å; M662-T664 VanDerWaalsContact C-N 3.32Å; M662-T664 PolarHBondContact O-N 2.85Å; T664-G668 WeakPolarHBondContact O-CA 3.37Å; T664-G668 PolarHBondContact O-N 3.1Å; T664-Q669 WeakPolarHBondContact CA-O 3.47Å; T664-T755 HydrophobicContact CG2-CG2 4.42Å; T664-V759 HydrophobicContact CG2-CG2 3.9Å
665	M	85.3	Confident	81.2	Confident	11 Å²	11	19.1 Å²	19.1	5%	0.054	10%	0.096	C	C	.	.	H	α-helix	trans	-65.7	-38.6	175.1	-69	-168.7	-62.6	0	0	113.2	L555 L556 I559 L565 A570 I573 T574 I661 M662 Y663	L555-M665 HydrophobicContact CD2-SD 4.47Å; L556-M665 HydrophobicContact CD2-CG 4.43Å; I559-M665 HydrophobicContact CD1-CG 3.99Å; I559-M665 HydrophobicContact CD1-SD 3.9Å; L565-M665 HydrophobicContact CD1-CB 4.23Å; L565-M665 HydrophobicContact CD1-CG 4.31Å; L565-M665 HydrophobicContact CD1-SD 4.09Å; A570-M665 HydrophobicContact CB-CB 4.25Å; I573-M665 HydrophobicContact CB-CE 4.19Å; I573-M665 HydrophobicContact CB-SD 4.04Å; I573-M665 HydrophobicContact CD1-SD 3.92Å; I573-M665 HydrophobicContact CG2-CE 3.9Å; I573-M665 HydrophobicContact CG2-SD 3.66Å; T574-M665 WeakPolarHBondContact OG1-CE 3.48Å; I661-M665 HydrophobicContact CG2-CE 4.32Å; I661-M665 WeakPolarHBondContact O-CG 3.43Å; I661-M665 PolarHBondContact O-N 2.64Å; M662-M665 PolarHBondContact O-N 3.43Å; Y663-M665 VanDerWaalsContact C-N 3.34Å; Y663-M665 PolarHBondContact O-N 3.34Å
666	L	83.6	Confident	79.7	Confident	7 Å²	7	20.4 Å²	20.4	4%	0.037	11%	0.105	C	C	.	.	H	α-helix	trans	-83.5	-28.1	-176.7	-67.4	173.1	0	0	0	113.8	E567 A570 M662 Y663 I702 A706 L710 W732 L744	E567-L666 HydrophobicContact CG-CD2 4.21Å; A570-L666 HydrophobicContact CB-CD2 3.65Å; A570-L666 HydrophobicContact CB-CG 4.28Å; M662-L666 HydrophobicContact CE-CD1 3.65Å; M662-L666 HydrophobicContact CG-CD1 4.01Å; M662-L666 WeakPolarHBondContact O-CG 3.38Å; M662-L666 PolarHBondContact O-N 2.88Å; Y663-L666 PolarHBondContact O-N 3Å; L666-I702 HydrophobicContact CB-CD1 4.41Å; L666-I702 HydrophobicContact CD1-CG2 4.48Å; L666-I702 HydrophobicContact CD2-CD1 4.39Å; L666-A706 HydrophobicContact CD1-CB 4.08Å; L666-L710 HydrophobicContact CD1-CD1 4.16Å; L666-W732 HydrophobicContact CD1-CH2 4.42Å; L666-W732 HydrophobicContact CD1-CZ2 4.34Å; L666-W732 HydrophobicContact CD2-CZ2 4.24Å; L666-L744 HydrophobicContact CD2-CD1 3.94Å
667	F	78.7	Confident	78.8	Confident	13 Å²	13	27.2 Å²	27.2	6%	0.057	14%	0.142	C	C	.	.	H	α-helix	trans	-117.3	-9.3	-173.3	-64.2	-71.9	0	0	0	115	Y663 Q669 N698 W699 I702 L710	Y663-F667 HydrophobicContact CD1-CB 4.3Å; Y663-F667 HydrophobicContact CD1-CD2 4.04Å; Y663-F667 AromaticContact CD2-CD2 3.63Å; Y663-F667 HydrophobicContact CD2-CD2 3.63Å; Y663-F667 AromaticContact CD2-CE2 3.94Å; Y663-F667 HydrophobicContact CD2-CE2 3.94Å; Y663-F667 HydrophobicContact CE1-CB 3.94Å; Y663-F667 HydrophobicContact CE1-CD2 4.03Å; Y663-F667 HydrophobicContact CE1-CG 4.25Å; Y663-F667 AromaticContact CE2-CD2 3.63Å; Y663-F667 HydrophobicContact CE2-CD2 3.63Å; Y663-F667 AromaticContact CE2-CE2 3.97Å; Y663-F667 HydrophobicContact CE2-CE2 3.97Å; Y663-F667 HydrophobicContact CE2-CG 4.33Å; Y663-F667 AromaticContact CG-CD2 3.83Å; Y663-F667 HydrophobicContact CG-CD2 3.83Å; Y663-F667 HydrophobicContact CG-CE2 4.5Å; Y663-F667 AromaticContact CZ-CD2 3.83Å; Y663-F667 WeakPolarHBondContact O-CB 3.4Å; Y663-F667 WeakPolarHBondContact O-CD2 3.33Å; Y663-F667 PolarHBondContact O-N 3.44Å; F667-Q669 HydrophobicContact CB-CG 4.14Å; F667-Q669 PolarHBondContact O-N 3.12Å; F667-N698 HydrophobicContact CD1-CB 4.49Å; F667-W699 AromaticContact CE1-CE3 3.58Å; F667-W699 HydrophobicContact CE1-CE3 3.58Å; F667-W699 HydrophobicContact CE1-CZ3 4.01Å; F667-W699 HydrophobicContact CE2-CE3 4Å; F667-W699 HydrophobicContact CE2-CH2 4.46Å; F667-W699 AromaticContact CE2-CZ3 3.53Å; F667-W699 HydrophobicContact CE2-CZ3 3.53Å; F667-W699 HydrophobicContact CZ-CD2 4.28Å; F667-W699 AromaticContact CZ-CE3 3.25Å; F667-W699 HydrophobicContact CZ-CE3 3.25Å; F667-W699 HydrophobicContact CZ-CH2 4.2Å; F667-W699 AromaticContact CZ-CZ3 3.21Å; F667-W699 HydrophobicContact CZ-CZ3 3.21Å; F667-I702 HydrophobicContact CE1-CG1 3.67Å; F667-I702 HydrophobicContact CZ-CB 4.32Å; F667-I702 HydrophobicContact CZ-CG1 3.72Å; F667-L710 HydrophobicContact CE2-CD1 3.86Å
668	G	73.7	Confident	77.9	Confident	16 Å²	16	28.6 Å²	28.6	17%	0.165	15%	0.148	C	C	.	.	S	Bend	trans	70.2	8.7	180	0	0	0	0	0	115	T664 L749 T755	T664-G668 WeakPolarHBondContact O-CA 3.37Å; T664-G668 PolarHBondContact O-N 3.1Å; G668-L749 VanDerWaalsContact CA-CD2 3.47Å; G668-L749 WeakPolarHBondContact O-CD2 3.45Å; G668-T755 WeakPolarHBondContact O-CG2 3.26Å
669	Q	72.9	Confident	76.8	Confident	71 Å²	71	31.1 Å²	31.1	33%	0.332	17%	0.165	S	C	.	.	S	Bend	trans	-145.8	167.6	-178.1	65.2	170.9	31.8	0	0	109.6	Y663 T664 F667 N696	Y663-Q669 VanDerWaalsContact CD1-O 3.24Å; Y663-Q669 WeakPolarHBondContact CD1-O 3.34Å; Y663-Q669 HydrophobicContact CE1-CG 4.08Å; Y663-Q669 WeakPolarHBondContact CE1-O 3.46Å; Y663-Q669 PolarHBondContact OH-NE2 2.76Å; T664-Q669 WeakPolarHBondContact CA-O 3.47Å; F667-Q669 HydrophobicContact CB-CG 4.14Å; F667-Q669 PolarHBondContact O-N 3.12Å; Q669-N696 VanDerWaalsContact CD-ND2 3.25Å; Q669-N696 PolarHBondContact NE2-ND2 3.03Å; Q669-N696 PolarHBondContact OE1-ND2 3.38Å
670	T	74.1	Confident	75.8	Confident	7 Å²	7	33.1 Å²	33.1	4%	0.043	18%	0.179	C	C	.	.			trans	-84	158.3	175.7	94.1	0	0	0	0	112	Y663 F672 A673 S758 V759 T762	Y663-T670 VanDerWaalsContact CE1-C 3.42Å; Y663-T670 WeakPolarHBondContact CE1-O 3.01Å; T670-F672 VanDerWaalsContact C-N 3.35Å; T670-F672 PolarHBondContact OG1-N 3.38Å; T670-A673 WeakPolarHBondContact OG1-CA 3.43Å; T670-A673 PolarHBondContact OG1-N 3.31Å; T670-A673 PolarHBondContact OG1-O 3.33Å; T670-S758 VanDerWaalsContact CG2-C 3.44Å; T670-V759 HydrophobicContact CG2-CB 4.3Å; T670-V759 HydrophobicContact CG2-CG2 3.7Å; T670-T762 PolarHBondContact OG1-OG1 3.17Å
671	P	72.8	Confident	74.9	Confident	11 Å²	11	38.8 Å²	38.8	7%	0.071	21%	0.206	C	C	.	.	S	Bend	trans	-76	-15.7	177.3	25.3	-28.3	0	0	0	114.7	V660 Y663 L692 L714	V660-P671 HydrophobicContact CG1-CG 4.39Å; V660-P671 HydrophobicContact CG2-CG 4.22Å; Y663-P671 HydrophobicContact CD1-CB 3.83Å; Y663-P671 VanDerWaalsContact CD1-CD 3.5Å; Y663-P671 HydrophobicContact CD1-CG 4.03Å; Y663-P671 HydrophobicContact CD2-CB 3.96Å; Y663-P671 HydrophobicContact CE1-CB 3.91Å; Y663-P671 HydrophobicContact CE2-CB 4.05Å; Y663-P671 HydrophobicContact CG-CB 3.87Å; Y663-P671 HydrophobicContact CG-CG 4.08Å; P671-L692 HydrophobicContact CB-CD2 3.85Å; P671-L714 HydrophobicContact CB-CD1 4.46Å; P671-L714 HydrophobicContact CG-CD1 4.31Å
672	F	73.8	Confident	74.2	Confident	4 Å²	4	41.4 Å²	41.4	2%	0.018	22%	0.222	C	C	.	.	S	Bend	trans	-135	-37.3	-169.2	-53.5	-64.5	0	0	0	115.2	W656 T670 V683 R686 I687 L692 T762	W656-F672 HydrophobicContact CH2-CE2 4.07Å; W656-F672 AromaticContact CH2-CZ 3.81Å; W656-F672 HydrophobicContact CH2-CZ 3.81Å; W656-F672 HydrophobicContact CZ2-CD2 4.37Å; W656-F672 AromaticContact CZ2-CE2 3.4Å; W656-F672 HydrophobicContact CZ2-CE2 3.4Å; W656-F672 VanDerWaalsContact CZ2-CE2 3.4Å; W656-F672 AromaticContact CZ2-CZ 3.64Å; W656-F672 HydrophobicContact CZ2-CZ 3.64Å; T670-F672 VanDerWaalsContact C-N 3.35Å; T670-F672 PolarHBondContact OG1-N 3.38Å; F672-V683 HydrophobicContact CB-CG1 3.84Å; F672-R686 HydrophobicContact CD1-CB 4.34Å; F672-R686 VanDerWaalsContact O-CD 3.28Å; F672-R686 WeakPolarHBondContact O-CD 3.36Å; F672-R686 PolarHBondContact O-NH1 3.31Å; F672-I687 HydrophobicContact CB-CD1 4.44Å; F672-I687 HydrophobicContact CB-CG1 3.99Å; F672-I687 HydrophobicContact CD1-CG1 3.74Å; F672-I687 HydrophobicContact CD2-CD1 4.19Å; F672-I687 HydrophobicContact CD2-CG1 3.59Å; F672-I687 HydrophobicContact CE1-CG1 4.08Å; F672-I687 HydrophobicContact CE2-CG1 3.96Å; F672-I687 HydrophobicContact CG-CD1 4.3Å; F672-I687 HydrophobicContact CG-CG1 3.49Å; F672-I687 VanDerWaalsContact CG-CG1 3.49Å; F672-I687 HydrophobicContact CZ-CG1 4.19Å; F672-L692 HydrophobicContact CE1-CD2 3.85Å; F672-L692 HydrophobicContact CZ-CD2 3.68Å; F672-T762 HydrophobicContact CB-CG2 4.38Å; F672-T762 HydrophobicContact CD2-CG2 4.03Å
673	A	66.6	Low	73.1	Confident	3 Å²	3	41.4 Å²	41.4	3%	0.025	22%	0.222	C	C	.	.			trans	-90	114.4	171.9	0	0	0	0	0	110	T670 V683 S758 A761 T762	T670-A673 WeakPolarHBondContact OG1-CA 3.43Å; T670-A673 PolarHBondContact OG1-N 3.31Å; T670-A673 PolarHBondContact OG1-O 3.33Å; A673-V683 HydrophobicContact CB-CG2 4.04Å; A673-S758 VanDerWaalsContact CB-O 3.3Å; A673-S758 WeakPolarHBondContact CB-O 3.48Å; A673-A761 HydrophobicContact CB-CB 4.18Å; A673-T762 VanDerWaalsContact CB-OG1 3.23Å; A673-T762 WeakPolarHBondContact CB-OG1 3.43Å
674	I	69.5	Low	72.1	Confident	103 Å²	103	42.4 Å²	42.4	53%	0.528	23%	0.227	S	C	.	.			trans	-90.6	-25.7	-178.9	-58.5	177	0	0	0	110.1	E678	I674-E678 PolarHBondContact N-OE2 2.97Å
675	K	67.7	Low	71.4	Confident	133 Å²	133	45.2 Å²	45.2	58%	0.578	25%	0.247	S	C	*	.	S	Bend	trans	-132	148.6	176.9	-45.2	176.8	-177.8	174.9	0	111.8	N677 E678	K675-N677 PolarHBondContact O-N 3Å; K675-E678 HydrophobicContact CB-CG 4.03Å; K675-E678 HydrophobicContact CG-CG 4.4Å; K675-E678 PolarHBondContact N-OE2 3.12Å; K675-E678 VanDerWaalsContact N-OE2 3.09Å; K675-E678 PolarHBondContact O-N 2.82Å
676	P	60.9	Low	70.8	Confident	29 Å²	29	47.4 Å²	47.4	19%	0.188	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.2	-30.9	-179.5	-32.7	37.6	0	0	0	116.4	Q754 N757	P676-Q754 HydrophobicContact CG-CB 3.87Å; P676-Q754 HydrophobicContact CG-CG 4.13Å; P676-N757 HydrophobicContact CB-CB 3.77Å; P676-N757 HydrophobicContact CG-CB 4.39Å
677	N	67.9	Low	70.1	Confident	153 Å²	153	47.8 Å²	47.8	82%	0.818	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.8	24.5	-171.4	-61.7	-13.7	0	0	0	112.5	K675	K675-N677 PolarHBondContact O-N 3Å
678	E	70	Confident	69.4	Low	36 Å²	36	54 Å²	54	17%	0.168	29%	0.286	C	S	.	.			trans	-67.2	140.5	170.2	-82.7	175.1	146	0	0	111	I674 K675 V683 R686	I674-E678 PolarHBondContact N-OE2 2.97Å; K675-E678 HydrophobicContact CB-CG 4.03Å; K675-E678 HydrophobicContact CG-CG 4.4Å; K675-E678 PolarHBondContact N-OE2 3.12Å; K675-E678 VanDerWaalsContact N-OE2 3.09Å; K675-E678 PolarHBondContact O-N 2.82Å; E678-V683 HydrophobicContact CB-CG2 4.01Å; E678-R686 IonicContact OE1-CZ 2.75Å; E678-R686 IonicContact OE1-NH1 2.86Å; E678-R686 PolarHBondContact OE1-NH1 3.27Å; E678-R686 IonicContact OE1-NH2 2.65Å; E678-R686 PolarHBondContact OE1-NH2 2.93Å; E678-R686 IonicContact OE2-CZ 2.64Å; E678-R686 IonicContact OE2-NH1 2.63Å; E678-R686 PolarHBondContact OE2-NH1 2.94Å; E678-R686 IonicContact OE2-NH2 2.7Å
679	S	72	Confident	69.1	Low	53 Å²	53	56.3 Å²	56.3	37%	0.371	30%	0.299	S	S	.	.			trans	-71.2	154.9	179.5	84.6	0	0	0	0	110.8	E681 V682 V683	S679-E681 WeakPolarHBondContact CB-OE2 3.36Å; S679-E681 PolarHBondContact O-N 3.48Å; S679-E681 PolarHBondContact OG-OE2 3.31Å; S679-V682 PolarHBondContact O-N 3.35Å; S679-V682 VanDerWaalsContact O-N 3.16Å; S679-V683 PolarHBondContact O-N 2.91Å
680	S	69	Low	68.5	Low	42 Å²	42	54.9 Å²	54.9	29%	0.294	30%	0.303	S	S	.	.	H	α-helix	trans	-47.6	-49.8	175.6	18.9	0	0	0	0	110.8	V682 V683 L684	S680-V682 VanDerWaalsContact C-N 3.29Å; S680-V682 PolarHBondContact O-N 3.27Å; S680-V683 PolarHBondContact O-N 2.92Å; S680-V683 VanDerWaalsContact O-N 3.13Å; S680-L684 WeakPolarHBondContact O-CB 3.45Å; S680-L684 WeakPolarHBondContact O-CG 3.46Å; S680-L684 PolarHBondContact O-N 3.3Å
681	E	67.5	Low	67.8	Low	118 Å²	118	63.8 Å²	63.8	55%	0.551	34%	0.336	S	S	*	.	H	α-helix	trans	-60.4	-37.1	-174.5	-51.5	66.5	-128.2	0	0	112.2	S679 S685	S679-E681 WeakPolarHBondContact CB-OE2 3.36Å; S679-E681 PolarHBondContact O-N 3.48Å; S679-E681 PolarHBondContact OG-OE2 3.31Å; E681-S685 WeakPolarHBondContact O-CB 3.34Å; E681-S685 PolarHBondContact O-N 3.49Å
682	V	73.5	Confident	67.3	Low	55 Å²	55	64.3 Å²	64.3	33%	0.333	34%	0.338	S	S	.	.	H	α-helix	trans	-70.2	-46.4	177.6	174.9	0	0	0	0	110.6	S679 S680 L684 S685 R686	S679-V682 PolarHBondContact O-N 3.35Å; S679-V682 VanDerWaalsContact O-N 3.16Å; S680-V682 VanDerWaalsContact C-N 3.29Å; S680-V682 PolarHBondContact O-N 3.27Å; V682-L684 VanDerWaalsContact C-N 3.34Å; V682-S685 PolarHBondContact O-N 3.31Å; V682-S685 PolarHBondContact O-OG 2.92Å; V682-R686 PolarHBondContact O-N 3.25Å
683	V	68	Low	66.6	Low	1 Å²	1	68.3 Å²	68.3	1%	0.006	36%	0.36	C	S	.	.	H	α-helix	trans	-64.4	-41.5	178.1	-179.4	0	0	0	0	110.8	F672 A673 E678 S679 S680 R686 I687 A765	F672-V683 HydrophobicContact CB-CG1 3.84Å; A673-V683 HydrophobicContact CB-CG2 4.04Å; E678-V683 HydrophobicContact CB-CG2 4.01Å; S679-V683 PolarHBondContact O-N 2.91Å; S680-V683 PolarHBondContact O-N 2.92Å; S680-V683 VanDerWaalsContact O-N 3.13Å; V683-R686 PolarHBondContact O-N 3.07Å; V683-I687 HydrophobicContact CG1-CD1 4.02Å; V683-I687 WeakPolarHBondContact O-CG1 3.3Å; V683-I687 PolarHBondContact O-N 3.45Å; V683-I687 VanDerWaalsContact O-N 3.09Å; V683-A765 HydrophobicContact CB-CB 3.74Å; V683-A765 HydrophobicContact CG1-CB 3.65Å
684	L	65.2	Low	65.8	Low	23 Å²	23	71.6 Å²	71.6	12%	0.12	38%	0.376	C	S	.	.	H	α-helix	trans	-61.1	-43.8	174.9	-69.8	-176.9	0	0	0	112.4	S680 V682 R686 I687 E688 A765 T769	S680-L684 WeakPolarHBondContact O-CB 3.45Å; S680-L684 WeakPolarHBondContact O-CG 3.46Å; S680-L684 PolarHBondContact O-N 3.3Å; V682-L684 VanDerWaalsContact C-N 3.34Å; L684-R686 PolarHBondContact O-N 3.42Å; L684-I687 HydrophobicContact CD2-CD1 4.08Å; L684-I687 WeakPolarHBondContact O-CB 3.01Å; L684-I687 PolarHBondContact O-N 3.09Å; L684-E688 WeakPolarHBondContact O-CB 3.34Å; L684-E688 WeakPolarHBondContact O-CG 3.5Å; L684-E688 PolarHBondContact O-N 2.93Å; L684-A765 HydrophobicContact CD2-CB 4.04Å; L684-A765 WeakPolarHBondContact CD2-O 3.31Å; L684-A765 HydrophobicContact CG-CB 4.27Å; L684-T769 HydrophobicContact CD1-CG2 3.91Å; L684-T769 HydrophobicContact CD2-CG2 3.34Å; L684-T769 WeakPolarHBondContact CD2-OG1 3.5Å; L684-T769 HydrophobicContact CG-CG2 4.1Å
685	S	67.3	Low	64.8	Low	61 Å²	61	73.8 Å²	73.8	43%	0.427	39%	0.388	S	S	.	.	H	α-helix	trans	-60.8	-29.8	178.4	73.9	0	0	0	0	112.9	E681 V682 S689	E681-S685 WeakPolarHBondContact O-CB 3.34Å; E681-S685 PolarHBondContact O-N 3.49Å; V682-S685 PolarHBondContact O-N 3.31Å; V682-S685 PolarHBondContact O-OG 2.92Å; S685-S689 WeakPolarHBondContact O-CB 3.23Å; S685-S689 PolarHBondContact O-N 3.11Å; S685-S689 VanDerWaalsContact O-N 3.1Å
686	R	71.2	Confident	64.4	Low	56 Å²	56	69 Å²	69	21%	0.211	37%	0.368	C	S	.	.	H	α-helix	trans	-75	-42.4	173.1	-64.3	179.1	-169.9	134.8	3	111.9	F672 E678 V682 V683 L684 S689	F672-R686 HydrophobicContact CD1-CB 4.34Å; F672-R686 VanDerWaalsContact O-CD 3.28Å; F672-R686 WeakPolarHBondContact O-CD 3.36Å; F672-R686 PolarHBondContact O-NH1 3.31Å; E678-R686 IonicContact OE1-CZ 2.75Å; E678-R686 IonicContact OE1-NH1 2.86Å; E678-R686 PolarHBondContact OE1-NH1 3.27Å; E678-R686 IonicContact OE1-NH2 2.65Å; E678-R686 PolarHBondContact OE1-NH2 2.93Å; E678-R686 IonicContact OE2-CZ 2.64Å; E678-R686 IonicContact OE2-NH1 2.63Å; E678-R686 PolarHBondContact OE2-NH1 2.94Å; E678-R686 IonicContact OE2-NH2 2.7Å; V682-R686 PolarHBondContact O-N 3.25Å; V683-R686 PolarHBondContact O-N 3.07Å; L684-R686 PolarHBondContact O-N 3.42Å; R686-S689 WeakPolarHBondContact O-CB 3.49Å; R686-S689 PolarHBondContact O-N 3.44Å; R686-S689 PolarHBondContact O-OG 3.29Å
687	I	69.2	Low	64.2	Low	16 Å²	16	76.9 Å²	76.9	8%	0.082	40%	0.4	C	S	.	.	H	α-helix	trans	-58.1	-50	174.2	-68.8	160.8	0	0	0	110.3	W656 F672 V683 L684 S689 G690 L766	W656-I687 HydrophobicContact CH2-CG2 3.84Å; W656-I687 HydrophobicContact CZ2-CG1 4.27Å; W656-I687 HydrophobicContact CZ2-CG2 3.71Å; F672-I687 HydrophobicContact CB-CD1 4.44Å; F672-I687 HydrophobicContact CB-CG1 3.99Å; F672-I687 HydrophobicContact CD1-CG1 3.74Å; F672-I687 HydrophobicContact CD2-CD1 4.19Å; F672-I687 HydrophobicContact CD2-CG1 3.59Å; F672-I687 HydrophobicContact CE1-CG1 4.08Å; F672-I687 HydrophobicContact CE2-CG1 3.96Å; F672-I687 HydrophobicContact CG-CD1 4.3Å; F672-I687 HydrophobicContact CG-CG1 3.49Å; F672-I687 VanDerWaalsContact CG-CG1 3.49Å; F672-I687 HydrophobicContact CZ-CG1 4.19Å; V683-I687 HydrophobicContact CG1-CD1 4.02Å; V683-I687 WeakPolarHBondContact O-CG1 3.3Å; V683-I687 PolarHBondContact O-N 3.45Å; V683-I687 VanDerWaalsContact O-N 3.09Å; L684-I687 HydrophobicContact CD2-CD1 4.08Å; L684-I687 WeakPolarHBondContact O-CB 3.01Å; L684-I687 PolarHBondContact O-N 3.09Å; I687-S689 VanDerWaalsContact C-N 3.29Å; I687-S689 PolarHBondContact O-N 2.83Å; I687-G690 PolarHBondContact O-N 2.94Å; I687-G690 VanDerWaalsContact O-N 3.15Å; I687-L766 HydrophobicContact CD1-CD2 3.75Å; I687-L766 HydrophobicContact CD1-CG 4.1Å
688	E	64.8	Low	64.1	Low	144 Å²	144	70.7 Å²	70.7	67%	0.673	37%	0.367	S	S	*	.	H	α-helix	trans	-62.6	-32.9	178	-72.1	179.7	172	0	0	112.9	L684 G690	L684-E688 WeakPolarHBondContact O-CB 3.34Å; L684-E688 WeakPolarHBondContact O-CG 3.5Å; L684-E688 PolarHBondContact O-N 2.93Å; E688-G690 PolarHBondContact O-N 2.83Å; E688-G690 VanDerWaalsContact O-N 3.12Å
689	S	68.2	Low	64.2	Low	64 Å²	64	70.7 Å²	70.7	45%	0.448	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-19.1	176.8	83	0	0	0	0	113.6	S685 R686 I687 R691	S685-S689 WeakPolarHBondContact O-CB 3.23Å; S685-S689 PolarHBondContact O-N 3.11Å; S685-S689 VanDerWaalsContact O-N 3.1Å; R686-S689 WeakPolarHBondContact O-CB 3.49Å; R686-S689 PolarHBondContact O-N 3.44Å; R686-S689 PolarHBondContact O-OG 3.29Å; I687-S689 VanDerWaalsContact C-N 3.29Å; I687-S689 PolarHBondContact O-N 2.83Å; S689-R691 PolarHBondContact O-N 3.42Å; S689-R691 PolarHBondContact OG-N 3.4Å
690	G	59.2	Low	64.2	Low	40 Å²	40	75.2 Å²	75.2	41%	0.412	39%	0.385	S	S	.	.			trans	64.5	-1.9	-174.2	0	0	0	0	0	114.6	I687 E688 L692	I687-G690 PolarHBondContact O-N 2.94Å; I687-G690 VanDerWaalsContact O-N 3.15Å; E688-G690 PolarHBondContact O-N 2.83Å; E688-G690 VanDerWaalsContact O-N 3.12Å; G690-L692 PolarHBondContact O-N 2.88Å
691	R	60.5	Low	64.6	Low	194 Å²	194	77.5 Å²	77.5	73%	0.732	39%	0.39	S	S	*	.			trans	-84.7	93.1	175.2	-61.2	-178.5	-173.2	-174.7	1.9	108.3	S689 D693	S689-R691 PolarHBondContact O-N 3.42Å; S689-R691 PolarHBondContact OG-N 3.4Å; R691-D693 PolarHBondContact O-N 3.39Å
692	L	62.5	Low	65.4	Low	22 Å²	22	72.3 Å²	72.3	12%	0.115	37%	0.366	C	S	.	.			trans	-52.6	130.3	148.4	-65.5	170.6	0	0	0	106.9	P671 F672 G690 L694 L714	P671-L692 HydrophobicContact CB-CD2 3.85Å; F672-L692 HydrophobicContact CE1-CD2 3.85Å; F672-L692 HydrophobicContact CZ-CD2 3.68Å; G690-L692 PolarHBondContact O-N 2.88Å; L692-L694 HydrophobicContact CB-CD2 3.52Å; L692-L694 HydrophobicContact CB-CG 3.97Å; L692-L694 HydrophobicContact CD1-CD2 4.07Å; L692-L694 HydrophobicContact CG-CD2 4.45Å; L692-L694 WeakPolarHBondContact O-CG 3.47Å; L692-L694 PolarHBondContact O-N 2.88Å; L692-L714 HydrophobicContact CD1-CB 4.3Å; L692-L714 HydrophobicContact CD1-CD1 4.43Å; L692-L714 HydrophobicContact CD2-CB 4.3Å; L692-L714 HydrophobicContact CD2-CD1 3.76Å
693	D	57.2	Low	66.1	Low	89 Å²	89	71.3 Å²	71.3	48%	0.476	36%	0.362	S	S	.	.			trans	-76	76.6	172.7	-100.3	-34	0	0	0	108.8	R691 I695	R691-D693 PolarHBondContact O-N 3.39Å; D693-I695 PolarHBondContact O-N 3.19Å
694	L	51.3	Low	67.2	Low	71 Å²	71	76.9 Å²	76.9	37%	0.372	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	11.9	177.7	-50	173.3	0	0	0	112.7	L692 W699	L692-L694 HydrophobicContact CB-CD2 3.52Å; L692-L694 HydrophobicContact CB-CG 3.97Å; L692-L694 HydrophobicContact CD1-CD2 4.07Å; L692-L694 HydrophobicContact CG-CD2 4.45Å; L692-L694 WeakPolarHBondContact O-CG 3.47Å; L692-L694 PolarHBondContact O-N 2.88Å; L694-W699 HydrophobicContact CB-CD2 4.18Å; L694-W699 HydrophobicContact CB-CZ2 4.25Å; L694-W699 HydrophobicContact CD2-CE3 4.34Å; L694-W699 HydrophobicContact CD2-CH2 3.28Å; L694-W699 HydrophobicContact CD2-CZ2 3.41Å; L694-W699 VanDerWaalsContact CD2-CZ2 3.41Å; L694-W699 HydrophobicContact CD2-CZ3 3.75Å; L694-W699 HydrophobicContact CG-CH2 4.47Å; L694-W699 HydrophobicContact CG-CZ2 4.25Å; L694-W699 WeakPolarHBondContact O-CB 3.36Å
695	I	48.5	Very low	68.6	Low	150 Å²	150	79.2 Å²	79.2	77%	0.769	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106	18.8	-176.1	-39.3	177.1	0	0	0	110.4	D693 K697	D693-I695 PolarHBondContact O-N 3.19Å; I695-K697 PolarHBondContact O-N 3.11Å
696	N	58.2	Low	69.7	Low	32 Å²	32	76.3 Å²	76.3	17%	0.171	38%	0.383	C	S	.	.			trans	-60.5	135.4	164.5	-174.5	-38	0	0	0	108.9	Q669 N698 W699	Q669-N696 VanDerWaalsContact CD-ND2 3.25Å; Q669-N696 PolarHBondContact NE2-ND2 3.03Å; Q669-N696 PolarHBondContact OE1-ND2 3.38Å; N696-N698 PolarHBondContact O-N 3.15Å; N696-N698 PolarHBondContact OD1-N 3.25Å; N696-W699 VanDerWaalsContact O-CB 3.23Å; N696-W699 WeakPolarHBondContact O-CB 3.45Å; N696-W699 PolarHBondContact O-N 3.13Å
697	K	57.9	Low	70.7	Confident	195 Å²	195	75 Å²	75	85%	0.848	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-24	178.3	-65.5	-178.9	179	178.7	0	113.6	I695	I695-K697 PolarHBondContact O-N 3.11Å
698	N	64.9	Low	71.8	Confident	23 Å²	23	77.3 Å²	77.3	12%	0.123	39%	0.392	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-4.4	177	-69.6	-13.2	0	0	0	114.6	F667 N696 N700 K701 V747	F667-N698 HydrophobicContact CD1-CB 4.49Å; N696-N698 PolarHBondContact O-N 3.15Å; N696-N698 PolarHBondContact OD1-N 3.25Å; N698-N700 PolarHBondContact O-N 2.92Å; N698-N700 VanDerWaalsContact O-N 3.14Å; N698-K701 WeakPolarHBondContact O-CB 3.23Å; N698-K701 PolarHBondContact O-N 3.35Å; N698-V747 WeakPolarHBondContact ND2-CG2 3.33Å; N698-V747 WeakPolarHBondContact OD1-CG2 3.46Å
699	W	72	Confident	73.3	Confident	35 Å²	35	70.5 Å²	70.5	13%	0.133	36%	0.36	C	S	.	.	G	3₁₀ helix	trans	-57.3	-32.7	-177.4	-166.7	-103.6	0	0	0	113.2	Y663 F667 L694 N696 K701 K707	Y663-W699 HydrophobicContact CE2-CZ3 4.31Å; F667-W699 AromaticContact CE1-CE3 3.58Å; F667-W699 HydrophobicContact CE1-CE3 3.58Å; F667-W699 HydrophobicContact CE1-CZ3 4.01Å; F667-W699 HydrophobicContact CE2-CE3 4Å; F667-W699 HydrophobicContact CE2-CH2 4.46Å; F667-W699 AromaticContact CE2-CZ3 3.53Å; F667-W699 HydrophobicContact CE2-CZ3 3.53Å; F667-W699 HydrophobicContact CZ-CD2 4.28Å; F667-W699 AromaticContact CZ-CE3 3.25Å; F667-W699 HydrophobicContact CZ-CE3 3.25Å; F667-W699 HydrophobicContact CZ-CH2 4.2Å; F667-W699 AromaticContact CZ-CZ3 3.21Å; F667-W699 HydrophobicContact CZ-CZ3 3.21Å; L694-W699 HydrophobicContact CB-CD2 4.18Å; L694-W699 HydrophobicContact CB-CZ2 4.25Å; L694-W699 HydrophobicContact CD2-CE3 4.34Å; L694-W699 HydrophobicContact CD2-CH2 3.28Å; L694-W699 HydrophobicContact CD2-CZ2 3.41Å; L694-W699 VanDerWaalsContact CD2-CZ2 3.41Å; L694-W699 HydrophobicContact CD2-CZ3 3.75Å; L694-W699 HydrophobicContact CG-CH2 4.47Å; L694-W699 HydrophobicContact CG-CZ2 4.25Å; L694-W699 WeakPolarHBondContact O-CB 3.36Å; N696-W699 VanDerWaalsContact O-CB 3.23Å; N696-W699 WeakPolarHBondContact O-CB 3.45Å; N696-W699 PolarHBondContact O-N 3.13Å; W699-K701 VanDerWaalsContact C-N 3.26Å; W699-K701 PolarHBondContact O-N 2.92Å; W699-K707 HydrophobicContact CH2-CB 4.21Å; W699-K707 HydrophobicContact CH2-CG 3.89Å; W699-K707 HydrophobicContact CZ2-CB 3.69Å; W699-K707 HydrophobicContact CZ2-CD 3.65Å; W699-K707 HydrophobicContact CZ2-CG 3.35Å; W699-K707 WeakPolarHBondContact O-CE 3.35Å; W699-K707 PolarHBondContact O-NZ 3.47Å
700	N	73	Confident	74.4	Confident	149 Å²	149	67.5 Å²	67.5	80%	0.797	34%	0.339	S	S	*	.	G	3₁₀ helix	trans	-75	-9.3	177.6	-63.2	-15.5	0	0	0	114	N698	N698-N700 PolarHBondContact O-N 2.92Å; N698-N700 VanDerWaalsContact O-N 3.14Å
701	K	77.6	Confident	75.8	Confident	90 Å²	90	69.1 Å²	69.1	39%	0.391	34%	0.341	S	S	.	.	G	3₁₀ helix	trans	-90.2	-11.7	179.6	-59.2	-170.8	-179	-170.6	0	114.1	N698 W699 T745	N698-K701 WeakPolarHBondContact O-CB 3.23Å; N698-K701 PolarHBondContact O-N 3.35Å; W699-K701 VanDerWaalsContact C-N 3.26Å; W699-K701 PolarHBondContact O-N 2.92Å; K701-T745 PolarHBondContact NZ-O 2.69Å; K701-T745 PolarHBondContact NZ-OG1 2.98Å
702	I	82.8	Confident	77.3	Confident	8 Å²	8	63.4 Å²	63.4	4%	0.041	32%	0.321	C	S	.	.	S	Bend	trans	-102.8	143.5	-175.2	-57	-57.8	0	0	0	109.9	L666 F667 A706 K707 L744	L666-I702 HydrophobicContact CB-CD1 4.41Å; L666-I702 HydrophobicContact CD1-CG2 4.48Å; L666-I702 HydrophobicContact CD2-CD1 4.39Å; F667-I702 HydrophobicContact CE1-CG1 3.67Å; F667-I702 HydrophobicContact CZ-CB 4.32Å; F667-I702 HydrophobicContact CZ-CG1 3.72Å; I702-A706 HydrophobicContact CG2-CB 3.47Å; I702-A706 VanDerWaalsContact CG2-CB 3.47Å; I702-K707 WeakPolarHBondContact O-CE 3.47Å; I702-K707 PolarHBondContact O-NZ 2.89Å; I702-L744 HydrophobicContact CD1-CD1 3.68Å; I702-L744 HydrophobicContact CD1-CD2 3.46Å; I702-L744 VanDerWaalsContact CD1-CD2 3.46Å; I702-L744 HydrophobicContact CD1-CG 4.17Å
703	S	89.8	Confident	78.6	Confident	35 Å²	35	62.4 Å²	62.4	25%	0.245	32%	0.316	C	S	.	.			trans	-62.9	152	177.9	85.2	0	0	0	0	113	E567 L705 A706 K707	E567-S703 WeakPolarHBondContact OE1-CB 3.13Å; E567-S703 PolarHBondContact OE1-N 3.37Å; E567-S703 PolarHBondContact OE1-OG 3.28Å; E567-S703 PolarHBondContact OE2-N 2.85Å; E567-S703 VanDerWaalsContact OE2-N 3.12Å; S703-L705 PolarHBondContact O-N 3.44Å; S703-L705 PolarHBondContact OG-N 3.26Å; S703-A706 PolarHBondContact O-N 3.07Å; S703-A706 PolarHBondContact OG-N 3.12Å; S703-K707 WeakPolarHBondContact O-CG 3.36Å; S703-K707 PolarHBondContact O-N 3.23Å
704	D	89.8	Confident	80	Confident	118 Å²	118	58.4 Å²	58.4	63%	0.631	29%	0.294	S	S	*	.	H	α-helix	trans	-66.9	-21.8	177.5	-60.8	-37.8	0	0	0	112.9	K707 D708	D704-K707 PolarHBondContact O-N 3.34Å; D704-K707 WeakPolarHBondContact OD1-CD 3.19Å; D704-K707 IonicContact OD1-NZ 3.79Å; D704-K707 PolarHBondContact OD1-NZ 2.96Å; D704-D708 VanDerWaalsContact O-CB 3.31Å; D704-D708 WeakPolarHBondContact O-CB 3.26Å; D704-D708 PolarHBondContact O-N 2.91Å
705	L	94.1	Very high	81.5	Confident	71 Å²	71	57.1 Å²	57.1	37%	0.372	29%	0.288	S	S	.	.	H	α-helix	trans	-70.1	-34.9	174.5	-64.7	-179.7	0	0	0	112.7	S703 L709 H730 P731 W732	S703-L705 PolarHBondContact O-N 3.44Å; S703-L705 PolarHBondContact OG-N 3.26Å; L705-L709 PolarHBondContact O-N 3.18Å; L705-H730 PolarHBondContact O-CE1 3.36Å; L705-P731 HydrophobicContact CD1-CB 4.24Å; L705-P731 HydrophobicContact CD2-CB 4.2Å; L705-W732 HydrophobicContact CB-CB 4.01Å; L705-W732 HydrophobicContact CB-CG 4.32Å
706	A	92.3	Very high	82.6	Confident	0 Å²	0	53 Å²	53	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-67.7	-42.2	171.3	0	0	0	0	0	111.6	E567 M662 L666 I702 S703 L709 L710 W732	E567-A706 WeakPolarHBondContact OE1-CB 3.49Å; M662-A706 HydrophobicContact CE-CB 4.12Å; L666-A706 HydrophobicContact CD1-CB 4.08Å; I702-A706 HydrophobicContact CG2-CB 3.47Å; I702-A706 VanDerWaalsContact CG2-CB 3.47Å; S703-A706 PolarHBondContact O-N 3.07Å; S703-A706 PolarHBondContact OG-N 3.12Å; A706-L709 PolarHBondContact O-N 2.97Å; A706-L710 WeakPolarHBondContact O-CG 3.38Å; A706-L710 PolarHBondContact O-N 3.48Å; A706-W732 HydrophobicContact CB-CD2 4.35Å; A706-W732 HydrophobicContact CB-CG 4.46Å; A706-W732 HydrophobicContact CB-CZ2 4.13Å
707	K	90.2	Very high	83.2	Confident	29 Å²	29	55.3 Å²	55.3	13%	0.126	28%	0.281	C	S	.	.	H	α-helix	trans	-63.2	-44.2	179.6	-60.3	173.2	-167.9	149.7	0	112	W699 I702 S703 D704 L710 T711	W699-K707 HydrophobicContact CH2-CB 4.21Å; W699-K707 HydrophobicContact CH2-CG 3.89Å; W699-K707 HydrophobicContact CZ2-CB 3.69Å; W699-K707 HydrophobicContact CZ2-CD 3.65Å; W699-K707 HydrophobicContact CZ2-CG 3.35Å; W699-K707 WeakPolarHBondContact O-CE 3.35Å; W699-K707 PolarHBondContact O-NZ 3.47Å; I702-K707 WeakPolarHBondContact O-CE 3.47Å; I702-K707 PolarHBondContact O-NZ 2.89Å; S703-K707 WeakPolarHBondContact O-CG 3.36Å; S703-K707 PolarHBondContact O-N 3.23Å; D704-K707 PolarHBondContact O-N 3.34Å; D704-K707 WeakPolarHBondContact OD1-CD 3.19Å; D704-K707 IonicContact OD1-NZ 3.79Å; D704-K707 PolarHBondContact OD1-NZ 2.96Å; K707-L710 PolarHBondContact O-N 3.34Å; K707-T711 WeakPolarHBondContact O-CB 3.38Å; K707-T711 PolarHBondContact O-N 3.23Å; K707-T711 PolarHBondContact O-OG1 3Å
708	D	93.5	Very high	83.9	Confident	65 Å²	65	47 Å²	47	35%	0.348	25%	0.246	S	C	.	.	H	α-helix	trans	-61.2	-44.7	175.8	177.7	34.5	0	0	0	111.4	D704 T711 K712 H730	D704-D708 VanDerWaalsContact O-CB 3.31Å; D704-D708 WeakPolarHBondContact O-CB 3.26Å; D704-D708 PolarHBondContact O-N 2.91Å; D708-T711 PolarHBondContact O-N 2.96Å; D708-K712 WeakPolarHBondContact O-CG 3.4Å; D708-K712 PolarHBondContact O-N 3.14Å; D708-K712 VanDerWaalsContact O-N 3.12Å; D708-K712 WeakPolarHBondContact OD1-CE 3.42Å; D708-K712 IonicContact OD1-NZ 2.65Å; D708-K712 PolarHBondContact OD1-NZ 2.96Å; D708-K712 IonicContact OD2-NZ 3.2Å; D708-K712 PolarHBondContact OD2-NZ 2.82Å; D708-H730 IonicContact OD2-CE1 3.41Å; D708-H730 PolarHBondContact OD2-CE1 2.96Å; D708-H730 IonicContact OD2-NE2 3.16Å; D708-H730 PolarHBondContact OD2-NE2 2.87Å; D708-H730 VanDerWaalsContact OD2-NE2 3.16Å
709	L	95.1	Very high	84.3	Confident	1 Å²	1	50.6 Å²	50.6	1%	0.005	27%	0.273	C	S	.	.	H	α-helix	trans	-63.1	-47.8	175.6	-176	54.8	0	0	0	112.6	M662 L705 A706 T711 K712 M713 I727 H730 W732 I733	M662-L709 HydrophobicContact CE-CB 4.27Å; M662-L709 HydrophobicContact CE-CD2 4.06Å; M662-L709 HydrophobicContact CE-CG 4.31Å; M662-L709 HydrophobicContact SD-CD2 4.03Å; M662-L709 HydrophobicContact SD-CG 4.2Å; L705-L709 PolarHBondContact O-N 3.18Å; A706-L709 PolarHBondContact O-N 2.97Å; L709-T711 VanDerWaalsContact C-N 3.26Å; L709-T711 PolarHBondContact O-N 3.13Å; L709-K712 PolarHBondContact O-N 2.93Å; L709-K712 VanDerWaalsContact O-N 3.1Å; L709-M713 HydrophobicContact CD1-CG 4.08Å; L709-M713 HydrophobicContact CD1-SD 3.75Å; L709-M713 HydrophobicContact CD2-SD 4.23Å; L709-M713 HydrophobicContact CG-CG 4.4Å; L709-M713 HydrophobicContact CG-SD 3.61Å; L709-M713 WeakPolarHBondContact O-CG 3.38Å; L709-M713 PolarHBondContact O-N 3.48Å; L709-I727 HydrophobicContact CD1-CG1 4.2Å; L709-I727 HydrophobicContact CD1-CG2 4.32Å; L709-I727 HydrophobicContact CD2-CG2 4.34Å; L709-H730 HydrophobicContact CD1-CB 4.06Å; L709-W732 HydrophobicContact CD2-CB 4.4Å; L709-W732 HydrophobicContact CD2-CD2 4.35Å; L709-W732 HydrophobicContact CD2-CE3 3.55Å; L709-W732 HydrophobicContact CD2-CZ3 4.22Å; L709-I733 HydrophobicContact CD2-CD1 4.25Å; L709-I733 HydrophobicContact CD2-CG1 3.85Å
710	L	91.4	Very high	84.8	Confident	1 Å²	1	56 Å²	56	1%	0.005	30%	0.298	C	S	.	.	H	α-helix	trans	-56.5	-41.1	176	-78.3	171.8	0	0	0	111.9	M662 Y663 L666 F667 A706 K707 K712 M713 L714	M662-L710 HydrophobicContact CB-CD2 3.98Å; M662-L710 HydrophobicContact CE-CD1 4.41Å; M662-L710 HydrophobicContact CE-CD2 4.11Å; M662-L710 HydrophobicContact CE-CG 3.76Å; M662-L710 HydrophobicContact CG-CD2 3.81Å; M662-L710 HydrophobicContact CG-CG 4.45Å; M662-L710 HydrophobicContact SD-CD2 3.7Å; M662-L710 HydrophobicContact SD-CG 4Å; Y663-L710 HydrophobicContact CD2-CD1 4.25Å; L666-L710 HydrophobicContact CD1-CD1 4.16Å; F667-L710 HydrophobicContact CE2-CD1 3.86Å; A706-L710 WeakPolarHBondContact O-CG 3.38Å; A706-L710 PolarHBondContact O-N 3.48Å; K707-L710 PolarHBondContact O-N 3.34Å; L710-K712 VanDerWaalsContact C-N 3.32Å; L710-K712 PolarHBondContact O-N 2.8Å; L710-M713 PolarHBondContact O-N 3.44Å; L710-L714 HydrophobicContact CD2-CD1 4.45Å; L710-L714 WeakPolarHBondContact O-CB 3.49Å; L710-L714 PolarHBondContact O-N 3.14Å
711	T	89.3	Confident	85.5	Confident	74 Å²	74	50.4 Å²	50.4	45%	0.454	27%	0.266	S	S	.	.	H	α-helix	trans	-64.6	-36.3	178.7	-54.7	0	0	0	0	111.8	K707 D708 L709 N715	K707-T711 WeakPolarHBondContact O-CB 3.38Å; K707-T711 PolarHBondContact O-N 3.23Å; K707-T711 PolarHBondContact O-OG1 3Å; D708-T711 PolarHBondContact O-N 2.96Å; L709-T711 VanDerWaalsContact C-N 3.26Å; L709-T711 PolarHBondContact O-N 3.13Å; T711-N715 PolarHBondContact O-N 3.16Å
712	K	92.1	Very high	86.2	Confident	74 Å²	74	47.2 Å²	47.2	32%	0.322	25%	0.254	S	S	.	.	H	α-helix	trans	-72.4	-33.8	175.4	-70.6	160.7	176.3	158.5	0	113	D708 L709 L710 R721 C722 H730	D708-K712 WeakPolarHBondContact O-CG 3.4Å; D708-K712 PolarHBondContact O-N 3.14Å; D708-K712 VanDerWaalsContact O-N 3.12Å; D708-K712 WeakPolarHBondContact OD1-CE 3.42Å; D708-K712 IonicContact OD1-NZ 2.65Å; D708-K712 PolarHBondContact OD1-NZ 2.96Å; D708-K712 IonicContact OD2-NZ 3.2Å; D708-K712 PolarHBondContact OD2-NZ 2.82Å; L709-K712 PolarHBondContact O-N 2.93Å; L709-K712 VanDerWaalsContact O-N 3.1Å; L710-K712 VanDerWaalsContact C-N 3.32Å; L710-K712 PolarHBondContact O-N 2.8Å; K712-R721 WeakPolarHBondContact O-CA 3.29Å; K712-R721 WeakPolarHBondContact O-CG 3.42Å; K712-C722 HydrophobicContact CB-CB 4.13Å; K712-C722 PolarHBondContact O-N 3.24Å; K712-C722 VanDerWaalsContact O-N 3.12Å; K712-H730 PolarHBondContact NZ-NE2 3.06Å
713	M	90.5	Very high	86.7	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-81.6	-36.8	-179.7	-67.4	172.2	67.3	0	0	112.9	V655 L658 M662 L709 L710 N715 R721 C722 I727	V655-M713 HydrophobicContact CG1-CB 4.12Å; V655-M713 HydrophobicContact CG1-CG 4.01Å; L658-M713 HydrophobicContact CB-CE 3.89Å; L658-M713 HydrophobicContact CD2-CE 4.06Å; L658-M713 HydrophobicContact CG-CE 3.65Å; M662-M713 HydrophobicContact SD-SD 4.02Å; L709-M713 HydrophobicContact CD1-CG 4.08Å; L709-M713 HydrophobicContact CD1-SD 3.75Å; L709-M713 HydrophobicContact CD2-SD 4.23Å; L709-M713 HydrophobicContact CG-CG 4.4Å; L709-M713 HydrophobicContact CG-SD 3.61Å; L709-M713 WeakPolarHBondContact O-CG 3.38Å; L709-M713 PolarHBondContact O-N 3.48Å; L710-M713 PolarHBondContact O-N 3.44Å; M713-N715 VanDerWaalsContact C-N 3.35Å; M713-R721 WeakPolarHBondContact O-CD 3.47Å; M713-R721 VanDerWaalsContact O-CG 3.26Å; M713-R721 WeakPolarHBondContact O-CG 3.48Å; M713-C722 WeakPolarHBondContact CG-SG 3.47Å; M713-I727 HydrophobicContact CE-CD1 3.69Å; M713-I727 HydrophobicContact CG-CD1 3.97Å; M713-I727 HydrophobicContact CG-CG1 4.13Å; M713-I727 HydrophobicContact SD-CD1 3.87Å; M713-I727 HydrophobicContact SD-CG1 4.09Å
714	L	86.1	Confident	86.9	Confident	6 Å²	6	49.3 Å²	49.3	3%	0.031	27%	0.266	C	S	.	.	S	Bend	trans	-98.5	28.1	179.3	-61.9	176.9	0	0	0	112.4	W656 V660 P671 L692 L710 P716	W656-L714 HydrophobicContact CD2-CD2 3.86Å; W656-L714 HydrophobicContact CE3-CB 4.44Å; W656-L714 HydrophobicContact CE3-CD2 4.11Å; W656-L714 HydrophobicContact CG-CD2 4.22Å; W656-L714 HydrophobicContact CZ2-CD2 4.47Å; W656-L714 VanDerWaalsContact CZ3-C 3.4Å; W656-L714 HydrophobicContact CZ3-CB 4.31Å; W656-L714 WeakPolarHBondContact CZ3-O 3.42Å; W656-L714 WeakPolarHBondContact O-CD2 3.33Å; V660-L714 HydrophobicContact CG2-CD2 3.92Å; P671-L714 HydrophobicContact CB-CD1 4.46Å; P671-L714 HydrophobicContact CG-CD1 4.31Å; L692-L714 HydrophobicContact CD1-CB 4.3Å; L692-L714 HydrophobicContact CD1-CD1 4.43Å; L692-L714 HydrophobicContact CD2-CB 4.3Å; L692-L714 HydrophobicContact CD2-CD1 3.76Å; L710-L714 HydrophobicContact CD2-CD1 4.45Å; L710-L714 WeakPolarHBondContact O-CB 3.49Å; L710-L714 PolarHBondContact O-N 3.14Å; L714-P716 WeakPolarHBondContact O-CD 3.28Å
715	N	82.5	Confident	87.1	Confident	44 Å²	44	47 Å²	47	24%	0.235	26%	0.26	C	S	.	.			trans	-66.8	122.1	171.9	-166.2	-37.5	0	0	0	109.5	W656 T711 M713 E717 K720 R721	W656-N715 WeakPolarHBondContact CZ3-O 3.41Å; T711-N715 PolarHBondContact O-N 3.16Å; M713-N715 VanDerWaalsContact C-N 3.35Å; N715-E717 PolarHBondContact O-N 2.99Å; N715-E717 PolarHBondContact OD1-N 3.49Å; N715-E717 VanDerWaalsContact OD1-N 3.16Å; N715-K720 VanDerWaalsContact ND2-CB 3.34Å; N715-K720 WeakPolarHBondContact ND2-CB 3.42Å; N715-K720 PolarHBondContact ND2-O 3.17Å; N715-R721 HydrophobicContact CB-CB 4.43Å; N715-R721 VanDerWaalsContact O-CZ 3.32Å; N715-R721 PolarHBondContact O-NE 2.6Å; N715-R721 PolarHBondContact O-NH2 2.88Å
716	P	71.2	Confident	87.2	Confident	62 Å²	62	45.3 Å²	45.3	40%	0.403	26%	0.256	S	S	.	.	S	Bend	trans	-57.9	-33.8	-178.6	-26.7	35.6	0	0	0	113.2	L714 P718 R721	L714-P716 WeakPolarHBondContact O-CD 3.28Å; P716-P718 VanDerWaalsContact O-CD 3.26Å; P716-P718 WeakPolarHBondContact O-CD 3.26Å; P716-R721 PolarHBondContact O-NH2 3.2Å
717	E	70.4	Confident	87.4	Confident	82 Å²	82	45.3 Å²	45.3	38%	0.383	26%	0.256	S	S	.	.	S	Bend	trans	-82.3	109.9	177.8	173.9	50	-116.5	0	0	110.4	N715 S719 K720 R721	N715-E717 PolarHBondContact O-N 2.99Å; N715-E717 PolarHBondContact OD1-N 3.49Å; N715-E717 VanDerWaalsContact OD1-N 3.16Å; E717-S719 VanDerWaalsContact C-N 3.25Å; E717-S719 VanDerWaalsContact CD-OG 3.23Å; E717-S719 WeakPolarHBondContact CG-OG 3.46Å; E717-S719 PolarHBondContact O-N 2.85Å; E717-S719 WeakPolarHBondContact OE1-CB 3.46Å; E717-S719 PolarHBondContact OE1-N 2.58Å; E717-S719 PolarHBondContact OE1-OG 3.08Å; E717-K720 HydrophobicContact CB-CB 4.23Å; E717-K720 HydrophobicContact CB-CD 4.07Å; E717-K720 HydrophobicContact CB-CG 4.28Å; E717-K720 HydrophobicContact CG-CB 4.03Å; E717-K720 HydrophobicContact CG-CD 3.76Å; E717-K720 HydrophobicContact CG-CG 3.69Å; E717-K720 PolarHBondContact O-N 3.41Å; E717-R721 PolarHBondContact O-N 2.91Å
718	P	74.4	Confident	87.8	Confident	19 Å²	19	45.8 Å²	45.8	12%	0.123	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-62.5	-30.4	-174.6	-24.1	37.4	0	0	0	113.3	Y649 A652 P716 K720 R721	Y649-P718 HydrophobicContact CD2-CB 3.86Å; Y649-P718 HydrophobicContact CD2-CG 3.81Å; Y649-P718 HydrophobicContact CE2-CB 4.18Å; Y649-P718 HydrophobicContact CE2-CG 3.6Å; Y649-P718 HydrophobicContact CG-CB 4.39Å; A652-P718 HydrophobicContact CB-CB 3.94Å; P716-P718 VanDerWaalsContact O-CD 3.26Å; P716-P718 WeakPolarHBondContact O-CD 3.26Å; P718-K720 PolarHBondContact O-N 3.4Å; P718-R721 WeakPolarHBondContact O-CB 3.29Å; P718-R721 PolarHBondContact O-N 3.07Å
719	S	73.4	Confident	87.9	Confident	99 Å²	99	46.5 Å²	46.5	69%	0.692	27%	0.269	S	S	*	.	G	3₁₀ helix	trans	-70.8	-16.3	176.6	65.2	0	0	0	0	114.3	E717	E717-S719 VanDerWaalsContact C-N 3.25Å; E717-S719 VanDerWaalsContact CD-OG 3.23Å; E717-S719 WeakPolarHBondContact CG-OG 3.46Å; E717-S719 PolarHBondContact O-N 2.85Å; E717-S719 WeakPolarHBondContact OE1-CB 3.46Å; E717-S719 PolarHBondContact OE1-N 2.58Å; E717-S719 PolarHBondContact OE1-OG 3.08Å
720	K	81.7	Confident	88	Confident	150 Å²	150	47 Å²	47	65%	0.652	27%	0.271	S	S	*	.	G	3₁₀ helix	trans	-102.8	-2.2	175.6	-65.6	176.8	-175.1	171	0	113	N715 E717 P718	N715-K720 VanDerWaalsContact ND2-CB 3.34Å; N715-K720 WeakPolarHBondContact ND2-CB 3.42Å; N715-K720 PolarHBondContact ND2-O 3.17Å; E717-K720 HydrophobicContact CB-CB 4.23Å; E717-K720 HydrophobicContact CB-CD 4.07Å; E717-K720 HydrophobicContact CB-CG 4.28Å; E717-K720 HydrophobicContact CG-CB 4.03Å; E717-K720 HydrophobicContact CG-CD 3.76Å; E717-K720 HydrophobicContact CG-CG 3.69Å; E717-K720 PolarHBondContact O-N 3.41Å; P718-K720 PolarHBondContact O-N 3.4Å
721	R	87.2	Confident	88.3	Confident	31 Å²	31	49.7 Å²	49.7	12%	0.117	29%	0.289	C	S	.	.	S	Bend	trans	-74.9	142.8	178.2	-159.6	172.5	-62.7	148.3	5.1	109.6	A652 V655 K712 M713 N715 P716 E717 P718	A652-R721 HydrophobicContact CB-CB 4.32Å; A652-R721 VanDerWaalsContact O-CD 3.23Å; A652-R721 WeakPolarHBondContact O-CD 3.4Å; A652-R721 PolarHBondContact O-NH1 3.42Å; V655-R721 HydrophobicContact CG1-CG 4.01Å; K712-R721 WeakPolarHBondContact O-CA 3.29Å; K712-R721 WeakPolarHBondContact O-CG 3.42Å; M713-R721 WeakPolarHBondContact O-CD 3.47Å; M713-R721 VanDerWaalsContact O-CG 3.26Å; M713-R721 WeakPolarHBondContact O-CG 3.48Å; N715-R721 HydrophobicContact CB-CB 4.43Å; N715-R721 VanDerWaalsContact O-CZ 3.32Å; N715-R721 PolarHBondContact O-NE 2.6Å; N715-R721 PolarHBondContact O-NH2 2.88Å; P716-R721 PolarHBondContact O-NH2 3.2Å; E717-R721 PolarHBondContact O-N 2.91Å; P718-R721 WeakPolarHBondContact O-CB 3.29Å; P718-R721 PolarHBondContact O-N 3.07Å
722	C	91.8	Very high	88.6	Confident	22 Å²	22	46.1 Å²	46.1	15%	0.149	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-65.9	154	174.9	59.1	0	0	0	0	111.4	V655 K712 M713 A726	V655-C722 WeakPolarHBondContact CG1-O 3.25Å; K712-C722 HydrophobicContact CB-CB 4.13Å; K712-C722 PolarHBondContact O-N 3.24Å; K712-C722 VanDerWaalsContact O-N 3.12Å; M713-C722 WeakPolarHBondContact CG-SG 3.47Å; C722-A726 HydrophobicContact CB-CB 4.09Å
723	T	93.6	Very high	88.8	Confident	86 Å²	86	42.7 Å²	42.7	53%	0.528	25%	0.252	S	S	.	.	P	Polyproline II helix	trans	-84.4	164.5	172.2	63.4	0	0	0	0	111.2	S725 A726 I727	T723-S725 VanDerWaalsContact C-N 3.26Å; T723-S725 PolarHBondContact O-N 3.26Å; T723-A726 WeakPolarHBondContact O-CB 3.48Å; T723-A726 PolarHBondContact O-N 3.04Å; T723-A726 WeakPolarHBondContact OG1-CB 3.22Å; T723-A726 PolarHBondContact OG1-N 3.05Å; T723-I727 PolarHBondContact O-N 3.26Å; T723-I727 VanDerWaalsContact O-N 3.07Å
724	A	94.1	Very high	89	Confident	1 Å²	1	49.5 Å²	49.5	1%	0.008	28%	0.282	C	S	.	.	H	α-helix	trans	-55.7	-40.4	173.7	0	0	0	0	0	112.7	L581 V655 I727 L728	L581-A724 HydrophobicContact CB-CB 3.8Å; V655-A724 HydrophobicContact CG2-CB 4.48Å; A724-I727 WeakPolarHBondContact O-CB 3.36Å; A724-I727 PolarHBondContact O-N 3.45Å; A724-L728 PolarHBondContact O-N 2.89Å
725	S	94.6	Very high	89.4	Confident	71 Å²	71	52.3 Å²	52.3	50%	0.497	30%	0.297	S	S	.	.	H	α-helix	trans	-63.4	-39.3	173.7	179.7	0	0	0	0	112.9	T723 I727 L728 S729	T723-S725 VanDerWaalsContact C-N 3.26Å; T723-S725 PolarHBondContact O-N 3.26Å; S725-I727 VanDerWaalsContact C-N 3.3Å; S725-I727 PolarHBondContact O-N 3.16Å; S725-L728 WeakPolarHBondContact O-CB 3.4Å; S725-L728 PolarHBondContact O-N 2.87Å; S725-S729 PolarHBondContact O-N 3.14Å
726	A	95.9	Very high	89.9	Confident	35 Å²	35	52.6 Å²	52.6	29%	0.289	30%	0.295	S	S	.	.	H	α-helix	trans	-68.3	-26.7	176.3	0	0	0	0	0	113.4	C722 T723 S729 H730	C722-A726 HydrophobicContact CB-CB 4.09Å; T723-A726 WeakPolarHBondContact O-CB 3.48Å; T723-A726 PolarHBondContact O-N 3.04Å; T723-A726 WeakPolarHBondContact OG1-CB 3.22Å; T723-A726 PolarHBondContact OG1-N 3.05Å; A726-S729 PolarHBondContact O-OG 3.33Å; A726-H730 PolarHBondContact O-N 2.73Å
727	I	97.2	Very high	90.9	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-65.2	-43.8	171.6	-64.6	166.3	0	0	0	110.2	T574 A578 V655 L658 L709 M713 T723 A724 S725 S729 H730 I733	T574-I727 HydrophobicContact CG2-CG2 4.48Å; A578-I727 HydrophobicContact CB-CB 4.13Å; A578-I727 HydrophobicContact CB-CG2 3.69Å; V655-I727 HydrophobicContact CG1-CD1 3.91Å; V655-I727 HydrophobicContact CG2-CD1 4.32Å; L658-I727 HydrophobicContact CD2-CD1 4.38Å; L709-I727 HydrophobicContact CD1-CG1 4.2Å; L709-I727 HydrophobicContact CD1-CG2 4.32Å; L709-I727 HydrophobicContact CD2-CG2 4.34Å; M713-I727 HydrophobicContact CE-CD1 3.69Å; M713-I727 HydrophobicContact CG-CD1 3.97Å; M713-I727 HydrophobicContact CG-CG1 4.13Å; M713-I727 HydrophobicContact SD-CD1 3.87Å; M713-I727 HydrophobicContact SD-CG1 4.09Å; T723-I727 PolarHBondContact O-N 3.26Å; T723-I727 VanDerWaalsContact O-N 3.07Å; A724-I727 WeakPolarHBondContact O-CB 3.36Å; A724-I727 PolarHBondContact O-N 3.45Å; S725-I727 VanDerWaalsContact C-N 3.3Å; S725-I727 PolarHBondContact O-N 3.16Å; I727-S729 PolarHBondContact O-N 2.85Å; I727-H730 WeakPolarHBondContact O-CB 3.22Å; I727-H730 PolarHBondContact O-N 2.85Å; I727-I733 HydrophobicContact CG2-CD1 4.39Å; I727-I733 HydrophobicContact CG2-CG1 3.96Å; I727-I733 WeakPolarHBondContact O-CB 3.25Å; I727-I733 WeakPolarHBondContact O-CG1 3.36Å
728	L	97.1	Very high	91.9	Very high	38 Å²	38	57.9 Å²	57.9	20%	0.199	32%	0.318	C	S	.	.	H	α-helix	trans	-63.2	-29.6	179.8	-61	171.7	0	0	0	113.2	Y575 A578 N579 A724 S725	Y575-L728 HydrophobicContact CD2-CD2 3.66Å; Y575-L728 HydrophobicContact CE2-CD2 3.86Å; A578-L728 HydrophobicContact CB-CD2 3.93Å; A578-L728 HydrophobicContact CB-CG 4.38Å; N579-L728 HydrophobicContact CB-CD1 4.45Å; N579-L728 HydrophobicContact CB-CD2 4.02Å; A724-L728 PolarHBondContact O-N 2.89Å; S725-L728 WeakPolarHBondContact O-CB 3.4Å; S725-L728 PolarHBondContact O-N 2.87Å
729	S	96.5	Very high	92.6	Very high	80 Å²	80	57.9 Å²	57.9	56%	0.559	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.9	-8.5	175.6	68.7	0	0	0	0	114	S725 A726 I727	S725-S729 PolarHBondContact O-N 3.14Å; A726-S729 PolarHBondContact O-OG 3.33Å; I727-S729 PolarHBondContact O-N 2.85Å
730	H	97.8	Very high	93.2	Very high	11 Å²	11	55.5 Å²	55.5	5%	0.051	30%	0.299	C	S	.	.	S	Bend	trans	-66.2	138.4	-176.4	-157	-101.3	0	0	0	112	L705 D708 L709 K712 A726 I727 W732 I733 K734	L705-H730 PolarHBondContact O-CE1 3.36Å; D708-H730 IonicContact OD2-CE1 3.41Å; D708-H730 PolarHBondContact OD2-CE1 2.96Å; D708-H730 IonicContact OD2-NE2 3.16Å; D708-H730 PolarHBondContact OD2-NE2 2.87Å; D708-H730 VanDerWaalsContact OD2-NE2 3.16Å; L709-H730 HydrophobicContact CD1-CB 4.06Å; K712-H730 PolarHBondContact NZ-NE2 3.06Å; A726-H730 PolarHBondContact O-N 2.73Å; I727-H730 WeakPolarHBondContact O-CB 3.22Å; I727-H730 PolarHBondContact O-N 2.85Å; H730-W732 PolarHBondContact O-N 3.45Å; H730-W732 VanDerWaalsContact O-N 3.1Å; H730-I733 PolarHBondContact O-N 3.21Å; H730-K734 WeakPolarHBondContact O-CB 3.1Å; H730-K734 PolarHBondContact O-N 3.35Å
731	P	96.9	Very high	93.3	Very high	58 Å²	58	52.3 Å²	52.3	38%	0.377	29%	0.294	S	S	.	.	H	α-helix	trans	-54	-35.8	-178.5	-28.9	35.8	0	0	0	114.4	L705 N735	L705-P731 HydrophobicContact CD1-CB 4.24Å; L705-P731 HydrophobicContact CD2-CB 4.2Å; P731-N735 VanDerWaalsContact O-CB 3.27Å; P731-N735 WeakPolarHBondContact O-CB 3.42Å; P731-N735 PolarHBondContact O-N 3.21Å
732	W	96	Very high	92.9	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-58.5	-47.2	175.9	-165.9	69.5	0	0	0	112.8	E567 A570 S571 T574 M662 L666 L705 A706 L709 H730 R736 L739	E567-W732 HydrophobicContact CG-CZ2 3.71Å; E567-W732 PolarHBondContact OE1-NE1 2.93Å; A570-W732 HydrophobicContact CB-CH2 4.26Å; S571-W732 VanDerWaalsContact CA-CZ3 3.45Å; S571-W732 PolarHBondContact OG-O 3.39Å; T574-W732 HydrophobicContact CG2-CZ3 4.31Å; M662-W732 HydrophobicContact CE-CD2 4.23Å; M662-W732 HydrophobicContact CE-CE3 3.78Å; M662-W732 HydrophobicContact CE-CH2 3.6Å; M662-W732 HydrophobicContact CE-CZ2 4.07Å; M662-W732 HydrophobicContact CE-CZ3 3.44Å; M662-W732 VanDerWaalsContact CE-CZ3 3.44Å; M662-W732 HydrophobicContact CG-CH2 4.42Å; M662-W732 HydrophobicContact CG-CZ3 4.43Å; M662-W732 HydrophobicContact SD-CH2 4.41Å; M662-W732 HydrophobicContact SD-CZ3 3.97Å; L666-W732 HydrophobicContact CD1-CH2 4.42Å; L666-W732 HydrophobicContact CD1-CZ2 4.34Å; L666-W732 HydrophobicContact CD2-CZ2 4.24Å; L705-W732 HydrophobicContact CB-CB 4.01Å; L705-W732 HydrophobicContact CB-CG 4.32Å; A706-W732 HydrophobicContact CB-CD2 4.35Å; A706-W732 HydrophobicContact CB-CG 4.46Å; A706-W732 HydrophobicContact CB-CZ2 4.13Å; L709-W732 HydrophobicContact CD2-CB 4.4Å; L709-W732 HydrophobicContact CD2-CD2 4.35Å; L709-W732 HydrophobicContact CD2-CE3 3.55Å; L709-W732 HydrophobicContact CD2-CZ3 4.22Å; H730-W732 PolarHBondContact O-N 3.45Å; H730-W732 VanDerWaalsContact O-N 3.1Å; W732-R736 PolarHBondContact O-N 3.33Å; W732-L739 HydrophobicContact CD2-CD1 4.27Å; W732-L739 HydrophobicContact CG-CD1 4.34Å; W732-L739 HydrophobicContact CZ2-CD1 4.32Å
733	I	96.7	Very high	92.1	Very high	1 Å²	1	61.1 Å²	61.1	1%	0.005	34%	0.337	C	S	.	.	H	α-helix	trans	-77.5	-39.3	-179.4	-63.8	-67.5	0	0	0	111.6	T574 Y575 L709 I727 H730 R736	T574-I733 HydrophobicContact CG2-CD1 3.83Å; Y575-I733 HydrophobicContact CD2-CG2 3.61Å; Y575-I733 HydrophobicContact CG-CG2 4.3Å; L709-I733 HydrophobicContact CD2-CD1 4.25Å; L709-I733 HydrophobicContact CD2-CG1 3.85Å; I727-I733 HydrophobicContact CG2-CD1 4.39Å; I727-I733 HydrophobicContact CG2-CG1 3.96Å; I727-I733 WeakPolarHBondContact O-CB 3.25Å; I727-I733 WeakPolarHBondContact O-CG1 3.36Å; H730-I733 PolarHBondContact O-N 3.21Å; I733-R736 WeakPolarHBondContact O-CB 3.29Å; I733-R736 VanDerWaalsContact O-CD 3.3Å; I733-R736 WeakPolarHBondContact O-CD 3.07Å; I733-R736 WeakPolarHBondContact O-CG 3.38Å; I733-R736 PolarHBondContact O-NH1 2.91Å
734	K	95	Very high	91	Very high	144 Å²	144	58.5 Å²	58.5	63%	0.626	32%	0.32	S	S	*	.	H	α-helix	trans	-68.1	-37.3	-178.2	-172.6	176.7	179.3	-180	0	112.2	H730	H730-K734 WeakPolarHBondContact O-CB 3.1Å; H730-K734 PolarHBondContact O-N 3.35Å
735	N	94.2	Very high	89.2	Confident	65 Å²	65	61.7 Å²	61.7	35%	0.348	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.7	22.6	-178.4	-55.2	-17.1	0	0	0	112.2	P731 D737 Q738	P731-N735 VanDerWaalsContact O-CB 3.27Å; P731-N735 WeakPolarHBondContact O-CB 3.42Å; P731-N735 PolarHBondContact O-N 3.21Å; N735-D737 PolarHBondContact O-N 3.31Å; N735-D737 VanDerWaalsContact O-N 3.09Å; N735-Q738 WeakPolarHBondContact O-CA 3.02Å; N735-Q738 VanDerWaalsContact O-CB 3.3Å; N735-Q738 WeakPolarHBondContact O-CB 3.47Å; N735-Q738 PolarHBondContact O-N 3.07Å
736	R	92.8	Very high	87.2	Confident	49 Å²	49	65 Å²	65	19%	0.185	35%	0.351	C	S	.	.	G	3₁₀ helix	trans	-54.1	-32.7	-172.4	66.7	-166.7	179.2	-80.3	-9.3	114.8	S571 N572 W732 I733 Q738 L739	S571-R736 WeakPolarHBondContact OG-CB 3.32Å; N572-R736 WeakPolarHBondContact OD1-CD 3.08Å; N572-R736 PolarHBondContact OD1-NE 2.95Å; W732-R736 PolarHBondContact O-N 3.33Å; I733-R736 WeakPolarHBondContact O-CB 3.29Å; I733-R736 VanDerWaalsContact O-CD 3.3Å; I733-R736 WeakPolarHBondContact O-CD 3.07Å; I733-R736 WeakPolarHBondContact O-CG 3.38Å; I733-R736 PolarHBondContact O-NH1 2.91Å; R736-Q738 PolarHBondContact O-N 2.95Å; R736-Q738 VanDerWaalsContact O-N 3.16Å; R736-L739 HydrophobicContact CB-CD1 4.21Å; R736-L739 WeakPolarHBondContact O-CB 3.43Å; R736-L739 PolarHBondContact O-N 3.04Å; R736-L739 VanDerWaalsContact O-N 3.09Å
737	D	90.9	Very high	85	Confident	101 Å²	101	66.8 Å²	66.8	54%	0.54	36%	0.358	S	S	.	.	G	3₁₀ helix	trans	-67.2	-12.6	176.8	-53.5	-51.8	0	0	0	113.7	R568 N735	R568-D737 PolarHBondContact NH1-O 3.38Å; R568-D737 PolarHBondContact NH2-O 3.27Å; N735-D737 PolarHBondContact O-N 3.31Å; N735-D737 VanDerWaalsContact O-N 3.09Å
738	Q	91.7	Very high	82.6	Confident	155 Å²	155	74.7 Å²	74.7	72%	0.724	40%	0.4	S	S	*	.	G	3₁₀ helix	trans	-99.1	-10.7	176.2	-54.8	175.3	4.1	0	0	112.7	N735 R736	N735-Q738 WeakPolarHBondContact O-CA 3.02Å; N735-Q738 VanDerWaalsContact O-CB 3.3Å; N735-Q738 WeakPolarHBondContact O-CB 3.47Å; N735-Q738 PolarHBondContact O-N 3.07Å; R736-Q738 PolarHBondContact O-N 2.95Å; R736-Q738 VanDerWaalsContact O-N 3.16Å
739	L	90.1	Very high	80.4	Confident	19 Å²	19	75.2 Å²	75.2	10%	0.099	40%	0.403	C	S	.	.	S	Bend	trans	-67.1	154.9	177.2	-64.3	172.9	0	0	0	111.2	E567 R568 S571 W732 R736	E567-L739 HydrophobicContact CG-CD1 4.46Å; R568-L739 HydrophobicContact CB-CB 4.09Å; R568-L739 VanDerWaalsContact CZ-O 3.27Å; R568-L739 PolarHBondContact NE-O 3.18Å; R568-L739 PolarHBondContact NH2-O 2.83Å; S571-L739 VanDerWaalsContact CB-CD1 3.41Å; W732-L739 HydrophobicContact CD2-CD1 4.27Å; W732-L739 HydrophobicContact CG-CD1 4.34Å; W732-L739 HydrophobicContact CZ2-CD1 4.32Å; R736-L739 HydrophobicContact CB-CD1 4.21Å; R736-L739 WeakPolarHBondContact O-CB 3.43Å; R736-L739 PolarHBondContact O-N 3.04Å; R736-L739 VanDerWaalsContact O-N 3.09Å
740	S	84.9	Confident	78.3	Confident	48 Å²	48	76 Å²	76	34%	0.336	40%	0.401	S	S	.	.			trans	-59.7	130.1	180	-170.3	0	0	0	0	111.1	R568 E742	R568-S740 WeakPolarHBondContact CB-O 3.34Å; R568-S740 PolarHBondContact N-O 2.77Å; S740-E742 WeakPolarHBondContact OG-CB 3.42Å; S740-E742 WeakPolarHBondContact OG-CG 3.46Å; S740-E742 PolarHBondContact OG-N 2.76Å; S740-E742 VanDerWaalsContact OG-N 3.15Å
741	P	83.5	Confident	76.6	Confident	84 Å²	84	79.9 Å²	79.9	55%	0.545	42%	0.421	S	S	.	.			trans	-82.3	0.7	168.2	36.8	-35.3	0	0	0	112.2	S566	S566-P741 VanDerWaalsContact CB-C 3.48Å; S566-P741 WeakPolarHBondContact CB-O 3.45Å
742	E	80.5	Confident	75.1	Confident	147 Å²	147	79.8 Å²	79.8	69%	0.687	42%	0.42	S	S	*	.	S	Bend	trans	-68.3	136.2	176.3	-63.3	175.6	168.3	0	0	110.7	S566 S740	S566-E742 WeakPolarHBondContact CA-O 3.46Å; S566-E742 VanDerWaalsContact CB-O 3.24Å; S566-E742 WeakPolarHBondContact CB-O 3.38Å; S740-E742 WeakPolarHBondContact OG-CB 3.42Å; S740-E742 WeakPolarHBondContact OG-CG 3.46Å; S740-E742 PolarHBondContact OG-N 2.76Å; S740-E742 VanDerWaalsContact OG-N 3.15Å
743	L	74	Confident	73.8	Confident	91 Å²	91	82.8 Å²	82.8	48%	0.476	44%	0.441	S	S	.	.	B	Isolated β-bridge	trans	-66	139.8	177.5	-63.2	177.2	0	0	0	110.9	F564 T745	F564-L743 HydrophobicContact CB-CB 4.11Å; F564-L743 HydrophobicContact CB-CD2 4.23Å; L743-T745 WeakPolarHBondContact O-CG2 3.46Å; L743-T745 PolarHBondContact O-N 3.12Å; L743-T745 VanDerWaalsContact O-N 3.12Å
744	L	69.7	Low	72.6	Confident	31 Å²	31	86.8 Å²	86.8	16%	0.162	46%	0.459	C	S	.	.			trans	-71.6	106.4	179	-62.5	173.5	0	0	0	110.4	F564 L565 L666 I702	F564-L744 WeakPolarHBondContact CD1-O 3.25Å; L565-L744 WeakPolarHBondContact O-CB 3.45Å; L565-L744 VanDerWaalsContact O-CG 3.25Å; L565-L744 WeakPolarHBondContact O-CG 3.48Å; L565-L744 PolarHBondContact O-N 3.33Å; L565-L744 VanDerWaalsContact O-N 3.13Å; L666-L744 HydrophobicContact CD2-CD1 3.94Å; I702-L744 HydrophobicContact CD1-CD1 3.68Å; I702-L744 HydrophobicContact CD1-CD2 3.46Å; I702-L744 VanDerWaalsContact CD1-CD2 3.46Å; I702-L744 HydrophobicContact CD1-CG 4.17Å
745	T	56.5	Low	71.4	Confident	67 Å²	67	80.1 Å²	80.1	41%	0.411	43%	0.431	S	S	.	.			trans	-76.7	147.2	-155.5	39.8	0	0	0	0	118.6	K701 L743 V747	K701-T745 PolarHBondContact NZ-O 2.69Å; K701-T745 PolarHBondContact NZ-OG1 2.98Å; L743-T745 WeakPolarHBondContact O-CG2 3.46Å; L743-T745 PolarHBondContact O-N 3.12Å; L743-T745 VanDerWaalsContact O-N 3.12Å; T745-V747 PolarHBondContact O-N 2.9Å; T745-V747 VanDerWaalsContact O-N 3.09Å
746	D	52.8	Low	70.3	Confident	141 Å²	141	79.3 Å²	79.3	75%	0.754	42%	0.424	S	S	*	.			trans	65	-5.3	147.4	-69	3.4	0	0	0	121.8	L748	D746-L748 PolarHBondContact O-N 3.49Å
747	V	49.6	Very low	69.4	Low	73 Å²	73	79.6 Å²	79.6	44%	0.442	43%	0.43	S	S	.	.			trans	-80.1	111.1	168.9	175.5	0	0	0	0	109.2	N698 T745 L749	N698-V747 WeakPolarHBondContact ND2-CG2 3.33Å; N698-V747 WeakPolarHBondContact OD1-CG2 3.46Å; T745-V747 PolarHBondContact O-N 2.9Å; T745-V747 VanDerWaalsContact O-N 3.09Å; V747-L749 PolarHBondContact O-N 3.41Å
748	L	48	Very low	68.6	Low	165 Å²	165	75.3 Å²	75.3	86%	0.864	41%	0.407	S	S	*	.			trans	-54.8	109.2	167.2	-138.5	101	0	0	0	107.4	D746 N750	D746-L748 PolarHBondContact O-N 3.49Å; L748-N750 PolarHBondContact O-N 2.84Å
749	L	50.4	Low	67.7	Low	50 Å²	50	68.2 Å²	68.2	26%	0.262	38%	0.375	S	S	.	.			trans	-53.5	137.1	176.7	-79.1	154.8	0	0	0	109.2	F560 K563 G668 V747 D751	F560-L749 HydrophobicContact CD1-CD1 3.78Å; F560-L749 HydrophobicContact CD1-CD2 4.25Å; F560-L749 HydrophobicContact CE1-CD1 4.21Å; F560-L749 HydrophobicContact CE1-CD2 3.83Å; K563-L749 WeakPolarHBondContact O-CD1 3.16Å; G668-L749 VanDerWaalsContact CA-CD2 3.47Å; G668-L749 WeakPolarHBondContact O-CD2 3.45Å; V747-L749 PolarHBondContact O-N 3.41Å; L749-D751 PolarHBondContact O-N 2.8Å
750	N	51.6	Low	66.9	Low	97 Å²	97	71.2 Å²	71.2	52%	0.519	39%	0.388	S	S	.	.			trans	-50.9	144.8	159.4	-71	-35.3	0	0	0	107.9	L748 V752	L748-N750 PolarHBondContact O-N 2.84Å; N750-V752 PolarHBondContact O-N 3.37Å
751	D	62.6	Low	66.3	Low	91 Å²	91	69.2 Å²	69.2	49%	0.487	37%	0.374	S	S	.	.			trans	-33.3	124.7	175.1	164.9	12.9	0	0	0	110.6	L749 S753 Q754 T755	L749-D751 PolarHBondContact O-N 2.8Å; D751-S753 CarbonylContact O-C 3.54Å; D751-S753 PolarHBondContact O-N 3.32Å; D751-S753 VanDerWaalsContact OD1-CB 3.28Å; D751-S753 WeakPolarHBondContact OD1-CB 3.31Å; D751-S753 PolarHBondContact OD1-N 2.96Å; D751-Q754 HydrophobicContact CB-CB 4.37Å; D751-Q754 HydrophobicContact CB-CG 3.93Å; D751-Q754 WeakPolarHBondContact O-CA 3.19Å; D751-Q754 WeakPolarHBondContact O-CB 3.41Å; D751-Q754 PolarHBondContact O-N 3.09Å; D751-T755 PolarHBondContact O-N 3.29Å; D751-T755 VanDerWaalsContact O-N 3.11Å
752	V	65.6	Low	65.7	Low	57 Å²	57	65.2 Å²	65.2	35%	0.345	35%	0.348	S	S	.	.	H	α-helix	trans	-49.8	-36.2	-174.4	177.8	0	0	0	0	111.1	F560 N750 T755 K756	F560-V752 HydrophobicContact CB-CB 4.48Å; F560-V752 HydrophobicContact CB-CG1 3.84Å; F560-V752 HydrophobicContact CB-CG2 3.8Å; F560-V752 HydrophobicContact CD2-CG1 3.6Å; F560-V752 HydrophobicContact CE2-CG1 4.42Å; F560-V752 HydrophobicContact CG-CG1 3.95Å; F560-V752 HydrophobicContact CG-CG2 4.23Å; N750-V752 PolarHBondContact O-N 3.37Å; V752-T755 PolarHBondContact O-N 3.22Å; V752-K756 WeakPolarHBondContact O-CB 3.3Å; V752-K756 PolarHBondContact O-N 2.95Å
753	S	69	Low	65.2	Low	63 Å²	63	58.7 Å²	58.7	44%	0.441	32%	0.318	S	S	.	.	H	α-helix	trans	-60.5	-46.4	173	-172.9	0	0	0	0	112.7	D751 T755 K756 N757	D751-S753 CarbonylContact O-C 3.54Å; D751-S753 PolarHBondContact O-N 3.32Å; D751-S753 VanDerWaalsContact OD1-CB 3.28Å; D751-S753 WeakPolarHBondContact OD1-CB 3.31Å; D751-S753 PolarHBondContact OD1-N 2.96Å; S753-T755 PolarHBondContact O-N 3.07Å; S753-K756 PolarHBondContact O-N 3.42Å; S753-N757 WeakPolarHBondContact O-CB 3.38Å; S753-N757 PolarHBondContact O-N 3.22Å; S753-N757 PolarHBondContact O-ND2 3.02Å; S753-N757 PolarHBondContact OG-ND2 2.95Å
754	Q	70.6	Confident	64.9	Low	84 Å²	84	60.6 Å²	60.6	39%	0.393	32%	0.319	S	S	.	.	H	α-helix	trans	-63.6	-40.5	177.4	-63.4	-179.9	30.2	0	0	112.4	P676 D751 S758	P676-Q754 HydrophobicContact CG-CB 3.87Å; P676-Q754 HydrophobicContact CG-CG 4.13Å; D751-Q754 HydrophobicContact CB-CB 4.37Å; D751-Q754 HydrophobicContact CB-CG 3.93Å; D751-Q754 WeakPolarHBondContact O-CA 3.19Å; D751-Q754 WeakPolarHBondContact O-CB 3.41Å; D751-Q754 PolarHBondContact O-N 3.09Å; Q754-S758 WeakPolarHBondContact O-CB 3.48Å; Q754-S758 PolarHBondContact O-N 3.12Å; Q754-S758 PolarHBondContact O-OG 3.09Å
755	T	70.1	Confident	64.6	Low	5 Å²	5	59.2 Å²	59.2	3%	0.031	31%	0.311	C	S	.	.	H	α-helix	trans	-67.2	-45.1	176.7	-58.3	0	0	0	0	110.7	F560 T664 G668 D751 V752 S753 N757 S758 V759	F560-T755 HydrophobicContact CE1-CG2 4.37Å; F560-T755 HydrophobicContact CE2-CG2 4.22Å; F560-T755 HydrophobicContact CZ-CG2 3.59Å; T664-T755 HydrophobicContact CG2-CG2 4.42Å; G668-T755 WeakPolarHBondContact O-CG2 3.26Å; D751-T755 PolarHBondContact O-N 3.29Å; D751-T755 VanDerWaalsContact O-N 3.11Å; V752-T755 PolarHBondContact O-N 3.22Å; S753-T755 PolarHBondContact O-N 3.07Å; T755-N757 PolarHBondContact O-N 2.87Å; T755-S758 PolarHBondContact O-N 2.82Å; T755-V759 WeakPolarHBondContact O-CG2 3.48Å; T755-V759 PolarHBondContact O-N 3.01Å
756	K	71.7	Confident	64.9	Low	47 Å²	47	57.1 Å²	57.1	20%	0.204	30%	0.298	C	S	.	.	H	α-helix	trans	-58.4	-46.8	174.7	-167.3	166	-171.8	164.9	0	112	E554 D557 V752 S753 S758 V759 E760	E554-K756 IonicContact OE1-NZ 3.42Å; E554-K756 PolarHBondContact OE1-NZ 3.13Å; E554-K756 WeakPolarHBondContact OE2-CE 3.39Å; E554-K756 IonicContact OE2-NZ 3.47Å; E554-K756 PolarHBondContact OE2-NZ 3.3Å; D557-K756 VanDerWaalsContact CG-NZ 3.28Å; D557-K756 IonicContact OD1-NZ 3.73Å; D557-K756 PolarHBondContact OD1-NZ 3.14Å; D557-K756 IonicContact OD2-NZ 3.09Å; D557-K756 PolarHBondContact OD2-NZ 3.5Å; V752-K756 WeakPolarHBondContact O-CB 3.3Å; V752-K756 PolarHBondContact O-N 2.95Å; S753-K756 PolarHBondContact O-N 3.42Å; K756-S758 VanDerWaalsContact C-N 3.33Å; K756-S758 PolarHBondContact O-N 3.13Å; K756-V759 WeakPolarHBondContact O-CB 3.42Å; K756-V759 PolarHBondContact O-N 3.26Å; K756-E760 WeakPolarHBondContact O-CG 3.49Å; K756-E760 PolarHBondContact O-N 2.73Å
757	N	74.4	Confident	65	Low	56 Å²	56	53.9 Å²	53.9	30%	0.299	28%	0.28	S	S	.	.	H	α-helix	trans	-61.3	-37.9	175.1	-73	-47.3	0	0	0	113.1	P676 S753 T755 E760 A761	P676-N757 HydrophobicContact CB-CB 3.77Å; P676-N757 HydrophobicContact CG-CB 4.39Å; S753-N757 WeakPolarHBondContact O-CB 3.38Å; S753-N757 PolarHBondContact O-N 3.22Å; S753-N757 PolarHBondContact O-ND2 3.02Å; S753-N757 PolarHBondContact OG-ND2 2.95Å; T755-N757 PolarHBondContact O-N 2.87Å; N757-E760 PolarHBondContact O-N 2.77Å; N757-A761 WeakPolarHBondContact O-CB 3.37Å; N757-A761 PolarHBondContact O-N 3.25Å
758	S	73.4	Confident	65	Low	10 Å²	10	52.9 Å²	52.9	7%	0.07	28%	0.277	C	S	.	.	H	α-helix	trans	-71.7	-37.1	177.9	-55	0	0	0	0	111.8	T670 A673 Q754 T755 K756 A761 T762	T670-S758 VanDerWaalsContact CG2-C 3.44Å; A673-S758 VanDerWaalsContact CB-O 3.3Å; A673-S758 WeakPolarHBondContact CB-O 3.48Å; Q754-S758 WeakPolarHBondContact O-CB 3.48Å; Q754-S758 PolarHBondContact O-N 3.12Å; Q754-S758 PolarHBondContact O-OG 3.09Å; T755-S758 PolarHBondContact O-N 2.82Å; K756-S758 VanDerWaalsContact C-N 3.33Å; K756-S758 PolarHBondContact O-N 3.13Å; S758-A761 PolarHBondContact O-N 3.41Å; S758-T762 PolarHBondContact O-N 2.78Å; S758-T762 PolarHBondContact O-OG1 2.81Å
759	V	72.8	Confident	64.8	Low	7 Å²	7	47.5 Å²	47.5	4%	0.042	25%	0.251	C	S	.	.	H	α-helix	trans	-58.7	-52.2	171.5	165.3	0	0	0	0	109.2	L556 P596 T664 T670 T755 K756 A761 T762 F763	L556-V759 HydrophobicContact CD1-CG2 4.25Å; P596-V759 HydrophobicContact CG-CG1 3.79Å; T664-V759 HydrophobicContact CG2-CG2 3.9Å; T670-V759 HydrophobicContact CG2-CB 4.3Å; T670-V759 HydrophobicContact CG2-CG2 3.7Å; T755-V759 WeakPolarHBondContact O-CG2 3.48Å; T755-V759 PolarHBondContact O-N 3.01Å; K756-V759 WeakPolarHBondContact O-CB 3.42Å; K756-V759 PolarHBondContact O-N 3.26Å; V759-A761 VanDerWaalsContact C-N 3.31Å; V759-A761 PolarHBondContact O-N 2.91Å; V759-T762 WeakPolarHBondContact O-CB 3.5Å; V759-T762 PolarHBondContact O-N 3.39Å; V759-T762 VanDerWaalsContact O-N 3.1Å; V759-F763 HydrophobicContact CG1-CD2 3.84Å; V759-F763 HydrophobicContact CG1-CE2 3.84Å; V759-F763 VanDerWaalsContact O-CD2 3.29Å; V759-F763 WeakPolarHBondContact O-CD2 3.19Å; V759-F763 PolarHBondContact O-N 3.3Å
760	E	73.4	Confident	64.4	Low	82 Å²	82	46.9 Å²	46.9	38%	0.383	25%	0.251	S	S	.	.	H	α-helix	trans	-59	-39.9	176.1	-71.8	-177.7	-169.8	0	0	113	K756 N757 T762 F763 R764	K756-E760 WeakPolarHBondContact O-CG 3.49Å; K756-E760 PolarHBondContact O-N 2.73Å; N757-E760 PolarHBondContact O-N 2.77Å; E760-T762 VanDerWaalsContact C-N 3.29Å; E760-T762 PolarHBondContact O-N 2.82Å; E760-F763 PolarHBondContact O-N 3.18Å; E760-R764 VanDerWaalsContact O-CB 3.3Å; E760-R764 WeakPolarHBondContact O-CB 3.42Å; E760-R764 VanDerWaalsContact O-CG 3.28Å; E760-R764 WeakPolarHBondContact O-CG 3.45Å; E760-R764 PolarHBondContact O-N 2.99Å; E760-R764 IonicContact OE2-CZ 2.77Å; E760-R764 IonicContact OE2-NE 2.71Å; E760-R764 IonicContact OE2-NH2 2.73Å; E760-R764 PolarHBondContact OE2-NH2 3.32Å
761	A	71.5	Confident	63.6	Low	5 Å²	5	51.4 Å²	51.4	4%	0.041	27%	0.266	C	S	.	.	H	α-helix	trans	-61.2	-38.7	175.6	0	0	0	0	0	111.7	A673 N757 S758 V759 R764 A765	A673-A761 HydrophobicContact CB-CB 4.18Å; N757-A761 WeakPolarHBondContact O-CB 3.37Å; N757-A761 PolarHBondContact O-N 3.25Å; S758-A761 PolarHBondContact O-N 3.41Å; V759-A761 VanDerWaalsContact C-N 3.31Å; V759-A761 PolarHBondContact O-N 2.91Å; A761-R764 PolarHBondContact O-N 2.99Å; A761-A765 WeakPolarHBondContact O-CB 3.28Å; A761-A765 PolarHBondContact O-N 2.65Å
762	T	70.9	Confident	62.3	Low	0 Å²	0	50 Å²	50	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-63.2	-47.7	174.2	-55.8	0	0	0	0	111.6	V660 T670 F672 A673 S758 V759 E760 A765 L766	V660-T762 HydrophobicContact CG1-CG2 4.21Å; T670-T762 PolarHBondContact OG1-OG1 3.17Å; F672-T762 HydrophobicContact CB-CG2 4.38Å; F672-T762 HydrophobicContact CD2-CG2 4.03Å; A673-T762 VanDerWaalsContact CB-OG1 3.23Å; A673-T762 WeakPolarHBondContact CB-OG1 3.43Å; S758-T762 PolarHBondContact O-N 2.78Å; S758-T762 PolarHBondContact O-OG1 2.81Å; V759-T762 WeakPolarHBondContact O-CB 3.5Å; V759-T762 PolarHBondContact O-N 3.39Å; V759-T762 VanDerWaalsContact O-N 3.1Å; E760-T762 VanDerWaalsContact C-N 3.29Å; E760-T762 PolarHBondContact O-N 2.82Å; T762-A765 PolarHBondContact O-N 2.64Å; T762-L766 HydrophobicContact CG2-CD1 4.06Å; T762-L766 VanDerWaalsContact O-CG 3.3Å; T762-L766 WeakPolarHBondContact O-CG 3.11Å; T762-L766 PolarHBondContact O-N 3.26Å
763	F	70.6	Confident	60.6	Low	10 Å²	10	50.5 Å²	50.5	4%	0.044	26%	0.262	C	S	.	.	H	α-helix	trans	-68.3	-36.5	177.6	-76.6	-74.1	0	0	0	113	L594 K595 V660 I661 V759 E760 L766 N767	L594-F763 WeakPolarHBondContact O-CE1 3.35Å; K595-F763 HydrophobicContact CB-CD1 4.12Å; K595-F763 HydrophobicContact CB-CD2 3.97Å; K595-F763 HydrophobicContact CB-CE1 4.18Å; K595-F763 HydrophobicContact CB-CE2 4.04Å; K595-F763 HydrophobicContact CB-CG 4.03Å; K595-F763 HydrophobicContact CB-CZ 4.14Å; V660-F763 HydrophobicContact CB-CE2 4.44Å; V660-F763 HydrophobicContact CB-CZ 4.01Å; V660-F763 HydrophobicContact CG1-CE2 3.85Å; V660-F763 HydrophobicContact CG1-CZ 3.93Å; I661-F763 HydrophobicContact CG1-CZ 4.41Å; V759-F763 HydrophobicContact CG1-CD2 3.84Å; V759-F763 HydrophobicContact CG1-CE2 3.84Å; V759-F763 VanDerWaalsContact O-CD2 3.29Å; V759-F763 WeakPolarHBondContact O-CD2 3.19Å; V759-F763 PolarHBondContact O-N 3.3Å; E760-F763 PolarHBondContact O-N 3.18Å; F763-L766 HydrophobicContact CD1-CD1 4.34Å; F763-L766 PolarHBondContact O-N 3.44Å; F763-N767 WeakPolarHBondContact O-CB 3.37Å; F763-N767 VanDerWaalsContact O-CG 3.23Å; F763-N767 PolarHBondContact O-N 3.45Å
764	R	67.9	Low	58.9	Low	132 Å²	132	52 Å²	52	50%	0.498	26%	0.264	S	S	.	.	H	α-helix	trans	-60.5	-44.9	171.2	-78.1	-178.5	-112.9	139.5	-7.5	111.4	E760 A761 N767 S768	E760-R764 VanDerWaalsContact O-CB 3.3Å; E760-R764 WeakPolarHBondContact O-CB 3.42Å; E760-R764 VanDerWaalsContact O-CG 3.28Å; E760-R764 WeakPolarHBondContact O-CG 3.45Å; E760-R764 PolarHBondContact O-N 2.99Å; E760-R764 IonicContact OE2-CZ 2.77Å; E760-R764 IonicContact OE2-NE 2.71Å; E760-R764 IonicContact OE2-NH2 2.73Å; E760-R764 PolarHBondContact OE2-NH2 3.32Å; A761-R764 PolarHBondContact O-N 2.99Å; R764-N767 PolarHBondContact O-N 3.39Å; R764-S768 PolarHBondContact O-N 3.16Å
765	A	63.9	Low	57.3	Low	1 Å²	1	54 Å²	54	1%	0.008	28%	0.277	C	S	.	.	H	α-helix	trans	-62	-49.8	175.6	0	0	0	0	0	111.2	V683 L684 A761 T762 N767 S768 T769	V683-A765 HydrophobicContact CB-CB 3.74Å; V683-A765 HydrophobicContact CG1-CB 3.65Å; L684-A765 HydrophobicContact CD2-CB 4.04Å; L684-A765 WeakPolarHBondContact CD2-O 3.31Å; L684-A765 HydrophobicContact CG-CB 4.27Å; A761-A765 WeakPolarHBondContact O-CB 3.28Å; A761-A765 PolarHBondContact O-N 2.65Å; T762-A765 PolarHBondContact O-N 2.64Å; A765-N767 VanDerWaalsContact C-N 3.3Å; A765-N767 PolarHBondContact O-N 2.94Å; A765-S768 WeakPolarHBondContact O-CA 3.31Å; A765-S768 WeakPolarHBondContact O-CB 3.36Å; A765-S768 PolarHBondContact O-N 2.65Å; A765-S768 PolarHBondContact O-OG 3.12Å; A765-T769 PolarHBondContact O-N 3.44Å; A765-T769 VanDerWaalsContact O-N 3.08Å; A765-T769 PolarHBondContact O-OG1 3.31Å
766	L	61.4	Low	55.8	Low	23 Å²	23	59.3 Å²	59.3	12%	0.12	30%	0.301	C	S	.	.	H	α-helix	trans	-56	-43.5	178.5	-72.8	164.2	0	0	0	112.8	W656 V660 I687 T762 F763 S768 T769	W656-L766 HydrophobicContact CZ2-CD2 4.12Å; W656-L766 VanDerWaalsContact NE1-CD1 3.29Å; V660-L766 HydrophobicContact CG2-CD1 4.49Å; I687-L766 HydrophobicContact CD1-CD2 3.75Å; I687-L766 HydrophobicContact CD1-CG 4.1Å; T762-L766 HydrophobicContact CG2-CD1 4.06Å; T762-L766 VanDerWaalsContact O-CG 3.3Å; T762-L766 WeakPolarHBondContact O-CG 3.11Å; T762-L766 PolarHBondContact O-N 3.26Å; F763-L766 HydrophobicContact CD1-CD1 4.34Å; F763-L766 PolarHBondContact O-N 3.44Å; L766-S768 PolarHBondContact O-N 3.21Å; L766-T769 VanDerWaalsContact CA-OG1 3.32Å; L766-T769 WeakPolarHBondContact CA-OG1 3.48Å; L766-T769 PolarHBondContact O-N 2.73Å; L766-T769 VanDerWaalsContact O-N 3.16Å; L766-T769 PolarHBondContact O-OG1 2.53Å
767	N	56.1	Low	54.2	Low	73 Å²	73	60.3 Å²	60.3	39%	0.39	31%	0.312	S	S	.	.	H	α-helix	trans	-65.2	-23.2	175.5	-70.1	-9.8	0	0	0	113	F763 R764 A765 I774	F763-N767 WeakPolarHBondContact O-CB 3.37Å; F763-N767 VanDerWaalsContact O-CG 3.23Å; F763-N767 PolarHBondContact O-N 3.45Å; R764-N767 PolarHBondContact O-N 3.39Å; A765-N767 VanDerWaalsContact C-N 3.3Å; A765-N767 PolarHBondContact O-N 2.94Å; N767-I774 WeakPolarHBondContact O-CD1 3.34Å
768	S	50	Low	52.5	Low	53 Å²	53	62.2 Å²	62.2	37%	0.371	33%	0.326	S	S	.	.	H	α-helix	trans	-84.3	-23.1	172.4	74.1	0	0	0	0	114.6	R764 A765 L766 S770	R764-S768 PolarHBondContact O-N 3.16Å; A765-S768 WeakPolarHBondContact O-CA 3.31Å; A765-S768 WeakPolarHBondContact O-CB 3.36Å; A765-S768 PolarHBondContact O-N 2.65Å; A765-S768 PolarHBondContact O-OG 3.12Å; L766-S768 PolarHBondContact O-N 3.21Å; S768-S770 VanDerWaalsContact C-N 3.32Å; S768-S770 PolarHBondContact O-N 3.03Å
769	T	43.9	Very low	51.1	Low	51 Å²	51	66.8 Å²	66.8	31%	0.313	35%	0.346	S	S	.	.	H	α-helix	trans	-74	-17	176.3	6	0	0	0	0	114.9	L684 A765 L766 K771	L684-T769 HydrophobicContact CD1-CG2 3.91Å; L684-T769 HydrophobicContact CD2-CG2 3.34Å; L684-T769 WeakPolarHBondContact CD2-OG1 3.5Å; L684-T769 HydrophobicContact CG-CG2 4.1Å; A765-T769 PolarHBondContact O-N 3.44Å; A765-T769 VanDerWaalsContact O-N 3.08Å; A765-T769 PolarHBondContact O-OG1 3.31Å; L766-T769 VanDerWaalsContact CA-OG1 3.32Å; L766-T769 WeakPolarHBondContact CA-OG1 3.48Å; L766-T769 PolarHBondContact O-N 2.73Å; L766-T769 VanDerWaalsContact O-N 3.16Å; L766-T769 PolarHBondContact O-OG1 2.53Å; T769-K771 PolarHBondContact O-N 3.02Å
770	S	41	Very low	49.8	Very low	38 Å²	38	68.6 Å²	68.6	27%	0.266	36%	0.359	S	S	.	.			trans	-71.9	81.3	179.5	-68.4	0	0	0	0	109.5	S768 I772	S768-S770 VanDerWaalsContact C-N 3.32Å; S768-S770 PolarHBondContact O-N 3.03Å; S770-I772 CarbonylContact C-O 3.55Å
771	K	35.8	Very low	48.6	Very low	191 Å²	191	67.4 Å²	67.4	83%	0.83	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.1	17.8	167.4	-72.5	-170.9	177.6	179	0	112.6	T769	T769-K771 PolarHBondContact O-N 3.02Å
772	I	34.1	Very low	47.5	Very low	62 Å²	62	68.9 Å²	68.9	32%	0.318	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn		-61.3	125.3	126	-58.6	-178.5	0	0	0	103.9	Y649 S770 I774	Y649-I772 HydrophobicContact CD1-CD1 3.69Å; Y649-I772 HydrophobicContact CD2-CD1 4.19Å; Y649-I772 HydrophobicContact CE1-CD1 3.36Å; Y649-I772 HydrophobicContact CE1-CG1 4.44Å; Y649-I772 HydrophobicContact CE2-CD1 3.85Å; Y649-I772 HydrophobicContact CG-CD1 4.12Å; Y649-I772 VanDerWaalsContact CZ-CD1 3.46Å; S770-I772 CarbonylContact C-O 3.55Å; I772-I774 PolarHBondContact O-N 3.36Å
773	P	29.1	Very low	46.3	Very low	67 Å²	67	72.6 Å²	72.6	44%	0.435	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.9	105.5	-172.7	-26.2	33.7	0	0	0	110.8	L775	P773-L775 VanDerWaalsContact C-N 3.33Å; P773-L775 PolarHBondContact O-N 3.04Å
774	I	34.6	Very low	45.3	Very low	94 Å²	94	72.8 Å²	72.8	48%	0.482	39%	0.391	S	S	.	.			trans	-57.5	113	154.7	-70.9	169	0	0	0	103	N767 I772 E776	N767-I774 WeakPolarHBondContact O-CD1 3.34Å; I772-I774 PolarHBondContact O-N 3.36Å; I774-E776 HydrophobicContact CG2-CG 4.22Å; I774-E776 PolarHBondContact O-N 3.3Å
775	L	36.7	Very low	44.4	Very low	127 Å²	127	70.5 Å²	70.5	67%	0.665	39%	0.386	S	S	*	.			trans	-63.3	82.8	162	-78.9	172.5	0	0	0	106.7	Y153 P773	Y153-L775 HydrophobicContact CD2-CD1 3.67Å; Y153-L775 HydrophobicContact CD2-CD2 4.47Å; Y153-L775 HydrophobicContact CD2-CG 4.27Å; Y153-L775 HydrophobicContact CE2-CD1 3.87Å; Y153-L775 HydrophobicContact CE2-CD2 4.13Å; Y153-L775 HydrophobicContact CE2-CG 3.96Å; P773-L775 VanDerWaalsContact C-N 3.33Å; P773-L775 PolarHBondContact O-N 3.04Å
776	E	38.6	Very low	43.8	Very low	117 Å²	117	75.6 Å²	75.6	55%	0.547	41%	0.405	S	S	.	.			trans	-53.7	150.5	150.3	-60.9	-164	165.6	0	0	107.4	I774 C780	I774-E776 HydrophobicContact CG2-CG 4.22Å; I774-E776 PolarHBondContact O-N 3.3Å; E776-C780 HydrophobicContact CB-CB 3.45Å; E776-C780 VanDerWaalsContact CB-CB 3.45Å; E776-C780 HydrophobicContact CG-CB 4.36Å; E776-C780 WeakPolarHBondContact OE2-CB 3.18Å; E776-C780 PolarHBondContact OE2-SG 3.33Å
777	P	37.5	Very low	43.1	Very low	67 Å²	67	80.7 Å²	80.7	44%	0.435	42%	0.423	S	S	.	.			trans	-46	148	176.3	-28.6	35.8	0	0	0	111.1	E779 C780	P777-E779 WeakPolarHBondContact CB-OE1 3.45Å; P777-E779 VanDerWaalsContact CB-OE2 3.28Å; P777-E779 WeakPolarHBondContact CB-OE2 3.16Å; P777-E779 PolarHBondContact O-N 3.41Å; P777-C780 WeakPolarHBondContact O-CB 3.5Å; P777-C780 PolarHBondContact O-N 3.32Å
778	V	39.6	Very low	42.9	Very low	97 Å²	97	81 Å²	81	59%	0.588	43%	0.427	S	S	*	.	G	3₁₀ helix	trans	-49.6	-34.6	-174.3	171.1	0	0	0	0	111.1	C780 S781 A784	V778-C780 PolarHBondContact O-N 3.22Å; V778-C780 VanDerWaalsContact O-N 3.1Å; V778-S781 WeakPolarHBondContact O-CB 3.48Å; V778-S781 PolarHBondContact O-N 3.01Å; V778-A784 HydrophobicContact CG1-CB 4.15Å; V778-A784 WeakPolarHBondContact O-CB 3.39Å
779	E	44.4	Very low	43	Very low	105 Å²	105	86.8 Å²	86.8	49%	0.491	44%	0.441	S	S	.	.	G	3₁₀ helix	trans	-42.6	-37.1	170	-57.6	100.7	-102	0	0	116	P777 Q785	P777-E779 WeakPolarHBondContact CB-OE1 3.45Å; P777-E779 VanDerWaalsContact CB-OE2 3.28Å; P777-E779 WeakPolarHBondContact CB-OE2 3.16Å; P777-E779 PolarHBondContact O-N 3.41Å; E779-Q785 WeakPolarHBondContact O-CG 3.24Å; E779-Q785 PolarHBondContact O-N 3.38Å
780	C	45.3	Very low	43.1	Very low	45 Å²	45	87.1 Å²	87.1	30%	0.304	45%	0.449	S	S	.	.	G	3₁₀ helix	trans	-78.9	-18.9	-178.4	-74	0	0	0	0	113.8	E776 P777 V778 T782 Q785	E776-C780 HydrophobicContact CB-CB 3.45Å; E776-C780 VanDerWaalsContact CB-CB 3.45Å; E776-C780 HydrophobicContact CG-CB 4.36Å; E776-C780 WeakPolarHBondContact OE2-CB 3.18Å; E776-C780 PolarHBondContact OE2-SG 3.33Å; P777-C780 WeakPolarHBondContact O-CB 3.5Å; P777-C780 PolarHBondContact O-N 3.32Å; V778-C780 PolarHBondContact O-N 3.22Å; V778-C780 VanDerWaalsContact O-N 3.1Å; C780-T782 PolarHBondContact O-N 3.35Å; C780-Q785 PolarHBondContact O-NE2 3.39Å
781	S	48.9	Very low	43.6	Very low	57 Å²	57	90.4 Å²	90.4	40%	0.399	46%	0.458	S	S	.	.	S	Bend	trans	-54.5	135.7	168.5	174.8	0	0	0	0	109.8	V778 L783 A784 Q785	V778-S781 WeakPolarHBondContact O-CB 3.48Å; V778-S781 PolarHBondContact O-N 3.01Å; S781-L783 PolarHBondContact O-N 2.92Å; S781-L783 WeakPolarHBondContact OG-CB 3.39Å; S781-L783 PolarHBondContact OG-N 3.28Å; S781-A784 PolarHBondContact O-N 3.31Å; S781-Q785 WeakPolarHBondContact O-CG 3.35Å; S781-Q785 PolarHBondContact O-N 3.36Å
782	T	47.8	Very low	44.2	Very low	37 Å²	37	84.1 Å²	84.1	23%	0.227	44%	0.438	C	S	.	.	H	α-helix	trans	-54.6	-27.8	175.2	62.5	0	0	0	0	111.9	E263 C780 R786	E263-T782 HydrophobicContact CG-CG2 4.33Å; C780-T782 PolarHBondContact O-N 3.35Å; T782-R786 VanDerWaalsContact O-CB 3.28Å; T782-R786 WeakPolarHBondContact O-CB 3.27Å; T782-R786 VanDerWaalsContact O-CD 3.22Å; T782-R786 WeakPolarHBondContact O-CD 3.46Å; T782-R786 WeakPolarHBondContact O-CG 3.22Å; T782-R786 PolarHBondContact O-N 3.42Å; T782-R786 VanDerWaalsContact O-N 3.12Å
783	L	45.8	Very low	44.8	Very low	77 Å²	77	86.1 Å²	86.1	40%	0.403	45%	0.448	S	S	.	.	H	α-helix	trans	-67.1	-44.4	173.2	-172.9	65.8	0	0	0	112.4	S781 R786 R787	S781-L783 PolarHBondContact O-N 2.92Å; S781-L783 WeakPolarHBondContact OG-CB 3.39Å; S781-L783 PolarHBondContact OG-N 3.28Å; L783-R786 WeakPolarHBondContact O-CB 3.35Å; L783-R786 PolarHBondContact O-N 2.83Å; L783-R787 WeakPolarHBondContact O-CG 3.47Å; L783-R787 PolarHBondContact O-N 3.23Å
784	A	48.3	Very low	45.6	Very low	15 Å²	15	88 Å²	88	12%	0.124	45%	0.454	C	S	.	.	H	α-helix	trans	-76.5	-41.4	179.7	0	0	0	0	0	112.2	V778 S781 R786 R787 V788	V778-A784 HydrophobicContact CG1-CB 4.15Å; V778-A784 WeakPolarHBondContact O-CB 3.39Å; S781-A784 PolarHBondContact O-N 3.31Å; A784-R786 PolarHBondContact O-N 2.6Å; A784-R787 CarbonylContact O-C 3.46Å; A784-R787 WeakPolarHBondContact O-CA 3.19Å; A784-R787 WeakPolarHBondContact O-CB 3.37Å; A784-R787 PolarHBondContact O-N 3.42Å; A784-V788 WeakPolarHBondContact O-CG2 3.27Å; A784-V788 PolarHBondContact O-N 2.98Å
785	Q	50	Low	46.2	Very low	84 Å²	84	86.9 Å²	86.9	39%	0.393	45%	0.452	S	S	.	.	H	α-helix	trans	-53.3	-38.8	169.9	-64.4	-172.3	16	0	0	111.2	E779 C780 S781 R789	E779-Q785 WeakPolarHBondContact O-CG 3.24Å; E779-Q785 PolarHBondContact O-N 3.38Å; C780-Q785 PolarHBondContact O-NE2 3.39Å; S781-Q785 WeakPolarHBondContact O-CG 3.35Å; S781-Q785 PolarHBondContact O-N 3.36Å; Q785-R789 WeakPolarHBondContact O-CG 3.37Å; Q785-R789 PolarHBondContact O-N 3.18Å
786	R	50.2	Low	46.7	Very low	107 Å²	107	85.5 Å²	85.5	40%	0.404	45%	0.445	S	S	.	.	H	α-helix	trans	-68.8	-41	173	-77.3	168.4	-179.8	168.4	2.1	113.3	E263 T782 L783 A784 V788 R789 A790	E263-R786 PolarHBondContact O-NH1 3.03Å; E263-R786 PolarHBondContact O-NH2 3.42Å; T782-R786 VanDerWaalsContact O-CB 3.28Å; T782-R786 WeakPolarHBondContact O-CB 3.27Å; T782-R786 VanDerWaalsContact O-CD 3.22Å; T782-R786 WeakPolarHBondContact O-CD 3.46Å; T782-R786 WeakPolarHBondContact O-CG 3.22Å; T782-R786 PolarHBondContact O-N 3.42Å; T782-R786 VanDerWaalsContact O-N 3.12Å; L783-R786 WeakPolarHBondContact O-CB 3.35Å; L783-R786 PolarHBondContact O-N 2.83Å; A784-R786 PolarHBondContact O-N 2.6Å; R786-V788 VanDerWaalsContact C-N 3.33Å; R786-V788 PolarHBondContact O-N 2.77Å; R786-R789 PolarHBondContact O-N 3.22Å; R786-A790 VanDerWaalsContact O-CB 3.27Å; R786-A790 WeakPolarHBondContact O-CB 3.42Å; R786-A790 PolarHBondContact O-N 3.12Å
787	R	47.6	Very low	47	Very low	130 Å²	130	84.4 Å²	84.4	49%	0.491	44%	0.44	S	S	.	.	H	α-helix	trans	-61.3	-39.4	173.6	-73.3	176.3	177.7	-179.1	1.3	111.3	E187 L783 A784 K791	E187-R787 IonicContact OE1-NH2 3.99Å; L783-R787 WeakPolarHBondContact O-CG 3.47Å; L783-R787 PolarHBondContact O-N 3.23Å; A784-R787 CarbonylContact O-C 3.46Å; A784-R787 WeakPolarHBondContact O-CA 3.19Å; A784-R787 WeakPolarHBondContact O-CB 3.37Å; A784-R787 PolarHBondContact O-N 3.42Å; R787-K791 WeakPolarHBondContact O-CG 3.43Å; R787-K791 PolarHBondContact O-N 3.24Å; R787-K791 VanDerWaalsContact O-N 3.07Å
788	V	52.2	Low	47.6	Very low	79 Å²	79	85 Å²	85	48%	0.479	44%	0.439	S	S	.	.	H	α-helix	trans	-67.6	-49	175.1	175.1	0	0	0	0	111.8	A784 R786 A790 K791 S792	A784-V788 WeakPolarHBondContact O-CG2 3.27Å; A784-V788 PolarHBondContact O-N 2.98Å; R786-V788 VanDerWaalsContact C-N 3.33Å; R786-V788 PolarHBondContact O-N 2.77Å; V788-A790 VanDerWaalsContact C-N 3.34Å; V788-A790 PolarHBondContact O-N 3.39Å; V788-K791 PolarHBondContact O-N 2.98Å; V788-S792 WeakPolarHBondContact O-CB 3.05Å; V788-S792 PolarHBondContact O-N 3.09Å
789	R	52.1	Low	47.9	Very low	176 Å²	176	86.6 Å²	86.6	66%	0.664	44%	0.438	S	S	*	.	H	α-helix	trans	-61.9	-39	177.2	-74.4	-177.4	-177.5	173.7	4.8	112.4	Q785 R786 S792 I793	Q785-R789 WeakPolarHBondContact O-CG 3.37Å; Q785-R789 PolarHBondContact O-N 3.18Å; R786-R789 PolarHBondContact O-N 3.22Å; R789-S792 PolarHBondContact O-N 3.38Å; R789-I793 WeakPolarHBondContact O-CG1 3.33Å; R789-I793 PolarHBondContact O-N 3.25Å
790	A	46.5	Very low	48.2	Very low	58 Å²	58	85.8 Å²	85.8	48%	0.479	44%	0.44	S	S	.	.	H	α-helix	trans	-64.8	-43.6	175.6	0	0	0	0	0	112.5	R786 V788 I793 L794	R786-A790 VanDerWaalsContact O-CB 3.27Å; R786-A790 WeakPolarHBondContact O-CB 3.42Å; R786-A790 PolarHBondContact O-N 3.12Å; V788-A790 VanDerWaalsContact C-N 3.34Å; V788-A790 PolarHBondContact O-N 3.39Å; A790-I793 PolarHBondContact O-N 3.36Å; A790-L794 PolarHBondContact O-N 2.86Å; A790-L794 VanDerWaalsContact O-N 3.12Å
791	K	49.7	Very low	48.3	Very low	106 Å²	106	90.7 Å²	90.7	46%	0.461	46%	0.458	S	S	.	.	H	α-helix	trans	-60.7	-43.1	172.9	-78.9	177.3	173.3	178.9	0	111.6	E352 R787 V788 L794 T795	E352-K791 IonicContact OE1-NZ 3.4Å; E352-K791 PolarHBondContact OE1-NZ 2.99Å; E352-K791 IonicContact OE2-NZ 2.83Å; E352-K791 PolarHBondContact OE2-NZ 3.1Å; R787-K791 WeakPolarHBondContact O-CG 3.43Å; R787-K791 PolarHBondContact O-N 3.24Å; R787-K791 VanDerWaalsContact O-N 3.07Å; V788-K791 PolarHBondContact O-N 2.98Å; K791-L794 PolarHBondContact O-N 2.86Å; K791-T795 WeakPolarHBondContact O-CB 3.38Å; K791-T795 PolarHBondContact O-N 3.37Å; K791-T795 PolarHBondContact O-OG1 2.68Å
792	S	48.5	Very low	48.2	Very low	60 Å²	60	95 Å²	95	42%	0.42	47%	0.472	S	S	.	.	H	α-helix	trans	-59	-49	176.4	173.5	0	0	0	0	113.1	V788 R789 L794 T795 N796	V788-S792 WeakPolarHBondContact O-CB 3.05Å; V788-S792 PolarHBondContact O-N 3.09Å; R789-S792 PolarHBondContact O-N 3.38Å; S792-L794 PolarHBondContact O-N 2.94Å; S792-T795 PolarHBondContact O-N 3.2Å; S792-N796 PolarHBondContact O-N 3.1Å
793	I	48.3	Very low	48.3	Very low	103 Å²	103	103.7 Å²	103.7	53%	0.528	50%	0.501	S	S	.	.	H	α-helix	trans	-60.9	-45.1	178.6	-67	163.4	0	0	0	110.8	R789 A790 T795 N796 Q797	R789-I793 WeakPolarHBondContact O-CG1 3.33Å; R789-I793 PolarHBondContact O-N 3.25Å; A790-I793 PolarHBondContact O-N 3.36Å; I793-T795 VanDerWaalsContact C-N 3.33Å; I793-T795 PolarHBondContact O-N 2.56Å; I793-N796 PolarHBondContact O-N 2.86Å; I793-Q797 WeakPolarHBondContact O-CG 3.38Å; I793-Q797 PolarHBondContact O-N 3.15Å
794	L	45.1	Very low	48	Very low	107 Å²	107	110.4 Å²	110.4	56%	0.56	53%	0.53	S	S	*	.	H	α-helix	trans	-64.5	-38.1	179.2	-151.6	78.2	0	0	0	112.2	A790 K791 S792 Q797 I798	A790-L794 PolarHBondContact O-N 2.86Å; A790-L794 VanDerWaalsContact O-N 3.12Å; K791-L794 PolarHBondContact O-N 2.86Å; S792-L794 PolarHBondContact O-N 2.94Å; L794-Q797 PolarHBondContact O-N 2.76Å; L794-I798 HydrophobicContact CG-CD1 4.41Å; L794-I798 WeakPolarHBondContact O-CD1 3.41Å; L794-I798 VanDerWaalsContact O-CG1 3.3Å; L794-I798 WeakPolarHBondContact O-CG1 3.47Å; L794-I798 PolarHBondContact O-N 3.39Å; L794-I798 VanDerWaalsContact O-N 3.13Å
795	T	47.7	Very low	48	Very low	70 Å²	70	115.2 Å²	115.2	43%	0.429	55%	0.55	S	S	.	*	H	α-helix	trans	-71.3	-33.7	-179.6	-46.2	0	0	0	0	111.7	K791 S792 I793 K799	K791-T795 WeakPolarHBondContact O-CB 3.38Å; K791-T795 PolarHBondContact O-N 3.37Å; K791-T795 PolarHBondContact O-OG1 2.68Å; S792-T795 PolarHBondContact O-N 3.2Å; I793-T795 VanDerWaalsContact C-N 3.33Å; I793-T795 PolarHBondContact O-N 2.56Å; T795-K799 WeakPolarHBondContact O-CB 3.47Å; T795-K799 WeakPolarHBondContact O-CG 3.3Å; T795-K799 PolarHBondContact O-N 2.94Å
796	N	47.1	Very low	47.9	Very low	98 Å²	98	116.8 Å²	116.8	52%	0.524	56%	0.558	S	S	.	*	H	α-helix	trans	-75.9	-32.5	175	-75.3	-13.8	0	0	0	112.9	S792 I793 V800	S792-N796 PolarHBondContact O-N 3.1Å; I793-N796 PolarHBondContact O-N 2.86Å; N796-V800 WeakPolarHBondContact O-CG2 3.48Å; N796-V800 PolarHBondContact O-N 3.16Å
797	Q	45.4	Very low	47.8	Very low	95 Å²	95	117.4 Å²	117.4	44%	0.444	57%	0.567	S	S	.	*	H	α-helix	trans	-65.4	-48.3	172.4	-76.2	177.9	-34.2	0	0	111.3	I793 L794 K799 V800 E801	I793-Q797 WeakPolarHBondContact O-CG 3.38Å; I793-Q797 PolarHBondContact O-N 3.15Å; L794-Q797 PolarHBondContact O-N 2.76Å; Q797-K799 VanDerWaalsContact C-N 3.33Å; Q797-K799 PolarHBondContact O-N 3.09Å; Q797-V800 PolarHBondContact O-N 2.97Å; Q797-V800 VanDerWaalsContact O-N 3.08Å; Q797-E801 PolarHBondContact O-N 2.86Å
798	I	48.7	Very low	47.8	Very low	79 Å²	79	116.6 Å²	116.6	41%	0.405	57%	0.571	S	S	.	*	H	α-helix	trans	-60	-41.4	178	-64.7	164.1	0	0	0	111.3	L794 V800 E801 E802	L794-I798 HydrophobicContact CG-CD1 4.41Å; L794-I798 WeakPolarHBondContact O-CD1 3.41Å; L794-I798 VanDerWaalsContact O-CG1 3.3Å; L794-I798 WeakPolarHBondContact O-CG1 3.47Å; L794-I798 PolarHBondContact O-N 3.39Å; L794-I798 VanDerWaalsContact O-N 3.13Å; I798-V800 VanDerWaalsContact C-N 3.26Å; I798-V800 PolarHBondContact O-N 3.19Å; I798-E801 PolarHBondContact O-N 2.82Å; I798-E802 HydrophobicContact CG2-CG 4.3Å; I798-E802 WeakPolarHBondContact O-CB 3.1Å; I798-E802 WeakPolarHBondContact O-CG 3.3Å; I798-E802 PolarHBondContact O-N 3.26Å
799	K	46.8	Very low	47.5	Very low	131 Å²	131	119 Å²	119	57%	0.57	58%	0.577	S	S	*	*	H	α-helix	trans	-70.8	-14.1	177.5	-77	-175	175.9	-175.4	0	115.5	T795 Q797 R803	T795-K799 WeakPolarHBondContact O-CB 3.47Å; T795-K799 WeakPolarHBondContact O-CG 3.3Å; T795-K799 PolarHBondContact O-N 2.94Å; Q797-K799 VanDerWaalsContact C-N 3.33Å; Q797-K799 PolarHBondContact O-N 3.09Å; K799-R803 WeakPolarHBondContact O-CG 3.23Å
800	V	49.6	Very low	47.2	Very low	87 Å²	87	115.2 Å²	115.2	53%	0.527	57%	0.571	S	S	.	*	H	α-helix	trans	-91.7	-36.7	172.1	171.7	0	0	0	0	110.2	N796 Q797 I798 R803 H804	N796-V800 WeakPolarHBondContact O-CG2 3.48Å; N796-V800 PolarHBondContact O-N 3.16Å; Q797-V800 PolarHBondContact O-N 2.97Å; Q797-V800 VanDerWaalsContact O-N 3.08Å; I798-V800 VanDerWaalsContact C-N 3.26Å; I798-V800 PolarHBondContact O-N 3.19Å; V800-R803 PolarHBondContact O-N 2.53Å; V800-H804 PolarHBondContact O-CD2 3.09Å
801	E	48.8	Very low	47.3	Very low	148 Å²	148	119.3 Å²	119.3	69%	0.692	58%	0.578	S	S	*	*	H	α-helix	trans	-72.2	-23.9	173.8	-69	178.2	168.6	0	0	113.4	Q797 I798 R803	Q797-E801 PolarHBondContact O-N 2.86Å; I798-E801 PolarHBondContact O-N 2.82Å; E801-R803 VanDerWaalsContact C-N 3.32Å
802	E	46.5	Very low	47.1	Very low	149 Å²	149	120.3 Å²	120.3	70%	0.696	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.6	3.4	170.7	-71.1	178.5	162.4	0	0	113.8	I798	I798-E802 HydrophobicContact CG2-CG 4.3Å; I798-E802 WeakPolarHBondContact O-CB 3.1Å; I798-E802 WeakPolarHBondContact O-CG 3.3Å; I798-E802 PolarHBondContact O-N 3.26Å
803	R	48.4	Very low	47	Very low	219 Å²	219	125.3 Å²	125.3	83%	0.826	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.4	5.2	176.5	-76.2	-174.6	174.4	-163.4	-1.5	113.8	K799 V800 E801	K799-R803 WeakPolarHBondContact O-CG 3.23Å; V800-R803 PolarHBondContact O-N 2.53Å; E801-R803 VanDerWaalsContact C-N 3.32Å
804	H	41.5	Very low	46.9	Very low	218 Å²	218	127.4 Å²	127.4	100%	1.009	61%	0.608	S	S	*	*			trans	-120.4	0	172.6	-78.1	-52.5	0	0	0	110	V800	V800-H804 PolarHBondContact O-CD2 3.09Å

Retrieved 804 of 804 residues in 381.2 ms (Link to these results)

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