Q71SU7_SCHMA Loading...

Carboxylic ester hydrolase

AlphaFold DB , UniProt , Accession Q71SU7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 687 aa.

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(Predicted Aligned Error values between residue pairs)

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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	31.3	Very low	27.3	Very low	248 Å²	248	164.4 Å²	164.4	100%	1.222	88%	0.877	S	S	*	*				0	103.5	0	-75.6	177.7	-176.4	0	0	107.3
2	S	26.3	Very low	27.1	Very low	107 Å²	107	159.6 Å²	159.6	75%	0.748	87%	0.865	S	S	*	*			trans	-99.1	102.5	-173.1	41.4	0	0	0	0	109.8
3	Y	29.1	Very low	27.2	Very low	240 Å²	240	160.7 Å²	160.7	94%	0.941	87%	0.867	S	S	*	*			trans	-167.9	113.1	157.2	-85.8	-75.7	0	0	0	102.7
4	G	27.9	Very low	27.1	Very low	73 Å²	73	159.1 Å²	159.1	75%	0.753	86%	0.855	S	S	*	*				136.8	89.2	53.8	0	0	0	0	0	104.3
5	I	26.8	Very low	26.9	Very low	168 Å²	168	156.9 Å²	156.9	86%	0.862	85%	0.85	S	S	*	*	S	Bend	trans	-66.1	145.8	163.4	-66.2	169.1	0	0	0	106.1
6	V	27.1	Very low	26.8	Very low	133 Å²	133	152.9 Å²	152.9	81%	0.806	84%	0.837	S	S	*	*			trans	91.7	75.3	-176.5	-162.8	0	0	0	0	114.8
7	M	26.1	Very low	26.8	Very low	176 Å²	176	155.3 Å²	155.3	87%	0.867	84%	0.838	S	S	*	*			trans	-165.3	90.7	134.7	-100.3	-154.2	160.9	0	0	108.7
8	N	29.1	Very low	26.5	Very low	173 Å²	173	155.7 Å²	155.7	93%	0.925	84%	0.839	S	S	*	*			trans	-149.1	39.3	160.5	-103.3	-19.6	0	0	0	110.7
9	M	26	Very low	26.5	Very low	175 Å²	175	155.6 Å²	155.6	86%	0.862	84%	0.837	S	S	*	*	S	Bend	trans	-121.5	85.8	160.6	-77.7	-177.2	74.8	0	0	106.5
10	N	23.9	Very low	26.6	Very low	152 Å²	152	155.7 Å²	155.7	81%	0.813	84%	0.836	S	S	*	*			trans	166.4	86.6	155.6	-87.8	-24.1	0	0	0	108.9
11	L	26.4	Very low	26.9	Very low	163 Å²	163	154.3 Å²	154.3	85%	0.853	83%	0.829	S	S	*	*			trans	-156	98.1	150.6	-109.8	129.7	0	0	0	109.6
12	C	25	Very low	27	Very low	107 Å²	107	148.1 Å²	148.1	72%	0.723	81%	0.807	S	S	*	*			trans	43.9	87.6	140.9	-64	0	0	0	0	117.6
13	I	28.9	Very low	27.3	Very low	174 Å²	174	147.7 Å²	147.7	89%	0.892	80%	0.8	S	S	*	*			trans	-102.4	78.1	143.6	-56.6	178.2	0	0	0	106.5
14	I	25.3	Very low	27.2	Very low	138 Å²	138	142.9 Å²	142.9	71%	0.708	79%	0.79	S	S	*	*			trans	-121.9	131.6	161.4	-62.8	178.2	0	0	0	104.7
15	T	23.8	Very low	27.3	Very low	126 Å²	126	144 Å²	144	77%	0.773	79%	0.786	S	S	*	*			trans	78.6	97.5	-172.9	71.7	0	0	0	0	113.5
16	S	25.3	Very low	27.4	Very low	93 Å²	93	140.1 Å²	140.1	65%	0.65	77%	0.774	S	S	*	*				-177.2	131.4	79.3	-52.2	0	0	0	0	104.8
17	F	26.9	Very low	27.4	Very low	194 Å²	194	143.4 Å²	143.4	85%	0.851	77%	0.772	S	S	*	*				-169.8	114.6	75.4	-97.9	-92.3	0	0	0	107.7
18	L	21.8	Very low	27.6	Very low	163 Å²	163	142.2 Å²	142.2	85%	0.853	77%	0.768	S	S	*	*			trans	-62.6	130	145.5	-73.2	156.6	0	0	0	106.8
19	L	27.4	Very low	27.5	Very low	154 Å²	154	139.9 Å²	139.9	81%	0.806	76%	0.756	S	S	*	*			trans	169.4	131.8	133.6	-89.4	162.6	0	0	0	110.7
20	L	28.5	Very low	27.6	Very low	156 Å²	156	134.6 Å²	134.6	82%	0.817	74%	0.74	S	S	*	*			trans	80.6	90.5	165	-52.9	164.7	0	0	0	116.2
21	D	31.2	Very low	27.9	Very low	127 Å²	127	136.9 Å²	136.9	68%	0.679	74%	0.743	S	S	*	*				-171.9	108.9	91.7	-133.5	-25.4	0	0	0	111.9	V23	D21-V23 PolarHBondContact O-N 3.4Å
22	P	35.1	Very low	28	Very low	118 Å²	118	137.1 Å²	137.1	77%	0.766	74%	0.74	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.7	30.5	-179.7	33.3	-34.2	0	0	0	114.1
23	V	30.8	Very low	28.1	Very low	99 Å²	99	138.5 Å²	138.5	60%	0.6	74%	0.74	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.2	-8.1	-178.7	-177.4	0	0	0	0	114	D21 S26	D21-V23 PolarHBondContact O-N 3.4Å; V23-S26 PolarHBondContact O-OG 2.99Å
24	L	28.6	Very low	28	Very low	139 Å²	139	136 Å²	136	73%	0.728	73%	0.732	S	S	*	*	S	Bend	trans	-96.9	-6.2	179	-93.6	132.6	0	0	0	115.8
25	S	29.4	Very low	28.2	Very low	97 Å²	97	137 Å²	137	68%	0.678	74%	0.739	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.1	-10.3	173.3	178.7	0	0	0	0	114.2
26	S	28	Very low	28.1	Very low	85 Å²	85	138.1 Å²	138.1	59%	0.594	74%	0.74	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.1	-5.3	-179	63.5	0	0	0	0	114.2	V23	V23-S26 PolarHBondContact O-OG 2.99Å
27	R	28.5	Very low	28.2	Very low	202 Å²	202	139.6 Å²	139.6	76%	0.762	75%	0.745	S	S	*	*	S	Bend	trans	-95.9	-14.4	176.6	-72.9	-167.6	177	-161.2	1	115
28	L	29.1	Very low	28	Very low	152 Å²	152	138.4 Å²	138.4	80%	0.796	75%	0.747	S	S	*	*	S	Bend	trans	-87.6	-13.3	176.3	-85	155.7	0	0	0	114.2
29	N	28.4	Very low	28.2	Very low	124 Å²	124	137.8 Å²	137.8	66%	0.663	74%	0.743	S	S	*	*	S	Bend	trans	-102.1	7.4	175.7	-77.3	-11.6	0	0	0	114.4
30	A	27	Very low	28	Very low	64 Å²	64	136 Å²	136	53%	0.529	74%	0.74	S	S	.	*	T	Hydrogen-bonded Turn	trans	-87.8	-2.2	179.1	0	0	0	0	0	114.4
31	F	29.4	Very low	27.8	Very low	199 Å²	199	133.2 Å²	133.2	87%	0.873	73%	0.734	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.3	5.3	177.3	-85.5	-77.1	0	0	0	115.2
32	Q	29.3	Very low	27.5	Very low	169 Å²	169	135.5 Å²	135.5	79%	0.79	74%	0.744	S	S	*	*	S	Bend	trans	-106.3	4.7	175.3	-83.4	-169.1	-22.7	0	0	115.7
33	N	27.8	Very low	27	Very low	135 Å²	135	137.6 Å²	137.6	72%	0.722	74%	0.744	S	S	*	*			trans	-137.1	44.4	-175.5	-87.7	-33.5	0	0	0	115.5
34	V	26.7	Very low	26.7	Very low	121 Å²	121	140 Å²	140	73%	0.733	75%	0.754	S	S	*	*			trans	-125.2	62.7	162.8	-166.3	0	0	0	0	109.6
35	N	28.7	Very low	26.6	Very low	161 Å²	161	140 Å²	140	86%	0.861	76%	0.76	S	S	*	*			trans	-151.2	44	161	-91.8	-22.6	0	0	0	110.4
36	N	23	Very low	26.5	Very low	149 Å²	149	143.3 Å²	143.3	80%	0.797	77%	0.768	S	S	*	*			trans	-124.2	62.7	162.1	-85.7	-24.3	0	0	0	108.4
37	V	27	Very low	26.2	Very low	123 Å²	123	146.1 Å²	146.1	75%	0.745	78%	0.775	S	S	*	*			trans	-110.9	102.4	158.5	178.1	0	0	0	0	106	I39	V37-I39 PolarHBondContact O-N 2.74Å; V37-I39 VanDerWaalsContact O-N 3.16Å
38	L	21.5	Very low	26	Very low	170 Å²	170	143 Å²	143	89%	0.89	77%	0.773	S	S	*	*			trans	-49.4	112.8	170.3	-74.5	125.1	0	0	0	109.8
39	I	26.6	Very low	25.8	Very low	149 Å²	149	143.2 Å²	143.2	76%	0.764	78%	0.775	S	S	*	*			trans	-116.7	129.6	153.4	-59.4	-179	0	0	0	106.1	V37 S41	V37-I39 PolarHBondContact O-N 2.74Å; V37-I39 VanDerWaalsContact O-N 3.16Å; I39-S41 PolarHBondContact O-N 2.96Å
40	P	24	Very low	25.9	Very low	116 Å²	116	143.2 Å²	143.2	75%	0.753	79%	0.785	S	S	*	*			trans	-65.4	136.2	-162.2	-18.7	31.9	0	0	0	113.1	I42	P40-I42 PolarHBondContact O-N 3.04Å
41	S	22.8	Very low	26	Very low	99 Å²	99	148 Å²	148	69%	0.692	80%	0.8	S	S	*	*			trans	-43.5	116.2	162.7	51.6	0	0	0	0	112.4	I39 E43	I39-S41 PolarHBondContact O-N 2.96Å; S41-E43 VanDerWaalsContact C-N 3.26Å
42	I	26.6	Very low	25.9	Very low	174 Å²	174	142.9 Å²	142.9	89%	0.892	79%	0.794	S	S	*	*			trans	-99.1	66.1	146.2	-56.2	177.9	0	0	0	105.8	P40	P40-I42 PolarHBondContact O-N 3.04Å
43	E	23.7	Very low	25.9	Very low	163 Å²	163	138.5 Å²	138.5	76%	0.762	79%	0.787	S	S	*	*			trans	-117.9	102.3	159.5	-83.7	-173.7	162.6	0	0	105.3	S41	S41-E43 VanDerWaalsContact C-N 3.26Å
44	N	25.5	Very low	26	Very low	150 Å²	150	140.3 Å²	140.3	80%	0.802	80%	0.797	S	S	*	*			trans	166.8	77.4	150.6	-89.2	-26.4	0	0	0	109.5
45	T	25.9	Very low	26.3	Very low	139 Å²	139	141.3 Å²	141.3	85%	0.853	80%	0.797	S	S	*	*	S	Bend	trans	-158.4	139.8	130.9	-21.9	0	0	0	0	109.3
46	I	26.4	Very low	26.4	Very low	165 Å²	165	140.8 Å²	140.8	85%	0.846	79%	0.794	S	S	*	*			trans	95.2	56.8	-178.8	-44.3	158.3	0	0	0	113.6
47	I	22.2	Very low	27	Very low	145 Å²	145	141.3 Å²	141.3	74%	0.744	80%	0.795	S	S	*	*			trans	-105.8	135.4	140.1	-64.6	176.3	0	0	0	105.8
48	N	23.8	Very low	27.3	Very low	135 Å²	135	144.3 Å²	144.3	72%	0.722	80%	0.801	S	S	*	*			trans	109.4	85.7	172.3	-60.8	-25.9	0	0	0	115.5
49	N	26.1	Very low	28.1	Very low	157 Å²	157	143 Å²	143	84%	0.84	80%	0.795	S	S	*	*				164.8	101.9	113.6	-81.9	-18.7	0	0	0	110.6
50	S	29.1	Very low	28.9	Very low	125 Å²	125	143.8 Å²	143.8	87%	0.874	80%	0.801	S	S	*	*			trans	-169.5	89.6	138.7	36.6	0	0	0	0	108.9
51	I	29.2	Very low	30.2	Very low	164 Å²	164	146.3 Å²	146.3	84%	0.841	80%	0.8	S	S	*	*			trans	-61.1	131.1	156.3	-70.8	165.5	0	0	0	107.2
52	A	27.6	Very low	32	Very low	91 Å²	91	147.1 Å²	147.1	75%	0.752	80%	0.801	S	S	*	*			trans	24	95.8	156.2	0	0	0	0	0	116.6
53	A	30.6	Very low	34.3	Very low	78 Å²	78	142.3 Å²	142.3	65%	0.645	78%	0.779	S	S	*	*			trans	-106.3	96.1	149.1	0	0	0	0	0	106.9	I55	A53-I55 HydrophobicContact CB-CD1 4.09Å; A53-I55 HydrophobicContact CB-CG1 3.72Å; A53-I55 PolarHBondContact O-N 3.29Å
54	D	28.5	Very low	37.3	Very low	172 Å²	172	141 Å²	141	92%	0.92	78%	0.776	S	S	*	*			trans	-57.2	96	150.6	-84.1	-39.2	0	0	0	106.2
55	I	33.6	Very low	40.3	Very low	143 Å²	143	134.9 Å²	134.9	73%	0.733	75%	0.745	S	S	*	*			trans	-92.8	111.7	175.9	-64.5	175.4	0	0	0	106.9	A53 L57	A53-I55 HydrophobicContact CB-CD1 4.09Å; A53-I55 HydrophobicContact CB-CG1 3.72Å; A53-I55 PolarHBondContact O-N 3.29Å; I55-L57 PolarHBondContact O-N 3.37Å
56	D	29.8	Very low	43.3	Very low	150 Å²	150	131.1 Å²	131.1	80%	0.802	73%	0.725	S	S	*	*			trans	-29.8	114.1	167	-97.4	-41.1	0	0	0	113.3	H58	D56-H58 VanDerWaalsContact C-N 3.26Å; D56-H58 PolarHBondContact O-N 3.3Å
57	L	36.5	Very low	46.1	Very low	159 Å²	159	128.8 Å²	128.8	83%	0.832	72%	0.723	S	S	*	*	S	Bend	trans	-66.5	84.9	157.2	-82.2	118.9	0	0	0	108.1	I55	I55-L57 PolarHBondContact O-N 3.37Å
58	H	33.9	Very low	49.3	Very low	186 Å²	186	127.9 Å²	127.9	86%	0.861	72%	0.719	S	S	*	*			trans	-178.8	47.8	153.8	-86.8	-45	0	0	0	112.2	D56	D56-H58 VanDerWaalsContact C-N 3.26Å; D56-H58 PolarHBondContact O-N 3.3Å
59	N	38	Very low	52.7	Low	144 Å²	144	123.4 Å²	123.4	77%	0.77	70%	0.696	S	S	*	*			trans	-109.2	88.7	162.9	-109.8	-23	0	0	0	109.1	K61	N59-K61 PolarHBondContact O-N 2.93Å
60	D	42.9	Very low	56	Low	164 Å²	164	116.4 Å²	116.4	88%	0.877	66%	0.659	S	S	*	*			trans	-61.8	74.2	160.8	-109.8	-16.9	0	0	0	108.1	T62	D60-T62 PolarHBondContact O-N 3.02Å
61	K	50.7	Low	59.3	Low	170 Å²	170	113.5 Å²	113.5	74%	0.739	64%	0.636	S	S	*	*			trans	-66	95.9	161.6	-76.2	-173.8	178.7	-179.9	0	105.4	N59 T63	N59-K61 PolarHBondContact O-N 2.93Å; K61-T63 PolarHBondContact O-N 3.47Å; K61-T63 PolarHBondContact O-OG1 2.76Å
62	T	61.6	Low	62.5	Low	115 Å²	115	106.4 Å²	106.4	71%	0.706	60%	0.6	S	S	*	*			trans	-46.8	108.8	164.1	42.9	0	0	0	0	107.1	D60 I64	D60-T62 PolarHBondContact O-N 3.02Å; T62-I64 PolarHBondContact O-N 2.72Å; T62-I64 VanDerWaalsContact O-N 3.14Å
63	T	75	Confident	65.8	Low	73 Å²	73	107.6 Å²	107.6	45%	0.448	59%	0.59	S	S	.	*			trans	-72.1	108.4	178.6	-61.1	0	0	0	0	106.3	K61 I127 M129	K61-T63 PolarHBondContact O-N 3.47Å; K61-T63 PolarHBondContact O-OG1 2.76Å; T63-I127 HydrophobicContact CG2-CG2 4.41Å; T63-I127 VanDerWaalsContact O-CD1 3.32Å; T63-I127 WeakPolarHBondContact O-CD1 3.29Å; T63-M129 HydrophobicContact CG2-CG 3.67Å; T63-M129 HydrophobicContact CG2-SD 3.59Å; T63-M129 VanDerWaalsContact CG2-SD 3.59Å
64	I	85.3	Confident	69	Low	135 Å²	135	104.5 Å²	104.5	69%	0.692	56%	0.563	S	S	*	*	P	Polyproline II helix	trans	-99.1	125.6	-179.1	-61.8	168.2	0	0	0	107.6	T62	T62-I64 PolarHBondContact O-N 2.72Å; T62-I64 VanDerWaalsContact O-N 3.14Å
65	C	89.6	Confident	72.2	Confident	22 Å²	22	99.8 Å²	99.8	15%	0.149	54%	0.543	C	S	.	.	P	Polyproline II helix	trans	-72.5	133.5	170.2	-169.6	0	0	0	0	109.5	V71 C80	C65-V71 HydrophobicContact CB-CG2 3.92Å; C65-V71 WeakPolarHBondContact SG-CG2 3.47Å; C65-C80 VanDerWaalsContact CA-SG 3.52Å; C65-C80 HydrophobicContact CB-CB 3.65Å; C65-C80 WeakPolarHBondContact CB-SG 3.34Å; C65-C80 WeakPolarHBondContact SG-CB 3.39Å; C65-C80 CovalentContact SG-SG 2.03Å; C65-C80 PolarHBondContact SG-SG 2.84Å
66	S	89	Confident	75.2	Confident	61 Å²	61	93.8 Å²	93.8	43%	0.427	51%	0.513	S	S	.	.	P	Polyproline II helix	trans	-58.1	146.3	174.7	-175	0	0	0	0	110.8	D68 N69	S66-D68 PolarHBondContact O-N 2.96Å; S66-N69 PolarHBondContact O-N 2.71Å; S66-N69 VanDerWaalsContact O-N 3.09Å
67	S	85.3	Confident	78.4	Confident	116 Å²	116	86.6 Å²	86.6	81%	0.811	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-25.4	178	52.7	0	0	0	0	113.7	N69	S67-N69 VanDerWaalsContact C-N 3.34Å
68	D	89	Confident	81.3	Confident	125 Å²	125	80 Å²	80	67%	0.668	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-12.6	-179.4	-57.5	-31	0	0	0	112.6	S66	S66-D68 PolarHBondContact O-N 2.96Å
69	N	95.3	Very high	84.3	Confident	41 Å²	41	71.6 Å²	71.6	22%	0.219	40%	0.401	C	S	.	.	S	Bend	trans	-90.7	140.9	-178.2	-77.2	-1.4	0	0	0	111.2	S66 S67 G81	S66-N69 PolarHBondContact O-N 2.71Å; S66-N69 VanDerWaalsContact O-N 3.09Å; S67-N69 VanDerWaalsContact C-N 3.34Å; N69-G81 VanDerWaalsContact CB-O 3.32Å; N69-G81 WeakPolarHBondContact CB-O 3.25Å; N69-G81 VanDerWaalsContact CG-O 3.25Å; N69-G81 PolarHBondContact ND2-O 2.75Å
70	P	96.1	Very high	87.2	Confident	10 Å²	10	64.7 Å²	64.7	7%	0.065	36%	0.364	C	S	.	.			trans	-74.1	137.6	179.2	34.7	-39.5	0	0	0	111	G81 D97 Y99	P70-G81 PolarHBondContact O-N 2.85Å; P70-D97 HydrophobicContact CB-CB 3.92Å; P70-D97 WeakPolarHBondContact CB-OD2 3.41Å; P70-D97 HydrophobicContact CG-CB 3.74Å; P70-D97 WeakPolarHBondContact CG-OD1 3.45Å; P70-Y99 WeakPolarHBondContact CB-OH 3.3Å
71	V	96.8	Very high	89.8	Confident	65 Å²	65	56.9 Å²	56.9	39%	0.394	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	129.5	-178	-179.5	0	0	0	0	110.3	C65 I78 Y79	C65-V71 HydrophobicContact CB-CG2 3.92Å; C65-V71 WeakPolarHBondContact SG-CG2 3.47Å; V71-I78 HydrophobicContact CG1-CG2 3.48Å; V71-I78 VanDerWaalsContact CG1-CG2 3.48Å; V71-Y79 WeakPolarHBondContact CA-O 3.35Å
72	V	97.2	Very high	92	Very high	14 Å²	14	50.8 Å²	50.8	9%	0.085	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	128.4	174.8	169.6	0	0	0	0	110.2	T74 I78 Y79 Y99 H263 F264	V72-T74 HydrophobicContact CG1-CG2 4.08Å; V72-I78 CarbonylContact O-C 3.54Å; V72-I78 WeakPolarHBondContact O-CA 3.36Å; V72-Y79 PolarHBondContact N-O 2.65Å; V72-Y79 PolarHBondContact O-N 2.92Å; V72-Y99 HydrophobicContact CB-CE1 4.33Å; V72-Y99 HydrophobicContact CG2-CE1 4.12Å; V72-Y99 HydrophobicContact CG2-CE2 4.41Å; V72-Y99 WeakPolarHBondContact CG2-OH 3.33Å; V72-H263 HydrophobicContact CG1-CB 3.7Å; V72-F264 HydrophobicContact CB-CD1 4.18Å; V72-F264 HydrophobicContact CB-CE1 3.88Å; V72-F264 HydrophobicContact CB-CZ 4.13Å; V72-F264 HydrophobicContact CG1-CD1 4.02Å; V72-F264 HydrophobicContact CG1-CD2 3.92Å; V72-F264 HydrophobicContact CG1-CE1 3.81Å; V72-F264 HydrophobicContact CG1-CE2 3.71Å; V72-F264 HydrophobicContact CG1-CG 4.07Å; V72-F264 HydrophobicContact CG1-CZ 3.65Å; V72-F264 HydrophobicContact CG2-CD1 3.83Å; V72-F264 HydrophobicContact CG2-CE1 4Å; V72-F264 HydrophobicContact CG2-CG 4.36Å
73	H	97.3	Very high	93.7	Very high	117 Å²	117	50.9 Å²	50.9	54%	0.542	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	131.6	175.4	-67.6	-101.2	0	0	0	110	H263	H73-H263 WeakPolarHBondContact O-CB 3.31Å; H73-H263 PolarHBondContact O-CD2 2.9Å; H73-H263 VanDerWaalsContact O-CG 3.3Å
74	T	97.1	Very high	94.7	Very high	12 Å²	12	50.2 Å²	50.2	7%	0.074	28%	0.277	C	S	.	.			trans	-131.6	171.6	173.3	72.4	0	0	0	0	110	V72 V76 G77 Y79 H260 H263 F264	V72-T74 HydrophobicContact CG1-CG2 4.08Å; T74-V76 PolarHBondContact O-N 3.23Å; T74-V76 VanDerWaalsContact OG1-CG2 3.29Å; T74-V76 WeakPolarHBondContact OG1-CG2 3.46Å; T74-V76 PolarHBondContact OG1-N 3.37Å; T74-G77 PolarHBondContact N-O 3.33Å; T74-G77 PolarHBondContact OG1-N 2.93Å; T74-G77 VanDerWaalsContact OG1-N 3.13Å; T74-G77 PolarHBondContact OG1-O 2.95Å; T74-Y79 HydrophobicContact CG2-CD2 4.04Å; T74-Y79 HydrophobicContact CG2-CE2 3.91Å; T74-Y79 WeakPolarHBondContact OG1-CE2 3.26Å; T74-H260 HydrophobicContact CG2-CB 4.27Å; T74-H263 HydrophobicContact CG2-CB 4.26Å; T74-F264 HydrophobicContact CG2-CE2 4.05Å; T74-F264 HydrophobicContact CG2-CZ 4.49Å
75	S	96.2	Very high	95.2	Very high	73 Å²	73	48.2 Å²	48.2	51%	0.51	27%	0.267	S	S	.	.	S	Bend	trans	-69.8	-11.4	174.4	59.6	0	0	0	0	114.1	H260	S75-H260 PolarHBondContact OG-CE1 2.7Å
76	V	96.6	Very high	95.5	Very high	17 Å²	17	47.3 Å²	47.3	10%	0.103	26%	0.26	C	S	.	.	S	Bend	trans	-109.4	-11.7	-177.9	-64.7	0	0	0	0	113.5	T74 Y79 P122 E123 W256	T74-V76 PolarHBondContact O-N 3.23Å; T74-V76 VanDerWaalsContact OG1-CG2 3.29Å; T74-V76 WeakPolarHBondContact OG1-CG2 3.46Å; T74-V76 PolarHBondContact OG1-N 3.37Å; V76-Y79 HydrophobicContact CG2-CE2 4.45Å; V76-P122 HydrophobicContact CG1-CB 4.27Å; V76-P122 HydrophobicContact CG1-CG 4.42Å; V76-E123 CarbonylContact O-C 3.57Å; V76-E123 PolarHBondContact O-N 2.75Å; V76-W256 HydrophobicContact CG2-CZ2 4.46Å
77	G	96.6	Very high	95.7	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	27%	0.266	C	S	.	.			trans	167.8	169.2	-179.3	0	0	0	0	0	113.4	T74 E123	T74-G77 PolarHBondContact N-O 3.33Å; T74-G77 PolarHBondContact OG1-N 2.93Å; T74-G77 VanDerWaalsContact OG1-N 3.13Å; T74-G77 PolarHBondContact OG1-O 2.95Å; G77-E123 WeakPolarHBondContact CA-O 3.25Å
78	I	97.7	Very high	96.1	Very high	19 Å²	19	46.4 Å²	46.4	10%	0.097	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	124.5	171.2	-54.3	173	0	0	0	107.2	V71 V72 P124 K126 I127 F128	V71-I78 HydrophobicContact CG1-CG2 3.48Å; V71-I78 VanDerWaalsContact CG1-CG2 3.48Å; V72-I78 CarbonylContact O-C 3.54Å; V72-I78 WeakPolarHBondContact O-CA 3.36Å; I78-P124 WeakPolarHBondContact CG1-O 3.45Å; I78-K126 WeakPolarHBondContact CB-O 3.39Å; I78-K126 PolarHBondContact N-O 3.5Å; I78-I127 HydrophobicContact CB-CG1 4.09Å; I78-I127 HydrophobicContact CD1-CG1 4.25Å; I78-I127 HydrophobicContact CG2-CG1 4.14Å; I78-I127 CarbonylContact O-C 3.54Å; I78-I127 WeakPolarHBondContact O-CA 3.32Å; I78-F128 PolarHBondContact O-N 2.92Å
79	Y	97.9	Very high	96.1	Very high	10 Å²	10	43.9 Å²	43.9	4%	0.039	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	122.2	-176.8	-60.9	-75.9	0	0	0	110.8	V71 V72 T74 V76 I102 F128 A130 W256 F264	V71-Y79 WeakPolarHBondContact CA-O 3.35Å; V72-Y79 PolarHBondContact N-O 2.65Å; V72-Y79 PolarHBondContact O-N 2.92Å; T74-Y79 HydrophobicContact CG2-CD2 4.04Å; T74-Y79 HydrophobicContact CG2-CE2 3.91Å; T74-Y79 WeakPolarHBondContact OG1-CE2 3.26Å; V76-Y79 HydrophobicContact CG2-CE2 4.45Å; Y79-I102 HydrophobicContact CD1-CG1 3.86Å; Y79-I102 HydrophobicContact CD1-CG2 4.42Å; Y79-I102 HydrophobicContact CE1-CB 4.27Å; Y79-I102 HydrophobicContact CE1-CG1 4.02Å; Y79-I102 HydrophobicContact CE1-CG2 3.74Å; Y79-I102 HydrophobicContact CE2-CG2 4.35Å; Y79-I102 HydrophobicContact CG-CG1 4.3Å; Y79-F128 HydrophobicContact CD1-CB 3.85Å; Y79-F128 HydrophobicContact CD1-CD2 4.49Å; Y79-F128 HydrophobicContact CE1-CB 4.03Å; Y79-F128 HydrophobicContact CE1-CD2 4.08Å; Y79-F128 HydrophobicContact CE1-CG 4.24Å; Y79-A130 HydrophobicContact CD1-CB 4.44Å; Y79-W256 HydrophobicContact CE2-CH2 4.48Å; Y79-W256 AromaticContact CE2-CZ2 3.89Å; Y79-W256 HydrophobicContact CE2-CZ2 3.89Å; Y79-F264 HydrophobicContact CD2-CZ 4.17Å
80	C	97.9	Very high	95.4	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	108.2	174.1	179.7	0	0	0	0	109	C65 I127 F128 M129 A130	C65-C80 VanDerWaalsContact CA-SG 3.52Å; C65-C80 HydrophobicContact CB-CB 3.65Å; C65-C80 WeakPolarHBondContact CB-SG 3.34Å; C65-C80 WeakPolarHBondContact SG-CB 3.39Å; C65-C80 CovalentContact SG-SG 2.03Å; C65-C80 PolarHBondContact SG-SG 2.84Å; C80-I127 HydrophobicContact CB-CG2 4.21Å; C80-F128 PolarHBondContact N-O 3.02Å; C80-M129 HydrophobicContact CB-CE 4.25Å; C80-M129 HydrophobicContact CB-SD 3.92Å; C80-A130 CarbonylContact O-C 3.46Å; C80-A130 WeakPolarHBondContact O-CA 3.31Å; C80-A130 PolarHBondContact O-N 3.21Å
81	G	98.1	Very high	94.9	Very high	0 Å²	0	51 Å²	51	0%	0	27%	0.272	C	S	.	.			trans	-95.1	-158.9	-178.1	0	0	0	0	0	113.5	N69 P70 V98	N69-G81 VanDerWaalsContact CB-O 3.32Å; N69-G81 WeakPolarHBondContact CB-O 3.25Å; N69-G81 VanDerWaalsContact CG-O 3.25Å; N69-G81 PolarHBondContact ND2-O 2.75Å; P70-G81 PolarHBondContact O-N 2.85Å; G81-V98 CarbonylContact C-O 3.53Å; G81-V98 VanDerWaalsContact CA-O 3.23Å; G81-V98 WeakPolarHBondContact CA-O 3.4Å
82	L	97.4	Very high	94.6	Very high	41 Å²	41	53.3 Å²	53.3	22%	0.215	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	142	175.7	-64.7	173.2	0	0	0	110.1	D97 V98 D131	L82-D97 CarbonylContact O-C 3.6Å; L82-D97 WeakPolarHBondContact O-CA 3.27Å; L82-V98 PolarHBondContact N-O 2.99Å; L82-V98 PolarHBondContact O-N 2.88Å; L82-D131 HydrophobicContact CD1-CB 4.07Å; L82-D131 HydrophobicContact CD2-CB 3.88Å; L82-D131 HydrophobicContact CG-CB 3.82Å
83	R	96.8	Very high	94.4	Very high	117 Å²	117	54.8 Å²	54.8	44%	0.442	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	117.6	169.1	-178.7	158	-68.6	170.8	-1.2	109.8	M95 D97 I173	R83-M95 HydrophobicContact CG-SD 4.48Å; R83-D97 IonicContact CZ-OD1 3.23Å; R83-D97 IonicContact CZ-OD2 3.3Å; R83-D97 IonicContact NE-OD1 3.51Å; R83-D97 PolarHBondContact NE-OD1 2.83Å; R83-D97 IonicContact NE-OD2 3.29Å; R83-D97 IonicContact NH2-OD1 3.77Å; R83-D97 PolarHBondContact NH2-OD1 3.38Å; R83-D97 VanDerWaalsContact NH2-OD1 3.11Å; R83-D97 IonicContact NH2-OD2 2.67Å; R83-D97 PolarHBondContact NH2-OD2 2.97Å; R83-I173 HydrophobicContact CG-CD1 4.29Å; R83-I173 VanDerWaalsContact CZ-CD1 3.49Å
84	E	95.9	Very high	94.3	Very high	60 Å²	60	50.9 Å²	50.9	28%	0.28	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	143.8	-175.5	-71	-71.7	155.5	0	0	111.1	M95 V96 V98 R211	E84-M95 CarbonylContact O-C 3.6Å; E84-M95 VanDerWaalsContact O-CA 3.31Å; E84-M95 WeakPolarHBondContact O-CA 3.48Å; E84-V96 PolarHBondContact N-O 3.29Å; E84-V96 PolarHBondContact O-N 3.48Å; E84-V98 HydrophobicContact CB-CG2 4.18Å; E84-V98 HydrophobicContact CG-CG2 3.88Å; E84-R211 IonicContact OE2-NH1 3.76Å; E84-R211 PolarHBondContact OE2-NH1 2.92Å
85	I	95.5	Very high	94.2	Very high	93 Å²	93	53.5 Å²	53.5	48%	0.477	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	128.2	176.1	-57.5	176	0	0	0	109.1	A93 M95	I85-A93 HydrophobicContact CG2-CB 3.76Å; I85-M95 HydrophobicContact CG1-CG 4.49Å
86	V	95.9	Very high	94.2	Very high	2 Å²	2	50 Å²	50	1%	0.012	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	115.6	175.2	-177.5	0	0	0	0	108.9	W88 A93 S94 V96 R211 F212 A215	V86-W88 HydrophobicContact CB-CZ2 4.4Å; V86-W88 HydrophobicContact CG1-CD2 4.29Å; V86-W88 HydrophobicContact CG1-CH2 3.88Å; V86-W88 HydrophobicContact CG1-CZ2 3.48Å; V86-W88 VanDerWaalsContact CG1-CZ2 3.48Å; V86-W88 HydrophobicContact CG1-CZ3 4.46Å; V86-A93 CarbonylContact O-C 3.51Å; V86-A93 VanDerWaalsContact O-CA 3.3Å; V86-A93 WeakPolarHBondContact O-CA 3.09Å; V86-S94 PolarHBondContact N-O 3.15Å; V86-S94 PolarHBondContact O-N 2.74Å; V86-V96 HydrophobicContact CG2-CG2 3.81Å; V86-R211 HydrophobicContact CG2-CB 3.87Å; V86-F212 HydrophobicContact CG1-CD1 3.66Å; V86-F212 HydrophobicContact CG1-CE1 3.7Å; V86-A215 HydrophobicContact CB-CB 4.48Å; V86-A215 HydrophobicContact CG2-CB 4.26Å
87	H	93.4	Very high	94.3	Very high	120 Å²	120	50.1 Å²	50.1	56%	0.556	28%	0.275	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.5	130.5	177.4	-64.3	-76.8	0	0	0	110.9
88	W	94	Very high	94.4	Very high	39 Å²	39	50.1 Å²	50.1	15%	0.148	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	141	176.8	-55.1	101.1	0	0	0	110.3	V86 N90 S94 F212 A215 R216 F554	V86-W88 HydrophobicContact CB-CZ2 4.4Å; V86-W88 HydrophobicContact CG1-CD2 4.29Å; V86-W88 HydrophobicContact CG1-CH2 3.88Å; V86-W88 HydrophobicContact CG1-CZ2 3.48Å; V86-W88 VanDerWaalsContact CG1-CZ2 3.48Å; V86-W88 HydrophobicContact CG1-CZ3 4.46Å; W88-N90 PolarHBondContact O-N 2.88Å; W88-N90 VanDerWaalsContact O-N 3.13Å; W88-S94 PolarHBondContact NE1-OG 2.84Å; W88-F212 HydrophobicContact CH2-CB 4.17Å; W88-F212 HydrophobicContact CH2-CD1 4.08Å; W88-F212 HydrophobicContact CZ3-CD1 4.01Å; W88-A215 HydrophobicContact CZ2-CB 3.83Å; W88-R216 HydrophobicContact CH2-CB 3.69Å; W88-R216 HydrophobicContact CH2-CG 4.33Å; W88-R216 HydrophobicContact CZ2-CB 4.18Å; W88-R216 HydrophobicContact CZ3-CB 4.4Å; W88-F554 HydrophobicContact CE3-CB 4.25Å; W88-F554 AromaticContact CE3-CD1 3.92Å; W88-F554 HydrophobicContact CE3-CD1 3.92Å; W88-F554 HydrophobicContact CE3-CE1 4.47Å; W88-F554 HydrophobicContact CE3-CG 4.08Å; W88-F554 HydrophobicContact CZ3-CB 3.92Å; W88-F554 HydrophobicContact CZ3-CD1 4.07Å; W88-F554 HydrophobicContact CZ3-CD2 4.15Å; W88-F554 AromaticContact CZ3-CG 3.79Å; W88-F554 HydrophobicContact CZ3-CG 3.79Å
89	P	87.3	Confident	94.4	Very high	72 Å²	72	49.6 Å²	49.6	47%	0.468	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-32.8	-178.2	-29	35.4	0	0	0	115.1	F554	P89-F554 HydrophobicContact CG-CD1 4.43Å
90	N	82.4	Confident	94.5	Very high	162 Å²	162	50.6 Å²	50.6	87%	0.866	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-137.9	36.1	-174	-63.8	-42.7	0	0	0	112.8	W88	W88-N90 PolarHBondContact O-N 2.88Å; W88-N90 VanDerWaalsContact O-N 3.13Å
91	G	84.6	Confident	94.5	Very high	39 Å²	39	51.5 Å²	51.5	40%	0.402	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	168.1	-175.4	0	0	0	0	0	114.2
92	P	90.1	Very high	94.5	Very high	113 Å²	113	51.6 Å²	51.6	73%	0.734	29%	0.286	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.8	141.9	174.9	28.8	-34.5	0	0	0	109.7
93	A	93.2	Very high	94.6	Very high	44 Å²	44	53.1 Å²	53.1	36%	0.364	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.3	148.2	175.8	0	0	0	0	0	110.9	I85 V86	I85-A93 HydrophobicContact CG2-CB 3.76Å; V86-A93 CarbonylContact O-C 3.51Å; V86-A93 VanDerWaalsContact O-CA 3.3Å; V86-A93 WeakPolarHBondContact O-CA 3.09Å
94	S	94.8	Very high	94.7	Very high	36 Å²	36	47.6 Å²	47.6	25%	0.252	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	163.2	171.8	-53.5	0	0	0	0	109.8	V86 W88	V86-S94 PolarHBondContact N-O 3.15Å; V86-S94 PolarHBondContact O-N 2.74Å; W88-S94 PolarHBondContact NE1-OG 2.84Å
95	M	95.3	Very high	94.8	Very high	66 Å²	66	44.7 Å²	44.7	33%	0.325	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	147.4	174.4	-66.3	-178.8	-74.2	0	0	111.1	R83 E84 I85 I173	R83-M95 HydrophobicContact CG-SD 4.48Å; E84-M95 CarbonylContact O-C 3.6Å; E84-M95 VanDerWaalsContact O-CA 3.31Å; E84-M95 WeakPolarHBondContact O-CA 3.48Å; I85-M95 HydrophobicContact CG1-CG 4.49Å; M95-I173 HydrophobicContact CB-CB 4.14Å; M95-I173 HydrophobicContact CB-CD1 3.66Å; M95-I173 HydrophobicContact CB-CG1 4.15Å; M95-I173 PolarHBondContact O-N 2.7Å
96	V	97.5	Very high	94.9	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	129.1	177.2	-177.6	0	0	0	0	108.6	E84 V86 V98 W170 V171 R211 A215	E84-V96 PolarHBondContact N-O 3.29Å; E84-V96 PolarHBondContact O-N 3.48Å; V86-V96 HydrophobicContact CG2-CG2 3.81Å; V96-V98 HydrophobicContact CB-CG2 4.44Å; V96-V98 HydrophobicContact CG1-CG2 3.93Å; V96-W170 HydrophobicContact CG1-CB 4Å; V96-V171 CarbonylContact C-O 3.59Å; V96-V171 WeakPolarHBondContact CA-O 3.43Å; V96-V171 WeakPolarHBondContact CG1-O 3.24Å; V96-R211 HydrophobicContact CB-CG 4.47Å; V96-R211 HydrophobicContact CG1-CG 4.39Å; V96-R211 HydrophobicContact CG2-CB 4.47Å; V96-A215 HydrophobicContact CG2-CB 3.68Å
97	D	98.2	Very high	95	Very high	20 Å²	20	44.6 Å²	44.6	11%	0.107	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	125.9	167.4	-72.4	-22.5	0	0	0	108.7	P70 L82 R83 Y99 V171 I173	P70-D97 HydrophobicContact CB-CB 3.92Å; P70-D97 WeakPolarHBondContact CB-OD2 3.41Å; P70-D97 HydrophobicContact CG-CB 3.74Å; P70-D97 WeakPolarHBondContact CG-OD1 3.45Å; L82-D97 CarbonylContact O-C 3.6Å; L82-D97 WeakPolarHBondContact O-CA 3.27Å; R83-D97 IonicContact CZ-OD1 3.23Å; R83-D97 IonicContact CZ-OD2 3.3Å; R83-D97 IonicContact NE-OD1 3.51Å; R83-D97 PolarHBondContact NE-OD1 2.83Å; R83-D97 IonicContact NE-OD2 3.29Å; R83-D97 IonicContact NH2-OD1 3.77Å; R83-D97 PolarHBondContact NH2-OD1 3.38Å; R83-D97 VanDerWaalsContact NH2-OD1 3.11Å; R83-D97 IonicContact NH2-OD2 2.67Å; R83-D97 PolarHBondContact NH2-OD2 2.97Å; D97-Y99 HydrophobicContact CB-CE2 4.09Å; D97-V171 HydrophobicContact CB-CB 4.35Å; D97-V171 PolarHBondContact N-O 3.29Å; D97-V171 PolarHBondContact O-N 3.38Å; D97-I173 WeakPolarHBondContact OD1-CD1 3.27Å
98	V	98.5	Very high	95.3	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	132.3	-173.3	-169.3	0	0	0	0	110.1	G81 L82 E84 V96 Y100 I169 W170 R211	G81-V98 CarbonylContact C-O 3.53Å; G81-V98 VanDerWaalsContact CA-O 3.23Å; G81-V98 WeakPolarHBondContact CA-O 3.4Å; L82-V98 PolarHBondContact N-O 2.99Å; L82-V98 PolarHBondContact O-N 2.88Å; E84-V98 HydrophobicContact CB-CG2 4.18Å; E84-V98 HydrophobicContact CG-CG2 3.88Å; V96-V98 HydrophobicContact CB-CG2 4.44Å; V96-V98 HydrophobicContact CG1-CG2 3.93Å; V98-Y100 HydrophobicContact CB-CE2 4.41Å; V98-Y100 HydrophobicContact CG1-CD1 4.01Å; V98-Y100 HydrophobicContact CG1-CD2 3.97Å; V98-Y100 HydrophobicContact CG1-CE1 3.54Å; V98-Y100 HydrophobicContact CG1-CE2 3.49Å; V98-Y100 VanDerWaalsContact CG1-CE2 3.49Å; V98-Y100 HydrophobicContact CG1-CG 4.22Å; V98-I169 WeakPolarHBondContact CA-O 3.3Å; V98-W170 HydrophobicContact CG1-CG 4.35Å; V98-R211 HydrophobicContact CG2-CG 4.17Å
99	Y	98.7	Very high	95.5	Very high	7 Å²	7	40 Å²	40	3%	0.027	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	106.8	177.7	-56.1	-94.5	0	0	0	108.7	P70 V72 D97 A130 N168 I169 V171 F264	P70-Y99 WeakPolarHBondContact CB-OH 3.3Å; V72-Y99 HydrophobicContact CB-CE1 4.33Å; V72-Y99 HydrophobicContact CG2-CE1 4.12Å; V72-Y99 HydrophobicContact CG2-CE2 4.41Å; V72-Y99 WeakPolarHBondContact CG2-OH 3.33Å; D97-Y99 HydrophobicContact CB-CE2 4.09Å; Y99-A130 CarbonylContact C-O 3.51Å; Y99-A130 WeakPolarHBondContact CA-O 3.27Å; Y99-A130 HydrophobicContact CD1-CB 4.25Å; Y99-N168 CarbonylContact O-C 3.5Å; Y99-N168 WeakPolarHBondContact O-CA 3.44Å; Y99-I169 HydrophobicContact CD2-CB 4.48Å; Y99-I169 PolarHBondContact N-O 2.96Å; Y99-I169 PolarHBondContact O-N 3.12Å; Y99-V171 HydrophobicContact CD2-CG2 4.43Å; Y99-V171 HydrophobicContact CE2-CG2 4.15Å; Y99-F264 HydrophobicContact CD1-CE1 4.04Å; Y99-F264 AromaticContact CD2-CD1 3.86Å; Y99-F264 HydrophobicContact CD2-CD1 3.86Å; Y99-F264 AromaticContact CD2-CE1 3.77Å; Y99-F264 HydrophobicContact CD2-CE1 3.77Å; Y99-F264 HydrophobicContact CE1-CE1 4.21Å; Y99-F264 AromaticContact CE2-CD1 3.77Å; Y99-F264 HydrophobicContact CE2-CD1 3.77Å; Y99-F264 AromaticContact CE2-CE1 3.95Å; Y99-F264 HydrophobicContact CE2-CE1 3.95Å; Y99-F264 HydrophobicContact CG-CD1 4.38Å; Y99-F264 AromaticContact CG-CE1 3.82Å; Y99-F264 HydrophobicContact CG-CE1 3.82Å
100	Y	98.6	Very high	95.9	Very high	31 Å²	31	38.8 Å²	38.8	12%	0.122	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	149.2	177	-64.2	-56.8	0	0	0	111.5	V98 I102 A130 K132 L133 N168 W170	V98-Y100 HydrophobicContact CB-CE2 4.41Å; V98-Y100 HydrophobicContact CG1-CD1 4.01Å; V98-Y100 HydrophobicContact CG1-CD2 3.97Å; V98-Y100 HydrophobicContact CG1-CE1 3.54Å; V98-Y100 HydrophobicContact CG1-CE2 3.49Å; V98-Y100 VanDerWaalsContact CG1-CE2 3.49Å; V98-Y100 HydrophobicContact CG1-CG 4.22Å; Y100-I102 PolarHBondContact O-N 2.65Å; Y100-A130 PolarHBondContact N-O 3.08Å; Y100-A130 CarbonylContact O-C 3.36Å; Y100-A130 VanDerWaalsContact O-C 3.27Å; Y100-A130 WeakPolarHBondContact O-CA 3.45Å; Y100-A130 VanDerWaalsContact O-CB 3.29Å; Y100-A130 WeakPolarHBondContact O-CB 3.29Å; Y100-K132 WeakPolarHBondContact CB-O 3.47Å; Y100-L133 HydrophobicContact CD1-CD2 3.48Å; Y100-L133 VanDerWaalsContact CD1-CD2 3.48Å; Y100-L133 HydrophobicContact CD1-CG 4.39Å; Y100-L133 HydrophobicContact CD2-CD2 4.49Å; Y100-L133 HydrophobicContact CE1-CD2 3.53Å; Y100-L133 HydrophobicContact CG-CD2 3.99Å; Y100-L133 HydrophobicContact CG-CG 4.45Å; Y100-N168 WeakPolarHBondContact CA-OD1 3.44Å; Y100-N168 HydrophobicContact CD1-CB 3.94Å; Y100-W170 AromaticContact CE1-CE2 4Å; Y100-W170 HydrophobicContact CE1-CH2 4.39Å; Y100-W170 AromaticContact CE1-CZ2 3.64Å; Y100-W170 HydrophobicContact CE1-CZ2 3.64Å
101	G	98.3	Very high	96.6	Very high	20 Å²	20	35.1 Å²	35.1	21%	0.206	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	68.9	33.8	166.7	0	0	0	0	0	115.1	R103 F166 L167 N168	G101-R103 PolarHBondContact O-N 3.36Å; G101-F166 WeakPolarHBondContact O-CD1 3.43Å; G101-L167 PolarHBondContact N-O 2.86Å; G101-N168 PolarHBondContact N-OD1 3.05Å; G101-N168 VanDerWaalsContact N-OD1 3.08Å
102	I	98.6	Very high	97.2	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.005	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	121.1	173.1	-66.2	167.9	0	0	0	109.6	Y79 Y100 Y104 A130 F166 L167 I169 W256 F264	Y79-I102 HydrophobicContact CD1-CG1 3.86Å; Y79-I102 HydrophobicContact CD1-CG2 4.42Å; Y79-I102 HydrophobicContact CE1-CB 4.27Å; Y79-I102 HydrophobicContact CE1-CG1 4.02Å; Y79-I102 HydrophobicContact CE1-CG2 3.74Å; Y79-I102 HydrophobicContact CE2-CG2 4.35Å; Y79-I102 HydrophobicContact CG-CG1 4.3Å; Y100-I102 PolarHBondContact O-N 2.65Å; I102-Y104 PolarHBondContact O-N 3.25Å; I102-A130 HydrophobicContact CG1-CB 4.37Å; I102-F166 CarbonylContact O-C 3.52Å; I102-F166 WeakPolarHBondContact O-CA 3.45Å; I102-L167 HydrophobicContact CB-CD1 3.67Å; I102-L167 HydrophobicContact CB-CG 4Å; I102-L167 HydrophobicContact CD1-CD1 3.9Å; I102-L167 HydrophobicContact CG1-CD1 4.34Å; I102-L167 HydrophobicContact CG2-CD1 3.95Å; I102-L167 HydrophobicContact CG2-CG 4.15Å; I102-L167 PolarHBondContact N-O 3.05Å; I102-L167 PolarHBondContact O-N 3.21Å; I102-I169 HydrophobicContact CD1-CD1 3.69Å; I102-I169 HydrophobicContact CD1-CG1 4.09Å; I102-W256 HydrophobicContact CD1-CH2 4.15Å; I102-W256 HydrophobicContact CG2-CH2 3.66Å; I102-W256 HydrophobicContact CG2-CZ2 3.31Å; I102-W256 HydrophobicContact CG2-CZ3 4.4Å; I102-F264 HydrophobicContact CD1-CE1 4.21Å; I102-F264 HydrophobicContact CD1-CZ 3.98Å
103	R	98.3	Very high	97.6	Very high	73 Å²	73	30.9 Å²	30.9	28%	0.275	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	122.3	179.2	-177	178.2	-67.5	-77	4.1	111.1	G101 A105 P120 D163 F166	G101-R103 PolarHBondContact O-N 3.36Å; R103-A105 VanDerWaalsContact CD-O 3.31Å; R103-A105 WeakPolarHBondContact CD-O 3.41Å; R103-A105 WeakPolarHBondContact CG-O 3.16Å; R103-A105 PolarHBondContact NH1-O 3.42Å; R103-P120 HydrophobicContact CG-CB 4.29Å; R103-D163 IonicContact CZ-OD1 3.8Å; R103-D163 IonicContact CZ-OD2 3.94Å; R103-D163 IonicContact NH1-OD1 2.89Å; R103-D163 PolarHBondContact NH1-OD1 3.12Å; R103-D163 IonicContact NH1-OD2 2.66Å; R103-D163 VanDerWaalsContact NH2-CG 3.33Å; R103-D163 IonicContact NH2-OD1 2.69Å; R103-D163 PolarHBondContact NH2-OD1 3.27Å; R103-D163 IonicContact NH2-OD2 3.05Å; R103-D163 PolarHBondContact NH2-OD2 3.43Å; R103-F166 HydrophobicContact CB-CD1 3.88Å; R103-F166 HydrophobicContact CB-CE1 3.8Å; R103-F166 HydrophobicContact CG-CE1 4.33Å; R103-F166 VanDerWaalsContact NH2-CZ 3.28Å
104	Y	98.6	Very high	97.9	Very high	1 Å²	1	28.9 Å²	28.9	0%	0.004	17%	0.171	C	C	.	.			trans	-110.1	-7.4	174.5	74.1	-100	0	0	0	113.7	I102 P120 L165 L167 M224 N225 D249 L252 A253	I102-Y104 PolarHBondContact O-N 3.25Å; Y104-P120 VanDerWaalsContact O-CD 3.25Å; Y104-P120 WeakPolarHBondContact O-CD 3.34Å; Y104-L165 WeakPolarHBondContact CD1-O 3.5Å; Y104-L165 HydrophobicContact CE1-CB 4.19Å; Y104-L165 HydrophobicContact CE2-CB 4.28Å; Y104-L165 PolarHBondContact N-O 2.85Å; Y104-L165 WeakPolarHBondContact OH-CD2 3.32Å; Y104-L167 HydrophobicContact CD1-CB 4.18Å; Y104-L167 HydrophobicContact CD1-CD2 4.11Å; Y104-L167 HydrophobicContact CD1-CG 4.37Å; Y104-L167 HydrophobicContact CG-CD2 4.3Å; Y104-M224 HydrophobicContact CE1-CB 4.04Å; Y104-N225 WeakPolarHBondContact CE1-O 3.46Å; Y104-N225 PolarHBondContact OH-O 2.87Å; Y104-D249 VanDerWaalsContact CE2-O 3.26Å; Y104-D249 WeakPolarHBondContact CE2-O 3.21Å; Y104-L252 HydrophobicContact CD2-CB 4.29Å; Y104-L252 HydrophobicContact CD2-CG 4.26Å; Y104-L252 HydrophobicContact CE2-CB 4.4Å; Y104-A253 HydrophobicContact CD1-CB 3.94Å; Y104-A253 HydrophobicContact CD2-CB 3.77Å; Y104-A253 HydrophobicContact CE1-CB 3.92Å; Y104-A253 HydrophobicContact CE2-CB 3.79Å; Y104-A253 HydrophobicContact CG-CB 3.86Å
105	A	98.7	Very high	98	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	17%	0.171	C	C	.	.	S	Bend	trans	-146.3	156.2	175.1	0	0	0	0	0	111.6	R103 P117 V118 L165 L252	R103-A105 VanDerWaalsContact CD-O 3.31Å; R103-A105 WeakPolarHBondContact CD-O 3.41Å; R103-A105 WeakPolarHBondContact CG-O 3.16Å; R103-A105 PolarHBondContact NH1-O 3.42Å; A105-P117 HydrophobicContact CB-CB 4.1Å; A105-V118 CarbonylContact C-O 3.52Å; A105-V118 VanDerWaalsContact CA-O 3.32Å; A105-V118 WeakPolarHBondContact CA-O 3.3Å; A105-L165 HydrophobicContact CB-CB 3.84Å; A105-L165 HydrophobicContact CB-CD1 3.61Å; A105-L165 HydrophobicContact CB-CG 4.38Å; A105-L252 HydrophobicContact CB-CD2 3.87Å
106	Q	98.5	Very high	98.2	Very high	62 Å²	62	30 Å²	30	29%	0.29	17%	0.17	S	C	.	.			trans	-62.3	155.9	168.3	-62.9	-175.7	34.8	0	0	111	P108 L112 V118 E119	Q106-P108 WeakPolarHBondContact O-CD 3.42Å; Q106-L112 HydrophobicContact CB-CD1 4.12Å; Q106-V118 HydrophobicContact CB-CB 4.49Å; Q106-V118 HydrophobicContact CG-CB 4.41Å; Q106-V118 PolarHBondContact N-O 2.94Å; Q106-V118 VanDerWaalsContact NE2-CG1 3.34Å; Q106-E119 WeakPolarHBondContact CG-O 3.39Å; Q106-E119 PolarHBondContact NE2-O 3.37Å
107	S	98.1	Very high	98.2	Very high	31 Å²	31	31.3 Å²	31.3	22%	0.217	18%	0.178	C	C	.	.			trans	-56.3	121.2	176	-179.7	0	0	0	0	110.2	T109 L112 D163	S107-T109 PolarHBondContact O-N 3.27Å; S107-T109 WeakPolarHBondContact OG-CG2 3.3Å; S107-T109 PolarHBondContact OG-OG1 2.86Å; S107-L112 WeakPolarHBondContact O-CD1 3.19Å; S107-D163 WeakPolarHBondContact CA-OD1 3.34Å; S107-D163 WeakPolarHBondContact CB-OD1 3.29Å; S107-D163 WeakPolarHBondContact OG-CB 3.45Å
108	P	98.2	Very high	98.3	Very high	7 Å²	7	33.1 Å²	33.1	5%	0.045	19%	0.19	C	C	.	.			trans	-81.6	45.4	-176.6	36	-38.6	0	0	0	112.1	Q106 R113 E162 L165 R227	Q106-P108 WeakPolarHBondContact O-CD 3.42Å; P108-R113 WeakPolarHBondContact O-CA 3.39Å; P108-R113 PolarHBondContact O-N 3.48Å; P108-E162 VanDerWaalsContact CD-O 3.32Å; P108-E162 WeakPolarHBondContact CD-O 3.47Å; P108-E162 WeakPolarHBondContact CG-O 3.42Å; P108-L165 HydrophobicContact CB-CD1 4.09Å; P108-L165 HydrophobicContact CG-CD1 3.79Å; P108-L165 HydrophobicContact CG-CG 4.01Å; P108-R227 HydrophobicContact CG-CG 4.23Å
109	T	98.2	Very high	98.2	Very high	55 Å²	55	37.8 Å²	37.8	34%	0.337	21%	0.211	S	C	.	.			trans	-107.9	171.2	-176.1	53.9	0	0	0	0	111.8	S107 S111 L112 R113 E162	S107-T109 PolarHBondContact O-N 3.27Å; S107-T109 WeakPolarHBondContact OG-CG2 3.3Å; S107-T109 PolarHBondContact OG-OG1 2.86Å; T109-S111 PolarHBondContact O-N 3.15Å; T109-L112 WeakPolarHBondContact O-CB 3.45Å; T109-L112 PolarHBondContact O-N 3.15Å; T109-R113 PolarHBondContact O-N 3.08Å; T109-E162 HydrophobicContact CG2-CB 3.51Å; T109-E162 HydrophobicContact CG2-CG 4.49Å
110	G	96.4	Very high	98.1	Very high	47 Å²	47	38.4 Å²	38.4	49%	0.485	22%	0.216	S	C	.	.	G	3₁₀ helix	trans	56.6	-123	177	0	0	0	0	0	112.4	L112 R113 R344	G110-L112 VanDerWaalsContact C-N 3.26Å; G110-L112 PolarHBondContact O-N 2.92Å; G110-R113 WeakPolarHBondContact O-CB 3.49Å; G110-R113 PolarHBondContact O-N 2.78Å; G110-R344 WeakPolarHBondContact O-CD 3.34Å
111	S	96.5	Very high	98	Very high	85 Å²	85	42.7 Å²	42.7	59%	0.594	24%	0.24	S	C	*	.	G	3₁₀ helix	trans	-70.3	-18.6	178.2	58	0	0	0	0	114.1	T109 K115	T109-S111 PolarHBondContact O-N 3.15Å; S111-K115 WeakPolarHBondContact O-CD 3.27Å; S111-K115 VanDerWaalsContact O-CE 3.25Å; S111-K115 WeakPolarHBondContact O-CE 3.42Å
112	L	98.2	Very high	97.9	Very high	41 Å²	41	45.6 Å²	45.6	22%	0.215	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-86	-12.3	175.4	-62.1	-178.5	0	0	0	112.5	Q106 S107 T109 G110 F114 K115 V118	Q106-L112 HydrophobicContact CB-CD1 4.12Å; S107-L112 WeakPolarHBondContact O-CD1 3.19Å; T109-L112 WeakPolarHBondContact O-CB 3.45Å; T109-L112 PolarHBondContact O-N 3.15Å; G110-L112 VanDerWaalsContact C-N 3.26Å; G110-L112 PolarHBondContact O-N 2.92Å; L112-F114 PolarHBondContact O-N 2.79Å; L112-K115 WeakPolarHBondContact O-CB 3.29Å; L112-K115 PolarHBondContact O-N 3.33Å; L112-V118 HydrophobicContact CD2-CG2 3.9Å
113	R	98.5	Very high	97.8	Very high	22 Å²	22	49.1 Å²	49.1	8%	0.083	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	133.5	175.2	-169.5	-173.9	-71.9	170.4	1	110.3	P108 T109 G110 K115 E162 R344 K346	P108-R113 WeakPolarHBondContact O-CA 3.39Å; P108-R113 PolarHBondContact O-N 3.48Å; T109-R113 PolarHBondContact O-N 3.08Å; G110-R113 WeakPolarHBondContact O-CB 3.49Å; G110-R113 PolarHBondContact O-N 2.78Å; R113-K115 PolarHBondContact O-N 2.74Å; R113-E162 IonicContact CZ-OE1 2.8Å; R113-E162 IonicContact CZ-OE2 3.17Å; R113-E162 IonicContact NE-OE1 3.1Å; R113-E162 IonicContact NE-OE2 3.19Å; R113-E162 PolarHBondContact NE-OE2 2.89Å; R113-E162 IonicContact NH2-OE1 3.81Å; R113-E162 PolarHBondContact NH2-OE1 2.9Å; R113-E162 IonicContact NH2-OE2 2.78Å; R113-E162 PolarHBondContact NH2-OE2 2.98Å; R113-R344 HydrophobicContact CB-CG 4.29Å; R113-R344 PolarHBondContact NH1-O 2.83Å; R113-R344 VanDerWaalsContact NH1-O 3.14Å; R113-R344 PolarHBondContact O-NE 3.22Å; R113-R344 PolarHBondContact O-NH2 2.98Å; R113-K346 PolarHBondContact NH1-O 2.8Å
114	F	98.4	Very high	97.7	Very high	2 Å²	2	49 Å²	49	1%	0.009	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	66.6	1.8	-174.1	-46.5	-60.5	0	0	0	116.1	L112 S230 F231 L234 E240 A241 M245 I340 L343 R344 I351	L112-F114 PolarHBondContact O-N 2.79Å; F114-S230 WeakPolarHBondContact CD1-O 3.03Å; F114-S230 WeakPolarHBondContact CE1-O 3.41Å; F114-F231 HydrophobicContact CE1-CD1 4.49Å; F114-L234 HydrophobicContact CB-CD2 4.37Å; F114-L234 HydrophobicContact CD1-CB 4.19Å; F114-L234 HydrophobicContact CD1-CD2 4.1Å; F114-L234 HydrophobicContact CE1-CB 4.48Å; F114-L234 HydrophobicContact CG-CD2 4.09Å; F114-E240 CarbonylContact C-O 3.54Å; F114-A241 HydrophobicContact CB-CB 4.16Å; F114-A241 WeakPolarHBondContact O-CA 3.36Å; F114-M245 HydrophobicContact CB-CE 4.25Å; F114-M245 HydrophobicContact CD1-CE 4.35Å; F114-M245 WeakPolarHBondContact O-CG 3.44Å; F114-I340 HydrophobicContact CB-CD1 4.14Å; F114-I340 HydrophobicContact CD2-CD1 3.59Å; F114-I340 HydrophobicContact CE2-CD1 4.42Å; F114-I340 HydrophobicContact CG-CD1 4.22Å; F114-L343 HydrophobicContact CE2-CB 3.92Å; F114-R344 HydrophobicContact CD2-CG 3.97Å; F114-R344 HydrophobicContact CE2-CG 4.19Å; F114-I351 HydrophobicContact CZ-CD1 4.2Å
115	K	98.3	Very high	97.5	Very high	54 Å²	54	58.1 Å²	58.1	24%	0.235	32%	0.32	C	S	.	.	S	Bend	trans	-87.8	165.2	172.6	-62.7	-163.9	175	-158.5	0	112.1	S111 L112 R113 R227 E240 M245	S111-K115 WeakPolarHBondContact O-CD 3.27Å; S111-K115 VanDerWaalsContact O-CE 3.25Å; S111-K115 WeakPolarHBondContact O-CE 3.42Å; L112-K115 WeakPolarHBondContact O-CB 3.29Å; L112-K115 PolarHBondContact O-N 3.33Å; R113-K115 PolarHBondContact O-N 2.74Å; K115-R227 VanDerWaalsContact O-CZ 3.3Å; K115-R227 PolarHBondContact O-NH1 2.83Å; K115-R227 PolarHBondContact O-NH2 3.01Å; K115-E240 WeakPolarHBondContact CE-OE1 3.49Å; K115-E240 WeakPolarHBondContact CE-OE2 3.44Å; K115-E240 VanDerWaalsContact NZ-CD 3.29Å; K115-E240 IonicContact NZ-OE1 3.87Å; K115-E240 PolarHBondContact NZ-OE1 2.84Å; K115-E240 IonicContact NZ-OE2 3.09Å; K115-E240 PolarHBondContact NZ-OE2 2.89Å; K115-E240 VanDerWaalsContact NZ-OE2 3.13Å; K115-M245 WeakPolarHBondContact O-CG 3.16Å
116	K	98.4	Very high	97.4	Very high	72 Å²	72	62.6 Å²	62.6	31%	0.313	34%	0.34	S	S	.	.	P	Polyproline II helix	trans	-54.7	145.5	164.3	-64.1	-170.6	-177.5	-170.3	0	109.9	P242 W248 N376	K116-P242 HydrophobicContact CG-CG 4Å; K116-W248 HydrophobicContact CD-CD2 4.02Å; K116-W248 HydrophobicContact CD-CG 4.15Å; K116-W248 HydrophobicContact CG-CD2 4.48Å; K116-W248 HydrophobicContact CG-CG 4.07Å; K116-N376 PolarHBondContact NZ-ND2 3.02Å
117	P	98.7	Very high	97.3	Very high	26 Å²	26	62.4 Å²	62.4	17%	0.169	34%	0.34	C	S	.	.	P	Polyproline II helix	trans	-63.6	153.7	178.2	31.1	-37.7	0	0	0	111.2	A105 L165 W248 D249 L252	A105-P117 HydrophobicContact CB-CB 4.1Å; P117-L165 HydrophobicContact CB-CD1 4.4Å; P117-W248 VanDerWaalsContact CD-CB 3.48Å; P117-W248 HydrophobicContact CG-CB 4.08Å; P117-W248 WeakPolarHBondContact CG-O 3.42Å; P117-D249 VanDerWaalsContact CB-OD1 3.25Å; P117-D249 WeakPolarHBondContact CB-OD1 3.36Å; P117-D249 WeakPolarHBondContact CD-OD1 3.44Å; P117-D249 VanDerWaalsContact CG-OD1 3.3Å; P117-D249 WeakPolarHBondContact CG-OD1 3.16Å; P117-L252 HydrophobicContact CB-CD2 3.76Å; P117-L252 HydrophobicContact CG-CB 4.11Å; P117-L252 HydrophobicContact CG-CD2 3.94Å
118	V	98.6	Very high	97.3	Very high	58 Å²	58	63.7 Å²	63.7	35%	0.352	34%	0.342	S	S	.	.			trans	-115.8	137.9	177.8	-174.9	0	0	0	0	108.6	A105 Q106 L112	A105-V118 CarbonylContact C-O 3.52Å; A105-V118 VanDerWaalsContact CA-O 3.32Å; A105-V118 WeakPolarHBondContact CA-O 3.3Å; Q106-V118 HydrophobicContact CB-CB 4.49Å; Q106-V118 HydrophobicContact CG-CB 4.41Å; Q106-V118 PolarHBondContact N-O 2.94Å; Q106-V118 VanDerWaalsContact NE2-CG1 3.34Å; L112-V118 HydrophobicContact CD2-CG2 3.9Å
119	E	98.3	Very high	97.2	Very high	98 Å²	98	66.8 Å²	66.8	46%	0.458	36%	0.357	S	S	.	.	P	Polyproline II helix	trans	-54.4	142.8	175.5	-79	-177.7	-178.8	0	0	111.6	Q106 L252 K255	Q106-E119 WeakPolarHBondContact CG-O 3.39Å; Q106-E119 PolarHBondContact NE2-O 3.37Å; E119-L252 HydrophobicContact CG-CD1 3.64Å; E119-L252 HydrophobicContact CG-CD2 4.37Å; E119-K255 WeakPolarHBondContact OE1-CD 3.31Å; E119-K255 WeakPolarHBondContact OE1-CE 3.1Å; E119-K255 IonicContact OE1-NZ 2.65Å; E119-K255 PolarHBondContact OE1-NZ 3.5Å
120	P	96.2	Very high	97.2	Very high	20 Å²	20	64.2 Å²	64.2	13%	0.13	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-63.7	150.4	177.6	29.4	-34.5	0	0	0	109.7	R103 Y104 P122	R103-P120 HydrophobicContact CG-CB 4.29Å; Y104-P120 VanDerWaalsContact O-CD 3.25Å; Y104-P120 WeakPolarHBondContact O-CD 3.34Å; P120-P122 VanDerWaalsContact O-CD 3.27Å; P120-P122 WeakPolarHBondContact O-CD 3.41Å
121	I	95.9	Very high	97.2	Very high	121 Å²	121	64.3 Å²	64.3	62%	0.621	33%	0.33	S	S	*	.	P	Polyproline II helix	trans	-67.4	121.4	174	-60.4	172.4	0	0	0	107.6	E123	I121-E123 PolarHBondContact O-N 3.45Å
122	P	96.8	Very high	97.2	Very high	81 Å²	81	67.8 Å²	67.8	53%	0.526	34%	0.335	S	S	.	.	P	Polyproline II helix	trans	-66.3	128.2	-179.2	-22.6	34.4	0	0	0	111.9	V76 P120	V76-P122 HydrophobicContact CG1-CB 4.27Å; V76-P122 HydrophobicContact CG1-CG 4.42Å; P120-P122 VanDerWaalsContact O-CD 3.27Å; P120-P122 WeakPolarHBondContact O-CD 3.41Å
123	E	96.7	Very high	97.2	Very high	75 Å²	75	69.1 Å²	69.1	35%	0.35	34%	0.342	S	S	.	.			trans	-128.3	65.8	176.7	-63.5	-176.2	83.9	0	0	110.1	V76 G77 I121 K125 K126 F128	V76-E123 CarbonylContact O-C 3.57Å; V76-E123 PolarHBondContact O-N 2.75Å; G77-E123 WeakPolarHBondContact CA-O 3.25Å; I121-E123 PolarHBondContact O-N 3.45Å; E123-K125 PolarHBondContact O-N 3.42Å; E123-K126 HydrophobicContact CB-CB 3.76Å; E123-K126 HydrophobicContact CB-CD 4.08Å; E123-K126 HydrophobicContact CG-CD 4.36Å; E123-K126 WeakPolarHBondContact O-CB 3.4Å; E123-K126 PolarHBondContact O-N 3.46Å; E123-K126 WeakPolarHBondContact OE1-CD 3.17Å; E123-K126 IonicContact OE1-NZ 2.94Å; E123-K126 PolarHBondContact OE1-NZ 2.77Å; E123-K126 IonicContact OE2-NZ 2.77Å; E123-K126 PolarHBondContact OE2-NZ 2.67Å; E123-F128 HydrophobicContact CB-CE2 4.31Å; E123-F128 HydrophobicContact CB-CZ 4.18Å
124	P	95.4	Very high	97.2	Very high	71 Å²	71	68.3 Å²	68.3	46%	0.461	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-16.4	-166.2	23.4	-35.3	0	0	0	115.6	I78	I78-P124 WeakPolarHBondContact CG1-O 3.45Å
125	K	95.4	Very high	97.2	Very high	193 Å²	193	70.1 Å²	70.1	84%	0.839	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.9	-10.5	177.9	-63.2	-175.6	179.8	-179.3	0	113.3	E123	E123-K125 PolarHBondContact O-N 3.42Å
126	K	96.4	Very high	97.2	Very high	93 Å²	93	67.6 Å²	67.6	40%	0.404	34%	0.341	S	S	.	.	P	Polyproline II helix	trans	-84.9	135.8	-176.7	-177.1	171.3	175.4	-177.6	0	110.2	I78 E123 F128	I78-K126 WeakPolarHBondContact CB-O 3.39Å; I78-K126 PolarHBondContact N-O 3.5Å; E123-K126 HydrophobicContact CB-CB 3.76Å; E123-K126 HydrophobicContact CB-CD 4.08Å; E123-K126 HydrophobicContact CG-CD 4.36Å; E123-K126 WeakPolarHBondContact O-CB 3.4Å; E123-K126 PolarHBondContact O-N 3.46Å; E123-K126 WeakPolarHBondContact OE1-CD 3.17Å; E123-K126 IonicContact OE1-NZ 2.94Å; E123-K126 PolarHBondContact OE1-NZ 2.77Å; E123-K126 IonicContact OE2-NZ 2.77Å; E123-K126 PolarHBondContact OE2-NZ 2.67Å; K126-F128 HydrophobicContact CB-CE2 4.14Å; K126-F128 HydrophobicContact CB-CZ 4.37Å; K126-F128 HydrophobicContact CD-CE1 3.94Å; K126-F128 HydrophobicContact CD-CE2 4.24Å; K126-F128 HydrophobicContact CD-CZ 3.68Å; K126-F128 HydrophobicContact CG-CE1 4.39Å; K126-F128 HydrophobicContact CG-CE2 4.16Å; K126-F128 HydrophobicContact CG-CZ 4.08Å
127	I	96.4	Very high	97.3	Very high	58 Å²	58	64.2 Å²	64.2	30%	0.297	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	121.5	173.3	-61.7	169.2	0	0	0	108.2	T63 I78 C80	T63-I127 HydrophobicContact CG2-CG2 4.41Å; T63-I127 VanDerWaalsContact O-CD1 3.32Å; T63-I127 WeakPolarHBondContact O-CD1 3.29Å; I78-I127 HydrophobicContact CB-CG1 4.09Å; I78-I127 HydrophobicContact CD1-CG1 4.25Å; I78-I127 HydrophobicContact CG2-CG1 4.14Å; I78-I127 CarbonylContact O-C 3.54Å; I78-I127 WeakPolarHBondContact O-CA 3.32Å; C80-I127 HydrophobicContact CB-CG2 4.21Å
128	F	96.7	Very high	97.3	Very high	58 Å²	58	63.1 Å²	63.1	25%	0.254	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	125.5	171	-63.6	-82.9	0	0	0	108.8	I78 Y79 C80 E123 K126 A130	I78-F128 PolarHBondContact O-N 2.92Å; Y79-F128 HydrophobicContact CD1-CB 3.85Å; Y79-F128 HydrophobicContact CD1-CD2 4.49Å; Y79-F128 HydrophobicContact CE1-CB 4.03Å; Y79-F128 HydrophobicContact CE1-CD2 4.08Å; Y79-F128 HydrophobicContact CE1-CG 4.24Å; C80-F128 PolarHBondContact N-O 3.02Å; E123-F128 HydrophobicContact CB-CE2 4.31Å; E123-F128 HydrophobicContact CB-CZ 4.18Å; K126-F128 HydrophobicContact CB-CE2 4.14Å; K126-F128 HydrophobicContact CB-CZ 4.37Å; K126-F128 HydrophobicContact CD-CE1 3.94Å; K126-F128 HydrophobicContact CD-CE2 4.24Å; K126-F128 HydrophobicContact CD-CZ 3.68Å; K126-F128 HydrophobicContact CG-CE1 4.39Å; K126-F128 HydrophobicContact CG-CE2 4.16Å; K126-F128 HydrophobicContact CG-CZ 4.08Å; F128-A130 PolarHBondContact O-N 3.29Å
129	M	97.2	Very high	97.2	Very high	73 Å²	73	60.7 Å²	60.7	36%	0.36	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	109	171.1	-60.9	-55.9	-60.6	0	0	108.5	T63 C80 D131	T63-M129 HydrophobicContact CG2-CG 3.67Å; T63-M129 HydrophobicContact CG2-SD 3.59Å; T63-M129 VanDerWaalsContact CG2-SD 3.59Å; C80-M129 HydrophobicContact CB-CE 4.25Å; C80-M129 HydrophobicContact CB-SD 3.92Å; M129-D131 VanDerWaalsContact C-N 3.34Å; M129-D131 WeakPolarHBondContact CE-OD2 3.4Å
130	A	97.6	Very high	97.1	Very high	1 Å²	1	56.7 Å²	56.7	1%	0.008	29%	0.286	C	S	.	.			trans	-102.2	45	179.6	0	0	0	0	0	110.2	Y79 C80 Y99 Y100 I102 F128	Y79-A130 HydrophobicContact CD1-CB 4.44Å; C80-A130 CarbonylContact O-C 3.46Å; C80-A130 WeakPolarHBondContact O-CA 3.31Å; C80-A130 PolarHBondContact O-N 3.21Å; Y99-A130 CarbonylContact C-O 3.51Å; Y99-A130 WeakPolarHBondContact CA-O 3.27Å; Y99-A130 HydrophobicContact CD1-CB 4.25Å; Y100-A130 PolarHBondContact N-O 3.08Å; Y100-A130 CarbonylContact O-C 3.36Å; Y100-A130 VanDerWaalsContact O-C 3.27Å; Y100-A130 WeakPolarHBondContact O-CA 3.45Å; Y100-A130 VanDerWaalsContact O-CB 3.29Å; Y100-A130 WeakPolarHBondContact O-CB 3.29Å; I102-A130 HydrophobicContact CG1-CB 4.37Å; F128-A130 PolarHBondContact O-N 3.29Å
131	D	96.1	Very high	96.9	Very high	48 Å²	48	64.5 Å²	64.5	26%	0.257	32%	0.318	S	S	.	.			trans	-113.8	4	-169.8	62.5	-6	0	0	0	113.3	L82 M129	L82-D131 HydrophobicContact CD1-CB 4.07Å; L82-D131 HydrophobicContact CD2-CB 3.88Å; L82-D131 HydrophobicContact CG-CB 3.82Å; M129-D131 VanDerWaalsContact C-N 3.34Å; M129-D131 WeakPolarHBondContact CE-OD2 3.4Å
132	K	97.4	Very high	96.6	Very high	158 Å²	158	60 Å²	60	69%	0.687	30%	0.295	S	S	*	.	S	Bend	trans	-132.7	136.4	-177.9	-69.8	173.9	-172.9	176.5	0	111.4	Y100	Y100-K132 WeakPolarHBondContact CB-O 3.47Å
133	L	98.4	Very high	96.2	Very high	70 Å²	70	61 Å²	61	37%	0.366	30%	0.3	S	S	.	.	P	Polyproline II helix	trans	-56.7	134.4	172.9	-70.7	168.8	0	0	0	110.5	Y100 T158 T204	Y100-L133 HydrophobicContact CD1-CD2 3.48Å; Y100-L133 VanDerWaalsContact CD1-CD2 3.48Å; Y100-L133 HydrophobicContact CD1-CG 4.39Å; Y100-L133 HydrophobicContact CD2-CD2 4.49Å; Y100-L133 HydrophobicContact CE1-CD2 3.53Å; Y100-L133 HydrophobicContact CG-CD2 3.99Å; Y100-L133 HydrophobicContact CG-CG 4.45Å; L133-T158 HydrophobicContact CB-CG2 3.73Å; L133-T158 HydrophobicContact CD1-CG2 4.46Å; L133-T204 HydrophobicContact CB-CG2 4.1Å; L133-T204 HydrophobicContact CD2-CG2 4.12Å
134	P	98.2	Very high	95.8	Very high	4 Å²	4	60.1 Å²	60.1	3%	0.026	30%	0.296	C	S	.	.	P	Polyproline II helix	trans	-69.9	160.2	-177.3	26.5	-34	0	0	0	112.8	T158 F166 N168 T204	P134-T158 WeakPolarHBondContact O-CB 3.36Å; P134-T158 WeakPolarHBondContact O-CG2 3.29Å; P134-T158 PolarHBondContact O-OG1 2.79Å; P134-F166 HydrophobicContact CB-CB 3.52Å; P134-F166 HydrophobicContact CB-CD2 3.7Å; P134-F166 HydrophobicContact CB-CG 3.75Å; P134-F166 HydrophobicContact CG-CB 3.93Å; P134-N168 VanDerWaalsContact CD-OD1 3.24Å; P134-N168 WeakPolarHBondContact CD-OD1 3.27Å; P134-T204 HydrophobicContact CG-CG2 3.83Å
135	P	98.6	Very high	95.4	Very high	41 Å²	41	57.2 Å²	57.2	27%	0.266	28%	0.277	S	S	.	.	P	Polyproline II helix	trans	-58	143.2	169.7	-23	34.2	0	0	0	112.4	P159 C164 N225	P135-P159 CarbonylContact C-O 3.48Å; P135-P159 VanDerWaalsContact CA-O 3.29Å; P135-P159 WeakPolarHBondContact CA-O 3.3Å; P135-P159 WeakPolarHBondContact CB-O 3.37Å; P135-C164 WeakPolarHBondContact O-CB 3.23Å; P135-N225 PolarHBondContact O-ND2 2.82Å
136	T	98.7	Very high	95.1	Very high	1 Å²	1	50.1 Å²	50.1	1%	0.006	25%	0.246	C	C	.	.	B	Isolated β-bridge	trans	-77	140.7	173.8	-70.4	0	0	0	0	110.1	P156 T158 P159 M160 S161 T202	T136-P156 HydrophobicContact CG2-CB 3.86Å; T136-P156 HydrophobicContact CG2-CG 4.01Å; T136-T158 PolarHBondContact N-OG1 3.04Å; T136-T158 VanDerWaalsContact N-OG1 3.13Å; T136-T158 PolarHBondContact OG1-OG1 3.02Å; T136-P159 PolarHBondContact N-O 2.61Å; T136-M160 CarbonylContact O-C 3.58Å; T136-M160 VanDerWaalsContact O-CA 3.3Å; T136-M160 WeakPolarHBondContact O-CA 3.19Å; T136-S161 PolarHBondContact O-N 2.96Å; T136-T202 HydrophobicContact CG2-CG2 4.38Å; T136-T202 WeakPolarHBondContact OG1-CB 3.34Å; T136-T202 PolarHBondContact OG1-OG1 3.4Å
137	C	98.8	Very high	94.6	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-66	153.9	175.8	-64.9	0	0	0	0	112.3	Q139 C164 Y226 L228	C137-Q139 PolarHBondContact O-N 2.86Å; C137-Q139 PolarHBondContact O-NE2 2.73Å; C137-C164 WeakPolarHBondContact CA-SG 3.48Å; C137-C164 HydrophobicContact CB-CB 3.88Å; C137-C164 WeakPolarHBondContact CB-SG 3.32Å; C137-C164 WeakPolarHBondContact SG-CB 3.12Å; C137-C164 CovalentContact SG-SG 2.03Å; C137-C164 PolarHBondContact SG-SG 2.82Å; C137-Y226 PolarHBondContact SG-O 3.27Å; C137-L228 HydrophobicContact CB-CD1 4.44Å
138	P	98.7	Very high	94.3	Very high	3 Å²	3	50 Å²	50	2%	0.019	25%	0.252	C	S	.	.	S	Bend	trans	-59.6	130.8	-178.3	-22.8	34.5	0	0	0	113.9	M160 S161 E162 F231 I348	P138-M160 VanDerWaalsContact CA-SD 3.53Å; P138-M160 HydrophobicContact CB-CG 4.27Å; P138-M160 HydrophobicContact CB-SD 4.12Å; P138-M160 HydrophobicContact CG-CG 4.46Å; P138-S161 WeakPolarHBondContact CD-O 3.26Å; P138-E162 HydrophobicContact CG-CB 4.35Å; P138-E162 HydrophobicContact CG-CG 3.52Å; P138-F231 HydrophobicContact CB-CD2 4.07Å; P138-F231 HydrophobicContact CB-CE2 3.74Å; P138-F231 HydrophobicContact CB-CZ 4.18Å; P138-F231 HydrophobicContact CG-CE2 4.42Å; P138-I348 HydrophobicContact CB-CG2 3.74Å; P138-I348 HydrophobicContact CG-CD1 4.16Å; P138-I348 HydrophobicContact CG-CG1 4.39Å; P138-I348 HydrophobicContact CG-CG2 4.23Å
139	Q	98.2	Very high	94.1	Very high	7 Å²	7	47.5 Å²	47.5	3%	0.033	24%	0.243	C	C	.	.			trans	-160.7	158.5	-176.6	61.3	-166.8	-91.2	0	0	111.7	C137 P156 Y199 M200 G201 L228	C137-Q139 PolarHBondContact O-N 2.86Å; C137-Q139 PolarHBondContact O-NE2 2.73Å; Q139-P156 HydrophobicContact CG-CG 4.42Å; Q139-Y199 WeakPolarHBondContact CB-O 3.31Å; Q139-M200 HydrophobicContact CB-CG 4.18Å; Q139-M200 VanDerWaalsContact OE1-CA 3.26Å; Q139-G201 PolarHBondContact NE2-O 2.74Å; Q139-L228 HydrophobicContact CB-CD1 4.33Å
140	P	95.6	Very high	94	Very high	15 Å²	15	44 Å²	44	10%	0.097	23%	0.226	C	C	.	.	P	Polyproline II helix	trans	-58.2	151.7	169.5	-22.3	34.3	0	0	0	112.2	Y199	P140-Y199 WeakPolarHBondContact CD-O 3.39Å; P140-Y199 HydrophobicContact CG-CD2 4.3Å
141	K	91.4	Very high	93.7	Very high	183 Å²	183	44 Å²	44	80%	0.796	23%	0.225	S	C	*	.	P	Polyproline II helix	trans	-91.6	122.8	176.6	-67.8	-179	-179.8	177.3	0	110.3	T143	K141-T143 PolarHBondContact O-N 3.31Å
142	D	90.2	Very high	93.7	Very high	26 Å²	26	46.5 Å²	46.5	14%	0.139	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-71.8	123.1	168.2	-170.3	3.4	0	0	0	110.2	M144 Q146 V155 M200 Y413	D142-M144 WeakPolarHBondContact OD1-CB 3.36Å; D142-M144 PolarHBondContact OD1-N 3.46Å; D142-Q146 VanDerWaalsContact CG-NE2 3.34Å; D142-Q146 PolarHBondContact OD2-NE2 2.79Å; D142-V155 HydrophobicContact CB-CG2 4.5Å; D142-M200 HydrophobicContact CB-CE 3.76Å; D142-Y413 WeakPolarHBondContact OD2-CE1 3.38Å; D142-Y413 PolarHBondContact OD2-OH 3.4Å
143	T	88.5	Confident	93.6	Very high	102 Å²	102	39 Å²	39	63%	0.626	20%	0.199	S	C	*	.			trans	-118.8	-0.6	176.7	58.1	0	0	0	0	112.3	K141	K141-T143 PolarHBondContact O-N 3.31Å
144	M	87.4	Confident	93.5	Very high	57 Å²	57	37.8 Å²	37.8	28%	0.281	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	138.7	-176.8	-67.2	-68.6	-72.8	0	0	110.7	D142 Q146 Y413 N418	D142-M144 WeakPolarHBondContact OD1-CB 3.36Å; D142-M144 PolarHBondContact OD1-N 3.46Å; M144-Q146 PolarHBondContact O-N 3.42Å; M144-Q146 PolarHBondContact O-NE2 3.08Å; M144-Y413 HydrophobicContact CB-CD1 4.26Å; M144-Y413 HydrophobicContact CB-CE1 3.91Å; M144-N418 HydrophobicContact CE-CB 3.77Å; M144-N418 HydrophobicContact SD-CB 3.81Å
145	F	87.2	Confident	93.4	Very high	11 Å²	11	39.7 Å²	39.7	5%	0.048	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.9	21	175.4	-46.9	-71.1	0	0	0	116.2	N147 S148 A151 L412 Y413 V416 N418 W421	F145-N147 PolarHBondContact O-N 3.4Å; F145-S148 WeakPolarHBondContact O-CB 3.39Å; F145-S148 PolarHBondContact O-N 2.88Å; F145-A151 HydrophobicContact CB-CB 4.01Å; F145-A151 WeakPolarHBondContact O-CB 3.46Å; F145-L412 HydrophobicContact CD2-CG 4.42Å; F145-L412 HydrophobicContact CE1-CD1 3.88Å; F145-L412 HydrophobicContact CE1-CG 4.44Å; F145-L412 HydrophobicContact CE2-CD1 4.21Å; F145-L412 HydrophobicContact CE2-CG 3.94Å; F145-L412 HydrophobicContact CZ-CD1 3.7Å; F145-L412 HydrophobicContact CZ-CG 3.95Å; F145-Y413 HydrophobicContact CD2-CD2 4.12Å; F145-Y413 HydrophobicContact CD2-CE1 4.33Å; F145-Y413 AromaticContact CD2-CE2 3.84Å; F145-Y413 HydrophobicContact CD2-CE2 3.84Å; F145-Y413 HydrophobicContact CD2-CG 4.5Å; F145-Y413 AromaticContact CD2-CZ 3.98Å; F145-Y413 HydrophobicContact CE2-CD1 4.42Å; F145-Y413 AromaticContact CE2-CD2 3.99Å; F145-Y413 HydrophobicContact CE2-CD2 3.99Å; F145-Y413 HydrophobicContact CE2-CE2 4.19Å; F145-Y413 HydrophobicContact CE2-CG 4.12Å; F145-V416 HydrophobicContact CE1-CG1 4.33Å; F145-V416 HydrophobicContact CZ-CB 4.3Å; F145-V416 HydrophobicContact CZ-CG1 4.5Å; F145-N418 WeakPolarHBondContact CA-OD1 3.43Å; F145-N418 PolarHBondContact N-OD1 3.44Å; F145-W421 HydrophobicContact CD1-CE3 4.42Å; F145-W421 HydrophobicContact CE1-CE3 4.36Å
146	Q	88.5	Confident	93.3	Very high	43 Å²	43	39.6 Å²	39.6	20%	0.201	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-5.8	-174.8	-59.6	-56.6	-40.3	0	0	114.8	D142 M144 S148 R152	D142-Q146 VanDerWaalsContact CG-NE2 3.34Å; D142-Q146 PolarHBondContact OD2-NE2 2.79Å; M144-Q146 PolarHBondContact O-N 3.42Å; M144-Q146 PolarHBondContact O-NE2 3.08Å; Q146-S148 VanDerWaalsContact C-N 3.33Å; Q146-R152 HydrophobicContact CB-CG 4.38Å; Q146-R152 WeakPolarHBondContact O-CD 3.44Å; Q146-R152 WeakPolarHBondContact O-CG 3.43Å; Q146-R152 PolarHBondContact O-NE 2.89Å
147	N	86.3	Confident	93.2	Very high	129 Å²	129	43 Å²	43	69%	0.69	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.9	-25.3	166.4	-72.7	-10.2	0	0	0	112.5	F145 M422	F145-N147 PolarHBondContact O-N 3.4Å; N147-M422 PolarHBondContact ND2-SD 3.2Å
148	S	90.3	Very high	93.2	Very high	19 Å²	19	44 Å²	44	13%	0.133	23%	0.225	C	C	.	.	S	Bend	trans	-81	126.2	173.6	-179.1	0	0	0	0	110.4	F145 Q146 A150 A151 R152 P533 M534	F145-S148 WeakPolarHBondContact O-CB 3.39Å; F145-S148 PolarHBondContact O-N 2.88Å; Q146-S148 VanDerWaalsContact C-N 3.33Å; S148-A150 PolarHBondContact O-N 2.79Å; S148-A150 PolarHBondContact OG-N 3.43Å; S148-A151 PolarHBondContact O-N 3.16Å; S148-A151 VanDerWaalsContact O-N 3.13Å; S148-R152 PolarHBondContact O-N 3.29Å; S148-P533 PolarHBondContact OG-O 3.09Å; S148-M534 WeakPolarHBondContact OG-CE 3.47Å
149	A	93.5	Very high	93.2	Very high	7 Å²	7	49 Å²	49	6%	0.058	26%	0.257	C	S	.	.	H	α-helix	trans	-59.4	-30.5	172.5	0	0	0	0	0	113	A151 R152 M153 P533 F562 Y563	A149-A151 VanDerWaalsContact C-N 3.3Å; A149-A151 PolarHBondContact O-N 2.93Å; A149-R152 PolarHBondContact O-N 3.07Å; A149-M153 PolarHBondContact O-N 3.42Å; A149-M153 VanDerWaalsContact O-N 3.11Å; A149-P533 HydrophobicContact CB-CG 4.02Å; A149-F562 HydrophobicContact CB-CB 4.09Å; A149-F562 HydrophobicContact CB-CD1 4.31Å; A149-F562 VanDerWaalsContact CB-O 3.32Å; A149-F562 WeakPolarHBondContact CB-O 3.2Å; A149-F562 WeakPolarHBondContact O-CD1 3.19Å; A149-Y563 HydrophobicContact CB-CD1 4.22Å
150	A	93.3	Very high	93.1	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-71.8	-21.5	178.3	0	0	0	0	0	113.7	S148 W154 L532 P533 M534 Y544 Y563	S148-A150 PolarHBondContact O-N 2.79Å; S148-A150 PolarHBondContact OG-N 3.43Å; A150-W154 PolarHBondContact O-NE1 2.89Å; A150-L532 HydrophobicContact CB-CD1 3.59Å; A150-L532 HydrophobicContact CB-CG 4.49Å; A150-P533 HydrophobicContact CB-CG 3.92Å; A150-M534 HydrophobicContact CB-CE 3.62Å; A150-M534 HydrophobicContact CB-CG 3.72Å; A150-M534 HydrophobicContact CB-SD 4.47Å; A150-Y544 HydrophobicContact CB-CE1 4.19Å; A150-Y544 PolarHBondContact O-OH 2.88Å; A150-Y563 HydrophobicContact CB-CD1 4.47Å; A150-Y563 HydrophobicContact CB-CE1 3.82Å
151	A	93	Very high	93.3	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-84.5	-45	168.2	0	0	0	0	0	110.6	F145 S148 A149 M153 W154 M534	F145-A151 HydrophobicContact CB-CB 4.01Å; F145-A151 WeakPolarHBondContact O-CB 3.46Å; S148-A151 PolarHBondContact O-N 3.16Å; S148-A151 VanDerWaalsContact O-N 3.13Å; A149-A151 VanDerWaalsContact C-N 3.3Å; A149-A151 PolarHBondContact O-N 2.93Å; A151-M153 PolarHBondContact O-N 3.05Å; A151-M153 VanDerWaalsContact O-N 3.16Å; A151-W154 PolarHBondContact O-N 3.3Å; A151-W154 VanDerWaalsContact O-N 3.14Å; A151-M534 HydrophobicContact CB-CE 3.93Å
152	R	94.7	Very high	93.6	Very high	100 Å²	100	45.9 Å²	45.9	38%	0.377	25%	0.249	S	C	.	.	H	α-helix	trans	-57.6	-30.7	-178.7	-77.9	-170.4	-71.2	107.4	-4.5	114.4	Q146 S148 A149 W154 V155 S561 F562	Q146-R152 HydrophobicContact CB-CG 4.38Å; Q146-R152 WeakPolarHBondContact O-CD 3.44Å; Q146-R152 WeakPolarHBondContact O-CG 3.43Å; Q146-R152 PolarHBondContact O-NE 2.89Å; S148-R152 PolarHBondContact O-N 3.29Å; A149-R152 PolarHBondContact O-N 3.07Å; R152-W154 PolarHBondContact O-N 3.22Å; R152-W154 VanDerWaalsContact O-N 3.16Å; R152-V155 WeakPolarHBondContact O-CB 3.4Å; R152-V155 PolarHBondContact O-N 3.48Å; R152-V155 VanDerWaalsContact O-N 3.1Å; R152-S561 PolarHBondContact NH1-O 3.1Å; R152-F562 HydrophobicContact CB-CE1 4.32Å
153	M	96.3	Very high	94	Very high	2 Å²	2	46.7 Å²	46.7	1%	0.01	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-20	-179	75.9	-171.4	-160.4	0	0	113.8	A149 A151 Y544 F558 F562 Y563	A149-M153 PolarHBondContact O-N 3.42Å; A149-M153 VanDerWaalsContact O-N 3.11Å; A151-M153 PolarHBondContact O-N 3.05Å; A151-M153 VanDerWaalsContact O-N 3.16Å; M153-Y544 HydrophobicContact CE-CD1 3.86Å; M153-Y544 HydrophobicContact CE-CE1 3.36Å; M153-Y544 HydrophobicContact SD-CE1 4.49Å; M153-F558 HydrophobicContact CB-CE2 4.34Å; M153-F558 HydrophobicContact CB-CZ 4.47Å; M153-F558 HydrophobicContact SD-CE2 4.35Å; M153-F558 HydrophobicContact SD-CZ 3.78Å; M153-F562 VanDerWaalsContact CA-CE1 3.41Å; M153-F562 HydrophobicContact CB-CD1 3.75Å; M153-F562 HydrophobicContact CB-CD2 4.47Å; M153-F562 HydrophobicContact CB-CE1 3.69Å; M153-F562 HydrophobicContact CB-CE2 4.42Å; M153-F562 HydrophobicContact CB-CG 4.15Å; M153-F562 HydrophobicContact CB-CZ 4.04Å; M153-Y563 WeakPolarHBondContact CE-OH 3.45Å; M153-Y563 HydrophobicContact SD-CE1 3.9Å; M153-Y563 PolarHBondContact SD-OH 2.97Å
154	W	96.4	Very high	94.5	Very high	43 Å²	43	41.8 Å²	41.8	16%	0.163	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.7	-5	178.5	-57.9	117.3	0	0	0	113.8	A150 A151 R152 L205 V207 Y208 Y544 I546	A150-W154 PolarHBondContact O-NE1 2.89Å; A151-W154 PolarHBondContact O-N 3.3Å; A151-W154 VanDerWaalsContact O-N 3.14Å; R152-W154 PolarHBondContact O-N 3.22Å; R152-W154 VanDerWaalsContact O-N 3.16Å; W154-L205 HydrophobicContact CE3-CD1 3.86Å; W154-L205 HydrophobicContact CZ3-CD1 4.48Å; W154-V207 HydrophobicContact CE3-CG1 4.16Å; W154-V207 HydrophobicContact CH2-CG1 4.13Å; W154-V207 HydrophobicContact CH2-CG2 4.41Å; W154-V207 HydrophobicContact CZ3-CG1 3.58Å; W154-Y208 HydrophobicContact CZ3-CE1 4.35Å; W154-Y544 AromaticContact NE1-CZ 3.82Å; W154-I546 HydrophobicContact CH2-CD1 3.87Å; W154-I546 HydrophobicContact CZ3-CD1 4.28Å
155	V	95.9	Very high	95	Very high	45 Å²	45	39.1 Å²	39.1	27%	0.273	21%	0.21	S	C	.	.	S	Bend	trans	-79.7	133.8	-179.7	177.4	0	0	0	0	110.3	D142 R152 N157 L205	D142-V155 HydrophobicContact CB-CG2 4.5Å; R152-V155 WeakPolarHBondContact O-CB 3.4Å; R152-V155 PolarHBondContact O-N 3.48Å; R152-V155 VanDerWaalsContact O-N 3.1Å; V155-N157 PolarHBondContact O-N 2.86Å; V155-L205 WeakPolarHBondContact O-CD2 3.48Å
156	P	96.7	Very high	95.6	Very high	38 Å²	38	39.6 Å²	39.6	25%	0.247	21%	0.213	C	C	.	.			trans	-47.8	128.4	173.1	-33.1	38.2	0	0	0	113.8	T136 Q139 T202	T136-P156 HydrophobicContact CG2-CB 3.86Å; T136-P156 HydrophobicContact CG2-CG 4.01Å; Q139-P156 HydrophobicContact CG-CG 4.42Å; P156-T202 HydrophobicContact CB-CG2 4.35Å
157	N	96.6	Very high	96.1	Very high	72 Å²	72	37.6 Å²	37.6	39%	0.385	20%	0.203	S	C	.	.			trans	-106.8	8.4	-176.3	63.1	-11.8	0	0	0	113.5	V155 T204	V155-N157 PolarHBondContact O-N 2.86Å; N157-T204 PolarHBondContact ND2-O 2.92Å; N157-T204 WeakPolarHBondContact OD1-CB 3.34Å; N157-T204 PolarHBondContact OD1-O 3.12Å; N157-T204 PolarHBondContact OD1-OG1 3Å
158	T	98.4	Very high	96.7	Very high	23 Å²	23	31.4 Å²	31.4	14%	0.141	17%	0.17	C	C	.	.	S	Bend	trans	-128.5	156.7	173.6	62.7	0	0	0	0	111.1	L133 P134 T136 T204	L133-T158 HydrophobicContact CB-CG2 3.73Å; L133-T158 HydrophobicContact CD1-CG2 4.46Å; P134-T158 WeakPolarHBondContact O-CB 3.36Å; P134-T158 WeakPolarHBondContact O-CG2 3.29Å; P134-T158 PolarHBondContact O-OG1 2.79Å; T136-T158 PolarHBondContact N-OG1 3.04Å; T136-T158 VanDerWaalsContact N-OG1 3.13Å; T136-T158 PolarHBondContact OG1-OG1 3.02Å; T158-T204 HydrophobicContact CG2-CG2 4.14Å
159	P	97.9	Very high	97.1	Very high	107 Å²	107	30.5 Å²	30.5	70%	0.695	16%	0.164	S	C	*	.			trans	-56.4	146.6	176.3	-25.5	35.2	0	0	0	112.7	P135 T136	P135-P159 CarbonylContact C-O 3.48Å; P135-P159 VanDerWaalsContact CA-O 3.29Å; P135-P159 WeakPolarHBondContact CA-O 3.3Å; P135-P159 WeakPolarHBondContact CB-O 3.37Å; T136-P159 PolarHBondContact N-O 2.61Å
160	M	97.8	Very high	97.3	Very high	81 Å²	81	30.4 Å²	30.4	40%	0.399	16%	0.162	S	C	.	.	B	Isolated β-bridge	trans	-82.2	133.4	178.9	-172.4	175.4	68.7	0	0	111.2	T136 P138 I348 L352	T136-M160 CarbonylContact O-C 3.58Å; T136-M160 VanDerWaalsContact O-CA 3.3Å; T136-M160 WeakPolarHBondContact O-CA 3.19Å; P138-M160 VanDerWaalsContact CA-SD 3.53Å; P138-M160 HydrophobicContact CB-CG 4.27Å; P138-M160 HydrophobicContact CB-SD 4.12Å; P138-M160 HydrophobicContact CG-CG 4.46Å; M160-I348 HydrophobicContact CE-CG2 3.81Å; M160-L352 HydrophobicContact CE-CD1 3.89Å; M160-L352 HydrophobicContact SD-CD1 4Å
161	S	98.5	Very high	97.6	Very high	41 Å²	41	31.3 Å²	31.3	29%	0.287	17%	0.167	S	C	.	.			trans	-151.7	146.3	175.3	-180	0	0	0	0	110.3	T136 P138 D163 C164	T136-S161 PolarHBondContact O-N 2.96Å; P138-S161 WeakPolarHBondContact CD-O 3.26Å; S161-D163 PolarHBondContact OG-N 2.99Å; S161-D163 VanDerWaalsContact OG-N 3.08Å; S161-C164 WeakPolarHBondContact O-CB 3.47Å
162	E	98.5	Very high	97.8	Very high	18 Å²	18	31.9 Å²	31.9	8%	0.084	17%	0.171	C	C	.	.	S	Bend	trans	-68.7	-26.2	167.8	-84.5	178.9	-96.9	0	0	112.9	P108 T109 R113 P138 C164 F231 I348	P108-E162 VanDerWaalsContact CD-O 3.32Å; P108-E162 WeakPolarHBondContact CD-O 3.47Å; P108-E162 WeakPolarHBondContact CG-O 3.42Å; T109-E162 HydrophobicContact CG2-CB 3.51Å; T109-E162 HydrophobicContact CG2-CG 4.49Å; R113-E162 IonicContact CZ-OE1 2.8Å; R113-E162 IonicContact CZ-OE2 3.17Å; R113-E162 IonicContact NE-OE1 3.1Å; R113-E162 IonicContact NE-OE2 3.19Å; R113-E162 PolarHBondContact NE-OE2 2.89Å; R113-E162 IonicContact NH2-OE1 3.81Å; R113-E162 PolarHBondContact NH2-OE1 2.9Å; R113-E162 IonicContact NH2-OE2 2.78Å; R113-E162 PolarHBondContact NH2-OE2 2.98Å; P138-E162 HydrophobicContact CG-CB 4.35Å; P138-E162 HydrophobicContact CG-CG 3.52Å; E162-C164 PolarHBondContact O-N 3.37Å; E162-F231 HydrophobicContact CG-CD1 4.37Å; E162-F231 HydrophobicContact CG-CE1 4.18Å; E162-I348 HydrophobicContact CB-CD1 4.41Å; E162-I348 HydrophobicContact CG-CD1 3.71Å; E162-I348 HydrophobicContact CG-CG1 3.86Å; E162-I348 WeakPolarHBondContact OE1-CD1 3.41Å; E162-I348 WeakPolarHBondContact OE1-CG1 3.47Å
163	D	98.5	Very high	97.6	Very high	42 Å²	42	29.4 Å²	29.4	23%	0.225	17%	0.165	C	C	.	.			trans	-78.9	81	167.8	-170.4	29.1	0	0	0	109.1	R103 S107 S161 F166	R103-D163 IonicContact CZ-OD1 3.8Å; R103-D163 IonicContact CZ-OD2 3.94Å; R103-D163 IonicContact NH1-OD1 2.89Å; R103-D163 PolarHBondContact NH1-OD1 3.12Å; R103-D163 IonicContact NH1-OD2 2.66Å; R103-D163 VanDerWaalsContact NH2-CG 3.33Å; R103-D163 IonicContact NH2-OD1 2.69Å; R103-D163 PolarHBondContact NH2-OD1 3.27Å; R103-D163 IonicContact NH2-OD2 3.05Å; R103-D163 PolarHBondContact NH2-OD2 3.43Å; S107-D163 WeakPolarHBondContact CA-OD1 3.34Å; S107-D163 WeakPolarHBondContact CB-OD1 3.29Å; S107-D163 WeakPolarHBondContact OG-CB 3.45Å; S161-D163 PolarHBondContact OG-N 2.99Å; S161-D163 VanDerWaalsContact OG-N 3.08Å; D163-F166 WeakPolarHBondContact O-CE2 3.31Å
164	C	98.7	Very high	96.6	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.19	C	C	.	.			trans	-129.9	1.2	-173	64.4	0	0	0	0	114.4	P135 C137 S161 E162 F166 N225	P135-C164 WeakPolarHBondContact O-CB 3.23Å; C137-C164 WeakPolarHBondContact CA-SG 3.48Å; C137-C164 HydrophobicContact CB-CB 3.88Å; C137-C164 WeakPolarHBondContact CB-SG 3.32Å; C137-C164 WeakPolarHBondContact SG-CB 3.12Å; C137-C164 CovalentContact SG-SG 2.03Å; C137-C164 PolarHBondContact SG-SG 2.82Å; S161-C164 WeakPolarHBondContact O-CB 3.47Å; E162-C164 PolarHBondContact O-N 3.37Å; C164-F166 VanDerWaalsContact C-CD2 3.41Å; C164-F166 VanDerWaalsContact C-N 3.27Å; C164-F166 PolarHBondContact O-N 3.32Å; C164-N225 WeakPolarHBondContact O-CB 3.45Å; C164-N225 PolarHBondContact O-ND2 3.43Å
165	L	98.9	Very high	94.9	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.212	C	C	.	.			trans	-79.3	72.5	-174.3	-59.7	-175.1	0	0	0	112.4	Y104 A105 P108 P117 R227 D249	Y104-L165 WeakPolarHBondContact CD1-O 3.5Å; Y104-L165 HydrophobicContact CE1-CB 4.19Å; Y104-L165 HydrophobicContact CE2-CB 4.28Å; Y104-L165 PolarHBondContact N-O 2.85Å; Y104-L165 WeakPolarHBondContact OH-CD2 3.32Å; A105-L165 HydrophobicContact CB-CB 3.84Å; A105-L165 HydrophobicContact CB-CD1 3.61Å; A105-L165 HydrophobicContact CB-CG 4.38Å; P108-L165 HydrophobicContact CB-CD1 4.09Å; P108-L165 HydrophobicContact CG-CD1 3.79Å; P108-L165 HydrophobicContact CG-CG 4.01Å; P117-L165 HydrophobicContact CB-CD1 4.4Å; L165-R227 HydrophobicContact CD2-CG 4.19Å; L165-D249 HydrophobicContact CD2-CB 4.19Å
166	F	98.8	Very high	92.7	Very high	22 Å²	22	42.9 Å²	42.9	10%	0.096	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	159	-179.2	-59	-88.1	0	0	0	112	G101 I102 R103 P134 D163 C164 M224 N225	G101-F166 WeakPolarHBondContact O-CD1 3.43Å; I102-F166 CarbonylContact O-C 3.52Å; I102-F166 WeakPolarHBondContact O-CA 3.45Å; R103-F166 HydrophobicContact CB-CD1 3.88Å; R103-F166 HydrophobicContact CB-CE1 3.8Å; R103-F166 HydrophobicContact CG-CE1 4.33Å; R103-F166 VanDerWaalsContact NH2-CZ 3.28Å; P134-F166 HydrophobicContact CB-CB 3.52Å; P134-F166 HydrophobicContact CB-CD2 3.7Å; P134-F166 HydrophobicContact CB-CG 3.75Å; P134-F166 HydrophobicContact CG-CB 3.93Å; D163-F166 WeakPolarHBondContact O-CE2 3.31Å; C164-F166 VanDerWaalsContact C-CD2 3.41Å; C164-F166 VanDerWaalsContact C-N 3.27Å; C164-F166 PolarHBondContact O-N 3.32Å; F166-M224 WeakPolarHBondContact O-CA 3Å; F166-N225 PolarHBondContact O-N 3.31Å
167	L	98.7	Very high	90	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	160.4	172.8	64.7	84.7	0	0	0	111.6	G101 I102 Y104 I169 S223 M224 W256 I257	G101-L167 PolarHBondContact N-O 2.86Å; I102-L167 HydrophobicContact CB-CD1 3.67Å; I102-L167 HydrophobicContact CB-CG 4Å; I102-L167 HydrophobicContact CD1-CD1 3.9Å; I102-L167 HydrophobicContact CG1-CD1 4.34Å; I102-L167 HydrophobicContact CG2-CD1 3.95Å; I102-L167 HydrophobicContact CG2-CG 4.15Å; I102-L167 PolarHBondContact N-O 3.05Å; I102-L167 PolarHBondContact O-N 3.21Å; Y104-L167 HydrophobicContact CD1-CB 4.18Å; Y104-L167 HydrophobicContact CD1-CD2 4.11Å; Y104-L167 HydrophobicContact CD1-CG 4.37Å; Y104-L167 HydrophobicContact CG-CD2 4.3Å; L167-I169 HydrophobicContact CD1-CD1 3.75Å; L167-I169 HydrophobicContact CD1-CG1 3.61Å; L167-S223 CarbonylContact C-O 3.2Å; L167-S223 WeakPolarHBondContact CA-O 3.4Å; L167-S223 WeakPolarHBondContact CB-O 3.39Å; L167-M224 HydrophobicContact CB-CB 3.97Å; L167-W256 HydrophobicContact CD1-CE3 4.16Å; L167-W256 HydrophobicContact CD1-CH2 4.4Å; L167-W256 HydrophobicContact CD1-CZ3 3.9Å; L167-W256 HydrophobicContact CD2-CB 4.45Å; L167-W256 HydrophobicContact CD2-CD2 3.77Å; L167-W256 HydrophobicContact CD2-CE3 3.43Å; L167-W256 VanDerWaalsContact CD2-CE3 3.43Å; L167-W256 HydrophobicContact CD2-CG 4.21Å; L167-W256 HydrophobicContact CD2-CZ3 4.05Å; L167-W256 HydrophobicContact CG-CE3 4.38Å; L167-I257 HydrophobicContact CD1-CD1 4.2Å; L167-I257 HydrophobicContact CD2-CD1 4.08Å; L167-I257 HydrophobicContact CD2-CG1 4.26Å
168	N	98.9	Very high	87.3	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	151.1	176	-47.6	-61.8	0	0	0	109.4	Y99 Y100 G101 P134 W170 S203 A222 S223	Y99-N168 CarbonylContact O-C 3.5Å; Y99-N168 WeakPolarHBondContact O-CA 3.44Å; Y100-N168 WeakPolarHBondContact CA-OD1 3.44Å; Y100-N168 HydrophobicContact CD1-CB 3.94Å; G101-N168 PolarHBondContact N-OD1 3.05Å; G101-N168 VanDerWaalsContact N-OD1 3.08Å; P134-N168 VanDerWaalsContact CD-OD1 3.24Å; P134-N168 WeakPolarHBondContact CD-OD1 3.27Å; N168-W170 HydrophobicContact CB-CE3 4.42Å; N168-W170 HydrophobicContact CB-CH2 3.62Å; N168-W170 HydrophobicContact CB-CZ2 4.4Å; N168-W170 HydrophobicContact CB-CZ3 3.63Å; N168-S203 PolarHBondContact ND2-OG 3.26Å; N168-A222 CarbonylContact O-C 3.47Å; N168-A222 WeakPolarHBondContact O-CA 3.26Å; N168-A222 WeakPolarHBondContact O-CB 3.36Å; N168-S223 PolarHBondContact N-O 3.04Å; N168-S223 PolarHBondContact ND2-OG 3.36Å; N168-S223 PolarHBondContact O-N 3.07Å
169	I	98.9	Very high	84.4	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	133.5	-180	-53.5	177.2	0	0	0	109.8	V98 Y99 I102 L167 V171 I220 V221 A222 W256 I257 I261 F264	V98-I169 WeakPolarHBondContact CA-O 3.3Å; Y99-I169 HydrophobicContact CD2-CB 4.48Å; Y99-I169 PolarHBondContact N-O 2.96Å; Y99-I169 PolarHBondContact O-N 3.12Å; I102-I169 HydrophobicContact CD1-CD1 3.69Å; I102-I169 HydrophobicContact CD1-CG1 4.09Å; L167-I169 HydrophobicContact CD1-CD1 3.75Å; L167-I169 HydrophobicContact CD1-CG1 3.61Å; I169-V171 HydrophobicContact CG2-CG2 3.76Å; I169-I220 HydrophobicContact CG2-CG2 3.68Å; I169-V221 WeakPolarHBondContact CA-O 3.3Å; I169-A222 HydrophobicContact CG1-CB 4.25Å; I169-W256 HydrophobicContact CD1-CH2 4.14Å; I169-W256 HydrophobicContact CD1-CZ3 3.8Å; I169-I257 HydrophobicContact CD1-CD1 4.28Å; I169-I257 HydrophobicContact CG1-CD1 4.5Å; I169-I261 HydrophobicContact CD1-CD1 3.97Å; I169-I261 HydrophobicContact CG2-CD1 4.19Å; I169-F264 HydrophobicContact CD1-CD1 4.08Å; I169-F264 HydrophobicContact CD1-CD2 4.21Å; I169-F264 HydrophobicContact CD1-CE1 3.9Å; I169-F264 HydrophobicContact CD1-CE2 4.04Å; I169-F264 HydrophobicContact CD1-CG 4.24Å; I169-F264 HydrophobicContact CD1-CZ 3.87Å; I169-F264 HydrophobicContact CG2-CD1 4.32Å
170	W	98.8	Very high	81.5	Confident	5 Å²	5	54.5 Å²	54.5	2%	0.019	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	119.4	172.2	-64.6	-99.9	0	0	0	109.1	V96 V98 Y100 N168 A210 R211 A214 I220 V221 S223	V96-W170 HydrophobicContact CG1-CB 4Å; V98-W170 HydrophobicContact CG1-CG 4.35Å; Y100-W170 AromaticContact CE1-CE2 4Å; Y100-W170 HydrophobicContact CE1-CH2 4.39Å; Y100-W170 AromaticContact CE1-CZ2 3.64Å; Y100-W170 HydrophobicContact CE1-CZ2 3.64Å; N168-W170 HydrophobicContact CB-CE3 4.42Å; N168-W170 HydrophobicContact CB-CH2 3.62Å; N168-W170 HydrophobicContact CB-CZ2 4.4Å; N168-W170 HydrophobicContact CB-CZ3 3.63Å; W170-A210 HydrophobicContact CB-CB 4.39Å; W170-A210 HydrophobicContact CD2-CB 3.7Å; W170-A210 HydrophobicContact CE3-CB 3.8Å; W170-A210 HydrophobicContact CG-CB 3.98Å; W170-A210 HydrophobicContact CZ3-CB 4.29Å; W170-R211 VanDerWaalsContact CD1-CG 3.49Å; W170-A214 HydrophobicContact CB-CB 4.02Å; W170-I220 WeakPolarHBondContact O-CA 3.24Å; W170-V221 PolarHBondContact N-O 3.07Å; W170-V221 PolarHBondContact O-N 3.02Å; W170-V221 VanDerWaalsContact O-N 3.13Å; W170-S223 WeakPolarHBondContact CZ3-OG 3.22Å
171	V	98.5	Very high	78.6	Confident	19 Å²	19	56.4 Å²	56.4	12%	0.115	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	117.1	-176.4	-173.7	0	0	0	0	109.3	V96 D97 Y99 I169 I220 F264	V96-V171 CarbonylContact C-O 3.59Å; V96-V171 WeakPolarHBondContact CA-O 3.43Å; V96-V171 WeakPolarHBondContact CG1-O 3.24Å; D97-V171 HydrophobicContact CB-CB 4.35Å; D97-V171 PolarHBondContact N-O 3.29Å; D97-V171 PolarHBondContact O-N 3.38Å; Y99-V171 HydrophobicContact CD2-CG2 4.43Å; Y99-V171 HydrophobicContact CE2-CG2 4.15Å; I169-V171 HydrophobicContact CG2-CG2 3.76Å; V171-I220 HydrophobicContact CG1-CD1 4.2Å; V171-I220 HydrophobicContact CG1-CG1 4.27Å; V171-I220 HydrophobicContact CG2-CD1 4.26Å; V171-I220 HydrophobicContact CG2-CG1 4.43Å; V171-F264 VanDerWaalsContact CG1-O 3.32Å; V171-F264 WeakPolarHBondContact CG1-O 3.45Å; V171-F264 HydrophobicContact CG2-CB 4.09Å; V171-F264 HydrophobicContact CG2-CD1 4.34Å
172	P	96.9	Very high	75.8	Confident	12 Å²	12	60.8 Å²	60.8	8%	0.078	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	143.1	178.6	30.9	-33.6	0	0	0	110.9	L187 A214 I219	P172-L187 HydrophobicContact CG-CD1 3.61Å; P172-A214 WeakPolarHBondContact CB-O 3.44Å; P172-I219 VanDerWaalsContact CD-O 3.24Å; P172-I219 WeakPolarHBondContact CD-O 3.34Å; P172-I219 WeakPolarHBondContact CG-O 3.37Å
173	I	92	Very high	73.8	Confident	48 Å²	48	65.6 Å²	65.6	25%	0.246	39%	0.388	C	S	.	.	P	Polyproline II helix	trans	-97.4	123.7	174.9	-52.5	-175.4	0	0	0	108.9	R83 M95 D97	R83-I173 HydrophobicContact CG-CD1 4.29Å; R83-I173 VanDerWaalsContact CZ-CD1 3.49Å; M95-I173 HydrophobicContact CB-CB 4.14Å; M95-I173 HydrophobicContact CB-CD1 3.66Å; M95-I173 HydrophobicContact CB-CG1 4.15Å; M95-I173 PolarHBondContact O-N 2.7Å; D97-I173 WeakPolarHBondContact OD1-CD1 3.27Å
174	K	74.5	Confident	72.2	Confident	123 Å²	123	72.5 Å²	72.5	54%	0.535	42%	0.416	S	S	.	.	P	Polyproline II helix	trans	-78.6	125.5	167.5	-72.9	-173.6	177.2	179.8	0	109.3	S176 N218	K174-S176 PolarHBondContact O-N 3.36Å; K174-N218 WeakPolarHBondContact CE-ND2 3.5Å; K174-N218 VanDerWaalsContact CE-OD1 3.29Å; K174-N218 WeakPolarHBondContact CE-OD1 3.31Å
175	E	60.1	Low	71.6	Confident	135 Å²	135	78.2 Å²	78.2	63%	0.631	44%	0.442	S	S	*	.	P	Polyproline II helix	trans	-66.3	122.6	160	-67.6	-159.8	162.7	0	0	108.2	N177	E175-N177 PolarHBondContact O-N 2.99Å
176	S	49.7	Very low	71.4	Confident	114 Å²	114	81.4 Å²	81.4	80%	0.797	46%	0.456	S	S	*	.			trans	-69.3	82.7	174	53.5	0	0	0	0	109.4	K174 G178	K174-S176 PolarHBondContact O-N 3.36Å; S176-G178 PolarHBondContact O-N 3.07Å; S176-G178 VanDerWaalsContact O-N 3.15Å
177	N	39.6	Very low	71.3	Confident	135 Å²	135	81.1 Å²	81.1	72%	0.722	46%	0.456	S	S	*	.			trans	-63.2	116	160.3	-79.3	-15.9	0	0	0	106.8	E175 S179	E175-N177 PolarHBondContact O-N 2.99Å; N177-S179 PolarHBondContact O-N 2.85Å
178	G	40.1	Very low	71.3	Confident	89 Å²	89	81.2 Å²	81.2	92%	0.918	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	42.3	-160.3	0	0	0	0	0	118.4	S176	S176-G178 PolarHBondContact O-N 3.07Å; S176-G178 VanDerWaalsContact O-N 3.15Å
179	S	37.4	Very low	71.3	Confident	95 Å²	95	81.2 Å²	81.2	66%	0.664	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-137	1.3	178.4	54	0	0	0	0	116.5	N177	N177-S179 PolarHBondContact O-N 2.85Å
180	H	37.3	Very low	71.3	Confident	166 Å²	166	81.2 Å²	81.2	77%	0.769	46%	0.457	S	S	*	.			trans	-131.4	88.9	166.1	-81.7	-56.2	0	0	0	112.8	N182	H180-N182 PolarHBondContact O-N 2.77Å
181	P	38	Very low	71.3	Confident	120 Å²	120	81 Å²	81	78%	0.779	46%	0.456	S	S	*	.			trans	-77.1	31.4	173.7	14.5	-1.3	0	0	0	113.6
182	N	39.8	Very low	71.3	Confident	133 Å²	133	80.1 Å²	80.1	71%	0.711	45%	0.45	S	S	*	.			trans	-102	49.8	169.2	-87.1	-8.5	0	0	0	110.7	H180 K184	H180-N182 PolarHBondContact O-N 2.77Å; N182-K184 PolarHBondContact O-N 2.7Å
183	S	55	Low	71.4	Confident	120 Å²	120	79.5 Å²	79.5	84%	0.839	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	25.1	171.9	56.4	0	0	0	0	114.7
184	K	66.4	Low	71.8	Confident	186 Å²	186	77.3 Å²	77.3	81%	0.809	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.8	-7.6	178.4	-70.4	-173.1	177.8	-179.8	0	114	N182 K186	N182-K184 PolarHBondContact O-N 2.7Å; K184-K186 PolarHBondContact O-N 3.47Å
185	E	86.3	Confident	72.9	Confident	120 Å²	120	71.6 Å²	71.6	56%	0.561	41%	0.411	S	S	*	.			trans	-71.6	115.7	-179.9	-162.8	-163.5	162.9	0	0	110.5	R270	E185-R270 IonicContact OE1-NH2 3.33Å; E185-R270 PolarHBondContact OE1-NH2 2.92Å
186	K	94.3	Very high	74.7	Confident	67 Å²	67	66.5 Å²	66.5	29%	0.291	40%	0.395	S	S	.	.	P	Polyproline II helix	trans	-74.6	135.9	175.4	-64.2	178.4	-176	171.7	0	110.6	K184 E262 G265 D267 R270	K184-K186 PolarHBondContact O-N 3.47Å; K186-E262 HydrophobicContact CD-CG 4.39Å; K186-E262 VanDerWaalsContact CE-CD 3.45Å; K186-E262 VanDerWaalsContact CE-OE1 3.26Å; K186-E262 WeakPolarHBondContact CE-OE1 3.45Å; K186-E262 IonicContact NZ-OE1 2.7Å; K186-E262 PolarHBondContact NZ-OE1 3.24Å; K186-E262 IonicContact NZ-OE2 2.68Å; K186-E262 PolarHBondContact NZ-OE2 3.11Å; K186-G265 CarbonylContact C-O 3.54Å; K186-G265 WeakPolarHBondContact CA-O 3.48Å; K186-D267 HydrophobicContact CB-CB 3.65Å; K186-R270 PolarHBondContact O-NH2 3.23Å
187	L	97.1	Very high	77	Confident	17 Å²	17	61.6 Å²	61.6	9%	0.089	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	147.8	-173.9	-59.4	-179.5	0	0	0	112.8	P172 N218 I220 G265 G266 D267	P172-L187 HydrophobicContact CG-CD1 3.61Å; L187-N218 WeakPolarHBondContact CD2-ND2 3.45Å; L187-I220 HydrophobicContact CB-CG1 4.15Å; L187-I220 HydrophobicContact CD1-CG1 4.08Å; L187-G265 PolarHBondContact N-O 3.13Å; L187-G266 CarbonylContact O-C 3.56Å; L187-G266 WeakPolarHBondContact O-CA 3.32Å; L187-D267 WeakPolarHBondContact O-CB 3.28Å; L187-D267 PolarHBondContact O-N 2.84Å
188	A	98.3	Very high	79.8	Confident	2 Å²	2	55.1 Å²	55.1	2%	0.017	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	150.4	167.8	0	0	0	0	0	110.9	I219 I220 R270 R585	A188-I219 HydrophobicContact CB-CG2 4.32Å; A188-I220 PolarHBondContact O-N 3.23Å; A188-R270 HydrophobicContact CB-CB 4.19Å; A188-R585 HydrophobicContact CB-CB 4.32Å; A188-R585 HydrophobicContact CB-CG 3.62Å
189	V	98.9	Very high	82.5	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	127	-173.9	-174.8	0	0	0	0	109.3	I220 I257 I261 R270 I271 T272	V189-I220 CarbonylContact C-O 3.38Å; V189-I220 VanDerWaalsContact CA-O 3.31Å; V189-I220 WeakPolarHBondContact CA-O 3.31Å; V189-I220 HydrophobicContact CG1-CG2 4.32Å; V189-I220 HydrophobicContact CG2-CB 4.28Å; V189-I257 HydrophobicContact CG1-CG2 4.28Å; V189-I261 HydrophobicContact CG1-CG1 4.18Å; V189-I261 HydrophobicContact CG2-CG1 3.77Å; V189-I261 HydrophobicContact CG2-CG2 4.23Å; V189-R270 PolarHBondContact N-O 3.38Å; V189-I271 HydrophobicContact CB-CG1 4.02Å; V189-I271 HydrophobicContact CG1-CG1 4.48Å; V189-I271 HydrophobicContact CG2-CG1 4.38Å; V189-I271 CarbonylContact O-C 3.49Å; V189-I271 WeakPolarHBondContact O-CA 3.4Å; V189-T272 PolarHBondContact O-N 3.2Å
190	M	98.9	Very high	85.3	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	122.5	169.1	-71.4	-177.8	65.1	0	0	109.7	L213 I219 I220 V221 A222 T272 F274 I300 W580 A584	M190-L213 HydrophobicContact SD-CD2 4.38Å; M190-I219 HydrophobicContact CB-CD1 4.49Å; M190-I219 HydrophobicContact CG-CD1 3.89Å; M190-I219 HydrophobicContact SD-CD1 3.35Å; M190-I219 WeakPolarHBondContact SD-CD1 3.47Å; M190-I220 PolarHBondContact N-O 3.49Å; M190-V221 CarbonylContact O-C 3.45Å; M190-V221 WeakPolarHBondContact O-CA 3.25Å; M190-A222 PolarHBondContact O-N 3.12Å; M190-T272 CarbonylContact C-O 3.58Å; M190-T272 WeakPolarHBondContact CA-O 3.35Å; M190-F274 HydrophobicContact CB-CD1 3.96Å; M190-F274 HydrophobicContact CB-CE1 3.58Å; M190-F274 HydrophobicContact CB-CZ 4.18Å; M190-F274 HydrophobicContact CE-CD1 3.97Å; M190-F274 HydrophobicContact CE-CD2 3.64Å; M190-F274 HydrophobicContact CE-CE1 4.06Å; M190-F274 HydrophobicContact CE-CE2 3.72Å; M190-F274 HydrophobicContact CE-CG 3.8Å; M190-F274 HydrophobicContact CE-CZ 3.94Å; M190-I300 HydrophobicContact CE-CD1 4.31Å; M190-W580 HydrophobicContact CE-CB 4.08Å; M190-W580 HydrophobicContact CE-CG 4.42Å; M190-A584 HydrophobicContact CG-CB 3.47Å; M190-A584 VanDerWaalsContact CG-CB 3.47Å; M190-A584 HydrophobicContact SD-CB 3.84Å
191	L	98.9	Very high	88.2	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	111.2	-179.9	178.4	59.8	0	0	0	111	A222 M224 M254 I257 I271 T272 L273 F274	L191-A222 CarbonylContact C-O 3.47Å; L191-A222 WeakPolarHBondContact CA-O 3.32Å; L191-A222 HydrophobicContact CD1-CB 3.78Å; L191-M224 HydrophobicContact CD1-CE 4.44Å; L191-M224 HydrophobicContact CD1-SD 3.62Å; L191-M224 HydrophobicContact CD2-CE 4.1Å; L191-M224 HydrophobicContact CD2-SD 4.33Å; L191-M224 HydrophobicContact CG-CE 4.19Å; L191-M224 HydrophobicContact CG-SD 3.94Å; L191-M254 HydrophobicContact CD2-CB 4.35Å; L191-M254 HydrophobicContact CD2-CG 3.68Å; L191-I257 HydrophobicContact CD1-CG1 4.27Å; L191-I257 HydrophobicContact CD2-CG1 4.29Å; L191-I271 HydrophobicContact CB-CG2 4.49Å; L191-T272 PolarHBondContact N-O 3.27Å; L191-L273 HydrophobicContact CB-CD2 4.02Å; L191-L273 HydrophobicContact CD2-CD2 3.83Å; L191-L273 HydrophobicContact CG-CD2 4.2Å; L191-F274 VanDerWaalsContact C-CD1 3.41Å; L191-F274 VanDerWaalsContact C-CE1 3.4Å; L191-F274 VanDerWaalsContact O-CD1 3.26Å; L191-F274 WeakPolarHBondContact O-CD1 3.44Å; L191-F274 PolarHBondContact O-N 3.32Å
192	W	98.9	Very high	91.1	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	128.5	-174.6	179.6	-119	0	0	0	112.5	Y208 A222 M224 F274 E276 I546 F550	W192-Y208 AromaticContact CE2-CD1 3.83Å; W192-Y208 AromaticContact CE2-CE1 3.56Å; W192-Y208 AromaticContact CE2-CZ 3.99Å; W192-Y208 HydrophobicContact CZ2-CD1 4.04Å; W192-Y208 AromaticContact CZ2-CE1 3.4Å; W192-Y208 HydrophobicContact CZ2-CE1 3.4Å; W192-Y208 AromaticContact CZ2-CZ 3.9Å; W192-Y208 AromaticContact NE1-CD1 3.36Å; W192-Y208 AromaticContact NE1-CD2 3.71Å; W192-Y208 AromaticContact NE1-CE1 3.3Å; W192-Y208 VanDerWaalsContact NE1-CE1 3.3Å; W192-Y208 AromaticContact NE1-CE2 3.63Å; W192-Y208 AromaticContact NE1-CG 3.59Å; W192-Y208 AromaticContact NE1-CZ 3.46Å; W192-A222 PolarHBondContact N-O 3.13Å; W192-M224 VanDerWaalsContact O-SD 3.33Å; W192-F274 CarbonylContact C-O 3.55Å; W192-F274 VanDerWaalsContact CA-CE1 3.42Å; W192-F274 WeakPolarHBondContact CA-O 3.15Å; W192-F274 HydrophobicContact CB-CD1 4.29Å; W192-F274 HydrophobicContact CB-CE1 3.55Å; W192-F274 HydrophobicContact CB-CE2 4.47Å; W192-F274 HydrophobicContact CB-CZ 3.66Å; W192-F274 HydrophobicContact CD2-CD2 4.49Å; W192-F274 HydrophobicContact CD2-CE2 4.16Å; W192-F274 HydrophobicContact CD2-CZ 4.21Å; W192-F274 HydrophobicContact CE3-CD1 4.12Å; W192-F274 AromaticContact CE3-CD2 3.31Å; W192-F274 HydrophobicContact CE3-CD2 3.31Å; W192-F274 HydrophobicContact CE3-CE1 4.09Å; W192-F274 AromaticContact CE3-CE2 3.3Å; W192-F274 HydrophobicContact CE3-CE2 3.3Å; W192-F274 AromaticContact CE3-CG 3.72Å; W192-F274 HydrophobicContact CE3-CG 3.72Å; W192-F274 AromaticContact CE3-CZ 3.7Å; W192-F274 HydrophobicContact CE3-CZ 3.7Å; W192-F274 HydrophobicContact CG-CE1 4.47Å; W192-F274 HydrophobicContact CG-CZ 4.24Å; W192-F274 AromaticContact CZ3-CD2 3.58Å; W192-F274 HydrophobicContact CZ3-CD2 3.58Å; W192-F274 AromaticContact CZ3-CE2 3.81Å; W192-F274 HydrophobicContact CZ3-CE2 3.81Å; W192-F274 HydrophobicContact CZ3-CG 4.22Å; W192-E276 HydrophobicContact CH2-CB 3.6Å; W192-E276 HydrophobicContact CZ2-CB 4.29Å; W192-E276 HydrophobicContact CZ3-CB 4.45Å; W192-I546 HydrophobicContact CH2-CD1 3.98Å; W192-I546 HydrophobicContact CH2-CG1 4.06Å; W192-I546 HydrophobicContact CZ2-CD1 4Å; W192-I546 HydrophobicContact CZ2-CG1 4.46Å; W192-I546 HydrophobicContact CZ2-CG2 4.49Å; W192-F550 HydrophobicContact CB-CZ 4.18Å; W192-F550 AromaticContact CD2-CE2 3.93Å; W192-F550 HydrophobicContact CD2-CE2 3.93Å; W192-F550 AromaticContact CD2-CZ 3.65Å; W192-F550 HydrophobicContact CD2-CZ 3.65Å; W192-F550 AromaticContact CE2-CE2 3.99Å; W192-F550 AromaticContact CE2-CZ 3.96Å; W192-F550 HydrophobicContact CE3-CE2 4.05Å; W192-F550 HydrophobicContact CE3-CZ 4.06Å; W192-F550 HydrophobicContact CG-CE2 4.45Å; W192-F550 AromaticContact CG-CZ 3.7Å; W192-F550 HydrophobicContact CG-CZ 3.7Å; W192-F550 HydrophobicContact CH2-CE2 4.24Å; W192-F550 HydrophobicContact CZ2-CE2 4.18Å; W192-F550 HydrophobicContact CZ3-CE2 4.18Å
193	I	98.9	Very high	93.9	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	112.2	168.7	-46.1	-173	0	0	0	108.2	M224 Y226 Q250 F274 G275 G279 V283	I193-M224 HydrophobicContact CD1-CE 3.82Å; I193-M224 HydrophobicContact CG1-CE 3.61Å; I193-M224 HydrophobicContact CG1-SD 4.19Å; I193-Y226 HydrophobicContact CG2-CD1 4.29Å; I193-Y226 HydrophobicContact CG2-CE1 3.79Å; I193-Q250 HydrophobicContact CG2-CG 4.29Å; I193-F274 PolarHBondContact N-O 2.86Å; I193-G275 WeakPolarHBondContact O-CA 3.13Å; I193-G279 WeakPolarHBondContact O-CA 3.42Å; I193-V283 HydrophobicContact CD1-CG2 3.94Å; I193-V283 HydrophobicContact CG1-CG2 4.29Å
194	Y	98.8	Very high	96	Very high	1 Å²	1	25 Å²	25	0%	0.004	13%	0.126	C	C	.	.			trans	-72.8	155.2	-178.6	61.7	-99.9	0	0	0	112.9	G201 T202 S203 M224 Y226 L228 G279	Y194-G201 WeakPolarHBondContact CE2-O 3.26Å; Y194-T202 VanDerWaalsContact CD1-C 3.48Å; Y194-S203 VanDerWaalsContact CE1-N 3.32Å; Y194-M224 WeakPolarHBondContact CD1-O 3.43Å; Y194-M224 WeakPolarHBondContact CE1-O 3.43Å; Y194-Y226 HydrophobicContact CD1-CE1 4.17Å; Y194-Y226 AromaticContact CD2-CE1 3.9Å; Y194-Y226 HydrophobicContact CD2-CE1 3.9Å; Y194-Y226 AromaticContact CE1-CD1 3.98Å; Y194-Y226 HydrophobicContact CE1-CD1 3.98Å; Y194-Y226 AromaticContact CE1-CE1 3.87Å; Y194-Y226 HydrophobicContact CE1-CE1 3.87Å; Y194-Y226 HydrophobicContact CE2-CD1 4.23Å; Y194-Y226 AromaticContact CE2-CE1 3.53Å; Y194-Y226 HydrophobicContact CE2-CE1 3.53Å; Y194-Y226 AromaticContact CE2-CZ 3.78Å; Y194-Y226 HydrophobicContact CG-CE1 4.18Å; Y194-Y226 AromaticContact CZ-CD1 3.73Å; Y194-Y226 AromaticContact CZ-CE1 3.5Å; Y194-Y226 VanDerWaalsContact CZ-CE1 3.5Å; Y194-Y226 PolarHBondContact O-OH 3.43Å; Y194-Y226 PolarHBondContact OH-N 2.69Å; Y194-Y226 PolarHBondContact OH-O 3.19Å; Y194-L228 HydrophobicContact CE2-CD1 4.42Å; Y194-L228 HydrophobicContact CE2-CD2 4.21Å; Y194-G279 WeakPolarHBondContact O-CA 3.34Å
195	G	98.5	Very high	97.5	Very high	3 Å²	3	16.4 Å²	16.4	3%	0.031	9%	0.089	C	C	.	.			trans	-82	-143.7	176.2	0	0	0	0	0	114.2	M200 E276	G195-M200 VanDerWaalsContact O-O 3.13Å; G195-E276 WeakPolarHBondContact CA-O 3.49Å; G195-E276 PolarHBondContact N-O 3.42Å
196	G	97.5	Very high	98.1	Very high	28 Å²	28	13 Å²	13	29%	0.289	8%	0.078	S	C	.	.	S	Bend	trans	93.2	35.2	-177.9	0	0	0	0	0	113.9	F198 Y199 M200	G196-F198 PolarHBondContact O-N 3.14Å; G196-Y199 PolarHBondContact O-N 3Å; G196-Y199 VanDerWaalsContact O-N 3.14Å; G196-M200 CarbonylContact C-O 3.55Å; G196-M200 WeakPolarHBondContact CA-O 3.32Å; G196-M200 PolarHBondContact O-N 3.26Å; G196-M200 VanDerWaalsContact O-O 3.11Å
197	S	97.2	Very high	98.3	Very high	11 Å²	11	9.9 Å²	9.9	8%	0.077	6%	0.064	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.6	23.1	165.4	-50.8	0	0	0	0	114.9	Y199 F365 V367	S197-Y199 WeakPolarHBondContact O-CD1 3.28Å; S197-Y199 PolarHBondContact O-N 3.38Å; S197-Y199 VanDerWaalsContact O-N 3.11Å; S197-F365 VanDerWaalsContact OG-CE2 3.3Å; S197-F365 WeakPolarHBondContact OG-CE2 3.3Å; S197-V367 WeakPolarHBondContact O-CG1 3.36Å
198	F	98.5	Very high	98.4	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	6%	0.062	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.2	-1	-174.4	-59.5	-75.6	0	0	0	116.6	G196 L228 G229 F233 A278 V281 S282 W310 V367 P371	G196-F198 PolarHBondContact O-N 3.14Å; F198-L228 CarbonylContact O-C 3.56Å; F198-L228 VanDerWaalsContact O-CA 3.31Å; F198-L228 WeakPolarHBondContact O-CA 3.5Å; F198-L228 WeakPolarHBondContact O-CD2 3.42Å; F198-G229 PolarHBondContact O-N 3.26Å; F198-F233 HydrophobicContact CB-CD2 4.19Å; F198-F233 HydrophobicContact CB-CE2 3.87Å; F198-F233 HydrophobicContact CB-CZ 4.37Å; F198-F233 HydrophobicContact CD1-CE1 4.13Å; F198-F233 AromaticContact CD1-CE2 3.75Å; F198-F233 HydrophobicContact CD1-CE2 3.75Å; F198-F233 AromaticContact CD1-CZ 3.42Å; F198-F233 HydrophobicContact CD1-CZ 3.42Å; F198-F233 VanDerWaalsContact CD1-CZ 3.42Å; F198-F233 HydrophobicContact CE1-CE1 4.46Å; F198-F233 HydrophobicContact CE1-CZ 4.02Å; F198-F233 HydrophobicContact CG-CE2 4.23Å; F198-F233 HydrophobicContact CG-CZ 4.24Å; F198-A278 HydrophobicContact CD1-CB 4.11Å; F198-A278 HydrophobicContact CD2-CB 3.72Å; F198-A278 HydrophobicContact CE1-CB 4.11Å; F198-A278 HydrophobicContact CE2-CB 3.7Å; F198-A278 HydrophobicContact CG-CB 3.94Å; F198-A278 HydrophobicContact CZ-CB 3.91Å; F198-A278 WeakPolarHBondContact CZ-O 3.4Å; F198-V281 HydrophobicContact CE2-CB 4.1Å; F198-V281 HydrophobicContact CE2-CG1 4Å; F198-V281 HydrophobicContact CZ-CB 3.73Å; F198-V281 HydrophobicContact CZ-CG1 3.66Å; F198-S282 WeakPolarHBondContact CE1-OG 3.48Å; F198-W310 HydrophobicContact CE2-CE3 4.5Å; F198-W310 HydrophobicContact CE2-CZ3 4.12Å; F198-V367 HydrophobicContact CB-CG1 4.5Å; F198-V367 HydrophobicContact CD2-CG1 4.41Å; F198-P371 HydrophobicContact CD1-CG 4.05Å; F198-P371 HydrophobicContact CD2-CG 4.28Å; F198-P371 HydrophobicContact CE1-CG 3.51Å; F198-P371 HydrophobicContact CE2-CG 3.79Å; F198-P371 HydrophobicContact CG-CG 4.38Å; F198-P371 HydrophobicContact CZ-CG 3.36Å
199	Y	97.8	Very high	98.4	Very high	34 Å²	34	10.2 Å²	10.2	13%	0.133	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.2	-7.2	177.8	63.6	-98.2	0	0	0	114	Q139 P140 G196 S197 H355 Y359	Q139-Y199 WeakPolarHBondContact CB-O 3.31Å; P140-Y199 WeakPolarHBondContact CD-O 3.39Å; P140-Y199 HydrophobicContact CG-CD2 4.3Å; G196-Y199 PolarHBondContact O-N 3Å; G196-Y199 VanDerWaalsContact O-N 3.14Å; S197-Y199 WeakPolarHBondContact O-CD1 3.28Å; S197-Y199 PolarHBondContact O-N 3.38Å; S197-Y199 VanDerWaalsContact O-N 3.11Å; Y199-H355 AromaticContact CD2-CE1 3.93Å; Y199-H355 AromaticContact CG-CE1 3.91Å; Y199-H355 AromaticContact CG-NE2 3.99Å; Y199-Y359 HydrophobicContact CE1-CE1 4.33Å; Y199-Y359 HydrophobicContact CE2-CE1 4.26Å
200	M	97	Very high	98.3	Very high	39 Å²	39	10.2 Å²	10.2	19%	0.192	7%	0.066	C	C	.	.	S	Bend	trans	-140.5	172	177	-75.2	167.2	76	0	0	111.5	Q139 D142 G195 G196	Q139-M200 HydrophobicContact CB-CG 4.18Å; Q139-M200 VanDerWaalsContact OE1-CA 3.26Å; D142-M200 HydrophobicContact CB-CE 3.76Å; G195-M200 VanDerWaalsContact O-O 3.13Å; G196-M200 CarbonylContact C-O 3.55Å; G196-M200 WeakPolarHBondContact CA-O 3.32Å; G196-M200 PolarHBondContact O-N 3.26Å; G196-M200 VanDerWaalsContact O-O 3.11Å
201	G	98	Very high	98.3	Very high	10 Å²	10	11.8 Å²	11.8	10%	0.103	7%	0.071	C	C	.	.			trans	110.1	162.5	178	0	0	0	0	0	113.4	Q139 Y194	Q139-G201 PolarHBondContact NE2-O 2.74Å; Y194-G201 WeakPolarHBondContact CE2-O 3.26Å
202	T	98.7	Very high	98.3	Very high	0 Å²	0	12 Å²	12	0%	0	7%	0.072	C	C	.	.			trans	-157.5	150.5	176.4	-177.7	0	0	0	0	110.7	T136 P156 Y194 T204 L205 Y208 N225	T136-T202 HydrophobicContact CG2-CG2 4.38Å; T136-T202 WeakPolarHBondContact OG1-CB 3.34Å; T136-T202 PolarHBondContact OG1-OG1 3.4Å; P156-T202 HydrophobicContact CB-CG2 4.35Å; Y194-T202 VanDerWaalsContact CD1-C 3.48Å; T202-T204 VanDerWaalsContact CG2-OG1 3.31Å; T202-T204 WeakPolarHBondContact CG2-OG1 3.33Å; T202-T204 PolarHBondContact O-N 3.18Å; T202-T204 PolarHBondContact OG1-N 3.41Å; T202-T204 PolarHBondContact OG1-OG1 3.12Å; T202-T204 VanDerWaalsContact OG1-OG1 3.09Å; T202-L205 HydrophobicContact CG2-CD2 3.57Å; T202-L205 HydrophobicContact CG2-CG 3.68Å; T202-Y208 WeakPolarHBondContact O-CD2 3.43Å; T202-Y208 VanDerWaalsContact O-CE2 3.22Å; T202-Y208 WeakPolarHBondContact O-CE2 3.31Å; T202-N225 PolarHBondContact OG1-OD1 3.33Å
203	S	98.6	Very high	98.2	Very high	1 Å²	1	12 Å²	12	1%	0.007	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-6.8	176.4	64.6	0	0	0	0	113.9	N168 Y194 N225	N168-S203 PolarHBondContact ND2-OG 3.26Å; Y194-S203 VanDerWaalsContact CE1-N 3.32Å; S203-N225 VanDerWaalsContact CB-OD1 3.25Å; S203-N225 WeakPolarHBondContact CB-OD1 3.27Å; S203-N225 PolarHBondContact N-OD1 2.68Å; S203-N225 PolarHBondContact OG-OD1 3.1Å
204	T	98.6	Very high	98.2	Very high	6 Å²	6	12 Å²	12	4%	0.037	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.7	-5.1	-171.2	63.4	0	0	0	0	114.5	L133 P134 N157 T158 T202	L133-T204 HydrophobicContact CB-CG2 4.1Å; L133-T204 HydrophobicContact CD2-CG2 4.12Å; P134-T204 HydrophobicContact CG-CG2 3.83Å; N157-T204 PolarHBondContact ND2-O 2.92Å; N157-T204 WeakPolarHBondContact OD1-CB 3.34Å; N157-T204 PolarHBondContact OD1-O 3.12Å; N157-T204 PolarHBondContact OD1-OG1 3Å; T158-T204 HydrophobicContact CG2-CG2 4.14Å; T202-T204 VanDerWaalsContact CG2-OG1 3.31Å; T202-T204 WeakPolarHBondContact CG2-OG1 3.33Å; T202-T204 PolarHBondContact O-N 3.18Å; T202-T204 PolarHBondContact OG1-N 3.41Å; T202-T204 PolarHBondContact OG1-OG1 3.12Å; T202-T204 VanDerWaalsContact OG1-OG1 3.09Å
205	L	98.5	Very high	98.1	Very high	6 Å²	6	12.7 Å²	12.7	3%	0.031	8%	0.079	C	C	.	.			trans	-57.4	143.2	-177.5	-62.2	-178.4	0	0	0	111.6	W154 V155 T202 V207 Y208	W154-L205 HydrophobicContact CE3-CD1 3.86Å; W154-L205 HydrophobicContact CZ3-CD1 4.48Å; V155-L205 WeakPolarHBondContact O-CD2 3.48Å; T202-L205 HydrophobicContact CG2-CD2 3.57Å; T202-L205 HydrophobicContact CG2-CG 3.68Å; L205-V207 HydrophobicContact CB-CG1 3.98Å; L205-V207 HydrophobicContact CD1-CG1 4.43Å; L205-V207 PolarHBondContact O-N 2.69Å; L205-V207 VanDerWaalsContact O-N 3.11Å; L205-Y208 HydrophobicContact CB-CD2 3.78Å; L205-Y208 HydrophobicContact CB-CE2 4.01Å; L205-Y208 HydrophobicContact CB-CG 4.43Å; L205-Y208 HydrophobicContact CD1-CD2 4.38Å; L205-Y208 HydrophobicContact CD1-CE2 3.74Å; L205-Y208 HydrophobicContact CG-CD2 4.27Å; L205-Y208 HydrophobicContact CG-CE2 4.08Å; L205-Y208 WeakPolarHBondContact O-CB 3.42Å; L205-Y208 PolarHBondContact O-N 2.83Å
206	S	98.2	Very high	97.9	Very high	49 Å²	49	18.2 Å²	18.2	34%	0.343	10%	0.099	S	C	.	.	G	3₁₀ helix	trans	-60.8	-24	-179.2	-52.8	0	0	0	0	113.7	Y208 D209 I552	S206-Y208 PolarHBondContact O-N 3.04Å; S206-D209 WeakPolarHBondContact O-CB 3.27Å; S206-D209 PolarHBondContact O-N 3.28Å; S206-I552 WeakPolarHBondContact O-CD1 3.13Å
207	V	98.3	Very high	97.9	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.089	C	C	.	.	G	3₁₀ helix	trans	-71.6	-16.4	174.7	71.8	0	0	0	0	112.9	W154 L205 I546 E547 F550 I552 F558	W154-V207 HydrophobicContact CE3-CG1 4.16Å; W154-V207 HydrophobicContact CH2-CG1 4.13Å; W154-V207 HydrophobicContact CH2-CG2 4.41Å; W154-V207 HydrophobicContact CZ3-CG1 3.58Å; L205-V207 HydrophobicContact CB-CG1 3.98Å; L205-V207 HydrophobicContact CD1-CG1 4.43Å; L205-V207 PolarHBondContact O-N 2.69Å; L205-V207 VanDerWaalsContact O-N 3.11Å; V207-I546 HydrophobicContact CG2-CG2 4.03Å; V207-E547 HydrophobicContact CG2-CG 3.94Å; V207-F550 WeakPolarHBondContact O-CB 3.49Å; V207-I552 HydrophobicContact CG2-CG1 4.26Å; V207-I552 WeakPolarHBondContact O-CD1 3.27Å; V207-I552 WeakPolarHBondContact O-CG1 3.43Å; V207-F558 HydrophobicContact CB-CE2 4.07Å; V207-F558 HydrophobicContact CG2-CE2 4.35Å
208	Y	98.6	Very high	97.8	Very high	9 Å²	9	19.6 Å²	19.6	4%	0.035	10%	0.098	C	C	.	.	G	3₁₀ helix	trans	-99.2	14.2	175.7	-54.4	-36.9	0	0	0	112.9	W154 W192 T202 L205 S206 A210 I546 F550	W154-Y208 HydrophobicContact CZ3-CE1 4.35Å; W192-Y208 AromaticContact CE2-CD1 3.83Å; W192-Y208 AromaticContact CE2-CE1 3.56Å; W192-Y208 AromaticContact CE2-CZ 3.99Å; W192-Y208 HydrophobicContact CZ2-CD1 4.04Å; W192-Y208 AromaticContact CZ2-CE1 3.4Å; W192-Y208 HydrophobicContact CZ2-CE1 3.4Å; W192-Y208 AromaticContact CZ2-CZ 3.9Å; W192-Y208 AromaticContact NE1-CD1 3.36Å; W192-Y208 AromaticContact NE1-CD2 3.71Å; W192-Y208 AromaticContact NE1-CE1 3.3Å; W192-Y208 VanDerWaalsContact NE1-CE1 3.3Å; W192-Y208 AromaticContact NE1-CE2 3.63Å; W192-Y208 AromaticContact NE1-CG 3.59Å; W192-Y208 AromaticContact NE1-CZ 3.46Å; T202-Y208 WeakPolarHBondContact O-CD2 3.43Å; T202-Y208 VanDerWaalsContact O-CE2 3.22Å; T202-Y208 WeakPolarHBondContact O-CE2 3.31Å; L205-Y208 HydrophobicContact CB-CD2 3.78Å; L205-Y208 HydrophobicContact CB-CE2 4.01Å; L205-Y208 HydrophobicContact CB-CG 4.43Å; L205-Y208 HydrophobicContact CD1-CD2 4.38Å; L205-Y208 HydrophobicContact CD1-CE2 3.74Å; L205-Y208 HydrophobicContact CG-CD2 4.27Å; L205-Y208 HydrophobicContact CG-CE2 4.08Å; L205-Y208 WeakPolarHBondContact O-CB 3.42Å; L205-Y208 PolarHBondContact O-N 2.83Å; S206-Y208 PolarHBondContact O-N 3.04Å; Y208-A210 PolarHBondContact O-N 3.3Å; Y208-I546 HydrophobicContact CD1-CG2 3.94Å; Y208-I546 HydrophobicContact CE1-CD1 4.26Å; Y208-I546 HydrophobicContact CE1-CG2 3.67Å; Y208-F550 HydrophobicContact CD1-CD2 4.36Å; Y208-F550 AromaticContact CD1-CE2 3.89Å; Y208-F550 HydrophobicContact CD1-CE2 3.89Å; Y208-F550 AromaticContact CD1-CZ 3.99Å; Y208-F550 HydrophobicContact CD1-CZ 3.99Å
209	D	98.2	Very high	97.8	Very high	18 Å²	18	19.6 Å²	19.6	10%	0.096	10%	0.098	C	C	.	.			trans	-64.8	98.3	172.9	179.3	7.2	0	0	0	110.4	S206 R211 I552	S206-D209 WeakPolarHBondContact O-CB 3.27Å; S206-D209 PolarHBondContact O-N 3.28Å; D209-R211 VanDerWaalsContact C-N 3.28Å; D209-R211 PolarHBondContact O-N 2.93Å; D209-R211 WeakPolarHBondContact OD1-CB 3.46Å; D209-R211 VanDerWaalsContact OD1-CG 3.27Å; D209-R211 WeakPolarHBondContact OD1-CG 3.34Å; D209-R211 IonicContact OD1-CZ 3.51Å; D209-R211 PolarHBondContact OD1-N 3.29Å; D209-R211 IonicContact OD1-NE 2.79Å; D209-R211 PolarHBondContact OD1-NE 3.05Å; D209-R211 IonicContact OD1-NH2 3.68Å; D209-R211 IonicContact OD2-CZ 3.52Å; D209-R211 VanDerWaalsContact OD2-CZ 3.3Å; D209-R211 IonicContact OD2-NE 2.69Å; D209-R211 PolarHBondContact OD2-NE 2.83Å; D209-R211 VanDerWaalsContact OD2-NE 3.09Å; D209-R211 IonicContact OD2-NH2 3.33Å; D209-R211 PolarHBondContact OD2-NH2 3.01Å; D209-I552 HydrophobicContact CB-CD1 4.34Å
210	A	98.6	Very high	97.8	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.9	8.5	-172.9	0	0	0	0	0	114.2	W170 Y208 F212 L213 A214 V221 F550	W170-A210 HydrophobicContact CB-CB 4.39Å; W170-A210 HydrophobicContact CD2-CB 3.7Å; W170-A210 HydrophobicContact CE3-CB 3.8Å; W170-A210 HydrophobicContact CG-CB 3.98Å; W170-A210 HydrophobicContact CZ3-CB 4.29Å; Y208-A210 PolarHBondContact O-N 3.3Å; A210-F212 PolarHBondContact O-N 3.29Å; A210-L213 PolarHBondContact O-N 3Å; A210-A214 WeakPolarHBondContact O-CB 3.26Å; A210-A214 PolarHBondContact O-N 3.17Å; A210-V221 HydrophobicContact CB-CB 3.57Å; A210-V221 HydrophobicContact CB-CG1 3.47Å; A210-V221 VanDerWaalsContact CB-CG1 3.47Å; A210-V221 HydrophobicContact CB-CG2 4.02Å; A210-F550 HydrophobicContact CB-CD1 3.98Å; A210-F550 HydrophobicContact CB-CE1 4.05Å
211	R	98.2	Very high	97.9	Very high	32 Å²	32	16.1 Å²	16.1	12%	0.121	8%	0.082	C	C	.	.	H	α-helix	trans	-55	-42.2	176	-73.7	179.8	-67.8	175	4.6	111.7	E84 V86 V96 V98 W170 D209 A215	E84-R211 IonicContact OE2-NH1 3.76Å; E84-R211 PolarHBondContact OE2-NH1 2.92Å; V86-R211 HydrophobicContact CG2-CB 3.87Å; V96-R211 HydrophobicContact CB-CG 4.47Å; V96-R211 HydrophobicContact CG1-CG 4.39Å; V96-R211 HydrophobicContact CG2-CB 4.47Å; V98-R211 HydrophobicContact CG2-CG 4.17Å; W170-R211 VanDerWaalsContact CD1-CG 3.49Å; D209-R211 VanDerWaalsContact C-N 3.28Å; D209-R211 PolarHBondContact O-N 2.93Å; D209-R211 WeakPolarHBondContact OD1-CB 3.46Å; D209-R211 VanDerWaalsContact OD1-CG 3.27Å; D209-R211 WeakPolarHBondContact OD1-CG 3.34Å; D209-R211 IonicContact OD1-CZ 3.51Å; D209-R211 PolarHBondContact OD1-N 3.29Å; D209-R211 IonicContact OD1-NE 2.79Å; D209-R211 PolarHBondContact OD1-NE 3.05Å; D209-R211 IonicContact OD1-NH2 3.68Å; D209-R211 IonicContact OD2-CZ 3.52Å; D209-R211 VanDerWaalsContact OD2-CZ 3.3Å; D209-R211 IonicContact OD2-NE 2.69Å; D209-R211 PolarHBondContact OD2-NE 2.83Å; D209-R211 VanDerWaalsContact OD2-NE 3.09Å; D209-R211 IonicContact OD2-NH2 3.33Å; D209-R211 PolarHBondContact OD2-NH2 3.01Å; R211-A215 WeakPolarHBondContact O-CB 3.35Å; R211-A215 PolarHBondContact O-N 2.92Å
212	F	98.1	Very high	97.9	Very high	4 Å²	4	15.7 Å²	15.7	2%	0.018	8%	0.078	C	C	.	.	H	α-helix	trans	-70.3	-50.8	-177.7	-57.3	-84.4	0	0	0	111.5	V86 W88 A210 A214 A215 R216 F554 S555	V86-F212 HydrophobicContact CG1-CD1 3.66Å; V86-F212 HydrophobicContact CG1-CE1 3.7Å; W88-F212 HydrophobicContact CH2-CB 4.17Å; W88-F212 HydrophobicContact CH2-CD1 4.08Å; W88-F212 HydrophobicContact CZ3-CD1 4.01Å; A210-F212 PolarHBondContact O-N 3.29Å; F212-A214 PolarHBondContact O-N 3.44Å; F212-A215 PolarHBondContact O-N 3.25Å; F212-R216 WeakPolarHBondContact O-CB 3.23Å; F212-R216 PolarHBondContact O-N 2.86Å; F212-F554 HydrophobicContact CD1-CB 3.5Å; F212-F554 HydrophobicContact CE1-CB 3.95Å; F212-F554 VanDerWaalsContact CE1-O 3.29Å; F212-F554 WeakPolarHBondContact CE1-O 3.3Å; F212-F554 HydrophobicContact CG-CB 4.22Å; F212-S555 VanDerWaalsContact CE2-CB 3.47Å
213	L	98.6	Very high	97.9	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-57.5	-48.8	175.5	175.7	59.5	0	0	0	111.7	M190 A210 Q217 I219 V221 F550 M577	M190-L213 HydrophobicContact SD-CD2 4.38Å; A210-L213 PolarHBondContact O-N 3Å; L213-Q217 HydrophobicContact CD1-CB 4.38Å; L213-Q217 HydrophobicContact CD1-CG 3.89Å; L213-Q217 VanDerWaalsContact O-CB 3.29Å; L213-Q217 WeakPolarHBondContact O-CB 3.29Å; L213-Q217 PolarHBondContact O-N 2.92Å; L213-I219 HydrophobicContact CD1-CD1 4.2Å; L213-I219 HydrophobicContact CG-CD1 4.16Å; L213-V221 HydrophobicContact CB-CG2 4.43Å; L213-V221 HydrophobicContact CD2-CG2 3.81Å; L213-V221 HydrophobicContact CG-CG2 3.93Å; L213-F550 PolarHBondContact N-O 3.39Å; L213-M577 HydrophobicContact CB-SD 4.25Å; L213-M577 HydrophobicContact CD1-CB 3.88Å; L213-M577 HydrophobicContact CD1-CG 3.81Å; L213-M577 HydrophobicContact CD1-SD 4.16Å
214	A	98.4	Very high	98	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-61.1	-51.8	-179.7	0	0	0	0	0	111.9	W170 P172 A210 F212 N218 I219 V221	W170-A214 HydrophobicContact CB-CB 4.02Å; P172-A214 WeakPolarHBondContact CB-O 3.44Å; A210-A214 WeakPolarHBondContact O-CB 3.26Å; A210-A214 PolarHBondContact O-N 3.17Å; F212-A214 PolarHBondContact O-N 3.44Å; A214-N218 VanDerWaalsContact O-CA 3.31Å; A214-N218 WeakPolarHBondContact O-CA 3.1Å; A214-N218 PolarHBondContact O-N 2.62Å; A214-I219 VanDerWaalsContact CA-O 3.32Å; A214-I219 WeakPolarHBondContact CA-O 3.31Å; A214-I219 WeakPolarHBondContact CB-O 3.33Å; A214-I219 PolarHBondContact O-N 3.2Å; A214-V221 HydrophobicContact CB-CG2 4.22Å
215	A	96.5	Very high	98	Very high	17 Å²	17	15.3 Å²	15.3	14%	0.14	8%	0.075	C	C	.	.	H	α-helix	trans	-65.1	-47.4	-178.8	0	0	0	0	0	112.5	V86 W88 V96 R211 F212 Q217	V86-A215 HydrophobicContact CB-CB 4.48Å; V86-A215 HydrophobicContact CG2-CB 4.26Å; W88-A215 HydrophobicContact CZ2-CB 3.83Å; V96-A215 HydrophobicContact CG2-CB 3.68Å; R211-A215 WeakPolarHBondContact O-CB 3.35Å; R211-A215 PolarHBondContact O-N 2.92Å; F212-A215 PolarHBondContact O-N 3.25Å; A215-Q217 VanDerWaalsContact C-N 3.34Å; A215-Q217 PolarHBondContact O-N 3.18Å
216	R	94.9	Very high	98	Very high	119 Å²	119	15 Å²	15	45%	0.449	7%	0.074	S	C	.	.	H	α-helix	trans	-65.6	-39.3	-176.1	-169.3	67.3	168.6	109.1	-3.8	112.1	W88 F212 D574 M577	W88-R216 HydrophobicContact CH2-CB 3.69Å; W88-R216 HydrophobicContact CH2-CG 4.33Å; W88-R216 HydrophobicContact CZ2-CB 4.18Å; W88-R216 HydrophobicContact CZ3-CB 4.4Å; F212-R216 WeakPolarHBondContact O-CB 3.23Å; F212-R216 PolarHBondContact O-N 2.86Å; R216-D574 IonicContact CZ-OD1 3.29Å; R216-D574 IonicContact CZ-OD2 3.93Å; R216-D574 IonicContact NE-OD1 3.86Å; R216-D574 PolarHBondContact NE-OD1 3.39Å; R216-D574 IonicContact NE-OD2 2.92Å; R216-D574 VanDerWaalsContact NH2-CG 3.3Å; R216-D574 IonicContact NH2-OD1 3.15Å; R216-D574 PolarHBondContact NH2-OD1 3Å; R216-D574 IonicContact NH2-OD2 2.77Å; R216-D574 PolarHBondContact NH2-OD2 2.96Å; R216-M577 HydrophobicContact CB-CE 4.3Å; R216-M577 HydrophobicContact CB-SD 4.41Å; R216-M577 HydrophobicContact CG-CE 3.96Å
217	Q	96.1	Very high	98	Very high	18 Å²	18	13 Å²	13	8%	0.084	6%	0.059	C	C	.	.	H	α-helix	trans	-101.7	-3.9	-173.6	-62.2	-61.4	-34.9	0	0	113.2	L213 A215 I219 M577 T578 A581 R585	L213-Q217 HydrophobicContact CD1-CB 4.38Å; L213-Q217 HydrophobicContact CD1-CG 3.89Å; L213-Q217 VanDerWaalsContact O-CB 3.29Å; L213-Q217 WeakPolarHBondContact O-CB 3.29Å; L213-Q217 PolarHBondContact O-N 2.92Å; A215-Q217 VanDerWaalsContact C-N 3.34Å; A215-Q217 PolarHBondContact O-N 3.18Å; Q217-I219 VanDerWaalsContact C-N 3.3Å; Q217-I219 HydrophobicContact CB-CD1 4.39Å; Q217-I219 HydrophobicContact CB-CG1 4.06Å; Q217-I219 PolarHBondContact O-N 3.16Å; Q217-M577 HydrophobicContact CG-CB 3.89Å; Q217-T578 PolarHBondContact NE2-OG1 3.39Å; Q217-T578 VanDerWaalsContact NE2-OG1 3.08Å; Q217-A581 HydrophobicContact CB-CB 3.56Å; Q217-A581 HydrophobicContact CG-CB 3.71Å; Q217-R585 PolarHBondContact O-NH2 2.83Å
218	N	95.4	Very high	98.1	Very high	50 Å²	50	13.1 Å²	13.1	27%	0.267	6%	0.059	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.4	51.8	-177.9	-178.8	61.4	0	0	0	111.6	K174 L187 A214	K174-N218 WeakPolarHBondContact CE-ND2 3.5Å; K174-N218 VanDerWaalsContact CE-OD1 3.29Å; K174-N218 WeakPolarHBondContact CE-OD1 3.31Å; L187-N218 WeakPolarHBondContact CD2-ND2 3.45Å; A214-N218 VanDerWaalsContact O-CA 3.31Å; A214-N218 WeakPolarHBondContact O-CA 3.1Å; A214-N218 PolarHBondContact O-N 2.62Å
219	I	97.9	Very high	98	Very high	0 Å²	0	13 Å²	13	0%	0	6%	0.06	C	C	.	.			trans	-130	156.5	173.3	59.9	168.9	0	0	0	109.3	P172 A188 M190 L213 A214 Q217 V221 A581 R585	P172-I219 VanDerWaalsContact CD-O 3.24Å; P172-I219 WeakPolarHBondContact CD-O 3.34Å; P172-I219 WeakPolarHBondContact CG-O 3.37Å; A188-I219 HydrophobicContact CB-CG2 4.32Å; M190-I219 HydrophobicContact CB-CD1 4.49Å; M190-I219 HydrophobicContact CG-CD1 3.89Å; M190-I219 HydrophobicContact SD-CD1 3.35Å; M190-I219 WeakPolarHBondContact SD-CD1 3.47Å; L213-I219 HydrophobicContact CD1-CD1 4.2Å; L213-I219 HydrophobicContact CG-CD1 4.16Å; A214-I219 VanDerWaalsContact CA-O 3.32Å; A214-I219 WeakPolarHBondContact CA-O 3.31Å; A214-I219 WeakPolarHBondContact CB-O 3.33Å; A214-I219 PolarHBondContact O-N 3.2Å; Q217-I219 VanDerWaalsContact C-N 3.3Å; Q217-I219 HydrophobicContact CB-CD1 4.39Å; Q217-I219 HydrophobicContact CB-CG1 4.06Å; Q217-I219 PolarHBondContact O-N 3.16Å; I219-V221 HydrophobicContact CD1-CG2 4.26Å; I219-V221 HydrophobicContact CG1-CG2 4.3Å; I219-A581 HydrophobicContact CD1-CB 3.94Å; I219-A581 HydrophobicContact CG2-CB 4.24Å; I219-R585 HydrophobicContact CG2-CG 4.45Å
220	I	98.7	Very high	98	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	135.6	169.4	-63.6	-177.9	0	0	0	108.6	I169 W170 V171 L187 A188 V189 M190 I261 F264 G266	I169-I220 HydrophobicContact CG2-CG2 3.68Å; W170-I220 WeakPolarHBondContact O-CA 3.24Å; V171-I220 HydrophobicContact CG1-CD1 4.2Å; V171-I220 HydrophobicContact CG1-CG1 4.27Å; V171-I220 HydrophobicContact CG2-CD1 4.26Å; V171-I220 HydrophobicContact CG2-CG1 4.43Å; L187-I220 HydrophobicContact CB-CG1 4.15Å; L187-I220 HydrophobicContact CD1-CG1 4.08Å; A188-I220 PolarHBondContact O-N 3.23Å; V189-I220 CarbonylContact C-O 3.38Å; V189-I220 VanDerWaalsContact CA-O 3.31Å; V189-I220 WeakPolarHBondContact CA-O 3.31Å; V189-I220 HydrophobicContact CG1-CG2 4.32Å; V189-I220 HydrophobicContact CG2-CB 4.28Å; M190-I220 PolarHBondContact N-O 3.49Å; I220-I261 HydrophobicContact CG2-CD1 4.06Å; I220-F264 HydrophobicContact CD1-CB 4.35Å; I220-F264 VanDerWaalsContact CD1-O 3.32Å; I220-F264 WeakPolarHBondContact CD1-O 3.37Å; I220-G266 VanDerWaalsContact CD1-CA 3.45Å; I220-G266 VanDerWaalsContact CD1-N 3.31Å
221	V	98.9	Very high	98	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	138	169.8	-172.4	0	0	0	0	108.2	I169 W170 M190 A210 L213 A214 I219 F274	I169-V221 WeakPolarHBondContact CA-O 3.3Å; W170-V221 PolarHBondContact N-O 3.07Å; W170-V221 PolarHBondContact O-N 3.02Å; W170-V221 VanDerWaalsContact O-N 3.13Å; M190-V221 CarbonylContact O-C 3.45Å; M190-V221 WeakPolarHBondContact O-CA 3.25Å; A210-V221 HydrophobicContact CB-CB 3.57Å; A210-V221 HydrophobicContact CB-CG1 3.47Å; A210-V221 VanDerWaalsContact CB-CG1 3.47Å; A210-V221 HydrophobicContact CB-CG2 4.02Å; L213-V221 HydrophobicContact CB-CG2 4.43Å; L213-V221 HydrophobicContact CD2-CG2 3.81Å; L213-V221 HydrophobicContact CG-CG2 3.93Å; A214-V221 HydrophobicContact CB-CG2 4.22Å; I219-V221 HydrophobicContact CD1-CG2 4.26Å; I219-V221 HydrophobicContact CG1-CG2 4.3Å; V221-F274 HydrophobicContact CG1-CZ 4.23Å
222	A	98.9	Very high	98.1	Very high	0 Å²	0	11 Å²	11	0%	0	5%	0.052	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	153.7	172.7	0	0	0	0	0	110	N168 I169 M190 L191 W192 I257	N168-A222 CarbonylContact O-C 3.47Å; N168-A222 WeakPolarHBondContact O-CA 3.26Å; N168-A222 WeakPolarHBondContact O-CB 3.36Å; I169-A222 HydrophobicContact CG1-CB 4.25Å; M190-A222 PolarHBondContact O-N 3.12Å; L191-A222 CarbonylContact C-O 3.47Å; L191-A222 WeakPolarHBondContact CA-O 3.32Å; L191-A222 HydrophobicContact CD1-CB 3.78Å; W192-A222 PolarHBondContact N-O 3.13Å; A222-I257 HydrophobicContact CB-CD1 3.78Å
223	S	98.9	Very high	98.1	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	5%	0.052	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	154.7	175.3	67	0	0	0	0	110.2	L167 N168 W170	L167-S223 CarbonylContact C-O 3.2Å; L167-S223 WeakPolarHBondContact CA-O 3.4Å; L167-S223 WeakPolarHBondContact CB-O 3.39Å; N168-S223 PolarHBondContact N-O 3.04Å; N168-S223 PolarHBondContact ND2-OG 3.36Å; N168-S223 PolarHBondContact O-N 3.07Å; W170-S223 WeakPolarHBondContact CZ3-OG 3.22Å
224	M	98.9	Very high	98.1	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	5%	0.052	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	148.8	178.5	70.2	-80	-150.1	0	0	113.5	Y104 F166 L167 L191 W192 I193 Y194 Q250 A253 M254	Y104-M224 HydrophobicContact CE1-CB 4.04Å; F166-M224 WeakPolarHBondContact O-CA 3Å; L167-M224 HydrophobicContact CB-CB 3.97Å; L191-M224 HydrophobicContact CD1-CE 4.44Å; L191-M224 HydrophobicContact CD1-SD 3.62Å; L191-M224 HydrophobicContact CD2-CE 4.1Å; L191-M224 HydrophobicContact CD2-SD 4.33Å; L191-M224 HydrophobicContact CG-CE 4.19Å; L191-M224 HydrophobicContact CG-SD 3.94Å; W192-M224 VanDerWaalsContact O-SD 3.33Å; I193-M224 HydrophobicContact CD1-CE 3.82Å; I193-M224 HydrophobicContact CG1-CE 3.61Å; I193-M224 HydrophobicContact CG1-SD 4.19Å; Y194-M224 WeakPolarHBondContact CD1-O 3.43Å; Y194-M224 WeakPolarHBondContact CE1-O 3.43Å; M224-Q250 HydrophobicContact CE-CB 3.94Å; M224-Q250 HydrophobicContact CE-CG 4.19Å; M224-A253 HydrophobicContact CB-CB 3.94Å; M224-A253 HydrophobicContact CE-CB 4.24Å; M224-A253 HydrophobicContact CG-CB 3.74Å; M224-A253 HydrophobicContact SD-CB 4.43Å; M224-M254 HydrophobicContact CE-CG 4.43Å
225	N	98.9	Very high	98.1	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	5%	0.053	C	C	.	.			trans	-79.2	147.7	162	-76.8	-7.9	0	0	0	110.9	Y104 P135 C164 F166 T202 S203	Y104-N225 WeakPolarHBondContact CE1-O 3.46Å; Y104-N225 PolarHBondContact OH-O 2.87Å; P135-N225 PolarHBondContact O-ND2 2.82Å; C164-N225 WeakPolarHBondContact O-CB 3.45Å; C164-N225 PolarHBondContact O-ND2 3.43Å; F166-N225 PolarHBondContact O-N 3.31Å; T202-N225 PolarHBondContact OG1-OD1 3.33Å; S203-N225 VanDerWaalsContact CB-OD1 3.25Å; S203-N225 WeakPolarHBondContact CB-OD1 3.27Å; S203-N225 PolarHBondContact N-OD1 2.68Å; S203-N225 PolarHBondContact OG-OD1 3.1Å
226	Y	98.9	Very high	98.1	Very high	0 Å²	0	11 Å²	11	0%	0	5%	0.049	C	C	.	.			trans	-141.7	155.7	171.8	60.9	-87.7	0	0	0	109.5	C137 I193 Y194 L228 Q250	C137-Y226 PolarHBondContact SG-O 3.27Å; I193-Y226 HydrophobicContact CG2-CD1 4.29Å; I193-Y226 HydrophobicContact CG2-CE1 3.79Å; Y194-Y226 HydrophobicContact CD1-CE1 4.17Å; Y194-Y226 AromaticContact CD2-CE1 3.9Å; Y194-Y226 HydrophobicContact CD2-CE1 3.9Å; Y194-Y226 AromaticContact CE1-CD1 3.98Å; Y194-Y226 HydrophobicContact CE1-CD1 3.98Å; Y194-Y226 AromaticContact CE1-CE1 3.87Å; Y194-Y226 HydrophobicContact CE1-CE1 3.87Å; Y194-Y226 HydrophobicContact CE2-CD1 4.23Å; Y194-Y226 AromaticContact CE2-CE1 3.53Å; Y194-Y226 HydrophobicContact CE2-CE1 3.53Å; Y194-Y226 AromaticContact CE2-CZ 3.78Å; Y194-Y226 HydrophobicContact CG-CE1 4.18Å; Y194-Y226 AromaticContact CZ-CD1 3.73Å; Y194-Y226 AromaticContact CZ-CE1 3.5Å; Y194-Y226 VanDerWaalsContact CZ-CE1 3.5Å; Y194-Y226 PolarHBondContact O-OH 3.43Å; Y194-Y226 PolarHBondContact OH-N 2.69Å; Y194-Y226 PolarHBondContact OH-O 3.19Å; Y226-L228 HydrophobicContact CD2-CD2 4.09Å; Y226-L228 HydrophobicContact CE2-CD2 3.51Å; Y226-Q250 HydrophobicContact CD1-CG 3.98Å; Y226-Q250 HydrophobicContact CD2-CG 4.46Å; Y226-Q250 HydrophobicContact CG-CG 3.84Å
227	R	98.9	Very high	98.1	Very high	7 Å²	7	10.6 Å²	10.6	3%	0.026	6%	0.056	C	C	.	.			trans	-64.6	141.8	-179.3	-76.3	172	-75.3	177	-4.8	111.9	P108 K115 L165 F231 D249	P108-R227 HydrophobicContact CG-CG 4.23Å; K115-R227 VanDerWaalsContact O-CZ 3.3Å; K115-R227 PolarHBondContact O-NH1 2.83Å; K115-R227 PolarHBondContact O-NH2 3.01Å; L165-R227 HydrophobicContact CD2-CG 4.19Å; R227-F231 HydrophobicContact CB-CB 4.35Å; R227-D249 VanDerWaalsContact CB-OD2 3.3Å; R227-D249 WeakPolarHBondContact CB-OD2 3.44Å; R227-D249 WeakPolarHBondContact CG-OD2 3.14Å; R227-D249 IonicContact CZ-OD1 2.69Å; R227-D249 IonicContact CZ-OD2 2.72Å; R227-D249 PolarHBondContact N-OD2 2.87Å; R227-D249 IonicContact NE-OD1 3.86Å; R227-D249 PolarHBondContact NE-OD1 3.07Å; R227-D249 IonicContact NE-OD2 3.17Å; R227-D249 PolarHBondContact NE-OD2 2.93Å; R227-D249 IonicContact NH2-OD1 3.66Å; R227-D249 PolarHBondContact NH2-OD1 3.45Å; R227-D249 IonicContact NH2-OD2 2.72Å
228	L	98.8	Very high	98.1	Very high	1 Å²	1	11.7 Å²	11.7	1%	0.005	6%	0.064	C	C	.	.			trans	-117	162.9	-174.8	-63.3	170.2	0	0	0	111.6	C137 Q139 Y194 F198 Y226 F231 G232	C137-L228 HydrophobicContact CB-CD1 4.44Å; Q139-L228 HydrophobicContact CB-CD1 4.33Å; Y194-L228 HydrophobicContact CE2-CD1 4.42Å; Y194-L228 HydrophobicContact CE2-CD2 4.21Å; F198-L228 CarbonylContact O-C 3.56Å; F198-L228 VanDerWaalsContact O-CA 3.31Å; F198-L228 WeakPolarHBondContact O-CA 3.5Å; F198-L228 WeakPolarHBondContact O-CD2 3.42Å; Y226-L228 HydrophobicContact CD2-CD2 4.09Å; Y226-L228 HydrophobicContact CE2-CD2 3.51Å; L228-F231 WeakPolarHBondContact O-CB 3.5Å; L228-F231 PolarHBondContact O-N 2.96Å; L228-F231 VanDerWaalsContact O-N 3.12Å; L228-G232 PolarHBondContact O-N 2.99Å; L228-G232 VanDerWaalsContact O-N 3.12Å
229	G	98.3	Very high	98.1	Very high	6 Å²	6	17.5 Å²	17.5	6%	0.062	9%	0.09	C	C	.	.	H	α-helix	trans	54	-139.8	177.2	0	0	0	0	0	112.1	F198 F231 G232 F233	F198-G229 PolarHBondContact O-N 3.26Å; G229-F231 PolarHBondContact O-N 3.05Å; G229-G232 PolarHBondContact O-N 3.21Å; G229-G232 VanDerWaalsContact O-N 3.16Å; G229-F233 WeakPolarHBondContact O-CB 3.47Å; G229-F233 PolarHBondContact O-N 3.27Å
230	S	98.1	Very high	98	Very high	2 Å²	2	19.8 Å²	19.8	1%	0.014	10%	0.1	C	C	.	.	H	α-helix	trans	-64.1	-26.9	176.3	58.5	0	0	0	0	113.1	F114 G232 L234 I351	F114-S230 WeakPolarHBondContact CD1-O 3.03Å; F114-S230 WeakPolarHBondContact CE1-O 3.41Å; S230-G232 VanDerWaalsContact C-N 3.26Å; S230-G232 PolarHBondContact O-N 3.14Å; S230-L234 WeakPolarHBondContact O-CB 3.48Å; S230-L234 PolarHBondContact O-N 2.94Å; S230-I351 WeakPolarHBondContact OG-CG2 3.43Å
231	F	98.6	Very high	97.9	Very high	7 Å²	7	19.8 Å²	19.8	3%	0.031	10%	0.1	C	C	.	.	H	α-helix	trans	-63.2	-34.9	174.9	-59.7	-85.9	0	0	0	112.1	F114 P138 E162 R227 L228 G229 I348 I351 L352	F114-F231 HydrophobicContact CE1-CD1 4.49Å; P138-F231 HydrophobicContact CB-CD2 4.07Å; P138-F231 HydrophobicContact CB-CE2 3.74Å; P138-F231 HydrophobicContact CB-CZ 4.18Å; P138-F231 HydrophobicContact CG-CE2 4.42Å; E162-F231 HydrophobicContact CG-CD1 4.37Å; E162-F231 HydrophobicContact CG-CE1 4.18Å; R227-F231 HydrophobicContact CB-CB 4.35Å; L228-F231 WeakPolarHBondContact O-CB 3.5Å; L228-F231 PolarHBondContact O-N 2.96Å; L228-F231 VanDerWaalsContact O-N 3.12Å; G229-F231 PolarHBondContact O-N 3.05Å; F231-I348 HydrophobicContact CZ-CG1 4.38Å; F231-I348 HydrophobicContact CZ-CG2 4.4Å; F231-I351 HydrophobicContact CD2-CG2 4.44Å; F231-I351 HydrophobicContact CE1-CD1 3.73Å; F231-I351 HydrophobicContact CE2-CB 4.25Å; F231-I351 HydrophobicContact CE2-CG2 3.66Å; F231-I351 HydrophobicContact CZ-CB 3.9Å; F231-I351 HydrophobicContact CZ-CD1 3.7Å; F231-I351 HydrophobicContact CZ-CG1 4.4Å; F231-I351 HydrophobicContact CZ-CG2 3.75Å; F231-L352 HydrophobicContact CE2-CD2 4.4Å
232	G	98.6	Very high	97.8	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-97	-26.2	-178.8	0	0	0	0	0	115	L228 G229 S230 N244 M245 G246	L228-G232 PolarHBondContact O-N 2.99Å; L228-G232 VanDerWaalsContact O-N 3.12Å; G229-G232 PolarHBondContact O-N 3.21Å; G229-G232 VanDerWaalsContact O-N 3.16Å; S230-G232 VanDerWaalsContact C-N 3.26Å; S230-G232 PolarHBondContact O-N 3.14Å; G232-N244 CarbonylContact O-C 3.45Å; G232-M245 CarbonylContact O-C 3.58Å; G232-M245 WeakPolarHBondContact O-CA 3.38Å; G232-M245 WeakPolarHBondContact O-CB 3.35Å; G232-M245 PolarHBondContact O-N 3.48Å; G232-G246 PolarHBondContact O-N 3.46Å
233	F	98.7	Very high	97.8	Very high	1 Å²	1	20.4 Å²	20.4	0%	0.004	10%	0.104	C	C	.	.	H	α-helix	trans	-137.1	9	-163.6	-61	-81	0	0	0	114.7	F198 G229 Y235 L247 F369 P371	F198-F233 HydrophobicContact CB-CD2 4.19Å; F198-F233 HydrophobicContact CB-CE2 3.87Å; F198-F233 HydrophobicContact CB-CZ 4.37Å; F198-F233 HydrophobicContact CD1-CE1 4.13Å; F198-F233 AromaticContact CD1-CE2 3.75Å; F198-F233 HydrophobicContact CD1-CE2 3.75Å; F198-F233 AromaticContact CD1-CZ 3.42Å; F198-F233 HydrophobicContact CD1-CZ 3.42Å; F198-F233 VanDerWaalsContact CD1-CZ 3.42Å; F198-F233 HydrophobicContact CE1-CE1 4.46Å; F198-F233 HydrophobicContact CE1-CZ 4.02Å; F198-F233 HydrophobicContact CG-CE2 4.23Å; F198-F233 HydrophobicContact CG-CZ 4.24Å; G229-F233 WeakPolarHBondContact O-CB 3.47Å; G229-F233 PolarHBondContact O-N 3.27Å; F233-Y235 PolarHBondContact O-N 2.84Å; F233-L247 HydrophobicContact CE1-CD2 4.33Å; F233-L247 HydrophobicContact CE1-CG 4.08Å; F233-F369 HydrophobicContact CB-CB 3.96Å; F233-F369 WeakPolarHBondContact CB-O 3.34Å; F233-P371 HydrophobicContact CD1-CB 4.25Å; F233-P371 HydrophobicContact CD1-CG 4.2Å; F233-P371 HydrophobicContact CE1-CB 4.08Å; F233-P371 HydrophobicContact CE1-CG 3.74Å; F233-P371 HydrophobicContact CZ-CG 4.46Å
234	L	98.1	Very high	97.7	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.104	C	C	.	.			trans	-59.2	133	168.5	-176.9	123.4	0	0	0	111.1	F114 S230 M236 A241 G243 M245 T322 L325 L343	F114-L234 HydrophobicContact CB-CD2 4.37Å; F114-L234 HydrophobicContact CD1-CB 4.19Å; F114-L234 HydrophobicContact CD1-CD2 4.1Å; F114-L234 HydrophobicContact CE1-CB 4.48Å; F114-L234 HydrophobicContact CG-CD2 4.09Å; S230-L234 WeakPolarHBondContact O-CB 3.48Å; S230-L234 PolarHBondContact O-N 2.94Å; L234-M236 HydrophobicContact CD2-CG 4.07Å; L234-M236 HydrophobicContact CD2-SD 4.09Å; L234-A241 HydrophobicContact CD2-CB 3.81Å; L234-G243 WeakPolarHBondContact O-CA 3.44Å; L234-G243 PolarHBondContact O-N 3.29Å; L234-M245 HydrophobicContact CB-CE 4.23Å; L234-M245 VanDerWaalsContact O-CE 3.32Å; L234-M245 WeakPolarHBondContact O-CE 3.45Å; L234-T322 HydrophobicContact CD1-CG2 3.82Å; L234-T322 HydrophobicContact CD2-CG2 4.28Å; L234-T322 HydrophobicContact CG-CG2 3.78Å; L234-L325 HydrophobicContact CD1-CD2 3.84Å; L234-L343 HydrophobicContact CD1-CD1 4.25Å; L234-L343 HydrophobicContact CD2-CD1 4.32Å
235	Y	98.2	Very high	97.7	Very high	6 Å²	6	20.4 Å²	20.4	2%	0.024	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	118.1	-173.3	178.1	-113.1	0	0	0	110.9	F233 N237 P242 S315 L319 T322 V372 D374	F233-Y235 PolarHBondContact O-N 2.84Å; Y235-N237 HydrophobicContact CE1-CB 4.09Å; Y235-N237 HydrophobicContact CE2-CB 4.08Å; Y235-N237 WeakPolarHBondContact OH-CB 3.27Å; Y235-N237 VanDerWaalsContact OH-CG 3.23Å; Y235-N237 PolarHBondContact OH-OD1 2.94Å; Y235-N237 VanDerWaalsContact OH-OD1 3.12Å; Y235-P242 WeakPolarHBondContact CD2-O 3.46Å; Y235-P242 VanDerWaalsContact CE2-O 3.32Å; Y235-P242 WeakPolarHBondContact CE2-O 3.37Å; Y235-S315 PolarHBondContact OH-OG 2.87Å; Y235-L319 HydrophobicContact CD1-CD2 3.95Å; Y235-L319 HydrophobicContact CD1-CG 3.69Å; Y235-L319 HydrophobicContact CE1-CD1 4.08Å; Y235-L319 HydrophobicContact CE1-CD2 4.02Å; Y235-L319 HydrophobicContact CE1-CG 3.64Å; Y235-T322 PolarHBondContact N-OG1 3.08Å; Y235-T322 WeakPolarHBondContact O-CB 3.45Å; Y235-T322 PolarHBondContact O-OG1 2.78Å; Y235-V372 HydrophobicContact CD1-CG2 4.09Å; Y235-V372 HydrophobicContact CD2-CG1 3.98Å; Y235-V372 HydrophobicContact CD2-CG2 4.41Å; Y235-V372 HydrophobicContact CE1-CG2 4.28Å; Y235-V372 HydrophobicContact CG-CG1 4.15Å; Y235-V372 HydrophobicContact CG-CG2 4.16Å; Y235-D374 HydrophobicContact CE2-CB 4.12Å
236	M	97.2	Very high	97.7	Very high	13 Å²	13	20.4 Å²	20.4	6%	0.064	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	0.5	175.7	-63.2	178.9	63.3	0	0	112.9	L234 T238 A241 T322 S336 Q339 I340 L343	L234-M236 HydrophobicContact CD2-CG 4.07Å; L234-M236 HydrophobicContact CD2-SD 4.09Å; M236-T238 HydrophobicContact CB-CG2 4.3Å; M236-T238 PolarHBondContact O-N 3.34Å; M236-A241 HydrophobicContact CB-CB 3.92Å; M236-A241 HydrophobicContact CG-CB 3.82Å; M236-A241 PolarHBondContact N-O 3.1Å; M236-A241 HydrophobicContact SD-CB 3.79Å; M236-T322 HydrophobicContact CG-CG2 3.83Å; M236-S336 WeakPolarHBondContact CE-O 3.37Å; M236-Q339 HydrophobicContact CE-CB 4.13Å; M236-Q339 HydrophobicContact CE-CG 3.96Å; M236-I340 HydrophobicContact CE-CB 4.08Å; M236-I340 HydrophobicContact SD-CB 4.03Å; M236-I340 HydrophobicContact SD-CD1 3.81Å; M236-I340 HydrophobicContact SD-CG1 4.34Å; M236-L343 HydrophobicContact SD-CD1 4.19Å
237	N	95.4	Very high	97.7	Very high	111 Å²	111	20.4 Å²	20.4	59%	0.594	10%	0.104	S	C	*	.	E	Extended strand (participates in β ladder)	trans	53.4	39.8	-171.2	-163.8	29.5	0	0	0	113.1	Y235 L319	Y235-N237 HydrophobicContact CE1-CB 4.09Å; Y235-N237 HydrophobicContact CE2-CB 4.08Å; Y235-N237 WeakPolarHBondContact OH-CB 3.27Å; Y235-N237 VanDerWaalsContact OH-CG 3.23Å; Y235-N237 PolarHBondContact OH-OD1 2.94Å; Y235-N237 VanDerWaalsContact OH-OD1 3.12Å; N237-L319 HydrophobicContact CB-CD2 4.4Å
238	T	96	Very high	97.7	Very high	42 Å²	42	21 Å²	21	26%	0.258	11%	0.106	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	164.2	176.4	65.9	0	0	0	0	110.2	M236 E240 A241 P242	M236-T238 HydrophobicContact CB-CG2 4.3Å; M236-T238 PolarHBondContact O-N 3.34Å; T238-E240 PolarHBondContact O-N 2.85Å; T238-E240 PolarHBondContact OG1-N 2.92Å; T238-A241 CarbonylContact O-C 3.57Å; T238-A241 PolarHBondContact O-N 3.2Å; T238-A241 PolarHBondContact OG1-N 3.38Å; T238-P242 WeakPolarHBondContact O-CA 3.48Å; T238-P242 WeakPolarHBondContact O-CB 3.29Å
239	E	94.7	Very high	97.7	Very high	172 Å²	172	20.9 Å²	20.9	80%	0.804	11%	0.106	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-29.4	173.1	-171.2	178.8	173.7	0	0	112.5
240	E	96.6	Very high	97.8	Very high	48 Å²	48	20.6 Å²	20.6	22%	0.224	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-24.6	-178.5	-65.6	-65.7	136.1	0	0	113.6	F114 K115 T238 I340 R344	F114-E240 CarbonylContact C-O 3.54Å; K115-E240 WeakPolarHBondContact CE-OE1 3.49Å; K115-E240 WeakPolarHBondContact CE-OE2 3.44Å; K115-E240 VanDerWaalsContact NZ-CD 3.29Å; K115-E240 IonicContact NZ-OE1 3.87Å; K115-E240 PolarHBondContact NZ-OE1 2.84Å; K115-E240 IonicContact NZ-OE2 3.09Å; K115-E240 PolarHBondContact NZ-OE2 2.89Å; K115-E240 VanDerWaalsContact NZ-OE2 3.13Å; T238-E240 PolarHBondContact O-N 2.85Å; T238-E240 PolarHBondContact OG1-N 2.92Å; E240-I340 HydrophobicContact CB-CG1 4.09Å; E240-I340 HydrophobicContact CB-CG2 4.33Å; E240-R344 PolarHBondContact O-NH2 2.68Å; E240-R344 IonicContact OE2-CZ 3.77Å; E240-R344 IonicContact OE2-NH1 3.13Å; E240-R344 PolarHBondContact OE2-NH1 3Å; E240-R344 IonicContact OE2-NH2 3.19Å; E240-R344 PolarHBondContact OE2-NH2 2.85Å
241	A	97.5	Very high	97.8	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	74.6	176.8	0	0	0	0	0	110.5	F114 L234 M236 T238 G243 I340	F114-A241 HydrophobicContact CB-CB 4.16Å; F114-A241 WeakPolarHBondContact O-CA 3.36Å; L234-A241 HydrophobicContact CD2-CB 3.81Å; M236-A241 HydrophobicContact CB-CB 3.92Å; M236-A241 HydrophobicContact CG-CB 3.82Å; M236-A241 PolarHBondContact N-O 3.1Å; M236-A241 HydrophobicContact SD-CB 3.79Å; T238-A241 CarbonylContact O-C 3.57Å; T238-A241 PolarHBondContact O-N 3.2Å; T238-A241 PolarHBondContact OG1-N 3.38Å; A241-G243 PolarHBondContact O-N 3.49Å; A241-I340 HydrophobicContact CB-CD1 4.09Å
242	P	96.8	Very high	97.8	Very high	13 Å²	13	23.2 Å²	23.2	8%	0.084	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	-6.6	-171.2	30.7	-35.4	0	0	0	113.9	K116 Y235 T238	K116-P242 HydrophobicContact CG-CG 4Å; Y235-P242 WeakPolarHBondContact CD2-O 3.46Å; Y235-P242 VanDerWaalsContact CE2-O 3.32Å; Y235-P242 WeakPolarHBondContact CE2-O 3.37Å; T238-P242 WeakPolarHBondContact O-CA 3.48Å; T238-P242 WeakPolarHBondContact O-CB 3.29Å
243	G	97.1	Very high	97.8	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	11%	0.113	C	C	.	.	S	Bend	trans	81.7	167.2	-168.6	0	0	0	0	0	112.8	L234 A241 M245	L234-G243 WeakPolarHBondContact O-CA 3.44Å; L234-G243 PolarHBondContact O-N 3.29Å; A241-G243 PolarHBondContact O-N 3.49Å; G243-M245 VanDerWaalsContact CA-SD 3.57Å; G243-M245 PolarHBondContact O-N 3.24Å; G243-M245 VanDerWaalsContact O-N 3.09Å
244	N	98.6	Very high	97.8	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	11%	0.114	C	C	.	.			trans	55.4	25.6	176.3	-63.3	-36.1	0	0	0	115.1	G232 G246 L247 W248 P371 V372 D374 F377	G232-N244 CarbonylContact O-C 3.45Å; N244-G246 PolarHBondContact O-N 3.1Å; N244-L247 HydrophobicContact CB-CB 4.27Å; N244-L247 HydrophobicContact CB-CD1 4.12Å; N244-L247 HydrophobicContact CB-CG 4.28Å; N244-L247 WeakPolarHBondContact O-CB 3.18Å; N244-L247 PolarHBondContact O-N 3.39Å; N244-W248 PolarHBondContact O-N 2.95Å; N244-P371 VanDerWaalsContact OD1-CA 3.3Å; N244-P371 WeakPolarHBondContact OD1-CA 3.45Å; N244-P371 WeakPolarHBondContact OD1-CB 3.39Å; N244-V372 PolarHBondContact ND2-O 3.24Å; N244-V372 PolarHBondContact OD1-N 2.9Å; N244-D374 PolarHBondContact ND2-OD2 2.74Å; N244-F377 HydrophobicContact CB-CB 4.3Å
245	M	98.7	Very high	97.9	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-55.6	-39.1	178.1	-61.9	78.2	76	0	0	111.7	F114 K115 G232 L234 G243 L247 W248 D249	F114-M245 HydrophobicContact CB-CE 4.25Å; F114-M245 HydrophobicContact CD1-CE 4.35Å; F114-M245 WeakPolarHBondContact O-CG 3.44Å; K115-M245 WeakPolarHBondContact O-CG 3.16Å; G232-M245 CarbonylContact O-C 3.58Å; G232-M245 WeakPolarHBondContact O-CA 3.38Å; G232-M245 WeakPolarHBondContact O-CB 3.35Å; G232-M245 PolarHBondContact O-N 3.48Å; L234-M245 HydrophobicContact CB-CE 4.23Å; L234-M245 VanDerWaalsContact O-CE 3.32Å; L234-M245 WeakPolarHBondContact O-CE 3.45Å; G243-M245 VanDerWaalsContact CA-SD 3.57Å; G243-M245 PolarHBondContact O-N 3.24Å; G243-M245 VanDerWaalsContact O-N 3.09Å; M245-L247 VanDerWaalsContact C-N 3.32Å; M245-L247 PolarHBondContact O-N 3.22Å; M245-W248 CarbonylContact O-C 3.27Å; M245-W248 PolarHBondContact O-N 2.8Å; M245-W248 VanDerWaalsContact O-N 3.12Å; M245-D249 PolarHBondContact O-N 2.94Å
246	G	98.8	Very high	97.9	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-60.1	-36.7	173.7	0	0	0	0	0	113.5	G232 N244 D249 Q250	G232-G246 PolarHBondContact O-N 3.46Å; N244-G246 PolarHBondContact O-N 3.1Å; G246-D249 WeakPolarHBondContact O-CB 3.44Å; G246-D249 PolarHBondContact O-N 3.39Å; G246-Q250 VanDerWaalsContact O-CG 3.26Å; G246-Q250 WeakPolarHBondContact O-CG 3.4Å; G246-Q250 PolarHBondContact O-N 3.02Å; G246-Q250 VanDerWaalsContact O-N 3.09Å
247	L	98.9	Very high	98	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-73	-34.6	173.6	-57.1	-174.8	0	0	0	112	F233 N244 M245 D249 Q250 R251 T285 P371 F377 F378	F233-L247 HydrophobicContact CE1-CD2 4.33Å; F233-L247 HydrophobicContact CE1-CG 4.08Å; N244-L247 HydrophobicContact CB-CB 4.27Å; N244-L247 HydrophobicContact CB-CD1 4.12Å; N244-L247 HydrophobicContact CB-CG 4.28Å; N244-L247 WeakPolarHBondContact O-CB 3.18Å; N244-L247 PolarHBondContact O-N 3.39Å; M245-L247 VanDerWaalsContact C-N 3.32Å; M245-L247 PolarHBondContact O-N 3.22Å; L247-D249 VanDerWaalsContact C-N 3.31Å; L247-Q250 PolarHBondContact O-N 3.3Å; L247-R251 WeakPolarHBondContact O-CB 3.45Å; L247-R251 PolarHBondContact O-N 2.84Å; L247-T285 HydrophobicContact CD1-CG2 4.01Å; L247-T285 HydrophobicContact CD2-CG2 4.34Å; L247-P371 HydrophobicContact CD1-CB 3.95Å; L247-P371 HydrophobicContact CD1-CG 4.48Å; L247-F377 HydrophobicContact CB-CD1 4.45Å; L247-F377 HydrophobicContact CB-CD2 4.17Å; L247-F377 HydrophobicContact CB-CE1 4.09Å; L247-F377 HydrophobicContact CB-CE2 3.76Å; L247-F377 HydrophobicContact CB-CG 4.49Å; L247-F377 HydrophobicContact CB-CZ 3.71Å; L247-F377 HydrophobicContact CD1-CD1 3.73Å; L247-F377 HydrophobicContact CD1-CE1 3.62Å; L247-F377 HydrophobicContact CD1-CG 4.35Å; L247-F377 HydrophobicContact CD1-CZ 4.12Å; L247-F377 HydrophobicContact CG-CE1 4.47Å; L247-F378 HydrophobicContact CD1-CE2 3.88Å; L247-F378 HydrophobicContact CD1-CZ 3.95Å
248	W	98.8	Very high	98.1	Very high	18 Å²	18	21.5 Å²	21.5	7%	0.068	10%	0.1	C	C	.	.	H	α-helix	trans	-67	-33.9	172.5	-68.1	110.5	0	0	0	111.8	K116 P117 N244 M245 R251 L252 W291 F377	K116-W248 HydrophobicContact CD-CD2 4.02Å; K116-W248 HydrophobicContact CD-CG 4.15Å; K116-W248 HydrophobicContact CG-CD2 4.48Å; K116-W248 HydrophobicContact CG-CG 4.07Å; P117-W248 VanDerWaalsContact CD-CB 3.48Å; P117-W248 HydrophobicContact CG-CB 4.08Å; P117-W248 WeakPolarHBondContact CG-O 3.42Å; N244-W248 PolarHBondContact O-N 2.95Å; M245-W248 CarbonylContact O-C 3.27Å; M245-W248 PolarHBondContact O-N 2.8Å; M245-W248 VanDerWaalsContact O-N 3.12Å; W248-R251 PolarHBondContact O-N 2.86Å; W248-L252 WeakPolarHBondContact O-CB 3.49Å; W248-L252 PolarHBondContact O-N 2.82Å; W248-W291 HydrophobicContact CH2-CB 4.43Å; W248-W291 AromaticContact CH2-CD1 3.9Å; W248-W291 HydrophobicContact CH2-CD2 4.08Å; W248-W291 AromaticContact CH2-CG 3.91Å; W248-W291 HydrophobicContact CH2-CG 3.91Å; W248-W291 HydrophobicContact CZ3-CB 4.35Å; W248-W291 HydrophobicContact CZ3-CG 4.28Å; W248-F377 AromaticContact CD2-CD2 3.81Å; W248-F377 HydrophobicContact CD2-CD2 3.81Å; W248-F377 HydrophobicContact CD2-CE2 4.38Å; W248-F377 AromaticContact CE2-CD2 3.57Å; W248-F377 HydrophobicContact CE3-CD2 4.09Å; W248-F377 HydrophobicContact CE3-CE2 4.39Å; W248-F377 HydrophobicContact CG-CD2 4.39Å; W248-F377 AromaticContact CH2-CD2 3.93Å; W248-F377 HydrophobicContact CH2-CD2 3.93Å; W248-F377 HydrophobicContact CZ2-CB 3.82Å; W248-F377 AromaticContact CZ2-CD2 3.65Å; W248-F377 HydrophobicContact CZ2-CD2 3.65Å; W248-F377 HydrophobicContact CZ2-CG 4.22Å; W248-F377 HydrophobicContact CZ3-CD2 4.15Å
249	D	98.9	Very high	98.2	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-61.3	-53.3	172.3	-63.5	-17.5	0	0	0	110.4	Y104 P117 L165 R227 M245 G246 L247 R251 L252 A253	Y104-D249 VanDerWaalsContact CE2-O 3.26Å; Y104-D249 WeakPolarHBondContact CE2-O 3.21Å; P117-D249 VanDerWaalsContact CB-OD1 3.25Å; P117-D249 WeakPolarHBondContact CB-OD1 3.36Å; P117-D249 WeakPolarHBondContact CD-OD1 3.44Å; P117-D249 VanDerWaalsContact CG-OD1 3.3Å; P117-D249 WeakPolarHBondContact CG-OD1 3.16Å; L165-D249 HydrophobicContact CD2-CB 4.19Å; R227-D249 VanDerWaalsContact CB-OD2 3.3Å; R227-D249 WeakPolarHBondContact CB-OD2 3.44Å; R227-D249 WeakPolarHBondContact CG-OD2 3.14Å; R227-D249 IonicContact CZ-OD1 2.69Å; R227-D249 IonicContact CZ-OD2 2.72Å; R227-D249 PolarHBondContact N-OD2 2.87Å; R227-D249 IonicContact NE-OD1 3.86Å; R227-D249 PolarHBondContact NE-OD1 3.07Å; R227-D249 IonicContact NE-OD2 3.17Å; R227-D249 PolarHBondContact NE-OD2 2.93Å; R227-D249 IonicContact NH2-OD1 3.66Å; R227-D249 PolarHBondContact NH2-OD1 3.45Å; R227-D249 IonicContact NH2-OD2 2.72Å; M245-D249 PolarHBondContact O-N 2.94Å; G246-D249 WeakPolarHBondContact O-CB 3.44Å; G246-D249 PolarHBondContact O-N 3.39Å; L247-D249 VanDerWaalsContact C-N 3.31Å; D249-R251 VanDerWaalsContact C-N 3.31Å; D249-R251 PolarHBondContact O-N 3.44Å; D249-L252 PolarHBondContact O-N 3.03Å; D249-A253 PolarHBondContact O-N 3.11Å
250	Q	98.9	Very high	98.4	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-56	-45.9	176.6	-66.6	164.3	5.7	0	0	111.4	I193 M224 Y226 G246 L247 L252 A253 M254 S282 H286	I193-Q250 HydrophobicContact CG2-CG 4.29Å; M224-Q250 HydrophobicContact CE-CB 3.94Å; M224-Q250 HydrophobicContact CE-CG 4.19Å; Y226-Q250 HydrophobicContact CD1-CG 3.98Å; Y226-Q250 HydrophobicContact CD2-CG 4.46Å; Y226-Q250 HydrophobicContact CG-CG 3.84Å; G246-Q250 VanDerWaalsContact O-CG 3.26Å; G246-Q250 WeakPolarHBondContact O-CG 3.4Å; G246-Q250 PolarHBondContact O-N 3.02Å; G246-Q250 VanDerWaalsContact O-N 3.09Å; L247-Q250 PolarHBondContact O-N 3.3Å; Q250-L252 VanDerWaalsContact C-N 3.31Å; Q250-L252 PolarHBondContact O-N 3.22Å; Q250-A253 PolarHBondContact O-N 3.21Å; Q250-M254 WeakPolarHBondContact O-CG 3.37Å; Q250-M254 PolarHBondContact O-N 2.71Å; Q250-S282 PolarHBondContact NE2-OG 2.64Å; Q250-S282 VanDerWaalsContact OE1-CB 3.24Å; Q250-S282 PolarHBondContact OE1-OG 3.11Å; Q250-H286 WeakPolarHBondContact CB-NE2 3.42Å; Q250-H286 PolarHBondContact OE1-NE2 3.28Å
251	R	98.8	Very high	98.5	Very high	50 Å²	50	13 Å²	13	19%	0.189	6%	0.06	C	C	.	.	H	α-helix	trans	-59.3	-41.4	175.6	179.5	-173.8	171.6	-76.5	-3.3	112	L247 W248 D249 M254 K255 W291 Y295	L247-R251 WeakPolarHBondContact O-CB 3.45Å; L247-R251 PolarHBondContact O-N 2.84Å; W248-R251 PolarHBondContact O-N 2.86Å; D249-R251 VanDerWaalsContact C-N 3.31Å; D249-R251 PolarHBondContact O-N 3.44Å; R251-M254 WeakPolarHBondContact O-CB 3.41Å; R251-M254 PolarHBondContact O-N 3.08Å; R251-K255 PolarHBondContact O-N 2.81Å; R251-W291 PolarHBondContact NE-O 3.02Å; R251-Y295 HydrophobicContact CG-CD2 4.31Å; R251-Y295 HydrophobicContact CG-CE2 4.02Å; R251-Y295 PolarHBondContact NH2-OH 3.19Å
252	L	98.8	Very high	98.5	Very high	13 Å²	13	17.7 Å²	17.7	7%	0.068	8%	0.082	C	C	.	.	H	α-helix	trans	-68.5	-38.6	179.9	-172	58.7	0	0	0	111.7	Y104 A105 P117 E119 W248 D249 Q250 M254 K255 W256	Y104-L252 HydrophobicContact CD2-CB 4.29Å; Y104-L252 HydrophobicContact CD2-CG 4.26Å; Y104-L252 HydrophobicContact CE2-CB 4.4Å; A105-L252 HydrophobicContact CB-CD2 3.87Å; P117-L252 HydrophobicContact CB-CD2 3.76Å; P117-L252 HydrophobicContact CG-CB 4.11Å; P117-L252 HydrophobicContact CG-CD2 3.94Å; E119-L252 HydrophobicContact CG-CD1 3.64Å; E119-L252 HydrophobicContact CG-CD2 4.37Å; W248-L252 WeakPolarHBondContact O-CB 3.49Å; W248-L252 PolarHBondContact O-N 2.82Å; D249-L252 PolarHBondContact O-N 3.03Å; Q250-L252 VanDerWaalsContact C-N 3.31Å; Q250-L252 PolarHBondContact O-N 3.22Å; L252-M254 VanDerWaalsContact C-N 3.35Å; L252-K255 HydrophobicContact CD1-CD 4.42Å; L252-K255 PolarHBondContact O-N 3.45Å; L252-W256 PolarHBondContact O-N 2.99Å
253	A	98.9	Very high	98.5	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-60.9	-43.1	170.8	0	0	0	0	0	111.7	Y104 M224 D249 Q250 K255 W256 I257	Y104-A253 HydrophobicContact CD1-CB 3.94Å; Y104-A253 HydrophobicContact CD2-CB 3.77Å; Y104-A253 HydrophobicContact CE1-CB 3.92Å; Y104-A253 HydrophobicContact CE2-CB 3.79Å; Y104-A253 HydrophobicContact CG-CB 3.86Å; M224-A253 HydrophobicContact CB-CB 3.94Å; M224-A253 HydrophobicContact CE-CB 4.24Å; M224-A253 HydrophobicContact CG-CB 3.74Å; M224-A253 HydrophobicContact SD-CB 4.43Å; D249-A253 PolarHBondContact O-N 3.11Å; Q250-A253 PolarHBondContact O-N 3.21Å; A253-K255 VanDerWaalsContact C-N 3.32Å; A253-K255 PolarHBondContact O-N 2.75Å; A253-W256 WeakPolarHBondContact O-CB 3.41Å; A253-W256 PolarHBondContact O-N 2.77Å; A253-I257 WeakPolarHBondContact O-CG1 3.37Å; A253-I257 PolarHBondContact O-N 3.29Å
254	M	98.9	Very high	98.5	Very high	2 Å²	2	22.1 Å²	22.1	1%	0.01	10%	0.101	C	C	.	.	H	α-helix	trans	-59.9	-42	175	-66.4	165.2	61.5	0	0	112.1	L191 M224 Q250 R251 L252 I257 K258 L273 Y295 Y296	L191-M254 HydrophobicContact CD2-CB 4.35Å; L191-M254 HydrophobicContact CD2-CG 3.68Å; M224-M254 HydrophobicContact CE-CG 4.43Å; Q250-M254 WeakPolarHBondContact O-CG 3.37Å; Q250-M254 PolarHBondContact O-N 2.71Å; R251-M254 WeakPolarHBondContact O-CB 3.41Å; R251-M254 PolarHBondContact O-N 3.08Å; L252-M254 VanDerWaalsContact C-N 3.35Å; M254-I257 PolarHBondContact O-N 3.05Å; M254-K258 WeakPolarHBondContact O-CB 3.19Å; M254-K258 PolarHBondContact O-N 3.31Å; M254-L273 HydrophobicContact CE-CD1 3.48Å; M254-L273 VanDerWaalsContact CE-CD1 3.48Å; M254-L273 HydrophobicContact CE-CD2 3.97Å; M254-L273 HydrophobicContact CE-CG 4.19Å; M254-L273 HydrophobicContact CG-CD2 4.06Å; M254-L273 HydrophobicContact SD-CD1 3.92Å; M254-L273 HydrophobicContact SD-CD2 4.21Å; M254-Y295 HydrophobicContact CB-CD2 4.43Å; M254-Y295 HydrophobicContact CB-CG 4.43Å; M254-Y296 HydrophobicContact CE-CD1 3.32Å; M254-Y296 HydrophobicContact CE-CE1 3.83Å; M254-Y296 HydrophobicContact CE-CG 4.17Å
255	K	98.7	Very high	98.4	Very high	46 Å²	46	23.8 Å²	23.8	20%	0.2	12%	0.118	C	C	.	.	H	α-helix	trans	-61.8	-47	174.2	-180	179.5	-179.8	-65.3	0	111.1	E119 R251 L252 A253 I257 K258 D259 Y295	E119-K255 WeakPolarHBondContact OE1-CD 3.31Å; E119-K255 WeakPolarHBondContact OE1-CE 3.1Å; E119-K255 IonicContact OE1-NZ 2.65Å; E119-K255 PolarHBondContact OE1-NZ 3.5Å; R251-K255 PolarHBondContact O-N 2.81Å; L252-K255 HydrophobicContact CD1-CD 4.42Å; L252-K255 PolarHBondContact O-N 3.45Å; A253-K255 VanDerWaalsContact C-N 3.32Å; A253-K255 PolarHBondContact O-N 2.75Å; K255-I257 VanDerWaalsContact C-N 3.32Å; K255-I257 PolarHBondContact O-N 2.81Å; K255-K258 WeakPolarHBondContact O-CB 3.14Å; K255-K258 PolarHBondContact O-N 3.42Å; K255-K258 VanDerWaalsContact O-N 3.17Å; K255-D259 WeakPolarHBondContact CG-OD2 3.45Å; K255-D259 IonicContact NZ-OD2 3.31Å; K255-D259 PolarHBondContact NZ-OD2 3.1Å; K255-D259 WeakPolarHBondContact O-CB 3.47Å; K255-D259 VanDerWaalsContact O-CG 3.23Å; K255-D259 PolarHBondContact O-N 2.9Å; K255-Y295 HydrophobicContact CB-CD1 4.18Å; K255-Y295 HydrophobicContact CB-CD2 4.47Å; K255-Y295 HydrophobicContact CB-CE1 3.82Å; K255-Y295 HydrophobicContact CB-CE2 4.12Å; K255-Y295 HydrophobicContact CD-CE1 4.37Å; K255-Y295 HydrophobicContact CG-CD1 4.45Å; K255-Y295 HydrophobicContact CG-CE1 3.76Å
256	W	98.7	Very high	98.4	Very high	10 Å²	10	23.8 Å²	23.8	4%	0.038	12%	0.118	C	C	.	.	H	α-helix	trans	-56.5	-46.8	177.4	-172.2	102.5	0	0	0	111.4	V76 Y79 I102 L167 I169 L252 A253 D259 H260 F264	V76-W256 HydrophobicContact CG2-CZ2 4.46Å; Y79-W256 HydrophobicContact CE2-CH2 4.48Å; Y79-W256 AromaticContact CE2-CZ2 3.89Å; Y79-W256 HydrophobicContact CE2-CZ2 3.89Å; I102-W256 HydrophobicContact CD1-CH2 4.15Å; I102-W256 HydrophobicContact CG2-CH2 3.66Å; I102-W256 HydrophobicContact CG2-CZ2 3.31Å; I102-W256 HydrophobicContact CG2-CZ3 4.4Å; L167-W256 HydrophobicContact CD1-CE3 4.16Å; L167-W256 HydrophobicContact CD1-CH2 4.4Å; L167-W256 HydrophobicContact CD1-CZ3 3.9Å; L167-W256 HydrophobicContact CD2-CB 4.45Å; L167-W256 HydrophobicContact CD2-CD2 3.77Å; L167-W256 HydrophobicContact CD2-CE3 3.43Å; L167-W256 VanDerWaalsContact CD2-CE3 3.43Å; L167-W256 HydrophobicContact CD2-CG 4.21Å; L167-W256 HydrophobicContact CD2-CZ3 4.05Å; L167-W256 HydrophobicContact CG-CE3 4.38Å; I169-W256 HydrophobicContact CD1-CH2 4.14Å; I169-W256 HydrophobicContact CD1-CZ3 3.8Å; L252-W256 PolarHBondContact O-N 2.99Å; A253-W256 WeakPolarHBondContact O-CB 3.41Å; A253-W256 PolarHBondContact O-N 2.77Å; W256-D259 PolarHBondContact O-N 2.91Å; W256-H260 AromaticContact CD1-CD2 3.76Å; W256-H260 AromaticContact CD2-CD2 3.74Å; W256-H260 AromaticContact CE2-CD2 3.54Å; W256-H260 HydrophobicContact CE3-CB 4.37Å; W256-H260 AromaticContact CG-CD2 3.86Å; W256-H260 HydrophobicContact CH2-CB 4.05Å; W256-H260 HydrophobicContact CZ2-CB 4.2Å; W256-H260 HydrophobicContact CZ3-CB 4.13Å; W256-H260 AromaticContact NE1-CD2 3.6Å; W256-H260 WeakPolarHBondContact O-CB 3.36Å; W256-H260 PolarHBondContact O-CD2 2.98Å; W256-H260 VanDerWaalsContact O-CD2 3.3Å; W256-H260 PolarHBondContact O-N 2.8Å; W256-F264 AromaticContact CH2-CE2 3.71Å; W256-F264 HydrophobicContact CH2-CE2 3.71Å; W256-F264 AromaticContact CH2-CZ 3.95Å; W256-F264 HydrophobicContact CH2-CZ 3.95Å; W256-F264 HydrophobicContact CZ3-CE2 4.27Å
257	I	98.8	Very high	98.4	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-60.4	-49.3	176.3	-67.3	-71.4	0	0	0	109.9	L167 I169 V189 L191 A222 A253 M254 K255 D259 H260 I261 I271	L167-I257 HydrophobicContact CD1-CD1 4.2Å; L167-I257 HydrophobicContact CD2-CD1 4.08Å; L167-I257 HydrophobicContact CD2-CG1 4.26Å; I169-I257 HydrophobicContact CD1-CD1 4.28Å; I169-I257 HydrophobicContact CG1-CD1 4.5Å; V189-I257 HydrophobicContact CG1-CG2 4.28Å; L191-I257 HydrophobicContact CD1-CG1 4.27Å; L191-I257 HydrophobicContact CD2-CG1 4.29Å; A222-I257 HydrophobicContact CB-CD1 3.78Å; A253-I257 WeakPolarHBondContact O-CG1 3.37Å; A253-I257 PolarHBondContact O-N 3.29Å; M254-I257 PolarHBondContact O-N 3.05Å; K255-I257 VanDerWaalsContact C-N 3.32Å; K255-I257 PolarHBondContact O-N 2.81Å; I257-D259 VanDerWaalsContact C-N 3.25Å; I257-D259 PolarHBondContact O-N 2.96Å; I257-H260 PolarHBondContact O-N 2.88Å; I257-I261 HydrophobicContact CD1-CD1 4.19Å; I257-I261 HydrophobicContact CG2-CB 4.03Å; I257-I261 HydrophobicContact CG2-CD1 4.44Å; I257-I261 HydrophobicContact CG2-CG1 4.25Å; I257-I261 HydrophobicContact CG2-CG2 4.34Å; I257-I261 WeakPolarHBondContact O-CB 3.26Å; I257-I261 VanDerWaalsContact O-CG2 3.23Å; I257-I261 WeakPolarHBondContact O-CG2 3.4Å; I257-I261 PolarHBondContact O-N 3.08Å; I257-I271 HydrophobicContact CG2-CD1 3.92Å; I257-I271 HydrophobicContact CG2-CG1 4.41Å
258	K	98.7	Very high	98.3	Very high	38 Å²	38	25.5 Å²	25.5	17%	0.165	13%	0.128	C	C	.	.	H	α-helix	trans	-55.8	-40.1	178.5	178.9	63.7	173.9	168.2	0	112.8	M254 K255 P268 Y269 I271 Y295	M254-K258 WeakPolarHBondContact O-CB 3.19Å; M254-K258 PolarHBondContact O-N 3.31Å; K255-K258 WeakPolarHBondContact O-CB 3.14Å; K255-K258 PolarHBondContact O-N 3.42Å; K255-K258 VanDerWaalsContact O-N 3.17Å; K258-P268 HydrophobicContact CD-CB 3.89Å; K258-P268 WeakPolarHBondContact CD-O 3.3Å; K258-P268 WeakPolarHBondContact CE-O 3.28Å; K258-P268 VanDerWaalsContact NZ-C 3.28Å; K258-P268 PolarHBondContact NZ-O 3.07Å; K258-P268 WeakPolarHBondContact O-CB 3.42Å; K258-Y269 VanDerWaalsContact NZ-CD1 3.28Å; K258-I271 HydrophobicContact CB-CD1 4.28Å; K258-I271 HydrophobicContact CD-CD1 4.12Å; K258-Y295 HydrophobicContact CB-CD1 3.98Å; K258-Y295 HydrophobicContact CG-CD1 4.03Å
259	D	98.4	Very high	98.3	Very high	70 Å²	70	32.8 Å²	32.8	37%	0.374	16%	0.156	S	C	.	.	H	α-helix	trans	-80.9	-23.7	-174.5	-67.5	-13.7	0	0	0	113	K255 W256 I257	K255-D259 WeakPolarHBondContact CG-OD2 3.45Å; K255-D259 IonicContact NZ-OD2 3.31Å; K255-D259 PolarHBondContact NZ-OD2 3.1Å; K255-D259 WeakPolarHBondContact O-CB 3.47Å; K255-D259 VanDerWaalsContact O-CG 3.23Å; K255-D259 PolarHBondContact O-N 2.9Å; W256-D259 PolarHBondContact O-N 2.91Å; I257-D259 VanDerWaalsContact C-N 3.25Å; I257-D259 PolarHBondContact O-N 2.96Å
260	H	98.4	Very high	98.2	Very high	13 Å²	13	35.7 Å²	35.7	6%	0.06	17%	0.167	C	C	.	.	H	α-helix	trans	-126.4	-18.5	-168.7	-57.9	-43.5	0	0	0	115.9	T74 S75 W256 I257 E262 H263	T74-H260 HydrophobicContact CG2-CB 4.27Å; S75-H260 PolarHBondContact OG-CE1 2.7Å; W256-H260 AromaticContact CD1-CD2 3.76Å; W256-H260 AromaticContact CD2-CD2 3.74Å; W256-H260 AromaticContact CE2-CD2 3.54Å; W256-H260 HydrophobicContact CE3-CB 4.37Å; W256-H260 AromaticContact CG-CD2 3.86Å; W256-H260 HydrophobicContact CH2-CB 4.05Å; W256-H260 HydrophobicContact CZ2-CB 4.2Å; W256-H260 HydrophobicContact CZ3-CB 4.13Å; W256-H260 AromaticContact NE1-CD2 3.6Å; W256-H260 WeakPolarHBondContact O-CB 3.36Å; W256-H260 PolarHBondContact O-CD2 2.98Å; W256-H260 VanDerWaalsContact O-CD2 3.3Å; W256-H260 PolarHBondContact O-N 2.8Å; I257-H260 PolarHBondContact O-N 2.88Å; H260-E262 PolarHBondContact O-N 2.9Å; H260-H263 WeakPolarHBondContact O-CB 3.41Å; H260-H263 PolarHBondContact O-N 3.06Å; H260-H263 PolarHBondContact O-ND1 2.74Å
261	I	98.4	Very high	98.2	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-62	-22.5	-172.6	-155.9	63.7	0	0	0	113.8	I169 V189 I220 I257 H263 F264 G265 G266 P268	I169-I261 HydrophobicContact CD1-CD1 3.97Å; I169-I261 HydrophobicContact CG2-CD1 4.19Å; V189-I261 HydrophobicContact CG1-CG1 4.18Å; V189-I261 HydrophobicContact CG2-CG1 3.77Å; V189-I261 HydrophobicContact CG2-CG2 4.23Å; I220-I261 HydrophobicContact CG2-CD1 4.06Å; I257-I261 HydrophobicContact CD1-CD1 4.19Å; I257-I261 HydrophobicContact CG2-CB 4.03Å; I257-I261 HydrophobicContact CG2-CD1 4.44Å; I257-I261 HydrophobicContact CG2-CG1 4.25Å; I257-I261 HydrophobicContact CG2-CG2 4.34Å; I257-I261 WeakPolarHBondContact O-CB 3.26Å; I257-I261 VanDerWaalsContact O-CG2 3.23Å; I257-I261 WeakPolarHBondContact O-CG2 3.4Å; I257-I261 PolarHBondContact O-N 3.08Å; I261-H263 PolarHBondContact O-N 2.94Å; I261-F264 HydrophobicContact CD1-CB 4.19Å; I261-F264 HydrophobicContact CD1-CD2 4.32Å; I261-F264 HydrophobicContact CD1-CG 4.4Å; I261-F264 CarbonylContact O-C 3.57Å; I261-F264 WeakPolarHBondContact O-CA 3.5Å; I261-F264 WeakPolarHBondContact O-CB 3.48Å; I261-F264 PolarHBondContact O-N 3.29Å; I261-G265 PolarHBondContact O-N 3.39Å; I261-G266 WeakPolarHBondContact O-CA 3.47Å; I261-G266 PolarHBondContact O-N 3.26Å; I261-P268 HydrophobicContact CG2-CB 4.3Å
262	E	97.7	Very high	98.2	Very high	98 Å²	98	33.4 Å²	33.4	46%	0.458	16%	0.159	S	C	.	.	G	3₁₀ helix	trans	-56.4	-35.9	171.6	175.2	162.6	179.9	0	0	113	K186 H260 F264 G265 G266	K186-E262 HydrophobicContact CD-CG 4.39Å; K186-E262 VanDerWaalsContact CE-CD 3.45Å; K186-E262 VanDerWaalsContact CE-OE1 3.26Å; K186-E262 WeakPolarHBondContact CE-OE1 3.45Å; K186-E262 IonicContact NZ-OE1 2.7Å; K186-E262 PolarHBondContact NZ-OE1 3.24Å; K186-E262 IonicContact NZ-OE2 2.68Å; K186-E262 PolarHBondContact NZ-OE2 3.11Å; H260-E262 PolarHBondContact O-N 2.9Å; E262-F264 PolarHBondContact O-N 2.99Å; E262-G265 PolarHBondContact O-N 2.99Å; E262-G266 VanDerWaalsContact CA-O 3.29Å; E262-G266 WeakPolarHBondContact CA-O 3.3Å
263	H	97.3	Very high	98.2	Very high	97 Å²	97	32.8 Å²	32.8	45%	0.449	16%	0.156	S	C	.	.	G	3₁₀ helix	trans	-69.6	-19.1	178	-56.1	84.6	0	0	0	112.5	V72 H73 T74 H260 I261	V72-H263 HydrophobicContact CG1-CB 3.7Å; H73-H263 WeakPolarHBondContact O-CB 3.31Å; H73-H263 PolarHBondContact O-CD2 2.9Å; H73-H263 VanDerWaalsContact O-CG 3.3Å; T74-H263 HydrophobicContact CG2-CB 4.26Å; H260-H263 WeakPolarHBondContact O-CB 3.41Å; H260-H263 PolarHBondContact O-N 3.06Å; H260-H263 PolarHBondContact O-ND1 2.74Å; I261-H263 PolarHBondContact O-N 2.94Å
264	F	97.3	Very high	98.2	Very high	10 Å²	10	32.8 Å²	32.8	4%	0.044	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-94.3	5.1	174.2	-61.5	-97.6	0	0	0	111.9	V72 T74 Y79 Y99 I102 I169 V171 I220 W256 I261 E262	V72-F264 HydrophobicContact CB-CD1 4.18Å; V72-F264 HydrophobicContact CB-CE1 3.88Å; V72-F264 HydrophobicContact CB-CZ 4.13Å; V72-F264 HydrophobicContact CG1-CD1 4.02Å; V72-F264 HydrophobicContact CG1-CD2 3.92Å; V72-F264 HydrophobicContact CG1-CE1 3.81Å; V72-F264 HydrophobicContact CG1-CE2 3.71Å; V72-F264 HydrophobicContact CG1-CG 4.07Å; V72-F264 HydrophobicContact CG1-CZ 3.65Å; V72-F264 HydrophobicContact CG2-CD1 3.83Å; V72-F264 HydrophobicContact CG2-CE1 4Å; V72-F264 HydrophobicContact CG2-CG 4.36Å; T74-F264 HydrophobicContact CG2-CE2 4.05Å; T74-F264 HydrophobicContact CG2-CZ 4.49Å; Y79-F264 HydrophobicContact CD2-CZ 4.17Å; Y99-F264 HydrophobicContact CD1-CE1 4.04Å; Y99-F264 AromaticContact CD2-CD1 3.86Å; Y99-F264 HydrophobicContact CD2-CD1 3.86Å; Y99-F264 AromaticContact CD2-CE1 3.77Å; Y99-F264 HydrophobicContact CD2-CE1 3.77Å; Y99-F264 HydrophobicContact CE1-CE1 4.21Å; Y99-F264 AromaticContact CE2-CD1 3.77Å; Y99-F264 HydrophobicContact CE2-CD1 3.77Å; Y99-F264 AromaticContact CE2-CE1 3.95Å; Y99-F264 HydrophobicContact CE2-CE1 3.95Å; Y99-F264 HydrophobicContact CG-CD1 4.38Å; Y99-F264 AromaticContact CG-CE1 3.82Å; Y99-F264 HydrophobicContact CG-CE1 3.82Å; I102-F264 HydrophobicContact CD1-CE1 4.21Å; I102-F264 HydrophobicContact CD1-CZ 3.98Å; I169-F264 HydrophobicContact CD1-CD1 4.08Å; I169-F264 HydrophobicContact CD1-CD2 4.21Å; I169-F264 HydrophobicContact CD1-CE1 3.9Å; I169-F264 HydrophobicContact CD1-CE2 4.04Å; I169-F264 HydrophobicContact CD1-CG 4.24Å; I169-F264 HydrophobicContact CD1-CZ 3.87Å; I169-F264 HydrophobicContact CG2-CD1 4.32Å; V171-F264 VanDerWaalsContact CG1-O 3.32Å; V171-F264 WeakPolarHBondContact CG1-O 3.45Å; V171-F264 HydrophobicContact CG2-CB 4.09Å; V171-F264 HydrophobicContact CG2-CD1 4.34Å; I220-F264 HydrophobicContact CD1-CB 4.35Å; I220-F264 VanDerWaalsContact CD1-O 3.32Å; I220-F264 WeakPolarHBondContact CD1-O 3.37Å; W256-F264 AromaticContact CH2-CE2 3.71Å; W256-F264 HydrophobicContact CH2-CE2 3.71Å; W256-F264 AromaticContact CH2-CZ 3.95Å; W256-F264 HydrophobicContact CH2-CZ 3.95Å; W256-F264 HydrophobicContact CZ3-CE2 4.27Å; I261-F264 HydrophobicContact CD1-CB 4.19Å; I261-F264 HydrophobicContact CD1-CD2 4.32Å; I261-F264 HydrophobicContact CD1-CG 4.4Å; I261-F264 CarbonylContact O-C 3.57Å; I261-F264 WeakPolarHBondContact O-CA 3.5Å; I261-F264 WeakPolarHBondContact O-CB 3.48Å; I261-F264 PolarHBondContact O-N 3.29Å; E262-F264 PolarHBondContact O-N 2.99Å
265	G	96.3	Very high	98.2	Very high	35 Å²	35	32.7 Å²	32.7	36%	0.361	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.3	8.8	-176.2	0	0	0	0	0	114.7	K186 L187 I261 E262	K186-G265 CarbonylContact C-O 3.54Å; K186-G265 WeakPolarHBondContact CA-O 3.48Å; L187-G265 PolarHBondContact N-O 3.13Å; I261-G265 PolarHBondContact O-N 3.39Å; E262-G265 PolarHBondContact O-N 2.99Å
266	G	98	Very high	98.2	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	154.5	177.7	0	0	0	0	0	113.5	L187 I220 I261 E262 P268	L187-G266 CarbonylContact O-C 3.56Å; L187-G266 WeakPolarHBondContact O-CA 3.32Å; I220-G266 VanDerWaalsContact CD1-CA 3.45Å; I220-G266 VanDerWaalsContact CD1-N 3.31Å; I261-G266 WeakPolarHBondContact O-CA 3.47Å; I261-G266 PolarHBondContact O-N 3.26Å; E262-G266 VanDerWaalsContact CA-O 3.29Å; E262-G266 WeakPolarHBondContact CA-O 3.3Å; G266-P268 WeakPolarHBondContact O-CD 3.45Å
267	D	98	Very high	98.2	Very high	27 Å²	27	30.6 Å²	30.6	14%	0.144	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	109.1	176	-174.4	-11.4	0	0	0	109.4	K186 L187 Y269 R270	K186-D267 HydrophobicContact CB-CB 3.65Å; L187-D267 WeakPolarHBondContact O-CB 3.28Å; L187-D267 PolarHBondContact O-N 2.84Å; D267-Y269 PolarHBondContact O-N 2.96Å; D267-Y269 WeakPolarHBondContact OD1-CB 3.36Å; D267-Y269 PolarHBondContact OD1-N 2.96Å; D267-R270 HydrophobicContact CB-CB 4.09Å; D267-R270 HydrophobicContact CB-CG 4.46Å; D267-R270 PolarHBondContact O-N 3.03Å; D267-R270 WeakPolarHBondContact OD2-CG 3.31Å; D267-R270 IonicContact OD2-CZ 3.64Å; D267-R270 IonicContact OD2-NE 3.66Å; D267-R270 PolarHBondContact OD2-NE 2.87Å
268	P	98.1	Very high	98.2	Very high	9 Å²	9	30.6 Å²	30.6	6%	0.058	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	-14.9	-179.9	26.2	-33.8	0	0	0	112.6	K258 I261 G266 I271	K258-P268 HydrophobicContact CD-CB 3.89Å; K258-P268 WeakPolarHBondContact CD-O 3.3Å; K258-P268 WeakPolarHBondContact CE-O 3.28Å; K258-P268 VanDerWaalsContact NZ-C 3.28Å; K258-P268 PolarHBondContact NZ-O 3.07Å; K258-P268 WeakPolarHBondContact O-CB 3.42Å; I261-P268 HydrophobicContact CG2-CB 4.3Å; G266-P268 WeakPolarHBondContact O-CD 3.45Å; P268-I271 WeakPolarHBondContact O-CD1 3.43Å
269	Y	97.8	Very high	98.2	Very high	170 Å²	170	28.8 Å²	28.8	67%	0.667	14%	0.139	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-96.6	-7.7	178.4	-56.6	-79.4	0	0	0	113.8	K258 D267	K258-Y269 VanDerWaalsContact NZ-CD1 3.28Å; D267-Y269 PolarHBondContact O-N 2.96Å; D267-Y269 WeakPolarHBondContact OD1-CB 3.36Å; D267-Y269 PolarHBondContact OD1-N 2.96Å
270	R	97.9	Very high	98.3	Very high	61 Å²	61	25.5 Å²	25.5	23%	0.23	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	52.8	175.1	-64.1	-169.2	-70.8	170.1	-2.8	111.6	E185 K186 A188 V189 D267 R585	E185-R270 IonicContact OE1-NH2 3.33Å; E185-R270 PolarHBondContact OE1-NH2 2.92Å; K186-R270 PolarHBondContact O-NH2 3.23Å; A188-R270 HydrophobicContact CB-CB 4.19Å; V189-R270 PolarHBondContact N-O 3.38Å; D267-R270 HydrophobicContact CB-CB 4.09Å; D267-R270 HydrophobicContact CB-CG 4.46Å; D267-R270 PolarHBondContact O-N 3.03Å; D267-R270 WeakPolarHBondContact OD2-CG 3.31Å; D267-R270 IonicContact OD2-CZ 3.64Å; D267-R270 IonicContact OD2-NE 3.66Å; D267-R270 PolarHBondContact OD2-NE 2.87Å; R270-R585 WeakPolarHBondContact CD-O 3.43Å
271	I	98.9	Very high	98.3	Very high	2 Å²	2	24.9 Å²	24.9	1%	0.01	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	129	172.5	-61.6	163.9	0	0	0	109.2	V189 L191 I257 K258 P268 Y295 N297 N298	V189-I271 HydrophobicContact CB-CG1 4.02Å; V189-I271 HydrophobicContact CG1-CG1 4.48Å; V189-I271 HydrophobicContact CG2-CG1 4.38Å; V189-I271 CarbonylContact O-C 3.49Å; V189-I271 WeakPolarHBondContact O-CA 3.4Å; L191-I271 HydrophobicContact CB-CG2 4.49Å; I257-I271 HydrophobicContact CG2-CD1 3.92Å; I257-I271 HydrophobicContact CG2-CG1 4.41Å; K258-I271 HydrophobicContact CB-CD1 4.28Å; K258-I271 HydrophobicContact CD-CD1 4.12Å; P268-I271 WeakPolarHBondContact O-CD1 3.43Å; I271-Y295 WeakPolarHBondContact CD1-O 3.38Å; I271-N297 PolarHBondContact O-N 2.69Å; I271-N298 PolarHBondContact O-N 2.92Å
272	T	98.9	Very high	98.3	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	123.3	174.9	-63.5	0	0	0	0	109.5	V189 M190 L191 N298 I300 F583 A584	V189-T272 PolarHBondContact O-N 3.2Å; M190-T272 CarbonylContact C-O 3.58Å; M190-T272 WeakPolarHBondContact CA-O 3.35Å; L191-T272 PolarHBondContact N-O 3.27Å; T272-N298 CarbonylContact C-O 3.5Å; T272-N298 VanDerWaalsContact CA-O 3.28Å; T272-N298 WeakPolarHBondContact CA-O 3.03Å; T272-N298 HydrophobicContact CG2-CB 3.96Å; T272-I300 HydrophobicContact CG2-CD1 4.2Å; T272-I300 HydrophobicContact CG2-CG1 4.02Å; T272-F583 HydrophobicContact CG2-CD1 4.11Å; T272-F583 HydrophobicContact CG2-CE1 4.03Å; T272-A584 HydrophobicContact CG2-CB 4.46Å; T272-A584 VanDerWaalsContact OG1-CA 3.3Å; T272-A584 WeakPolarHBondContact OG1-CA 3.45Å; T272-A584 PolarHBondContact OG1-O 3.03Å
273	L	98.9	Very high	98.4	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	140.5	170.1	-56.7	-174.2	0	0	0	109.4	L191 M254 V283 H286 Y296 N298 A299 I300	L191-L273 HydrophobicContact CB-CD2 4.02Å; L191-L273 HydrophobicContact CD2-CD2 3.83Å; L191-L273 HydrophobicContact CG-CD2 4.2Å; M254-L273 HydrophobicContact CE-CD1 3.48Å; M254-L273 VanDerWaalsContact CE-CD1 3.48Å; M254-L273 HydrophobicContact CE-CD2 3.97Å; M254-L273 HydrophobicContact CE-CG 4.19Å; M254-L273 HydrophobicContact CG-CD2 4.06Å; M254-L273 HydrophobicContact SD-CD1 3.92Å; M254-L273 HydrophobicContact SD-CD2 4.21Å; L273-V283 HydrophobicContact CB-CG1 4Å; L273-V283 HydrophobicContact CB-CG2 4.06Å; L273-H286 HydrophobicContact CD1-CB 4.06Å; L273-Y296 HydrophobicContact CD1-CD1 3.79Å; L273-Y296 HydrophobicContact CD1-CD2 4.02Å; L273-Y296 HydrophobicContact CD1-CE1 3.88Å; L273-Y296 HydrophobicContact CD1-CE2 4.09Å; L273-Y296 HydrophobicContact CD1-CG 3.83Å; L273-Y296 HydrophobicContact CD2-CG 4.36Å; L273-Y296 HydrophobicContact CG-CD1 4.14Å; L273-Y296 HydrophobicContact CG-CD2 3.8Å; L273-Y296 HydrophobicContact CG-CE2 4.29Å; L273-Y296 HydrophobicContact CG-CG 3.68Å; L273-N298 PolarHBondContact N-O 2.88Å; L273-A299 CarbonylContact O-C 3.55Å; L273-A299 VanDerWaalsContact O-CA 3.26Å; L273-A299 WeakPolarHBondContact O-CA 3.25Å; L273-I300 PolarHBondContact O-N 3.23Å
274	F	98.9	Very high	98.4	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	144.4	170.1	70.9	-54	0	0	0	109.8	M190 L191 W192 I193 V221 I300 V549 F550	M190-F274 HydrophobicContact CB-CD1 3.96Å; M190-F274 HydrophobicContact CB-CE1 3.58Å; M190-F274 HydrophobicContact CB-CZ 4.18Å; M190-F274 HydrophobicContact CE-CD1 3.97Å; M190-F274 HydrophobicContact CE-CD2 3.64Å; M190-F274 HydrophobicContact CE-CE1 4.06Å; M190-F274 HydrophobicContact CE-CE2 3.72Å; M190-F274 HydrophobicContact CE-CG 3.8Å; M190-F274 HydrophobicContact CE-CZ 3.94Å; L191-F274 VanDerWaalsContact C-CD1 3.41Å; L191-F274 VanDerWaalsContact C-CE1 3.4Å; L191-F274 VanDerWaalsContact O-CD1 3.26Å; L191-F274 WeakPolarHBondContact O-CD1 3.44Å; L191-F274 PolarHBondContact O-N 3.32Å; W192-F274 CarbonylContact C-O 3.55Å; W192-F274 VanDerWaalsContact CA-CE1 3.42Å; W192-F274 WeakPolarHBondContact CA-O 3.15Å; W192-F274 HydrophobicContact CB-CD1 4.29Å; W192-F274 HydrophobicContact CB-CE1 3.55Å; W192-F274 HydrophobicContact CB-CE2 4.47Å; W192-F274 HydrophobicContact CB-CZ 3.66Å; W192-F274 HydrophobicContact CD2-CD2 4.49Å; W192-F274 HydrophobicContact CD2-CE2 4.16Å; W192-F274 HydrophobicContact CD2-CZ 4.21Å; W192-F274 HydrophobicContact CE3-CD1 4.12Å; W192-F274 AromaticContact CE3-CD2 3.31Å; W192-F274 HydrophobicContact CE3-CD2 3.31Å; W192-F274 HydrophobicContact CE3-CE1 4.09Å; W192-F274 AromaticContact CE3-CE2 3.3Å; W192-F274 HydrophobicContact CE3-CE2 3.3Å; W192-F274 AromaticContact CE3-CG 3.72Å; W192-F274 HydrophobicContact CE3-CG 3.72Å; W192-F274 AromaticContact CE3-CZ 3.7Å; W192-F274 HydrophobicContact CE3-CZ 3.7Å; W192-F274 HydrophobicContact CG-CE1 4.47Å; W192-F274 HydrophobicContact CG-CZ 4.24Å; W192-F274 AromaticContact CZ3-CD2 3.58Å; W192-F274 HydrophobicContact CZ3-CD2 3.58Å; W192-F274 AromaticContact CZ3-CE2 3.81Å; W192-F274 HydrophobicContact CZ3-CE2 3.81Å; W192-F274 HydrophobicContact CZ3-CG 4.22Å; I193-F274 PolarHBondContact N-O 2.86Å; V221-F274 HydrophobicContact CG1-CZ 4.23Å; F274-I300 WeakPolarHBondContact CA-O 3.32Å; F274-I300 HydrophobicContact CB-CB 3.69Å; F274-I300 HydrophobicContact CB-CD1 4.1Å; F274-I300 HydrophobicContact CB-CG1 4.13Å; F274-I300 HydrophobicContact CB-CG2 4.47Å; F274-V549 HydrophobicContact CD2-CG1 4.49Å; F274-V549 HydrophobicContact CE2-CG1 4.2Å; F274-F550 AromaticContact CE2-CE2 3.98Å; F274-F550 HydrophobicContact CE2-CE2 3.98Å; F274-F550 AromaticContact CE2-CZ 3.91Å; F274-F550 HydrophobicContact CE2-CZ 3.91Å; F274-F550 HydrophobicContact CZ-CE1 4.44Å; F274-F550 HydrophobicContact CZ-CE2 4.4Å; F274-F550 AromaticContact CZ-CZ 3.86Å; F274-F550 HydrophobicContact CZ-CZ 3.86Å
275	G	98.9	Very high	98.5	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.2	158.7	-177.8	0	0	0	0	0	110.9	I193 A280 I300 Q302	I193-G275 WeakPolarHBondContact O-CA 3.13Å; G275-A280 WeakPolarHBondContact O-CA 3.03Å; G275-A280 VanDerWaalsContact O-CB 3.31Å; G275-A280 WeakPolarHBondContact O-CB 3.31Å; G275-I300 PolarHBondContact N-O 3.38Å; G275-Q302 WeakPolarHBondContact O-CB 3.46Å; G275-Q302 PolarHBondContact O-N 2.96Å
276	E	98.8	Very high	98.6	Very high	9 Å²	9	13.4 Å²	13.4	4%	0.042	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	146.6	-178.2	-171	-78.3	154	0	0	110.9	W192 G195 A278 G279 A280 Q302 H542 G543 I546	W192-E276 HydrophobicContact CH2-CB 3.6Å; W192-E276 HydrophobicContact CZ2-CB 4.29Å; W192-E276 HydrophobicContact CZ3-CB 4.45Å; G195-E276 WeakPolarHBondContact CA-O 3.49Å; G195-E276 PolarHBondContact N-O 3.42Å; E276-A278 PolarHBondContact O-N 3.27Å; E276-G279 WeakPolarHBondContact O-CA 3.12Å; E276-G279 PolarHBondContact O-N 2.93Å; E276-A280 PolarHBondContact O-N 2.87Å; E276-Q302 CarbonylContact C-O 3.55Å; E276-Q302 WeakPolarHBondContact CA-O 3.41Å; E276-Q302 HydrophobicContact CB-CB 3.94Å; E276-Q302 HydrophobicContact CG-CB 3.91Å; E276-H542 IonicContact OE1-CD2 3.85Å; E276-H542 IonicContact OE1-CE1 3.54Å; E276-H542 PolarHBondContact OE1-CE1 3.49Å; E276-H542 VanDerWaalsContact OE1-CE1 3.23Å; E276-H542 IonicContact OE1-CG 3.98Å; E276-H542 IonicContact OE1-ND1 2.76Å; E276-H542 IonicContact OE1-NE2 3.83Å; E276-H542 PolarHBondContact OE1-NE2 3.33Å; E276-G543 WeakPolarHBondContact OE1-CA 3.46Å; E276-G543 PolarHBondContact OE1-N 3.33Å; E276-I546 HydrophobicContact CB-CD1 3.76Å; E276-I546 HydrophobicContact CB-CG1 4.19Å; E276-I546 HydrophobicContact CG-CD1 3.73Å; E276-I546 HydrophobicContact CG-CG1 4.08Å
277	S	98.8	Very high	98.6	Very high	4 Å²	4	13.4 Å²	13.4	3%	0.028	6%	0.056	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.5	-123.8	179.5	-168.1	0	0	0	0	111.8	G279 A280 V281 Q302 H542	S277-G279 PolarHBondContact O-N 2.91Å; S277-A280 WeakPolarHBondContact O-CA 3.45Å; S277-A280 VanDerWaalsContact O-CB 3.32Å; S277-A280 WeakPolarHBondContact O-CB 3.34Å; S277-A280 PolarHBondContact O-N 2.93Å; S277-V281 PolarHBondContact O-N 3.11Å; S277-Q302 PolarHBondContact N-O 3.42Å; S277-H542 WeakPolarHBondContact CB-NE2 3.07Å; S277-H542 PolarHBondContact OG-NE2 3.02Å
278	A	98.8	Very high	98.5	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-56.7	-27.2	172.4	0	0	0	0	0	113.4	F198 E276 S282 W310	F198-A278 HydrophobicContact CD1-CB 4.11Å; F198-A278 HydrophobicContact CD2-CB 3.72Å; F198-A278 HydrophobicContact CE1-CB 4.11Å; F198-A278 HydrophobicContact CE2-CB 3.7Å; F198-A278 HydrophobicContact CG-CB 3.94Å; F198-A278 HydrophobicContact CZ-CB 3.91Å; F198-A278 WeakPolarHBondContact CZ-O 3.4Å; E276-A278 PolarHBondContact O-N 3.27Å; A278-S282 WeakPolarHBondContact O-CB 3.34Å; A278-S282 PolarHBondContact O-N 2.77Å; A278-S282 PolarHBondContact O-OG 2.89Å; A278-W310 HydrophobicContact CB-CZ3 4.21Å
279	G	98.9	Very high	98.4	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-68.2	-39.9	169.8	0	0	0	0	0	112.1	I193 Y194 E276 S277 S282 V283	I193-G279 WeakPolarHBondContact O-CA 3.42Å; Y194-G279 WeakPolarHBondContact O-CA 3.34Å; E276-G279 WeakPolarHBondContact O-CA 3.12Å; E276-G279 PolarHBondContact O-N 2.93Å; S277-G279 PolarHBondContact O-N 2.91Å; G279-S282 VanDerWaalsContact O-CB 3.27Å; G279-S282 WeakPolarHBondContact O-CB 3.08Å; G279-S282 PolarHBondContact O-N 3.06Å; G279-V283 WeakPolarHBondContact O-CG2 3.21Å; G279-V283 PolarHBondContact O-N 2.82Å
280	A	98.9	Very high	98.3	Very high	0 Å²	0	6 Å²	6	0%	0	3%	0.03	C	C	.	.	H	α-helix	trans	-67.9	-38.2	172.9	0	0	0	0	0	112.1	G275 E276 S277 S282 V283 S284 M301 Q302 G304	G275-A280 WeakPolarHBondContact O-CA 3.03Å; G275-A280 VanDerWaalsContact O-CB 3.31Å; G275-A280 WeakPolarHBondContact O-CB 3.31Å; E276-A280 PolarHBondContact O-N 2.87Å; S277-A280 WeakPolarHBondContact O-CA 3.45Å; S277-A280 VanDerWaalsContact O-CB 3.32Å; S277-A280 WeakPolarHBondContact O-CB 3.34Å; S277-A280 PolarHBondContact O-N 2.93Å; A280-S282 VanDerWaalsContact C-N 3.35Å; A280-V283 PolarHBondContact O-N 2.85Å; A280-S284 WeakPolarHBondContact O-CB 3.35Å; A280-S284 PolarHBondContact O-N 2.82Å; A280-S284 PolarHBondContact O-OG 2.8Å; A280-M301 HydrophobicContact CB-CB 4.07Å; A280-M301 WeakPolarHBondContact O-CG 3.23Å; A280-Q302 WeakPolarHBondContact CB-O 3.44Å; A280-G304 WeakPolarHBondContact CB-O 3.3Å
281	V	98.9	Very high	98.3	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-58	-51.3	169.4	180	0	0	0	0	108.9	F198 S277 V283 S284 T285 W310	F198-V281 HydrophobicContact CE2-CB 4.1Å; F198-V281 HydrophobicContact CE2-CG1 4Å; F198-V281 HydrophobicContact CZ-CB 3.73Å; F198-V281 HydrophobicContact CZ-CG1 3.66Å; S277-V281 PolarHBondContact O-N 3.11Å; V281-V283 PolarHBondContact O-N 3.21Å; V281-S284 WeakPolarHBondContact CA-OG 3.29Å; V281-S284 CarbonylContact O-C 3.57Å; V281-S284 WeakPolarHBondContact O-CA 3.43Å; V281-S284 PolarHBondContact O-N 2.83Å; V281-S284 PolarHBondContact O-OG 3.13Å; V281-T285 HydrophobicContact CG1-CG2 4.3Å; V281-T285 WeakPolarHBondContact O-CG2 3.39Å; V281-T285 PolarHBondContact O-N 2.85Å; V281-W310 HydrophobicContact CG2-CE3 4.4Å; V281-W310 HydrophobicContact CG2-CH2 3.39Å; V281-W310 HydrophobicContact CG2-CZ2 4.19Å; V281-W310 HydrophobicContact CG2-CZ3 3.52Å
282	S	98.9	Very high	98.2	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-52.7	-50.4	175.9	-63.7	0	0	0	0	112.7	F198 Q250 A278 G279 A280 S284 T285 H286	F198-S282 WeakPolarHBondContact CE1-OG 3.48Å; Q250-S282 PolarHBondContact NE2-OG 2.64Å; Q250-S282 VanDerWaalsContact OE1-CB 3.24Å; Q250-S282 PolarHBondContact OE1-OG 3.11Å; A278-S282 WeakPolarHBondContact O-CB 3.34Å; A278-S282 PolarHBondContact O-N 2.77Å; A278-S282 PolarHBondContact O-OG 2.89Å; G279-S282 VanDerWaalsContact O-CB 3.27Å; G279-S282 WeakPolarHBondContact O-CB 3.08Å; G279-S282 PolarHBondContact O-N 3.06Å; A280-S282 VanDerWaalsContact C-N 3.35Å; S282-S284 VanDerWaalsContact C-N 3.32Å; S282-S284 PolarHBondContact O-N 2.85Å; S282-T285 WeakPolarHBondContact O-CB 3.41Å; S282-T285 PolarHBondContact O-N 3.35Å; S282-T285 PolarHBondContact O-OG1 2.97Å; S282-H286 PolarHBondContact O-CD2 2.78Å; S282-H286 VanDerWaalsContact O-CD2 3.28Å; S282-H286 PolarHBondContact O-N 2.91Å; S282-H286 VanDerWaalsContact O-N 3.12Å
283	V	98.9	Very high	98.2	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-57.1	-46.7	174.8	174.1	0	0	0	0	110.7	I193 L273 G279 A280 V281 T285 H286 V287 A299 M301	I193-V283 HydrophobicContact CD1-CG2 3.94Å; I193-V283 HydrophobicContact CG1-CG2 4.29Å; L273-V283 HydrophobicContact CB-CG1 4Å; L273-V283 HydrophobicContact CB-CG2 4.06Å; G279-V283 WeakPolarHBondContact O-CG2 3.21Å; G279-V283 PolarHBondContact O-N 2.82Å; A280-V283 PolarHBondContact O-N 2.85Å; V281-V283 PolarHBondContact O-N 3.21Å; V283-T285 VanDerWaalsContact C-N 3.28Å; V283-T285 PolarHBondContact O-N 2.96Å; V283-H286 PolarHBondContact O-N 3.03Å; V283-H286 VanDerWaalsContact O-N 3.15Å; V283-V287 WeakPolarHBondContact O-CG2 3.43Å; V283-V287 PolarHBondContact O-N 3.15Å; V283-A299 HydrophobicContact CG1-CB 3.59Å; V283-M301 HydrophobicContact CB-CG 4.15Å; V283-M301 HydrophobicContact CB-SD 4.41Å; V283-M301 HydrophobicContact CG1-CG 3.92Å; V283-M301 HydrophobicContact CG1-SD 3.54Å; V283-M301 VanDerWaalsContact CG1-SD 3.54Å
284	S	98.6	Very high	98.1	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-65.2	-30.3	177.7	72.7	0	0	0	0	112.9	A280 V281 S282 V287 V288 S305 I306	A280-S284 WeakPolarHBondContact O-CB 3.35Å; A280-S284 PolarHBondContact O-N 2.82Å; A280-S284 PolarHBondContact O-OG 2.8Å; V281-S284 WeakPolarHBondContact CA-OG 3.29Å; V281-S284 CarbonylContact O-C 3.57Å; V281-S284 WeakPolarHBondContact O-CA 3.43Å; V281-S284 PolarHBondContact O-N 2.83Å; V281-S284 PolarHBondContact O-OG 3.13Å; S282-S284 VanDerWaalsContact C-N 3.32Å; S282-S284 PolarHBondContact O-N 2.85Å; S284-V287 WeakPolarHBondContact O-CB 3.43Å; S284-V287 PolarHBondContact O-N 3.12Å; S284-V288 WeakPolarHBondContact O-CG2 3.4Å; S284-V288 PolarHBondContact O-N 3.41Å; S284-S305 WeakPolarHBondContact OG-CA 3.48Å; S284-I306 WeakPolarHBondContact OG-CG2 3.26Å; S284-I306 PolarHBondContact OG-N 2.84Å
285	T	98.4	Very high	98.1	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-62.5	-43.3	172	77.7	0	0	0	0	111.3	L247 V281 S282 V283 V287 V288 S289 I306 F378	L247-T285 HydrophobicContact CD1-CG2 4.01Å; L247-T285 HydrophobicContact CD2-CG2 4.34Å; V281-T285 HydrophobicContact CG1-CG2 4.3Å; V281-T285 WeakPolarHBondContact O-CG2 3.39Å; V281-T285 PolarHBondContact O-N 2.85Å; S282-T285 WeakPolarHBondContact O-CB 3.41Å; S282-T285 PolarHBondContact O-N 3.35Å; S282-T285 PolarHBondContact O-OG1 2.97Å; V283-T285 VanDerWaalsContact C-N 3.28Å; V283-T285 PolarHBondContact O-N 2.96Å; T285-V287 VanDerWaalsContact C-N 3.31Å; T285-V287 PolarHBondContact O-N 3.36Å; T285-V288 CarbonylContact O-C 3.58Å; T285-V288 PolarHBondContact O-N 3.41Å; T285-S289 WeakPolarHBondContact O-CB 3.49Å; T285-S289 PolarHBondContact O-N 2.83Å; T285-I306 HydrophobicContact CG2-CG2 3.86Å; T285-F378 HydrophobicContact CG2-CE1 4.15Å; T285-F378 HydrophobicContact CG2-CZ 3.65Å
286	H	98.7	Very high	98.1	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-68.3	-30.9	176.5	-67.2	-52.5	0	0	0	112.4	Q250 L273 S282 V283 S289 S292 H293 Y296 F377	Q250-H286 WeakPolarHBondContact CB-NE2 3.42Å; Q250-H286 PolarHBondContact OE1-NE2 3.28Å; L273-H286 HydrophobicContact CD1-CB 4.06Å; S282-H286 PolarHBondContact O-CD2 2.78Å; S282-H286 VanDerWaalsContact O-CD2 3.28Å; S282-H286 PolarHBondContact O-N 2.91Å; S282-H286 VanDerWaalsContact O-N 3.12Å; V283-H286 PolarHBondContact O-N 3.03Å; V283-H286 VanDerWaalsContact O-N 3.15Å; H286-S289 VanDerWaalsContact O-O 3.1Å; H286-S292 PolarHBondContact ND1-OG 3.44Å; H286-H293 PolarHBondContact O-CD2 2.96Å; H286-Y296 VanDerWaalsContact C-OH 3.25Å; H286-Y296 HydrophobicContact CB-CE1 4.28Å; H286-Y296 PolarHBondContact O-OH 2.81Å; H286-Y296 VanDerWaalsContact O-OH 3.14Å; H286-F377 AromaticContact CE1-CZ 3.67Å; H286-F377 AromaticContact ND1-CZ 3.54Å
287	V	97.9	Very high	98.1	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-66	-37.8	173.3	168.2	0	0	0	0	111.8	V283 S284 T285 H293 Y296 A299 M301 L392 K393 L398	V283-V287 WeakPolarHBondContact O-CG2 3.43Å; V283-V287 PolarHBondContact O-N 3.15Å; S284-V287 WeakPolarHBondContact O-CB 3.43Å; S284-V287 PolarHBondContact O-N 3.12Å; T285-V287 VanDerWaalsContact C-N 3.31Å; T285-V287 PolarHBondContact O-N 3.36Å; V287-H293 PolarHBondContact O-NE2 2.77Å; V287-Y296 WeakPolarHBondContact CA-OH 3.32Å; V287-Y296 HydrophobicContact CG2-CE2 4.47Å; V287-Y296 WeakPolarHBondContact CG2-OH 3.25Å; V287-Y296 PolarHBondContact N-OH 3.33Å; V287-A299 HydrophobicContact CG2-CB 3.63Å; V287-M301 HydrophobicContact CG2-SD 4.43Å; V287-L392 HydrophobicContact CG1-CD1 3.26Å; V287-L392 WeakPolarHBondContact O-CA 3.45Å; V287-K393 PolarHBondContact O-N 2.82Å; V287-L398 HydrophobicContact CG1-CD1 4.17Å; V287-L398 HydrophobicContact CG1-CD2 4.15Å; V287-L398 HydrophobicContact CG2-CD2 3.96Å
288	V	95.4	Very high	98	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.091	C	C	.	.	S	Bend	trans	-99.9	5.6	-177.8	-53.8	0	0	0	0	114.3	S284 T285 I306 F378 Y380 L389 Y391 M499	S284-V288 WeakPolarHBondContact O-CG2 3.4Å; S284-V288 PolarHBondContact O-N 3.41Å; T285-V288 CarbonylContact O-C 3.58Å; T285-V288 PolarHBondContact O-N 3.41Å; V288-I306 HydrophobicContact CB-CD1 4.41Å; V288-I306 HydrophobicContact CG1-CD1 3.84Å; V288-I306 HydrophobicContact CG2-CD1 3.96Å; V288-I306 HydrophobicContact CG2-CG2 4.34Å; V288-F378 HydrophobicContact CG2-CD1 4.46Å; V288-F378 HydrophobicContact CG2-CE1 4.18Å; V288-Y380 WeakPolarHBondContact CB-OH 3.37Å; V288-Y380 PolarHBondContact O-OH 2.66Å; V288-L389 HydrophobicContact CG1-CD2 4Å; V288-Y391 CarbonylContact C-O 3.51Å; V288-Y391 WeakPolarHBondContact O-CB 3.02Å; V288-M499 HydrophobicContact CG1-CE 3.64Å
289	S	95.6	Very high	98	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.091	C	C	.	.			trans	-117.3	126.8	178.3	178.3	0	0	0	0	110.2	T285 H286 W291 H293 F377	T285-S289 WeakPolarHBondContact O-CB 3.49Å; T285-S289 PolarHBondContact O-N 2.83Å; H286-S289 VanDerWaalsContact O-O 3.1Å; S289-W291 PolarHBondContact O-N 2.79Å; S289-W291 VanDerWaalsContact O-N 3.16Å; S289-W291 VanDerWaalsContact OG-CD1 3.28Å; S289-H293 PolarHBondContact O-CD2 2.63Å; S289-H293 PolarHBondContact O-NE2 3.38Å; S289-F377 WeakPolarHBondContact CB-O 3.36Å; S289-F377 PolarHBondContact OG-O 2.73Å
290	P	96.1	Very high	98.1	Very high	49 Å²	49	17.6 Å²	17.6	32%	0.318	9%	0.091	S	C	.	.	G	3₁₀ helix	trans	-68.4	-17.8	-175.3	30.2	-33.3	0	0	0	112.9	S292 H293 P379 Y391	P290-S292 PolarHBondContact O-N 2.88Å; P290-H293 PolarHBondContact O-N 3.06Å; P290-P379 HydrophobicContact CG-CG 3.77Å; P290-Y391 HydrophobicContact CB-CD1 4.38Å; P290-Y391 HydrophobicContact CG-CD1 4.01Å; P290-Y391 HydrophobicContact CG-CG 4.28Å
291	W	97.2	Very high	98	Very high	108 Å²	108	17.6 Å²	17.6	41%	0.409	9%	0.091	S	C	.	.	G	3₁₀ helix	trans	-65.4	-22	-173.2	-63.8	116.3	0	0	0	114.7	W248 R251 S289 N376	W248-W291 HydrophobicContact CH2-CB 4.43Å; W248-W291 AromaticContact CH2-CD1 3.9Å; W248-W291 HydrophobicContact CH2-CD2 4.08Å; W248-W291 AromaticContact CH2-CG 3.91Å; W248-W291 HydrophobicContact CH2-CG 3.91Å; W248-W291 HydrophobicContact CZ3-CB 4.35Å; W248-W291 HydrophobicContact CZ3-CG 4.28Å; R251-W291 PolarHBondContact NE-O 3.02Å; S289-W291 PolarHBondContact O-N 2.79Å; S289-W291 VanDerWaalsContact O-N 3.16Å; S289-W291 VanDerWaalsContact OG-CD1 3.28Å; W291-N376 PolarHBondContact NE1-O 2.78Å
292	S	97.9	Very high	98	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.091	C	C	.	.	G	3₁₀ helix	trans	-111.1	-8.3	-174.5	-66.3	0	0	0	0	114.2	H286 P290 S294 Y295 Y296	H286-S292 PolarHBondContact ND1-OG 3.44Å; P290-S292 PolarHBondContact O-N 2.88Å; S292-S294 PolarHBondContact O-N 2.91Å; S292-S294 VanDerWaalsContact O-N 3.08Å; S292-Y295 PolarHBondContact O-N 3.46Å; S292-Y296 VanDerWaalsContact O-CD1 3.31Å; S292-Y296 WeakPolarHBondContact O-CD1 3.42Å; S292-Y296 WeakPolarHBondContact O-CE1 3.46Å
293	H	97.8	Very high	98	Very high	31 Å²	31	17.6 Å²	17.6	14%	0.144	9%	0.091	C	C	.	.	G	3₁₀ helix	trans	-58.5	-29.8	-168.5	-72.3	176.4	0	0	0	114.5	H286 V287 S289 P290 Y295 Y391 K393	H286-H293 PolarHBondContact O-CD2 2.96Å; V287-H293 PolarHBondContact O-NE2 2.77Å; S289-H293 PolarHBondContact O-CD2 2.63Å; S289-H293 PolarHBondContact O-NE2 3.38Å; P290-H293 PolarHBondContact O-N 3.06Å; H293-Y295 VanDerWaalsContact C-N 3.33Å; H293-Y391 PolarHBondContact CE1-O 3.49Å; H293-Y391 PolarHBondContact NE2-O 3.13Å; H293-K393 HydrophobicContact CB-CG 4.38Å; H293-K393 WeakPolarHBondContact CE1-CA 3.38Å; H293-K393 PolarHBondContact CE1-N 2.64Å; H293-K393 WeakPolarHBondContact NE2-CA 3.5Å; H293-K393 PolarHBondContact NE2-N 2.64Å; H293-K393 PolarHBondContact O-NZ 3.3Å
294	S	97.8	Very high	98	Very high	81 Å²	81	17.6 Å²	17.6	57%	0.566	9%	0.091	S	C	*	.	G	3₁₀ helix	trans	-78.8	-12.1	-178.3	56.7	0	0	0	0	114.5	S292	S292-S294 PolarHBondContact O-N 2.91Å; S292-S294 VanDerWaalsContact O-N 3.08Å
295	Y	98.6	Very high	98	Very high	28 Å²	28	17.6 Å²	17.6	11%	0.11	9%	0.091	C	C	.	.	G	3₁₀ helix	trans	-96.1	-6.2	-173.3	-55.5	-49.7	0	0	0	113.9	R251 M254 K255 K258 I271 S292 H293	R251-Y295 HydrophobicContact CG-CD2 4.31Å; R251-Y295 HydrophobicContact CG-CE2 4.02Å; R251-Y295 PolarHBondContact NH2-OH 3.19Å; M254-Y295 HydrophobicContact CB-CD2 4.43Å; M254-Y295 HydrophobicContact CB-CG 4.43Å; K255-Y295 HydrophobicContact CB-CD1 4.18Å; K255-Y295 HydrophobicContact CB-CD2 4.47Å; K255-Y295 HydrophobicContact CB-CE1 3.82Å; K255-Y295 HydrophobicContact CB-CE2 4.12Å; K255-Y295 HydrophobicContact CD-CE1 4.37Å; K255-Y295 HydrophobicContact CG-CD1 4.45Å; K255-Y295 HydrophobicContact CG-CE1 3.76Å; K258-Y295 HydrophobicContact CB-CD1 3.98Å; K258-Y295 HydrophobicContact CG-CD1 4.03Å; I271-Y295 WeakPolarHBondContact CD1-O 3.38Å; S292-Y295 PolarHBondContact O-N 3.46Å; H293-Y295 VanDerWaalsContact C-N 3.33Å
296	Y	98.7	Very high	97.9	Very high	12 Å²	12	17.9 Å²	17.9	5%	0.047	9%	0.093	C	C	.	.			trans	-154.4	163.9	180	74.7	-79.2	0	0	0	112.3	M254 L273 H286 V287 S292 N298 A299 K393	M254-Y296 HydrophobicContact CE-CD1 3.32Å; M254-Y296 HydrophobicContact CE-CE1 3.83Å; M254-Y296 HydrophobicContact CE-CG 4.17Å; L273-Y296 HydrophobicContact CD1-CD1 3.79Å; L273-Y296 HydrophobicContact CD1-CD2 4.02Å; L273-Y296 HydrophobicContact CD1-CE1 3.88Å; L273-Y296 HydrophobicContact CD1-CE2 4.09Å; L273-Y296 HydrophobicContact CD1-CG 3.83Å; L273-Y296 HydrophobicContact CD2-CG 4.36Å; L273-Y296 HydrophobicContact CG-CD1 4.14Å; L273-Y296 HydrophobicContact CG-CD2 3.8Å; L273-Y296 HydrophobicContact CG-CE2 4.29Å; L273-Y296 HydrophobicContact CG-CG 3.68Å; H286-Y296 VanDerWaalsContact C-OH 3.25Å; H286-Y296 HydrophobicContact CB-CE1 4.28Å; H286-Y296 PolarHBondContact O-OH 2.81Å; H286-Y296 VanDerWaalsContact O-OH 3.14Å; V287-Y296 WeakPolarHBondContact CA-OH 3.32Å; V287-Y296 HydrophobicContact CG2-CE2 4.47Å; V287-Y296 WeakPolarHBondContact CG2-OH 3.25Å; V287-Y296 PolarHBondContact N-OH 3.33Å; S292-Y296 VanDerWaalsContact O-CD1 3.31Å; S292-Y296 WeakPolarHBondContact O-CD1 3.42Å; S292-Y296 WeakPolarHBondContact O-CE1 3.46Å; Y296-N298 VanDerWaalsContact CD2-O 3.26Å; Y296-N298 WeakPolarHBondContact CD2-O 3.03Å; Y296-A299 HydrophobicContact CE2-CB 3.99Å; Y296-K393 HydrophobicContact CD2-CD 4.46Å; Y296-K393 HydrophobicContact CE1-CD 4.34Å; Y296-K393 HydrophobicContact CE2-CD 3.69Å; Y296-K393 VanDerWaalsContact O-CE 3.3Å; Y296-K393 WeakPolarHBondContact O-CE 3.49Å; Y296-K393 PolarHBondContact O-NZ 2.95Å
297	N	98.3	Very high	97.7	Very high	58 Å²	58	21.1 Å²	21.1	31%	0.31	11%	0.107	S	C	.	.	S	Bend	trans	-105.8	-59.2	179.8	-166.8	62.4	0	0	0	112.2	I271 K393 G396	I271-N297 PolarHBondContact O-N 2.69Å; N297-K393 WeakPolarHBondContact O-CE 3.31Å; N297-G396 WeakPolarHBondContact O-CA 3.35Å
298	N	98.7	Very high	97.6	Very high	3 Å²	3	21.3 Å²	21.3	2%	0.016	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	162	-175.3	-55.9	-37.5	0	0	0	112	I271 T272 L273 Y296 A397 F583 G587	I271-N298 PolarHBondContact O-N 2.92Å; T272-N298 CarbonylContact C-O 3.5Å; T272-N298 VanDerWaalsContact CA-O 3.28Å; T272-N298 WeakPolarHBondContact CA-O 3.03Å; T272-N298 HydrophobicContact CG2-CB 3.96Å; L273-N298 PolarHBondContact N-O 2.88Å; Y296-N298 VanDerWaalsContact CD2-O 3.26Å; Y296-N298 WeakPolarHBondContact CD2-O 3.03Å; N298-A397 WeakPolarHBondContact CA-O 3.18Å; N298-A397 PolarHBondContact OD1-N 2.79Å; N298-F583 HydrophobicContact CB-CD1 4.33Å; N298-F583 HydrophobicContact CB-CE1 3.61Å; N298-F583 HydrophobicContact CB-CZ 3.91Å; N298-F583 PolarHBondContact ND2-O 3.01Å; N298-F583 VanDerWaalsContact ND2-O 3.1Å; N298-G587 WeakPolarHBondContact ND2-CA 3.32Å; N298-G587 PolarHBondContact ND2-N 2.78Å
299	A	98.9	Very high	97.5	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	139.7	178.7	0	0	0	0	0	113	L273 V283 V287 Y296 M301 A397 L398 M399	L273-A299 CarbonylContact O-C 3.55Å; L273-A299 VanDerWaalsContact O-CA 3.26Å; L273-A299 WeakPolarHBondContact O-CA 3.25Å; V283-A299 HydrophobicContact CG1-CB 3.59Å; V287-A299 HydrophobicContact CG2-CB 3.63Å; Y296-A299 HydrophobicContact CE2-CB 3.99Å; A299-M301 HydrophobicContact CB-SD 3.97Å; A299-A397 PolarHBondContact N-O 2.84Å; A299-L398 HydrophobicContact CB-CD2 3.81Å; A299-L398 CarbonylContact O-C 3.57Å; A299-L398 VanDerWaalsContact O-CA 3.3Å; A299-L398 WeakPolarHBondContact O-CA 3.32Å; A299-M399 PolarHBondContact O-N 3.04Å
300	I	98.9	Very high	97.5	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	122.3	177	-48.4	179.9	0	0	0	108.8	M190 T272 L273 F274 G275 Q302 M399 W580 F583	M190-I300 HydrophobicContact CE-CD1 4.31Å; T272-I300 HydrophobicContact CG2-CD1 4.2Å; T272-I300 HydrophobicContact CG2-CG1 4.02Å; L273-I300 PolarHBondContact O-N 3.23Å; F274-I300 WeakPolarHBondContact CA-O 3.32Å; F274-I300 HydrophobicContact CB-CB 3.69Å; F274-I300 HydrophobicContact CB-CD1 4.1Å; F274-I300 HydrophobicContact CB-CG1 4.13Å; F274-I300 HydrophobicContact CB-CG2 4.47Å; G275-I300 PolarHBondContact N-O 3.38Å; I300-Q302 HydrophobicContact CG2-CG 3.93Å; I300-M399 CarbonylContact C-O 3.55Å; I300-M399 WeakPolarHBondContact CA-O 3.29Å; I300-M399 HydrophobicContact CB-CB 4.28Å; I300-M399 HydrophobicContact CD1-SD 4.27Å; I300-M399 HydrophobicContact CG1-CB 4.04Å; I300-M399 HydrophobicContact CG1-SD 4.43Å; I300-M399 HydrophobicContact CG2-CB 4.02Å; I300-M399 HydrophobicContact CG2-CG 4.11Å; I300-M399 HydrophobicContact CG2-SD 3.92Å; I300-W580 HydrophobicContact CD1-CG 4.16Å; I300-F583 HydrophobicContact CD1-CD1 3.76Å; I300-F583 HydrophobicContact CD1-CE1 4.13Å; I300-F583 HydrophobicContact CG1-CD1 3.68Å; I300-F583 HydrophobicContact CG1-CE1 3.5Å; I300-F583 VanDerWaalsContact CG1-CE1 3.5Å
301	M	98.9	Very high	97.5	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	106.6	178.6	-69.4	79.5	67.6	0	0	109.9	A280 V283 V287 A299 L398 M399 F400 G401	A280-M301 HydrophobicContact CB-CB 4.07Å; A280-M301 WeakPolarHBondContact O-CG 3.23Å; V283-M301 HydrophobicContact CB-CG 4.15Å; V283-M301 HydrophobicContact CB-SD 4.41Å; V283-M301 HydrophobicContact CG1-CG 3.92Å; V283-M301 HydrophobicContact CG1-SD 3.54Å; V283-M301 VanDerWaalsContact CG1-SD 3.54Å; V287-M301 HydrophobicContact CG2-SD 4.43Å; A299-M301 HydrophobicContact CB-SD 3.97Å; M301-L398 HydrophobicContact CE-CB 4.21Å; M301-L398 HydrophobicContact CE-CD1 4.21Å; M301-L398 HydrophobicContact CE-CD2 4.34Å; M301-M399 PolarHBondContact N-O 3.49Å; M301-F400 HydrophobicContact CB-CD1 4Å; M301-F400 HydrophobicContact CB-CE1 4.34Å; M301-F400 HydrophobicContact CE-CD1 3.66Å; M301-F400 HydrophobicContact CE-CD2 3.96Å; M301-F400 HydrophobicContact CE-CE1 3.13Å; M301-F400 HydrophobicContact CE-CE2 3.46Å; M301-F400 VanDerWaalsContact CE-CE2 3.46Å; M301-F400 HydrophobicContact CE-CG 4.06Å; M301-F400 HydrophobicContact CE-CZ 3.03Å; M301-F400 CarbonylContact O-C 3.54Å; M301-F400 VanDerWaalsContact O-CA 3.3Å; M301-F400 WeakPolarHBondContact O-CA 3.45Å; M301-G401 PolarHBondContact O-N 3.26Å
302	Q	98.8	Very high	97.5	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	114.3	-178.2	-52.1	178.1	-169.4	0	0	109.8	G275 E276 S277 A280 I300 G304 Y523 E545	G275-Q302 WeakPolarHBondContact O-CB 3.46Å; G275-Q302 PolarHBondContact O-N 2.96Å; E276-Q302 CarbonylContact C-O 3.55Å; E276-Q302 WeakPolarHBondContact CA-O 3.41Å; E276-Q302 HydrophobicContact CB-CB 3.94Å; E276-Q302 HydrophobicContact CG-CB 3.91Å; S277-Q302 PolarHBondContact N-O 3.42Å; A280-Q302 WeakPolarHBondContact CB-O 3.44Å; I300-Q302 HydrophobicContact CG2-CG 3.93Å; Q302-G304 VanDerWaalsContact C-N 3.32Å; Q302-G304 PolarHBondContact O-N 3.23Å; Q302-Y523 VanDerWaalsContact CG-OH 3.28Å; Q302-Y523 WeakPolarHBondContact CG-OH 3.48Å; Q302-E545 WeakPolarHBondContact CB-OE1 3.48Å; Q302-E545 PolarHBondContact NE2-OE1 2.98Å
303	S	98.7	Very high	97.4	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.107	C	C	.	.	S	Bend	trans	60.2	33.8	172	-47.5	0	0	0	0	114.6	G401 E406 F492 H542	S303-G401 WeakPolarHBondContact CA-O 3.32Å; S303-G401 PolarHBondContact N-O 2.92Å; S303-E406 VanDerWaalsContact CB-OE1 3.28Å; S303-E406 WeakPolarHBondContact CB-OE1 3.39Å; S303-E406 PolarHBondContact OG-OE1 3.2Å; S303-E406 PolarHBondContact OG-OE2 3.01Å; S303-F492 WeakPolarHBondContact O-CD1 3.45Å; S303-H542 PolarHBondContact O-CE1 2.85Å
304	G	98.3	Very high	97.2	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.12	C	C	.	.			trans	-175.2	155.6	176.8	0	0	0	0	0	114.3	A280 Q302 T496	A280-G304 WeakPolarHBondContact CB-O 3.3Å; Q302-G304 VanDerWaalsContact C-N 3.32Å; Q302-G304 PolarHBondContact O-N 3.23Å; G304-T496 PolarHBondContact N-OG1 3.33Å
305	S	98	Very high	97.1	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.103	C	C	.	.			trans	-161.9	168	173.2	68.5	0	0	0	0	112.3	S284 F307 S308 P495	S284-S305 WeakPolarHBondContact OG-CA 3.48Å; S305-F307 PolarHBondContact O-N 2.94Å; S305-F307 PolarHBondContact OG-N 3.49Å; S305-S308 VanDerWaalsContact O-CB 3.27Å; S305-S308 WeakPolarHBondContact O-CB 3.18Å; S305-S308 PolarHBondContact O-N 3.33Å; S305-S308 PolarHBondContact O-OG 3.32Å; S305-P495 PolarHBondContact OG-O 3.13Å
306	I	96.4	Very high	97	Very high	6 Å²	6	24.6 Å²	24.6	3%	0.031	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-12.1	169	52.2	147.5	0	0	0	115	S284 T285 V288 L312 F386 L389 M499	S284-I306 WeakPolarHBondContact OG-CG2 3.26Å; S284-I306 PolarHBondContact OG-N 2.84Å; T285-I306 HydrophobicContact CG2-CG2 3.86Å; V288-I306 HydrophobicContact CB-CD1 4.41Å; V288-I306 HydrophobicContact CG1-CD1 3.84Å; V288-I306 HydrophobicContact CG2-CD1 3.96Å; V288-I306 HydrophobicContact CG2-CG2 4.34Å; I306-L312 HydrophobicContact CB-CD1 3.71Å; I306-L312 HydrophobicContact CB-CG 4.35Å; I306-L312 HydrophobicContact CG2-CD1 3.82Å; I306-L312 HydrophobicContact CG2-CG 4.27Å; I306-F386 HydrophobicContact CD1-CE2 4.15Å; I306-F386 HydrophobicContact CD1-CZ 3.77Å; I306-L389 HydrophobicContact CD1-CD2 4.09Å; I306-M499 HydrophobicContact CD1-CE 3.99Å; I306-M499 HydrophobicContact CD1-SD 4.2Å; I306-M499 HydrophobicContact CG1-CE 4.15Å; I306-M499 HydrophobicContact CG1-SD 4.23Å
307	F	95.1	Very high	96.9	Very high	68 Å²	68	27.6 Å²	27.6	30%	0.298	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-7.5	176	-75	11.3	0	0	0	112.8	S305 L389 P495 N498 M499 A502	S305-F307 PolarHBondContact O-N 2.94Å; S305-F307 PolarHBondContact OG-N 3.49Å; F307-L389 HydrophobicContact CE1-CD2 4.19Å; F307-L389 HydrophobicContact CZ-CD2 4.35Å; F307-P495 HydrophobicContact CB-CB 4.24Å; F307-N498 HydrophobicContact CD2-CB 3.99Å; F307-M499 HydrophobicContact CD1-SD 4.07Å; F307-M499 HydrophobicContact CD2-CB 3.86Å; F307-M499 HydrophobicContact CD2-SD 4.35Å; F307-M499 HydrophobicContact CE1-SD 3.69Å; F307-M499 HydrophobicContact CE2-CB 4.22Å; F307-M499 HydrophobicContact CE2-SD 4Å; F307-M499 HydrophobicContact CG-CB 4.12Å; F307-M499 HydrophobicContact CG-SD 4.38Å; F307-M499 HydrophobicContact CZ-SD 3.66Å; F307-A502 HydrophobicContact CE2-CB 3.8Å; F307-A502 HydrophobicContact CZ-CB 3.98Å
308	S	96.2	Very high	96.8	Very high	4 Å²	4	25.2 Å²	25.2	3%	0.028	14%	0.136	C	C	.	.	S	Bend	trans	-65.5	137.4	175.2	-67.2	0	0	0	0	109.8	S305 W310 G311 S491	S305-S308 VanDerWaalsContact O-CB 3.27Å; S305-S308 WeakPolarHBondContact O-CB 3.18Å; S305-S308 PolarHBondContact O-N 3.33Å; S305-S308 PolarHBondContact O-OG 3.32Å; S308-W310 PolarHBondContact O-N 3.44Å; S308-W310 VanDerWaalsContact O-N 3.14Å; S308-G311 PolarHBondContact O-N 3.44Å; S308-S491 PolarHBondContact OG-O 2.82Å
309	N	93	Very high	96.8	Very high	77 Å²	77	27.7 Å²	27.7	41%	0.412	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-27.7	-179.4	58.4	-48.8	0	0	0	113.1
310	W	95.6	Very high	96.7	Very high	13 Å²	13	32.2 Å²	32.2	5%	0.049	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.8	-4.5	176.7	55.2	-95.7	0	0	0	113.7	F198 A278 V281 S308 F365 V367 P370 S491 F492	F198-W310 HydrophobicContact CE2-CE3 4.5Å; F198-W310 HydrophobicContact CE2-CZ3 4.12Å; A278-W310 HydrophobicContact CB-CZ3 4.21Å; V281-W310 HydrophobicContact CG2-CE3 4.4Å; V281-W310 HydrophobicContact CG2-CH2 3.39Å; V281-W310 HydrophobicContact CG2-CZ2 4.19Å; V281-W310 HydrophobicContact CG2-CZ3 3.52Å; S308-W310 PolarHBondContact O-N 3.44Å; S308-W310 VanDerWaalsContact O-N 3.14Å; W310-F365 HydrophobicContact CB-CD1 4.44Å; W310-F365 HydrophobicContact CB-CE1 3.95Å; W310-F365 AromaticContact CD1-CD1 3.95Å; W310-F365 AromaticContact CD1-CE1 3.51Å; W310-F365 AromaticContact CD2-CE1 3.66Å; W310-F365 HydrophobicContact CD2-CE1 3.66Å; W310-F365 HydrophobicContact CD2-CZ 4.22Å; W310-F365 AromaticContact CE2-CE1 3.9Å; W310-F365 HydrophobicContact CE3-CE1 4.32Å; W310-F365 HydrophobicContact CE3-CZ 4.45Å; W310-F365 HydrophobicContact CG-CD1 4.14Å; W310-F365 AromaticContact CG-CE1 3.44Å; W310-F365 HydrophobicContact CG-CE1 3.44Å; W310-F365 VanDerWaalsContact CG-CE1 3.44Å; W310-F365 HydrophobicContact CG-CZ 4.33Å; W310-F365 AromaticContact NE1-CE1 3.78Å; W310-V367 HydrophobicContact CB-CG2 4Å; W310-V367 HydrophobicContact CE3-CG2 4.35Å; W310-P370 WeakPolarHBondContact O-CB 3.21Å; W310-S491 PolarHBondContact NE1-O 3.05Å; W310-F492 AromaticContact CE2-CE1 3.76Å; W310-F492 HydrophobicContact CH2-CE1 4.38Å; W310-F492 AromaticContact CZ2-CD1 3.82Å; W310-F492 HydrophobicContact CZ2-CD1 3.82Å; W310-F492 AromaticContact CZ2-CE1 3.42Å; W310-F492 HydrophobicContact CZ2-CE1 3.42Å; W310-F492 VanDerWaalsContact CZ2-CE1 3.42Å; W310-F492 HydrophobicContact CZ2-CZ 4.4Å; W310-F492 AromaticContact NE1-CE1 3.74Å
311	G	96.6	Very high	96.6	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-24.8	-169.9	0	0	0	0	0	115	S308 P371	S308-G311 PolarHBondContact O-N 3.44Å; G311-P371 WeakPolarHBondContact O-CD 3.14Å
312	L	96.1	Very high	96.5	Very high	29 Å²	29	34.2 Å²	34.2	15%	0.152	18%	0.182	C	C	.	.			trans	-145.9	136.4	178.9	-70.4	175.6	0	0	0	111.6	I306 P371 L373 F378 F386	I306-L312 HydrophobicContact CB-CD1 3.71Å; I306-L312 HydrophobicContact CB-CG 4.35Å; I306-L312 HydrophobicContact CG2-CD1 3.82Å; I306-L312 HydrophobicContact CG2-CG 4.27Å; L312-P371 CarbonylContact C-O 3.48Å; L312-P371 WeakPolarHBondContact CA-O 3.49Å; L312-P371 HydrophobicContact CD2-CB 3.91Å; L312-L373 HydrophobicContact CD1-CD2 4.07Å; L312-F378 HydrophobicContact CD2-CE1 4.2Å; L312-F378 HydrophobicContact CD2-CE2 3.88Å; L312-F378 HydrophobicContact CD2-CZ 3.55Å; L312-F386 HydrophobicContact CD1-CE2 3.94Å; L312-F386 HydrophobicContact CD1-CZ 3.55Å
313	A	95.7	Very high	96.4	Very high	9 Å²	9	37.3 Å²	37.3	7%	0.074	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	155.2	169.1	0	0	0	0	0	112	V317 S318 P370 P371 V372 L373	A313-V317 HydrophobicContact CB-CB 4.24Å; A313-V317 HydrophobicContact CB-CG1 4.07Å; A313-S318 WeakPolarHBondContact CB-OG 3.19Å; A313-P370 HydrophobicContact CB-CG 3.65Å; A313-P371 PolarHBondContact N-O 2.97Å; A313-V372 WeakPolarHBondContact O-CA 3.41Å; A313-L373 PolarHBondContact O-N 2.97Å
314	T	94.7	Very high	96.3	Very high	70 Å²	70	41.8 Å²	41.8	43%	0.429	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	155.9	167.5	65.5	0	0	0	0	110.2	E316 V317 S318	T314-E316 PolarHBondContact O-N 2.94Å; T314-V317 PolarHBondContact O-N 3.47Å; T314-V317 VanDerWaalsContact O-N 3.17Å; T314-V317 WeakPolarHBondContact OG1-CG2 3.46Å; T314-V317 PolarHBondContact OG1-N 3.31Å; T314-S318 PolarHBondContact O-N 2.89Å; T314-S318 PolarHBondContact O-OG 3.18Å
315	S	95.6	Very high	96.3	Very high	29 Å²	29	41.9 Å²	41.9	20%	0.203	21%	0.214	C	C	.	.	H	α-helix	trans	-49.9	-39.9	172.7	-75.2	0	0	0	0	112.7	Y235 S318 L319 L373	Y235-S315 PolarHBondContact OH-OG 2.87Å; S315-S318 PolarHBondContact O-N 2.94Å; S315-L319 WeakPolarHBondContact O-CB 3.1Å; S315-L319 VanDerWaalsContact O-CG 3.25Å; S315-L319 WeakPolarHBondContact O-CG 3.47Å; S315-L319 PolarHBondContact O-N 3Å; S315-L373 PolarHBondContact OG-O 3.29Å
316	E	96.2	Very high	96.3	Very high	138 Å²	138	41.9 Å²	41.9	65%	0.645	21%	0.214	S	C	*	.	H	α-helix	trans	-63.4	-49.2	179.1	-178.4	179.3	-179.1	0	0	112.4	T314 S318 L319 N320	T314-E316 PolarHBondContact O-N 2.94Å; E316-S318 VanDerWaalsContact C-N 3.34Å; E316-S318 PolarHBondContact O-N 3.38Å; E316-L319 PolarHBondContact O-N 3.02Å; E316-N320 PolarHBondContact O-N 3.45Å; E316-N320 PolarHBondContact O-ND2 3.29Å
317	V	95.9	Very high	96.4	Very high	75 Å²	75	48.7 Å²	48.7	46%	0.455	24%	0.244	S	C	.	.	H	α-helix	trans	-60.3	-46	177.9	171.1	0	0	0	0	110.2	A313 T314 L319 N320 Q321	A313-V317 HydrophobicContact CB-CB 4.24Å; A313-V317 HydrophobicContact CB-CG1 4.07Å; T314-V317 PolarHBondContact O-N 3.47Å; T314-V317 VanDerWaalsContact O-N 3.17Å; T314-V317 WeakPolarHBondContact OG1-CG2 3.46Å; T314-V317 PolarHBondContact OG1-N 3.31Å; V317-L319 PolarHBondContact O-N 2.06Å; V317-N320 PolarHBondContact O-N 2.92Å; V317-Q321 HydrophobicContact CG1-CG 4.45Å; V317-Q321 WeakPolarHBondContact O-CG 3.44Å; V317-Q321 PolarHBondContact O-N 3.44Å
318	S	97.6	Very high	96.5	Very high	8 Å²	8	49.1 Å²	49.1	6%	0.056	25%	0.248	C	C	.	.	H	α-helix	trans	-66.8	-35.1	-179.8	-58.1	0	0	0	0	113.4	A313 T314 S315 E316 T322 V372	A313-S318 WeakPolarHBondContact CB-OG 3.19Å; T314-S318 PolarHBondContact O-N 2.89Å; T314-S318 PolarHBondContact O-OG 3.18Å; S315-S318 PolarHBondContact O-N 2.94Å; E316-S318 VanDerWaalsContact C-N 3.34Å; E316-S318 PolarHBondContact O-N 3.38Å; S318-T322 WeakPolarHBondContact O-CB 3.45Å; S318-T322 PolarHBondContact O-N 3.48Å; S318-T322 PolarHBondContact O-OG1 3Å; S318-V372 WeakPolarHBondContact OG-CB 3.23Å; S318-V372 WeakPolarHBondContact OG-CG2 3.4Å
319	L	97.2	Very high	96.6	Very high	55 Å²	55	49.6 Å²	49.6	29%	0.288	25%	0.25	S	S	.	.	H	α-helix	trans	-64.5	-47	172.6	-77.8	166.5	0	0	0	110.9	Y235 N237 S315 E316 V317 Q321 T322 Q323	Y235-L319 HydrophobicContact CD1-CD2 3.95Å; Y235-L319 HydrophobicContact CD1-CG 3.69Å; Y235-L319 HydrophobicContact CE1-CD1 4.08Å; Y235-L319 HydrophobicContact CE1-CD2 4.02Å; Y235-L319 HydrophobicContact CE1-CG 3.64Å; N237-L319 HydrophobicContact CB-CD2 4.4Å; S315-L319 WeakPolarHBondContact O-CB 3.1Å; S315-L319 VanDerWaalsContact O-CG 3.25Å; S315-L319 WeakPolarHBondContact O-CG 3.47Å; S315-L319 PolarHBondContact O-N 3Å; E316-L319 PolarHBondContact O-N 3.02Å; V317-L319 PolarHBondContact O-N 2.06Å; L319-Q321 PolarHBondContact O-N 3.38Å; L319-T322 PolarHBondContact O-N 2.85Å; L319-Q323 WeakPolarHBondContact O-CG 3.38Å; L319-Q323 PolarHBondContact O-N 2.87Å
320	N	96.8	Very high	96.8	Very high	96 Å²	96	48.4 Å²	48.4	51%	0.513	26%	0.256	S	S	.	.	H	α-helix	trans	-62	-42.6	179	-73.9	-21.6	0	0	0	111.9	E316 V317 T322 Q323 R324	E316-N320 PolarHBondContact O-N 3.45Å; E316-N320 PolarHBondContact O-ND2 3.29Å; V317-N320 PolarHBondContact O-N 2.92Å; N320-T322 PolarHBondContact O-N 3.22Å; N320-Q323 PolarHBondContact O-N 3.23Å; N320-R324 PolarHBondContact O-N 2.87Å
321	Q	96.7	Very high	96.9	Very high	41 Å²	41	47.8 Å²	47.8	19%	0.192	25%	0.254	C	S	.	.	H	α-helix	trans	-62	-42.2	175	-73.2	-67	96.2	0	0	112	V317 L319 Q323 R324 L325 M358 P368 F369	V317-Q321 HydrophobicContact CG1-CG 4.45Å; V317-Q321 WeakPolarHBondContact O-CG 3.44Å; V317-Q321 PolarHBondContact O-N 3.44Å; L319-Q321 PolarHBondContact O-N 3.38Å; Q321-Q323 VanDerWaalsContact C-N 3.35Å; Q321-Q323 PolarHBondContact O-N 3.24Å; Q321-R324 PolarHBondContact O-N 2.78Å; Q321-L325 PolarHBondContact O-N 3.4Å; Q321-M358 HydrophobicContact CB-CE 4.5Å; Q321-M358 WeakPolarHBondContact O-CE 3.21Å; Q321-P368 PolarHBondContact NE2-O 3.33Å; Q321-P368 VanDerWaalsContact NE2-O 3.14Å; Q321-F369 HydrophobicContact CB-CE1 4.39Å
322	T	97.5	Very high	96.7	Very high	1 Å²	1	50.1 Å²	50.1	1%	0.006	28%	0.278	C	S	.	.	H	α-helix	trans	-62.4	-41.5	174.5	-62.3	0	0	0	0	111.6	L234 Y235 M236 S318 L319 N320 L325 A326	L234-T322 HydrophobicContact CD1-CG2 3.82Å; L234-T322 HydrophobicContact CD2-CG2 4.28Å; L234-T322 HydrophobicContact CG-CG2 3.78Å; Y235-T322 PolarHBondContact N-OG1 3.08Å; Y235-T322 WeakPolarHBondContact O-CB 3.45Å; Y235-T322 PolarHBondContact O-OG1 2.78Å; M236-T322 HydrophobicContact CG-CG2 3.83Å; S318-T322 WeakPolarHBondContact O-CB 3.45Å; S318-T322 PolarHBondContact O-N 3.48Å; S318-T322 PolarHBondContact O-OG1 3Å; L319-T322 PolarHBondContact O-N 2.85Å; N320-T322 PolarHBondContact O-N 3.22Å; T322-L325 PolarHBondContact O-N 3.34Å; T322-A326 VanDerWaalsContact O-CB 3.29Å; T322-A326 WeakPolarHBondContact O-CB 3.15Å; T322-A326 PolarHBondContact O-N 3.22Å
323	Q	97.3	Very high	96.3	Very high	65 Å²	65	54.5 Å²	54.5	30%	0.304	29%	0.293	S	S	.	.	H	α-helix	trans	-66.4	-37.5	175.9	-68.1	-53.1	-37.3	0	0	112.8	L319 N320 Q321 A326 K327	L319-Q323 WeakPolarHBondContact O-CG 3.38Å; L319-Q323 PolarHBondContact O-N 2.87Å; N320-Q323 PolarHBondContact O-N 3.23Å; Q321-Q323 VanDerWaalsContact C-N 3.35Å; Q321-Q323 PolarHBondContact O-N 3.24Å; Q323-A326 PolarHBondContact O-N 3.37Å; Q323-K327 VanDerWaalsContact O-CG 3.29Å; Q323-K327 WeakPolarHBondContact O-CG 3.42Å; Q323-K327 PolarHBondContact O-N 2.77Å
324	R	97	Very high	95.7	Very high	93 Å²	93	66.4 Å²	66.4	35%	0.351	34%	0.336	S	S	.	.	H	α-helix	trans	-62.8	-48.8	174.7	-179.9	-177	168.7	-167.7	-0.6	110.9	N320 Q321 A326 K327 I328 T357 M358	N320-R324 PolarHBondContact O-N 2.87Å; Q321-R324 PolarHBondContact O-N 2.78Å; R324-A326 VanDerWaalsContact C-N 3.34Å; R324-A326 PolarHBondContact O-N 2.9Å; R324-K327 PolarHBondContact O-N 2.03Å; R324-I328 HydrophobicContact CG-CD1 4.14Å; R324-I328 WeakPolarHBondContact O-CG1 3.5Å; R324-I328 PolarHBondContact O-N 2.71Å; R324-I328 VanDerWaalsContact O-N 3.1Å; R324-T357 PolarHBondContact NH2-O 2.98Å; R324-M358 HydrophobicContact CB-CE 4Å; R324-M358 HydrophobicContact CB-SD 4.28Å; R324-M358 HydrophobicContact CG-CE 3.95Å; R324-M358 HydrophobicContact CG-SD 3.67Å; R324-M358 PolarHBondContact NH1-O 3.48Å
325	L	98	Very high	95.6	Very high	2 Å²	2	65.2 Å²	65.2	1%	0.01	33%	0.331	C	S	.	.	H	α-helix	trans	-58.9	-46.2	175	-179.4	72.5	0	0	0	111.5	L234 Q321 T322 K327 I328 L329 A354 M358 F369	L234-L325 HydrophobicContact CD1-CD2 3.84Å; Q321-L325 PolarHBondContact O-N 3.4Å; T322-L325 PolarHBondContact O-N 3.34Å; L325-K327 VanDerWaalsContact C-N 3.28Å; L325-K327 PolarHBondContact O-N 3.09Å; L325-I328 PolarHBondContact O-N 2.98Å; L325-L329 HydrophobicContact CD1-CD1 4.05Å; L325-L329 HydrophobicContact CD1-CG 4.42Å; L325-L329 HydrophobicContact CD2-CD1 4.3Å; L325-L329 HydrophobicContact CG-CD1 3.83Å; L325-L329 HydrophobicContact CG-CG 4.49Å; L325-L329 WeakPolarHBondContact O-CG 3.26Å; L325-L329 PolarHBondContact O-N 2.91Å; L325-A354 HydrophobicContact CD1-CB 3.68Å; L325-M358 HydrophobicContact CB-CE 4.2Å; L325-M358 HydrophobicContact CB-SD 4.36Å; L325-M358 HydrophobicContact CD1-CG 4.43Å; L325-F369 HydrophobicContact CB-CZ 3.96Å; L325-F369 HydrophobicContact CD2-CE1 4.38Å; L325-F369 HydrophobicContact CD2-CE2 4.36Å; L325-F369 HydrophobicContact CD2-CZ 3.69Å; L325-F369 HydrophobicContact CG-CZ 4.27Å
326	A	98.1	Very high	95.5	Very high	0 Å²	0	66.5 Å²	66.5	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-60.1	-38.7	178.7	0	0	0	0	0	111.9	T322 Q323 R324 L329 G330 C331 G332 Q339 L343	T322-A326 VanDerWaalsContact O-CB 3.29Å; T322-A326 WeakPolarHBondContact O-CB 3.15Å; T322-A326 PolarHBondContact O-N 3.22Å; Q323-A326 PolarHBondContact O-N 3.37Å; R324-A326 VanDerWaalsContact C-N 3.34Å; R324-A326 PolarHBondContact O-N 2.9Å; A326-L329 PolarHBondContact O-N 2.89Å; A326-G330 PolarHBondContact O-N 3.23Å; A326-C331 HydrophobicContact CB-CB 4.24Å; A326-C331 CarbonylContact O-C 3.38Å; A326-C331 VanDerWaalsContact O-CA 3.29Å; A326-C331 WeakPolarHBondContact O-CA 3.16Å; A326-C331 PolarHBondContact O-N 2.96Å; A326-G332 PolarHBondContact O-N 3.43Å; A326-Q339 HydrophobicContact CB-CG 4.3Å; A326-L343 HydrophobicContact CB-CD2 4.33Å
327	K	97.4	Very high	95.4	Very high	150 Å²	150	65.5 Å²	65.5	65%	0.652	34%	0.339	S	S	*	.	H	α-helix	trans	-63.5	-46.6	174.4	-73.7	170.8	-176.6	178.3	0	112.1	Q323 R324 L325 L329 G330	Q323-K327 VanDerWaalsContact O-CG 3.29Å; Q323-K327 WeakPolarHBondContact O-CG 3.42Å; Q323-K327 PolarHBondContact O-N 2.77Å; R324-K327 PolarHBondContact O-N 2.03Å; L325-K327 VanDerWaalsContact C-N 3.28Å; L325-K327 PolarHBondContact O-N 3.09Å; K327-L329 VanDerWaalsContact C-N 3.28Å; K327-L329 PolarHBondContact O-N 3.19Å; K327-G330 PolarHBondContact O-N 3.34Å; K327-G330 VanDerWaalsContact O-N 3.1Å
328	I	97.9	Very high	95.4	Very high	76 Å²	76	65.9 Å²	65.9	39%	0.39	34%	0.338	S	S	.	.	H	α-helix	trans	-58.9	-41.3	178.4	-66.4	156.9	0	0	0	110.9	R324 L325 G330 A354 T357 M358	R324-I328 HydrophobicContact CG-CD1 4.14Å; R324-I328 WeakPolarHBondContact O-CG1 3.5Å; R324-I328 PolarHBondContact O-N 2.71Å; R324-I328 VanDerWaalsContact O-N 3.1Å; L325-I328 PolarHBondContact O-N 2.98Å; I328-G330 VanDerWaalsContact C-N 3.26Å; I328-G330 PolarHBondContact O-N 3.42Å; I328-A354 HydrophobicContact CB-CB 4.42Å; I328-A354 HydrophobicContact CG2-CB 3.63Å; I328-T357 WeakPolarHBondContact CD1-OG1 3.44Å; I328-M358 HydrophobicContact CD1-CG 4.41Å; I328-M358 HydrophobicContact CD1-SD 3.48Å; I328-M358 WeakPolarHBondContact CD1-SD 3.28Å
329	L	98.1	Very high	95.4	Very high	14 Å²	14	65.7 Å²	65.7	7%	0.073	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-2.6	179.9	-67.4	172.4	0	0	0	114.3	L325 A326 K327 C331 L343 K346 E350 I351 A354	L325-L329 HydrophobicContact CD1-CD1 4.05Å; L325-L329 HydrophobicContact CD1-CG 4.42Å; L325-L329 HydrophobicContact CD2-CD1 4.3Å; L325-L329 HydrophobicContact CG-CD1 3.83Å; L325-L329 HydrophobicContact CG-CG 4.49Å; L325-L329 WeakPolarHBondContact O-CG 3.26Å; L325-L329 PolarHBondContact O-N 2.91Å; A326-L329 PolarHBondContact O-N 2.89Å; K327-L329 VanDerWaalsContact C-N 3.28Å; K327-L329 PolarHBondContact O-N 3.19Å; L329-C331 VanDerWaalsContact C-N 3.33Å; L329-L343 HydrophobicContact CD1-CD2 3.8Å; L329-K346 HydrophobicContact CB-CD 4.3Å; L329-K346 HydrophobicContact CB-CG 4.4Å; L329-K346 HydrophobicContact CD1-CG 4.34Å; L329-K346 HydrophobicContact CD2-CD 4.24Å; L329-K346 HydrophobicContact CD2-CG 4.41Å; L329-K346 WeakPolarHBondContact O-CE 3.13Å; L329-K346 PolarHBondContact O-NZ 2.87Å; L329-E350 HydrophobicContact CD2-CB 4.14Å; L329-E350 WeakPolarHBondContact CD2-O 3.47Å; L329-I351 HydrophobicContact CD1-CG1 4.18Å; L329-A354 HydrophobicContact CD2-CB 3.65Å; L329-A354 HydrophobicContact CG-CB 3.97Å
330	G	97.6	Very high	95.4	Very high	52 Å²	52	63.3 Å²	63.3	54%	0.536	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.6	22.4	-174.3	0	0	0	0	0	114.3	A326 K327 I328	A326-G330 PolarHBondContact O-N 3.23Å; K327-G330 PolarHBondContact O-N 3.34Å; K327-G330 VanDerWaalsContact O-N 3.1Å; I328-G330 VanDerWaalsContact C-N 3.26Å; I328-G330 PolarHBondContact O-N 3.42Å
331	C	98	Very high	95.5	Very high	0 Å²	0	66.2 Å²	66.2	0%	0	33%	0.332	C	S	.	.			trans	-106.8	24.9	178.4	-60.7	0	0	0	0	113.5	A326 L329 Y333 Q339 C342 L343	A326-C331 HydrophobicContact CB-CB 4.24Å; A326-C331 CarbonylContact O-C 3.38Å; A326-C331 VanDerWaalsContact O-CA 3.29Å; A326-C331 WeakPolarHBondContact O-CA 3.16Å; A326-C331 PolarHBondContact O-N 2.96Å; L329-C331 VanDerWaalsContact C-N 3.33Å; C331-Y333 PolarHBondContact O-N 3.34Å; C331-Q339 WeakPolarHBondContact O-CG 3.42Å; C331-Q339 PolarHBondContact O-NE2 3.29Å; C331-Q339 VanDerWaalsContact O-NE2 3.09Å; C331-C342 WeakPolarHBondContact CA-SG 3.31Å; C331-C342 HydrophobicContact CB-CB 3.68Å; C331-C342 WeakPolarHBondContact CB-SG 3.48Å; C331-C342 WeakPolarHBondContact SG-CB 3.21Å; C331-C342 CovalentContact SG-SG 2.04Å; C331-C342 PolarHBondContact SG-SG 2.97Å; C331-L343 HydrophobicContact CB-CD2 4.01Å; C331-L343 HydrophobicContact CB-CG 4.12Å
332	G	92.1	Very high	95.5	Very high	49 Å²	49	65.1 Å²	65.1	51%	0.505	33%	0.329	S	S	.	.			trans	-73	44.4	-178.4	0	0	0	0	0	115.7	A326	A326-G332 PolarHBondContact O-N 3.43Å
333	Y	87.1	Confident	95.6	Very high	122 Å²	122	65.1 Å²	65.1	48%	0.478	33%	0.329	S	S	.	.			trans	-77.9	151	-179.6	-62.8	-84.3	0	0	0	112.6	C331 D338 C342	C331-Y333 PolarHBondContact O-N 3.34Å; Y333-D338 HydrophobicContact CD1-CB 4.38Å; Y333-D338 HydrophobicContact CG-CB 4.1Å; Y333-C342 HydrophobicContact CD2-CB 4.26Å; Y333-C342 HydrophobicContact CE2-CB 3.88Å
334	R	83.4	Confident	95.6	Very high	258 Å²	258	64.2 Å²	64.2	97%	0.974	32%	0.323	S	S	*	.	S	Bend	trans	-73.9	-33	174	-69.2	-174.7	177.5	-178.1	-0.7	113.1
335	S	92.4	Very high	95.7	Very high	46 Å²	46	64.1 Å²	64.1	32%	0.322	34%	0.336	S	S	.	.	S	Bend	trans	-79.7	122.7	178	162.9	0	0	0	0	109.7	N337 D338 Q339	S335-N337 PolarHBondContact O-N 2.8Å; S335-N337 PolarHBondContact OG-N 3.4Å; S335-D338 WeakPolarHBondContact CB-OD2 3.33Å; S335-D338 PolarHBondContact O-N 3.38Å; S335-D338 PolarHBondContact OG-N 3.48Å; S335-D338 PolarHBondContact OG-OD2 2.87Å; S335-Q339 WeakPolarHBondContact O-CB 3.36Å; S335-Q339 PolarHBondContact O-N 2.81Å
336	S	92.8	Very high	95.7	Very high	56 Å²	56	65.9 Å²	65.9	39%	0.392	34%	0.344	S	S	.	.	H	α-helix	trans	-58.9	-34.2	176.7	-53.6	0	0	0	0	112.1	M236 I340	M236-S336 WeakPolarHBondContact CE-O 3.37Å; S336-I340 WeakPolarHBondContact O-CG2 3.27Å; S336-I340 PolarHBondContact O-N 3.42Å
337	N	94.8	Very high	95.7	Very high	116 Å²	116	68.3 Å²	68.3	62%	0.62	36%	0.361	S	S	*	.	H	α-helix	trans	-68.7	-41.2	179.1	-73.2	-13	0	0	0	112.3	S335 I340 K341	S335-N337 PolarHBondContact O-N 2.8Å; S335-N337 PolarHBondContact OG-N 3.4Å; N337-I340 WeakPolarHBondContact O-CG2 3.33Å; N337-K341 VanDerWaalsContact O-CB 3.31Å; N337-K341 WeakPolarHBondContact O-CB 3.27Å; N337-K341 PolarHBondContact O-N 3.35Å; N337-K341 VanDerWaalsContact O-N 3.1Å
338	D	96.3	Very high	95.7	Very high	83 Å²	83	62.9 Å²	62.9	44%	0.444	34%	0.338	S	S	.	.	H	α-helix	trans	-72.3	-38.4	177.9	-62.5	-45.1	0	0	0	111	Y333 S335 K341 C342	Y333-D338 HydrophobicContact CD1-CB 4.38Å; Y333-D338 HydrophobicContact CG-CB 4.1Å; S335-D338 WeakPolarHBondContact CB-OD2 3.33Å; S335-D338 PolarHBondContact O-N 3.38Å; S335-D338 PolarHBondContact OG-N 3.48Å; S335-D338 PolarHBondContact OG-OD2 2.87Å; D338-K341 PolarHBondContact O-N 2.83Å; D338-C342 WeakPolarHBondContact O-CB 3.4Å; D338-C342 PolarHBondContact O-N 2.81Å
339	Q	97.4	Very high	95.7	Very high	4 Å²	4	63.4 Å²	63.4	2%	0.019	35%	0.345	C	S	.	.	H	α-helix	trans	-60.5	-50.5	175.2	178.8	165.1	83	0	0	111.5	M236 A326 C331 S335 K341 C342 L343	M236-Q339 HydrophobicContact CE-CB 4.13Å; M236-Q339 HydrophobicContact CE-CG 3.96Å; A326-Q339 HydrophobicContact CB-CG 4.3Å; C331-Q339 WeakPolarHBondContact O-CG 3.42Å; C331-Q339 PolarHBondContact O-NE2 3.29Å; C331-Q339 VanDerWaalsContact O-NE2 3.09Å; S335-Q339 WeakPolarHBondContact O-CB 3.36Å; S335-Q339 PolarHBondContact O-N 2.81Å; Q339-K341 VanDerWaalsContact C-N 3.35Å; Q339-K341 PolarHBondContact O-N 2.78Å; Q339-C342 PolarHBondContact O-N 2.86Å; Q339-L343 HydrophobicContact CG-CD1 3.97Å; Q339-L343 HydrophobicContact CG-CG 4.46Å; Q339-L343 WeakPolarHBondContact O-CG 3.32Å; Q339-L343 PolarHBondContact O-N 3.5Å
340	I	97.6	Very high	95.8	Very high	6 Å²	6	66.3 Å²	66.3	3%	0.031	36%	0.358	C	S	.	.	H	α-helix	trans	-66.8	-36.5	-179.9	-168.8	57.3	0	0	0	112.1	F114 M236 E240 A241 S336 N337 C342 L343 R344	F114-I340 HydrophobicContact CB-CD1 4.14Å; F114-I340 HydrophobicContact CD2-CD1 3.59Å; F114-I340 HydrophobicContact CE2-CD1 4.42Å; F114-I340 HydrophobicContact CG-CD1 4.22Å; M236-I340 HydrophobicContact CE-CB 4.08Å; M236-I340 HydrophobicContact SD-CB 4.03Å; M236-I340 HydrophobicContact SD-CD1 3.81Å; M236-I340 HydrophobicContact SD-CG1 4.34Å; E240-I340 HydrophobicContact CB-CG1 4.09Å; E240-I340 HydrophobicContact CB-CG2 4.33Å; A241-I340 HydrophobicContact CB-CD1 4.09Å; S336-I340 WeakPolarHBondContact O-CG2 3.27Å; S336-I340 PolarHBondContact O-N 3.42Å; N337-I340 WeakPolarHBondContact O-CG2 3.33Å; I340-C342 VanDerWaalsContact C-N 3.33Å; I340-C342 PolarHBondContact O-N 2.82Å; I340-L343 PolarHBondContact O-N 2.85Å; I340-R344 HydrophobicContact CD1-CG 4.5Å; I340-R344 WeakPolarHBondContact O-CB 3.49Å; I340-R344 WeakPolarHBondContact O-CG 3.34Å; I340-R344 PolarHBondContact O-N 2.85Å
341	K	97.4	Very high	95.8	Very high	157 Å²	157	63.9 Å²	63.9	68%	0.683	33%	0.333	S	S	*	.	H	α-helix	trans	-61.1	-43.2	174.4	-174.9	179.7	177.9	-176.8	0	111.3	N337 D338 Q339 S345	N337-K341 VanDerWaalsContact O-CB 3.31Å; N337-K341 WeakPolarHBondContact O-CB 3.27Å; N337-K341 PolarHBondContact O-N 3.35Å; N337-K341 VanDerWaalsContact O-N 3.1Å; D338-K341 PolarHBondContact O-N 2.83Å; Q339-K341 VanDerWaalsContact C-N 3.35Å; Q339-K341 PolarHBondContact O-N 2.78Å; K341-S345 PolarHBondContact O-N 3.41Å
342	C	98.4	Very high	95.8	Very high	18 Å²	18	64.9 Å²	64.9	12%	0.122	34%	0.339	C	S	.	.	H	α-helix	trans	-64.7	-47.2	174.6	180	0	0	0	0	112.1	C331 Y333 D338 Q339 I340 R344 S345 K346	C331-C342 WeakPolarHBondContact CA-SG 3.31Å; C331-C342 HydrophobicContact CB-CB 3.68Å; C331-C342 WeakPolarHBondContact CB-SG 3.48Å; C331-C342 WeakPolarHBondContact SG-CB 3.21Å; C331-C342 CovalentContact SG-SG 2.04Å; C331-C342 PolarHBondContact SG-SG 2.97Å; Y333-C342 HydrophobicContact CD2-CB 4.26Å; Y333-C342 HydrophobicContact CE2-CB 3.88Å; D338-C342 WeakPolarHBondContact O-CB 3.4Å; D338-C342 PolarHBondContact O-N 2.81Å; Q339-C342 PolarHBondContact O-N 2.86Å; I340-C342 VanDerWaalsContact C-N 3.33Å; I340-C342 PolarHBondContact O-N 2.82Å; C342-R344 VanDerWaalsContact C-N 3.25Å; C342-R344 PolarHBondContact O-N 3.09Å; C342-S345 PolarHBondContact O-N 2.79Å; C342-S345 PolarHBondContact O-OG 3.25Å; C342-K346 PolarHBondContact O-N 2.97Å
343	L	98.3	Very high	96	Very high	1 Å²	1	67.3 Å²	67.3	1%	0.005	34%	0.34	C	S	.	.	H	α-helix	trans	-60.2	-36.8	179.1	-71.1	169.8	0	0	0	112	F114 L234 M236 A326 L329 C331 Q339 I340 S345 K346	F114-L343 HydrophobicContact CE2-CB 3.92Å; L234-L343 HydrophobicContact CD1-CD1 4.25Å; L234-L343 HydrophobicContact CD2-CD1 4.32Å; M236-L343 HydrophobicContact SD-CD1 4.19Å; A326-L343 HydrophobicContact CB-CD2 4.33Å; L329-L343 HydrophobicContact CD1-CD2 3.8Å; C331-L343 HydrophobicContact CB-CD2 4.01Å; C331-L343 HydrophobicContact CB-CG 4.12Å; Q339-L343 HydrophobicContact CG-CD1 3.97Å; Q339-L343 HydrophobicContact CG-CG 4.46Å; Q339-L343 WeakPolarHBondContact O-CG 3.32Å; Q339-L343 PolarHBondContact O-N 3.5Å; I340-L343 PolarHBondContact O-N 2.85Å; L343-S345 VanDerWaalsContact C-N 3.31Å; L343-S345 PolarHBondContact O-N 2.87Å; L343-K346 PolarHBondContact O-N 3.46Å
344	R	98.2	Very high	96.5	Very high	46 Å²	46	61.8 Å²	61.8	17%	0.174	32%	0.319	C	S	.	.	H	α-helix	trans	-69.8	-25	175	-74.2	-177.7	176.6	141.6	6	113.9	G110 R113 F114 E240 I340 C342 K346	G110-R344 WeakPolarHBondContact O-CD 3.34Å; R113-R344 HydrophobicContact CB-CG 4.29Å; R113-R344 PolarHBondContact NH1-O 2.83Å; R113-R344 VanDerWaalsContact NH1-O 3.14Å; R113-R344 PolarHBondContact O-NE 3.22Å; R113-R344 PolarHBondContact O-NH2 2.98Å; F114-R344 HydrophobicContact CD2-CG 3.97Å; F114-R344 HydrophobicContact CE2-CG 4.19Å; E240-R344 PolarHBondContact O-NH2 2.68Å; E240-R344 IonicContact OE2-CZ 3.77Å; E240-R344 IonicContact OE2-NH1 3.13Å; E240-R344 PolarHBondContact OE2-NH1 3Å; E240-R344 IonicContact OE2-NH2 3.19Å; E240-R344 PolarHBondContact OE2-NH2 2.85Å; I340-R344 HydrophobicContact CD1-CG 4.5Å; I340-R344 WeakPolarHBondContact O-CB 3.49Å; I340-R344 WeakPolarHBondContact O-CG 3.34Å; I340-R344 PolarHBondContact O-N 2.85Å; C342-R344 VanDerWaalsContact C-N 3.25Å; C342-R344 PolarHBondContact O-N 3.09Å; R344-K346 VanDerWaalsContact C-N 3.25Å; R344-K346 PolarHBondContact O-N 3.05Å
345	S	98	Very high	97	Very high	90 Å²	90	49.7 Å²	49.7	63%	0.629	27%	0.274	S	S	*	.	H	α-helix	trans	-79.5	-9.1	177.3	76.3	0	0	0	0	113.3	K341 C342 L343	K341-S345 PolarHBondContact O-N 3.41Å; C342-S345 PolarHBondContact O-N 2.79Å; C342-S345 PolarHBondContact O-OG 3.25Å; L343-S345 VanDerWaalsContact C-N 3.31Å; L343-S345 PolarHBondContact O-N 2.87Å
346	K	98.4	Very high	97	Very high	40 Å²	40	51.6 Å²	51.6	17%	0.174	28%	0.28	C	S	.	.	S	Bend	trans	-75.3	142.3	179.5	-62.7	-70.9	160.3	176.2	0	111.5	R113 L329 C342 L343 R344 E350 I351	R113-K346 PolarHBondContact NH1-O 2.8Å; L329-K346 HydrophobicContact CB-CD 4.3Å; L329-K346 HydrophobicContact CB-CG 4.4Å; L329-K346 HydrophobicContact CD1-CG 4.34Å; L329-K346 HydrophobicContact CD2-CD 4.24Å; L329-K346 HydrophobicContact CD2-CG 4.41Å; L329-K346 WeakPolarHBondContact O-CE 3.13Å; L329-K346 PolarHBondContact O-NZ 2.87Å; C342-K346 PolarHBondContact O-N 2.97Å; L343-K346 PolarHBondContact O-N 3.46Å; R344-K346 VanDerWaalsContact C-N 3.25Å; R344-K346 PolarHBondContact O-N 3.05Å; K346-E350 HydrophobicContact CB-CB 4.49Å; K346-E350 HydrophobicContact CD-CB 4.43Å; K346-E350 WeakPolarHBondContact CD-OE1 3.29Å; K346-E350 IonicContact NZ-OE1 2.8Å; K346-E350 PolarHBondContact NZ-OE1 3.22Å; K346-I351 HydrophobicContact CB-CD1 4.15Å; K346-I351 HydrophobicContact CB-CG1 3.96Å
347	S	98.3	Very high	97.1	Very high	50 Å²	50	52.5 Å²	52.5	35%	0.35	28%	0.284	S	S	.	.			trans	-71.1	165.1	173.4	63.1	0	0	0	0	111.7	T349 E350 I351	S347-T349 VanDerWaalsContact C-N 3.3Å; S347-T349 PolarHBondContact O-N 2.94Å; S347-E350 WeakPolarHBondContact CB-OE2 3.27Å; S347-E350 PolarHBondContact N-OE2 2.87Å; S347-E350 WeakPolarHBondContact OG-CB 3.12Å; S347-E350 VanDerWaalsContact OG-CG 3.3Å; S347-E350 WeakPolarHBondContact OG-CG 3.46Å; S347-E350 PolarHBondContact OG-N 3.09Å; S347-E350 VanDerWaalsContact OG-N 3.17Å; S347-E350 PolarHBondContact OG-OE2 3.35Å; S347-I351 WeakPolarHBondContact O-CG1 3.4Å; S347-I351 PolarHBondContact O-N 2.92Å
348	I	98.1	Very high	97.1	Very high	36 Å²	36	47 Å²	47	19%	0.185	25%	0.254	C	S	.	.	H	α-helix	trans	-56.5	-48.2	172.1	-65.7	169.8	0	0	0	110.2	P138 M160 E162 F231 I351 L352	P138-I348 HydrophobicContact CB-CG2 3.74Å; P138-I348 HydrophobicContact CG-CD1 4.16Å; P138-I348 HydrophobicContact CG-CG1 4.39Å; P138-I348 HydrophobicContact CG-CG2 4.23Å; M160-I348 HydrophobicContact CE-CG2 3.81Å; E162-I348 HydrophobicContact CB-CD1 4.41Å; E162-I348 HydrophobicContact CG-CD1 3.71Å; E162-I348 HydrophobicContact CG-CG1 3.86Å; E162-I348 WeakPolarHBondContact OE1-CD1 3.41Å; E162-I348 WeakPolarHBondContact OE1-CG1 3.47Å; F231-I348 HydrophobicContact CZ-CG1 4.38Å; F231-I348 HydrophobicContact CZ-CG2 4.4Å; I348-I351 PolarHBondContact O-N 2.84Å; I348-L352 HydrophobicContact CG2-CD1 3.73Å; I348-L352 HydrophobicContact CG2-CG 4.18Å; I348-L352 WeakPolarHBondContact O-CG 3.16Å; I348-L352 PolarHBondContact O-N 2.91Å
349	T	98	Very high	96.9	Very high	87 Å²	87	46.5 Å²	46.5	53%	0.534	25%	0.247	S	C	.	.	H	α-helix	trans	-59.7	-48.8	-178	-50	0	0	0	0	111.8	S347 I351 L352 D353	S347-T349 VanDerWaalsContact C-N 3.3Å; S347-T349 PolarHBondContact O-N 2.94Å; T349-I351 VanDerWaalsContact C-N 3.26Å; T349-I351 PolarHBondContact O-N 3.26Å; T349-L352 PolarHBondContact O-N 3.19Å; T349-L352 VanDerWaalsContact O-N 3.14Å; T349-D353 WeakPolarHBondContact O-CB 3.21Å; T349-D353 VanDerWaalsContact O-CG 3.23Å; T349-D353 PolarHBondContact O-N 3.3Å
350	E	98.4	Very high	96.5	Very high	75 Å²	75	49.7 Å²	49.7	35%	0.35	26%	0.264	S	S	.	.	H	α-helix	trans	-56.6	-40.6	177.4	-76.8	168.7	99.9	0	0	112.3	L329 K346 S347 A354	L329-E350 HydrophobicContact CD2-CB 4.14Å; L329-E350 WeakPolarHBondContact CD2-O 3.47Å; K346-E350 HydrophobicContact CB-CB 4.49Å; K346-E350 HydrophobicContact CD-CB 4.43Å; K346-E350 WeakPolarHBondContact CD-OE1 3.29Å; K346-E350 IonicContact NZ-OE1 2.8Å; K346-E350 PolarHBondContact NZ-OE1 3.22Å; S347-E350 WeakPolarHBondContact CB-OE2 3.27Å; S347-E350 PolarHBondContact N-OE2 2.87Å; S347-E350 WeakPolarHBondContact OG-CB 3.12Å; S347-E350 VanDerWaalsContact OG-CG 3.3Å; S347-E350 WeakPolarHBondContact OG-CG 3.46Å; S347-E350 PolarHBondContact OG-N 3.09Å; S347-E350 VanDerWaalsContact OG-N 3.17Å; S347-E350 PolarHBondContact OG-OE2 3.35Å; E350-A354 VanDerWaalsContact O-CB 3.31Å; E350-A354 WeakPolarHBondContact O-CB 3.19Å; E350-A354 PolarHBondContact O-N 2.77Å
351	I	98.4	Very high	96	Very high	2 Å²	2	55 Å²	55	1%	0.01	30%	0.299	C	S	.	.	H	α-helix	trans	-68.9	-40.6	179.5	-68.4	171.4	0	0	0	111.3	F114 S230 F231 L329 K346 S347 I348 T349 H355	F114-I351 HydrophobicContact CZ-CD1 4.2Å; S230-I351 WeakPolarHBondContact OG-CG2 3.43Å; F231-I351 HydrophobicContact CD2-CG2 4.44Å; F231-I351 HydrophobicContact CE1-CD1 3.73Å; F231-I351 HydrophobicContact CE2-CB 4.25Å; F231-I351 HydrophobicContact CE2-CG2 3.66Å; F231-I351 HydrophobicContact CZ-CB 3.9Å; F231-I351 HydrophobicContact CZ-CD1 3.7Å; F231-I351 HydrophobicContact CZ-CG1 4.4Å; F231-I351 HydrophobicContact CZ-CG2 3.75Å; L329-I351 HydrophobicContact CD1-CG1 4.18Å; K346-I351 HydrophobicContact CB-CD1 4.15Å; K346-I351 HydrophobicContact CB-CG1 3.96Å; S347-I351 WeakPolarHBondContact O-CG1 3.4Å; S347-I351 PolarHBondContact O-N 2.92Å; I348-I351 PolarHBondContact O-N 2.84Å; T349-I351 VanDerWaalsContact C-N 3.26Å; T349-I351 PolarHBondContact O-N 3.26Å; I351-H355 WeakPolarHBondContact O-CB 3.41Å; I351-H355 PolarHBondContact O-N 2.91Å
352	L	97.9	Very high	95.5	Very high	21 Å²	21	48 Å²	48	11%	0.11	27%	0.271	C	S	.	.	H	α-helix	trans	-69.7	-42.9	178.6	-66.4	179.1	0	0	0	111.7	M160 F231 I348 T349 A354 H355 D356	M160-L352 HydrophobicContact CE-CD1 3.89Å; M160-L352 HydrophobicContact SD-CD1 4Å; F231-L352 HydrophobicContact CE2-CD2 4.4Å; I348-L352 HydrophobicContact CG2-CD1 3.73Å; I348-L352 HydrophobicContact CG2-CG 4.18Å; I348-L352 WeakPolarHBondContact O-CG 3.16Å; I348-L352 PolarHBondContact O-N 2.91Å; T349-L352 PolarHBondContact O-N 3.19Å; T349-L352 VanDerWaalsContact O-N 3.14Å; L352-A354 VanDerWaalsContact C-N 3.28Å; L352-A354 PolarHBondContact O-N 2.94Å; L352-H355 VanDerWaalsContact O-CB 3.32Å; L352-H355 WeakPolarHBondContact O-CB 3.43Å; L352-H355 PolarHBondContact O-N 2.94Å; L352-H355 VanDerWaalsContact O-N 3.08Å; L352-D356 PolarHBondContact O-N 2.78Å; L352-D356 VanDerWaalsContact O-N 3.07Å
353	D	97.3	Very high	95.2	Very high	100 Å²	100	48 Å²	48	54%	0.535	27%	0.27	S	S	.	.	H	α-helix	trans	-61.1	-40.3	175.2	-65.7	-14	0	0	0	110.9	T349 D356	T349-D353 WeakPolarHBondContact O-CB 3.21Å; T349-D353 VanDerWaalsContact O-CG 3.23Å; T349-D353 PolarHBondContact O-N 3.3Å; D353-D356 PolarHBondContact O-N 2.92Å
354	A	97.7	Very high	94.8	Very high	5 Å²	5	48.8 Å²	48.8	4%	0.041	27%	0.274	C	S	.	.	H	α-helix	trans	-65.9	-40.8	173.9	0	0	0	0	0	111.8	L325 I328 L329 E350 L352 D356 T357 M358	L325-A354 HydrophobicContact CD1-CB 3.68Å; I328-A354 HydrophobicContact CB-CB 4.42Å; I328-A354 HydrophobicContact CG2-CB 3.63Å; L329-A354 HydrophobicContact CD2-CB 3.65Å; L329-A354 HydrophobicContact CG-CB 3.97Å; E350-A354 VanDerWaalsContact O-CB 3.31Å; E350-A354 WeakPolarHBondContact O-CB 3.19Å; E350-A354 PolarHBondContact O-N 2.77Å; L352-A354 VanDerWaalsContact C-N 3.28Å; L352-A354 PolarHBondContact O-N 2.94Å; A354-D356 VanDerWaalsContact C-N 3.27Å; A354-D356 PolarHBondContact O-N 3.25Å; A354-T357 PolarHBondContact O-N 3.39Å; A354-T357 VanDerWaalsContact O-N 3.14Å; A354-T357 PolarHBondContact O-OG1 2.93Å; A354-M358 WeakPolarHBondContact O-CG 3.48Å
355	H	94.1	Very high	94.6	Very high	4 Å²	4	47.3 Å²	47.3	2%	0.019	27%	0.268	C	S	.	.	H	α-helix	trans	-57.8	-38	177.3	178	-82.2	0	0	0	112.3	Y199 I351 L352 T357 M358 Y359	Y199-H355 AromaticContact CD2-CE1 3.93Å; Y199-H355 AromaticContact CG-CE1 3.91Å; Y199-H355 AromaticContact CG-NE2 3.99Å; I351-H355 WeakPolarHBondContact O-CB 3.41Å; I351-H355 PolarHBondContact O-N 2.91Å; L352-H355 VanDerWaalsContact O-CB 3.32Å; L352-H355 WeakPolarHBondContact O-CB 3.43Å; L352-H355 PolarHBondContact O-N 2.94Å; L352-H355 VanDerWaalsContact O-N 3.08Å; H355-T357 PolarHBondContact O-N 3.39Å; H355-T357 VanDerWaalsContact O-N 3.11Å; H355-M358 VanDerWaalsContact O-CB 3.25Å; H355-M358 WeakPolarHBondContact O-CB 3.24Å; H355-M358 PolarHBondContact O-N 3.21Å; H355-Y359 AromaticContact CE1-CE1 3.92Å; H355-Y359 AromaticContact CE1-CZ 3.61Å; H355-Y359 PolarHBondContact CE1-OH 3.36Å; H355-Y359 VanDerWaalsContact CE1-OH 3.25Å; H355-Y359 AromaticContact ND1-CZ 3.9Å
356	D	92.2	Very high	94.3	Very high	86 Å²	86	44.1 Å²	44.1	46%	0.46	25%	0.246	S	C	.	.	H	α-helix	trans	-63	-20.4	179.9	-72.2	-15.3	0	0	0	113.5	L352 D353 A354 Y359	L352-D356 PolarHBondContact O-N 2.78Å; L352-D356 VanDerWaalsContact O-N 3.07Å; D353-D356 PolarHBondContact O-N 2.92Å; A354-D356 VanDerWaalsContact C-N 3.27Å; A354-D356 PolarHBondContact O-N 3.25Å; D356-Y359 WeakPolarHBondContact O-CD2 3.37Å
357	T	94.2	Very high	94.2	Very high	76 Å²	76	43.1 Å²	43.1	47%	0.466	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.9	0.9	174.8	72	0	0	0	0	113.7	R324 I328 A354 H355	R324-T357 PolarHBondContact NH2-O 2.98Å; I328-T357 WeakPolarHBondContact CD1-OG1 3.44Å; A354-T357 PolarHBondContact O-N 3.39Å; A354-T357 VanDerWaalsContact O-N 3.14Å; A354-T357 PolarHBondContact O-OG1 2.93Å; H355-T357 PolarHBondContact O-N 3.39Å; H355-T357 VanDerWaalsContact O-N 3.11Å
358	M	95	Very high	94.1	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.005	23%	0.228	C	C	.	.			trans	-95	-13.5	-173.3	-65.9	-70.2	-64.7	0	0	114.1	Q321 R324 L325 I328 A354 H355 P368 F369	Q321-M358 HydrophobicContact CB-CE 4.5Å; Q321-M358 WeakPolarHBondContact O-CE 3.21Å; R324-M358 HydrophobicContact CB-CE 4Å; R324-M358 HydrophobicContact CB-SD 4.28Å; R324-M358 HydrophobicContact CG-CE 3.95Å; R324-M358 HydrophobicContact CG-SD 3.67Å; R324-M358 PolarHBondContact NH1-O 3.48Å; L325-M358 HydrophobicContact CB-CE 4.2Å; L325-M358 HydrophobicContact CB-SD 4.36Å; L325-M358 HydrophobicContact CD1-CG 4.43Å; I328-M358 HydrophobicContact CD1-CG 4.41Å; I328-M358 HydrophobicContact CD1-SD 3.48Å; I328-M358 WeakPolarHBondContact CD1-SD 3.28Å; A354-M358 WeakPolarHBondContact O-CG 3.48Å; H355-M358 VanDerWaalsContact O-CB 3.25Å; H355-M358 WeakPolarHBondContact O-CB 3.24Å; H355-M358 PolarHBondContact O-N 3.21Å; M358-P368 HydrophobicContact CB-CB 3.9Å; M358-P368 HydrophobicContact CB-CG 4.19Å; M358-F369 HydrophobicContact CE-CE2 4.35Å; M358-F369 HydrophobicContact CE-CZ 4.1Å
359	Y	91.9	Very high	94.1	Very high	71 Å²	71	39.6 Å²	39.6	28%	0.278	22%	0.22	S	C	.	.	S	Bend	trans	-59.7	145.5	175.9	-59	-70.8	0	0	0	111.1	Y199 H355 D356 P361 P368	Y199-Y359 HydrophobicContact CE1-CE1 4.33Å; Y199-Y359 HydrophobicContact CE2-CE1 4.26Å; H355-Y359 AromaticContact CE1-CE1 3.92Å; H355-Y359 AromaticContact CE1-CZ 3.61Å; H355-Y359 PolarHBondContact CE1-OH 3.36Å; H355-Y359 VanDerWaalsContact CE1-OH 3.25Å; H355-Y359 AromaticContact ND1-CZ 3.9Å; D356-Y359 WeakPolarHBondContact O-CD2 3.37Å; Y359-P361 WeakPolarHBondContact O-CD 3.21Å; Y359-P368 HydrophobicContact CD1-CG 3.81Å; Y359-P368 HydrophobicContact CE1-CG 4.06Å
360	D	89.5	Confident	94.1	Very high	72 Å²	72	36.1 Å²	36.1	39%	0.385	20%	0.2	S	C	.	.			trans	-81.6	114.3	174.5	-173.3	-9.3	0	0	0	110	A362 S363 S366	D360-A362 PolarHBondContact O-N 3.09Å; D360-A362 WeakPolarHBondContact OD1-CB 3.38Å; D360-A362 PolarHBondContact OD1-N 3.21Å; D360-S363 PolarHBondContact O-N 3.18Å; D360-S363 VanDerWaalsContact O-N 3.14Å; D360-S366 WeakPolarHBondContact CB-OG 3.43Å; D360-S366 PolarHBondContact N-OG 2.87Å; D360-S366 VanDerWaalsContact N-OG 3.14Å
361	P	86.2	Confident	94.1	Very high	117 Å²	117	32.6 Å²	32.6	76%	0.76	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-19.3	179.6	29.6	-36.1	0	0	0	113.3	Y359 S363	Y359-P361 WeakPolarHBondContact O-CD 3.21Å; P361-S363 PolarHBondContact O-N 2.98Å
362	A	87.7	Confident	94	Very high	11 Å²	11	32.5 Å²	32.5	9%	0.091	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-6.7	176	0	0	0	0	0	112.8	D360 Q442 D447	D360-A362 PolarHBondContact O-N 3.09Å; D360-A362 WeakPolarHBondContact OD1-CB 3.38Å; D360-A362 PolarHBondContact OD1-N 3.21Å; A362-Q442 WeakPolarHBondContact O-CA 3.3Å; A362-D447 HydrophobicContact CB-CB 4.28Å
363	S	90.9	Very high	93.9	Very high	17 Å²	17	33.8 Å²	33.8	12%	0.119	19%	0.189	C	C	.	.			trans	-114.1	134.4	-176.7	-172.6	0	0	0	0	111.8	D360 P361 F365 D445	D360-S363 PolarHBondContact O-N 3.18Å; D360-S363 VanDerWaalsContact O-N 3.14Å; P361-S363 PolarHBondContact O-N 2.98Å; S363-F365 PolarHBondContact O-N 3.17Å; S363-F365 VanDerWaalsContact OG-C 3.29Å; S363-F365 PolarHBondContact OG-N 3.34Å; S363-F365 PolarHBondContact OG-O 3.02Å; S363-F365 VanDerWaalsContact OG-O 3.09Å; S363-D445 WeakPolarHBondContact CB-OD1 3.2Å; S363-D445 PolarHBondContact OG-OD1 3.39Å
364	Y	91.4	Very high	93.8	Very high	18 Å²	18	29.4 Å²	29.4	7%	0.071	17%	0.166	C	C	.	.	S	Bend	trans	-69.8	-19.7	170.2	88.2	-62.7	0	0	0	112.8	F410 L411 Q442 V443 S491	Y364-F410 HydrophobicContact CD2-CB 3.9Å; Y364-F410 HydrophobicContact CE2-CB 3.47Å; Y364-F410 VanDerWaalsContact CE2-CB 3.47Å; Y364-F410 HydrophobicContact CE2-CG 4.37Å; Y364-L411 HydrophobicContact CD2-CD2 4.17Å; Y364-L411 HydrophobicContact CE2-CD2 4.38Å; Y364-Q442 PolarHBondContact N-O 3.48Å; Y364-Q442 VanDerWaalsContact N-O 3.16Å; Y364-V443 HydrophobicContact CD1-CB 4.32Å; Y364-V443 HydrophobicContact CD1-CG2 4.09Å; Y364-V443 HydrophobicContact CD2-CG2 4.09Å; Y364-V443 HydrophobicContact CE1-CB 4.49Å; Y364-V443 HydrophobicContact CE1-CG1 4.43Å; Y364-V443 HydrophobicContact CE1-CG2 4.38Å; Y364-V443 HydrophobicContact CE2-CG2 4.36Å; Y364-V443 HydrophobicContact CG-CG2 3.93Å; Y364-S491 WeakPolarHBondContact OH-CB 3.35Å; Y364-S491 PolarHBondContact OH-OG 2.74Å
365	F	92.3	Very high	93.5	Very high	15 Å²	15	34.7 Å²	34.7	7%	0.066	19%	0.193	C	C	.	.	S	Bend	trans	-148.3	95.3	-177.1	175.8	-125.2	0	0	0	110.5	S197 W310 S363 V367 F410 F492	S197-F365 VanDerWaalsContact OG-CE2 3.3Å; S197-F365 WeakPolarHBondContact OG-CE2 3.3Å; W310-F365 HydrophobicContact CB-CD1 4.44Å; W310-F365 HydrophobicContact CB-CE1 3.95Å; W310-F365 AromaticContact CD1-CD1 3.95Å; W310-F365 AromaticContact CD1-CE1 3.51Å; W310-F365 AromaticContact CD2-CE1 3.66Å; W310-F365 HydrophobicContact CD2-CE1 3.66Å; W310-F365 HydrophobicContact CD2-CZ 4.22Å; W310-F365 AromaticContact CE2-CE1 3.9Å; W310-F365 HydrophobicContact CE3-CE1 4.32Å; W310-F365 HydrophobicContact CE3-CZ 4.45Å; W310-F365 HydrophobicContact CG-CD1 4.14Å; W310-F365 AromaticContact CG-CE1 3.44Å; W310-F365 HydrophobicContact CG-CE1 3.44Å; W310-F365 VanDerWaalsContact CG-CE1 3.44Å; W310-F365 HydrophobicContact CG-CZ 4.33Å; W310-F365 AromaticContact NE1-CE1 3.78Å; S363-F365 PolarHBondContact O-N 3.17Å; S363-F365 VanDerWaalsContact OG-C 3.29Å; S363-F365 PolarHBondContact OG-N 3.34Å; S363-F365 PolarHBondContact OG-O 3.02Å; S363-F365 VanDerWaalsContact OG-O 3.09Å; F365-V367 HydrophobicContact CE1-CG2 4.28Å; F365-V367 HydrophobicContact CE2-CG2 4.17Å; F365-V367 HydrophobicContact CZ-CG2 3.78Å; F365-F410 HydrophobicContact CB-CD1 4.28Å; F365-F410 HydrophobicContact CD1-CE1 4.48Å; F365-F410 AromaticContact CD2-CD1 3.53Å; F365-F410 HydrophobicContact CD2-CD1 3.53Å; F365-F410 AromaticContact CD2-CE1 3.6Å; F365-F410 HydrophobicContact CD2-CE1 3.6Å; F365-F410 HydrophobicContact CE1-CE1 4.36Å; F365-F410 AromaticContact CE2-CD1 3.97Å; F365-F410 HydrophobicContact CE2-CD1 3.97Å; F365-F410 AromaticContact CE2-CE1 3.51Å; F365-F410 HydrophobicContact CE2-CE1 3.51Å; F365-F410 HydrophobicContact CE2-CZ 4.48Å; F365-F410 AromaticContact CG-CD1 3.85Å; F365-F410 HydrophobicContact CG-CD1 3.85Å; F365-F410 HydrophobicContact CG-CE1 4.11Å; F365-F410 AromaticContact CZ-CE1 3.92Å; F365-F410 HydrophobicContact CZ-CE1 3.92Å; F365-F410 HydrophobicContact CZ-CZ 4.5Å; F365-F492 HydrophobicContact CD1-CZ 4.33Å; F365-F492 HydrophobicContact CE1-CZ 4.01Å
366	S	92.4	Very high	93.5	Very high	23 Å²	23	37.2 Å²	37.2	16%	0.161	21%	0.207	C	C	.	.			trans	-106.8	133.2	-177.8	-172.7	0	0	0	0	111.5	D360	D360-S366 WeakPolarHBondContact CB-OG 3.43Å; D360-S366 PolarHBondContact N-OG 2.87Å; D360-S366 VanDerWaalsContact N-OG 3.14Å
367	V	96.3	Very high	93.7	Very high	19 Å²	19	33.1 Å²	33.1	12%	0.115	19%	0.185	C	C	.	.			trans	-112.7	101.3	170.3	179.9	0	0	0	0	107.9	S197 F198 W310 F365 F369 P370	S197-V367 WeakPolarHBondContact O-CG1 3.36Å; F198-V367 HydrophobicContact CB-CG1 4.5Å; F198-V367 HydrophobicContact CD2-CG1 4.41Å; W310-V367 HydrophobicContact CB-CG2 4Å; W310-V367 HydrophobicContact CE3-CG2 4.35Å; F365-V367 HydrophobicContact CE1-CG2 4.28Å; F365-V367 HydrophobicContact CE2-CG2 4.17Å; F365-V367 HydrophobicContact CZ-CG2 3.78Å; V367-F369 VanDerWaalsContact C-N 3.32Å; V367-F369 PolarHBondContact O-N 2.83Å; V367-P370 HydrophobicContact CB-CB 4.48Å; V367-P370 HydrophobicContact CG1-CB 3.8Å; V367-P370 HydrophobicContact CG1-CG 4.48Å; V367-P370 WeakPolarHBondContact O-CD 3.28Å
368	P	96.1	Very high	93.8	Very high	3 Å²	3	29.5 Å²	29.5	2%	0.019	16%	0.163	C	C	.	.	S	Bend	trans	-67.5	-29.8	-172.8	-25.9	35.9	0	0	0	114.7	Q321 M358 Y359	Q321-P368 PolarHBondContact NE2-O 3.33Å; Q321-P368 VanDerWaalsContact NE2-O 3.14Å; M358-P368 HydrophobicContact CB-CB 3.9Å; M358-P368 HydrophobicContact CB-CG 4.19Å; Y359-P368 HydrophobicContact CD1-CG 3.81Å; Y359-P368 HydrophobicContact CE1-CG 4.06Å
369	F	97.8	Very high	93.8	Very high	8 Å²	8	30.8 Å²	30.8	4%	0.035	17%	0.172	C	C	.	.	S	Bend	trans	-132.1	70.5	-178.4	-65.9	-82.7	0	0	0	111.1	F233 Q321 L325 M358 V367	F233-F369 HydrophobicContact CB-CB 3.96Å; F233-F369 WeakPolarHBondContact CB-O 3.34Å; Q321-F369 HydrophobicContact CB-CE1 4.39Å; L325-F369 HydrophobicContact CB-CZ 3.96Å; L325-F369 HydrophobicContact CD2-CE1 4.38Å; L325-F369 HydrophobicContact CD2-CE2 4.36Å; L325-F369 HydrophobicContact CD2-CZ 3.69Å; L325-F369 HydrophobicContact CG-CZ 4.27Å; M358-F369 HydrophobicContact CE-CE2 4.35Å; M358-F369 HydrophobicContact CE-CZ 4.1Å; V367-F369 VanDerWaalsContact C-N 3.32Å; V367-F369 PolarHBondContact O-N 2.83Å
370	P	97.9	Very high	93.8	Very high	15 Å²	15	27.9 Å²	27.9	10%	0.097	16%	0.16	C	C	.	.			trans	-76.8	168.3	173.4	35.7	-33.9	0	0	0	109.8	W310 A313 V367	W310-P370 WeakPolarHBondContact O-CB 3.21Å; A313-P370 HydrophobicContact CB-CG 3.65Å; V367-P370 HydrophobicContact CB-CB 4.48Å; V367-P370 HydrophobicContact CG1-CB 3.8Å; V367-P370 HydrophobicContact CG1-CG 4.48Å; V367-P370 WeakPolarHBondContact O-CD 3.28Å
371	P	98.5	Very high	93.6	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	17%	0.166	C	C	.	.			trans	-55.3	148	169.7	-17.4	25.5	0	0	0	112.3	F198 F233 N244 L247 G311 L312 A313 F378	F198-P371 HydrophobicContact CD1-CG 4.05Å; F198-P371 HydrophobicContact CD2-CG 4.28Å; F198-P371 HydrophobicContact CE1-CG 3.51Å; F198-P371 HydrophobicContact CE2-CG 3.79Å; F198-P371 HydrophobicContact CG-CG 4.38Å; F198-P371 HydrophobicContact CZ-CG 3.36Å; F233-P371 HydrophobicContact CD1-CB 4.25Å; F233-P371 HydrophobicContact CD1-CG 4.2Å; F233-P371 HydrophobicContact CE1-CB 4.08Å; F233-P371 HydrophobicContact CE1-CG 3.74Å; F233-P371 HydrophobicContact CZ-CG 4.46Å; N244-P371 VanDerWaalsContact OD1-CA 3.3Å; N244-P371 WeakPolarHBondContact OD1-CA 3.45Å; N244-P371 WeakPolarHBondContact OD1-CB 3.39Å; L247-P371 HydrophobicContact CD1-CB 3.95Å; L247-P371 HydrophobicContact CD1-CG 4.48Å; G311-P371 WeakPolarHBondContact O-CD 3.14Å; L312-P371 CarbonylContact C-O 3.48Å; L312-P371 WeakPolarHBondContact CA-O 3.49Å; L312-P371 HydrophobicContact CD2-CB 3.91Å; A313-P371 PolarHBondContact N-O 2.97Å; P371-F378 HydrophobicContact CB-CE2 4.49Å
372	V	97.7	Very high	93.6	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	138.1	-171.6	54	0	0	0	0	111.3	Y235 N244 A313 S318 D374 F378	Y235-V372 HydrophobicContact CD1-CG2 4.09Å; Y235-V372 HydrophobicContact CD2-CG1 3.98Å; Y235-V372 HydrophobicContact CD2-CG2 4.41Å; Y235-V372 HydrophobicContact CE1-CG2 4.28Å; Y235-V372 HydrophobicContact CG-CG1 4.15Å; Y235-V372 HydrophobicContact CG-CG2 4.16Å; N244-V372 PolarHBondContact ND2-O 3.24Å; N244-V372 PolarHBondContact OD1-N 2.9Å; A313-V372 WeakPolarHBondContact O-CA 3.41Å; S318-V372 WeakPolarHBondContact OG-CB 3.23Å; S318-V372 WeakPolarHBondContact OG-CG2 3.4Å; V372-D374 VanDerWaalsContact C-N 3.33Å; V372-D374 HydrophobicContact CG1-CB 4.06Å; V372-D374 PolarHBondContact O-N 3.08Å; V372-F378 WeakPolarHBondContact O-CD2 3.13Å; V372-F378 WeakPolarHBondContact O-CE2 3.27Å
373	L	95.1	Very high	93.4	Very high	48 Å²	48	31.6 Å²	31.6	25%	0.251	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	90.7	163.9	-67.5	175.9	0	0	0	109	L312 A313 S315 F378 F386	L312-L373 HydrophobicContact CD1-CD2 4.07Å; A313-L373 PolarHBondContact O-N 2.97Å; S315-L373 PolarHBondContact OG-O 3.29Å; L373-F378 HydrophobicContact CD2-CB 4.11Å; L373-F378 HydrophobicContact CD2-CD1 4.38Å; L373-F378 HydrophobicContact CD2-CD2 4.49Å; L373-F378 HydrophobicContact CD2-CG 4.09Å; L373-F386 HydrophobicContact CD2-CD2 4.12Å; L373-F386 HydrophobicContact CD2-CE2 3.88Å; L373-F386 HydrophobicContact CD2-CZ 4.48Å
374	D	94.3	Very high	93.1	Very high	8 Å²	8	36 Å²	36	4%	0.043	19%	0.194	C	C	.	.			trans	-100.1	0.5	-167.4	62.5	-1.8	0	0	0	114.9	Y235 N244 V372 N376 F377 F378	Y235-D374 HydrophobicContact CE2-CB 4.12Å; N244-D374 PolarHBondContact ND2-OD2 2.74Å; V372-D374 VanDerWaalsContact C-N 3.33Å; V372-D374 HydrophobicContact CG1-CB 4.06Å; V372-D374 PolarHBondContact O-N 3.08Å; D374-N376 HydrophobicContact CB-CB 4.46Å; D374-N376 PolarHBondContact O-N 3.3Å; D374-N376 WeakPolarHBondContact OD1-CA 3.19Å; D374-N376 PolarHBondContact OD1-N 2.88Å; D374-F377 PolarHBondContact OD1-N 3.48Å; D374-F377 WeakPolarHBondContact OD2-CB 3.14Å; D374-F377 PolarHBondContact OD2-N 3.25Å; D374-F377 VanDerWaalsContact OD2-N 3.11Å; D374-F378 PolarHBondContact OD1-N 3.12Å
375	N	91.9	Very high	92.9	Very high	116 Å²	116	35.5 Å²	35.5	62%	0.62	19%	0.192	S	C	*	.	S	Bend	trans	55.1	19.3	-170.8	-57.8	-28.9	0	0	0	113.8	F378 Y380	N375-F378 CarbonylContact C-O 3.54Å; N375-F378 WeakPolarHBondContact CA-O 3.46Å; N375-F378 PolarHBondContact N-O 3.16Å; N375-Y380 PolarHBondContact OD1-O 3.47Å
376	N	94.1	Very high	92.6	Very high	57 Å²	57	36.3 Å²	36.3	31%	0.305	20%	0.196	S	C	.	.	S	Bend	trans	-127.4	-78.9	-177.4	-174.2	-7	0	0	0	110.3	K116 W291 D374 F378	K116-N376 PolarHBondContact NZ-ND2 3.02Å; W291-N376 PolarHBondContact NE1-O 2.78Å; D374-N376 HydrophobicContact CB-CB 4.46Å; D374-N376 PolarHBondContact O-N 3.3Å; D374-N376 WeakPolarHBondContact OD1-CA 3.19Å; D374-N376 PolarHBondContact OD1-N 2.88Å; N376-F378 PolarHBondContact O-N 3.27Å
377	F	97	Very high	92.1	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.221	C	C	.	.	S	Bend	trans	-61	-35.1	170.9	-169.8	-85.1	0	0	0	110.6	N244 L247 W248 H286 S289 D374 P379	N244-F377 HydrophobicContact CB-CB 4.3Å; L247-F377 HydrophobicContact CB-CD1 4.45Å; L247-F377 HydrophobicContact CB-CD2 4.17Å; L247-F377 HydrophobicContact CB-CE1 4.09Å; L247-F377 HydrophobicContact CB-CE2 3.76Å; L247-F377 HydrophobicContact CB-CG 4.49Å; L247-F377 HydrophobicContact CB-CZ 3.71Å; L247-F377 HydrophobicContact CD1-CD1 3.73Å; L247-F377 HydrophobicContact CD1-CE1 3.62Å; L247-F377 HydrophobicContact CD1-CG 4.35Å; L247-F377 HydrophobicContact CD1-CZ 4.12Å; L247-F377 HydrophobicContact CG-CE1 4.47Å; W248-F377 AromaticContact CD2-CD2 3.81Å; W248-F377 HydrophobicContact CD2-CD2 3.81Å; W248-F377 HydrophobicContact CD2-CE2 4.38Å; W248-F377 AromaticContact CE2-CD2 3.57Å; W248-F377 HydrophobicContact CE3-CD2 4.09Å; W248-F377 HydrophobicContact CE3-CE2 4.39Å; W248-F377 HydrophobicContact CG-CD2 4.39Å; W248-F377 AromaticContact CH2-CD2 3.93Å; W248-F377 HydrophobicContact CH2-CD2 3.93Å; W248-F377 HydrophobicContact CZ2-CB 3.82Å; W248-F377 AromaticContact CZ2-CD2 3.65Å; W248-F377 HydrophobicContact CZ2-CD2 3.65Å; W248-F377 HydrophobicContact CZ2-CG 4.22Å; W248-F377 HydrophobicContact CZ3-CD2 4.15Å; H286-F377 AromaticContact CE1-CZ 3.67Å; H286-F377 AromaticContact ND1-CZ 3.54Å; S289-F377 WeakPolarHBondContact CB-O 3.36Å; S289-F377 PolarHBondContact OG-O 2.73Å; D374-F377 PolarHBondContact OD1-N 3.48Å; D374-F377 WeakPolarHBondContact OD2-CB 3.14Å; D374-F377 PolarHBondContact OD2-N 3.25Å; D374-F377 VanDerWaalsContact OD2-N 3.11Å; F377-P379 WeakPolarHBondContact O-CD 3.43Å
378	F	95.9	Very high	91.6	Very high	1 Å²	1	47.7 Å²	47.7	0%	0.004	24%	0.238	C	C	.	.	S	Bend	trans	-105	86.9	170	-65	-78.9	0	0	0	109.3	L247 T285 V288 L312 P371 V372 L373 D374 N375 N376 Y380	L247-F378 HydrophobicContact CD1-CE2 3.88Å; L247-F378 HydrophobicContact CD1-CZ 3.95Å; T285-F378 HydrophobicContact CG2-CE1 4.15Å; T285-F378 HydrophobicContact CG2-CZ 3.65Å; V288-F378 HydrophobicContact CG2-CD1 4.46Å; V288-F378 HydrophobicContact CG2-CE1 4.18Å; L312-F378 HydrophobicContact CD2-CE1 4.2Å; L312-F378 HydrophobicContact CD2-CE2 3.88Å; L312-F378 HydrophobicContact CD2-CZ 3.55Å; P371-F378 HydrophobicContact CB-CE2 4.49Å; V372-F378 WeakPolarHBondContact O-CD2 3.13Å; V372-F378 WeakPolarHBondContact O-CE2 3.27Å; L373-F378 HydrophobicContact CD2-CB 4.11Å; L373-F378 HydrophobicContact CD2-CD1 4.38Å; L373-F378 HydrophobicContact CD2-CD2 4.49Å; L373-F378 HydrophobicContact CD2-CG 4.09Å; D374-F378 PolarHBondContact OD1-N 3.12Å; N375-F378 CarbonylContact C-O 3.54Å; N375-F378 WeakPolarHBondContact CA-O 3.46Å; N375-F378 PolarHBondContact N-O 3.16Å; N376-F378 PolarHBondContact O-N 3.27Å; F378-Y380 HydrophobicContact CB-CD2 3.91Å; F378-Y380 HydrophobicContact CB-CE2 4.43Å; F378-Y380 HydrophobicContact CD1-CD2 4.49Å; F378-Y380 HydrophobicContact CD1-CE2 4.25Å; F378-Y380 PolarHBondContact O-N 3.28Å
379	P	94.5	Very high	91.3	Very high	28 Å²	28	47.8 Å²	47.8	18%	0.182	24%	0.238	C	C	.	.			trans	-77.4	42.1	-173.6	33.5	-37.8	0	0	0	113.1	P290 F377 Y391	P290-P379 HydrophobicContact CG-CG 3.77Å; F377-P379 WeakPolarHBondContact O-CD 3.43Å; P379-Y391 HydrophobicContact CB-CE2 4.33Å; P379-Y391 HydrophobicContact CG-CD2 3.96Å; P379-Y391 HydrophobicContact CG-CE1 4.45Å; P379-Y391 HydrophobicContact CG-CE2 3.87Å; P379-Y391 HydrophobicContact CG-CG 4.3Å; P379-Y391 WeakPolarHBondContact O-CE2 3.42Å; P379-Y391 PolarHBondContact O-OH 3.09Å
380	Y	91.6	Very high	90.8	Very high	9 Å²	9	50.8 Å²	50.8	4%	0.035	25%	0.251	C	S	.	.			trans	-87.4	124.8	-178.7	-70.5	-82.4	0	0	0	110.6	V288 N375 F378 N382 S385 F386 K390 Y391	V288-Y380 WeakPolarHBondContact CB-OH 3.37Å; V288-Y380 PolarHBondContact O-OH 2.66Å; N375-Y380 PolarHBondContact OD1-O 3.47Å; F378-Y380 HydrophobicContact CB-CD2 3.91Å; F378-Y380 HydrophobicContact CB-CE2 4.43Å; F378-Y380 HydrophobicContact CD1-CD2 4.49Å; F378-Y380 HydrophobicContact CD1-CE2 4.25Å; F378-Y380 PolarHBondContact O-N 3.28Å; Y380-N382 VanDerWaalsContact C-N 3.34Å; Y380-S385 VanDerWaalsContact CD1-C 3.44Å; Y380-S385 WeakPolarHBondContact CD1-O 3.43Å; Y380-S385 WeakPolarHBondContact CE1-O 3.37Å; Y380-F386 HydrophobicContact CD1-CB 3.87Å; Y380-F386 HydrophobicContact CD1-CD2 4.19Å; Y380-F386 VanDerWaalsContact CD1-N 3.34Å; Y380-F386 AromaticContact CD2-CD2 3.8Å; Y380-F386 HydrophobicContact CD2-CD2 3.8Å; Y380-F386 HydrophobicContact CE1-CB 4.32Å; Y380-F386 HydrophobicContact CE1-CD2 4.21Å; Y380-F386 AromaticContact CE2-CD2 3.87Å; Y380-F386 HydrophobicContact CE2-CD2 3.87Å; Y380-F386 HydrophobicContact CE2-CE2 4.37Å; Y380-F386 HydrophobicContact CG-CB 4.07Å; Y380-F386 AromaticContact CG-CD2 3.96Å; Y380-F386 HydrophobicContact CG-CD2 3.96Å; Y380-K390 HydrophobicContact CE1-CB 4.09Å; Y380-Y391 HydrophobicContact CD1-CD2 4Å; Y380-Y391 HydrophobicContact CD1-CE2 4.24Å; Y380-Y391 HydrophobicContact CD2-CD2 4.48Å; Y380-Y391 AromaticContact CE1-CD2 3.72Å; Y380-Y391 HydrophobicContact CE1-CD2 3.72Å; Y380-Y391 HydrophobicContact CE1-CE2 4.38Å; Y380-Y391 HydrophobicContact CE2-CD2 4.2Å; Y380-Y391 HydrophobicContact CG-CD2 4.4Å; Y380-Y391 AromaticContact CZ-CD2 3.82Å
381	E	85.9	Confident	90.6	Very high	110 Å²	110	52.7 Å²	52.7	51%	0.514	26%	0.256	S	S	.	.	S	Bend	trans	-80.2	-21.3	-175	-54.8	86.3	171.8	0	0	112.8	S385 K390 Y391	E381-S385 PolarHBondContact N-OG 2.89Å; E381-K390 IonicContact OE1-NZ 3.04Å; E381-K390 PolarHBondContact OE1-NZ 3.35Å; E381-K390 IonicContact OE2-NZ 2.71Å; E381-K390 PolarHBondContact OE2-NZ 2.79Å; E381-Y391 PolarHBondContact OE1-OH 2.61Å
382	N	86.7	Confident	90.3	Very high	89 Å²	89	53 Å²	53	48%	0.476	26%	0.258	S	S	.	.	S	Bend	trans	-164.2	168.7	-179.6	55.2	58.3	0	0	0	111.4	Y380 Q384 S385 F386	Y380-N382 VanDerWaalsContact C-N 3.34Å; N382-Q384 PolarHBondContact O-N 2.98Å; N382-Q384 WeakPolarHBondContact OD1-CA 3.3Å; N382-Q384 WeakPolarHBondContact OD1-CB 3.47Å; N382-Q384 PolarHBondContact OD1-N 3.18Å; N382-Q384 VanDerWaalsContact OD1-N 3.1Å; N382-S385 PolarHBondContact N-OG 3.3Å; N382-S385 PolarHBondContact O-N 3.47Å; N382-S385 PolarHBondContact O-OG 3.29Å; N382-S385 PolarHBondContact OD1-N 3.01Å; N382-F386 PolarHBondContact O-N 3.36Å
383	S	83.9	Confident	90.1	Very high	80 Å²	80	53.5 Å²	53.5	56%	0.559	26%	0.26	S	S	*	.	H	α-helix	trans	-59.3	-28.1	178.7	61.7	0	0	0	0	114	F386 R387	S383-F386 PolarHBondContact O-N 2.72Å; S383-R387 WeakPolarHBondContact O-CB 3.21Å; S383-R387 VanDerWaalsContact O-CG 3.28Å; S383-R387 WeakPolarHBondContact O-CG 3.41Å; S383-R387 PolarHBondContact O-N 3.42Å
384	Q	83.9	Confident	89.9	Confident	110 Å²	110	55.9 Å²	55.9	51%	0.514	28%	0.278	S	S	.	.	H	α-helix	trans	-68.8	-47.3	176.9	-65.3	-64.7	-28.9	0	0	111.3	N382 F386 R387 Q388	N382-Q384 PolarHBondContact O-N 2.98Å; N382-Q384 WeakPolarHBondContact OD1-CA 3.3Å; N382-Q384 WeakPolarHBondContact OD1-CB 3.47Å; N382-Q384 PolarHBondContact OD1-N 3.18Å; N382-Q384 VanDerWaalsContact OD1-N 3.1Å; Q384-F386 PolarHBondContact O-N 2.91Å; Q384-R387 PolarHBondContact O-N 3.34Å; Q384-Q388 WeakPolarHBondContact O-CB 3.5Å; Q384-Q388 VanDerWaalsContact O-CG 3.27Å; Q384-Q388 WeakPolarHBondContact O-CG 3.45Å; Q384-Q388 PolarHBondContact O-N 3.47Å
385	S	86.3	Confident	89.9	Confident	6 Å²	6	58.4 Å²	58.4	4%	0.042	30%	0.297	C	S	.	.	H	α-helix	trans	-59.4	-36	176.5	70.3	0	0	0	0	111.9	Y380 E381 N382 L389 K390	Y380-S385 VanDerWaalsContact CD1-C 3.44Å; Y380-S385 WeakPolarHBondContact CD1-O 3.43Å; Y380-S385 WeakPolarHBondContact CE1-O 3.37Å; E381-S385 PolarHBondContact N-OG 2.89Å; N382-S385 PolarHBondContact N-OG 3.3Å; N382-S385 PolarHBondContact O-N 3.47Å; N382-S385 PolarHBondContact O-OG 3.29Å; N382-S385 PolarHBondContact OD1-N 3.01Å; S385-L389 PolarHBondContact O-N 3.33Å; S385-K390 WeakPolarHBondContact O-CB 3.25Å; S385-K390 PolarHBondContact O-N 2.85Å; S385-K390 VanDerWaalsContact O-N 3.1Å
386	F	86.6	Confident	90.1	Very high	32 Å²	32	53.9 Å²	53.9	14%	0.14	28%	0.277	C	S	.	.	H	α-helix	trans	-68.1	-49.8	175.3	-175.8	-99.4	0	0	0	112	I306 L312 L373 Y380 N382 S383 Q384 Q388 L389	I306-F386 HydrophobicContact CD1-CE2 4.15Å; I306-F386 HydrophobicContact CD1-CZ 3.77Å; L312-F386 HydrophobicContact CD1-CE2 3.94Å; L312-F386 HydrophobicContact CD1-CZ 3.55Å; L373-F386 HydrophobicContact CD2-CD2 4.12Å; L373-F386 HydrophobicContact CD2-CE2 3.88Å; L373-F386 HydrophobicContact CD2-CZ 4.48Å; Y380-F386 HydrophobicContact CD1-CB 3.87Å; Y380-F386 HydrophobicContact CD1-CD2 4.19Å; Y380-F386 VanDerWaalsContact CD1-N 3.34Å; Y380-F386 AromaticContact CD2-CD2 3.8Å; Y380-F386 HydrophobicContact CD2-CD2 3.8Å; Y380-F386 HydrophobicContact CE1-CB 4.32Å; Y380-F386 HydrophobicContact CE1-CD2 4.21Å; Y380-F386 AromaticContact CE2-CD2 3.87Å; Y380-F386 HydrophobicContact CE2-CD2 3.87Å; Y380-F386 HydrophobicContact CE2-CE2 4.37Å; Y380-F386 HydrophobicContact CG-CB 4.07Å; Y380-F386 AromaticContact CG-CD2 3.96Å; Y380-F386 HydrophobicContact CG-CD2 3.96Å; N382-F386 PolarHBondContact O-N 3.36Å; S383-F386 PolarHBondContact O-N 2.72Å; Q384-F386 PolarHBondContact O-N 2.91Å; F386-Q388 PolarHBondContact O-N 2.97Å; F386-L389 PolarHBondContact O-N 3.01Å
387	R	83.1	Confident	90.3	Very high	183 Å²	183	51.2 Å²	51.2	69%	0.691	26%	0.264	S	S	*	.	H	α-helix	trans	-59.5	-31.3	176.5	-74.7	175.6	-178.3	-141.3	0.6	113.1	S383 Q384 L389	S383-R387 WeakPolarHBondContact O-CB 3.21Å; S383-R387 VanDerWaalsContact O-CG 3.28Å; S383-R387 WeakPolarHBondContact O-CG 3.41Å; S383-R387 PolarHBondContact O-N 3.42Å; Q384-R387 PolarHBondContact O-N 3.34Å; R387-L389 PolarHBondContact O-N 3.08Å
388	Q	84.3	Confident	90.4	Very high	99 Å²	99	51.4 Å²	51.4	46%	0.463	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-3.8	176.2	-70.7	173.2	-4.4	0	0	113.4	Q384 F386 K390	Q384-Q388 WeakPolarHBondContact O-CB 3.5Å; Q384-Q388 VanDerWaalsContact O-CG 3.27Å; Q384-Q388 WeakPolarHBondContact O-CG 3.45Å; Q384-Q388 PolarHBondContact O-N 3.47Å; F386-Q388 PolarHBondContact O-N 2.97Å; Q388-K390 PolarHBondContact O-N 2.93Å
389	L	89.7	Confident	90.5	Very high	4 Å²	4	51.4 Å²	51.4	2%	0.021	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	48.7	49.1	-173.7	-55.6	176.9	0	0	0	111	V288 I306 F307 S385 F386 R387 Y391 L392 M499 A502 V503 R514	V288-L389 HydrophobicContact CG1-CD2 4Å; I306-L389 HydrophobicContact CD1-CD2 4.09Å; F307-L389 HydrophobicContact CE1-CD2 4.19Å; F307-L389 HydrophobicContact CZ-CD2 4.35Å; S385-L389 PolarHBondContact O-N 3.33Å; F386-L389 PolarHBondContact O-N 3.01Å; R387-L389 PolarHBondContact O-N 3.08Å; L389-Y391 PolarHBondContact O-N 3.34Å; L389-Y391 VanDerWaalsContact O-N 3.1Å; L389-L392 HydrophobicContact CB-CB 3.95Å; L389-L392 HydrophobicContact CD1-CD2 4.5Å; L389-L392 VanDerWaalsContact O-CB 3.27Å; L389-L392 WeakPolarHBondContact O-CB 3.35Å; L389-L392 PolarHBondContact O-N 2.73Å; L389-M499 HydrophobicContact CD1-CE 3.81Å; L389-M499 HydrophobicContact CD1-SD 3.95Å; L389-M499 HydrophobicContact CD2-CE 3.92Å; L389-M499 HydrophobicContact CD2-SD 4.16Å; L389-A502 HydrophobicContact CD1-CB 4.16Å; L389-V503 HydrophobicContact CD1-CG2 4Å; L389-R514 PolarHBondContact O-NH2 3.4Å; L389-R514 VanDerWaalsContact O-NH2 3.16Å
390	K	89	Confident	90.7	Very high	71 Å²	71	50 Å²	50	31%	0.309	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.4	-38.8	-173.9	175.7	176.9	169.2	-175.9	0	113	Y380 E381 S385 Q388	Y380-K390 HydrophobicContact CE1-CB 4.09Å; E381-K390 IonicContact OE1-NZ 3.04Å; E381-K390 PolarHBondContact OE1-NZ 3.35Å; E381-K390 IonicContact OE2-NZ 2.71Å; E381-K390 PolarHBondContact OE2-NZ 2.79Å; S385-K390 WeakPolarHBondContact O-CB 3.25Å; S385-K390 PolarHBondContact O-N 2.85Å; S385-K390 VanDerWaalsContact O-N 3.1Å; Q388-K390 PolarHBondContact O-N 2.93Å
391	Y	92.2	Very high	91	Very high	55 Å²	55	49.6 Å²	49.6	22%	0.216	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.9	25.1	-179.4	-55.2	-77.7	0	0	0	113.3	V288 P290 H293 P379 Y380 E381 L389 K393	V288-Y391 CarbonylContact C-O 3.51Å; V288-Y391 WeakPolarHBondContact O-CB 3.02Å; P290-Y391 HydrophobicContact CB-CD1 4.38Å; P290-Y391 HydrophobicContact CG-CD1 4.01Å; P290-Y391 HydrophobicContact CG-CG 4.28Å; H293-Y391 PolarHBondContact CE1-O 3.49Å; H293-Y391 PolarHBondContact NE2-O 3.13Å; P379-Y391 HydrophobicContact CB-CE2 4.33Å; P379-Y391 HydrophobicContact CG-CD2 3.96Å; P379-Y391 HydrophobicContact CG-CE1 4.45Å; P379-Y391 HydrophobicContact CG-CE2 3.87Å; P379-Y391 HydrophobicContact CG-CG 4.3Å; P379-Y391 WeakPolarHBondContact O-CE2 3.42Å; P379-Y391 PolarHBondContact O-OH 3.09Å; Y380-Y391 HydrophobicContact CD1-CD2 4Å; Y380-Y391 HydrophobicContact CD1-CE2 4.24Å; Y380-Y391 HydrophobicContact CD2-CD2 4.48Å; Y380-Y391 AromaticContact CE1-CD2 3.72Å; Y380-Y391 HydrophobicContact CE1-CD2 3.72Å; Y380-Y391 HydrophobicContact CE1-CE2 4.38Å; Y380-Y391 HydrophobicContact CE2-CD2 4.2Å; Y380-Y391 HydrophobicContact CG-CD2 4.4Å; Y380-Y391 AromaticContact CZ-CD2 3.82Å; E381-Y391 PolarHBondContact OE1-OH 2.61Å; L389-Y391 PolarHBondContact O-N 3.34Å; L389-Y391 VanDerWaalsContact O-N 3.1Å; Y391-K393 PolarHBondContact O-N 2.76Å
392	L	92.9	Very high	91.6	Very high	7 Å²	7	44.4 Å²	44.4	4%	0.037	23%	0.23	C	C	.	.			trans	-59.2	135.4	168.7	172.6	70	0	0	0	110.2	V287 L389 V503 L518	V287-L392 HydrophobicContact CG1-CD1 3.26Å; V287-L392 WeakPolarHBondContact O-CA 3.45Å; L389-L392 HydrophobicContact CB-CB 3.95Å; L389-L392 HydrophobicContact CD1-CD2 4.5Å; L389-L392 VanDerWaalsContact O-CB 3.27Å; L389-L392 WeakPolarHBondContact O-CB 3.35Å; L389-L392 PolarHBondContact O-N 2.73Å; L392-V503 HydrophobicContact CD1-CG2 4.24Å; L392-V503 HydrophobicContact CD2-CB 4.36Å; L392-V503 HydrophobicContact CD2-CG1 3.86Å; L392-V503 HydrophobicContact CD2-CG2 4.13Å; L392-L518 HydrophobicContact CD1-CD1 4.24Å; L392-L518 HydrophobicContact CD2-CD1 4.18Å; L392-L518 HydrophobicContact CG-CD1 4.17Å
393	K	93.4	Very high	92.2	Very high	11 Å²	11	40.2 Å²	40.2	5%	0.048	21%	0.207	C	C	.	.			trans	-47.2	132.1	178.6	-170.7	173.7	162.6	57.5	0	111.6	V287 H293 Y296 N297 Y391 S395	V287-K393 PolarHBondContact O-N 2.82Å; H293-K393 HydrophobicContact CB-CG 4.38Å; H293-K393 WeakPolarHBondContact CE1-CA 3.38Å; H293-K393 PolarHBondContact CE1-N 2.64Å; H293-K393 WeakPolarHBondContact NE2-CA 3.5Å; H293-K393 PolarHBondContact NE2-N 2.64Å; H293-K393 PolarHBondContact O-NZ 3.3Å; Y296-K393 HydrophobicContact CD2-CD 4.46Å; Y296-K393 HydrophobicContact CE1-CD 4.34Å; Y296-K393 HydrophobicContact CE2-CD 3.69Å; Y296-K393 VanDerWaalsContact O-CE 3.3Å; Y296-K393 WeakPolarHBondContact O-CE 3.49Å; Y296-K393 PolarHBondContact O-NZ 2.95Å; N297-K393 WeakPolarHBondContact O-CE 3.31Å; Y391-K393 PolarHBondContact O-N 2.76Å; K393-S395 WeakPolarHBondContact CE-O 3.4Å; K393-S395 WeakPolarHBondContact CG-O 3.35Å; K393-S395 PolarHBondContact O-N 2.9Å
394	P	92	Very high	92.9	Very high	97 Å²	97	40.9 Å²	40.9	63%	0.63	20%	0.2	S	C	*	.	S	Bend	trans	-81.3	-11.1	-172.1	31.3	-36.9	0	0	0	114.7
395	S	93.6	Very high	93.5	Very high	62 Å²	62	36.6 Å²	36.6	43%	0.434	18%	0.181	S	C	.	.	S	Bend	trans	-149.8	169.4	-175.2	64	0	0	0	0	112	K393	K393-S395 WeakPolarHBondContact CE-O 3.4Å; K393-S395 WeakPolarHBondContact CG-O 3.35Å; K393-S395 PolarHBondContact O-N 2.9Å
396	G	95.8	Very high	94.1	Very high	20 Å²	20	36.3 Å²	36.3	21%	0.206	18%	0.179	C	C	.	.	S	Bend	trans	95.3	-170	-174.6	0	0	0	0	0	112.2	N297 L518 P519	N297-G396 WeakPolarHBondContact O-CA 3.35Å; G396-L518 VanDerWaalsContact O-CD2 3.31Å; G396-L518 WeakPolarHBondContact O-CD2 3.25Å; G396-P519 WeakPolarHBondContact O-CD 3.46Å
397	A	97.8	Very high	94.6	Very high	2 Å²	2	34.8 Å²	34.8	2%	0.017	17%	0.172	C	C	.	.			trans	-126.1	155.9	176.7	0	0	0	0	0	111.1	N298 A299 P519 F583 G587	N298-A397 WeakPolarHBondContact CA-O 3.18Å; N298-A397 PolarHBondContact OD1-N 2.79Å; A299-A397 PolarHBondContact N-O 2.84Å; A397-P519 WeakPolarHBondContact CA-O 3.4Å; A397-P519 HydrophobicContact CB-CB 4.08Å; A397-P519 HydrophobicContact CB-CG 4.4Å; A397-F583 HydrophobicContact CB-CE2 3.58Å; A397-F583 HydrophobicContact CB-CZ 3.9Å; A397-F583 WeakPolarHBondContact O-CZ 3.46Å; A397-G587 WeakPolarHBondContact CB-O 3.02Å
398	L	98.6	Very high	95.2	Very high	4 Å²	4	26.1 Å²	26.1	2%	0.021	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	142.1	176.4	-55.7	-175.6	0	0	0	111.3	V287 A299 M301 F400 V503 L518 P519 V520 Y521	V287-L398 HydrophobicContact CG1-CD1 4.17Å; V287-L398 HydrophobicContact CG1-CD2 4.15Å; V287-L398 HydrophobicContact CG2-CD2 3.96Å; A299-L398 HydrophobicContact CB-CD2 3.81Å; A299-L398 CarbonylContact O-C 3.57Å; A299-L398 VanDerWaalsContact O-CA 3.3Å; A299-L398 WeakPolarHBondContact O-CA 3.32Å; M301-L398 HydrophobicContact CE-CB 4.21Å; M301-L398 HydrophobicContact CE-CD1 4.21Å; M301-L398 HydrophobicContact CE-CD2 4.34Å; L398-F400 HydrophobicContact CB-CD2 4.39Å; L398-F400 HydrophobicContact CB-CE2 3.79Å; L398-F400 HydrophobicContact CD1-CE2 4Å; L398-F400 HydrophobicContact CD1-CZ 4.16Å; L398-V503 HydrophobicContact CD1-CB 4.32Å; L398-V503 HydrophobicContact CD1-CG1 3.71Å; L398-V503 HydrophobicContact CD1-CG2 4.01Å; L398-L518 HydrophobicContact CD1-CD1 4.08Å; L398-L518 HydrophobicContact CG-CD1 4.16Å; L398-P519 PolarHBondContact N-O 2.93Å; L398-V520 HydrophobicContact CB-CG2 4.33Å; L398-V520 CarbonylContact O-C 3.56Å; L398-V520 VanDerWaalsContact O-CA 3.25Å; L398-V520 WeakPolarHBondContact O-CA 3.4Å; L398-Y521 PolarHBondContact O-N 3.14Å
399	M	98.8	Very high	95.7	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	139.6	168.6	-176.3	-174	-67.8	0	0	108.9	A299 I300 M301 Y521 Y523 W580 F583 P589 W632	A299-M399 PolarHBondContact O-N 3.04Å; I300-M399 CarbonylContact C-O 3.55Å; I300-M399 WeakPolarHBondContact CA-O 3.29Å; I300-M399 HydrophobicContact CB-CB 4.28Å; I300-M399 HydrophobicContact CD1-SD 4.27Å; I300-M399 HydrophobicContact CG1-CB 4.04Å; I300-M399 HydrophobicContact CG1-SD 4.43Å; I300-M399 HydrophobicContact CG2-CB 4.02Å; I300-M399 HydrophobicContact CG2-CG 4.11Å; I300-M399 HydrophobicContact CG2-SD 3.92Å; M301-M399 PolarHBondContact N-O 3.49Å; M399-Y521 CarbonylContact C-O 3.54Å; M399-Y521 VanDerWaalsContact CA-O 3.31Å; M399-Y521 WeakPolarHBondContact CA-O 3.05Å; M399-Y523 HydrophobicContact CG-CD1 4.44Å; M399-Y523 HydrophobicContact SD-CD1 4.38Å; M399-W580 HydrophobicContact SD-CD2 4.36Å; M399-W580 HydrophobicContact SD-CZ2 4.41Å; M399-F583 HydrophobicContact CB-CE1 4.13Å; M399-F583 HydrophobicContact CB-CE2 4.09Å; M399-F583 HydrophobicContact CB-CZ 3.87Å; M399-F583 HydrophobicContact CE-CB 3.68Å; M399-F583 HydrophobicContact CE-CD1 4.2Å; M399-F583 HydrophobicContact CE-CD2 3.85Å; M399-F583 HydrophobicContact CE-CG 3.64Å; M399-P589 HydrophobicContact CE-CB 4.07Å; M399-P589 HydrophobicContact CE-CG 4.48Å; M399-W632 HydrophobicContact CE-CH2 3.85Å; M399-W632 HydrophobicContact CE-CZ2 4.25Å; M399-W632 HydrophobicContact CE-CZ3 4.19Å; M399-W632 HydrophobicContact CG-CH2 4.36Å; M399-W632 HydrophobicContact CG-CZ2 4.2Å; M399-W632 HydrophobicContact SD-CH2 3.7Å; M399-W632 HydrophobicContact SD-CZ2 4.14Å
400	F	98.8	Very high	95.9	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	147.6	176.1	-66.4	-100.7	0	0	0	109.9	M301 L398 T496 M499 A500 V503 V520 Y521 F522 Y523	M301-F400 HydrophobicContact CB-CD1 4Å; M301-F400 HydrophobicContact CB-CE1 4.34Å; M301-F400 HydrophobicContact CE-CD1 3.66Å; M301-F400 HydrophobicContact CE-CD2 3.96Å; M301-F400 HydrophobicContact CE-CE1 3.13Å; M301-F400 HydrophobicContact CE-CE2 3.46Å; M301-F400 VanDerWaalsContact CE-CE2 3.46Å; M301-F400 HydrophobicContact CE-CG 4.06Å; M301-F400 HydrophobicContact CE-CZ 3.03Å; M301-F400 CarbonylContact O-C 3.54Å; M301-F400 VanDerWaalsContact O-CA 3.3Å; M301-F400 WeakPolarHBondContact O-CA 3.45Å; L398-F400 HydrophobicContact CB-CD2 4.39Å; L398-F400 HydrophobicContact CB-CE2 3.79Å; L398-F400 HydrophobicContact CD1-CE2 4Å; L398-F400 HydrophobicContact CD1-CZ 4.16Å; F400-T496 HydrophobicContact CB-CG2 4.2Å; F400-T496 HydrophobicContact CD1-CG2 3.96Å; F400-M499 HydrophobicContact CE1-CB 4.14Å; F400-M499 HydrophobicContact CE1-CG 3.82Å; F400-M499 HydrophobicContact CZ-CG 4.1Å; F400-A500 HydrophobicContact CB-CB 4.3Å; F400-A500 HydrophobicContact CD1-CB 4.14Å; F400-A500 HydrophobicContact CD2-CB 3.72Å; F400-A500 HydrophobicContact CE1-CB 4.32Å; F400-A500 HydrophobicContact CE2-CB 3.94Å; F400-A500 HydrophobicContact CG-CB 3.81Å; F400-A500 HydrophobicContact CZ-CB 4.22Å; F400-V503 HydrophobicContact CZ-CG2 4.45Å; F400-V520 HydrophobicContact CD2-CG1 3.71Å; F400-V520 HydrophobicContact CE2-CG1 3.8Å; F400-Y521 PolarHBondContact N-O 2.86Å; F400-F522 HydrophobicContact CB-CD2 3.46Å; F400-F522 VanDerWaalsContact CB-CD2 3.46Å; F400-F522 HydrophobicContact CB-CE2 3.65Å; F400-F522 HydrophobicContact CB-CG 4.34Å; F400-F522 HydrophobicContact CG-CD2 4.4Å; F400-F522 CarbonylContact O-C 3.58Å; F400-F522 VanDerWaalsContact O-CA 3.24Å; F400-F522 WeakPolarHBondContact O-CA 3.03Å; F400-Y523 VanDerWaalsContact O-CD1 3.31Å; F400-Y523 WeakPolarHBondContact O-CD1 3.14Å; F400-Y523 PolarHBondContact O-N 3.33Å
401	G	98.7	Very high	96.2	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	152.3	-178.5	0	0	0	0	0	112.5	M301 S303 Y523	M301-G401 PolarHBondContact O-N 3.26Å; S303-G401 WeakPolarHBondContact CA-O 3.32Å; S303-G401 PolarHBondContact N-O 2.92Å; G401-Y523 WeakPolarHBondContact CA-O 3.35Å
402	I	98.7	Very high	96.1	Very high	1 Å²	1	18 Å²	18	1%	0.005	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	156.3	167.7	59.2	173	0	0	0	109.9	E406 K493 T496 I497 F522 Y523 E524 F525	I402-E406 WeakPolarHBondContact CA-OE1 3.47Å; I402-E406 WeakPolarHBondContact CB-OE1 3.5Å; I402-K493 HydrophobicContact CB-CG 4.32Å; I402-K493 HydrophobicContact CD1-CB 4.07Å; I402-K493 HydrophobicContact CD1-CD 4.21Å; I402-K493 HydrophobicContact CD1-CG 3.96Å; I402-K493 HydrophobicContact CG2-CB 4.45Å; I402-K493 HydrophobicContact CG2-CG 4.45Å; I402-T496 HydrophobicContact CG2-CG2 3.94Å; I402-I497 HydrophobicContact CD1-CD1 4.2Å; I402-F522 HydrophobicContact CD1-CE1 4.05Å; I402-F522 HydrophobicContact CD1-CZ 4.22Å; I402-F522 HydrophobicContact CG1-CE1 3.9Å; I402-F522 HydrophobicContact CG1-CZ 4.14Å; I402-F522 HydrophobicContact CG2-CZ 3.98Å; I402-Y523 PolarHBondContact N-O 3.13Å; I402-E524 HydrophobicContact CD1-CG 4.4Å; I402-E524 HydrophobicContact CG1-CB 4.16Å; I402-E524 HydrophobicContact CG1-CG 4.09Å; I402-E524 CarbonylContact O-C 3.51Å; I402-E524 VanDerWaalsContact O-CA 3.29Å; I402-E524 WeakPolarHBondContact O-CA 3.48Å; I402-F525 PolarHBondContact O-N 2.59Å
403	N	98.5	Very high	96	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	155.2	170.3	-69.8	1.8	0	0	0	111.2	N405 E406 K493 F525 T540 M541 G543 E545	N403-N405 VanDerWaalsContact C-N 3.29Å; N403-N405 PolarHBondContact O-N 2.73Å; N403-E406 PolarHBondContact N-OE1 2.7Å; N403-E406 WeakPolarHBondContact O-CG 3.21Å; N403-K493 WeakPolarHBondContact O-CE 3.35Å; N403-F525 CarbonylContact C-O 3.58Å; N403-F525 WeakPolarHBondContact CA-O 3.34Å; N403-F525 WeakPolarHBondContact OD1-CB 3.36Å; N403-T540 HydrophobicContact CB-CG2 4.16Å; N403-M541 PolarHBondContact ND2-O 3.16Å; N403-G543 PolarHBondContact ND2-N 2.93Å; N403-E545 PolarHBondContact ND2-OE2 2.82Å; N403-E545 PolarHBondContact OD1-OE2 2.99Å
404	K	97.7	Very high	95.9	Very high	94 Å²	94	21.9 Å²	21.9	41%	0.409	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-35.4	-178.9	-170.4	-177.3	171.5	-174.2	0	112.7	K493 F525 Q526	K404-K493 VanDerWaalsContact O-CE 3.27Å; K404-K493 WeakPolarHBondContact O-CE 3.21Å; K404-K493 PolarHBondContact O-NZ 2.89Å; K404-F525 PolarHBondContact N-O 2.77Å; K404-Q526 HydrophobicContact CB-CB 4.28Å; K404-Q526 HydrophobicContact CB-CG 4.06Å; K404-Q526 HydrophobicContact CD-CB 4.2Å; K404-Q526 HydrophobicContact CD-CG 4.27Å; K404-Q526 HydrophobicContact CG-CG 4.37Å
405	N	98.1	Very high	95.8	Very high	21 Å²	21	18.8 Å²	18.8	11%	0.112	10%	0.103	C	C	.	.	B	Isolated β-bridge	trans	-128.4	58.3	-175	-54.4	101.6	0	0	0	111.2	N403 G407 S408 E484 T538 G539 T540 M541	N403-N405 VanDerWaalsContact C-N 3.29Å; N403-N405 PolarHBondContact O-N 2.73Å; N405-G407 VanDerWaalsContact C-N 3.27Å; N405-G407 PolarHBondContact O-N 3.34Å; N405-S408 PolarHBondContact O-N 3.31Å; N405-S408 PolarHBondContact O-OG 2.89Å; N405-E484 WeakPolarHBondContact CA-OE1 3.41Å; N405-E484 HydrophobicContact CB-CG 4.4Å; N405-E484 PolarHBondContact ND2-OE2 3.44Å; N405-T538 WeakPolarHBondContact CB-O 3.35Å; N405-G539 WeakPolarHBondContact OD1-CA 3.3Å; N405-T540 CarbonylContact C-O 3.56Å; N405-T540 WeakPolarHBondContact CA-O 3.34Å; N405-T540 WeakPolarHBondContact CB-O 3.13Å; N405-T540 PolarHBondContact N-O 3.47Å; N405-T540 PolarHBondContact OD1-N 3.44Å; N405-M541 WeakPolarHBondContact O-CA 3.37Å
406	E	98.4	Very high	95.5	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-52.4	-43.7	179.1	-56.6	-76.6	-160.8	0	0	112.8	S303 I402 N403 S408 F410 S488 F492 K493 H542	S303-E406 VanDerWaalsContact CB-OE1 3.28Å; S303-E406 WeakPolarHBondContact CB-OE1 3.39Å; S303-E406 PolarHBondContact OG-OE1 3.2Å; S303-E406 PolarHBondContact OG-OE2 3.01Å; I402-E406 WeakPolarHBondContact CA-OE1 3.47Å; I402-E406 WeakPolarHBondContact CB-OE1 3.5Å; N403-E406 PolarHBondContact N-OE1 2.7Å; N403-E406 WeakPolarHBondContact O-CG 3.21Å; E406-S408 VanDerWaalsContact C-N 3.33Å; E406-S408 PolarHBondContact O-N 2.8Å; E406-F410 WeakPolarHBondContact O-CD2 3.3Å; E406-S488 WeakPolarHBondContact CB-OG 3.05Å; E406-S488 PolarHBondContact N-OG 3.13Å; E406-F492 HydrophobicContact CB-CB 3.7Å; E406-F492 HydrophobicContact CB-CD2 3.76Å; E406-F492 HydrophobicContact CB-CG 3.91Å; E406-F492 HydrophobicContact CG-CB 3.68Å; E406-F492 HydrophobicContact CG-CG 4.37Å; E406-K493 HydrophobicContact CG-CG 3.74Å; E406-H542 WeakPolarHBondContact O-CB 3.45Å; E406-H542 IonicContact OE2-CE1 2.73Å; E406-H542 IonicContact OE2-CG 3.34Å; E406-H542 IonicContact OE2-ND1 2.79Å; E406-H542 PolarHBondContact OE2-ND1 2.91Å
407	G	97	Very high	94.9	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-72	-25	-172.7	0	0	0	0	0	114	N405 Y409 F410 L411 S487 S488	N405-G407 VanDerWaalsContact C-N 3.27Å; N405-G407 PolarHBondContact O-N 3.34Å; G407-Y409 VanDerWaalsContact C-N 3.32Å; G407-Y409 PolarHBondContact O-N 3.3Å; G407-F410 PolarHBondContact O-N 2.95Å; G407-L411 WeakPolarHBondContact O-CG 3.03Å; G407-L411 PolarHBondContact O-N 3.12Å; G407-S487 WeakPolarHBondContact CA-OG 3.19Å; G407-S488 PolarHBondContact N-OG 2.67Å
408	S	95.8	Very high	94	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-64.5	-34	-167.8	62.8	0	0	0	0	113.7	N405 E406 F410 L411 L412 T538 M541	N405-S408 PolarHBondContact O-N 3.31Å; N405-S408 PolarHBondContact O-OG 2.89Å; E406-S408 VanDerWaalsContact C-N 3.33Å; E406-S408 PolarHBondContact O-N 2.8Å; S408-F410 VanDerWaalsContact C-N 3.33Å; S408-F410 PolarHBondContact O-N 2.8Å; S408-L411 PolarHBondContact O-N 3.31Å; S408-L412 WeakPolarHBondContact O-CB 3.13Å; S408-L412 PolarHBondContact O-N 3.4Å; S408-T538 WeakPolarHBondContact CB-O 3.24Å; S408-T538 PolarHBondContact OG-O 2.87Å; S408-M541 WeakPolarHBondContact OG-CG 3.46Å
409	Y	94.4	Very high	92.9	Very high	46 Å²	46	23.1 Å²	23.1	18%	0.18	13%	0.126	C	C	.	.	H	α-helix	trans	-58.4	-45.4	173.3	176.5	-90.6	0	0	0	111.4	G407 L412 Y413	G407-Y409 VanDerWaalsContact C-N 3.32Å; G407-Y409 PolarHBondContact O-N 3.3Å; Y409-L412 WeakPolarHBondContact O-CB 3.43Å; Y409-L412 PolarHBondContact O-N 3.49Å; Y409-Y413 HydrophobicContact CD1-CD2 4.49Å; Y409-Y413 HydrophobicContact CD2-CD2 4.5Å; Y409-Y413 HydrophobicContact CD2-CE2 4.21Å; Y409-Y413 HydrophobicContact CE1-CD2 4.09Å; Y409-Y413 HydrophobicContact CE1-CE2 4.13Å; Y409-Y413 HydrophobicContact CE2-CD2 4.11Å; Y409-Y413 AromaticContact CE2-CE2 3.5Å; Y409-Y413 HydrophobicContact CE2-CE2 3.5Å; Y409-Y413 AromaticContact CZ-CD2 3.88Å; Y409-Y413 AromaticContact CZ-CE2 3.44Å; Y409-Y413 VanDerWaalsContact CZ-CE2 3.44Å; Y409-Y413 AromaticContact CZ-CZ 3.83Å; Y409-Y413 WeakPolarHBondContact O-CD2 3.47Å; Y409-Y413 PolarHBondContact O-N 2.95Å; Y409-Y413 VanDerWaalsContact O-N 3.17Å; Y409-Y413 WeakPolarHBondContact OH-CE2 3.4Å; Y409-Y413 PolarHBondContact OH-OH 3.08Å
410	F	94.9	Very high	91.4	Very high	14 Å²	14	30.4 Å²	30.4	6%	0.061	16%	0.158	C	C	.	.	H	α-helix	trans	-74.8	-37.6	-177.7	-58.4	-83.1	0	0	0	112	Y364 F365 E406 G407 S408 L412 Y413 A414 F492 H542	Y364-F410 HydrophobicContact CD2-CB 3.9Å; Y364-F410 HydrophobicContact CE2-CB 3.47Å; Y364-F410 VanDerWaalsContact CE2-CB 3.47Å; Y364-F410 HydrophobicContact CE2-CG 4.37Å; F365-F410 HydrophobicContact CB-CD1 4.28Å; F365-F410 HydrophobicContact CD1-CE1 4.48Å; F365-F410 AromaticContact CD2-CD1 3.53Å; F365-F410 HydrophobicContact CD2-CD1 3.53Å; F365-F410 AromaticContact CD2-CE1 3.6Å; F365-F410 HydrophobicContact CD2-CE1 3.6Å; F365-F410 HydrophobicContact CE1-CE1 4.36Å; F365-F410 AromaticContact CE2-CD1 3.97Å; F365-F410 HydrophobicContact CE2-CD1 3.97Å; F365-F410 AromaticContact CE2-CE1 3.51Å; F365-F410 HydrophobicContact CE2-CE1 3.51Å; F365-F410 HydrophobicContact CE2-CZ 4.48Å; F365-F410 AromaticContact CG-CD1 3.85Å; F365-F410 HydrophobicContact CG-CD1 3.85Å; F365-F410 HydrophobicContact CG-CE1 4.11Å; F365-F410 AromaticContact CZ-CE1 3.92Å; F365-F410 HydrophobicContact CZ-CE1 3.92Å; F365-F410 HydrophobicContact CZ-CZ 4.5Å; E406-F410 WeakPolarHBondContact O-CD2 3.3Å; G407-F410 PolarHBondContact O-N 2.95Å; S408-F410 VanDerWaalsContact C-N 3.33Å; S408-F410 PolarHBondContact O-N 2.8Å; F410-L412 PolarHBondContact O-N 3.01Å; F410-Y413 PolarHBondContact O-N 2.86Å; F410-A414 VanDerWaalsContact O-CB 3.25Å; F410-A414 WeakPolarHBondContact O-CB 3.45Å; F410-A414 PolarHBondContact O-N 2.68Å; F410-F492 AromaticContact CD2-CE2 3.58Å; F410-F492 HydrophobicContact CD2-CE2 3.58Å; F410-F492 AromaticContact CD2-CZ 3.84Å; F410-F492 HydrophobicContact CD2-CZ 3.84Å; F410-F492 HydrophobicContact CE1-CZ 4.07Å; F410-F492 HydrophobicContact CE2-CD2 4.28Å; F410-F492 HydrophobicContact CE2-CE1 4.02Å; F410-F492 AromaticContact CE2-CE2 3.27Å; F410-F492 HydrophobicContact CE2-CE2 3.27Å; F410-F492 AromaticContact CE2-CZ 3.12Å; F410-F492 HydrophobicContact CE2-CZ 3.12Å; F410-F492 HydrophobicContact CG-CE2 4.43Å; F410-F492 HydrophobicContact CZ-CE1 4Å; F410-F492 AromaticContact CZ-CE2 3.92Å; F410-F492 HydrophobicContact CZ-CE2 3.92Å; F410-F492 AromaticContact CZ-CZ 3.26Å; F410-F492 HydrophobicContact CZ-CZ 3.26Å; F410-H542 HydrophobicContact CE2-CB 3.98Å; F410-H542 AromaticContact CE2-CD2 3.63Å; F410-H542 AromaticContact CE2-CG 3.81Å; F410-H542 AromaticContact CZ-CD2 3.53Å; F410-H542 AromaticContact CZ-NE2 3.87Å
411	L	94	Very high	89.8	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-61.2	-37.3	172.8	-63.5	-176.3	0	0	0	111.8	Y364 G407 S408 F415 V443 L483 E484 W537	Y364-L411 HydrophobicContact CD2-CD2 4.17Å; Y364-L411 HydrophobicContact CE2-CD2 4.38Å; G407-L411 WeakPolarHBondContact O-CG 3.03Å; G407-L411 PolarHBondContact O-N 3.12Å; S408-L411 PolarHBondContact O-N 3.31Å; L411-F415 HydrophobicContact CB-CD2 4.37Å; L411-F415 HydrophobicContact CD2-CD2 3.79Å; L411-F415 HydrophobicContact CD2-CE2 3.49Å; L411-F415 VanDerWaalsContact CD2-CE2 3.49Å; L411-F415 WeakPolarHBondContact O-CB 3.25Å; L411-F415 PolarHBondContact O-N 3.12Å; L411-V443 HydrophobicContact CD2-CG2 3.94Å; L411-L483 HydrophobicContact CD1-CB 4.35Å; L411-L483 HydrophobicContact CD1-CD2 4.23Å; L411-L483 HydrophobicContact CD1-CG 4.04Å; L411-L483 HydrophobicContact CD2-CD2 3.88Å; L411-L483 HydrophobicContact CD2-CG 3.92Å; L411-E484 HydrophobicContact CD1-CB 3.96Å; L411-W537 HydrophobicContact CB-CH2 4.15Å; L411-W537 HydrophobicContact CB-CZ3 4.38Å
412	L	91.2	Very high	88	Confident	0 Å²	0	36 Å²	36	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-60.7	-51.7	173.9	172.9	58.9	0	0	0	110.8	F145 S408 Y409 F410 A414 V416 W421 M534 W537	F145-L412 HydrophobicContact CD2-CG 4.42Å; F145-L412 HydrophobicContact CE1-CD1 3.88Å; F145-L412 HydrophobicContact CE1-CG 4.44Å; F145-L412 HydrophobicContact CE2-CD1 4.21Å; F145-L412 HydrophobicContact CE2-CG 3.94Å; F145-L412 HydrophobicContact CZ-CD1 3.7Å; F145-L412 HydrophobicContact CZ-CG 3.95Å; S408-L412 WeakPolarHBondContact O-CB 3.13Å; S408-L412 PolarHBondContact O-N 3.4Å; Y409-L412 WeakPolarHBondContact O-CB 3.43Å; Y409-L412 PolarHBondContact O-N 3.49Å; F410-L412 PolarHBondContact O-N 3.01Å; L412-A414 PolarHBondContact O-N 3.27Å; L412-V416 HydrophobicContact CD1-CB 3.81Å; L412-V416 HydrophobicContact CD1-CG1 4.05Å; L412-V416 HydrophobicContact CD1-CG2 3.86Å; L412-V416 VanDerWaalsContact O-CB 3.27Å; L412-V416 WeakPolarHBondContact O-CB 3.12Å; L412-V416 PolarHBondContact O-N 2.52Å; L412-W421 HydrophobicContact CD1-CD2 4.26Å; L412-W421 HydrophobicContact CD1-CE3 3.94Å; L412-W421 HydrophobicContact CD1-CH2 3.12Å; L412-W421 HydrophobicContact CD1-CZ2 3.62Å; L412-W421 HydrophobicContact CD1-CZ3 3.38Å; L412-W421 HydrophobicContact CD2-CH2 3.9Å; L412-W421 HydrophobicContact CD2-CZ3 3.97Å; L412-W421 HydrophobicContact CG-CH2 4.12Å; L412-W421 HydrophobicContact CG-CZ3 4.33Å; L412-M534 HydrophobicContact CD2-SD 4.15Å; L412-W537 HydrophobicContact CB-CH2 4.2Å; L412-W537 HydrophobicContact CB-CZ2 4.34Å
413	Y	90.8	Very high	86.5	Confident	56 Å²	56	45.1 Å²	45.1	22%	0.22	22%	0.224	C	C	.	.	H	α-helix	trans	-67.9	-33.8	-179	-86.9	-109.8	0	0	0	113.8	D142 M144 F145 Y409 F410	D142-Y413 WeakPolarHBondContact OD2-CE1 3.38Å; D142-Y413 PolarHBondContact OD2-OH 3.4Å; M144-Y413 HydrophobicContact CB-CD1 4.26Å; M144-Y413 HydrophobicContact CB-CE1 3.91Å; F145-Y413 HydrophobicContact CD2-CD2 4.12Å; F145-Y413 HydrophobicContact CD2-CE1 4.33Å; F145-Y413 AromaticContact CD2-CE2 3.84Å; F145-Y413 HydrophobicContact CD2-CE2 3.84Å; F145-Y413 HydrophobicContact CD2-CG 4.5Å; F145-Y413 AromaticContact CD2-CZ 3.98Å; F145-Y413 HydrophobicContact CE2-CD1 4.42Å; F145-Y413 AromaticContact CE2-CD2 3.99Å; F145-Y413 HydrophobicContact CE2-CD2 3.99Å; F145-Y413 HydrophobicContact CE2-CE2 4.19Å; F145-Y413 HydrophobicContact CE2-CG 4.12Å; Y409-Y413 HydrophobicContact CD1-CD2 4.49Å; Y409-Y413 HydrophobicContact CD2-CD2 4.5Å; Y409-Y413 HydrophobicContact CD2-CE2 4.21Å; Y409-Y413 HydrophobicContact CE1-CD2 4.09Å; Y409-Y413 HydrophobicContact CE1-CE2 4.13Å; Y409-Y413 HydrophobicContact CE2-CD2 4.11Å; Y409-Y413 AromaticContact CE2-CE2 3.5Å; Y409-Y413 HydrophobicContact CE2-CE2 3.5Å; Y409-Y413 AromaticContact CZ-CD2 3.88Å; Y409-Y413 AromaticContact CZ-CE2 3.44Å; Y409-Y413 VanDerWaalsContact CZ-CE2 3.44Å; Y409-Y413 AromaticContact CZ-CZ 3.83Å; Y409-Y413 WeakPolarHBondContact O-CD2 3.47Å; Y409-Y413 PolarHBondContact O-N 2.95Å; Y409-Y413 VanDerWaalsContact O-N 3.17Å; Y409-Y413 WeakPolarHBondContact OH-CE2 3.4Å; Y409-Y413 PolarHBondContact OH-OH 3.08Å; F410-Y413 PolarHBondContact O-N 2.86Å
414	A	91.2	Very high	85.1	Confident	42 Å²	42	48.1 Å²	48.1	35%	0.347	24%	0.241	S	C	.	.	H	α-helix	trans	-81.2	-41.3	-176.8	0	0	0	0	0	113.4	F410 L412	F410-A414 VanDerWaalsContact O-CB 3.25Å; F410-A414 WeakPolarHBondContact O-CB 3.45Å; F410-A414 PolarHBondContact O-N 2.68Å; L412-A414 PolarHBondContact O-N 3.27Å
415	F	90.3	Very high	84	Confident	33 Å²	33	48.6 Å²	48.6	15%	0.145	25%	0.247	C	C	.	.	H	α-helix	trans	-116.2	-6.8	-164	-55.4	-44.4	0	0	0	114.9	L411 P429 C439 Q442 V443 L483	L411-F415 HydrophobicContact CB-CD2 4.37Å; L411-F415 HydrophobicContact CD2-CD2 3.79Å; L411-F415 HydrophobicContact CD2-CE2 3.49Å; L411-F415 VanDerWaalsContact CD2-CE2 3.49Å; L411-F415 WeakPolarHBondContact O-CB 3.25Å; L411-F415 PolarHBondContact O-N 3.12Å; F415-P429 HydrophobicContact CB-CB 4.11Å; F415-C439 HydrophobicContact CD1-CB 4.42Å; F415-C439 HydrophobicContact CD2-CB 3.93Å; F415-C439 HydrophobicContact CE1-CB 4.14Å; F415-C439 HydrophobicContact CE2-CB 3.6Å; F415-C439 HydrophobicContact CG-CB 4.33Å; F415-C439 HydrophobicContact CZ-CB 3.73Å; F415-Q442 HydrophobicContact CE1-CB 4.17Å; F415-Q442 HydrophobicContact CZ-CB 3.98Å; F415-V443 HydrophobicContact CE2-CG2 4.25Å; F415-V443 HydrophobicContact CZ-CG2 4.49Å; F415-L483 HydrophobicContact CD2-CD2 4.32Å; F415-L483 HydrophobicContact CE2-CD2 4.18Å
416	V	86.8	Confident	83	Confident	14 Å²	14	52.7 Å²	52.7	9%	0.085	27%	0.273	C	S	.	.	S	Bend	trans	-109.5	126	-177.9	-175.4	0	0	0	0	110.5	F145 L412 N418 W421 P429	F145-V416 HydrophobicContact CE1-CG1 4.33Å; F145-V416 HydrophobicContact CZ-CB 4.3Å; F145-V416 HydrophobicContact CZ-CG1 4.5Å; L412-V416 HydrophobicContact CD1-CB 3.81Å; L412-V416 HydrophobicContact CD1-CG1 4.05Å; L412-V416 HydrophobicContact CD1-CG2 3.86Å; L412-V416 VanDerWaalsContact O-CB 3.27Å; L412-V416 WeakPolarHBondContact O-CB 3.12Å; L412-V416 PolarHBondContact O-N 2.52Å; V416-N418 PolarHBondContact O-N 3.09Å; V416-W421 HydrophobicContact CG1-CB 3.61Å; V416-W421 HydrophobicContact CG1-CD2 3.76Å; V416-W421 HydrophobicContact CG1-CG 3.32Å; V416-W421 HydrophobicContact CG1-CZ2 4.49Å; V416-P429 HydrophobicContact CG2-CB 3.89Å
417	S	82.1	Confident	82.2	Confident	51 Å²	51	55.7 Å²	55.7	36%	0.357	29%	0.289	S	S	.	.			trans	-71.6	128.7	175.4	166.9	0	0	0	0	111.3	S419 K420 W421	S417-S419 VanDerWaalsContact C-N 3.26Å; S417-S419 PolarHBondContact O-N 3.28Å; S417-S419 PolarHBondContact OG-N 3.32Å; S417-S419 PolarHBondContact OG-OG 3.25Å; S417-K420 PolarHBondContact O-N 2.82Å; S417-K420 PolarHBondContact OG-N 2.85Å; S417-W421 WeakPolarHBondContact O-CB 3.35Å; S417-W421 PolarHBondContact O-N 2.87Å; S417-W421 VanDerWaalsContact O-N 3.12Å
418	N	80.1	Confident	81.8	Confident	39 Å²	39	57.6 Å²	57.6	21%	0.209	30%	0.299	C	S	.	.	H	α-helix	trans	-51.3	-44.7	175	-162.2	23.1	0	0	0	111.9	M144 F145 V416 M422	M144-N418 HydrophobicContact CE-CB 3.77Å; M144-N418 HydrophobicContact SD-CB 3.81Å; F145-N418 WeakPolarHBondContact CA-OD1 3.43Å; F145-N418 PolarHBondContact N-OD1 3.44Å; V416-N418 PolarHBondContact O-N 3.09Å; N418-M422 WeakPolarHBondContact O-CE 3.48Å; N418-M422 VanDerWaalsContact O-CG 3.29Å; N418-M422 WeakPolarHBondContact O-CG 3.43Å; N418-M422 PolarHBondContact O-N 2.88Å
419	S	74.6	Confident	81.4	Confident	75 Å²	75	58.1 Å²	58.1	52%	0.524	30%	0.302	S	S	.	.	H	α-helix	trans	-74.9	-36.1	-176.2	64.4	0	0	0	0	114.5	S417	S417-S419 VanDerWaalsContact C-N 3.26Å; S417-S419 PolarHBondContact O-N 3.28Å; S417-S419 PolarHBondContact OG-N 3.32Å; S417-S419 PolarHBondContact OG-OG 3.25Å
420	K	66.5	Low	81.3	Confident	153 Å²	153	56 Å²	56	67%	0.665	29%	0.294	S	S	*	.	H	α-helix	trans	-67.1	-41.2	176.2	-75	-173.8	173.2	-179.6	0	110.9	S417 K423	S417-K420 PolarHBondContact O-N 2.82Å; S417-K420 PolarHBondContact OG-N 2.85Å; K420-K423 PolarHBondContact O-N 3.43Å
421	W	65.3	Low	81.1	Confident	14 Å²	14	59.6 Å²	59.6	5%	0.053	32%	0.317	C	S	.	.	H	α-helix	trans	-84.8	-21.9	-169.2	-135	63.3	0	0	0	115.1	F145 L412 V416 S417 K423 N424 D427 P535 W537 T538	F145-W421 HydrophobicContact CD1-CE3 4.42Å; F145-W421 HydrophobicContact CE1-CE3 4.36Å; L412-W421 HydrophobicContact CD1-CD2 4.26Å; L412-W421 HydrophobicContact CD1-CE3 3.94Å; L412-W421 HydrophobicContact CD1-CH2 3.12Å; L412-W421 HydrophobicContact CD1-CZ2 3.62Å; L412-W421 HydrophobicContact CD1-CZ3 3.38Å; L412-W421 HydrophobicContact CD2-CH2 3.9Å; L412-W421 HydrophobicContact CD2-CZ3 3.97Å; L412-W421 HydrophobicContact CG-CH2 4.12Å; L412-W421 HydrophobicContact CG-CZ3 4.33Å; V416-W421 HydrophobicContact CG1-CB 3.61Å; V416-W421 HydrophobicContact CG1-CD2 3.76Å; V416-W421 HydrophobicContact CG1-CG 3.32Å; V416-W421 HydrophobicContact CG1-CZ2 4.49Å; S417-W421 WeakPolarHBondContact O-CB 3.35Å; S417-W421 PolarHBondContact O-N 2.87Å; S417-W421 VanDerWaalsContact O-N 3.12Å; W421-K423 PolarHBondContact O-N 3.04Å; W421-N424 PolarHBondContact O-N 2.68Å; W421-D427 PolarHBondContact NE1-O 2.77Å; W421-P535 HydrophobicContact CD2-CG 4.14Å; W421-P535 HydrophobicContact CE3-CG 3.86Å; W421-P535 HydrophobicContact CH2-CB 3.52Å; W421-P535 HydrophobicContact CH2-CG 2.97Å; W421-P535 HydrophobicContact CZ2-CB 3.53Å; W421-P535 HydrophobicContact CZ2-CG 3.21Å; W421-P535 HydrophobicContact CZ3-CB 4.28Å; W421-P535 HydrophobicContact CZ3-CG 3.26Å; W421-W537 HydrophobicContact CH2-CZ2 4.4Å; W421-W537 AromaticContact CZ2-CE2 3.97Å; W421-W537 AromaticContact CZ2-CZ2 3.99Å; W421-W537 HydrophobicContact CZ2-CZ2 3.99Å; W421-W537 AromaticContact CZ2-NE1 3.42Å; W421-T538 HydrophobicContact CH2-CG2 4.47Å
422	M	61.3	Low	81.1	Confident	104 Å²	104	62.6 Å²	62.6	51%	0.512	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-16.3	168.4	-79.2	-173.3	-70.9	0	0	113.3	N147 N418	N147-M422 PolarHBondContact ND2-SD 3.2Å; N418-M422 WeakPolarHBondContact O-CE 3.48Å; N418-M422 VanDerWaalsContact O-CG 3.29Å; N418-M422 WeakPolarHBondContact O-CG 3.43Å; N418-M422 PolarHBondContact O-N 2.88Å
423	K	67.4	Low	81.2	Confident	191 Å²	191	69.3 Å²	69.3	83%	0.83	36%	0.358	S	S	*	.	S	Bend	trans	-96	-31.2	-179.5	-62.7	-177.7	-179.5	-179.3	0	114.2	K420 W421	K420-K423 PolarHBondContact O-N 3.43Å; W421-K423 PolarHBondContact O-N 3.04Å
424	N	69.3	Low	81.3	Confident	64 Å²	64	73 Å²	73	34%	0.342	38%	0.38	S	S	.	.			trans	-148.4	111.2	-173.9	-170.5	14.8	0	0	0	113.3	W421 T426 D427	W421-N424 PolarHBondContact O-N 2.68Å; N424-T426 PolarHBondContact ND2-OG1 3.31Å; N424-T426 PolarHBondContact O-N 3.06Å; N424-T426 PolarHBondContact OD1-N 3.17Å; N424-T426 PolarHBondContact OD1-OG1 3.17Å; N424-T426 VanDerWaalsContact OD1-OG1 3.09Å; N424-D427 PolarHBondContact ND2-OD1 3.24Å; N424-D427 PolarHBondContact O-N 2.87Å
425	L	74.3	Confident	81.4	Confident	104 Å²	104	72.5 Å²	72.5	55%	0.545	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-1.2	177.9	-67.5	174.1	0	0	0	113.8	P535	L425-P535 HydrophobicContact CB-CG 3.96Å; L425-P535 HydrophobicContact CD2-CG 3.61Å; L425-P535 HydrophobicContact CG-CG 4.39Å; L425-P535 WeakPolarHBondContact O-CB 3.39Å; L425-P535 VanDerWaalsContact O-CG 3.23Å; L425-P535 WeakPolarHBondContact O-CG 3.21Å
426	T	78.2	Confident	81.6	Confident	107 Å²	107	70.9 Å²	70.9	66%	0.656	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.3	-7.1	177.2	72.4	0	0	0	0	113.8	N424 L428	N424-T426 PolarHBondContact ND2-OG1 3.31Å; N424-T426 PolarHBondContact O-N 3.06Å; N424-T426 PolarHBondContact OD1-N 3.17Å; N424-T426 PolarHBondContact OD1-OG1 3.17Å; N424-T426 VanDerWaalsContact OD1-OG1 3.09Å; T426-L428 PolarHBondContact O-N 3.38Å
427	D	81.8	Confident	81.9	Confident	63 Å²	63	71.8 Å²	71.8	34%	0.337	37%	0.368	S	S	.	.			trans	-68.1	132.2	-177.3	-72.6	1.4	0	0	0	111	W421 N424 W537	W421-D427 PolarHBondContact NE1-O 2.77Å; N424-D427 PolarHBondContact ND2-OD1 3.24Å; N424-D427 PolarHBondContact O-N 2.87Å; D427-W537 PolarHBondContact O-NE1 2.93Å
428	L	88.1	Confident	82.4	Confident	39 Å²	39	74.3 Å²	74.3	20%	0.204	37%	0.37	C	S	.	.			trans	-90.1	149.6	175.5	-62.2	174.7	0	0	0	110.4	T426 I430 L476 E477 T480 W537	T426-L428 PolarHBondContact O-N 3.38Å; L428-I430 PolarHBondContact O-N 3.11Å; L428-L476 HydrophobicContact CD1-CB 3.75Å; L428-E477 HydrophobicContact CD1-CG 4.04Å; L428-T480 HydrophobicContact CD2-CG2 4.22Å; L428-W537 HydrophobicContact CD2-CB 3.96Å; L428-W537 HydrophobicContact CD2-CG 3.92Å
429	P	87.7	Confident	83.1	Confident	11 Å²	11	72.4 Å²	72.4	7%	0.071	36%	0.36	C	S	.	.	S	Bend	trans	-62.1	-26.8	173.6	25.3	-33.5	0	0	0	112.2	F415 V416 T480 W537	F415-P429 HydrophobicContact CB-CB 4.11Å; V416-P429 HydrophobicContact CG2-CB 3.89Å; P429-T480 HydrophobicContact CG-CG2 3.71Å; P429-W537 HydrophobicContact CG-CH2 4.04Å; P429-W537 HydrophobicContact CG-CZ2 4.08Å; P429-W537 HydrophobicContact CG-CZ3 4.37Å
430	I	92	Very high	84.1	Confident	2 Å²	2	68.9 Å²	68.9	1%	0.01	34%	0.335	C	S	.	.			trans	-101.3	124.3	-178.8	-56.8	-47.3	0	0	0	110.6	L428 N432 C439 W479 L483	L428-I430 PolarHBondContact O-N 3.11Å; I430-N432 VanDerWaalsContact CG2-O 3.32Å; I430-N432 WeakPolarHBondContact CG2-O 3.5Å; I430-C439 HydrophobicContact CD1-CB 4.08Å; I430-W479 HydrophobicContact CG2-CB 3.96Å; I430-W479 HydrophobicContact CG2-CE3 4.43Å; I430-L483 HydrophobicContact CD1-CD2 3.83Å; I430-L483 HydrophobicContact CG1-CD2 4.34Å
431	T	91	Very high	85.4	Confident	89 Å²	89	63.6 Å²	63.6	55%	0.546	31%	0.311	S	S	.	.	S	Bend	trans	-105.9	-17.5	177.4	82.5	0	0	0	0	114	D435 L476	T431-D435 PolarHBondContact OG1-OD2 2.91Å; T431-L476 WeakPolarHBondContact O-CD2 3.46Å
432	N	93.9	Very high	86.7	Confident	63 Å²	63	64.5 Å²	64.5	34%	0.337	32%	0.316	S	S	.	.	S	Bend	trans	-165.4	175.9	177.7	60.9	71	0	0	0	110.6	I430 M434 D435 Y436	I430-N432 VanDerWaalsContact CG2-O 3.32Å; I430-N432 WeakPolarHBondContact CG2-O 3.5Å; N432-M434 VanDerWaalsContact C-N 3.35Å; N432-M434 PolarHBondContact O-N 2.88Å; N432-M434 WeakPolarHBondContact OD1-CA 3.43Å; N432-M434 VanDerWaalsContact OD1-CB 3.3Å; N432-M434 WeakPolarHBondContact OD1-CB 3.22Å; N432-M434 PolarHBondContact OD1-N 2.67Å; N432-D435 PolarHBondContact ND2-OD2 3.14Å; N432-D435 VanDerWaalsContact ND2-OD2 3.07Å; N432-D435 PolarHBondContact O-N 3.27Å; N432-D435 PolarHBondContact OD1-N 3.45Å; N432-Y436 PolarHBondContact O-N 2.91Å; N432-Y436 VanDerWaalsContact O-N 3.1Å
433	R	93.1	Very high	88.4	Confident	141 Å²	141	59.6 Å²	59.6	53%	0.532	29%	0.291	S	S	.	.	H	α-helix	trans	-63.4	-34.3	-179.7	-171.8	172.5	179.8	-113.1	-2.2	114	Y436 L437 W479	R433-Y436 PolarHBondContact O-N 2.86Å; R433-L437 HydrophobicContact CG-CD1 4.46Å; R433-L437 WeakPolarHBondContact O-CG 3.39Å; R433-L437 PolarHBondContact O-N 3.23Å; R433-W479 HydrophobicContact CB-CH2 3.86Å; R433-W479 HydrophobicContact CB-CZ2 3.74Å; R433-W479 HydrophobicContact CB-CZ3 4.43Å; R433-W479 HydrophobicContact CG-CZ2 4Å
434	M	93	Very high	89.7	Confident	135 Å²	135	50.6 Å²	50.6	67%	0.665	25%	0.252	S	S	*	.	H	α-helix	trans	-68	-40.1	178.2	-69.1	-59.8	-60.5	0	0	110.9	N432 L437 R438	N432-M434 VanDerWaalsContact C-N 3.35Å; N432-M434 PolarHBondContact O-N 2.88Å; N432-M434 WeakPolarHBondContact OD1-CA 3.43Å; N432-M434 VanDerWaalsContact OD1-CB 3.3Å; N432-M434 WeakPolarHBondContact OD1-CB 3.22Å; N432-M434 PolarHBondContact OD1-N 2.67Å; M434-L437 PolarHBondContact O-N 3.31Å; M434-R438 WeakPolarHBondContact O-CB 3.49Å; M434-R438 PolarHBondContact O-N 3.42Å
435	D	92.8	Very high	90.7	Very high	30 Å²	30	50.1 Å²	50.1	16%	0.16	25%	0.25	C	C	.	.	H	α-helix	trans	-60.9	-44.2	172.2	-77.2	-28.4	0	0	0	111.9	T431 N432 L437 R438 C439	T431-D435 PolarHBondContact OG1-OD2 2.91Å; N432-D435 PolarHBondContact ND2-OD2 3.14Å; N432-D435 VanDerWaalsContact ND2-OD2 3.07Å; N432-D435 PolarHBondContact O-N 3.27Å; N432-D435 PolarHBondContact OD1-N 3.45Å; D435-L437 PolarHBondContact O-N 3.44Å; D435-R438 PolarHBondContact O-N 2.53Å; D435-R438 IonicContact OD1-CZ 3.13Å; D435-R438 IonicContact OD1-NE 2.73Å; D435-R438 IonicContact OD1-NH2 3.69Å; D435-R438 PolarHBondContact OD1-NH2 3.18Å; D435-C439 WeakPolarHBondContact O-CB 3.41Å; D435-C439 PolarHBondContact O-N 3.16Å; D435-C439 PolarHBondContact O-SG 3.12Å
436	Y	94.8	Very high	91.4	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-56.8	-48.4	175.1	166.2	-105.3	0	0	0	112	N432 R433 C439 L440 D464 W479 R482 L483	N432-Y436 PolarHBondContact O-N 2.91Å; N432-Y436 VanDerWaalsContact O-N 3.1Å; R433-Y436 PolarHBondContact O-N 2.86Å; Y436-C439 PolarHBondContact O-N 3.29Å; Y436-L440 HydrophobicContact CE1-CD2 4.32Å; Y436-L440 VanDerWaalsContact O-CB 3.3Å; Y436-L440 WeakPolarHBondContact O-CB 3.4Å; Y436-L440 PolarHBondContact O-N 3.34Å; Y436-D464 VanDerWaalsContact CE1-OD1 3.26Å; Y436-D464 WeakPolarHBondContact CE1-OD1 3.45Å; Y436-D464 PolarHBondContact OH-OD1 3.37Å; Y436-W479 AromaticContact CD1-CD1 3.86Å; Y436-W479 HydrophobicContact CD1-CG 4.43Å; Y436-W479 HydrophobicContact CD2-CB 3.97Å; Y436-W479 HydrophobicContact CD2-CG 4.37Å; Y436-W479 HydrophobicContact CG-CB 4.07Å; Y436-W479 AromaticContact CG-CD1 3.9Å; Y436-W479 HydrophobicContact CG-CG 4.07Å; Y436-R482 HydrophobicContact CE2-CB 4.41Å; Y436-R482 HydrophobicContact CE2-CG 4.42Å; Y436-R482 WeakPolarHBondContact OH-CD 3.15Å; Y436-L483 HydrophobicContact CD2-CB 4.14Å; Y436-L483 HydrophobicContact CE2-CB 4Å; Y436-L483 HydrophobicContact CE2-CD1 4.29Å
437	L	93.5	Very high	91.4	Very high	33 Å²	33	44.7 Å²	44.7	17%	0.173	22%	0.217	C	C	.	.	H	α-helix	trans	-66	-38.8	-179.7	-68.8	174.6	0	0	0	112.5	R433 M434 D435 L440 R441 I460	R433-L437 HydrophobicContact CG-CD1 4.46Å; R433-L437 WeakPolarHBondContact O-CG 3.39Å; R433-L437 PolarHBondContact O-N 3.23Å; M434-L437 PolarHBondContact O-N 3.31Å; D435-L437 PolarHBondContact O-N 3.44Å; L437-L440 PolarHBondContact O-N 3.34Å; L437-R441 WeakPolarHBondContact O-CG 3.18Å; L437-R441 PolarHBondContact O-N 3.45Å; L437-I460 HydrophobicContact CD2-CG2 4.02Å
438	R	91.9	Very high	90.9	Very high	103 Å²	103	45.6 Å²	45.6	39%	0.389	22%	0.222	S	C	.	.	H	α-helix	trans	-62.2	-48.2	173.4	177	179.4	57	91.7	1.8	111.5	M434 D435 L440 R441 Q442	M434-R438 WeakPolarHBondContact O-CB 3.49Å; M434-R438 PolarHBondContact O-N 3.42Å; D435-R438 PolarHBondContact O-N 2.53Å; D435-R438 IonicContact OD1-CZ 3.13Å; D435-R438 IonicContact OD1-NE 2.73Å; D435-R438 IonicContact OD1-NH2 3.69Å; D435-R438 PolarHBondContact OD1-NH2 3.18Å; R438-L440 VanDerWaalsContact C-N 3.29Å; R438-L440 PolarHBondContact O-N 3.21Å; R438-R441 WeakPolarHBondContact O-CB 3.38Å; R438-R441 PolarHBondContact O-N 3.02Å; R438-Q442 PolarHBondContact O-N 2.76Å
439	C	94.5	Very high	90.2	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-64.7	-36.3	177.7	-62.5	0	0	0	0	111.5	F415 I430 D435 Y436 R441 Q442 V443 L483	F415-C439 HydrophobicContact CD1-CB 4.42Å; F415-C439 HydrophobicContact CD2-CB 3.93Å; F415-C439 HydrophobicContact CE1-CB 4.14Å; F415-C439 HydrophobicContact CE2-CB 3.6Å; F415-C439 HydrophobicContact CG-CB 4.33Å; F415-C439 HydrophobicContact CZ-CB 3.73Å; I430-C439 HydrophobicContact CD1-CB 4.08Å; D435-C439 WeakPolarHBondContact O-CB 3.41Å; D435-C439 PolarHBondContact O-N 3.16Å; D435-C439 PolarHBondContact O-SG 3.12Å; Y436-C439 PolarHBondContact O-N 3.29Å; C439-R441 VanDerWaalsContact C-N 3.35Å; C439-R441 PolarHBondContact O-N 2.72Å; C439-Q442 PolarHBondContact O-N 3.22Å; C439-V443 WeakPolarHBondContact O-CG2 3.5Å; C439-V443 PolarHBondContact O-N 2.52Å; C439-L483 HydrophobicContact CB-CD1 4.41Å; C439-L483 HydrophobicContact CB-CD2 3.51Å
440	L	95.3	Very high	89.4	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-62.6	-39.3	174.2	179.6	57.6	0	0	0	111.7	Y436 L437 R438 Q442 V443 L444 I460 T463 D464 L483 I486	Y436-L440 HydrophobicContact CE1-CD2 4.32Å; Y436-L440 VanDerWaalsContact O-CB 3.3Å; Y436-L440 WeakPolarHBondContact O-CB 3.4Å; Y436-L440 PolarHBondContact O-N 3.34Å; L437-L440 PolarHBondContact O-N 3.34Å; R438-L440 VanDerWaalsContact C-N 3.29Å; R438-L440 PolarHBondContact O-N 3.21Å; L440-Q442 VanDerWaalsContact C-N 3.32Å; L440-Q442 PolarHBondContact O-N 3.11Å; L440-V443 PolarHBondContact O-N 3.48Å; L440-L444 HydrophobicContact CD1-CD1 4.08Å; L440-L444 HydrophobicContact CD1-CD2 4.46Å; L440-L444 HydrophobicContact CD1-CG 3.98Å; L440-L444 HydrophobicContact CG-CD1 4.11Å; L440-L444 HydrophobicContact CG-CG 4.39Å; L440-L444 WeakPolarHBondContact O-CB 3.46Å; L440-L444 WeakPolarHBondContact O-CG 3.36Å; L440-L444 PolarHBondContact O-N 2.87Å; L440-I460 HydrophobicContact CD2-CG2 3.78Å; L440-I460 HydrophobicContact CG-CG2 4.36Å; L440-T463 HydrophobicContact CD1-CG2 4.29Å; L440-D464 HydrophobicContact CD2-CB 4.29Å; L440-L483 HydrophobicContact CB-CD1 4.13Å; L440-L483 HydrophobicContact CD1-CD1 4.34Å; L440-I486 HydrophobicContact CD1-CD1 3.91Å; L440-I486 HydrophobicContact CD1-CG2 3.82Å
441	R	94.2	Very high	88.6	Confident	43 Å²	43	59.7 Å²	59.7	16%	0.162	29%	0.291	C	S	.	.	H	α-helix	trans	-56.7	-46.8	173.4	-73.6	174.9	-173.7	-82	-8.2	111.5	L437 R438 C439 L444 D445 L446 D448 E457 I460	L437-R441 WeakPolarHBondContact O-CG 3.18Å; L437-R441 PolarHBondContact O-N 3.45Å; R438-R441 WeakPolarHBondContact O-CB 3.38Å; R438-R441 PolarHBondContact O-N 3.02Å; C439-R441 VanDerWaalsContact C-N 3.35Å; C439-R441 PolarHBondContact O-N 2.72Å; R441-L444 CarbonylContact O-C 3.37Å; R441-L444 WeakPolarHBondContact O-CA 3.47Å; R441-L444 WeakPolarHBondContact O-CB 3.44Å; R441-L444 PolarHBondContact O-N 3.3Å; R441-D445 PolarHBondContact O-N 3.16Å; R441-D445 VanDerWaalsContact O-N 3.15Å; R441-L446 HydrophobicContact CB-CB 4.28Å; R441-L446 PolarHBondContact O-N 2.95Å; R441-D448 WeakPolarHBondContact CD-OD1 3.15Å; R441-E457 IonicContact NH2-OE2 2.84Å; R441-E457 PolarHBondContact NH2-OE2 2.79Å; R441-I460 HydrophobicContact CG-CD1 3.53Å; R441-I460 HydrophobicContact CG-CG1 4.32Å; R441-I460 VanDerWaalsContact NH2-CD1 3.27Å
442	Q	93.5	Very high	88.1	Confident	33 Å²	33	59.8 Å²	59.8	15%	0.154	28%	0.282	C	S	.	.	H	α-helix	trans	-69.6	-35	178.7	-67.1	-175.5	33.9	0	0	113.9	A362 Y364 F415 R438 C439 L440 L444 D445	A362-Q442 WeakPolarHBondContact O-CA 3.3Å; Y364-Q442 PolarHBondContact N-O 3.48Å; Y364-Q442 VanDerWaalsContact N-O 3.16Å; F415-Q442 HydrophobicContact CE1-CB 4.17Å; F415-Q442 HydrophobicContact CZ-CB 3.98Å; R438-Q442 PolarHBondContact O-N 2.76Å; C439-Q442 PolarHBondContact O-N 3.22Å; L440-Q442 VanDerWaalsContact C-N 3.32Å; L440-Q442 PolarHBondContact O-N 3.11Å; Q442-L444 PolarHBondContact O-N 3.21Å; Q442-D445 PolarHBondContact O-N 3.04Å
443	V	95.6	Very high	87.6	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-63	-29.6	169.3	169.3	0	0	0	0	111	Y364 L411 F415 C439 L440 D445 L483 I486 R490	Y364-V443 HydrophobicContact CD1-CB 4.32Å; Y364-V443 HydrophobicContact CD1-CG2 4.09Å; Y364-V443 HydrophobicContact CD2-CG2 4.09Å; Y364-V443 HydrophobicContact CE1-CB 4.49Å; Y364-V443 HydrophobicContact CE1-CG1 4.43Å; Y364-V443 HydrophobicContact CE1-CG2 4.38Å; Y364-V443 HydrophobicContact CE2-CG2 4.36Å; Y364-V443 HydrophobicContact CG-CG2 3.93Å; L411-V443 HydrophobicContact CD2-CG2 3.94Å; F415-V443 HydrophobicContact CE2-CG2 4.25Å; F415-V443 HydrophobicContact CZ-CG2 4.49Å; C439-V443 WeakPolarHBondContact O-CG2 3.5Å; C439-V443 PolarHBondContact O-N 2.52Å; L440-V443 PolarHBondContact O-N 3.48Å; V443-D445 VanDerWaalsContact C-N 3.33Å; V443-L483 HydrophobicContact CB-CD1 4.39Å; V443-L483 HydrophobicContact CG2-CD1 3.86Å; V443-L483 HydrophobicContact CG2-CG 4.41Å; V443-I486 HydrophobicContact CG1-CG2 3.91Å; V443-R490 WeakPolarHBondContact O-CD 2.83Å; V443-R490 VanDerWaalsContact O-CZ 3.3Å; V443-R490 PolarHBondContact O-NE 3.28Å
444	L	94.4	Very high	87.3	Confident	2 Å²	2	57.6 Å²	57.6	1%	0.01	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	2.3	178.2	-64.7	-178.3	0	0	0	114.5	L440 R441 Q442 L446 I460 T463 R490 W666 Y670	L440-L444 HydrophobicContact CD1-CD1 4.08Å; L440-L444 HydrophobicContact CD1-CD2 4.46Å; L440-L444 HydrophobicContact CD1-CG 3.98Å; L440-L444 HydrophobicContact CG-CD1 4.11Å; L440-L444 HydrophobicContact CG-CG 4.39Å; L440-L444 WeakPolarHBondContact O-CB 3.46Å; L440-L444 WeakPolarHBondContact O-CG 3.36Å; L440-L444 PolarHBondContact O-N 2.87Å; R441-L444 CarbonylContact O-C 3.37Å; R441-L444 WeakPolarHBondContact O-CA 3.47Å; R441-L444 WeakPolarHBondContact O-CB 3.44Å; R441-L444 PolarHBondContact O-N 3.3Å; Q442-L444 PolarHBondContact O-N 3.21Å; L444-L446 HydrophobicContact CB-CD1 3.73Å; L444-L446 HydrophobicContact CB-CG 3.69Å; L444-L446 HydrophobicContact CD1-CD1 3.96Å; L444-L446 PolarHBondContact O-N 3Å; L444-I460 HydrophobicContact CD1-CG1 4.11Å; L444-T463 HydrophobicContact CD2-CG2 4.3Å; L444-R490 VanDerWaalsContact CA-CZ 3.47Å; L444-R490 VanDerWaalsContact CA-NH1 3.29Å; L444-R490 PolarHBondContact O-NH1 3.32Å; L444-R490 PolarHBondContact O-NH2 2.99Å; L444-W666 HydrophobicContact CD2-CH2 3.62Å; L444-W666 HydrophobicContact CD2-CZ3 4.07Å; L444-Y670 HydrophobicContact CD1-CE2 4.49Å; L444-Y670 HydrophobicContact CD2-CE2 3.85Å
445	D	91.2	Very high	86.9	Confident	54 Å²	54	52.4 Å²	52.4	29%	0.289	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.6	40.4	-172.4	-50.6	-47.1	0	0	0	111.5	S363 R441 Q442 V443 R490	S363-D445 WeakPolarHBondContact CB-OD1 3.2Å; S363-D445 PolarHBondContact OG-OD1 3.39Å; R441-D445 PolarHBondContact O-N 3.16Å; R441-D445 VanDerWaalsContact O-N 3.15Å; Q442-D445 PolarHBondContact O-N 3.04Å; V443-D445 VanDerWaalsContact C-N 3.33Å; D445-R490 IonicContact OD2-CZ 3.43Å; D445-R490 IonicContact OD2-NE 2.61Å; D445-R490 IonicContact OD2-NH2 3.09Å; D445-R490 PolarHBondContact OD2-NH2 3.46Å
446	L	89.4	Confident	86.7	Confident	14 Å²	14	51.1 Å²	51.1	7%	0.073	25%	0.247	C	C	.	.			trans	-103.1	122.8	178.3	-59.5	176.7	0	0	0	109.1	R441 L444 D448 T456 L459 I460	R441-L446 HydrophobicContact CB-CB 4.28Å; R441-L446 PolarHBondContact O-N 2.95Å; L444-L446 HydrophobicContact CB-CD1 3.73Å; L444-L446 HydrophobicContact CB-CG 3.69Å; L444-L446 HydrophobicContact CD1-CD1 3.96Å; L444-L446 PolarHBondContact O-N 3Å; L446-D448 PolarHBondContact O-N 2.92Å; L446-T456 HydrophobicContact CD2-CG2 4.02Å; L446-L459 HydrophobicContact CD1-CB 4.35Å; L446-L459 HydrophobicContact CD1-CD1 4.41Å; L446-L459 HydrophobicContact CD2-CD1 3.9Å; L446-I460 HydrophobicContact CD1-CD1 4.12Å; L446-I460 HydrophobicContact CD1-CG1 3.77Å
447	D	77.6	Confident	86.5	Confident	84 Å²	84	53.4 Å²	53.4	45%	0.449	26%	0.258	S	S	.	.			trans	-61.9	131.8	176	-160.2	-17.5	0	0	0	110.8	A362 D449 D450	A362-D447 HydrophobicContact CB-CB 4.28Å; D447-D449 PolarHBondContact OD1-N 3.41Å; D447-D450 WeakPolarHBondContact O-CB 3.38Å; D447-D450 PolarHBondContact O-N 3.03Å
448	D	71.9	Confident	86.4	Confident	81 Å²	81	54.1 Å²	54.1	43%	0.433	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72	-24.3	172.9	-80.4	-30.7	0	0	0	110.7	R441 L446 D450	R441-D448 WeakPolarHBondContact CD-OD1 3.15Å; L446-D448 PolarHBondContact O-N 2.92Å; D448-D450 VanDerWaalsContact C-N 3.32Å
449	D	72.1	Confident	86.5	Confident	141 Å²	141	49.2 Å²	49.2	75%	0.754	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.3	15.3	177.4	-65.9	-34.4	0	0	0	112.9	D447 E451	D447-D449 PolarHBondContact OD1-N 3.41Å; D449-E451 PolarHBondContact O-N 2.93Å; D449-E451 VanDerWaalsContact O-N 3.08Å
450	D	71.6	Confident	86.5	Confident	25 Å²	25	49.4 Å²	49.4	13%	0.134	25%	0.247	C	C	.	.			trans	-54.9	116.9	173.5	-175.7	0.7	0	0	0	110.3	D447 D448 R452 P453 T456 R681	D447-D450 WeakPolarHBondContact O-CB 3.38Å; D447-D450 PolarHBondContact O-N 3.03Å; D448-D450 VanDerWaalsContact C-N 3.32Å; D450-R452 PolarHBondContact O-N 3.39Å; D450-R452 PolarHBondContact OD1-N 2.93Å; D450-P453 WeakPolarHBondContact O-CD 3.34Å; D450-T456 WeakPolarHBondContact OD2-CG2 3.34Å; D450-T456 PolarHBondContact OD2-OG1 3.21Å; D450-R681 IonicContact OD1-CZ 2.64Å; D450-R681 IonicContact OD1-NH2 3.88Å; D450-R681 PolarHBondContact OD1-NH2 3.01Å; D450-R681 IonicContact OD2-CZ 3.06Å; D450-R681 IonicContact OD2-NH2 2.76Å; D450-R681 PolarHBondContact OD2-NH2 3.29Å
451	E	75.4	Confident	86.4	Confident	183 Å²	183	57.2 Å²	57.2	86%	0.855	28%	0.277	S	S	*	.	S	Bend	trans	-59.5	-21.1	179.2	-64.5	-175.6	169.3	0	0	112.7	D449	D449-E451 PolarHBondContact O-N 2.93Å; D449-E451 VanDerWaalsContact O-N 3.08Å
452	R	81.2	Confident	86.3	Confident	91 Å²	91	61.2 Å²	61.2	34%	0.343	29%	0.293	S	S	.	.			trans	-129.8	64.7	-176.6	-59	-62.6	-58.4	-78.9	-2.9	111.6	D450 E454 F455	D450-R452 PolarHBondContact O-N 3.39Å; D450-R452 PolarHBondContact OD1-N 2.93Å; R452-E454 VanDerWaalsContact CA-OE2 3.29Å; R452-E454 WeakPolarHBondContact CA-OE2 3.41Å; R452-E454 IonicContact CZ-OE1 3.07Å; R452-E454 IonicContact NE-OE1 3.59Å; R452-E454 PolarHBondContact NE-OE1 2.95Å; R452-E454 IonicContact NE-OE2 2.88Å; R452-E454 IonicContact NH2-OE1 3.62Å; R452-E454 PolarHBondContact NH2-OE1 3.45Å; R452-E454 PolarHBondContact O-N 2.89Å; R452-E454 VanDerWaalsContact O-N 3.1Å; R452-F455 HydrophobicContact CB-CD2 3.39Å; R452-F455 HydrophobicContact CB-CE2 3.63Å; R452-F455 HydrophobicContact CB-CG 4.29Å; R452-F455 HydrophobicContact CG-CD2 4.18Å; R452-F455 HydrophobicContact CG-CE2 3.91Å; R452-F455 VanDerWaalsContact CZ-CZ 3.49Å; R452-F455 PolarHBondContact O-N 3.3Å
453	P	82.9	Confident	86.5	Confident	60 Å²	60	59.7 Å²	59.7	39%	0.39	29%	0.285	S	S	.	.	H	α-helix	trans	-64.2	-20.3	-173.7	29	-34.8	0	0	0	112.9	D450 F455 T456 E457	D450-P453 WeakPolarHBondContact O-CD 3.34Å; P453-F455 PolarHBondContact O-N 3.35Å; P453-T456 PolarHBondContact O-N 2.9Å; P453-T456 PolarHBondContact O-OG1 2.84Å; P453-E457 WeakPolarHBondContact O-CB 3.34Å; P453-E457 PolarHBondContact O-N 2.53Å
454	E	85.7	Confident	86.4	Confident	98 Å²	98	60.6 Å²	60.6	46%	0.458	29%	0.29	S	S	.	.	H	α-helix	trans	-63.1	-22.1	174.6	70.9	-88.2	-149.5	0	0	113.4	R452 P458	R452-E454 VanDerWaalsContact CA-OE2 3.29Å; R452-E454 WeakPolarHBondContact CA-OE2 3.41Å; R452-E454 IonicContact CZ-OE1 3.07Å; R452-E454 IonicContact NE-OE1 3.59Å; R452-E454 PolarHBondContact NE-OE1 2.95Å; R452-E454 IonicContact NE-OE2 2.88Å; R452-E454 IonicContact NH2-OE1 3.62Å; R452-E454 PolarHBondContact NH2-OE1 3.45Å; R452-E454 PolarHBondContact O-N 2.89Å; R452-E454 VanDerWaalsContact O-N 3.1Å; E454-P458 WeakPolarHBondContact O-CD 3.23Å
455	F	85.9	Confident	86.3	Confident	25 Å²	25	65.6 Å²	65.6	11%	0.11	31%	0.312	C	S	.	.	H	α-helix	trans	-79.4	-33.2	175.3	-62.1	-37	0	0	0	112.1	R452 P453 P458 V677 N680 R681 C684	R452-F455 HydrophobicContact CB-CD2 3.39Å; R452-F455 HydrophobicContact CB-CE2 3.63Å; R452-F455 HydrophobicContact CB-CG 4.29Å; R452-F455 HydrophobicContact CG-CD2 4.18Å; R452-F455 HydrophobicContact CG-CE2 3.91Å; R452-F455 VanDerWaalsContact CZ-CZ 3.49Å; R452-F455 PolarHBondContact O-N 3.3Å; P453-F455 PolarHBondContact O-N 3.35Å; F455-P458 WeakPolarHBondContact O-CD 3.34Å; F455-V677 HydrophobicContact CB-CG1 3.94Å; F455-V677 WeakPolarHBondContact O-CG2 3.45Å; F455-N680 HydrophobicContact CD1-CB 3.95Å; F455-N680 HydrophobicContact CE1-CB 3.9Å; F455-N680 HydrophobicContact CG-CB 4.44Å; F455-N680 HydrophobicContact CZ-CB 4.34Å; F455-R681 HydrophobicContact CD2-CG 3.67Å; F455-R681 HydrophobicContact CE2-CG 4.12Å; F455-C684 HydrophobicContact CZ-CB 4.43Å
456	T	88.4	Confident	86.4	Confident	3 Å²	3	64.8 Å²	64.8	2%	0.018	31%	0.307	C	S	.	.	H	α-helix	trans	-91.1	-21.5	-179	50.6	0	0	0	0	112.8	L446 D450 P453 P458 L459 V677	L446-T456 HydrophobicContact CD2-CG2 4.02Å; D450-T456 WeakPolarHBondContact OD2-CG2 3.34Å; D450-T456 PolarHBondContact OD2-OG1 3.21Å; P453-T456 PolarHBondContact O-N 2.9Å; P453-T456 PolarHBondContact O-OG1 2.84Å; T456-P458 VanDerWaalsContact C-CD 3.45Å; T456-P458 VanDerWaalsContact C-N 3.35Å; T456-L459 VanDerWaalsContact O-CB 3.27Å; T456-L459 WeakPolarHBondContact O-CB 3.26Å; T456-L459 PolarHBondContact O-N 3.42Å; T456-V677 HydrophobicContact CG2-CG1 4.07Å
457	E	90.2	Very high	86.6	Confident	48 Å²	48	64.7 Å²	64.7	22%	0.224	31%	0.306	C	S	.	.	H	α-helix	trans	-51.7	-40.1	177.5	-177.2	65.5	-170.2	0	0	114.6	R441 P453 L459 I460 R461	R441-E457 IonicContact NH2-OE2 2.84Å; R441-E457 PolarHBondContact NH2-OE2 2.79Å; P453-E457 WeakPolarHBondContact O-CB 3.34Å; P453-E457 PolarHBondContact O-N 2.53Å; E457-L459 VanDerWaalsContact C-N 3.29Å; E457-L459 PolarHBondContact O-N 2.92Å; E457-I460 PolarHBondContact O-N 2.71Å; E457-R461 HydrophobicContact CG-CG 4.44Å; E457-R461 WeakPolarHBondContact O-CG 3.44Å; E457-R461 PolarHBondContact O-N 3.27Å; E457-R461 IonicContact OE1-CZ 2.69Å; E457-R461 IonicContact OE1-NE 2.79Å; E457-R461 PolarHBondContact OE1-NE 2.86Å; E457-R461 IonicContact OE1-NH2 2.68Å; E457-R461 PolarHBondContact OE1-NH2 2.9Å
458	P	91.2	Very high	87.1	Confident	48 Å²	48	63.7 Å²	63.7	31%	0.312	30%	0.298	S	S	.	.	H	α-helix	trans	-57.7	-38.1	172.9	-26.4	36.1	0	0	0	113.6	E454 F455 T456 I460 R461 Y462	E454-P458 WeakPolarHBondContact O-CD 3.23Å; F455-P458 WeakPolarHBondContact O-CD 3.34Å; T456-P458 VanDerWaalsContact C-CD 3.45Å; T456-P458 VanDerWaalsContact C-N 3.35Å; P458-I460 VanDerWaalsContact C-N 3.27Å; P458-I460 PolarHBondContact O-N 2.85Å; P458-R461 PolarHBondContact O-N 2.83Å; P458-Y462 HydrophobicContact CB-CD2 4.1Å; P458-Y462 HydrophobicContact CB-CE2 4.05Å; P458-Y462 WeakPolarHBondContact O-CB 3.26Å; P458-Y462 WeakPolarHBondContact O-CD2 3.49Å; P458-Y462 PolarHBondContact O-N 2.9Å
459	L	93.8	Very high	87.5	Confident	1 Å²	1	63.9 Å²	63.9	1%	0.005	30%	0.302	C	S	.	.	H	α-helix	trans	-59.9	-42.3	179.1	-63.5	170.1	0	0	0	110.8	L446 T456 E457 T463 Y670 L673 L674 V677	L446-L459 HydrophobicContact CD1-CB 4.35Å; L446-L459 HydrophobicContact CD1-CD1 4.41Å; L446-L459 HydrophobicContact CD2-CD1 3.9Å; T456-L459 VanDerWaalsContact O-CB 3.27Å; T456-L459 WeakPolarHBondContact O-CB 3.26Å; T456-L459 PolarHBondContact O-N 3.42Å; E457-L459 VanDerWaalsContact C-N 3.29Å; E457-L459 PolarHBondContact O-N 2.92Å; L459-T463 VanDerWaalsContact O-CB 3.27Å; L459-T463 WeakPolarHBondContact O-CB 3.39Å; L459-T463 PolarHBondContact O-N 2.84Å; L459-T463 VanDerWaalsContact O-N 3.09Å; L459-T463 PolarHBondContact O-OG1 3.25Å; L459-Y670 HydrophobicContact CB-CE2 4.22Å; L459-Y670 HydrophobicContact CD2-CD2 4.3Å; L459-Y670 HydrophobicContact CD2-CE2 3.96Å; L459-L673 HydrophobicContact CD2-CB 3.5Å; L459-L673 VanDerWaalsContact CD2-CB 3.5Å; L459-L674 HydrophobicContact CD1-CD1 4.06Å; L459-V677 HydrophobicContact CD1-CG2 3.96Å; L459-V677 HydrophobicContact CD2-CG2 4.44Å; L459-V677 HydrophobicContact CG-CG2 4.07Å
460	I	94.3	Very high	87.9	Confident	3 Å²	3	64.2 Å²	64.2	2%	0.015	29%	0.294	C	S	.	.	H	α-helix	trans	-68.4	-49.2	179.8	-58.8	165.5	0	0	0	109.7	L437 L440 R441 L444 L446 E457 P458 Y462 T463 D464	L437-I460 HydrophobicContact CD2-CG2 4.02Å; L440-I460 HydrophobicContact CD2-CG2 3.78Å; L440-I460 HydrophobicContact CG-CG2 4.36Å; R441-I460 HydrophobicContact CG-CD1 3.53Å; R441-I460 HydrophobicContact CG-CG1 4.32Å; R441-I460 VanDerWaalsContact NH2-CD1 3.27Å; L444-I460 HydrophobicContact CD1-CG1 4.11Å; L446-I460 HydrophobicContact CD1-CD1 4.12Å; L446-I460 HydrophobicContact CD1-CG1 3.77Å; E457-I460 PolarHBondContact O-N 2.71Å; P458-I460 VanDerWaalsContact C-N 3.27Å; P458-I460 PolarHBondContact O-N 2.85Å; I460-Y462 PolarHBondContact O-N 3.38Å; I460-T463 PolarHBondContact O-N 3.46Å; I460-D464 WeakPolarHBondContact O-CB 3.41Å; I460-D464 PolarHBondContact O-N 3.17Å
461	R	92.9	Very high	88.3	Confident	164 Å²	164	71.6 Å²	71.6	62%	0.619	33%	0.327	S	S	*	.	H	α-helix	trans	-62	-45.9	-178.5	-71.7	-178.7	-174.5	-106.2	-8.4	112.9	E457 P458 F465	E457-R461 HydrophobicContact CG-CG 4.44Å; E457-R461 WeakPolarHBondContact O-CG 3.44Å; E457-R461 PolarHBondContact O-N 3.27Å; E457-R461 IonicContact OE1-CZ 2.69Å; E457-R461 IonicContact OE1-NE 2.79Å; E457-R461 PolarHBondContact OE1-NE 2.86Å; E457-R461 IonicContact OE1-NH2 2.68Å; E457-R461 PolarHBondContact OE1-NH2 2.9Å; P458-R461 PolarHBondContact O-N 2.83Å; R461-F465 WeakPolarHBondContact O-CB 3.47Å; R461-F465 PolarHBondContact O-N 3.31Å
462	Y	94.1	Very high	88.5	Confident	128 Å²	128	70.2 Å²	70.2	50%	0.502	32%	0.321	S	S	.	.	H	α-helix	trans	-69.8	-35.7	179.6	-73.7	-63.1	0	0	0	112	P458 I460 E466 L673	P458-Y462 HydrophobicContact CB-CD2 4.1Å; P458-Y462 HydrophobicContact CB-CE2 4.05Å; P458-Y462 WeakPolarHBondContact O-CB 3.26Å; P458-Y462 WeakPolarHBondContact O-CD2 3.49Å; P458-Y462 PolarHBondContact O-N 2.9Å; I460-Y462 PolarHBondContact O-N 3.38Å; Y462-E466 PolarHBondContact O-N 3.31Å; Y462-L673 HydrophobicContact CD2-CD1 3.78Å; Y462-L673 HydrophobicContact CD2-CD2 3.83Å; Y462-L673 HydrophobicContact CD2-CG 4.49Å; Y462-L673 HydrophobicContact CE2-CD2 3.98Å; Y462-L673 HydrophobicContact CG-CD1 4.03Å
463	T	96	Very high	88.7	Confident	0 Å²	0	73.2 Å²	73.2	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-66.4	-48.8	174.3	-54.8	0	0	0	0	110.9	L440 L444 L459 I460 F465 E466 Y467 I486 F665 W666	L440-T463 HydrophobicContact CD1-CG2 4.29Å; L444-T463 HydrophobicContact CD2-CG2 4.3Å; L459-T463 VanDerWaalsContact O-CB 3.27Å; L459-T463 WeakPolarHBondContact O-CB 3.39Å; L459-T463 PolarHBondContact O-N 2.84Å; L459-T463 VanDerWaalsContact O-N 3.09Å; L459-T463 PolarHBondContact O-OG1 3.25Å; I460-T463 PolarHBondContact O-N 3.46Å; T463-F465 VanDerWaalsContact C-N 3.29Å; T463-F465 PolarHBondContact O-N 2.98Å; T463-E466 PolarHBondContact O-N 3.25Å; T463-Y467 WeakPolarHBondContact O-CD2 3.16Å; T463-Y467 PolarHBondContact O-N 2.76Å; T463-I486 HydrophobicContact CG2-CD1 4.05Å; T463-I486 HydrophobicContact CG2-CG1 4.23Å; T463-I486 HydrophobicContact CG2-CG2 3.93Å; T463-F665 HydrophobicContact CG2-CE1 4.28Å; T463-W666 HydrophobicContact CG2-CH2 3.94Å; T463-W666 HydrophobicContact CG2-CZ2 4.08Å
464	D	93.6	Very high	88.9	Confident	19 Å²	19	73.1 Å²	73.1	10%	0.102	34%	0.342	C	S	.	.	H	α-helix	trans	-59.5	-41.8	177.9	-172.5	42.4	0	0	0	111.5	Y436 L440 I460 Y467 Q468 R482	Y436-D464 VanDerWaalsContact CE1-OD1 3.26Å; Y436-D464 WeakPolarHBondContact CE1-OD1 3.45Å; Y436-D464 PolarHBondContact OH-OD1 3.37Å; L440-D464 HydrophobicContact CD2-CB 4.29Å; I460-D464 WeakPolarHBondContact O-CB 3.41Å; I460-D464 PolarHBondContact O-N 3.17Å; D464-Y467 PolarHBondContact O-N 2.72Å; D464-Q468 WeakPolarHBondContact O-CB 3.34Å; D464-Q468 PolarHBondContact O-N 3.03Å; D464-R482 WeakPolarHBondContact OD1-CD 3.46Å; D464-R482 IonicContact OD1-CZ 3.77Å; D464-R482 IonicContact OD1-NE 3.99Å; D464-R482 IonicContact OD1-NH1 3.86Å; D464-R482 PolarHBondContact OD1-NH1 3.37Å; D464-R482 IonicContact OD2-NH1 2.69Å
465	F	92.5	Very high	89.2	Confident	108 Å²	108	71.3 Å²	71.3	47%	0.474	34%	0.338	S	S	.	.	H	α-helix	trans	-61.1	-42.5	175.5	178.1	-93.5	0	0	0	112.6	R461 T463 Y467 Q468 Y470	R461-F465 WeakPolarHBondContact O-CB 3.47Å; R461-F465 PolarHBondContact O-N 3.31Å; T463-F465 VanDerWaalsContact C-N 3.29Å; T463-F465 PolarHBondContact O-N 2.98Å; F465-Y467 PolarHBondContact O-N 3.39Å; F465-Q468 PolarHBondContact O-N 3.4Å; F465-Y470 WeakPolarHBondContact CD2-OH 3.45Å; F465-Y470 WeakPolarHBondContact CE2-OH 3.37Å
466	E	93	Very high	89.5	Confident	36 Å²	36	73.2 Å²	73.2	17%	0.168	35%	0.349	C	S	.	.	H	α-helix	trans	-64.6	-30.1	-178.3	-94.9	-66	-157.1	0	0	113.7	Y462 T463 R661 F665	Y462-E466 PolarHBondContact O-N 3.31Å; T463-E466 PolarHBondContact O-N 3.25Å; E466-R661 IonicContact OE1-NE 3.16Å; E466-R661 IonicContact OE2-CZ 2.72Å; E466-R661 IonicContact OE2-NE 2.7Å; E466-R661 PolarHBondContact OE2-NE 2.77Å; E466-R661 IonicContact OE2-NH2 3.58Å; E466-R661 PolarHBondContact OE2-NH2 2.7Å; E466-F665 HydrophobicContact CG-CB 4.33Å; E466-F665 HydrophobicContact CG-CD2 3.66Å; E466-F665 HydrophobicContact CG-CE2 4.06Å; E466-F665 HydrophobicContact CG-CG 3.97Å
467	Y	94	Very high	89.7	Confident	13 Å²	13	77.9 Å²	77.9	5%	0.051	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.5	2.3	179.5	-72.2	-102.3	0	0	0	113.4	T463 D464 F465 T469 E485 I486 D489 Q662 W666	T463-Y467 WeakPolarHBondContact O-CD2 3.16Å; T463-Y467 PolarHBondContact O-N 2.76Å; D464-Y467 PolarHBondContact O-N 2.72Å; F465-Y467 PolarHBondContact O-N 3.39Å; Y467-T469 PolarHBondContact O-N 2.94Å; Y467-E485 HydrophobicContact CD1-CB 3.81Å; Y467-E485 HydrophobicContact CE1-CB 3.82Å; Y467-I486 HydrophobicContact CD1-CG1 3.72Å; Y467-I486 HydrophobicContact CD2-CD1 4.15Å; Y467-I486 HydrophobicContact CD2-CG1 3.49Å; Y467-I486 VanDerWaalsContact CD2-CG1 3.49Å; Y467-I486 HydrophobicContact CE1-CG1 3.98Å; Y467-I486 HydrophobicContact CE2-CG1 3.78Å; Y467-I486 HydrophobicContact CG-CD1 4.09Å; Y467-I486 HydrophobicContact CG-CG1 3.46Å; Y467-I486 VanDerWaalsContact CG-CG1 3.46Å; Y467-D489 VanDerWaalsContact CE1-OD2 3.25Å; Y467-D489 WeakPolarHBondContact CE1-OD2 3Å; Y467-D489 WeakPolarHBondContact OH-CB 3.44Å; Y467-D489 VanDerWaalsContact OH-CG 3.26Å; Y467-D489 PolarHBondContact OH-OD2 3.49Å; Y467-Q662 HydrophobicContact CE1-CG 3.92Å; Y467-Q662 HydrophobicContact CE2-CG 4.42Å; Y467-Q662 WeakPolarHBondContact OH-CB 3.12Å; Y467-W666 HydrophobicContact CE2-CZ2 4.34Å; Y467-W666 AromaticContact CZ-NE1 3.91Å; Y467-W666 PolarHBondContact OH-NE1 3.47Å
468	Q	88.1	Confident	89.8	Confident	63 Å²	63	76.7 Å²	76.7	29%	0.294	37%	0.368	S	S	.	.			trans	-71.3	121.9	178.7	-175	164.9	10.7	0	0	111.1	D464 F465 Y470	D464-Q468 WeakPolarHBondContact O-CB 3.34Å; D464-Q468 PolarHBondContact O-N 3.03Å; F465-Q468 PolarHBondContact O-N 3.4Å; Q468-Y470 HydrophobicContact CG-CD1 4.35Å; Q468-Y470 HydrophobicContact CG-CE1 3.95Å; Q468-Y470 HydrophobicContact CG-CE2 4.47Å
469	T	81.5	Confident	89.9	Confident	84 Å²	84	76.2 Å²	76.2	52%	0.515	36%	0.36	S	S	.	.			trans	-89.1	123.4	167.5	55	0	0	0	0	109	Y467 Q471	Y467-T469 PolarHBondContact O-N 2.94Å; T469-Q471 VanDerWaalsContact C-N 3.32Å
470	Y	79.4	Confident	89.9	Confident	149 Å²	149	76.3 Å²	76.3	58%	0.584	36%	0.361	S	S	*	.	S	Bend	trans	-89.6	4.2	-178.6	-65.6	-76.6	0	0	0	113.7	F465 Q468	F465-Y470 WeakPolarHBondContact CD2-OH 3.45Å; F465-Y470 WeakPolarHBondContact CE2-OH 3.37Å; Q468-Y470 HydrophobicContact CG-CD1 4.35Å; Q468-Y470 HydrophobicContact CG-CE1 3.95Å; Q468-Y470 HydrophobicContact CG-CE2 4.47Å
471	Q	79.9	Confident	89.9	Confident	179 Å²	179	82.2 Å²	82.2	84%	0.836	39%	0.388	S	S	*	.	S	Bend	trans	-79.7	-22.2	-175.5	-68.7	179.7	-16.2	0	0	113	T469	T469-Q471 VanDerWaalsContact C-N 3.32Å
472	Q	79.6	Confident	90	Very high	154 Å²	154	75 Å²	75	72%	0.72	36%	0.361	S	S	*	.	S	Bend	trans	-144.5	154.7	-174.8	-61.7	-178.9	11.3	0	0	111
473	L	85.6	Confident	90.1	Very high	154 Å²	154	69 Å²	69	81%	0.806	34%	0.337	S	S	*	.			trans	-65.4	143.5	170.8	-71.2	173.2	0	0	0	109.8	T475	L473-T475 PolarHBondContact O-N 3.2Å
474	P	88.1	Confident	90.2	Very high	58 Å²	58	69.3 Å²	69.3	38%	0.377	34%	0.339	S	S	.	.			trans	-61.6	127.8	178.7	-22.8	33.3	0	0	0	112.7	S478 W479	P474-S478 WeakPolarHBondContact CA-OG 3.49Å; P474-W479 HydrophobicContact CB-CD2 4.42Å; P474-W479 HydrophobicContact CB-CH2 4.34Å; P474-W479 HydrophobicContact CB-CZ2 3.52Å
475	T	91.7	Very high	90.3	Very high	60 Å²	60	71.8 Å²	71.8	37%	0.368	35%	0.35	S	S	.	.			trans	-113.6	171.6	169.3	77.3	0	0	0	0	111.2	L473 E477 S478 W479	L473-T475 PolarHBondContact O-N 3.2Å; T475-E477 VanDerWaalsContact C-N 3.28Å; T475-E477 VanDerWaalsContact CB-OE2 3.27Å; T475-E477 WeakPolarHBondContact CB-OE2 3.3Å; T475-E477 PolarHBondContact O-N 3.43Å; T475-E477 PolarHBondContact OG1-N 2.99Å; T475-E477 PolarHBondContact OG1-OE2 3.28Å; T475-S478 PolarHBondContact N-OG 3.33Å; T475-S478 PolarHBondContact O-N 3.17Å; T475-S478 PolarHBondContact O-OG 2.89Å; T475-S478 PolarHBondContact OG1-N 3.18Å; T475-S478 VanDerWaalsContact OG1-N 3.15Å; T475-W479 PolarHBondContact O-N 3.26Å
476	L	91.9	Very high	90.6	Very high	65 Å²	65	66.7 Å²	66.7	34%	0.34	33%	0.327	S	S	.	.	H	α-helix	trans	-58.6	-40.8	174.8	-61.5	-177.9	0	0	0	112.3	L428 T431 W479 T480	L428-L476 HydrophobicContact CD1-CB 3.75Å; T431-L476 WeakPolarHBondContact O-CD2 3.46Å; L476-W479 HydrophobicContact CD2-CE3 4.01Å; L476-W479 HydrophobicContact CD2-CZ3 3.99Å; L476-W479 PolarHBondContact O-N 3.05Å; L476-T480 WeakPolarHBondContact O-CB 3.27Å; L476-T480 PolarHBondContact O-N 3.43Å; L476-T480 PolarHBondContact O-OG1 2.72Å
477	E	91.9	Very high	90.8	Very high	102 Å²	102	65 Å²	65	48%	0.477	32%	0.319	S	S	.	.	H	α-helix	trans	-62.2	-49.8	175.1	-59.4	72.4	-161.9	0	0	109.7	L428 T475 W479 T480 E481	L428-E477 HydrophobicContact CD1-CG 4.04Å; T475-E477 VanDerWaalsContact C-N 3.28Å; T475-E477 VanDerWaalsContact CB-OE2 3.27Å; T475-E477 WeakPolarHBondContact CB-OE2 3.3Å; T475-E477 PolarHBondContact O-N 3.43Å; T475-E477 PolarHBondContact OG1-N 2.99Å; T475-E477 PolarHBondContact OG1-OE2 3.28Å; E477-W479 VanDerWaalsContact C-N 3.3Å; E477-W479 PolarHBondContact O-N 3.37Å; E477-T480 WeakPolarHBondContact O-CB 3.05Å; E477-T480 PolarHBondContact O-N 2.9Å; E477-T480 VanDerWaalsContact O-N 3.09Å; E477-E481 WeakPolarHBondContact O-CB 3.32Å; E477-E481 WeakPolarHBondContact O-CG 3.48Å; E477-E481 PolarHBondContact O-N 3.17Å
478	S	92.2	Very high	91	Very high	22 Å²	22	64.3 Å²	64.3	15%	0.154	32%	0.317	C	S	.	.	H	α-helix	trans	-63.3	-33.6	-178.5	79.6	0	0	0	0	113.1	P474 T475 R482	P474-S478 WeakPolarHBondContact CA-OG 3.49Å; T475-S478 PolarHBondContact N-OG 3.33Å; T475-S478 PolarHBondContact O-N 3.17Å; T475-S478 PolarHBondContact O-OG 2.89Å; T475-S478 PolarHBondContact OG1-N 3.18Å; T475-S478 VanDerWaalsContact OG1-N 3.15Å; S478-R482 WeakPolarHBondContact O-CB 3.48Å; S478-R482 PolarHBondContact O-N 2.03Å
479	W	93.9	Very high	91.5	Very high	38 Å²	38	61.3 Å²	61.3	14%	0.144	30%	0.303	C	S	.	.	H	α-helix	trans	-72.6	-38.1	174.4	-74.9	-45.9	0	0	0	111.9	I430 R433 Y436 P474 T475 L476 E477 R482 L483	I430-W479 HydrophobicContact CG2-CB 3.96Å; I430-W479 HydrophobicContact CG2-CE3 4.43Å; R433-W479 HydrophobicContact CB-CH2 3.86Å; R433-W479 HydrophobicContact CB-CZ2 3.74Å; R433-W479 HydrophobicContact CB-CZ3 4.43Å; R433-W479 HydrophobicContact CG-CZ2 4Å; Y436-W479 AromaticContact CD1-CD1 3.86Å; Y436-W479 HydrophobicContact CD1-CG 4.43Å; Y436-W479 HydrophobicContact CD2-CB 3.97Å; Y436-W479 HydrophobicContact CD2-CG 4.37Å; Y436-W479 HydrophobicContact CG-CB 4.07Å; Y436-W479 AromaticContact CG-CD1 3.9Å; Y436-W479 HydrophobicContact CG-CG 4.07Å; P474-W479 HydrophobicContact CB-CD2 4.42Å; P474-W479 HydrophobicContact CB-CH2 4.34Å; P474-W479 HydrophobicContact CB-CZ2 3.52Å; T475-W479 PolarHBondContact O-N 3.26Å; L476-W479 HydrophobicContact CD2-CE3 4.01Å; L476-W479 HydrophobicContact CD2-CZ3 3.99Å; L476-W479 PolarHBondContact O-N 3.05Å; E477-W479 VanDerWaalsContact C-N 3.3Å; E477-W479 PolarHBondContact O-N 3.37Å; W479-R482 PolarHBondContact O-N 3.01Å; W479-L483 WeakPolarHBondContact O-CB 3.33Å; W479-L483 PolarHBondContact O-N 2.93Å
480	T	94.2	Very high	92.2	Very high	4 Å²	4	58.8 Å²	58.8	3%	0.025	28%	0.284	C	S	.	.	H	α-helix	trans	-64.1	-49	175.4	-59.9	0	0	0	0	110.8	L428 P429 L476 E477 R482 L483 E484 W537	L428-T480 HydrophobicContact CD2-CG2 4.22Å; P429-T480 HydrophobicContact CG-CG2 3.71Å; L476-T480 WeakPolarHBondContact O-CB 3.27Å; L476-T480 PolarHBondContact O-N 3.43Å; L476-T480 PolarHBondContact O-OG1 2.72Å; E477-T480 WeakPolarHBondContact O-CB 3.05Å; E477-T480 PolarHBondContact O-N 2.9Å; E477-T480 VanDerWaalsContact O-N 3.09Å; T480-R482 VanDerWaalsContact C-N 3.32Å; T480-R482 PolarHBondContact O-N 3.08Å; T480-L483 PolarHBondContact O-N 2.87Å; T480-E484 WeakPolarHBondContact O-CB 3.09Å; T480-E484 PolarHBondContact O-N 3Å; T480-W537 HydrophobicContact CG2-CD2 4.18Å; T480-W537 HydrophobicContact CG2-CE3 3.85Å; T480-W537 HydrophobicContact CG2-CZ3 4.37Å
481	E	94.4	Very high	93	Very high	126 Å²	126	51.7 Å²	51.7	59%	0.589	26%	0.256	S	S	*	.	H	α-helix	trans	-58.7	-43.9	175.7	-72.3	175.6	177.1	0	0	111.3	E477 E484 E485	E477-E481 WeakPolarHBondContact O-CB 3.32Å; E477-E481 WeakPolarHBondContact O-CG 3.48Å; E477-E481 PolarHBondContact O-N 3.17Å; E481-E484 WeakPolarHBondContact O-CB 3.21Å; E481-E484 PolarHBondContact O-N 3.19Å; E481-E485 WeakPolarHBondContact O-CG 3.42Å; E481-E485 PolarHBondContact O-N 3.18Å
482	R	94.9	Very high	93.9	Very high	14 Å²	14	43.1 Å²	43.1	5%	0.053	22%	0.216	C	C	.	.	H	α-helix	trans	-61.4	-47.1	177.3	-171.5	-177.9	-62.3	176	7.4	112.2	Y436 D464 S478 W479 T480 E484 E485 I486	Y436-R482 HydrophobicContact CE2-CB 4.41Å; Y436-R482 HydrophobicContact CE2-CG 4.42Å; Y436-R482 WeakPolarHBondContact OH-CD 3.15Å; D464-R482 WeakPolarHBondContact OD1-CD 3.46Å; D464-R482 IonicContact OD1-CZ 3.77Å; D464-R482 IonicContact OD1-NE 3.99Å; D464-R482 IonicContact OD1-NH1 3.86Å; D464-R482 PolarHBondContact OD1-NH1 3.37Å; D464-R482 IonicContact OD2-NH1 2.69Å; S478-R482 WeakPolarHBondContact O-CB 3.48Å; S478-R482 PolarHBondContact O-N 2.03Å; W479-R482 PolarHBondContact O-N 3.01Å; T480-R482 VanDerWaalsContact C-N 3.32Å; T480-R482 PolarHBondContact O-N 3.08Å; R482-E484 VanDerWaalsContact C-N 3.3Å; R482-E484 PolarHBondContact O-N 2.91Å; R482-E485 PolarHBondContact O-N 2.87Å; R482-I486 HydrophobicContact CG-CD1 3.95Å; R482-I486 VanDerWaalsContact O-CG1 3.24Å; R482-I486 WeakPolarHBondContact O-CG1 3.4Å; R482-I486 PolarHBondContact O-N 3.36Å
483	L	96.2	Very high	94.8	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-64.1	-38.5	178.2	-172	67.7	0	0	0	111.5	L411 F415 I430 Y436 C439 L440 V443 W479 T480 I486 S487	L411-L483 HydrophobicContact CD1-CB 4.35Å; L411-L483 HydrophobicContact CD1-CD2 4.23Å; L411-L483 HydrophobicContact CD1-CG 4.04Å; L411-L483 HydrophobicContact CD2-CD2 3.88Å; L411-L483 HydrophobicContact CD2-CG 3.92Å; F415-L483 HydrophobicContact CD2-CD2 4.32Å; F415-L483 HydrophobicContact CE2-CD2 4.18Å; I430-L483 HydrophobicContact CD1-CD2 3.83Å; I430-L483 HydrophobicContact CG1-CD2 4.34Å; Y436-L483 HydrophobicContact CD2-CB 4.14Å; Y436-L483 HydrophobicContact CE2-CB 4Å; Y436-L483 HydrophobicContact CE2-CD1 4.29Å; C439-L483 HydrophobicContact CB-CD1 4.41Å; C439-L483 HydrophobicContact CB-CD2 3.51Å; L440-L483 HydrophobicContact CB-CD1 4.13Å; L440-L483 HydrophobicContact CD1-CD1 4.34Å; V443-L483 HydrophobicContact CB-CD1 4.39Å; V443-L483 HydrophobicContact CG2-CD1 3.86Å; V443-L483 HydrophobicContact CG2-CG 4.41Å; W479-L483 WeakPolarHBondContact O-CB 3.33Å; W479-L483 PolarHBondContact O-N 2.93Å; T480-L483 PolarHBondContact O-N 2.87Å; L483-I486 PolarHBondContact O-N 3.31Å; L483-S487 WeakPolarHBondContact O-CB 3.46Å; L483-S487 PolarHBondContact O-N 3.12Å; L483-S487 PolarHBondContact O-OG 3.48Å
484	E	96.6	Very high	95.4	Very high	8 Å²	8	28.9 Å²	28.9	4%	0.037	15%	0.145	C	C	.	.	H	α-helix	trans	-59.7	-51	173.4	-170.5	-72.3	120.8	0	0	110.6	N405 L411 T480 E481 R482 I486 S487 S488	N405-E484 WeakPolarHBondContact CA-OE1 3.41Å; N405-E484 HydrophobicContact CB-CG 4.4Å; N405-E484 PolarHBondContact ND2-OE2 3.44Å; L411-E484 HydrophobicContact CD1-CB 3.96Å; T480-E484 WeakPolarHBondContact O-CB 3.09Å; T480-E484 PolarHBondContact O-N 3Å; E481-E484 WeakPolarHBondContact O-CB 3.21Å; E481-E484 PolarHBondContact O-N 3.19Å; R482-E484 VanDerWaalsContact C-N 3.3Å; R482-E484 PolarHBondContact O-N 2.91Å; E484-I486 VanDerWaalsContact C-N 3.35Å; E484-I486 PolarHBondContact O-N 3.16Å; E484-S487 PolarHBondContact O-N 2.98Å; E484-S487 PolarHBondContact O-OG 3.09Å; E484-S488 WeakPolarHBondContact O-CB 3.48Å; E484-S488 PolarHBondContact O-N 2.79Å; E484-S488 PolarHBondContact O-OG 3.46Å; E484-S488 WeakPolarHBondContact OE1-CB 3.42Å; E484-S488 PolarHBondContact OE1-OG 3.33Å
485	E	97.2	Very high	95.8	Very high	71 Å²	71	26.6 Å²	26.6	33%	0.332	13%	0.13	S	C	.	.	H	α-helix	trans	-60.8	-42.3	178.5	-73.6	-160.4	-173.2	0	0	112.9	Y467 E481 R482 D489 R659	Y467-E485 HydrophobicContact CD1-CB 3.81Å; Y467-E485 HydrophobicContact CE1-CB 3.82Å; E481-E485 WeakPolarHBondContact O-CG 3.42Å; E481-E485 PolarHBondContact O-N 3.18Å; R482-E485 PolarHBondContact O-N 2.87Å; E485-D489 VanDerWaalsContact O-CB 3.32Å; E485-D489 WeakPolarHBondContact O-CB 3.45Å; E485-D489 PolarHBondContact O-N 2.93Å; E485-R659 IonicContact OE2-CZ 3.45Å; E485-R659 IonicContact OE2-NH1 3.97Å; E485-R659 PolarHBondContact OE2-NH1 3.47Å; E485-R659 IonicContact OE2-NH2 2.87Å; E485-R659 PolarHBondContact OE2-NH2 3.41Å
486	I	97.8	Very high	96.1	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-61.5	-50.9	177.7	-70.9	166.9	0	0	0	110.4	L440 V443 T463 Y467 R482 L483 E484 D489 R490 W666	L440-I486 HydrophobicContact CD1-CD1 3.91Å; L440-I486 HydrophobicContact CD1-CG2 3.82Å; V443-I486 HydrophobicContact CG1-CG2 3.91Å; T463-I486 HydrophobicContact CG2-CD1 4.05Å; T463-I486 HydrophobicContact CG2-CG1 4.23Å; T463-I486 HydrophobicContact CG2-CG2 3.93Å; Y467-I486 HydrophobicContact CD1-CG1 3.72Å; Y467-I486 HydrophobicContact CD2-CD1 4.15Å; Y467-I486 HydrophobicContact CD2-CG1 3.49Å; Y467-I486 VanDerWaalsContact CD2-CG1 3.49Å; Y467-I486 HydrophobicContact CE1-CG1 3.98Å; Y467-I486 HydrophobicContact CE2-CG1 3.78Å; Y467-I486 HydrophobicContact CG-CD1 4.09Å; Y467-I486 HydrophobicContact CG-CG1 3.46Å; Y467-I486 VanDerWaalsContact CG-CG1 3.46Å; R482-I486 HydrophobicContact CG-CD1 3.95Å; R482-I486 VanDerWaalsContact O-CG1 3.24Å; R482-I486 WeakPolarHBondContact O-CG1 3.4Å; R482-I486 PolarHBondContact O-N 3.36Å; L483-I486 PolarHBondContact O-N 3.31Å; E484-I486 VanDerWaalsContact C-N 3.35Å; E484-I486 PolarHBondContact O-N 3.16Å; I486-D489 PolarHBondContact O-N 3.12Å; I486-R490 VanDerWaalsContact O-CB 3.27Å; I486-R490 WeakPolarHBondContact O-CB 3.21Å; I486-R490 PolarHBondContact O-N 2.94Å; I486-W666 HydrophobicContact CG2-CH2 4.32Å; I486-W666 HydrophobicContact CG2-CZ2 4Å
487	S	97.4	Very high	96.4	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-65.4	-41.1	-179.1	57.4	0	0	0	0	112	G407 L483 E484 S491	G407-S487 WeakPolarHBondContact CA-OG 3.19Å; L483-S487 WeakPolarHBondContact O-CB 3.46Å; L483-S487 PolarHBondContact O-N 3.12Å; L483-S487 PolarHBondContact O-OG 3.48Å; E484-S487 PolarHBondContact O-N 2.98Å; E484-S487 PolarHBondContact O-OG 3.09Å; S487-S491 WeakPolarHBondContact O-CB 3.25Å; S487-S491 PolarHBondContact O-N 3.36Å
488	S	98.4	Very high	96.5	Very high	0 Å²	0	17 Å²	17	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-55.3	-53.5	171.9	-96.6	0	0	0	0	112.5	E406 G407 E484 F492 K493	E406-S488 WeakPolarHBondContact CB-OG 3.05Å; E406-S488 PolarHBondContact N-OG 3.13Å; G407-S488 PolarHBondContact N-OG 2.67Å; E484-S488 WeakPolarHBondContact O-CB 3.48Å; E484-S488 PolarHBondContact O-N 2.79Å; E484-S488 PolarHBondContact O-OG 3.46Å; E484-S488 WeakPolarHBondContact OE1-CB 3.42Å; E484-S488 PolarHBondContact OE1-OG 3.33Å; S488-F492 PolarHBondContact O-N 3.11Å; S488-F492 VanDerWaalsContact O-N 3.16Å; S488-K493 PolarHBondContact O-N 3.14Å
489	D	98.3	Very high	96.6	Very high	0 Å²	0	16 Å²	16	0%	0	7%	0.073	C	C	.	.	I	π-helix	trans	-69.6	-44.4	-174.6	-77.4	-19.8	0	0	0	111.8	Y467 E485 I486 K493 C494 P495 R659 Q662	Y467-D489 VanDerWaalsContact CE1-OD2 3.25Å; Y467-D489 WeakPolarHBondContact CE1-OD2 3Å; Y467-D489 WeakPolarHBondContact OH-CB 3.44Å; Y467-D489 VanDerWaalsContact OH-CG 3.26Å; Y467-D489 PolarHBondContact OH-OD2 3.49Å; E485-D489 VanDerWaalsContact O-CB 3.32Å; E485-D489 WeakPolarHBondContact O-CB 3.45Å; E485-D489 PolarHBondContact O-N 2.93Å; I486-D489 PolarHBondContact O-N 3.12Å; D489-K493 WeakPolarHBondContact OD1-CD 3.46Å; D489-C494 WeakPolarHBondContact O-CB 3.32Å; D489-C494 PolarHBondContact O-N 3.45Å; D489-P495 WeakPolarHBondContact O-CD 3.5Å; D489-R659 IonicContact OD1-CZ 3.58Å; D489-R659 IonicContact OD1-NE 3.11Å; D489-R659 PolarHBondContact OD1-NE 3.2Å; D489-R659 VanDerWaalsContact OD1-NE 3.09Å; D489-R659 IonicContact OD1-NH2 3.85Å; D489-R659 IonicContact OD2-CZ 3.51Å; D489-R659 IonicContact OD2-NE 3.37Å; D489-R659 PolarHBondContact OD2-NE 3.48Å; D489-R659 VanDerWaalsContact OD2-NE 3.13Å; D489-R659 IonicContact OD2-NH2 2.75Å; D489-R659 PolarHBondContact OD2-NH2 3.18Å; D489-Q662 WeakPolarHBondContact OD2-CB 3.27Å; D489-Q662 WeakPolarHBondContact OD2-CG 3.44Å
490	R	96.6	Very high	96.7	Very high	30 Å²	30	14.2 Å²	14.2	11%	0.113	7%	0.066	C	C	.	.	I	π-helix	trans	-59.7	-52.3	-179.5	179.1	-173.9	171.3	113.1	-11.8	111.6	V443 L444 D445 I486 P495 W666 Y670	V443-R490 WeakPolarHBondContact O-CD 2.83Å; V443-R490 VanDerWaalsContact O-CZ 3.3Å; V443-R490 PolarHBondContact O-NE 3.28Å; L444-R490 VanDerWaalsContact CA-CZ 3.47Å; L444-R490 VanDerWaalsContact CA-NH1 3.29Å; L444-R490 PolarHBondContact O-NH1 3.32Å; L444-R490 PolarHBondContact O-NH2 2.99Å; D445-R490 IonicContact OD2-CZ 3.43Å; D445-R490 IonicContact OD2-NE 2.61Å; D445-R490 IonicContact OD2-NH2 3.09Å; D445-R490 PolarHBondContact OD2-NH2 3.46Å; I486-R490 VanDerWaalsContact O-CB 3.27Å; I486-R490 WeakPolarHBondContact O-CB 3.21Å; I486-R490 PolarHBondContact O-N 2.94Å; R490-P495 WeakPolarHBondContact O-CD 3.48Å; R490-P495 VanDerWaalsContact O-CG 3.3Å; R490-P495 WeakPolarHBondContact O-CG 3.33Å; R490-W666 HydrophobicContact CB-CD2 4.33Å; R490-W666 HydrophobicContact CB-CE3 4.41Å; R490-W666 HydrophobicContact CB-CH2 3.95Å; R490-W666 HydrophobicContact CB-CZ2 3.85Å; R490-W666 HydrophobicContact CB-CZ3 4.23Å; R490-W666 HydrophobicContact CG-CE3 4.25Å; R490-W666 HydrophobicContact CG-CH2 4.1Å; R490-W666 HydrophobicContact CG-CZ2 4.48Å; R490-W666 HydrophobicContact CG-CZ3 3.98Å; R490-Y670 PolarHBondContact NH1-OH 3.31Å
491	S	96.7	Very high	96.7	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	7%	0.066	C	C	.	.	I	π-helix	trans	-94.2	-25.7	-163.8	-58.7	0	0	0	0	113.7	S308 W310 Y364 S487	S308-S491 PolarHBondContact OG-O 2.82Å; W310-S491 PolarHBondContact NE1-O 3.05Å; Y364-S491 WeakPolarHBondContact OH-CB 3.35Å; Y364-S491 PolarHBondContact OH-OG 2.74Å; S487-S491 WeakPolarHBondContact O-CB 3.25Å; S487-S491 PolarHBondContact O-N 3.36Å
492	F	98.2	Very high	96.5	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.048	C	C	.	.	I	π-helix	trans	-131.6	-59.6	-170	-57.9	-77.8	0	0	0	113.3	S303 W310 F365 E406 F410 S488 T496 H542	S303-F492 WeakPolarHBondContact O-CD1 3.45Å; W310-F492 AromaticContact CE2-CE1 3.76Å; W310-F492 HydrophobicContact CH2-CE1 4.38Å; W310-F492 AromaticContact CZ2-CD1 3.82Å; W310-F492 HydrophobicContact CZ2-CD1 3.82Å; W310-F492 AromaticContact CZ2-CE1 3.42Å; W310-F492 HydrophobicContact CZ2-CE1 3.42Å; W310-F492 VanDerWaalsContact CZ2-CE1 3.42Å; W310-F492 HydrophobicContact CZ2-CZ 4.4Å; W310-F492 AromaticContact NE1-CE1 3.74Å; F365-F492 HydrophobicContact CD1-CZ 4.33Å; F365-F492 HydrophobicContact CE1-CZ 4.01Å; E406-F492 HydrophobicContact CB-CB 3.7Å; E406-F492 HydrophobicContact CB-CD2 3.76Å; E406-F492 HydrophobicContact CB-CG 3.91Å; E406-F492 HydrophobicContact CG-CB 3.68Å; E406-F492 HydrophobicContact CG-CG 4.37Å; F410-F492 AromaticContact CD2-CE2 3.58Å; F410-F492 HydrophobicContact CD2-CE2 3.58Å; F410-F492 AromaticContact CD2-CZ 3.84Å; F410-F492 HydrophobicContact CD2-CZ 3.84Å; F410-F492 HydrophobicContact CE1-CZ 4.07Å; F410-F492 HydrophobicContact CE2-CD2 4.28Å; F410-F492 HydrophobicContact CE2-CE1 4.02Å; F410-F492 AromaticContact CE2-CE2 3.27Å; F410-F492 HydrophobicContact CE2-CE2 3.27Å; F410-F492 AromaticContact CE2-CZ 3.12Å; F410-F492 HydrophobicContact CE2-CZ 3.12Å; F410-F492 HydrophobicContact CG-CE2 4.43Å; F410-F492 HydrophobicContact CZ-CE1 4Å; F410-F492 AromaticContact CZ-CE2 3.92Å; F410-F492 HydrophobicContact CZ-CE2 3.92Å; F410-F492 AromaticContact CZ-CZ 3.26Å; F410-F492 HydrophobicContact CZ-CZ 3.26Å; S488-F492 PolarHBondContact O-N 3.11Å; S488-F492 VanDerWaalsContact O-N 3.16Å; F492-T496 VanDerWaalsContact O-CB 3.31Å; F492-T496 WeakPolarHBondContact O-CB 3.41Å; F492-T496 PolarHBondContact O-N 3.16Å; F492-T496 VanDerWaalsContact O-N 3.16Å; F492-T496 PolarHBondContact O-OG1 2.86Å; F492-H542 AromaticContact CD1-CE1 3.34Å; F492-H542 WeakPolarHBondContact CD1-CE1 3.43Å; F492-H542 AromaticContact CD1-ND1 3.9Å; F492-H542 AromaticContact CD1-NE2 3.99Å; F492-H542 AromaticContact CE1-CE1 3.38Å; F492-H542 WeakPolarHBondContact CE1-CE1 3.4Å; F492-H542 AromaticContact CE1-NE2 3.54Å
493	K	98.5	Very high	96.3	Very high	7 Å²	7	9.1 Å²	9.1	3%	0.03	5%	0.048	C	C	.	.	I	π-helix	trans	-67	-54.7	-169.8	-56.4	178.2	179.3	165.4	0	112.2	I402 N403 K404 E406 S488 D489 T496 I497	I402-K493 HydrophobicContact CB-CG 4.32Å; I402-K493 HydrophobicContact CD1-CB 4.07Å; I402-K493 HydrophobicContact CD1-CD 4.21Å; I402-K493 HydrophobicContact CD1-CG 3.96Å; I402-K493 HydrophobicContact CG2-CB 4.45Å; I402-K493 HydrophobicContact CG2-CG 4.45Å; N403-K493 WeakPolarHBondContact O-CE 3.35Å; K404-K493 VanDerWaalsContact O-CE 3.27Å; K404-K493 WeakPolarHBondContact O-CE 3.21Å; K404-K493 PolarHBondContact O-NZ 2.89Å; E406-K493 HydrophobicContact CG-CG 3.74Å; S488-K493 PolarHBondContact O-N 3.14Å; D489-K493 WeakPolarHBondContact OD1-CD 3.46Å; K493-T496 PolarHBondContact O-N 3.14Å; K493-I497 HydrophobicContact CB-CD1 4.37Å; K493-I497 WeakPolarHBondContact O-CB 3.45Å; K493-I497 WeakPolarHBondContact O-CD1 3.47Å; K493-I497 WeakPolarHBondContact O-CG1 3.32Å; K493-I497 PolarHBondContact O-N 3.19Å
494	C	98.2	Very high	96	Very high	1 Å²	1	10 Å²	10	1%	0.007	5%	0.054	C	C	.	.	H	α-helix	trans	-68.5	-40	-175.9	-67.3	0	0	0	0	113.8	D489 T496 I497 N498 C663 W666	D489-C494 WeakPolarHBondContact O-CB 3.32Å; D489-C494 PolarHBondContact O-N 3.45Å; C494-T496 VanDerWaalsContact C-N 3.33Å; C494-T496 PolarHBondContact O-N 2.83Å; C494-I497 PolarHBondContact O-N 3.16Å; C494-N498 WeakPolarHBondContact O-CB 3.34Å; C494-N498 PolarHBondContact O-N 2.94Å; C494-N498 PolarHBondContact O-ND2 2.78Å; C494-C663 WeakPolarHBondContact CA-SG 3.5Å; C494-C663 HydrophobicContact CB-CB 3.67Å; C494-C663 WeakPolarHBondContact CB-SG 3.11Å; C494-C663 WeakPolarHBondContact SG-CA 3.33Å; C494-C663 WeakPolarHBondContact SG-CB 3.29Å; C494-C663 PolarHBondContact SG-N 2.96Å; C494-C663 CovalentContact SG-SG 2.06Å; C494-C663 PolarHBondContact SG-SG 2.88Å; C494-W666 HydrophobicContact CB-CB 4.46Å
495	P	97.2	Very high	95.1	Very high	10 Å²	10	12 Å²	12	7%	0.065	6%	0.064	C	C	.	.	H	α-helix	trans	-52.9	-48.3	169.1	-31.7	38.5	0	0	0	113.4	S305 F307 D489 R490 N498 M499	S305-P495 PolarHBondContact OG-O 3.13Å; F307-P495 HydrophobicContact CB-CB 4.24Å; D489-P495 WeakPolarHBondContact O-CD 3.5Å; R490-P495 WeakPolarHBondContact O-CD 3.48Å; R490-P495 VanDerWaalsContact O-CG 3.3Å; R490-P495 WeakPolarHBondContact O-CG 3.33Å; P495-N498 PolarHBondContact O-N 3.37Å; P495-M499 PolarHBondContact O-N 3.48Å
496	T	98.3	Very high	93.2	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-65.3	-46.5	-179.4	-55	0	0	0	0	111.9	G304 F400 I402 F492 K493 C494 N498 M499 A500 F522	G304-T496 PolarHBondContact N-OG1 3.33Å; F400-T496 HydrophobicContact CB-CG2 4.2Å; F400-T496 HydrophobicContact CD1-CG2 3.96Å; I402-T496 HydrophobicContact CG2-CG2 3.94Å; F492-T496 VanDerWaalsContact O-CB 3.31Å; F492-T496 WeakPolarHBondContact O-CB 3.41Å; F492-T496 PolarHBondContact O-N 3.16Å; F492-T496 VanDerWaalsContact O-N 3.16Å; F492-T496 PolarHBondContact O-OG1 2.86Å; K493-T496 PolarHBondContact O-N 3.14Å; C494-T496 VanDerWaalsContact C-N 3.33Å; C494-T496 PolarHBondContact O-N 2.83Å; T496-N498 VanDerWaalsContact C-N 3.33Å; T496-N498 PolarHBondContact O-N 3.09Å; T496-M499 PolarHBondContact O-N 3.25Å; T496-A500 PolarHBondContact O-N 3.29Å; T496-F522 HydrophobicContact CG2-CE2 4.2Å; T496-F522 HydrophobicContact CG2-CZ 4.45Å
497	I	97.2	Very high	91	Very high	5 Å²	5	22 Å²	22	3%	0.026	11%	0.106	C	C	.	.	H	α-helix	trans	-62	-40.9	175.4	-67.3	162.6	0	0	0	111.2	I402 K493 C494 A500 T501 F522 P658 R659	I402-I497 HydrophobicContact CD1-CD1 4.2Å; K493-I497 HydrophobicContact CB-CD1 4.37Å; K493-I497 WeakPolarHBondContact O-CB 3.45Å; K493-I497 WeakPolarHBondContact O-CD1 3.47Å; K493-I497 WeakPolarHBondContact O-CG1 3.32Å; K493-I497 PolarHBondContact O-N 3.19Å; C494-I497 PolarHBondContact O-N 3.16Å; I497-A500 PolarHBondContact O-N 3.42Å; I497-T501 WeakPolarHBondContact O-CB 3.04Å; I497-T501 PolarHBondContact O-N 3.01Å; I497-T501 PolarHBondContact O-OG1 3.5Å; I497-F522 HydrophobicContact CG1-CE1 4.3Å; I497-F522 HydrophobicContact CG1-CE2 4Å; I497-F522 HydrophobicContact CG1-CZ 3.52Å; I497-P658 HydrophobicContact CD1-CB 3.9Å; I497-P658 HydrophobicContact CD1-CG 4.04Å; I497-P658 HydrophobicContact CG1-CB 4.49Å; I497-P658 HydrophobicContact CG1-CG 4.14Å; I497-P658 HydrophobicContact CG2-CG 4.31Å; I497-R659 HydrophobicContact CD1-CB 4.18Å; I497-R659 HydrophobicContact CD1-CG 4.31Å
498	N	94.5	Very high	88.8	Confident	21 Å²	21	29.2 Å²	29.2	11%	0.112	13%	0.134	C	C	.	.	H	α-helix	trans	-66.9	-39.3	179.7	-77.9	-34.4	0	0	0	111.4	F307 C494 P495 T496 T501 A502 R667	F307-N498 HydrophobicContact CD2-CB 3.99Å; C494-N498 WeakPolarHBondContact O-CB 3.34Å; C494-N498 PolarHBondContact O-N 2.94Å; C494-N498 PolarHBondContact O-ND2 2.78Å; P495-N498 PolarHBondContact O-N 3.37Å; T496-N498 VanDerWaalsContact C-N 3.33Å; T496-N498 PolarHBondContact O-N 3.09Å; N498-T501 PolarHBondContact O-N 3.34Å; N498-A502 VanDerWaalsContact O-CB 3.31Å; N498-A502 WeakPolarHBondContact O-CB 3.36Å; N498-A502 PolarHBondContact O-N 3.47Å; N498-R667 PolarHBondContact OD1-NH1 3.18Å
499	M	94.6	Very high	86.6	Confident	1 Å²	1	32.1 Å²	32.1	1%	0.005	15%	0.148	C	C	.	.	H	α-helix	trans	-67	-46.5	175.1	-176.3	58	179.2	0	0	111.5	V288 I306 F307 L389 F400 P495 T496 T501 A502 V503	V288-M499 HydrophobicContact CG1-CE 3.64Å; I306-M499 HydrophobicContact CD1-CE 3.99Å; I306-M499 HydrophobicContact CD1-SD 4.2Å; I306-M499 HydrophobicContact CG1-CE 4.15Å; I306-M499 HydrophobicContact CG1-SD 4.23Å; F307-M499 HydrophobicContact CD1-SD 4.07Å; F307-M499 HydrophobicContact CD2-CB 3.86Å; F307-M499 HydrophobicContact CD2-SD 4.35Å; F307-M499 HydrophobicContact CE1-SD 3.69Å; F307-M499 HydrophobicContact CE2-CB 4.22Å; F307-M499 HydrophobicContact CE2-SD 4Å; F307-M499 HydrophobicContact CG-CB 4.12Å; F307-M499 HydrophobicContact CG-SD 4.38Å; F307-M499 HydrophobicContact CZ-SD 3.66Å; L389-M499 HydrophobicContact CD1-CE 3.81Å; L389-M499 HydrophobicContact CD1-SD 3.95Å; L389-M499 HydrophobicContact CD2-CE 3.92Å; L389-M499 HydrophobicContact CD2-SD 4.16Å; F400-M499 HydrophobicContact CE1-CB 4.14Å; F400-M499 HydrophobicContact CE1-CG 3.82Å; F400-M499 HydrophobicContact CZ-CG 4.1Å; P495-M499 PolarHBondContact O-N 3.48Å; T496-M499 PolarHBondContact O-N 3.25Å; M499-T501 PolarHBondContact O-N 2.86Å; M499-A502 PolarHBondContact O-N 3.05Å; M499-V503 HydrophobicContact CE-CG2 3.87Å; M499-V503 WeakPolarHBondContact O-CG2 3.48Å; M499-V503 PolarHBondContact O-N 2.82Å; M499-V503 HydrophobicContact SD-CG2 4.34Å
500	A	95.6	Very high	84.3	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-57.1	-40.6	174.4	0	0	0	0	0	111.9	F400 T496 I497 T504 V520 F522 F635	F400-A500 HydrophobicContact CB-CB 4.3Å; F400-A500 HydrophobicContact CD1-CB 4.14Å; F400-A500 HydrophobicContact CD2-CB 3.72Å; F400-A500 HydrophobicContact CE1-CB 4.32Å; F400-A500 HydrophobicContact CE2-CB 3.94Å; F400-A500 HydrophobicContact CG-CB 3.81Å; F400-A500 HydrophobicContact CZ-CB 4.22Å; T496-A500 PolarHBondContact O-N 3.29Å; I497-A500 PolarHBondContact O-N 3.42Å; A500-T504 WeakPolarHBondContact O-CG2 3.33Å; A500-T504 PolarHBondContact O-N 2.79Å; A500-T504 PolarHBondContact O-OG1 3.04Å; A500-V520 HydrophobicContact CB-CG1 4.5Å; A500-F522 HydrophobicContact CB-CD2 3.8Å; A500-F522 HydrophobicContact CB-CE2 4.04Å; A500-F635 HydrophobicContact CB-CD1 4.19Å; A500-F635 HydrophobicContact CB-CE1 3.86Å; A500-F635 HydrophobicContact CB-CZ 4.34Å
501	T	92.9	Very high	82.2	Confident	3 Å²	3	40.7 Å²	40.7	2%	0.018	22%	0.224	C	C	.	.	H	α-helix	trans	-66.7	-40.7	174	-56.1	0	0	0	0	111.6	I497 N498 M499 T504 N505 N637	I497-T501 WeakPolarHBondContact O-CB 3.04Å; I497-T501 PolarHBondContact O-N 3.01Å; I497-T501 PolarHBondContact O-OG1 3.5Å; N498-T501 PolarHBondContact O-N 3.34Å; M499-T501 PolarHBondContact O-N 2.86Å; T501-T504 PolarHBondContact O-N 3.47Å; T501-T504 PolarHBondContact O-OG1 3.4Å; T501-T504 VanDerWaalsContact O-OG1 3.05Å; T501-N505 VanDerWaalsContact O-CB 3.29Å; T501-N505 WeakPolarHBondContact O-CB 3.03Å; T501-N505 PolarHBondContact O-N 3.15Å; T501-N505 PolarHBondContact O-ND2 2.99Å; T501-N505 PolarHBondContact O-OD1 3.45Å; T501-N637 VanDerWaalsContact CG2-OD1 3.27Å; T501-N637 WeakPolarHBondContact CG2-OD1 3.38Å
502	A	90.6	Very high	80.1	Confident	26 Å²	26	48.8 Å²	48.8	22%	0.215	25%	0.254	C	S	.	.	H	α-helix	trans	-66.6	-37	-179.9	0	0	0	0	0	112.9	F307 L389 N498 M499 N505	F307-A502 HydrophobicContact CE2-CB 3.8Å; F307-A502 HydrophobicContact CZ-CB 3.98Å; L389-A502 HydrophobicContact CD1-CB 4.16Å; N498-A502 VanDerWaalsContact O-CB 3.31Å; N498-A502 WeakPolarHBondContact O-CB 3.36Å; N498-A502 PolarHBondContact O-N 3.47Å; M499-A502 PolarHBondContact O-N 3.05Å; A502-N505 PolarHBondContact O-N 2.69Å
503	V	91.9	Very high	77.8	Confident	8 Å²	8	58.8 Å²	58.8	5%	0.048	29%	0.292	C	S	.	.	H	α-helix	trans	-67.8	-37.2	176.1	172.2	0	0	0	0	111.9	L389 L392 L398 F400 M499 N505 L518 V520	L389-V503 HydrophobicContact CD1-CG2 4Å; L392-V503 HydrophobicContact CD1-CG2 4.24Å; L392-V503 HydrophobicContact CD2-CB 4.36Å; L392-V503 HydrophobicContact CD2-CG1 3.86Å; L392-V503 HydrophobicContact CD2-CG2 4.13Å; L398-V503 HydrophobicContact CD1-CB 4.32Å; L398-V503 HydrophobicContact CD1-CG1 3.71Å; L398-V503 HydrophobicContact CD1-CG2 4.01Å; F400-V503 HydrophobicContact CZ-CG2 4.45Å; M499-V503 HydrophobicContact CE-CG2 3.87Å; M499-V503 WeakPolarHBondContact O-CG2 3.48Å; M499-V503 PolarHBondContact O-N 2.82Å; M499-V503 HydrophobicContact SD-CG2 4.34Å; V503-N505 VanDerWaalsContact C-N 3.33Å; V503-L518 HydrophobicContact CG1-CB 4.45Å; V503-L518 HydrophobicContact CG1-CD1 4.14Å; V503-V520 HydrophobicContact CG1-CG2 3.97Å
504	T	89.6	Confident	75.8	Confident	19 Å²	19	63.9 Å²	63.9	12%	0.117	31%	0.311	C	S	.	.	H	α-helix	trans	-83.7	-12.6	178	57.7	0	0	0	0	113	A500 T501 D506 V520 F635	A500-T504 WeakPolarHBondContact O-CG2 3.33Å; A500-T504 PolarHBondContact O-N 2.79Å; A500-T504 PolarHBondContact O-OG1 3.04Å; T501-T504 PolarHBondContact O-N 3.47Å; T501-T504 PolarHBondContact O-OG1 3.4Å; T501-T504 VanDerWaalsContact O-OG1 3.05Å; T504-D506 PolarHBondContact O-N 2.99Å; T504-D506 VanDerWaalsContact O-N 3.15Å; T504-V520 HydrophobicContact CG2-CB 3.63Å; T504-V520 HydrophobicContact CG2-CG1 4.19Å; T504-V520 HydrophobicContact CG2-CG2 3.45Å; T504-V520 VanDerWaalsContact CG2-CG2 3.45Å; T504-F635 HydrophobicContact CG2-CD1 4.19Å; T504-F635 VanDerWaalsContact CG2-O 3.27Å; T504-F635 WeakPolarHBondContact CG2-O 3.06Å
505	N	77.8	Confident	73.9	Confident	49 Å²	49	68 Å²	68	26%	0.262	35%	0.345	S	S	.	.			trans	-71.8	109.5	175.2	-82.5	-22.6	0	0	0	109.3	T501 A502 V503 Y507 N637	T501-N505 VanDerWaalsContact O-CB 3.29Å; T501-N505 WeakPolarHBondContact O-CB 3.03Å; T501-N505 PolarHBondContact O-N 3.15Å; T501-N505 PolarHBondContact O-ND2 2.99Å; T501-N505 PolarHBondContact O-OD1 3.45Å; A502-N505 PolarHBondContact O-N 2.69Å; V503-N505 VanDerWaalsContact C-N 3.33Å; N505-Y507 HydrophobicContact CB-CD2 4.31Å; N505-Y507 PolarHBondContact O-N 3.45Å; N505-N637 WeakPolarHBondContact OD1-CB 3.45Å; N505-N637 PolarHBondContact OD1-ND2 3.32Å; N505-N637 PolarHBondContact OD1-OD1 3.25Å
506	D	56.9	Low	72.3	Confident	76 Å²	76	74.8 Å²	74.8	41%	0.406	38%	0.375	S	S	.	.			trans	-69.4	40.2	172.7	-145.7	36.1	0	0	0	111.3	T504 R508	T504-D506 PolarHBondContact O-N 2.99Å; T504-D506 VanDerWaalsContact O-N 3.15Å; D506-R508 WeakPolarHBondContact O-CG 3.29Å; D506-R508 PolarHBondContact O-N 3.39Å; D506-R508 IonicContact OD2-CZ 2.76Å; D506-R508 IonicContact OD2-NE 3.33Å; D506-R508 PolarHBondContact OD2-NE 2.99Å; D506-R508 IonicContact OD2-NH2 2.72Å; D506-R508 PolarHBondContact OD2-NH2 3Å
507	Y	52.1	Low	71.3	Confident	206 Å²	206	78.4 Å²	78.4	81%	0.808	40%	0.398	S	S	*	.			trans	-62.4	87.3	171.4	-103.1	-78.6	0	0	0	107.4	N505 I509	N505-Y507 HydrophobicContact CB-CD2 4.31Å; N505-Y507 PolarHBondContact O-N 3.45Å; Y507-I509 PolarHBondContact O-N 3.45Å
508	R	51.2	Low	71	Confident	152 Å²	152	78.8 Å²	78.8	57%	0.574	40%	0.4	S	S	*	.			trans	-64.7	107.5	179.3	-50.6	-171.3	176.3	152.2	-3.6	105.3	D506 P510	D506-R508 WeakPolarHBondContact O-CG 3.29Å; D506-R508 PolarHBondContact O-N 3.39Å; D506-R508 IonicContact OD2-CZ 2.76Å; D506-R508 IonicContact OD2-NE 3.33Å; D506-R508 PolarHBondContact OD2-NE 2.99Å; D506-R508 IonicContact OD2-NH2 2.72Å; D506-R508 PolarHBondContact OD2-NH2 3Å; R508-P510 VanDerWaalsContact O-CD 3.25Å; R508-P510 WeakPolarHBondContact O-CD 3.37Å; R508-P510 VanDerWaalsContact O-N 3.11Å
509	I	51.7	Low	71	Confident	60 Å²	60	80.1 Å²	80.1	31%	0.308	41%	0.41	S	S	.	.	B	Isolated β-bridge	trans	-52.4	121.6	157.4	-60.7	171.7	0	0	0	105.1	Y507 G511 R512	Y507-I509 PolarHBondContact O-N 3.45Å; I509-G511 PolarHBondContact O-N 3.09Å; I509-R512 HydrophobicContact CB-CB 4.21Å; I509-R512 HydrophobicContact CG2-CB 4.44Å; I509-R512 PolarHBondContact O-N 2.97Å
510	P	49.7	Very low	71.2	Confident	126 Å²	126	80.1 Å²	80.1	82%	0.818	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	119.7	173.4	-24	33.6	0	0	0	108.7	R508	R508-P510 VanDerWaalsContact O-CD 3.25Å; R508-P510 WeakPolarHBondContact O-CD 3.37Å; R508-P510 VanDerWaalsContact O-N 3.11Å
511	G	53.7	Low	71.3	Confident	85 Å²	85	80.7 Å²	80.7	88%	0.876	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.8	-7.6	-177.8	0	0	0	0	0	116.9	I509	I509-G511 PolarHBondContact O-N 3.09Å
512	R	52.6	Low	71.6	Confident	170 Å²	170	80.6 Å²	80.6	64%	0.642	41%	0.411	S	S	*	.	B	Isolated β-bridge	trans	-127.8	83.1	169	-68.3	-173.1	-179.4	-171.1	-0.4	110.2	I509 R514	I509-R512 HydrophobicContact CB-CB 4.21Å; I509-R512 HydrophobicContact CG2-CB 4.44Å; I509-R512 PolarHBondContact O-N 2.97Å; R512-R514 PolarHBondContact O-N 2.97Å
513	R	50.1	Low	72	Confident	209 Å²	209	79.3 Å²	79.3	79%	0.789	40%	0.401	S	S	*	.			trans	-64.8	119.7	161	-78.1	-177.2	170	175.3	-2.9	107.1	A515	R513-A515 PolarHBondContact O-N 3.39Å
514	R	56	Low	72.3	Confident	115 Å²	115	79.8 Å²	79.8	43%	0.434	40%	0.402	S	S	.	.			trans	-61.6	129.6	156.1	-82.1	-169.5	175.9	134.2	10.5	106.2	L389 R512 H516	L389-R514 PolarHBondContact O-NH2 3.4Å; L389-R514 VanDerWaalsContact O-NH2 3.16Å; R512-R514 PolarHBondContact O-N 2.97Å; R514-H516 PolarHBondContact O-N 3Å
515	A	56.7	Low	72.7	Confident	88 Å²	88	79 Å²	79	73%	0.727	40%	0.397	S	S	*	.	S	Bend	trans	-63.7	-26.5	178.9	0	0	0	0	0	111.7	R513	R513-A515 PolarHBondContact O-N 3.39Å
516	H	63.6	Low	73.6	Confident	151 Å²	151	78.4 Å²	78.4	70%	0.699	39%	0.393	S	S	*	.	S	Bend	trans	-144.1	138.2	-176.7	-59.1	88.5	0	0	0	110.8	R514	R514-H516 PolarHBondContact O-N 3Å
517	T	79	Confident	75.4	Confident	76 Å²	76	75.1 Å²	75.1	47%	0.466	38%	0.375	S	S	.	.	P	Polyproline II helix	trans	-80.9	136.7	164.5	48.3	0	0	0	0	108.8
518	L	90.4	Very high	77.5	Confident	14 Å²	14	67.7 Å²	67.7	7%	0.073	35%	0.346	C	S	.	.	P	Polyproline II helix	trans	-64.3	134.1	174	-59.9	174.1	0	0	0	108.9	L392 G396 L398 V503 V520	L392-L518 HydrophobicContact CD1-CD1 4.24Å; L392-L518 HydrophobicContact CD2-CD1 4.18Å; L392-L518 HydrophobicContact CG-CD1 4.17Å; G396-L518 VanDerWaalsContact O-CD2 3.31Å; G396-L518 WeakPolarHBondContact O-CD2 3.25Å; L398-L518 HydrophobicContact CD1-CD1 4.08Å; L398-L518 HydrophobicContact CG-CD1 4.16Å; V503-L518 HydrophobicContact CG1-CB 4.45Å; V503-L518 HydrophobicContact CG1-CD1 4.14Å; L518-V520 WeakPolarHBondContact O-CG2 3.48Å; L518-V520 PolarHBondContact O-N 2.92Å
519	P	95.3	Very high	79.6	Confident	49 Å²	49	60.6 Å²	60.6	32%	0.318	32%	0.319	S	S	.	.	P	Polyproline II helix	trans	-57.4	131	165.9	-21.8	33.2	0	0	0	109.3	G396 A397 L398 Y521	G396-P519 WeakPolarHBondContact O-CD 3.46Å; A397-P519 WeakPolarHBondContact CA-O 3.4Å; A397-P519 HydrophobicContact CB-CB 4.08Å; A397-P519 HydrophobicContact CB-CG 4.4Å; L398-P519 PolarHBondContact N-O 2.93Å; P519-Y521 HydrophobicContact CB-CE2 4.11Å
520	V	97.5	Very high	81.7	Confident	0 Å²	0	63 Å²	63	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	134.7	177.9	-177.2	0	0	0	0	109.3	L398 F400 A500 V503 T504 L518 E634 F635	L398-V520 HydrophobicContact CB-CG2 4.33Å; L398-V520 CarbonylContact O-C 3.56Å; L398-V520 VanDerWaalsContact O-CA 3.25Å; L398-V520 WeakPolarHBondContact O-CA 3.4Å; F400-V520 HydrophobicContact CD2-CG1 3.71Å; F400-V520 HydrophobicContact CE2-CG1 3.8Å; A500-V520 HydrophobicContact CB-CG1 4.5Å; V503-V520 HydrophobicContact CG1-CG2 3.97Å; T504-V520 HydrophobicContact CG2-CB 3.63Å; T504-V520 HydrophobicContact CG2-CG1 4.19Å; T504-V520 HydrophobicContact CG2-CG2 3.45Å; T504-V520 VanDerWaalsContact CG2-CG2 3.45Å; L518-V520 WeakPolarHBondContact O-CG2 3.48Å; L518-V520 PolarHBondContact O-N 2.92Å; V520-E634 CarbonylContact O-C 3.57Å; V520-E634 WeakPolarHBondContact O-CA 3.47Å; V520-E634 VanDerWaalsContact O-CG 3.3Å; V520-E634 WeakPolarHBondContact O-CG 3.41Å; V520-F635 HydrophobicContact CB-CB 4.37Å; V520-F635 HydrophobicContact CG1-CB 4.08Å; V520-F635 HydrophobicContact CG1-CD1 4.23Å; V520-F635 WeakPolarHBondContact O-CB 3.27Å; V520-F635 PolarHBondContact O-N 3.08Å
521	Y	98.6	Very high	83.8	Confident	13 Å²	13	59.3 Å²	59.3	5%	0.051	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	147.2	172.7	-62.7	-90.1	0	0	0	109.2	L398 M399 F400 P519 F583 G587 D588 P589 W632 E634	L398-Y521 PolarHBondContact O-N 3.14Å; M399-Y521 CarbonylContact C-O 3.54Å; M399-Y521 VanDerWaalsContact CA-O 3.31Å; M399-Y521 WeakPolarHBondContact CA-O 3.05Å; F400-Y521 PolarHBondContact N-O 2.86Å; P519-Y521 HydrophobicContact CB-CE2 4.11Å; Y521-F583 HydrophobicContact CD2-CD2 4.26Å; Y521-F583 HydrophobicContact CD2-CE2 4.05Å; Y521-G587 WeakPolarHBondContact CE2-O 3.38Å; Y521-D588 PolarHBondContact OH-OD1 3.29Å; Y521-D588 PolarHBondContact OH-OD2 3.09Å; Y521-D588 VanDerWaalsContact OH-OD2 3.12Å; Y521-P589 HydrophobicContact CD1-CG 3.55Å; Y521-P589 HydrophobicContact CD2-CG 4.28Å; Y521-P589 VanDerWaalsContact CE1-CD 3.46Å; Y521-P589 HydrophobicContact CE1-CG 3.74Å; Y521-P589 HydrophobicContact CE2-CG 4.46Å; Y521-P589 HydrophobicContact CG-CG 3.83Å; Y521-W632 AromaticContact CD1-CD1 3.67Å; Y521-W632 HydrophobicContact CD1-CG 4.09Å; Y521-E634 HydrophobicContact CE1-CB 4.46Å
522	F	98.6	Very high	85.7	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	140.3	-179.9	-161	-77.2	0	0	0	110.2	F400 I402 T496 I497 A500 W632 F635 Y642 I643	F400-F522 HydrophobicContact CB-CD2 3.46Å; F400-F522 VanDerWaalsContact CB-CD2 3.46Å; F400-F522 HydrophobicContact CB-CE2 3.65Å; F400-F522 HydrophobicContact CB-CG 4.34Å; F400-F522 HydrophobicContact CG-CD2 4.4Å; F400-F522 CarbonylContact O-C 3.58Å; F400-F522 VanDerWaalsContact O-CA 3.24Å; F400-F522 WeakPolarHBondContact O-CA 3.03Å; I402-F522 HydrophobicContact CD1-CE1 4.05Å; I402-F522 HydrophobicContact CD1-CZ 4.22Å; I402-F522 HydrophobicContact CG1-CE1 3.9Å; I402-F522 HydrophobicContact CG1-CZ 4.14Å; I402-F522 HydrophobicContact CG2-CZ 3.98Å; T496-F522 HydrophobicContact CG2-CE2 4.2Å; T496-F522 HydrophobicContact CG2-CZ 4.45Å; I497-F522 HydrophobicContact CG1-CE1 4.3Å; I497-F522 HydrophobicContact CG1-CE2 4Å; I497-F522 HydrophobicContact CG1-CZ 3.52Å; A500-F522 HydrophobicContact CB-CD2 3.8Å; A500-F522 HydrophobicContact CB-CE2 4.04Å; F522-W632 PolarHBondContact O-NE1 3.11Å; F522-F635 HydrophobicContact CB-CB 3.97Å; F522-F635 HydrophobicContact CB-CD2 3.41Å; F522-F635 VanDerWaalsContact CB-CD2 3.41Å; F522-F635 HydrophobicContact CB-CE2 4.09Å; F522-F635 HydrophobicContact CB-CG 3.86Å; F522-F635 HydrophobicContact CD2-CD2 4.28Å; F522-F635 HydrophobicContact CD2-CE2 4.22Å; F522-F635 AromaticContact CG-CD2 3.95Å; F522-F635 HydrophobicContact CG-CD2 3.95Å; F522-F635 HydrophobicContact CG-CE2 4.12Å; F522-Y642 HydrophobicContact CD1-CD2 4.28Å; F522-Y642 HydrophobicContact CD1-CG 4.2Å; F522-Y642 WeakPolarHBondContact O-CA 3.45Å; F522-Y642 VanDerWaalsContact O-CB 3.26Å; F522-Y642 WeakPolarHBondContact O-CB 3.29Å; F522-I643 PolarHBondContact O-N 2.87Å; F522-I643 VanDerWaalsContact O-N 3.1Å
523	Y	98.5	Very high	87.6	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	159	171	74.2	-91.1	0	0	0	113.5	Q302 M399 F400 G401 I402 F525 E545 W580 W632 I643 F645	Q302-Y523 VanDerWaalsContact CG-OH 3.28Å; Q302-Y523 WeakPolarHBondContact CG-OH 3.48Å; M399-Y523 HydrophobicContact CG-CD1 4.44Å; M399-Y523 HydrophobicContact SD-CD1 4.38Å; F400-Y523 VanDerWaalsContact O-CD1 3.31Å; F400-Y523 WeakPolarHBondContact O-CD1 3.14Å; F400-Y523 PolarHBondContact O-N 3.33Å; G401-Y523 WeakPolarHBondContact CA-O 3.35Å; I402-Y523 PolarHBondContact N-O 3.13Å; Y523-F525 HydrophobicContact CD2-CB 4.29Å; Y523-F525 HydrophobicContact CE2-CB 4.08Å; Y523-E545 HydrophobicContact CE2-CG 4.33Å; Y523-E545 PolarHBondContact OH-OE1 3.46Å; Y523-W580 AromaticContact CD1-CH2 3.76Å; Y523-W580 HydrophobicContact CD1-CH2 3.76Å; Y523-W580 HydrophobicContact CD1-CZ2 4.03Å; Y523-W580 HydrophobicContact CD2-CH2 4.33Å; Y523-W580 AromaticContact CE1-CH2 3.54Å; Y523-W580 HydrophobicContact CE1-CH2 3.54Å; Y523-W580 AromaticContact CE1-CZ2 3.34Å; Y523-W580 HydrophobicContact CE1-CZ2 3.34Å; Y523-W580 HydrophobicContact CE2-CH2 4.17Å; Y523-W580 HydrophobicContact CE2-CZ2 4.35Å; Y523-W580 HydrophobicContact CG-CH2 4.16Å; Y523-W580 AromaticContact CZ-CH2 3.77Å; Y523-W580 AromaticContact CZ-CZ2 3.55Å; Y523-W632 AromaticContact CD1-CH2 3.89Å; Y523-W632 HydrophobicContact CD1-CH2 3.89Å; Y523-W632 HydrophobicContact CD1-CZ2 4.05Å; Y523-W632 HydrophobicContact CG-CH2 4.18Å; Y523-W632 HydrophobicContact CG-CZ2 4.29Å; Y523-I643 CarbonylContact C-O 3.58Å; Y523-I643 WeakPolarHBondContact CA-O 3.38Å; Y523-F645 HydrophobicContact CD2-CD2 4.1Å; Y523-F645 HydrophobicContact CD2-CE2 4.26Å; Y523-F645 HydrophobicContact CG-CD2 4.33Å; Y523-F645 HydrophobicContact CG-CE2 4.08Å
524	E	98.2	Very high	89.5	Confident	18 Å²	18	40.5 Å²	40.5	8%	0.084	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	128.7	162.1	-177.2	-179.9	174.8	0	0	109.8	I402 Q526 Y642 I643 V644 F645	I402-E524 HydrophobicContact CD1-CG 4.4Å; I402-E524 HydrophobicContact CG1-CB 4.16Å; I402-E524 HydrophobicContact CG1-CG 4.09Å; I402-E524 CarbonylContact O-C 3.51Å; I402-E524 VanDerWaalsContact O-CA 3.29Å; I402-E524 WeakPolarHBondContact O-CA 3.48Å; E524-Q526 HydrophobicContact CG-CG 3.88Å; E524-Q526 PolarHBondContact OE1-NE2 3.26Å; E524-Q526 PolarHBondContact OE2-NE2 2.99Å; E524-Y642 HydrophobicContact CB-CD2 4.04Å; E524-Y642 HydrophobicContact CB-CE2 3.76Å; E524-Y642 WeakPolarHBondContact OE2-CE2 3.44Å; E524-I643 PolarHBondContact N-O 2.96Å; E524-V644 HydrophobicContact CB-CG1 4.49Å; E524-V644 CarbonylContact O-C 3.55Å; E524-V644 WeakPolarHBondContact O-CA 3.48Å; E524-F645 PolarHBondContact O-N 2.94Å
525	F	98.1	Very high	91.1	Very high	1 Å²	1	35.1 Å²	35.1	0%	0.004	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	122.6	174.8	-176.2	-104.3	0	0	0	110.3	I402 N403 K404 Y523 H527 T540 E545 Y548 L572 M576 F645	I402-F525 PolarHBondContact O-N 2.59Å; N403-F525 CarbonylContact C-O 3.58Å; N403-F525 WeakPolarHBondContact CA-O 3.34Å; N403-F525 WeakPolarHBondContact OD1-CB 3.36Å; K404-F525 PolarHBondContact N-O 2.77Å; Y523-F525 HydrophobicContact CD2-CB 4.29Å; Y523-F525 HydrophobicContact CE2-CB 4.08Å; F525-H527 HydrophobicContact CE1-CB 4.31Å; F525-H527 WeakPolarHBondContact CE1-O 3.38Å; F525-H527 HydrophobicContact CE2-CB 3.95Å; F525-H527 HydrophobicContact CZ-CB 3.72Å; F525-T540 HydrophobicContact CD1-CG2 3.31Å; F525-T540 HydrophobicContact CE1-CG2 3.66Å; F525-T540 HydrophobicContact CG-CG2 4.38Å; F525-T540 WeakPolarHBondContact O-CG2 3.31Å; F525-E545 HydrophobicContact CB-CB 3.95Å; F525-E545 HydrophobicContact CD1-CB 3.41Å; F525-E545 VanDerWaalsContact CD1-CB 3.41Å; F525-E545 HydrophobicContact CD2-CB 3.99Å; F525-E545 HydrophobicContact CE1-CB 3.82Å; F525-E545 HydrophobicContact CE2-CB 4.34Å; F525-E545 HydrophobicContact CG-CB 3.52Å; F525-E545 HydrophobicContact CZ-CB 4.27Å; F525-Y548 HydrophobicContact CE1-CD2 4.39Å; F525-Y548 HydrophobicContact CE1-CE2 4.37Å; F525-Y548 HydrophobicContact CE2-CD2 4.13Å; F525-Y548 HydrophobicContact CE2-CG 4.33Å; F525-Y548 AromaticContact CZ-CD2 3.56Å; F525-Y548 HydrophobicContact CZ-CD2 3.56Å; F525-Y548 AromaticContact CZ-CE2 3.63Å; F525-Y548 HydrophobicContact CZ-CE2 3.63Å; F525-Y548 HydrophobicContact CZ-CG 4.19Å; F525-L572 HydrophobicContact CE2-CD2 4Å; F525-M576 HydrophobicContact CD2-CE 4.08Å; F525-M576 HydrophobicContact CD2-SD 3.86Å; F525-M576 HydrophobicContact CE2-CE 4.29Å; F525-M576 HydrophobicContact CE2-SD 3.65Å; F525-F645 HydrophobicContact CD2-CB 3.81Å; F525-F645 HydrophobicContact CE2-CB 4.49Å
526	Q	96.6	Very high	92.6	Very high	38 Å²	38	40 Å²	40	18%	0.178	21%	0.208	C	C	.	.			trans	-125.1	7.1	-173.5	-55.8	-166.3	-29.3	0	0	113.2	K404 E524 T540 V644 F645 R646	K404-Q526 HydrophobicContact CB-CB 4.28Å; K404-Q526 HydrophobicContact CB-CG 4.06Å; K404-Q526 HydrophobicContact CD-CB 4.2Å; K404-Q526 HydrophobicContact CD-CG 4.27Å; K404-Q526 HydrophobicContact CG-CG 4.37Å; E524-Q526 HydrophobicContact CG-CG 3.88Å; E524-Q526 PolarHBondContact OE1-NE2 3.26Å; E524-Q526 PolarHBondContact OE2-NE2 2.99Å; Q526-T540 PolarHBondContact O-OG1 3.14Å; Q526-V644 HydrophobicContact CB-CG1 4.47Å; Q526-V644 HydrophobicContact CG-CG1 3.62Å; Q526-F645 WeakPolarHBondContact CA-O 3.38Å; Q526-F645 PolarHBondContact N-O 2.85Å; Q526-R646 HydrophobicContact CB-CG 4.4Å
527	H	96	Very high	93.9	Very high	7 Å²	7	34.9 Å²	34.9	3%	0.032	18%	0.183	C	C	.	.			trans	-86.1	141.3	177.3	-179.5	60.8	0	0	0	110.7	F525 T540 Y548 E569 L572 S647	F525-H527 HydrophobicContact CE1-CB 4.31Å; F525-H527 WeakPolarHBondContact CE1-O 3.38Å; F525-H527 HydrophobicContact CE2-CB 3.95Å; F525-H527 HydrophobicContact CZ-CB 3.72Å; H527-T540 WeakPolarHBondContact O-CG2 3.45Å; H527-T540 PolarHBondContact O-OG1 3.08Å; H527-Y548 AromaticContact CD2-CE1 3.98Å; H527-Y548 AromaticContact CD2-CZ 3.57Å; H527-Y548 PolarHBondContact CD2-OH 2.98Å; H527-Y548 PolarHBondContact NE2-OH 3.45Å; H527-E569 IonicContact CE1-OE1 3.55Å; H527-E569 WeakPolarHBondContact NE2-CG 3.37Å; H527-E569 IonicContact NE2-OE1 2.81Å; H527-E569 PolarHBondContact NE2-OE1 2.71Å; H527-L572 HydrophobicContact CB-CD2 3.73Å; H527-S647 WeakPolarHBondContact ND1-CA 3.31Å; H527-S647 PolarHBondContact ND1-OG 2.68Å
528	R	95.1	Very high	94.6	Very high	50 Å²	50	31.3 Å²	31.3	19%	0.189	16%	0.161	C	C	.	.			trans	-116.2	124.8	173.1	174.4	-174.3	177.7	86.4	-1.6	107.4	V530 L532 M534 P535 T538 G539	R528-V530 PolarHBondContact O-N 3.32Å; R528-L532 HydrophobicContact CG-CD2 4.22Å; R528-M534 VanDerWaalsContact NH2-C 3.28Å; R528-M534 PolarHBondContact NH2-O 3.13Å; R528-P535 PolarHBondContact NH2-O 2.77Å; R528-P535 VanDerWaalsContact NH2-O 3.13Å; R528-T538 PolarHBondContact NH1-OG1 3.48Å; R528-G539 WeakPolarHBondContact CD-O 3.3Å; R528-G539 WeakPolarHBondContact CG-O 3.19Å; R528-G539 PolarHBondContact NH1-O 3.3Å
529	T	95.8	Very high	94.8	Very high	3 Å²	3	31.3 Å²	31.3	2%	0.018	16%	0.164	C	C	.	.			trans	-53.7	126.8	177	-56.9	0	0	0	0	110.8	S531 L532 E547 Y548 Y563 F565 E569	T529-S531 VanDerWaalsContact C-N 3.31Å; T529-S531 PolarHBondContact O-N 3.13Å; T529-L532 WeakPolarHBondContact O-CB 3.33Å; T529-L532 PolarHBondContact O-N 3.24Å; T529-L532 VanDerWaalsContact O-N 3.13Å; T529-E547 PolarHBondContact OG1-OE2 2.99Å; T529-Y548 PolarHBondContact OG1-OH 3.44Å; T529-Y563 HydrophobicContact CG2-CD2 4.03Å; T529-Y563 HydrophobicContact CG2-CE2 3.87Å; T529-F565 HydrophobicContact CG2-CD1 3.66Å; T529-F565 HydrophobicContact CG2-CE1 3.56Å; T529-F565 HydrophobicContact CG2-CZ 4.44Å; T529-E569 WeakPolarHBondContact CA-OE1 3.4Å
530	V	94.6	Very high	94.9	Very high	109 Å²	109	29.2 Å²	29.2	66%	0.661	15%	0.151	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-41.8	-170.8	172.1	0	0	0	0	111.8	R528 L532 T566 E569	R528-V530 PolarHBondContact O-N 3.32Å; V530-L532 VanDerWaalsContact C-N 3.3Å; V530-T566 HydrophobicContact CB-CG2 4.21Å; V530-T566 HydrophobicContact CG2-CG2 4.12Å; V530-E569 PolarHBondContact N-OE1 2.71Å
531	S	94.8	Very high	94.9	Very high	49 Å²	49	29.2 Å²	29.2	34%	0.343	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.8	6.1	-177.5	78.1	0	0	0	0	113.8	T529 P533 R564	T529-S531 VanDerWaalsContact C-N 3.31Å; T529-S531 PolarHBondContact O-N 3.13Å; S531-P533 VanDerWaalsContact O-CD 3.23Å; S531-P533 WeakPolarHBondContact O-CD 3.42Å; S531-P533 VanDerWaalsContact O-N 3.1Å; S531-R564 WeakPolarHBondContact CB-O 3.48Å; S531-R564 PolarHBondContact OG-N 2.9Å; S531-R564 VanDerWaalsContact OG-N 3.15Å; S531-R564 PolarHBondContact OG-O 3.14Å
532	L	93.4	Very high	94.9	Very high	13 Å²	13	29.2 Å²	29.2	7%	0.068	15%	0.151	C	C	.	.			trans	-57.2	115.6	-173.8	-173.1	64	0	0	0	110.6	A150 R528 T529 V530 M534 M541 Y544 Y563	A150-L532 HydrophobicContact CB-CD1 3.59Å; A150-L532 HydrophobicContact CB-CG 4.49Å; R528-L532 HydrophobicContact CG-CD2 4.22Å; T529-L532 WeakPolarHBondContact O-CB 3.33Å; T529-L532 PolarHBondContact O-N 3.24Å; T529-L532 VanDerWaalsContact O-N 3.13Å; V530-L532 VanDerWaalsContact C-N 3.3Å; L532-M534 HydrophobicContact CD2-CB 4.37Å; L532-M534 HydrophobicContact CG-CB 4.12Å; L532-M534 HydrophobicContact CG-CG 4.22Å; L532-M534 PolarHBondContact O-N 3.36Å; L532-M541 HydrophobicContact CD2-CE 3.66Å; L532-M541 HydrophobicContact CG-CE 4.43Å; L532-Y544 HydrophobicContact CD1-CD1 3.81Å; L532-Y544 HydrophobicContact CD1-CE1 3.43Å; L532-Y544 VanDerWaalsContact CD1-CE1 3.43Å; L532-Y544 HydrophobicContact CD2-CD1 4.21Å; L532-Y544 HydrophobicContact CD2-CE1 4.28Å; L532-Y544 HydrophobicContact CG-CE1 4.48Å; L532-Y563 HydrophobicContact CD1-CE1 3.96Å; L532-Y563 HydrophobicContact CD1-CE2 4.19Å
533	P	91.9	Very high	94.8	Very high	45 Å²	45	29.3 Å²	29.3	29%	0.292	15%	0.152	S	C	.	.	S	Bend	trans	-79.1	55.5	-175.9	32.7	-36.3	0	0	0	111.5	S148 A149 A150 S531 Y563	S148-P533 PolarHBondContact OG-O 3.09Å; A149-P533 HydrophobicContact CB-CG 4.02Å; A150-P533 HydrophobicContact CB-CG 3.92Å; S531-P533 VanDerWaalsContact O-CD 3.23Å; S531-P533 WeakPolarHBondContact O-CD 3.42Å; S531-P533 VanDerWaalsContact O-N 3.1Å; P533-Y563 VanDerWaalsContact CD-CD1 3.48Å; P533-Y563 HydrophobicContact CG-CD1 3.96Å
534	M	90.3	Very high	94.8	Very high	11 Å²	11	29.6 Å²	29.6	5%	0.054	15%	0.153	C	C	.	.	S	Bend	trans	-132.8	156	177.4	-69.9	-69.1	-173.9	0	0	109.3	S148 A150 A151 L412 R528 L532 M541	S148-M534 WeakPolarHBondContact OG-CE 3.47Å; A150-M534 HydrophobicContact CB-CE 3.62Å; A150-M534 HydrophobicContact CB-CG 3.72Å; A150-M534 HydrophobicContact CB-SD 4.47Å; A151-M534 HydrophobicContact CB-CE 3.93Å; L412-M534 HydrophobicContact CD2-SD 4.15Å; R528-M534 VanDerWaalsContact NH2-C 3.28Å; R528-M534 PolarHBondContact NH2-O 3.13Å; L532-M534 HydrophobicContact CD2-CB 4.37Å; L532-M534 HydrophobicContact CG-CB 4.12Å; L532-M534 HydrophobicContact CG-CG 4.22Å; L532-M534 PolarHBondContact O-N 3.36Å; M534-M541 HydrophobicContact CB-CE 3.92Å; M534-M541 HydrophobicContact CG-CE 3.63Å
535	P	89.2	Confident	94.7	Very high	3 Å²	3	28.8 Å²	28.8	2%	0.019	15%	0.149	C	C	.	.			trans	-59.6	144.2	174.3	-42.2	52.4	0	0	0	114.8	W421 L425 R528 W537 T538	W421-P535 HydrophobicContact CD2-CG 4.14Å; W421-P535 HydrophobicContact CE3-CG 3.86Å; W421-P535 HydrophobicContact CH2-CB 3.52Å; W421-P535 HydrophobicContact CH2-CG 2.97Å; W421-P535 HydrophobicContact CZ2-CB 3.53Å; W421-P535 HydrophobicContact CZ2-CG 3.21Å; W421-P535 HydrophobicContact CZ3-CB 4.28Å; W421-P535 HydrophobicContact CZ3-CG 3.26Å; L425-P535 HydrophobicContact CB-CG 3.96Å; L425-P535 HydrophobicContact CD2-CG 3.61Å; L425-P535 HydrophobicContact CG-CG 4.39Å; L425-P535 WeakPolarHBondContact O-CB 3.39Å; L425-P535 VanDerWaalsContact O-CG 3.23Å; L425-P535 WeakPolarHBondContact O-CG 3.21Å; R528-P535 PolarHBondContact NH2-O 2.77Å; R528-P535 VanDerWaalsContact NH2-O 3.13Å; P535-W537 VanDerWaalsContact C-N 3.27Å; P535-W537 PolarHBondContact O-N 2.65Å; P535-T538 WeakPolarHBondContact O-CB 3.38Å; P535-T538 PolarHBondContact O-N 3.35Å; P535-T538 VanDerWaalsContact O-N 3.08Å; P535-T538 PolarHBondContact O-OG1 3.3Å
536	K	90	Very high	94.8	Very high	189 Å²	189	28.7 Å²	28.7	82%	0.822	15%	0.149	S	C	*	.	G	3₁₀ helix	trans	-60.6	-35.7	-171.6	-69	-174.4	177.1	-179	0	113	T538 G539	K536-T538 PolarHBondContact O-N 3.33Å; K536-T538 VanDerWaalsContact O-N 3.16Å; K536-G539 PolarHBondContact O-N 2.89Å; K536-G539 VanDerWaalsContact O-N 3.14Å
537	W	91.1	Very high	94.8	Very high	45 Å²	45	26.9 Å²	26.9	17%	0.17	14%	0.141	C	C	.	.	G	3₁₀ helix	trans	-62.3	-22.3	-179.9	72.9	-101	0	0	0	112.9	L411 L412 W421 D427 L428 P429 T480 P535 G539	L411-W537 HydrophobicContact CB-CH2 4.15Å; L411-W537 HydrophobicContact CB-CZ3 4.38Å; L412-W537 HydrophobicContact CB-CH2 4.2Å; L412-W537 HydrophobicContact CB-CZ2 4.34Å; W421-W537 HydrophobicContact CH2-CZ2 4.4Å; W421-W537 AromaticContact CZ2-CE2 3.97Å; W421-W537 AromaticContact CZ2-CZ2 3.99Å; W421-W537 HydrophobicContact CZ2-CZ2 3.99Å; W421-W537 AromaticContact CZ2-NE1 3.42Å; D427-W537 PolarHBondContact O-NE1 2.93Å; L428-W537 HydrophobicContact CD2-CB 3.96Å; L428-W537 HydrophobicContact CD2-CG 3.92Å; P429-W537 HydrophobicContact CG-CH2 4.04Å; P429-W537 HydrophobicContact CG-CZ2 4.08Å; P429-W537 HydrophobicContact CG-CZ3 4.37Å; T480-W537 HydrophobicContact CG2-CD2 4.18Å; T480-W537 HydrophobicContact CG2-CE3 3.85Å; T480-W537 HydrophobicContact CG2-CZ3 4.37Å; P535-W537 VanDerWaalsContact C-N 3.27Å; P535-W537 PolarHBondContact O-N 2.65Å; W537-G539 PolarHBondContact O-N 2.95Å
538	T	93.4	Very high	94.9	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	-66.5	-19.7	178.3	61.6	0	0	0	0	112.9	N405 S408 W421 R528 P535 K536 T540 M541	N405-T538 WeakPolarHBondContact CB-O 3.35Å; S408-T538 WeakPolarHBondContact CB-O 3.24Å; S408-T538 PolarHBondContact OG-O 2.87Å; W421-T538 HydrophobicContact CH2-CG2 4.47Å; R528-T538 PolarHBondContact NH1-OG1 3.48Å; P535-T538 WeakPolarHBondContact O-CB 3.38Å; P535-T538 PolarHBondContact O-N 3.35Å; P535-T538 VanDerWaalsContact O-N 3.08Å; P535-T538 PolarHBondContact O-OG1 3.3Å; K536-T538 PolarHBondContact O-N 3.33Å; K536-T538 VanDerWaalsContact O-N 3.16Å; T538-T540 PolarHBondContact O-N 3.23Å; T538-M541 HydrophobicContact CG2-SD 4.16Å; T538-M541 WeakPolarHBondContact O-CG 3.37Å
539	G	94.8	Very high	95.1	Very high	14 Å²	14	24.2 Å²	24.2	14%	0.144	13%	0.13	C	C	.	.			trans	57.5	-133.1	173.1	0	0	0	0	0	113.4	N405 R528 K536 W537	N405-G539 WeakPolarHBondContact OD1-CA 3.3Å; R528-G539 WeakPolarHBondContact CD-O 3.3Å; R528-G539 WeakPolarHBondContact CG-O 3.19Å; R528-G539 PolarHBondContact NH1-O 3.3Å; K536-G539 PolarHBondContact O-N 2.89Å; K536-G539 VanDerWaalsContact O-N 3.14Å; W537-G539 PolarHBondContact O-N 2.95Å
540	T	96.5	Very high	95.2	Very high	5 Å²	5	24.1 Å²	24.1	3%	0.031	13%	0.129	C	C	.	.	S	Bend	trans	-96.5	88.1	175.9	-58.1	0	0	0	0	109.6	N403 N405 F525 Q526 H527 T538	N403-T540 HydrophobicContact CB-CG2 4.16Å; N405-T540 CarbonylContact C-O 3.56Å; N405-T540 WeakPolarHBondContact CA-O 3.34Å; N405-T540 WeakPolarHBondContact CB-O 3.13Å; N405-T540 PolarHBondContact N-O 3.47Å; N405-T540 PolarHBondContact OD1-N 3.44Å; F525-T540 HydrophobicContact CD1-CG2 3.31Å; F525-T540 HydrophobicContact CE1-CG2 3.66Å; F525-T540 HydrophobicContact CG-CG2 4.38Å; F525-T540 WeakPolarHBondContact O-CG2 3.31Å; Q526-T540 PolarHBondContact O-OG1 3.14Å; H527-T540 WeakPolarHBondContact O-CG2 3.45Å; H527-T540 PolarHBondContact O-OG1 3.08Å; T538-T540 PolarHBondContact O-N 3.23Å
541	M	96.9	Very high	95.4	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.098	C	C	.	.	B	Isolated β-bridge	trans	-65	158.7	-174.9	-72.4	-175.2	-70.3	0	0	113.5	N403 N405 S408 L532 M534 T538 G543 Y544	N403-M541 PolarHBondContact ND2-O 3.16Å; N405-M541 WeakPolarHBondContact O-CA 3.37Å; S408-M541 WeakPolarHBondContact OG-CG 3.46Å; L532-M541 HydrophobicContact CD2-CE 3.66Å; L532-M541 HydrophobicContact CG-CE 4.43Å; M534-M541 HydrophobicContact CB-CE 3.92Å; M534-M541 HydrophobicContact CG-CE 3.63Å; T538-M541 HydrophobicContact CG2-SD 4.16Å; T538-M541 WeakPolarHBondContact O-CG 3.37Å; M541-G543 PolarHBondContact O-N 2.85Å; M541-Y544 HydrophobicContact CB-CD2 3.36Å; M541-Y544 HydrophobicContact CB-CE2 3.62Å; M541-Y544 HydrophobicContact CB-CG 4.21Å; M541-Y544 HydrophobicContact CE-CD1 4.41Å; M541-Y544 HydrophobicContact CE-CD2 4Å; M541-Y544 HydrophobicContact CE-CE1 3.92Å; M541-Y544 HydrophobicContact CE-CE2 3.41Å; M541-Y544 VanDerWaalsContact CE-CE2 3.41Å; M541-Y544 HydrophobicContact CE-CG 4.44Å; M541-Y544 HydrophobicContact CG-CD2 4.49Å; M541-Y544 HydrophobicContact CG-CE2 4.41Å; M541-Y544 PolarHBondContact O-N 2.65Å; M541-Y544 HydrophobicContact SD-CE2 4.04Å
542	H	98.3	Very high	95.6	Very high	14 Å²	14	16.6 Å²	16.6	7%	0.065	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.6	130.2	169.4	-166.3	65.4	0	0	0	112.9	E276 S277 S303 E406 F410 F492 Y544	E276-H542 IonicContact OE1-CD2 3.85Å; E276-H542 IonicContact OE1-CE1 3.54Å; E276-H542 PolarHBondContact OE1-CE1 3.49Å; E276-H542 VanDerWaalsContact OE1-CE1 3.23Å; E276-H542 IonicContact OE1-CG 3.98Å; E276-H542 IonicContact OE1-ND1 2.76Å; E276-H542 IonicContact OE1-NE2 3.83Å; E276-H542 PolarHBondContact OE1-NE2 3.33Å; S277-H542 WeakPolarHBondContact CB-NE2 3.07Å; S277-H542 PolarHBondContact OG-NE2 3.02Å; S303-H542 PolarHBondContact O-CE1 2.85Å; E406-H542 WeakPolarHBondContact O-CB 3.45Å; E406-H542 IonicContact OE2-CE1 2.73Å; E406-H542 IonicContact OE2-CG 3.34Å; E406-H542 IonicContact OE2-ND1 2.79Å; E406-H542 PolarHBondContact OE2-ND1 2.91Å; F410-H542 HydrophobicContact CE2-CB 3.98Å; F410-H542 AromaticContact CE2-CD2 3.63Å; F410-H542 AromaticContact CE2-CG 3.81Å; F410-H542 AromaticContact CZ-CD2 3.53Å; F410-H542 AromaticContact CZ-NE2 3.87Å; F492-H542 AromaticContact CD1-CE1 3.34Å; F492-H542 WeakPolarHBondContact CD1-CE1 3.43Å; F492-H542 AromaticContact CD1-ND1 3.9Å; F492-H542 AromaticContact CD1-NE2 3.99Å; F492-H542 AromaticContact CE1-CE1 3.38Å; F492-H542 WeakPolarHBondContact CE1-CE1 3.4Å; F492-H542 AromaticContact CE1-NE2 3.54Å; H542-Y544 VanDerWaalsContact C-N 3.31Å; H542-Y544 VanDerWaalsContact O-CD2 3.26Å; H542-Y544 WeakPolarHBondContact O-CD2 3.35Å; H542-Y544 PolarHBondContact O-N 2.76Å
543	G	97.9	Very high	95.8	Very high	2 Å²	2	16 Å²	16	2%	0.021	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	77	-3.3	177.7	0	0	0	0	0	117	E276 N403 M541 E545 I546	E276-G543 WeakPolarHBondContact OE1-CA 3.46Å; E276-G543 PolarHBondContact OE1-N 3.33Å; N403-G543 PolarHBondContact ND2-N 2.93Å; M541-G543 PolarHBondContact O-N 2.85Å; G543-E545 VanDerWaalsContact C-N 3.31Å; G543-E545 WeakPolarHBondContact CA-OE2 3.33Å; G543-E545 PolarHBondContact O-N 3.35Å; G543-I546 VanDerWaalsContact O-CB 3.24Å; G543-I546 WeakPolarHBondContact O-CB 3.38Å; G543-I546 WeakPolarHBondContact O-CD1 3.08Å; G543-I546 WeakPolarHBondContact O-CG1 3.35Å; G543-I546 PolarHBondContact O-N 3.21Å
544	Y	97.3	Very high	96	Very high	6 Å²	6	14.5 Å²	14.5	2%	0.024	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-7	-177.2	-78.8	-98.5	0	0	0	114.4	A150 M153 W154 L532 M541 H542 I546	A150-Y544 HydrophobicContact CB-CE1 4.19Å; A150-Y544 PolarHBondContact O-OH 2.88Å; M153-Y544 HydrophobicContact CE-CD1 3.86Å; M153-Y544 HydrophobicContact CE-CE1 3.36Å; M153-Y544 HydrophobicContact SD-CE1 4.49Å; W154-Y544 AromaticContact NE1-CZ 3.82Å; L532-Y544 HydrophobicContact CD1-CD1 3.81Å; L532-Y544 HydrophobicContact CD1-CE1 3.43Å; L532-Y544 VanDerWaalsContact CD1-CE1 3.43Å; L532-Y544 HydrophobicContact CD2-CD1 4.21Å; L532-Y544 HydrophobicContact CD2-CE1 4.28Å; L532-Y544 HydrophobicContact CG-CE1 4.48Å; M541-Y544 HydrophobicContact CB-CD2 3.36Å; M541-Y544 HydrophobicContact CB-CE2 3.62Å; M541-Y544 HydrophobicContact CB-CG 4.21Å; M541-Y544 HydrophobicContact CE-CD1 4.41Å; M541-Y544 HydrophobicContact CE-CD2 4Å; M541-Y544 HydrophobicContact CE-CE1 3.92Å; M541-Y544 HydrophobicContact CE-CE2 3.41Å; M541-Y544 VanDerWaalsContact CE-CE2 3.41Å; M541-Y544 HydrophobicContact CE-CG 4.44Å; M541-Y544 HydrophobicContact CG-CD2 4.49Å; M541-Y544 HydrophobicContact CG-CE2 4.41Å; M541-Y544 PolarHBondContact O-N 2.65Å; M541-Y544 HydrophobicContact SD-CE2 4.04Å; H542-Y544 VanDerWaalsContact C-N 3.31Å; H542-Y544 VanDerWaalsContact O-CD2 3.26Å; H542-Y544 WeakPolarHBondContact O-CD2 3.35Å; H542-Y544 PolarHBondContact O-N 2.76Å; Y544-I546 VanDerWaalsContact C-N 3.29Å
545	E	97.9	Very high	96.4	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-21.5	169.7	86.6	-70.2	-178.5	0	0	112.1	Q302 N403 Y523 F525 G543 E547 Y548 V549 M576	Q302-E545 WeakPolarHBondContact CB-OE1 3.48Å; Q302-E545 PolarHBondContact NE2-OE1 2.98Å; N403-E545 PolarHBondContact ND2-OE2 2.82Å; N403-E545 PolarHBondContact OD1-OE2 2.99Å; Y523-E545 HydrophobicContact CE2-CG 4.33Å; Y523-E545 PolarHBondContact OH-OE1 3.46Å; F525-E545 HydrophobicContact CB-CB 3.95Å; F525-E545 HydrophobicContact CD1-CB 3.41Å; F525-E545 VanDerWaalsContact CD1-CB 3.41Å; F525-E545 HydrophobicContact CD2-CB 3.99Å; F525-E545 HydrophobicContact CE1-CB 3.82Å; F525-E545 HydrophobicContact CE2-CB 4.34Å; F525-E545 HydrophobicContact CG-CB 3.52Å; F525-E545 HydrophobicContact CZ-CB 4.27Å; G543-E545 VanDerWaalsContact C-N 3.31Å; G543-E545 WeakPolarHBondContact CA-OE2 3.33Å; G543-E545 PolarHBondContact O-N 3.35Å; E545-E547 PolarHBondContact O-N 3.31Å; E545-Y548 WeakPolarHBondContact O-CB 3.2Å; E545-Y548 PolarHBondContact O-N 3.05Å; E545-V549 PolarHBondContact O-N 3.36Å; E545-M576 HydrophobicContact CB-CE 4.21Å
546	I	98.7	Very high	96.7	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-53.1	-40.8	178.5	-66.8	174.3	0	0	0	111	W154 W192 V207 Y208 E276 G543 Y544 Y548 V549 F550	W154-I546 HydrophobicContact CH2-CD1 3.87Å; W154-I546 HydrophobicContact CZ3-CD1 4.28Å; W192-I546 HydrophobicContact CH2-CD1 3.98Å; W192-I546 HydrophobicContact CH2-CG1 4.06Å; W192-I546 HydrophobicContact CZ2-CD1 4Å; W192-I546 HydrophobicContact CZ2-CG1 4.46Å; W192-I546 HydrophobicContact CZ2-CG2 4.49Å; V207-I546 HydrophobicContact CG2-CG2 4.03Å; Y208-I546 HydrophobicContact CD1-CG2 3.94Å; Y208-I546 HydrophobicContact CE1-CD1 4.26Å; Y208-I546 HydrophobicContact CE1-CG2 3.67Å; E276-I546 HydrophobicContact CB-CD1 3.76Å; E276-I546 HydrophobicContact CB-CG1 4.19Å; E276-I546 HydrophobicContact CG-CD1 3.73Å; E276-I546 HydrophobicContact CG-CG1 4.08Å; G543-I546 VanDerWaalsContact O-CB 3.24Å; G543-I546 WeakPolarHBondContact O-CB 3.38Å; G543-I546 WeakPolarHBondContact O-CD1 3.08Å; G543-I546 WeakPolarHBondContact O-CG1 3.35Å; G543-I546 PolarHBondContact O-N 3.21Å; Y544-I546 VanDerWaalsContact C-N 3.29Å; I546-Y548 PolarHBondContact O-N 3.1Å; I546-Y548 VanDerWaalsContact O-N 3.17Å; I546-V549 PolarHBondContact O-N 3.48Å; I546-V549 VanDerWaalsContact O-N 3.09Å; I546-F550 HydrophobicContact CG2-CD2 3.63Å; I546-F550 HydrophobicContact CG2-CE2 3.9Å; I546-F550 WeakPolarHBondContact O-CD2 3.33Å; I546-F550 PolarHBondContact O-N 3.27Å
547	E	98	Very high	96.9	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-54	-39.2	-179.9	-50.8	-176.6	93.2	0	0	111.6	V207 T529 E545 G551 I552 P553 Y563 F565	V207-E547 HydrophobicContact CG2-CG 3.94Å; T529-E547 PolarHBondContact OG1-OE2 2.99Å; E545-E547 PolarHBondContact O-N 3.31Å; E547-G551 PolarHBondContact O-N 2.97Å; E547-I552 HydrophobicContact CB-CB 4.2Å; E547-I552 VanDerWaalsContact O-CB 3.28Å; E547-I552 WeakPolarHBondContact O-CB 3.43Å; E547-I552 PolarHBondContact O-N 3.28Å; E547-P553 WeakPolarHBondContact O-CD 3.38Å; E547-Y563 VanDerWaalsContact OE1-CE2 3.23Å; E547-Y563 WeakPolarHBondContact OE1-CE2 3.39Å; E547-Y563 PolarHBondContact OE1-OH 3.47Å; E547-Y563 PolarHBondContact OE2-OH 3.25Å; E547-F565 HydrophobicContact CB-CZ 4.41Å; E547-F565 WeakPolarHBondContact OE1-CZ 3.42Å
548	Y	98	Very high	97.3	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-80.4	-34.6	-178.5	-60.9	-94.8	0	0	0	111.7	F525 H527 T529 E545 I546 G551 P553 E569 L572 S573 M576	F525-Y548 HydrophobicContact CE1-CD2 4.39Å; F525-Y548 HydrophobicContact CE1-CE2 4.37Å; F525-Y548 HydrophobicContact CE2-CD2 4.13Å; F525-Y548 HydrophobicContact CE2-CG 4.33Å; F525-Y548 AromaticContact CZ-CD2 3.56Å; F525-Y548 HydrophobicContact CZ-CD2 3.56Å; F525-Y548 AromaticContact CZ-CE2 3.63Å; F525-Y548 HydrophobicContact CZ-CE2 3.63Å; F525-Y548 HydrophobicContact CZ-CG 4.19Å; H527-Y548 AromaticContact CD2-CE1 3.98Å; H527-Y548 AromaticContact CD2-CZ 3.57Å; H527-Y548 PolarHBondContact CD2-OH 2.98Å; H527-Y548 PolarHBondContact NE2-OH 3.45Å; T529-Y548 PolarHBondContact OG1-OH 3.44Å; E545-Y548 WeakPolarHBondContact O-CB 3.2Å; E545-Y548 PolarHBondContact O-N 3.05Å; I546-Y548 PolarHBondContact O-N 3.1Å; I546-Y548 VanDerWaalsContact O-N 3.17Å; Y548-G551 PolarHBondContact O-N 3.28Å; Y548-P553 HydrophobicContact CD1-CG 4.16Å; Y548-P553 HydrophobicContact CE1-CG 4.2Å; Y548-E569 HydrophobicContact CE1-CB 3.98Å; Y548-E569 HydrophobicContact CE1-CG 4.26Å; Y548-L572 HydrophobicContact CD1-CB 4.3Å; Y548-L572 HydrophobicContact CD1-CD2 4.04Å; Y548-L572 HydrophobicContact CD1-CG 4.01Å; Y548-L572 HydrophobicContact CE1-CB 4.47Å; Y548-L572 HydrophobicContact CE1-CD2 3.94Å; Y548-L572 HydrophobicContact CE1-CG 4.33Å; Y548-S573 PolarHBondContact O-OG 2.59Å; Y548-M576 WeakPolarHBondContact CB-SD 3.37Å; Y548-M576 HydrophobicContact CG-SD 4.17Å
549	V	98.6	Very high	97.5	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-65.7	-38.6	175.1	177.9	0	0	0	0	111.5	F274 E545 I546 M576 M577 W580	F274-V549 HydrophobicContact CD2-CG1 4.49Å; F274-V549 HydrophobicContact CE2-CG1 4.2Å; E545-V549 PolarHBondContact O-N 3.36Å; I546-V549 PolarHBondContact O-N 3.48Å; I546-V549 VanDerWaalsContact O-N 3.09Å; V549-M576 HydrophobicContact CG2-CE 3.81Å; V549-M577 WeakPolarHBondContact O-CG 3.41Å; V549-W580 VanDerWaalsContact CG1-CD1 3.47Å; V549-W580 HydrophobicContact CG1-CD2 4.48Å; V549-W580 HydrophobicContact CG1-CG 4.01Å; V549-W580 HydrophobicContact CG2-CD2 4.24Å; V549-W580 HydrophobicContact CG2-CH2 4.49Å; V549-W580 HydrophobicContact CG2-CZ2 3.77Å
550	F	98.8	Very high	97.6	Very high	1 Å²	1	16.1 Å²	16.1	0%	0.004	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-8.1	-178.7	-82.8	-93.1	0	0	0	114.4	W192 V207 Y208 A210 L213 F274 I546 I552	W192-F550 HydrophobicContact CB-CZ 4.18Å; W192-F550 AromaticContact CD2-CE2 3.93Å; W192-F550 HydrophobicContact CD2-CE2 3.93Å; W192-F550 AromaticContact CD2-CZ 3.65Å; W192-F550 HydrophobicContact CD2-CZ 3.65Å; W192-F550 AromaticContact CE2-CE2 3.99Å; W192-F550 AromaticContact CE2-CZ 3.96Å; W192-F550 HydrophobicContact CE3-CE2 4.05Å; W192-F550 HydrophobicContact CE3-CZ 4.06Å; W192-F550 HydrophobicContact CG-CE2 4.45Å; W192-F550 AromaticContact CG-CZ 3.7Å; W192-F550 HydrophobicContact CG-CZ 3.7Å; W192-F550 HydrophobicContact CH2-CE2 4.24Å; W192-F550 HydrophobicContact CZ2-CE2 4.18Å; W192-F550 HydrophobicContact CZ3-CE2 4.18Å; V207-F550 WeakPolarHBondContact O-CB 3.49Å; Y208-F550 HydrophobicContact CD1-CD2 4.36Å; Y208-F550 AromaticContact CD1-CE2 3.89Å; Y208-F550 HydrophobicContact CD1-CE2 3.89Å; Y208-F550 AromaticContact CD1-CZ 3.99Å; Y208-F550 HydrophobicContact CD1-CZ 3.99Å; A210-F550 HydrophobicContact CB-CD1 3.98Å; A210-F550 HydrophobicContact CB-CE1 4.05Å; L213-F550 PolarHBondContact N-O 3.39Å; F274-F550 AromaticContact CE2-CE2 3.98Å; F274-F550 HydrophobicContact CE2-CE2 3.98Å; F274-F550 AromaticContact CE2-CZ 3.91Å; F274-F550 HydrophobicContact CE2-CZ 3.91Å; F274-F550 HydrophobicContact CZ-CE1 4.44Å; F274-F550 HydrophobicContact CZ-CE2 4.4Å; F274-F550 AromaticContact CZ-CZ 3.86Å; F274-F550 HydrophobicContact CZ-CZ 3.86Å; I546-F550 HydrophobicContact CG2-CD2 3.63Å; I546-F550 HydrophobicContact CG2-CE2 3.9Å; I546-F550 WeakPolarHBondContact O-CD2 3.33Å; I546-F550 PolarHBondContact O-N 3.27Å; F550-I552 HydrophobicContact CB-CD1 4.29Å; F550-I552 HydrophobicContact CB-CG1 4.02Å
551	G	98.2	Very high	97.6	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.5	19.2	-177.9	0	0	0	0	0	114.3	E547 Y548 P553 F554 S573 M577	E547-G551 PolarHBondContact O-N 2.97Å; Y548-G551 PolarHBondContact O-N 3.28Å; G551-P553 VanDerWaalsContact C-CD 3.44Å; G551-P553 VanDerWaalsContact C-N 3.32Å; G551-F554 WeakPolarHBondContact O-CB 3.27Å; G551-F554 WeakPolarHBondContact O-CD2 3.24Å; G551-F554 PolarHBondContact O-N 2.61Å; G551-S573 WeakPolarHBondContact CA-OG 3.43Å; G551-M577 VanDerWaalsContact CA-SD 3.51Å
552	I	98.2	Very high	97.6	Very high	0 Å²	0	21 Å²	21	0%	0	13%	0.126	C	C	.	.	G	3₁₀ helix	trans	-58.9	-30.7	-177.3	-60.2	-56.9	0	0	0	114.5	S206 V207 D209 E547 F550 F554 S555 F558 F565	S206-I552 WeakPolarHBondContact O-CD1 3.13Å; V207-I552 HydrophobicContact CG2-CG1 4.26Å; V207-I552 WeakPolarHBondContact O-CD1 3.27Å; V207-I552 WeakPolarHBondContact O-CG1 3.43Å; D209-I552 HydrophobicContact CB-CD1 4.34Å; E547-I552 HydrophobicContact CB-CB 4.2Å; E547-I552 VanDerWaalsContact O-CB 3.28Å; E547-I552 WeakPolarHBondContact O-CB 3.43Å; E547-I552 PolarHBondContact O-N 3.28Å; F550-I552 HydrophobicContact CB-CD1 4.29Å; F550-I552 HydrophobicContact CB-CG1 4.02Å; I552-F554 PolarHBondContact O-N 2.92Å; I552-S555 WeakPolarHBondContact O-CB 3.35Å; I552-S555 PolarHBondContact O-N 2.92Å; I552-F558 HydrophobicContact CG2-CB 3.78Å; I552-F558 HydrophobicContact CG2-CD1 3.32Å; I552-F558 HydrophobicContact CG2-CD2 3.53Å; I552-F558 HydrophobicContact CG2-CE1 3.66Å; I552-F558 HydrophobicContact CG2-CE2 3.86Å; I552-F558 HydrophobicContact CG2-CG 3.24Å; I552-F558 HydrophobicContact CG2-CZ 3.91Å; I552-F565 HydrophobicContact CG2-CE2 4.07Å; I552-F565 HydrophobicContact CG2-CZ 4.23Å
553	P	97.1	Very high	97.6	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	13%	0.125	C	C	.	.	G	3₁₀ helix	trans	-53.9	-18.1	169.3	-33.1	39.7	0	0	0	115.7	E547 Y548 G551 Q559 F565 R570	E547-P553 WeakPolarHBondContact O-CD 3.38Å; Y548-P553 HydrophobicContact CD1-CG 4.16Å; Y548-P553 HydrophobicContact CE1-CG 4.2Å; G551-P553 VanDerWaalsContact C-CD 3.44Å; G551-P553 VanDerWaalsContact C-N 3.32Å; P553-Q559 PolarHBondContact O-NE2 3.05Å; P553-F565 HydrophobicContact CB-CB 3.82Å; P553-F565 HydrophobicContact CB-CD1 4.13Å; P553-F565 HydrophobicContact CB-CD2 4.22Å; P553-F565 HydrophobicContact CB-CG 3.8Å; P553-F565 HydrophobicContact CG-CB 4.35Å; P553-F565 HydrophobicContact CG-CD1 3.71Å; P553-F565 HydrophobicContact CG-CD2 4.34Å; P553-F565 HydrophobicContact CG-CE1 3.99Å; P553-F565 HydrophobicContact CG-CG 3.88Å; P553-F565 HydrophobicContact CG-CZ 4.42Å; P553-R570 HydrophobicContact CB-CG 3.84Å; P553-R570 PolarHBondContact O-NE 2.69Å; P553-R570 VanDerWaalsContact O-NE 3.08Å
554	F	97.5	Very high	97.5	Very high	15 Å²	15	29.6 Å²	29.6	7%	0.066	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-94.3	-9	174.4	-60.3	-78.6	0	0	0	114	W88 P89 F212 G551 I552 P556 R570 D574 M577	W88-F554 HydrophobicContact CE3-CB 4.25Å; W88-F554 AromaticContact CE3-CD1 3.92Å; W88-F554 HydrophobicContact CE3-CD1 3.92Å; W88-F554 HydrophobicContact CE3-CE1 4.47Å; W88-F554 HydrophobicContact CE3-CG 4.08Å; W88-F554 HydrophobicContact CZ3-CB 3.92Å; W88-F554 HydrophobicContact CZ3-CD1 4.07Å; W88-F554 HydrophobicContact CZ3-CD2 4.15Å; W88-F554 AromaticContact CZ3-CG 3.79Å; W88-F554 HydrophobicContact CZ3-CG 3.79Å; P89-F554 HydrophobicContact CG-CD1 4.43Å; F212-F554 HydrophobicContact CD1-CB 3.5Å; F212-F554 HydrophobicContact CE1-CB 3.95Å; F212-F554 VanDerWaalsContact CE1-O 3.29Å; F212-F554 WeakPolarHBondContact CE1-O 3.3Å; F212-F554 HydrophobicContact CG-CB 4.22Å; G551-F554 WeakPolarHBondContact O-CB 3.27Å; G551-F554 WeakPolarHBondContact O-CD2 3.24Å; G551-F554 PolarHBondContact O-N 2.61Å; I552-F554 PolarHBondContact O-N 2.92Å; F554-P556 WeakPolarHBondContact O-CD 3.35Å; F554-R570 HydrophobicContact CD1-CB 4.43Å; F554-R570 HydrophobicContact CD1-CG 4.17Å; F554-R570 HydrophobicContact CE1-CB 3.71Å; F554-R570 HydrophobicContact CE1-CG 3.94Å; F554-R570 HydrophobicContact CE2-CB 4.37Å; F554-R570 HydrophobicContact CZ-CB 3.67Å; F554-R570 HydrophobicContact CZ-CG 4.23Å; F554-R570 WeakPolarHBondContact CZ-O 3.46Å; F554-D574 WeakPolarHBondContact CZ-OD1 3.06Å; F554-M577 HydrophobicContact CD2-CE 4.01Å; F554-M577 HydrophobicContact CE2-CE 3.62Å
555	S	97.2	Very high	97.5	Very high	2 Å²	2	29.9 Å²	29.9	1%	0.014	16%	0.159	C	C	.	.			trans	-80.9	113	-177.3	-179.7	0	0	0	0	112.7	F212 I552 Q557 F558 Q559	F212-S555 VanDerWaalsContact CE2-CB 3.47Å; I552-S555 WeakPolarHBondContact O-CB 3.35Å; I552-S555 PolarHBondContact O-N 2.92Å; S555-Q557 VanDerWaalsContact C-N 3.33Å; S555-F558 WeakPolarHBondContact OG-CB 3.35Å; S555-F558 PolarHBondContact OG-N 3.48Å; S555-F558 VanDerWaalsContact OG-N 3.12Å; S555-Q559 VanDerWaalsContact O-CG 3.26Å; S555-Q559 WeakPolarHBondContact O-CG 3.26Å; S555-Q559 PolarHBondContact O-N 2.91Å; S555-Q559 PolarHBondContact O-NE2 3.22Å
556	P	95.7	Very high	97.3	Very high	67 Å²	67	32 Å²	32	44%	0.435	17%	0.172	S	C	.	.	H	α-helix	trans	-68.3	-35.1	174.1	-19.1	34.5	0	0	0	111.5	F554 Q559 A560	F554-P556 WeakPolarHBondContact O-CD 3.35Å; P556-Q559 PolarHBondContact O-N 3.46Å; P556-A560 WeakPolarHBondContact O-CB 3.44Å; P556-A560 PolarHBondContact O-N 3.23Å
557	Q	95.6	Very high	97.1	Very high	101 Å²	101	36.4 Å²	36.4	47%	0.472	20%	0.196	S	C	.	.	H	α-helix	trans	-67.6	-42.1	-178.3	-61.8	79.6	21.3	0	0	111.6	S555 A560 S561	S555-Q557 VanDerWaalsContact C-N 3.33Å; Q557-A560 PolarHBondContact O-N 2.88Å; Q557-S561 WeakPolarHBondContact O-CB 3.21Å; Q557-S561 PolarHBondContact O-N 3.45Å; Q557-S561 PolarHBondContact O-OG 3.49Å
558	F	98	Very high	96.8	Very high	2 Å²	2	40.3 Å²	40.3	1%	0.009	21%	0.214	C	C	.	.	H	α-helix	trans	-62.9	-47.7	173.9	-173.8	-82.8	0	0	0	110.7	M153 V207 I552 S555 A560 S561 F562 Y563 F565	M153-F558 HydrophobicContact CB-CE2 4.34Å; M153-F558 HydrophobicContact CB-CZ 4.47Å; M153-F558 HydrophobicContact SD-CE2 4.35Å; M153-F558 HydrophobicContact SD-CZ 3.78Å; V207-F558 HydrophobicContact CB-CE2 4.07Å; V207-F558 HydrophobicContact CG2-CE2 4.35Å; I552-F558 HydrophobicContact CG2-CB 3.78Å; I552-F558 HydrophobicContact CG2-CD1 3.32Å; I552-F558 HydrophobicContact CG2-CD2 3.53Å; I552-F558 HydrophobicContact CG2-CE1 3.66Å; I552-F558 HydrophobicContact CG2-CE2 3.86Å; I552-F558 HydrophobicContact CG2-CG 3.24Å; I552-F558 HydrophobicContact CG2-CZ 3.91Å; S555-F558 WeakPolarHBondContact OG-CB 3.35Å; S555-F558 PolarHBondContact OG-N 3.48Å; S555-F558 VanDerWaalsContact OG-N 3.12Å; F558-A560 VanDerWaalsContact C-N 3.27Å; F558-A560 PolarHBondContact O-N 3.02Å; F558-S561 PolarHBondContact O-N 3.37Å; F558-F562 HydrophobicContact CD1-CB 4.24Å; F558-F562 HydrophobicContact CD1-CD2 4.08Å; F558-F562 AromaticContact CD2-CD2 3.47Å; F558-F562 HydrophobicContact CD2-CD2 3.47Å; F558-F562 VanDerWaalsContact CD2-CD2 3.47Å; F558-F562 AromaticContact CD2-CE2 3.82Å; F558-F562 HydrophobicContact CD2-CE2 3.82Å; F558-F562 HydrophobicContact CD2-CG 4.5Å; F558-F562 HydrophobicContact CE1-CB 3.88Å; F558-F562 HydrophobicContact CE1-CD2 4.14Å; F558-F562 HydrophobicContact CE1-CG 4.38Å; F558-F562 AromaticContact CE2-CD2 3.52Å; F558-F562 HydrophobicContact CE2-CD2 3.52Å; F558-F562 AromaticContact CE2-CE2 3.96Å; F558-F562 HydrophobicContact CE2-CE2 3.96Å; F558-F562 HydrophobicContact CE2-CG 4.21Å; F558-F562 AromaticContact CG-CD2 3.76Å; F558-F562 HydrophobicContact CG-CD2 3.76Å; F558-F562 HydrophobicContact CG-CE2 4.44Å; F558-F562 HydrophobicContact CZ-CB 4.06Å; F558-F562 AromaticContact CZ-CD2 3.88Å; F558-F562 HydrophobicContact CZ-CD2 3.88Å; F558-F562 HydrophobicContact CZ-CG 4.17Å; F558-F562 WeakPolarHBondContact O-CD2 3.37Å; F558-F562 PolarHBondContact O-N 3.03Å; F558-Y563 HydrophobicContact CE1-CD2 4.49Å; F558-Y563 HydrophobicContact CE1-CE2 4.16Å; F558-F565 AromaticContact CD1-CE2 3.87Å; F558-F565 HydrophobicContact CD1-CE2 3.87Å; F558-F565 HydrophobicContact CD1-CZ 4.44Å; F558-F565 AromaticContact CE1-CE2 3.84Å; F558-F565 HydrophobicContact CE1-CE2 3.84Å; F558-F565 AromaticContact CE1-CZ 3.99Å; F558-F565 HydrophobicContact CE1-CZ 3.99Å
559	Q	97.4	Very high	96.7	Very high	35 Å²	35	40.3 Å²	40.3	16%	0.164	21%	0.214	C	C	.	.	H	α-helix	trans	-63.8	-31.1	-178.4	-71.2	177.3	84.6	0	0	113.7	P553 S555 P556 Y563 F565	P553-Q559 PolarHBondContact O-NE2 3.05Å; S555-Q559 VanDerWaalsContact O-CG 3.26Å; S555-Q559 WeakPolarHBondContact O-CG 3.26Å; S555-Q559 PolarHBondContact O-N 2.91Å; S555-Q559 PolarHBondContact O-NE2 3.22Å; P556-Q559 PolarHBondContact O-N 3.46Å; Q559-Y563 WeakPolarHBondContact CA-O 3.04Å; Q559-F565 HydrophobicContact CG-CD2 3.85Å; Q559-F565 HydrophobicContact CG-CE2 4.28Å
560	A	97	Very high	96.5	Very high	89 Å²	89	42.2 Å²	42.2	74%	0.736	22%	0.221	S	C	*	.	H	α-helix	trans	-71.7	-32.9	173.6	0	0	0	0	0	112.8	P556 Q557 F558	P556-A560 WeakPolarHBondContact O-CB 3.44Å; P556-A560 PolarHBondContact O-N 3.23Å; Q557-A560 PolarHBondContact O-N 2.88Å; F558-A560 VanDerWaalsContact C-N 3.27Å; F558-A560 PolarHBondContact O-N 3.02Å
561	S	96.9	Very high	96.3	Very high	67 Å²	67	46.9 Å²	46.9	47%	0.469	24%	0.243	S	C	.	.	H	α-helix	trans	-92.9	-26.7	-173.2	-53.5	0	0	0	0	113.8	R152 Q557 F558	R152-S561 PolarHBondContact NH1-O 3.1Å; Q557-S561 WeakPolarHBondContact O-CB 3.21Å; Q557-S561 PolarHBondContact O-N 3.45Å; Q557-S561 PolarHBondContact O-OG 3.49Å; F558-S561 PolarHBondContact O-N 3.37Å
562	F	97.5	Very high	96.1	Very high	39 Å²	39	46.9 Å²	46.9	17%	0.171	24%	0.243	C	C	.	.	S	Bend	trans	-124.7	-86.1	-172.4	-53.7	-73.7	0	0	0	113.5	A149 R152 M153 F558	A149-F562 HydrophobicContact CB-CB 4.09Å; A149-F562 HydrophobicContact CB-CD1 4.31Å; A149-F562 VanDerWaalsContact CB-O 3.32Å; A149-F562 WeakPolarHBondContact CB-O 3.2Å; A149-F562 WeakPolarHBondContact O-CD1 3.19Å; R152-F562 HydrophobicContact CB-CE1 4.32Å; M153-F562 VanDerWaalsContact CA-CE1 3.41Å; M153-F562 HydrophobicContact CB-CD1 3.75Å; M153-F562 HydrophobicContact CB-CD2 4.47Å; M153-F562 HydrophobicContact CB-CE1 3.69Å; M153-F562 HydrophobicContact CB-CE2 4.42Å; M153-F562 HydrophobicContact CB-CG 4.15Å; M153-F562 HydrophobicContact CB-CZ 4.04Å; F558-F562 HydrophobicContact CD1-CB 4.24Å; F558-F562 HydrophobicContact CD1-CD2 4.08Å; F558-F562 AromaticContact CD2-CD2 3.47Å; F558-F562 HydrophobicContact CD2-CD2 3.47Å; F558-F562 VanDerWaalsContact CD2-CD2 3.47Å; F558-F562 AromaticContact CD2-CE2 3.82Å; F558-F562 HydrophobicContact CD2-CE2 3.82Å; F558-F562 HydrophobicContact CD2-CG 4.5Å; F558-F562 HydrophobicContact CE1-CB 3.88Å; F558-F562 HydrophobicContact CE1-CD2 4.14Å; F558-F562 HydrophobicContact CE1-CG 4.38Å; F558-F562 AromaticContact CE2-CD2 3.52Å; F558-F562 HydrophobicContact CE2-CD2 3.52Å; F558-F562 AromaticContact CE2-CE2 3.96Å; F558-F562 HydrophobicContact CE2-CE2 3.96Å; F558-F562 HydrophobicContact CE2-CG 4.21Å; F558-F562 AromaticContact CG-CD2 3.76Å; F558-F562 HydrophobicContact CG-CD2 3.76Å; F558-F562 HydrophobicContact CG-CE2 4.44Å; F558-F562 HydrophobicContact CZ-CB 4.06Å; F558-F562 AromaticContact CZ-CD2 3.88Å; F558-F562 HydrophobicContact CZ-CD2 3.88Å; F558-F562 HydrophobicContact CZ-CG 4.17Å; F558-F562 WeakPolarHBondContact O-CD2 3.37Å; F558-F562 PolarHBondContact O-N 3.03Å
563	Y	97.4	Very high	96	Very high	12 Å²	12	46.9 Å²	46.9	5%	0.047	24%	0.243	C	C	.	.			trans	-157.5	166.1	-179.4	52.1	-98.2	0	0	0	111.8	A149 A150 M153 T529 L532 P533 E547 F558 Q559 F565	A149-Y563 HydrophobicContact CB-CD1 4.22Å; A150-Y563 HydrophobicContact CB-CD1 4.47Å; A150-Y563 HydrophobicContact CB-CE1 3.82Å; M153-Y563 WeakPolarHBondContact CE-OH 3.45Å; M153-Y563 HydrophobicContact SD-CE1 3.9Å; M153-Y563 PolarHBondContact SD-OH 2.97Å; T529-Y563 HydrophobicContact CG2-CD2 4.03Å; T529-Y563 HydrophobicContact CG2-CE2 3.87Å; L532-Y563 HydrophobicContact CD1-CE1 3.96Å; L532-Y563 HydrophobicContact CD1-CE2 4.19Å; P533-Y563 VanDerWaalsContact CD-CD1 3.48Å; P533-Y563 HydrophobicContact CG-CD1 3.96Å; E547-Y563 VanDerWaalsContact OE1-CE2 3.23Å; E547-Y563 WeakPolarHBondContact OE1-CE2 3.39Å; E547-Y563 PolarHBondContact OE1-OH 3.47Å; E547-Y563 PolarHBondContact OE2-OH 3.25Å; F558-Y563 HydrophobicContact CE1-CD2 4.49Å; F558-Y563 HydrophobicContact CE1-CE2 4.16Å; Q559-Y563 WeakPolarHBondContact CA-O 3.04Å; Y563-F565 HydrophobicContact CD2-CE2 4.39Å; Y563-F565 HydrophobicContact CD2-CZ 4.13Å; Y563-F565 HydrophobicContact CE2-CE1 4.1Å; Y563-F565 HydrophobicContact CE2-CE2 4.32Å; Y563-F565 AromaticContact CE2-CZ 3.67Å; Y563-F565 HydrophobicContact CE2-CZ 3.67Å
564	R	97.2	Very high	95.9	Very high	186 Å²	186	48.3 Å²	48.3	70%	0.702	25%	0.251	S	S	*	.			trans	-98.2	159.7	-166.9	-64.1	-176.1	-178.9	176.7	-0.1	113.6	S531	S531-R564 WeakPolarHBondContact CB-O 3.48Å; S531-R564 PolarHBondContact OG-N 2.9Å; S531-R564 VanDerWaalsContact OG-N 3.15Å; S531-R564 PolarHBondContact OG-O 3.14Å
565	F	96.3	Very high	95.8	Very high	11 Å²	11	47.9 Å²	47.9	5%	0.048	25%	0.249	C	C	.	.			trans	-121.7	149.3	175.4	-59.9	-92.7	0	0	0	112.1	T529 E547 I552 P553 F558 Q559 Y563 E569 R570	T529-F565 HydrophobicContact CG2-CD1 3.66Å; T529-F565 HydrophobicContact CG2-CE1 3.56Å; T529-F565 HydrophobicContact CG2-CZ 4.44Å; E547-F565 HydrophobicContact CB-CZ 4.41Å; E547-F565 WeakPolarHBondContact OE1-CZ 3.42Å; I552-F565 HydrophobicContact CG2-CE2 4.07Å; I552-F565 HydrophobicContact CG2-CZ 4.23Å; P553-F565 HydrophobicContact CB-CB 3.82Å; P553-F565 HydrophobicContact CB-CD1 4.13Å; P553-F565 HydrophobicContact CB-CD2 4.22Å; P553-F565 HydrophobicContact CB-CG 3.8Å; P553-F565 HydrophobicContact CG-CB 4.35Å; P553-F565 HydrophobicContact CG-CD1 3.71Å; P553-F565 HydrophobicContact CG-CD2 4.34Å; P553-F565 HydrophobicContact CG-CE1 3.99Å; P553-F565 HydrophobicContact CG-CG 3.88Å; P553-F565 HydrophobicContact CG-CZ 4.42Å; F558-F565 AromaticContact CD1-CE2 3.87Å; F558-F565 HydrophobicContact CD1-CE2 3.87Å; F558-F565 HydrophobicContact CD1-CZ 4.44Å; F558-F565 AromaticContact CE1-CE2 3.84Å; F558-F565 HydrophobicContact CE1-CE2 3.84Å; F558-F565 AromaticContact CE1-CZ 3.99Å; F558-F565 HydrophobicContact CE1-CZ 3.99Å; Q559-F565 HydrophobicContact CG-CD2 3.85Å; Q559-F565 HydrophobicContact CG-CE2 4.28Å; Y563-F565 HydrophobicContact CD2-CE2 4.39Å; Y563-F565 HydrophobicContact CD2-CZ 4.13Å; Y563-F565 HydrophobicContact CE2-CE1 4.1Å; Y563-F565 HydrophobicContact CE2-CE2 4.32Å; Y563-F565 AromaticContact CE2-CZ 3.67Å; Y563-F565 HydrophobicContact CE2-CZ 3.67Å; F565-E569 WeakPolarHBondContact CA-OE2 3.31Å; F565-E569 HydrophobicContact CB-CB 4.12Å; F565-E569 WeakPolarHBondContact CB-OE2 3.34Å; F565-E569 HydrophobicContact CD1-CB 4.32Å; F565-R570 PolarHBondContact O-NH2 3.37Å
566	T	95.1	Very high	95.8	Very high	44 Å²	44	47.8 Å²	47.8	27%	0.27	25%	0.248	S	C	.	.			trans	-80.4	168.6	174.3	81.8	0	0	0	0	111.6	V530 E568 E569 R570	V530-T566 HydrophobicContact CB-CG2 4.21Å; V530-T566 HydrophobicContact CG2-CG2 4.12Å; T566-E568 VanDerWaalsContact C-N 3.28Å; T566-E568 WeakPolarHBondContact CB-OE2 3.46Å; T566-E568 PolarHBondContact O-N 3.29Å; T566-E568 PolarHBondContact OG1-N 3.14Å; T566-E568 PolarHBondContact OG1-OE2 3.29Å; T566-E569 PolarHBondContact N-OE2 3.28Å; T566-E569 PolarHBondContact O-N 3.25Å; T566-E569 PolarHBondContact OG1-N 3.39Å; T566-R570 PolarHBondContact O-N 3.16Å; T566-R570 VanDerWaalsContact O-N 3.12Å
567	D	93	Very high	95.9	Very high	94 Å²	94	44.6 Å²	44.6	50%	0.503	23%	0.227	S	C	.	.	H	α-helix	trans	-66.3	-32.8	175.5	-71.9	-34.3	0	0	0	112	E569 R570 Q571	D567-E569 VanDerWaalsContact C-N 3.31Å; D567-E569 PolarHBondContact O-N 3.1Å; D567-R570 WeakPolarHBondContact O-CB 3.46Å; D567-R570 PolarHBondContact O-N 3.11Å; D567-R570 IonicContact OD1-CZ 2.83Å; D567-R570 IonicContact OD1-NH1 2.62Å; D567-R570 PolarHBondContact OD1-NH1 3.06Å; D567-Q571 WeakPolarHBondContact O-CG 3.36Å; D567-Q571 PolarHBondContact O-N 3.13Å
568	E	92.8	Very high	96	Very high	81 Å²	81	40.7 Å²	40.7	38%	0.379	21%	0.21	S	C	.	.	H	α-helix	trans	-69.9	-30.8	175.8	-53.7	76.2	-168	0	0	112.1	T566 Q571 L572 A648	T566-E568 VanDerWaalsContact C-N 3.28Å; T566-E568 WeakPolarHBondContact CB-OE2 3.46Å; T566-E568 PolarHBondContact O-N 3.29Å; T566-E568 PolarHBondContact OG1-N 3.14Å; T566-E568 PolarHBondContact OG1-OE2 3.29Å; E568-Q571 PolarHBondContact O-N 3.45Å; E568-L572 PolarHBondContact O-N 2.81Å; E568-A648 HydrophobicContact CB-CB 3.33Å; E568-A648 HydrophobicContact CG-CB 4.25Å
569	E	95.4	Very high	96	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.005	21%	0.21	C	C	.	.	H	α-helix	trans	-70.8	-33.6	172.4	-72.3	173.7	155.7	0	0	112.1	H527 T529 V530 Y548 F565 T566 D567 L572 S573	H527-E569 IonicContact CE1-OE1 3.55Å; H527-E569 WeakPolarHBondContact NE2-CG 3.37Å; H527-E569 IonicContact NE2-OE1 2.81Å; H527-E569 PolarHBondContact NE2-OE1 2.71Å; T529-E569 WeakPolarHBondContact CA-OE1 3.4Å; V530-E569 PolarHBondContact N-OE1 2.71Å; Y548-E569 HydrophobicContact CE1-CB 3.98Å; Y548-E569 HydrophobicContact CE1-CG 4.26Å; F565-E569 WeakPolarHBondContact CA-OE2 3.31Å; F565-E569 HydrophobicContact CB-CB 4.12Å; F565-E569 WeakPolarHBondContact CB-OE2 3.34Å; F565-E569 HydrophobicContact CD1-CB 4.32Å; T566-E569 PolarHBondContact N-OE2 3.28Å; T566-E569 PolarHBondContact O-N 3.25Å; T566-E569 PolarHBondContact OG1-N 3.39Å; D567-E569 VanDerWaalsContact C-N 3.31Å; D567-E569 PolarHBondContact O-N 3.1Å; E569-L572 PolarHBondContact O-N 3.25Å; E569-S573 WeakPolarHBondContact O-CB 3.36Å; E569-S573 PolarHBondContact O-N 3.46Å
570	R	94.6	Very high	96.1	Very high	39 Å²	39	38.9 Å²	38.9	15%	0.147	20%	0.202	C	C	.	.	H	α-helix	trans	-63.9	-42.7	169.2	-70.1	178.5	-169	98	17	111.5	P553 F554 F565 T566 D567 S573 D574	P553-R570 HydrophobicContact CB-CG 3.84Å; P553-R570 PolarHBondContact O-NE 2.69Å; P553-R570 VanDerWaalsContact O-NE 3.08Å; F554-R570 HydrophobicContact CD1-CB 4.43Å; F554-R570 HydrophobicContact CD1-CG 4.17Å; F554-R570 HydrophobicContact CE1-CB 3.71Å; F554-R570 HydrophobicContact CE1-CG 3.94Å; F554-R570 HydrophobicContact CE2-CB 4.37Å; F554-R570 HydrophobicContact CZ-CB 3.67Å; F554-R570 HydrophobicContact CZ-CG 4.23Å; F554-R570 WeakPolarHBondContact CZ-O 3.46Å; F565-R570 PolarHBondContact O-NH2 3.37Å; T566-R570 PolarHBondContact O-N 3.16Å; T566-R570 VanDerWaalsContact O-N 3.12Å; D567-R570 WeakPolarHBondContact O-CB 3.46Å; D567-R570 PolarHBondContact O-N 3.11Å; D567-R570 IonicContact OD1-CZ 2.83Å; D567-R570 IonicContact OD1-NH1 2.62Å; D567-R570 PolarHBondContact OD1-NH1 3.06Å; R570-S573 WeakPolarHBondContact O-CB 3.49Å; R570-S573 PolarHBondContact O-N 3.3Å; R570-D574 PolarHBondContact O-N 3.15Å
571	Q	93.6	Very high	96.2	Very high	99 Å²	99	34.7 Å²	34.7	46%	0.463	17%	0.167	S	C	.	.	H	α-helix	trans	-62.6	-43.7	174.7	-68.9	171.1	14.6	0	0	112	D567 E568 S573 D574 I575	D567-Q571 WeakPolarHBondContact O-CG 3.36Å; D567-Q571 PolarHBondContact O-N 3.13Å; E568-Q571 PolarHBondContact O-N 3.45Å; Q571-S573 VanDerWaalsContact C-N 3.31Å; Q571-S573 PolarHBondContact O-N 3.41Å; Q571-D574 PolarHBondContact O-N 3.21Å; Q571-I575 WeakPolarHBondContact O-CD1 3.42Å; Q571-I575 VanDerWaalsContact O-CG1 3.3Å; Q571-I575 WeakPolarHBondContact O-CG1 3.39Å; Q571-I575 PolarHBondContact O-N 3.5Å; Q571-I575 VanDerWaalsContact O-N 3.08Å
572	L	95.5	Very high	96.2	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-59.9	-43.3	175	178.5	58.9	0	0	0	111.6	F525 H527 Y548 E568 E569 I575 M576 F645	F525-L572 HydrophobicContact CE2-CD2 4Å; H527-L572 HydrophobicContact CB-CD2 3.73Å; Y548-L572 HydrophobicContact CD1-CB 4.3Å; Y548-L572 HydrophobicContact CD1-CD2 4.04Å; Y548-L572 HydrophobicContact CD1-CG 4.01Å; Y548-L572 HydrophobicContact CE1-CB 4.47Å; Y548-L572 HydrophobicContact CE1-CD2 3.94Å; Y548-L572 HydrophobicContact CE1-CG 4.33Å; E568-L572 PolarHBondContact O-N 2.81Å; E569-L572 PolarHBondContact O-N 3.25Å; L572-I575 PolarHBondContact O-N 3.16Å; L572-M576 HydrophobicContact CD1-CG 4.4Å; L572-M576 HydrophobicContact CD1-SD 4.38Å; L572-M576 HydrophobicContact CG-SD 4.33Å; L572-M576 WeakPolarHBondContact O-CG 3.42Å; L572-M576 PolarHBondContact O-N 3.36Å; L572-F645 HydrophobicContact CD1-CB 4.37Å; L572-F645 HydrophobicContact CD1-CD1 4Å
573	S	96.1	Very high	96.3	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-60.3	-46.2	175.7	-173.4	0	0	0	0	112	Y548 G551 E569 R570 Q571 I575 M576 M577	Y548-S573 PolarHBondContact O-OG 2.59Å; G551-S573 WeakPolarHBondContact CA-OG 3.43Å; E569-S573 WeakPolarHBondContact O-CB 3.36Å; E569-S573 PolarHBondContact O-N 3.46Å; R570-S573 WeakPolarHBondContact O-CB 3.49Å; R570-S573 PolarHBondContact O-N 3.3Å; Q571-S573 VanDerWaalsContact C-N 3.31Å; Q571-S573 PolarHBondContact O-N 3.41Å; S573-I575 VanDerWaalsContact C-N 3.3Å; S573-I575 PolarHBondContact O-N 3.08Å; S573-M576 PolarHBondContact O-N 3.46Å; S573-M577 WeakPolarHBondContact O-CB 3.3Å; S573-M577 VanDerWaalsContact O-CG 3.31Å; S573-M577 WeakPolarHBondContact O-CG 3.29Å; S573-M577 PolarHBondContact O-N 3.39Å
574	D	94.5	Very high	96.3	Very high	31 Å²	31	29.1 Å²	29.1	17%	0.166	14%	0.135	C	C	.	.	H	α-helix	trans	-56.8	-42.6	174.9	-92.7	-16.2	0	0	0	112.7	R216 F554 R570 Q571 M577 T578	R216-D574 IonicContact CZ-OD1 3.29Å; R216-D574 IonicContact CZ-OD2 3.93Å; R216-D574 IonicContact NE-OD1 3.86Å; R216-D574 PolarHBondContact NE-OD1 3.39Å; R216-D574 IonicContact NE-OD2 2.92Å; R216-D574 VanDerWaalsContact NH2-CG 3.3Å; R216-D574 IonicContact NH2-OD1 3.15Å; R216-D574 PolarHBondContact NH2-OD1 3Å; R216-D574 IonicContact NH2-OD2 2.77Å; R216-D574 PolarHBondContact NH2-OD2 2.96Å; F554-D574 WeakPolarHBondContact CZ-OD1 3.06Å; R570-D574 PolarHBondContact O-N 3.15Å; Q571-D574 PolarHBondContact O-N 3.21Å; D574-M577 WeakPolarHBondContact OD1-CE 3.43Å; D574-T578 WeakPolarHBondContact O-CB 3.11Å; D574-T578 PolarHBondContact O-N 3.25Å; D574-T578 PolarHBondContact O-OG1 3.39Å
575	I	95.2	Very high	96.3	Very high	5 Å²	5	21.5 Å²	21.5	3%	0.026	11%	0.106	C	C	.	.	H	α-helix	trans	-66	-46	178.6	-66.4	160.3	0	0	0	110.8	Q571 L572 S573 T578 Y579 P628 F629 F645 A650 L652	Q571-I575 WeakPolarHBondContact O-CD1 3.42Å; Q571-I575 VanDerWaalsContact O-CG1 3.3Å; Q571-I575 WeakPolarHBondContact O-CG1 3.39Å; Q571-I575 PolarHBondContact O-N 3.5Å; Q571-I575 VanDerWaalsContact O-N 3.08Å; L572-I575 PolarHBondContact O-N 3.16Å; S573-I575 VanDerWaalsContact C-N 3.3Å; S573-I575 PolarHBondContact O-N 3.08Å; I575-T578 PolarHBondContact O-N 3.17Å; I575-Y579 HydrophobicContact CG2-CD2 3.85Å; I575-Y579 HydrophobicContact CG2-CE2 3.48Å; I575-Y579 VanDerWaalsContact CG2-CE2 3.48Å; I575-Y579 VanDerWaalsContact O-CD2 3.25Å; I575-Y579 WeakPolarHBondContact O-CD2 3.39Å; I575-Y579 PolarHBondContact O-N 2.69Å; I575-Y579 VanDerWaalsContact O-N 3.11Å; I575-P628 HydrophobicContact CD1-CB 3.73Å; I575-P628 HydrophobicContact CD1-CG 4.15Å; I575-P628 HydrophobicContact CG1-CB 4.33Å; I575-P628 HydrophobicContact CG1-CG 4.24Å; I575-F629 HydrophobicContact CB-CE1 4.2Å; I575-F629 HydrophobicContact CG1-CE1 4.26Å; I575-F629 HydrophobicContact CG1-CZ 4.21Å; I575-F629 HydrophobicContact CG2-CD1 4.09Å; I575-F629 HydrophobicContact CG2-CE1 3.85Å; I575-F645 HydrophobicContact CG2-CE1 4.25Å; I575-A650 HydrophobicContact CD1-CB 3.25Å; I575-L652 HydrophobicContact CD1-CD1 4.15Å; I575-L652 HydrophobicContact CG2-CD1 4.24Å; I575-L652 HydrophobicContact CG2-CD2 3.77Å
576	M	97.6	Very high	96.4	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-64.1	-49	178.4	-71.8	-176.8	65.9	0	0	111.7	F525 E545 Y548 V549 L572 S573 T578 Y579 W580 F645	F525-M576 HydrophobicContact CD2-CE 4.08Å; F525-M576 HydrophobicContact CD2-SD 3.86Å; F525-M576 HydrophobicContact CE2-CE 4.29Å; F525-M576 HydrophobicContact CE2-SD 3.65Å; E545-M576 HydrophobicContact CB-CE 4.21Å; Y548-M576 WeakPolarHBondContact CB-SD 3.37Å; Y548-M576 HydrophobicContact CG-SD 4.17Å; V549-M576 HydrophobicContact CG2-CE 3.81Å; L572-M576 HydrophobicContact CD1-CG 4.4Å; L572-M576 HydrophobicContact CD1-SD 4.38Å; L572-M576 HydrophobicContact CG-SD 4.33Å; L572-M576 WeakPolarHBondContact O-CG 3.42Å; L572-M576 PolarHBondContact O-N 3.36Å; S573-M576 PolarHBondContact O-N 3.46Å; M576-T578 PolarHBondContact O-N 3.19Å; M576-Y579 PolarHBondContact O-N 3.26Å; M576-W580 HydrophobicContact CB-CE3 4.4Å; M576-W580 HydrophobicContact CB-CZ3 4.22Å; M576-W580 HydrophobicContact CE-CH2 3.73Å; M576-W580 HydrophobicContact CE-CZ2 4.23Å; M576-W580 HydrophobicContact CE-CZ3 4.16Å; M576-W580 HydrophobicContact CG-CZ3 4.34Å; M576-W580 PolarHBondContact O-N 3.11Å; M576-F645 HydrophobicContact CG-CD1 3.86Å; M576-F645 HydrophobicContact CG-CE1 3.76Å; M576-F645 HydrophobicContact CG-CG 4.45Å; M576-F645 HydrophobicContact CG-CZ 4.28Å; M576-F645 HydrophobicContact SD-CD1 4.43Å
577	M	97.9	Very high	96.5	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-53.9	-40.6	175.1	-72.2	-167.8	-72.7	0	0	111.7	L213 R216 Q217 V549 G551 F554 S573 D574 A581	L213-M577 HydrophobicContact CB-SD 4.25Å; L213-M577 HydrophobicContact CD1-CB 3.88Å; L213-M577 HydrophobicContact CD1-CG 3.81Å; L213-M577 HydrophobicContact CD1-SD 4.16Å; R216-M577 HydrophobicContact CB-CE 4.3Å; R216-M577 HydrophobicContact CB-SD 4.41Å; R216-M577 HydrophobicContact CG-CE 3.96Å; Q217-M577 HydrophobicContact CG-CB 3.89Å; V549-M577 WeakPolarHBondContact O-CG 3.41Å; G551-M577 VanDerWaalsContact CA-SD 3.51Å; F554-M577 HydrophobicContact CD2-CE 4.01Å; F554-M577 HydrophobicContact CE2-CE 3.62Å; S573-M577 WeakPolarHBondContact O-CB 3.3Å; S573-M577 VanDerWaalsContact O-CG 3.31Å; S573-M577 WeakPolarHBondContact O-CG 3.29Å; S573-M577 PolarHBondContact O-N 3.39Å; D574-M577 WeakPolarHBondContact OD1-CE 3.43Å; M577-A581 VanDerWaalsContact O-CB 3.23Å; M577-A581 WeakPolarHBondContact O-CB 3.36Å; M577-A581 PolarHBondContact O-N 3.17Å
578	T	97.1	Very high	96.7	Very high	19 Å²	19	19.8 Å²	19.8	12%	0.117	10%	0.1	C	C	.	.	H	α-helix	trans	-64.3	-49.8	179.5	-58.8	0	0	0	0	111.8	Q217 D574 I575 M576 W580 A581 N582 L592 F629	Q217-T578 PolarHBondContact NE2-OG1 3.39Å; Q217-T578 VanDerWaalsContact NE2-OG1 3.08Å; D574-T578 WeakPolarHBondContact O-CB 3.11Å; D574-T578 PolarHBondContact O-N 3.25Å; D574-T578 PolarHBondContact O-OG1 3.39Å; I575-T578 PolarHBondContact O-N 3.17Å; M576-T578 PolarHBondContact O-N 3.19Å; T578-W580 PolarHBondContact O-N 2.86Å; T578-A581 PolarHBondContact O-N 2.93Å; T578-N582 VanDerWaalsContact O-CB 3.29Å; T578-N582 WeakPolarHBondContact O-CB 3.13Å; T578-N582 PolarHBondContact O-N 3.3Å; T578-N582 PolarHBondContact O-ND2 3.31Å; T578-N582 PolarHBondContact O-OD1 2.91Å; T578-L592 HydrophobicContact CG2-CD2 4.21Å; T578-F629 HydrophobicContact CG2-CE1 3.68Å; T578-F629 HydrophobicContact CG2-CZ 3.72Å
579	Y	98.3	Very high	97	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-62.1	-41.3	177.9	-74.6	-60.9	0	0	0	112.9	I575 M576 N582 F583 P589 V598 F629 I630 W632 I643 F645 L652	I575-Y579 HydrophobicContact CG2-CD2 3.85Å; I575-Y579 HydrophobicContact CG2-CE2 3.48Å; I575-Y579 VanDerWaalsContact CG2-CE2 3.48Å; I575-Y579 VanDerWaalsContact O-CD2 3.25Å; I575-Y579 WeakPolarHBondContact O-CD2 3.39Å; I575-Y579 PolarHBondContact O-N 2.69Å; I575-Y579 VanDerWaalsContact O-N 3.11Å; M576-Y579 PolarHBondContact O-N 3.26Å; Y579-N582 PolarHBondContact O-N 3.27Å; Y579-F583 WeakPolarHBondContact O-CB 3.5Å; Y579-F583 PolarHBondContact O-N 3.5Å; Y579-P589 HydrophobicContact CD1-CB 3.88Å; Y579-P589 WeakPolarHBondContact CD1-O 3.25Å; Y579-P589 HydrophobicContact CG-CB 4.46Å; Y579-V598 HydrophobicContact CE1-CG2 4.16Å; Y579-F629 HydrophobicContact CE1-CD1 4.17Å; Y579-F629 AromaticContact CE2-CD1 3.91Å; Y579-F629 HydrophobicContact CE2-CD1 3.91Å; Y579-F629 HydrophobicContact CE2-CE1 4.33Å; Y579-F629 AromaticContact CZ-CD1 3.69Å; Y579-I630 PolarHBondContact OH-N 3.29Å; Y579-I630 VanDerWaalsContact OH-N 3.14Å; Y579-I630 PolarHBondContact OH-O 3.21Å; Y579-W632 AromaticContact CD1-CE3 3.68Å; Y579-W632 HydrophobicContact CD1-CE3 3.68Å; Y579-W632 HydrophobicContact CD1-CZ3 4.26Å; Y579-W632 HydrophobicContact CD2-CE3 4.1Å; Y579-W632 HydrophobicContact CD2-CZ3 4.12Å; Y579-W632 HydrophobicContact CE1-CB 4.37Å; Y579-W632 HydrophobicContact CE1-CE3 4.1Å; Y579-W632 HydrophobicContact CE2-CE3 4.48Å; Y579-W632 AromaticContact CG-CE3 3.67Å; Y579-W632 HydrophobicContact CG-CE3 3.67Å; Y579-W632 AromaticContact CG-CZ3 3.79Å; Y579-W632 HydrophobicContact CG-CZ3 3.79Å; Y579-I643 HydrophobicContact CE2-CD1 4.29Å; Y579-F645 AromaticContact CD2-CE1 3.95Å; Y579-F645 HydrophobicContact CD2-CE1 3.95Å; Y579-F645 AromaticContact CD2-CZ 3.84Å; Y579-F645 HydrophobicContact CD2-CZ 3.84Å; Y579-F645 HydrophobicContact CE2-CE1 4.04Å; Y579-F645 HydrophobicContact CE2-CZ 4.16Å; Y579-L652 HydrophobicContact CE2-CD2 3.61Å
580	W	98.7	Very high	97.1	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-65.4	-44.9	179.1	-91.9	-118.9	0	0	0	111	M190 I300 M399 Y523 V549 M576 T578 F583 A584 W632 F645	M190-W580 HydrophobicContact CE-CB 4.08Å; M190-W580 HydrophobicContact CE-CG 4.42Å; I300-W580 HydrophobicContact CD1-CG 4.16Å; M399-W580 HydrophobicContact SD-CD2 4.36Å; M399-W580 HydrophobicContact SD-CZ2 4.41Å; Y523-W580 AromaticContact CD1-CH2 3.76Å; Y523-W580 HydrophobicContact CD1-CH2 3.76Å; Y523-W580 HydrophobicContact CD1-CZ2 4.03Å; Y523-W580 HydrophobicContact CD2-CH2 4.33Å; Y523-W580 AromaticContact CE1-CH2 3.54Å; Y523-W580 HydrophobicContact CE1-CH2 3.54Å; Y523-W580 AromaticContact CE1-CZ2 3.34Å; Y523-W580 HydrophobicContact CE1-CZ2 3.34Å; Y523-W580 HydrophobicContact CE2-CH2 4.17Å; Y523-W580 HydrophobicContact CE2-CZ2 4.35Å; Y523-W580 HydrophobicContact CG-CH2 4.16Å; Y523-W580 AromaticContact CZ-CH2 3.77Å; Y523-W580 AromaticContact CZ-CZ2 3.55Å; V549-W580 VanDerWaalsContact CG1-CD1 3.47Å; V549-W580 HydrophobicContact CG1-CD2 4.48Å; V549-W580 HydrophobicContact CG1-CG 4.01Å; V549-W580 HydrophobicContact CG2-CD2 4.24Å; V549-W580 HydrophobicContact CG2-CH2 4.49Å; V549-W580 HydrophobicContact CG2-CZ2 3.77Å; M576-W580 HydrophobicContact CB-CE3 4.4Å; M576-W580 HydrophobicContact CB-CZ3 4.22Å; M576-W580 HydrophobicContact CE-CH2 3.73Å; M576-W580 HydrophobicContact CE-CZ2 4.23Å; M576-W580 HydrophobicContact CE-CZ3 4.16Å; M576-W580 HydrophobicContact CG-CZ3 4.34Å; M576-W580 PolarHBondContact O-N 3.11Å; T578-W580 PolarHBondContact O-N 2.86Å; W580-F583 PolarHBondContact O-N 2.69Å; W580-A584 WeakPolarHBondContact O-CB 3.48Å; W580-A584 PolarHBondContact O-N 3.48Å; W580-W632 HydrophobicContact CE3-CZ3 4.48Å; W580-W632 HydrophobicContact CH2-CH2 4.3Å; W580-W632 AromaticContact CZ3-CH2 4Å; W580-W632 HydrophobicContact CZ3-CH2 4Å; W580-W632 AromaticContact CZ3-CZ3 4Å; W580-W632 HydrophobicContact CZ3-CZ3 4Å; W580-F645 HydrophobicContact CH2-CE2 4.21Å; W580-F645 HydrophobicContact CZ3-CE2 4.08Å; W580-F645 AromaticContact CZ3-CZ 3.96Å; W580-F645 HydrophobicContact CZ3-CZ 3.96Å
581	A	98.6	Very high	97.3	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-68.9	-37.4	178.7	0	0	0	0	0	112.2	Q217 I219 M577 T578 A584 R585	Q217-A581 HydrophobicContact CB-CB 3.56Å; Q217-A581 HydrophobicContact CG-CB 3.71Å; I219-A581 HydrophobicContact CD1-CB 3.94Å; I219-A581 HydrophobicContact CG2-CB 4.24Å; M577-A581 VanDerWaalsContact O-CB 3.23Å; M577-A581 WeakPolarHBondContact O-CB 3.36Å; M577-A581 PolarHBondContact O-N 3.17Å; T578-A581 PolarHBondContact O-N 2.93Å; A581-A584 PolarHBondContact O-N 3.17Å; A581-R585 WeakPolarHBondContact O-CG 3.4Å; A581-R585 PolarHBondContact O-N 2.88Å; A581-R585 PolarHBondContact O-NH1 3.44Å; A581-R585 VanDerWaalsContact O-NH1 3.12Å
582	N	98.5	Very high	97.3	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-59.3	-50.8	173.7	-72.9	-4.8	0	0	0	110.5	T578 Y579 A584 R585 T586 D588 P589 I591 V598	T578-N582 VanDerWaalsContact O-CB 3.29Å; T578-N582 WeakPolarHBondContact O-CB 3.13Å; T578-N582 PolarHBondContact O-N 3.3Å; T578-N582 PolarHBondContact O-ND2 3.31Å; T578-N582 PolarHBondContact O-OD1 2.91Å; Y579-N582 PolarHBondContact O-N 3.27Å; N582-A584 VanDerWaalsContact C-N 3.27Å; N582-A584 PolarHBondContact O-N 3.23Å; N582-R585 VanDerWaalsContact N-NH1 3.16Å; N582-R585 PolarHBondContact O-N 3.16Å; N582-R585 PolarHBondContact OD1-NH1 3.02Å; N582-T586 PolarHBondContact O-N 3.4Å; N582-T586 PolarHBondContact O-OG1 3.36Å; N582-D588 CarbonylContact C-O 3.6Å; N582-P589 WeakPolarHBondContact CB-O 3.38Å; N582-P589 PolarHBondContact ND2-O 3.02Å; N582-I591 VanDerWaalsContact CB-O 3.27Å; N582-I591 WeakPolarHBondContact CB-O 3.4Å; N582-I591 PolarHBondContact OD1-O 3.2Å; N582-V598 WeakPolarHBondContact ND2-CG1 3.49Å
583	F	98.7	Very high	96.9	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-58.2	-39.2	174.6	-179.4	-95.2	0	0	0	112.3	T272 N298 I300 A397 M399 Y521 Y579 W580 R585 G587 P589	T272-F583 HydrophobicContact CG2-CD1 4.11Å; T272-F583 HydrophobicContact CG2-CE1 4.03Å; N298-F583 HydrophobicContact CB-CD1 4.33Å; N298-F583 HydrophobicContact CB-CE1 3.61Å; N298-F583 HydrophobicContact CB-CZ 3.91Å; N298-F583 PolarHBondContact ND2-O 3.01Å; N298-F583 VanDerWaalsContact ND2-O 3.1Å; I300-F583 HydrophobicContact CD1-CD1 3.76Å; I300-F583 HydrophobicContact CD1-CE1 4.13Å; I300-F583 HydrophobicContact CG1-CD1 3.68Å; I300-F583 HydrophobicContact CG1-CE1 3.5Å; I300-F583 VanDerWaalsContact CG1-CE1 3.5Å; A397-F583 HydrophobicContact CB-CE2 3.58Å; A397-F583 HydrophobicContact CB-CZ 3.9Å; A397-F583 WeakPolarHBondContact O-CZ 3.46Å; M399-F583 HydrophobicContact CB-CE1 4.13Å; M399-F583 HydrophobicContact CB-CE2 4.09Å; M399-F583 HydrophobicContact CB-CZ 3.87Å; M399-F583 HydrophobicContact CE-CB 3.68Å; M399-F583 HydrophobicContact CE-CD1 4.2Å; M399-F583 HydrophobicContact CE-CD2 3.85Å; M399-F583 HydrophobicContact CE-CG 3.64Å; Y521-F583 HydrophobicContact CD2-CD2 4.26Å; Y521-F583 HydrophobicContact CD2-CE2 4.05Å; Y579-F583 WeakPolarHBondContact O-CB 3.5Å; Y579-F583 PolarHBondContact O-N 3.5Å; W580-F583 PolarHBondContact O-N 2.69Å; F583-R585 VanDerWaalsContact C-N 3.31Å; F583-R585 PolarHBondContact O-N 3Å; F583-G587 WeakPolarHBondContact CD2-O 3.2Å; F583-G587 WeakPolarHBondContact CE2-O 3.34Å; F583-G587 VanDerWaalsContact O-CA 3.3Å; F583-G587 WeakPolarHBondContact O-CA 3.47Å; F583-G587 PolarHBondContact O-N 2.8Å; F583-P589 HydrophobicContact CB-CB 4.32Å
584	A	98.6	Very high	96.5	Very high	1 Å²	1	21.6 Å²	21.6	1%	0.008	12%	0.123	C	C	.	.	H	α-helix	trans	-64.4	-35.2	176.8	0	0	0	0	0	113.1	M190 T272 W580 A581 N582	M190-A584 HydrophobicContact CG-CB 3.47Å; M190-A584 VanDerWaalsContact CG-CB 3.47Å; M190-A584 HydrophobicContact SD-CB 3.84Å; T272-A584 HydrophobicContact CG2-CB 4.46Å; T272-A584 VanDerWaalsContact OG1-CA 3.3Å; T272-A584 WeakPolarHBondContact OG1-CA 3.45Å; T272-A584 PolarHBondContact OG1-O 3.03Å; W580-A584 WeakPolarHBondContact O-CB 3.48Å; W580-A584 PolarHBondContact O-N 3.48Å; A581-A584 PolarHBondContact O-N 3.17Å; N582-A584 VanDerWaalsContact C-N 3.27Å; N582-A584 PolarHBondContact O-N 3.23Å
585	R	97.1	Very high	96.4	Very high	27 Å²	27	22.6 Å²	22.6	10%	0.102	14%	0.14	C	C	.	.	H	α-helix	trans	-77.1	-38.3	179.1	-70.2	-179.8	-149.2	98.7	-6.1	113.3	A188 Q217 I219 R270 A581 N582 F583	A188-R585 HydrophobicContact CB-CB 4.32Å; A188-R585 HydrophobicContact CB-CG 3.62Å; Q217-R585 PolarHBondContact O-NH2 2.83Å; I219-R585 HydrophobicContact CG2-CG 4.45Å; R270-R585 WeakPolarHBondContact CD-O 3.43Å; A581-R585 WeakPolarHBondContact O-CG 3.4Å; A581-R585 PolarHBondContact O-N 2.88Å; A581-R585 PolarHBondContact O-NH1 3.44Å; A581-R585 VanDerWaalsContact O-NH1 3.12Å; N582-R585 VanDerWaalsContact N-NH1 3.16Å; N582-R585 PolarHBondContact O-N 3.16Å; N582-R585 PolarHBondContact OD1-NH1 3.02Å; F583-R585 VanDerWaalsContact C-N 3.31Å; F583-R585 PolarHBondContact O-N 3Å
586	T	97.1	Very high	96.3	Very high	63 Å²	63	26.7 Å²	26.7	39%	0.387	16%	0.155	S	C	.	.	H	α-helix	trans	-127.4	-19.5	-163.5	68.1	0	0	0	0	114.3	N582 D588 I591	N582-T586 PolarHBondContact O-N 3.4Å; N582-T586 PolarHBondContact O-OG1 3.36Å; T586-D588 PolarHBondContact OG1-N 3.46Å; T586-D588 PolarHBondContact OG1-O 3.26Å; T586-I591 HydrophobicContact CG2-CB 4.05Å; T586-I591 HydrophobicContact CG2-CG2 3.94Å
587	G	97.6	Very high	96.2	Very high	7 Å²	7	29.3 Å²	29.3	7%	0.072	17%	0.168	C	C	.	.	S	Bend	trans	80.2	-0.1	-166.6	0	0	0	0	0	114.3	N298 A397 Y521 F583	N298-G587 WeakPolarHBondContact ND2-CA 3.32Å; N298-G587 PolarHBondContact ND2-N 2.78Å; A397-G587 WeakPolarHBondContact CB-O 3.02Å; Y521-G587 WeakPolarHBondContact CE2-O 3.38Å; F583-G587 WeakPolarHBondContact CD2-O 3.2Å; F583-G587 WeakPolarHBondContact CE2-O 3.34Å; F583-G587 VanDerWaalsContact O-CA 3.3Å; F583-G587 WeakPolarHBondContact O-CA 3.47Å; F583-G587 PolarHBondContact O-N 2.8Å
588	D	98.1	Very high	95.9	Very high	43 Å²	43	29.4 Å²	29.4	23%	0.23	17%	0.168	C	C	.	.			trans	-125.1	117.3	175.1	-171.8	-27.6	0	0	0	109.3	Y521 N582 T586 N590 I591	Y521-D588 PolarHBondContact OH-OD1 3.29Å; Y521-D588 PolarHBondContact OH-OD2 3.09Å; Y521-D588 VanDerWaalsContact OH-OD2 3.12Å; N582-D588 CarbonylContact C-O 3.6Å; T586-D588 PolarHBondContact OG1-N 3.46Å; T586-D588 PolarHBondContact OG1-O 3.26Å; D588-N590 PolarHBondContact O-N 2.99Å; D588-N590 VanDerWaalsContact O-N 3.08Å; D588-N590 VanDerWaalsContact OD1-CB 3.27Å; D588-N590 WeakPolarHBondContact OD1-CB 3.41Å; D588-N590 PolarHBondContact OD1-N 3.47Å; D588-N590 PolarHBondContact OD1-ND2 2.89Å; D588-I591 HydrophobicContact CB-CG1 3.83Å; D588-I591 PolarHBondContact O-N 3.15Å
589	P	98.3	Very high	95.5	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-17.7	-178.9	30.1	-36.1	0	0	0	112.7	M399 Y521 Y579 N582 F583 W632	M399-P589 HydrophobicContact CE-CB 4.07Å; M399-P589 HydrophobicContact CE-CG 4.48Å; Y521-P589 HydrophobicContact CD1-CG 3.55Å; Y521-P589 HydrophobicContact CD2-CG 4.28Å; Y521-P589 VanDerWaalsContact CE1-CD 3.46Å; Y521-P589 HydrophobicContact CE1-CG 3.74Å; Y521-P589 HydrophobicContact CE2-CG 4.46Å; Y521-P589 HydrophobicContact CG-CG 3.83Å; Y579-P589 HydrophobicContact CD1-CB 3.88Å; Y579-P589 WeakPolarHBondContact CD1-O 3.25Å; Y579-P589 HydrophobicContact CG-CB 4.46Å; N582-P589 WeakPolarHBondContact CB-O 3.38Å; N582-P589 PolarHBondContact ND2-O 3.02Å; F583-P589 HydrophobicContact CB-CB 4.32Å; P589-W632 HydrophobicContact CB-CD2 4.21Å; P589-W632 HydrophobicContact CB-CE3 3.81Å; P589-W632 HydrophobicContact CB-CZ3 4.32Å; P589-W632 HydrophobicContact CG-CB 3.93Å; P589-W632 HydrophobicContact CG-CD2 3.82Å; P589-W632 HydrophobicContact CG-CE3 3.96Å; P589-W632 HydrophobicContact CG-CG 3.85Å
590	N	97.9	Very high	94.9	Very high	7 Å²	7	34.7 Å²	34.7	4%	0.037	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-9.3	-177.3	-56.6	-69.5	0	0	0	114.8	D588 H597 V598 W632	D588-N590 PolarHBondContact O-N 2.99Å; D588-N590 VanDerWaalsContact O-N 3.08Å; D588-N590 VanDerWaalsContact OD1-CB 3.27Å; D588-N590 WeakPolarHBondContact OD1-CB 3.41Å; D588-N590 PolarHBondContact OD1-N 3.47Å; D588-N590 PolarHBondContact OD1-ND2 2.89Å; N590-H597 VanDerWaalsContact CB-NE2 3.3Å; N590-H597 WeakPolarHBondContact CB-NE2 3.42Å; N590-H597 CarbonylContact O-C 3.47Å; N590-H597 VanDerWaalsContact O-CA 3.31Å; N590-H597 WeakPolarHBondContact O-CA 3.4Å; N590-V598 HydrophobicContact CB-CG2 4.08Å; N590-V598 WeakPolarHBondContact O-CG1 3.4Å; N590-V598 PolarHBondContact O-N 2.82Å; N590-W632 PolarHBondContact ND2-O 2.81Å; N590-W632 WeakPolarHBondContact OD1-CB 3.23Å; N590-W632 PolarHBondContact OD1-N 3.33Å
591	I	97.6	Very high	93	Very high	45 Å²	45	41.1 Å²	41.1	23%	0.231	23%	0.232	C	C	.	.	B	Isolated β-bridge	trans	-99.5	115	-174	-54.4	-59.2	0	0	0	110.2	N582 T586 D588	N582-I591 VanDerWaalsContact CB-O 3.27Å; N582-I591 WeakPolarHBondContact CB-O 3.4Å; N582-I591 PolarHBondContact OD1-O 3.2Å; T586-I591 HydrophobicContact CG2-CB 4.05Å; T586-I591 HydrophobicContact CG2-CG2 3.94Å; D588-I591 HydrophobicContact CB-CG1 3.83Å; D588-I591 PolarHBondContact O-N 3.15Å
592	L	93.4	Very high	90.9	Very high	21 Å²	21	45.3 Å²	45.3	11%	0.11	25%	0.254	C	S	.	.			trans	-70.1	163.7	176.4	-69.2	171.5	0	0	0	111.6	T578 D594 G595 R596 V598 L602	T578-L592 HydrophobicContact CG2-CD2 4.21Å; L592-D594 WeakPolarHBondContact CB-OD1 3.15Å; L592-D594 PolarHBondContact O-N 2.8Å; L592-D594 VanDerWaalsContact O-N 3.12Å; L592-G595 PolarHBondContact O-N 2.92Å; L592-R596 WeakPolarHBondContact CB-O 3.48Å; L592-R596 HydrophobicContact CD1-CB 4.28Å; L592-R596 PolarHBondContact N-O 2.88Å; L592-V598 HydrophobicContact CD2-CG1 3.95Å; L592-V598 HydrophobicContact CG-CG1 4.05Å; L592-L602 HydrophobicContact CD1-CD2 3.94Å
593	P	87.6	Confident	88.2	Confident	92 Å²	92	49.8 Å²	49.8	60%	0.597	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-28.7	179.9	-27.1	35.2	0	0	0	115.1	G595	P593-G595 VanDerWaalsContact C-N 3.31Å
594	D	88.9	Confident	85.3	Confident	93 Å²	93	55 Å²	55	50%	0.497	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	3.7	178.3	61.4	10.9	0	0	0	113.6	L592 R596	L592-D594 WeakPolarHBondContact CB-OD1 3.15Å; L592-D594 PolarHBondContact O-N 2.8Å; L592-D594 VanDerWaalsContact O-N 3.12Å; D594-R596 VanDerWaalsContact C-N 3.35Å; D594-R596 WeakPolarHBondContact OD1-CB 3.42Å; D594-R596 PolarHBondContact OD1-N 2.94Å; D594-R596 IonicContact OD1-NE 3.39Å; D594-R596 PolarHBondContact OD1-NE 3.38Å; D594-R596 IonicContact OD2-CZ 3.47Å; D594-R596 IonicContact OD2-NE 3.16Å; D594-R596 PolarHBondContact OD2-NE 2.04Å; D594-R596 IonicContact OD2-NH2 3.78Å; D594-R596 PolarHBondContact OD2-NH2 3.41Å
595	G	91.1	Very high	82.5	Confident	52 Å²	52	61.8 Å²	61.8	54%	0.536	35%	0.348	S	S	.	.	S	Bend	trans	86.4	-4.4	179.7	0	0	0	0	0	115	L592 P593	L592-G595 PolarHBondContact O-N 2.92Å; P593-G595 VanDerWaalsContact C-N 3.31Å
596	R	93.7	Very high	79.6	Confident	90 Å²	90	66 Å²	66	34%	0.34	37%	0.372	S	S	.	.			trans	-72.3	156.7	175.4	-67	-174.5	-66.9	161.5	-2.8	111.8	L592 D594 D600 L602	L592-R596 WeakPolarHBondContact CB-O 3.48Å; L592-R596 HydrophobicContact CD1-CB 4.28Å; L592-R596 PolarHBondContact N-O 2.88Å; D594-R596 VanDerWaalsContact C-N 3.35Å; D594-R596 WeakPolarHBondContact OD1-CB 3.42Å; D594-R596 PolarHBondContact OD1-N 2.94Å; D594-R596 IonicContact OD1-NE 3.39Å; D594-R596 PolarHBondContact OD1-NE 3.38Å; D594-R596 IonicContact OD2-CZ 3.47Å; D594-R596 IonicContact OD2-NE 3.16Å; D594-R596 PolarHBondContact OD2-NE 2.04Å; D594-R596 IonicContact OD2-NH2 3.78Å; D594-R596 PolarHBondContact OD2-NH2 3.41Å; R596-D600 HydrophobicContact CB-CB 4.45Å; R596-L602 VanDerWaalsContact CZ-CD2 3.48Å
597	H	94.8	Very high	76.5	Confident	56 Å²	56	68 Å²	68	26%	0.259	39%	0.387	S	S	.	.	B	Isolated β-bridge	trans	-78.5	144.3	171.6	-164.1	-91.2	0	0	0	109.8	N590 T599 D600	N590-H597 VanDerWaalsContact CB-NE2 3.3Å; N590-H597 WeakPolarHBondContact CB-NE2 3.42Å; N590-H597 CarbonylContact O-C 3.47Å; N590-H597 VanDerWaalsContact O-CA 3.31Å; N590-H597 WeakPolarHBondContact O-CA 3.4Å; H597-T599 PolarHBondContact CE1-OG1 3.25Å; H597-T599 PolarHBondContact ND1-N 2.84Å; H597-T599 PolarHBondContact ND1-OG1 3.01Å; H597-T599 PolarHBondContact O-N 3.49Å; H597-D600 WeakPolarHBondContact CB-OD2 3.23Å; H597-D600 PolarHBondContact N-OD2 3.37Å; H597-D600 WeakPolarHBondContact O-CB 3.35Å; H597-D600 PolarHBondContact O-N 3.48Å
598	V	92.5	Very high	73.6	Confident	1 Å²	1	74.3 Å²	74.3	1%	0.006	42%	0.419	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-21.2	179.2	-71.2	0	0	0	0	113.9	Y579 N582 N590 L592 N627 F629	Y579-V598 HydrophobicContact CE1-CG2 4.16Å; N582-V598 WeakPolarHBondContact ND2-CG1 3.49Å; N590-V598 HydrophobicContact CB-CG2 4.08Å; N590-V598 WeakPolarHBondContact O-CG1 3.4Å; N590-V598 PolarHBondContact O-N 2.82Å; L592-V598 HydrophobicContact CD2-CG1 3.95Å; L592-V598 HydrophobicContact CG-CG1 4.05Å; V598-N627 PolarHBondContact O-ND2 3.25Å; V598-F629 HydrophobicContact CB-CB 3.84Å; V598-F629 HydrophobicContact CB-CD1 4.23Å; V598-F629 HydrophobicContact CB-CG 4.05Å; V598-F629 HydrophobicContact CG1-CD1 4.34Å; V598-F629 HydrophobicContact CG2-CB 4.1Å
599	T	89.3	Confident	70.4	Confident	56 Å²	56	80.2 Å²	80.2	34%	0.344	45%	0.445	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-11.1	176.5	62.2	0	0	0	0	113.8	H597 N601 N627	H597-T599 PolarHBondContact CE1-OG1 3.25Å; H597-T599 PolarHBondContact ND1-N 2.84Å; H597-T599 PolarHBondContact ND1-OG1 3.01Å; H597-T599 PolarHBondContact O-N 3.49Å; T599-N601 PolarHBondContact O-N 3.48Å; T599-N627 WeakPolarHBondContact CA-ND2 3.41Å
600	D	85.2	Confident	67.5	Low	75 Å²	75	85.1 Å²	85.1	40%	0.401	47%	0.47	S	S	.	.	S	Bend	trans	-66.3	126.1	177.1	-63.2	-20	0	0	0	107.8	R596 H597 L602	R596-D600 HydrophobicContact CB-CB 4.45Å; H597-D600 WeakPolarHBondContact CB-OD2 3.23Å; H597-D600 PolarHBondContact N-OD2 3.37Å; H597-D600 WeakPolarHBondContact O-CB 3.35Å; H597-D600 PolarHBondContact O-N 3.48Å; D600-L602 PolarHBondContact O-N 2.68Å
601	N	59.6	Low	64.6	Low	134 Å²	134	88.5 Å²	88.5	72%	0.717	49%	0.491	S	S	*	.			trans	-49.4	112	-176.1	-74.1	-15.3	0	0	0	110.2	T599 N603	T599-N601 PolarHBondContact O-N 3.48Å; N601-N603 PolarHBondContact O-N 3.14Å
602	L	53.1	Low	61.9	Low	88 Å²	88	94.7 Å²	94.7	46%	0.461	52%	0.519	S	S	.	.	S	Bend	trans	-76.4	51.8	175.8	-69.6	173.7	0	0	0	110.6	L592 R596 D600	L592-L602 HydrophobicContact CD1-CD2 3.94Å; R596-L602 VanDerWaalsContact CZ-CD2 3.48Å; D600-L602 PolarHBondContact O-N 2.68Å
603	N	41.3	Very low	59.4	Low	94 Å²	94	100.5 Å²	100.5	50%	0.503	55%	0.55	S	S	.	*			trans	-173.9	120.9	147.7	-133.2	-1.7	0	0	0	112	N601 D605	N601-N603 PolarHBondContact O-N 3.14Å; N603-D605 VanDerWaalsContact C-N 3.32Å
604	P	39.2	Very low	57.2	Low	111 Å²	111	101.8 Å²	101.8	72%	0.721	55%	0.549	S	S	*	.	S	Bend	trans	-74.5	-20	162.4	-15.3	30.4	0	0	0	113.5	D606	P604-D606 VanDerWaalsContact C-N 3.29Å; P604-D606 PolarHBondContact O-N 3.09Å
605	D	38.5	Very low	54.9	Low	143 Å²	143	102.9 Å²	102.9	77%	0.765	55%	0.553	S	S	*	*	S	Bend	trans	-88.2	13.6	-174.5	-70	-32.2	0	0	0	114.3	N603	N603-D605 VanDerWaalsContact C-N 3.32Å
606	D	37	Very low	52.3	Low	114 Å²	114	109 Å²	109	61%	0.61	57%	0.565	S	S	*	*			trans	-133.8	81.2	169.8	-161.4	9.7	0	0	0	109.1	P604 D608	P604-D606 VanDerWaalsContact C-N 3.29Å; P604-D606 PolarHBondContact O-N 3.09Å; D606-D608 PolarHBondContact O-N 2.86Å
607	P	32.6	Very low	49.4	Very low	105 Å²	105	110.8 Å²	110.8	68%	0.682	58%	0.582	S	S	*	*			trans	-71.9	113.4	171.5	23.6	-17.9	0	0	0	107.8	E609	P607-E609 PolarHBondContact O-N 3.39Å
608	D	36.7	Very low	46.5	Very low	141 Å²	141	111.9 Å²	111.9	75%	0.754	60%	0.596	S	S	*	*			trans	-57.9	72.6	163.5	-77.2	-46.2	0	0	0	110.1	D606 I610	D606-D608 PolarHBondContact O-N 2.86Å; D608-I610 VanDerWaalsContact C-N 3.33Å; D608-I610 PolarHBondContact O-N 2.7Å
609	E	30.6	Very low	43.7	Very low	166 Å²	166	120 Å²	120	78%	0.776	64%	0.638	S	S	*	*			trans	-91.2	79.9	161.7	-153.5	172.1	-145.8	0	0	106.9	P607 T611	P607-E609 PolarHBondContact O-N 3.39Å; E609-T611 PolarHBondContact O-N 3.25Å
610	I	36.1	Very low	40.9	Very low	104 Å²	104	121.5 Å²	121.5	53%	0.533	65%	0.651	S	S	.	*			trans	-62.4	102.7	172.5	-62	161.6	0	0	0	107	D608 Q614 L615	D608-I610 VanDerWaalsContact C-N 3.33Å; D608-I610 PolarHBondContact O-N 2.7Å; I610-Q614 HydrophobicContact CG2-CB 4.46Å; I610-L615 HydrophobicContact CG2-CD1 4.14Å
611	T	37.8	Very low	38.3	Very low	77 Å²	77	125.4 Å²	125.4	47%	0.472	67%	0.667	S	S	.	*			trans	-69.9	144.9	168.4	49.6	0	0	0	0	109.5	E609 D613 Q614	E609-T611 PolarHBondContact O-N 3.25Å; T611-D613 PolarHBondContact O-N 3.47Å; T611-Q614 PolarHBondContact O-N 3.47Å
612	E	41	Very low	37.1	Very low	176 Å²	176	128.8 Å²	128.8	82%	0.822	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-52.4	-26	-175.5	-84.4	-174	144.5	0	0	113.7	L615	E612-L615 PolarHBondContact O-N 2.95Å
613	D	40.9	Very low	35.9	Very low	143 Å²	143	133.6 Å²	133.6	77%	0.765	70%	0.695	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.7	-29.5	178.1	-71.9	-29.8	0	0	0	113.3	T611 L615	T611-D613 PolarHBondContact O-N 3.47Å; D613-L615 VanDerWaalsContact C-N 3.31Å; D613-L615 PolarHBondContact O-N 3.34Å
614	Q	41.1	Very low	35.7	Very low	119 Å²	119	132.2 Å²	132.2	56%	0.556	70%	0.703	S	S	*	*	H	α-helix	trans	-79.5	-11.4	178.6	-70.1	-172.9	-15.4	0	0	113.8	I610 T611 K616 S618	I610-Q614 HydrophobicContact CG2-CB 4.46Å; T611-Q614 PolarHBondContact O-N 3.47Å; Q614-K616 VanDerWaalsContact C-N 3.27Å; Q614-K616 PolarHBondContact O-N 3.27Å; Q614-S618 PolarHBondContact O-N 2.81Å; Q614-S618 PolarHBondContact O-OG 3.44Å
615	L	40.8	Very low	36.1	Very low	115 Å²	115	133 Å²	133	60%	0.602	71%	0.711	S	S	*	*	H	α-helix	trans	-74.2	-16.5	178.3	-126.1	141	0	0	0	113	I610 E612 D613 S618	I610-L615 HydrophobicContact CG2-CD1 4.14Å; E612-L615 PolarHBondContact O-N 2.95Å; D613-L615 VanDerWaalsContact C-N 3.31Å; D613-L615 PolarHBondContact O-N 3.34Å; L615-S618 WeakPolarHBondContact CA-OG 3.3Å; L615-S618 PolarHBondContact O-OG 2.99Å
616	K	35.7	Very low	37.4	Very low	181 Å²	181	135.3 Å²	135.3	79%	0.787	71%	0.714	S	S	*	*	H	α-helix	trans	-93	-29	178.9	-75	179.6	179.3	168.8	0	114	Q614	Q614-K616 VanDerWaalsContact C-N 3.27Å; Q614-K616 PolarHBondContact O-N 3.27Å
617	D	33.4	Very low	39.3	Very low	127 Å²	127	132.1 Å²	132.1	68%	0.679	70%	0.697	S	S	*	*	H	α-helix	trans	-89.7	-9.5	178.9	-87.1	-11.9	0	0	0	114	L619 S620	D617-L619 PolarHBondContact O-N 3.2Å; D617-S620 PolarHBondContact O-N 3.21Å; D617-S620 PolarHBondContact O-OG 3.44Å
618	S	33.4	Very low	41.9	Very low	80 Å²	80	130 Å²	130	56%	0.559	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.9	-0.2	-177.8	27.6	0	0	0	0	115.2	Q614 L615	Q614-S618 PolarHBondContact O-N 2.81Å; Q614-S618 PolarHBondContact O-OG 3.44Å; L615-S618 WeakPolarHBondContact CA-OG 3.3Å; L615-S618 PolarHBondContact O-OG 2.99Å
619	L	33.7	Very low	44.4	Very low	170 Å²	170	124.6 Å²	124.6	89%	0.89	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.4	-8.6	173.2	-75.4	167.4	0	0	0	113.8	D617	D617-L619 PolarHBondContact O-N 3.2Å
620	S	32.1	Very low	47.4	Very low	88 Å²	88	119.1 Å²	119.1	62%	0.615	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-124.6	-7.7	-173.9	63.3	0	0	0	0	116.6	D617	D617-S620 PolarHBondContact O-N 3.21Å; D617-S620 PolarHBondContact O-OG 3.44Å
621	H	29.6	Very low	50.1	Low	158 Å²	158	115.6 Å²	115.6	73%	0.731	62%	0.618	S	S	*	*			trans	-123.6	109.6	177.4	-90.2	-79.1	0	0	0	114.1	Q623	H621-Q623 PolarHBondContact O-N 2.99Å
622	K	33.7	Very low	52.9	Low	205 Å²	205	112 Å²	112	89%	0.891	60%	0.596	S	S	*	*			trans	-63.3	93	160.8	-72.3	178.6	175.5	178.9	0	109.7
623	Q	29.6	Very low	55.6	Low	189 Å²	189	105.3 Å²	105.3	88%	0.883	57%	0.567	S	S	*	*			trans	-166.8	85.4	158.7	-117.6	165.3	-14.5	0	0	110	H621	H621-Q623 PolarHBondContact O-N 2.99Å
624	G	36.8	Very low	58.2	Low	65 Å²	65	100.9 Å²	100.9	67%	0.67	54%	0.542	S	S	*	.			trans	-139.3	111.1	162	0	0	0	0	0	105.9	K626	G624-K626 PolarHBondContact O-N 3.1Å
625	S	47	Very low	60.8	Low	126 Å²	126	95.2 Å²	95.2	88%	0.881	52%	0.516	S	S	*	.			trans	-65.2	75.1	179.2	171.4	0	0	0	0	109.7	N627	S625-N627 PolarHBondContact O-N 2.91Å
626	K	66	Low	63.3	Low	192 Å²	192	96.2 Å²	96.2	84%	0.835	51%	0.511	S	S	*	.			trans	-58.4	126.5	166.1	-73.1	-173.6	177.4	-177.3	0	107.1	G624 P628	G624-K626 PolarHBondContact O-N 3.1Å; K626-P628 WeakPolarHBondContact O-CD 3.4Å; K626-P628 VanDerWaalsContact O-N 3.08Å
627	N	76.8	Confident	65.8	Low	48 Å²	48	90.7 Å²	90.7	26%	0.257	49%	0.491	S	S	.	.			trans	-44.3	117.1	170.4	-178	-8.1	0	0	0	109.3	V598 T599 S625 F629	V598-N627 PolarHBondContact O-ND2 3.25Å; T599-N627 WeakPolarHBondContact CA-ND2 3.41Å; S625-N627 PolarHBondContact O-N 2.91Å; N627-F629 PolarHBondContact O-N 2.99Å; N627-F629 WeakPolarHBondContact OD1-CB 3.18Å; N627-F629 VanDerWaalsContact OD1-CD2 3.29Å; N627-F629 WeakPolarHBondContact OD1-CD2 3.48Å; N627-F629 PolarHBondContact OD1-N 3.14Å
628	P	86.2	Confident	68.5	Low	60 Å²	60	89 Å²	89	39%	0.39	49%	0.488	S	S	.	.			trans	-78.4	-8	-175.9	33.3	-36.8	0	0	0	112.6	I575 K626	I575-P628 HydrophobicContact CD1-CB 3.73Å; I575-P628 HydrophobicContact CD1-CG 4.15Å; I575-P628 HydrophobicContact CG1-CB 4.33Å; I575-P628 HydrophobicContact CG1-CG 4.24Å; K626-P628 WeakPolarHBondContact O-CD 3.4Å; K626-P628 VanDerWaalsContact O-N 3.08Å
629	F	90.9	Very high	71.2	Confident	28 Å²	28	88 Å²	88	12%	0.123	48%	0.479	C	S	.	.			trans	-83.5	148.6	178.4	-62	-85.2	0	0	0	111.4	I575 T578 Y579 V598 N627	I575-F629 HydrophobicContact CB-CE1 4.2Å; I575-F629 HydrophobicContact CG1-CE1 4.26Å; I575-F629 HydrophobicContact CG1-CZ 4.21Å; I575-F629 HydrophobicContact CG2-CD1 4.09Å; I575-F629 HydrophobicContact CG2-CE1 3.85Å; T578-F629 HydrophobicContact CG2-CE1 3.68Å; T578-F629 HydrophobicContact CG2-CZ 3.72Å; Y579-F629 HydrophobicContact CE1-CD1 4.17Å; Y579-F629 AromaticContact CE2-CD1 3.91Å; Y579-F629 HydrophobicContact CE2-CD1 3.91Å; Y579-F629 HydrophobicContact CE2-CE1 4.33Å; Y579-F629 AromaticContact CZ-CD1 3.69Å; V598-F629 HydrophobicContact CB-CB 3.84Å; V598-F629 HydrophobicContact CB-CD1 4.23Å; V598-F629 HydrophobicContact CB-CG 4.05Å; V598-F629 HydrophobicContact CG1-CD1 4.34Å; V598-F629 HydrophobicContact CG2-CB 4.1Å; N627-F629 PolarHBondContact O-N 2.99Å; N627-F629 WeakPolarHBondContact OD1-CB 3.18Å; N627-F629 VanDerWaalsContact OD1-CD2 3.29Å; N627-F629 WeakPolarHBondContact OD1-CD2 3.48Å; N627-F629 PolarHBondContact OD1-N 3.14Å
630	I	92.7	Very high	74.1	Confident	50 Å²	50	81.4 Å²	81.4	26%	0.256	44%	0.443	S	S	.	.			trans	-127.9	158.5	170.6	64.9	173.7	0	0	0	108.2	Y579 W632 I643 L652 V654	Y579-I630 PolarHBondContact OH-N 3.29Å; Y579-I630 VanDerWaalsContact OH-N 3.14Å; Y579-I630 PolarHBondContact OH-O 3.21Å; I630-W632 PolarHBondContact O-N 3.24Å; I630-W632 VanDerWaalsContact O-N 3.13Å; I630-I643 HydrophobicContact CD1-CD1 4.01Å; I630-I643 HydrophobicContact CD1-CG1 4.06Å; I630-I643 HydrophobicContact CG1-CD1 3.74Å; I630-I643 HydrophobicContact CG1-CG1 4.36Å; I630-L652 HydrophobicContact CD1-CB 3.69Å; I630-L652 HydrophobicContact CG1-CB 3.92Å; I630-L652 HydrophobicContact CG1-CD2 4.44Å; I630-V654 HydrophobicContact CD1-CG2 4.05Å
631	G	93	Very high	77.2	Confident	30 Å²	30	77.7 Å²	77.7	31%	0.309	42%	0.418	S	S	.	.			trans	-61.8	118.9	172.3	0	0	0	0	0	110.7	P633	G631-P633 VanDerWaalsContact O-CD 3.26Å; G631-P633 WeakPolarHBondContact O-CD 3.47Å
632	W	96.9	Very high	80.5	Confident	3 Å²	3	70.9 Å²	70.9	1%	0.011	39%	0.386	C	S	.	.			trans	-79.8	107.8	171.9	-168.6	-29.2	0	0	0	108.7	M399 Y521 F522 Y523 Y579 W580 P589 N590 I630 I643 F645	M399-W632 HydrophobicContact CE-CH2 3.85Å; M399-W632 HydrophobicContact CE-CZ2 4.25Å; M399-W632 HydrophobicContact CE-CZ3 4.19Å; M399-W632 HydrophobicContact CG-CH2 4.36Å; M399-W632 HydrophobicContact CG-CZ2 4.2Å; M399-W632 HydrophobicContact SD-CH2 3.7Å; M399-W632 HydrophobicContact SD-CZ2 4.14Å; Y521-W632 AromaticContact CD1-CD1 3.67Å; Y521-W632 HydrophobicContact CD1-CG 4.09Å; F522-W632 PolarHBondContact O-NE1 3.11Å; Y523-W632 AromaticContact CD1-CH2 3.89Å; Y523-W632 HydrophobicContact CD1-CH2 3.89Å; Y523-W632 HydrophobicContact CD1-CZ2 4.05Å; Y523-W632 HydrophobicContact CG-CH2 4.18Å; Y523-W632 HydrophobicContact CG-CZ2 4.29Å; Y579-W632 AromaticContact CD1-CE3 3.68Å; Y579-W632 HydrophobicContact CD1-CE3 3.68Å; Y579-W632 HydrophobicContact CD1-CZ3 4.26Å; Y579-W632 HydrophobicContact CD2-CE3 4.1Å; Y579-W632 HydrophobicContact CD2-CZ3 4.12Å; Y579-W632 HydrophobicContact CE1-CB 4.37Å; Y579-W632 HydrophobicContact CE1-CE3 4.1Å; Y579-W632 HydrophobicContact CE2-CE3 4.48Å; Y579-W632 AromaticContact CG-CE3 3.67Å; Y579-W632 HydrophobicContact CG-CE3 3.67Å; Y579-W632 AromaticContact CG-CZ3 3.79Å; Y579-W632 HydrophobicContact CG-CZ3 3.79Å; W580-W632 HydrophobicContact CE3-CZ3 4.48Å; W580-W632 HydrophobicContact CH2-CH2 4.3Å; W580-W632 AromaticContact CZ3-CH2 4Å; W580-W632 HydrophobicContact CZ3-CH2 4Å; W580-W632 AromaticContact CZ3-CZ3 4Å; W580-W632 HydrophobicContact CZ3-CZ3 4Å; P589-W632 HydrophobicContact CB-CD2 4.21Å; P589-W632 HydrophobicContact CB-CE3 3.81Å; P589-W632 HydrophobicContact CB-CZ3 4.32Å; P589-W632 HydrophobicContact CG-CB 3.93Å; P589-W632 HydrophobicContact CG-CD2 3.82Å; P589-W632 HydrophobicContact CG-CE3 3.96Å; P589-W632 HydrophobicContact CG-CG 3.85Å; N590-W632 PolarHBondContact ND2-O 2.81Å; N590-W632 WeakPolarHBondContact OD1-CB 3.23Å; N590-W632 PolarHBondContact OD1-N 3.33Å; I630-W632 PolarHBondContact O-N 3.24Å; I630-W632 VanDerWaalsContact O-N 3.13Å; W632-I643 HydrophobicContact CB-CD1 4.29Å; W632-I643 HydrophobicContact CD2-CB 4.14Å; W632-I643 HydrophobicContact CD2-CD1 4.29Å; W632-I643 HydrophobicContact CD2-CG2 3.58Å; W632-I643 HydrophobicContact CE3-CD1 4.26Å; W632-I643 HydrophobicContact CE3-CG2 3.87Å; W632-I643 HydrophobicContact CG-CB 4.21Å; W632-I643 HydrophobicContact CG-CD1 4.3Å; W632-I643 HydrophobicContact CG-CG2 4.16Å; W632-I643 HydrophobicContact CH2-CG2 3.9Å; W632-I643 HydrophobicContact CZ2-CG2 3.6Å; W632-I643 HydrophobicContact CZ3-CG2 4Å; W632-F645 HydrophobicContact CE3-CZ 4.45Å; W632-F645 HydrophobicContact CH2-CE2 4.09Å; W632-F645 HydrophobicContact CH2-CZ 4.3Å; W632-F645 HydrophobicContact CZ3-CE2 4.07Å; W632-F645 AromaticContact CZ3-CZ 3.81Å; W632-F645 HydrophobicContact CZ3-CZ 3.81Å
633	P	96.7	Very high	83.5	Confident	34 Å²	34	61.1 Å²	61.1	22%	0.221	34%	0.344	C	S	.	.			trans	-70.9	145.7	-176.9	31.4	-36.8	0	0	0	111.5	G631 F635 A641 V654	G631-P633 VanDerWaalsContact O-CD 3.26Å; G631-P633 WeakPolarHBondContact O-CD 3.47Å; P633-F635 PolarHBondContact O-N 2.75Å; P633-A641 HydrophobicContact CB-CB 3.9Å; P633-A641 HydrophobicContact CG-CB 3.72Å; P633-V654 HydrophobicContact CG-CG1 3.8Å; P633-V654 HydrophobicContact CG-CG2 4.08Å
634	E	96.5	Very high	86.7	Confident	50 Å²	50	52.2 Å²	52.2	23%	0.234	30%	0.302	C	S	.	.	B	Isolated β-bridge	trans	-62.3	129.3	167.4	-166.7	-169.5	158.5	0	0	110	V520 Y521 R636	V520-E634 CarbonylContact O-C 3.57Å; V520-E634 WeakPolarHBondContact O-CA 3.47Å; V520-E634 VanDerWaalsContact O-CG 3.3Å; V520-E634 WeakPolarHBondContact O-CG 3.41Å; Y521-E634 HydrophobicContact CE1-CB 4.46Å; E634-R636 HydrophobicContact CG-CG 4.36Å; E634-R636 PolarHBondContact O-N 3.14Å; E634-R636 IonicContact OE1-NE 2.8Å; E634-R636 IonicContact OE2-CZ 2.84Å; E634-R636 IonicContact OE2-NE 3.39Å; E634-R636 PolarHBondContact OE2-NE 2.9Å; E634-R636 VanDerWaalsContact OE2-NE 3.15Å; E634-R636 IonicContact OE2-NH2 2.96Å; E634-R636 PolarHBondContact OE2-NH2 3.07Å
635	F	96.1	Very high	89.5	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	27%	0.27	C	S	.	.			trans	-71.8	108.9	172.9	-174	-89.6	0	0	0	109.2	A500 T504 V520 F522 P633 K640 A641 P658	A500-F635 HydrophobicContact CB-CD1 4.19Å; A500-F635 HydrophobicContact CB-CE1 3.86Å; A500-F635 HydrophobicContact CB-CZ 4.34Å; T504-F635 HydrophobicContact CG2-CD1 4.19Å; T504-F635 VanDerWaalsContact CG2-O 3.27Å; T504-F635 WeakPolarHBondContact CG2-O 3.06Å; V520-F635 HydrophobicContact CB-CB 4.37Å; V520-F635 HydrophobicContact CG1-CB 4.08Å; V520-F635 HydrophobicContact CG1-CD1 4.23Å; V520-F635 WeakPolarHBondContact O-CB 3.27Å; V520-F635 PolarHBondContact O-N 3.08Å; F522-F635 HydrophobicContact CB-CB 3.97Å; F522-F635 HydrophobicContact CB-CD2 3.41Å; F522-F635 VanDerWaalsContact CB-CD2 3.41Å; F522-F635 HydrophobicContact CB-CE2 4.09Å; F522-F635 HydrophobicContact CB-CG 3.86Å; F522-F635 HydrophobicContact CD2-CD2 4.28Å; F522-F635 HydrophobicContact CD2-CE2 4.22Å; F522-F635 AromaticContact CG-CD2 3.95Å; F522-F635 HydrophobicContact CG-CD2 3.95Å; F522-F635 HydrophobicContact CG-CE2 4.12Å; P633-F635 PolarHBondContact O-N 2.75Å; F635-K640 HydrophobicContact CD2-CB 4.39Å; F635-K640 HydrophobicContact CE1-CG 4.37Å; F635-K640 HydrophobicContact CE2-CB 3.64Å; F635-K640 HydrophobicContact CE2-CG 4.16Å; F635-K640 HydrophobicContact CZ-CB 3.81Å; F635-K640 HydrophobicContact CZ-CD 4.29Å; F635-K640 HydrophobicContact CZ-CG 3.78Å; F635-A641 WeakPolarHBondContact CD2-O 3.29Å; F635-P658 HydrophobicContact CE2-CG 4.42Å
636	R	92.4	Very high	91.5	Very high	136 Å²	136	47.6 Å²	47.6	51%	0.513	25%	0.245	S	C	.	.			trans	-114.6	147.1	177.5	-63.1	179.7	175.8	-142.1	-2.1	110	E634 S638 T639 K640	E634-R636 HydrophobicContact CG-CG 4.36Å; E634-R636 PolarHBondContact O-N 3.14Å; E634-R636 IonicContact OE1-NE 2.8Å; E634-R636 IonicContact OE2-CZ 2.84Å; E634-R636 IonicContact OE2-NE 3.39Å; E634-R636 PolarHBondContact OE2-NE 2.9Å; E634-R636 VanDerWaalsContact OE2-NE 3.15Å; E634-R636 IonicContact OE2-NH2 2.96Å; E634-R636 PolarHBondContact OE2-NH2 3.07Å; R636-S638 PolarHBondContact O-N 2.74Å; R636-S638 VanDerWaalsContact O-N 3.07Å; R636-T639 PolarHBondContact O-N 3.35Å; R636-K640 VanDerWaalsContact O-CA 3.3Å; R636-K640 WeakPolarHBondContact O-CA 3.06Å; R636-K640 PolarHBondContact O-N 2.95Å
637	N	88.2	Confident	91.8	Very high	66 Å²	66	41.6 Å²	41.6	35%	0.353	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-30.7	179.7	178.1	40.6	0	0	0	113.4	T501 N505 K640	T501-N637 VanDerWaalsContact CG2-OD1 3.27Å; T501-N637 WeakPolarHBondContact CG2-OD1 3.38Å; N505-N637 WeakPolarHBondContact OD1-CB 3.45Å; N505-N637 PolarHBondContact OD1-ND2 3.32Å; N505-N637 PolarHBondContact OD1-OD1 3.25Å; N637-K640 PolarHBondContact O-NZ 3.46Å; N637-K640 PolarHBondContact OD1-NZ 3.33Å
638	S	89.1	Confident	91	Very high	90 Å²	90	41 Å²	41	63%	0.629	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-45.4	178.6	53.3	0	0	0	0	113.8	R636	R636-S638 PolarHBondContact O-N 2.74Å; R636-S638 VanDerWaalsContact O-N 3.07Å
639	T	91.8	Very high	89.4	Confident	61 Å²	61	42.9 Å²	42.9	37%	0.374	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96	-38.6	-176.2	57.4	0	0	0	0	112.3	R636 A641	R636-T639 PolarHBondContact O-N 3.35Å; T639-A641 PolarHBondContact O-N 3.29Å; T639-A641 PolarHBondContact OG1-N 3.41Å
640	K	94.3	Very high	88	Confident	30 Å²	30	42.4 Å²	42.4	13%	0.13	24%	0.243	C	C	.	.			trans	47.5	43.5	-167.2	-60.4	-177.6	174.1	67.3	0	110.6	F635 R636 N637 Y642 T656 R657 P658	F635-K640 HydrophobicContact CD2-CB 4.39Å; F635-K640 HydrophobicContact CE1-CG 4.37Å; F635-K640 HydrophobicContact CE2-CB 3.64Å; F635-K640 HydrophobicContact CE2-CG 4.16Å; F635-K640 HydrophobicContact CZ-CB 3.81Å; F635-K640 HydrophobicContact CZ-CD 4.29Å; F635-K640 HydrophobicContact CZ-CG 3.78Å; R636-K640 VanDerWaalsContact O-CA 3.3Å; R636-K640 WeakPolarHBondContact O-CA 3.06Å; R636-K640 PolarHBondContact O-N 2.95Å; N637-K640 PolarHBondContact O-NZ 3.46Å; N637-K640 PolarHBondContact OD1-NZ 3.33Å; K640-Y642 WeakPolarHBondContact O-CD1 3.42Å; K640-T656 CarbonylContact O-C 3.54Å; K640-T656 WeakPolarHBondContact O-CA 3.09Å; K640-R657 PolarHBondContact O-N 3.49Å; K640-P658 WeakPolarHBondContact O-CD 3.04Å
641	A	97.1	Very high	87.5	Confident	10 Å²	10	44.2 Å²	44.2	8%	0.083	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	140	178.6	0	0	0	0	0	110	P633 F635 T639 V654 S655 T656	P633-A641 HydrophobicContact CB-CB 3.9Å; P633-A641 HydrophobicContact CG-CB 3.72Å; F635-A641 WeakPolarHBondContact CD2-O 3.29Å; T639-A641 PolarHBondContact O-N 3.29Å; T639-A641 PolarHBondContact OG1-N 3.41Å; A641-V654 HydrophobicContact CB-CG1 4.46Å; A641-S655 WeakPolarHBondContact CA-O 3.33Å; A641-T656 HydrophobicContact CB-CG2 4.27Å
642	Y	97.7	Very high	87.4	Confident	16 Å²	16	43.5 Å²	43.5	6%	0.063	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	156.4	-176.8	67.2	-75	0	0	0	110.4	F522 E524 K640 V644 V654 S655 P658	F522-Y642 HydrophobicContact CD1-CD2 4.28Å; F522-Y642 HydrophobicContact CD1-CG 4.2Å; F522-Y642 WeakPolarHBondContact O-CA 3.45Å; F522-Y642 VanDerWaalsContact O-CB 3.26Å; F522-Y642 WeakPolarHBondContact O-CB 3.29Å; E524-Y642 HydrophobicContact CB-CD2 4.04Å; E524-Y642 HydrophobicContact CB-CE2 3.76Å; E524-Y642 WeakPolarHBondContact OE2-CE2 3.44Å; K640-Y642 WeakPolarHBondContact O-CD1 3.42Å; Y642-V644 HydrophobicContact CD2-CG2 3.93Å; Y642-V644 HydrophobicContact CE2-CG2 3.51Å; Y642-V654 WeakPolarHBondContact O-CA 3.45Å; Y642-S655 WeakPolarHBondContact CD1-O 3.49Å; Y642-S655 VanDerWaalsContact CE1-C 3.46Å; Y642-S655 VanDerWaalsContact CE1-CB 3.5Å; Y642-S655 WeakPolarHBondContact CE1-OG 3.44Å; Y642-S655 VanDerWaalsContact CZ-CB 3.41Å; Y642-S655 PolarHBondContact N-O 3.14Å; Y642-S655 PolarHBondContact O-N 2.86Å; Y642-S655 WeakPolarHBondContact OH-CB 3.39Å; Y642-S655 PolarHBondContact OH-OG 2.88Å; Y642-P658 HydrophobicContact CD1-CB 4.24Å; Y642-P658 HydrophobicContact CD1-CG 4.03Å; Y642-P658 HydrophobicContact CE1-CB 3.68Å; Y642-P658 HydrophobicContact CE1-CG 3.92Å; Y642-P658 HydrophobicContact CE2-CB 4.32Å
643	I	97.1	Very high	87.2	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	146.6	176.1	-158.1	165.1	0	0	0	110.4	F522 Y523 E524 Y579 I630 W632 F645 L652 L653	F522-I643 PolarHBondContact O-N 2.87Å; F522-I643 VanDerWaalsContact O-N 3.1Å; Y523-I643 CarbonylContact C-O 3.58Å; Y523-I643 WeakPolarHBondContact CA-O 3.38Å; E524-I643 PolarHBondContact N-O 2.96Å; Y579-I643 HydrophobicContact CE2-CD1 4.29Å; I630-I643 HydrophobicContact CD1-CD1 4.01Å; I630-I643 HydrophobicContact CD1-CG1 4.06Å; I630-I643 HydrophobicContact CG1-CD1 3.74Å; I630-I643 HydrophobicContact CG1-CG1 4.36Å; W632-I643 HydrophobicContact CB-CD1 4.29Å; W632-I643 HydrophobicContact CD2-CB 4.14Å; W632-I643 HydrophobicContact CD2-CD1 4.29Å; W632-I643 HydrophobicContact CD2-CG2 3.58Å; W632-I643 HydrophobicContact CE3-CD1 4.26Å; W632-I643 HydrophobicContact CE3-CG2 3.87Å; W632-I643 HydrophobicContact CG-CB 4.21Å; W632-I643 HydrophobicContact CG-CD1 4.3Å; W632-I643 HydrophobicContact CG-CG2 4.16Å; W632-I643 HydrophobicContact CH2-CG2 3.9Å; W632-I643 HydrophobicContact CZ2-CG2 3.6Å; W632-I643 HydrophobicContact CZ3-CG2 4Å; I643-F645 HydrophobicContact CG2-CD2 4.2Å; I643-F645 HydrophobicContact CG2-CE2 3.55Å; I643-F645 HydrophobicContact CG2-CZ 4.04Å; I643-L652 HydrophobicContact CD1-CD2 3.82Å; I643-L653 CarbonylContact C-O 3.53Å; I643-L653 WeakPolarHBondContact CA-O 3.39Å
644	V	97.1	Very high	87.2	Confident	1 Å²	1	47.3 Å²	47.3	1%	0.006	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	118.8	176.9	-171.2	0	0	0	0	109.1	E524 Q526 Y642 R646 L652 L653	E524-V644 HydrophobicContact CB-CG1 4.49Å; E524-V644 CarbonylContact O-C 3.55Å; E524-V644 WeakPolarHBondContact O-CA 3.48Å; Q526-V644 HydrophobicContact CB-CG1 4.47Å; Q526-V644 HydrophobicContact CG-CG1 3.62Å; Y642-V644 HydrophobicContact CD2-CG2 3.93Å; Y642-V644 HydrophobicContact CE2-CG2 3.51Å; V644-R646 HydrophobicContact CG1-CG 3.75Å; V644-L652 WeakPolarHBondContact O-CA 3.42Å; V644-L653 HydrophobicContact CB-CD1 3.73Å; V644-L653 HydrophobicContact CB-CG 4.13Å; V644-L653 HydrophobicContact CG2-CD1 3.62Å; V644-L653 PolarHBondContact N-O 3.04Å; V644-L653 PolarHBondContact O-N 3.3Å
645	F	96.1	Very high	87.2	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	105	173.8	-65.4	-85.1	0	0	0	108.9	Y523 E524 F525 Q526 L572 I575 M576 Y579 W580 W632 I643 L652	Y523-F645 HydrophobicContact CD2-CD2 4.1Å; Y523-F645 HydrophobicContact CD2-CE2 4.26Å; Y523-F645 HydrophobicContact CG-CD2 4.33Å; Y523-F645 HydrophobicContact CG-CE2 4.08Å; E524-F645 PolarHBondContact O-N 2.94Å; F525-F645 HydrophobicContact CD2-CB 3.81Å; F525-F645 HydrophobicContact CE2-CB 4.49Å; Q526-F645 WeakPolarHBondContact CA-O 3.38Å; Q526-F645 PolarHBondContact N-O 2.85Å; L572-F645 HydrophobicContact CD1-CB 4.37Å; L572-F645 HydrophobicContact CD1-CD1 4Å; I575-F645 HydrophobicContact CG2-CE1 4.25Å; M576-F645 HydrophobicContact CG-CD1 3.86Å; M576-F645 HydrophobicContact CG-CE1 3.76Å; M576-F645 HydrophobicContact CG-CG 4.45Å; M576-F645 HydrophobicContact CG-CZ 4.28Å; M576-F645 HydrophobicContact SD-CD1 4.43Å; Y579-F645 AromaticContact CD2-CE1 3.95Å; Y579-F645 HydrophobicContact CD2-CE1 3.95Å; Y579-F645 AromaticContact CD2-CZ 3.84Å; Y579-F645 HydrophobicContact CD2-CZ 3.84Å; Y579-F645 HydrophobicContact CE2-CE1 4.04Å; Y579-F645 HydrophobicContact CE2-CZ 4.16Å; W580-F645 HydrophobicContact CH2-CE2 4.21Å; W580-F645 HydrophobicContact CZ3-CE2 4.08Å; W580-F645 AromaticContact CZ3-CZ 3.96Å; W580-F645 HydrophobicContact CZ3-CZ 3.96Å; W632-F645 HydrophobicContact CE3-CZ 4.45Å; W632-F645 HydrophobicContact CH2-CE2 4.09Å; W632-F645 HydrophobicContact CH2-CZ 4.3Å; W632-F645 HydrophobicContact CZ3-CE2 4.07Å; W632-F645 AromaticContact CZ3-CZ 3.81Å; W632-F645 HydrophobicContact CZ3-CZ 3.81Å; I643-F645 HydrophobicContact CG2-CD2 4.2Å; I643-F645 HydrophobicContact CG2-CE2 3.55Å; I643-F645 HydrophobicContact CG2-CZ 4.04Å; F645-L652 HydrophobicContact CD1-CD2 4.1Å; F645-L652 HydrophobicContact CD1-CG 4.18Å; F645-L652 HydrophobicContact CE1-CD2 3.76Å; F645-L652 HydrophobicContact CE1-CG 4.35Å
646	R	89.2	Confident	87.2	Confident	94 Å²	94	50.4 Å²	50.4	36%	0.355	29%	0.286	S	S	.	.			trans	-104.1	172.7	-178	-62.5	-174.3	165.7	174.4	3.4	112.9	Q526 V644 N651	Q526-R646 HydrophobicContact CB-CG 4.4Å; V644-R646 HydrophobicContact CG1-CG 3.75Å; R646-N651 HydrophobicContact CB-CB 4.34Å; R646-N651 WeakPolarHBondContact CB-O 3.32Å
647	S	72.4	Confident	87.2	Confident	66 Å²	66	51.1 Å²	51.1	46%	0.462	29%	0.289	S	S	.	.	S	Bend	trans	-53.7	145.3	172.8	-62.2	0	0	0	0	113.2	H527	H527-S647 WeakPolarHBondContact ND1-CA 3.31Å; H527-S647 PolarHBondContact ND1-OG 2.68Å
648	A	58.8	Low	87.4	Confident	35 Å²	35	48.2 Å²	48.2	29%	0.289	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	162	-162.3	0	0	0	0	0	113.5	E568	E568-A648 HydrophobicContact CB-CB 3.33Å; E568-A648 HydrophobicContact CG-CB 4.25Å
649	P	52.9	Low	87.6	Confident	100 Å²	100	46.8 Å²	46.8	65%	0.649	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	cis	-65.6	138.9	4.2	28.3	-34.1	0	0	0	110.6	N651	P649-N651 VanDerWaalsContact C-N 3.32Å; P649-N651 WeakPolarHBondContact O-CA 3.25Å; P649-N651 PolarHBondContact O-N 2.98Å
650	A	61.4	Low	87.6	Confident	19 Å²	19	48.6 Å²	48.6	16%	0.157	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-30.7	86.1	-167.5	0	0	0	0	0	114.1	I575 L652	I575-A650 HydrophobicContact CD1-CB 3.25Å; A650-L652 VanDerWaalsContact C-N 3.33Å; A650-L652 HydrophobicContact CB-CD1 3.69Å; A650-L652 VanDerWaalsContact O-CD1 3.27Å; A650-L652 WeakPolarHBondContact O-CD1 3.36Å; A650-L652 PolarHBondContact O-N 2.83Å; A650-L652 VanDerWaalsContact O-N 3.11Å
651	N	82.2	Confident	87.6	Confident	88 Å²	88	53.4 Å²	53.4	47%	0.471	28%	0.276	S	S	.	.			trans	-92.7	77.8	-175.3	-171.7	8.1	0	0	0	107.5	R646 P649	R646-N651 HydrophobicContact CB-CB 4.34Å; R646-N651 WeakPolarHBondContact CB-O 3.32Å; P649-N651 VanDerWaalsContact C-N 3.32Å; P649-N651 WeakPolarHBondContact O-CA 3.25Å; P649-N651 PolarHBondContact O-N 2.98Å
652	L	91.3	Very high	87.5	Confident	15 Å²	15	54.5 Å²	54.5	8%	0.079	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	137.2	174.7	-68.7	80.6	0	0	0	108.6	I575 Y579 I630 I643 V644 F645 A650	I575-L652 HydrophobicContact CD1-CD1 4.15Å; I575-L652 HydrophobicContact CG2-CD1 4.24Å; I575-L652 HydrophobicContact CG2-CD2 3.77Å; Y579-L652 HydrophobicContact CE2-CD2 3.61Å; I630-L652 HydrophobicContact CD1-CB 3.69Å; I630-L652 HydrophobicContact CG1-CB 3.92Å; I630-L652 HydrophobicContact CG1-CD2 4.44Å; I643-L652 HydrophobicContact CD1-CD2 3.82Å; V644-L652 WeakPolarHBondContact O-CA 3.42Å; F645-L652 HydrophobicContact CD1-CD2 4.1Å; F645-L652 HydrophobicContact CD1-CG 4.18Å; F645-L652 HydrophobicContact CE1-CD2 3.76Å; F645-L652 HydrophobicContact CE1-CG 4.35Å; A650-L652 VanDerWaalsContact C-N 3.33Å; A650-L652 HydrophobicContact CB-CD1 3.69Å; A650-L652 VanDerWaalsContact O-CD1 3.27Å; A650-L652 WeakPolarHBondContact O-CD1 3.36Å; A650-L652 PolarHBondContact O-N 2.83Å; A650-L652 VanDerWaalsContact O-N 3.11Å
653	L	93.5	Very high	87.5	Confident	45 Å²	45	54 Å²	54	24%	0.236	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	163.4	168.7	65.8	74.9	0	0	0	112.1	I643 V644	I643-L653 CarbonylContact C-O 3.53Å; I643-L653 WeakPolarHBondContact CA-O 3.39Å; V644-L653 HydrophobicContact CB-CD1 3.73Å; V644-L653 HydrophobicContact CB-CG 4.13Å; V644-L653 HydrophobicContact CG2-CD1 3.62Å; V644-L653 PolarHBondContact N-O 3.04Å; V644-L653 PolarHBondContact O-N 3.3Å
654	V	95.7	Very high	87.4	Confident	71 Å²	71	56.7 Å²	56.7	43%	0.43	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	130.6	170.2	174.9	0	0	0	0	109.3	I630 P633 A641 Y642	I630-V654 HydrophobicContact CD1-CG2 4.05Å; P633-V654 HydrophobicContact CG-CG1 3.8Å; P633-V654 HydrophobicContact CG-CG2 4.08Å; A641-V654 HydrophobicContact CB-CG1 4.46Å; Y642-V654 WeakPolarHBondContact O-CA 3.45Å
655	S	96.1	Very high	87.3	Confident	37 Å²	37	57 Å²	57	26%	0.259	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	172.3	172.1	-175.3	0	0	0	0	109.8	A641 Y642	A641-S655 WeakPolarHBondContact CA-O 3.33Å; Y642-S655 WeakPolarHBondContact CD1-O 3.49Å; Y642-S655 VanDerWaalsContact CE1-C 3.46Å; Y642-S655 VanDerWaalsContact CE1-CB 3.5Å; Y642-S655 WeakPolarHBondContact CE1-OG 3.44Å; Y642-S655 VanDerWaalsContact CZ-CB 3.41Å; Y642-S655 PolarHBondContact N-O 3.14Å; Y642-S655 PolarHBondContact O-N 2.86Å; Y642-S655 WeakPolarHBondContact OH-CB 3.39Å; Y642-S655 PolarHBondContact OH-OG 2.88Å
656	T	96.8	Very high	87.3	Confident	78 Å²	78	58.1 Å²	58.1	48%	0.479	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	155.7	-179.3	64.2	0	0	0	0	111.5	K640 A641	K640-T656 CarbonylContact O-C 3.54Å; K640-T656 WeakPolarHBondContact O-CA 3.09Å; A641-T656 HydrophobicContact CB-CG2 4.27Å
657	R	92.3	Very high	87.5	Confident	152 Å²	152	59.8 Å²	59.8	57%	0.574	30%	0.304	S	S	*	.	S	Bend	trans	51.8	57.7	172.4	-56.4	-177.6	-178.6	172.6	2.3	113.2	K640 R659 H660	K640-R657 PolarHBondContact O-N 3.49Å; R657-R659 PolarHBondContact O-N 3.48Å; R657-H660 HydrophobicContact CB-CB 4.15Å; R657-H660 PolarHBondContact O-N 3.25Å
658	P	92.3	Very high	88.4	Confident	4 Å²	4	64.2 Å²	64.2	3%	0.026	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	129.9	-178.1	26	-32.7	0	0	0	110.2	I497 F635 K640 Y642 H660	I497-P658 HydrophobicContact CD1-CB 3.9Å; I497-P658 HydrophobicContact CD1-CG 4.04Å; I497-P658 HydrophobicContact CG1-CB 4.49Å; I497-P658 HydrophobicContact CG1-CG 4.14Å; I497-P658 HydrophobicContact CG2-CG 4.31Å; F635-P658 HydrophobicContact CE2-CG 4.42Å; K640-P658 WeakPolarHBondContact O-CD 3.04Å; Y642-P658 HydrophobicContact CD1-CB 4.24Å; Y642-P658 HydrophobicContact CD1-CG 4.03Å; Y642-P658 HydrophobicContact CE1-CB 3.68Å; Y642-P658 HydrophobicContact CE1-CG 3.92Å; Y642-P658 HydrophobicContact CE2-CB 4.32Å; P658-H660 PolarHBondContact O-N 2.69Å
659	R	94.4	Very high	90.1	Very high	60 Å²	60	68.9 Å²	68.9	23%	0.226	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	47.8	35.7	174.8	-52.8	-59.3	-68.5	-178.7	1.7	114.2	E485 D489 I497 R657 R661 Q662 C663	E485-R659 IonicContact OE2-CZ 3.45Å; E485-R659 IonicContact OE2-NH1 3.97Å; E485-R659 PolarHBondContact OE2-NH1 3.47Å; E485-R659 IonicContact OE2-NH2 2.87Å; E485-R659 PolarHBondContact OE2-NH2 3.41Å; D489-R659 IonicContact OD1-CZ 3.58Å; D489-R659 IonicContact OD1-NE 3.11Å; D489-R659 PolarHBondContact OD1-NE 3.2Å; D489-R659 VanDerWaalsContact OD1-NE 3.09Å; D489-R659 IonicContact OD1-NH2 3.85Å; D489-R659 IonicContact OD2-CZ 3.51Å; D489-R659 IonicContact OD2-NE 3.37Å; D489-R659 PolarHBondContact OD2-NE 3.48Å; D489-R659 VanDerWaalsContact OD2-NE 3.13Å; D489-R659 IonicContact OD2-NH2 2.75Å; D489-R659 PolarHBondContact OD2-NH2 3.18Å; I497-R659 HydrophobicContact CD1-CB 4.18Å; I497-R659 HydrophobicContact CD1-CG 4.31Å; R657-R659 PolarHBondContact O-N 3.48Å; R659-R661 PolarHBondContact O-N 3.03Å; R659-Q662 HydrophobicContact CB-CB 4.46Å; R659-Q662 PolarHBondContact O-N 3.06Å; R659-C663 WeakPolarHBondContact O-CB 3.33Å; R659-C663 PolarHBondContact O-N 3.08Å; R659-C663 PolarHBondContact O-SG 2.87Å; R659-C663 VanDerWaalsContact O-SG 3.38Å
660	H	91.4	Very high	92.1	Very high	100 Å²	100	65 Å²	65	46%	0.463	29%	0.293	S	S	.	.	H	α-helix	trans	-54.4	-45.5	-169.1	-179.9	59.5	0	0	0	114.4	R657 P658 L664	R657-H660 HydrophobicContact CB-CB 4.15Å; R657-H660 PolarHBondContact O-N 3.25Å; P658-H660 PolarHBondContact O-N 2.69Å; H660-L664 WeakPolarHBondContact O-CB 3.41Å; H660-L664 PolarHBondContact O-N 3.35Å
661	R	93.8	Very high	93.6	Very high	131 Å²	131	66.9 Å²	66.9	49%	0.494	30%	0.304	S	S	.	.	H	α-helix	trans	-67	-50.2	179.6	176.5	179.9	167.8	-168.9	-5	110.9	E466 R659 L664 F665	E466-R661 IonicContact OE1-NE 3.16Å; E466-R661 IonicContact OE2-CZ 2.72Å; E466-R661 IonicContact OE2-NE 2.7Å; E466-R661 PolarHBondContact OE2-NE 2.77Å; E466-R661 IonicContact OE2-NH2 3.58Å; E466-R661 PolarHBondContact OE2-NH2 2.7Å; R659-R661 PolarHBondContact O-N 3.03Å; R661-L664 WeakPolarHBondContact O-CB 3.47Å; R661-L664 PolarHBondContact O-N 2.95Å; R661-F665 PolarHBondContact O-N 2.68Å; R661-F665 VanDerWaalsContact O-N 3.08Å
662	Q	96.1	Very high	94.1	Very high	33 Å²	33	64.9 Å²	64.9	15%	0.154	30%	0.3	C	S	.	.	H	α-helix	trans	-64.3	-44.6	-176.8	-66.3	79.8	8.2	0	0	111.7	Y467 D489 R659 L664 F665 W666	Y467-Q662 HydrophobicContact CE1-CG 3.92Å; Y467-Q662 HydrophobicContact CE2-CG 4.42Å; Y467-Q662 WeakPolarHBondContact OH-CB 3.12Å; D489-Q662 WeakPolarHBondContact OD2-CB 3.27Å; D489-Q662 WeakPolarHBondContact OD2-CG 3.44Å; R659-Q662 HydrophobicContact CB-CB 4.46Å; R659-Q662 PolarHBondContact O-N 3.06Å; Q662-L664 VanDerWaalsContact C-N 3.27Å; Q662-L664 PolarHBondContact O-N 3.46Å; Q662-F665 WeakPolarHBondContact O-CA 3.39Å; Q662-F665 VanDerWaalsContact O-CB 3.3Å; Q662-F665 WeakPolarHBondContact O-CB 3.42Å; Q662-F665 PolarHBondContact O-N 3.09Å; Q662-F665 VanDerWaalsContact O-N 3.08Å; Q662-W666 PolarHBondContact O-N 3.27Å
663	C	96.4	Very high	94.1	Very high	5 Å²	5	66.2 Å²	66.2	3%	0.034	31%	0.307	C	S	.	.	H	α-helix	trans	-71.1	-23.7	178.7	-58.3	0	0	0	0	113	C494 R659 R667	C494-C663 WeakPolarHBondContact CA-SG 3.5Å; C494-C663 HydrophobicContact CB-CB 3.67Å; C494-C663 WeakPolarHBondContact CB-SG 3.11Å; C494-C663 WeakPolarHBondContact SG-CA 3.33Å; C494-C663 WeakPolarHBondContact SG-CB 3.29Å; C494-C663 PolarHBondContact SG-N 2.96Å; C494-C663 CovalentContact SG-SG 2.06Å; C494-C663 PolarHBondContact SG-SG 2.88Å; R659-C663 WeakPolarHBondContact O-CB 3.33Å; R659-C663 PolarHBondContact O-N 3.08Å; R659-C663 PolarHBondContact O-SG 2.87Å; R659-C663 VanDerWaalsContact O-SG 3.38Å; C663-R667 WeakPolarHBondContact O-CB 3.41Å; C663-R667 PolarHBondContact O-N 3.1Å
664	L	94.7	Very high	94	Very high	57 Å²	57	67 Å²	67	30%	0.298	31%	0.311	S	S	.	.	H	α-helix	trans	-68.2	-41.2	168	-178.3	63.5	0	0	0	111.4	H660 R661 Q662 R667 R668	H660-L664 WeakPolarHBondContact O-CB 3.41Å; H660-L664 PolarHBondContact O-N 3.35Å; R661-L664 WeakPolarHBondContact O-CB 3.47Å; R661-L664 PolarHBondContact O-N 2.95Å; Q662-L664 VanDerWaalsContact C-N 3.27Å; Q662-L664 PolarHBondContact O-N 3.46Å; L664-R667 PolarHBondContact O-N 2.88Å; L664-R668 HydrophobicContact CD1-CB 4.27Å; L664-R668 WeakPolarHBondContact O-CB 3.38Å; L664-R668 PolarHBondContact O-N 3.19Å
665	F	96.6	Very high	93.7	Very high	6 Å²	6	68.6 Å²	68.6	3%	0.026	31%	0.314	C	S	.	.	I	π-helix	trans	-56.3	-55.8	172.7	171.2	-99.9	0	0	0	111.8	T463 E466 R661 Q662 R667 R668 W669 Y670	T463-F665 HydrophobicContact CG2-CE1 4.28Å; E466-F665 HydrophobicContact CG-CB 4.33Å; E466-F665 HydrophobicContact CG-CD2 3.66Å; E466-F665 HydrophobicContact CG-CE2 4.06Å; E466-F665 HydrophobicContact CG-CG 3.97Å; R661-F665 PolarHBondContact O-N 2.68Å; R661-F665 VanDerWaalsContact O-N 3.08Å; Q662-F665 WeakPolarHBondContact O-CA 3.39Å; Q662-F665 VanDerWaalsContact O-CB 3.3Å; Q662-F665 WeakPolarHBondContact O-CB 3.42Å; Q662-F665 PolarHBondContact O-N 3.09Å; Q662-F665 VanDerWaalsContact O-N 3.08Å; F665-R667 VanDerWaalsContact C-N 3.32Å; F665-R667 PolarHBondContact O-N 3.43Å; F665-R668 PolarHBondContact O-N 3.33Å; F665-W669 HydrophobicContact CD2-CB 3.78Å; F665-W669 HydrophobicContact CE2-CB 4.31Å; F665-W669 PolarHBondContact O-N 3.03Å; F665-Y670 AromaticContact CE1-CD2 3.99Å; F665-Y670 HydrophobicContact CE1-CD2 3.99Å; F665-Y670 HydrophobicContact CE1-CG 4.43Å; F665-Y670 AromaticContact CZ-CD2 3.85Å; F665-Y670 HydrophobicContact CZ-CD2 3.85Å; F665-Y670 HydrophobicContact CZ-CG 4.47Å; F665-Y670 PolarHBondContact O-N 3.1Å
666	W	96.1	Very high	93.4	Very high	25 Å²	25	70.6 Å²	70.6	10%	0.095	32%	0.319	C	S	.	.	I	π-helix	trans	-63.8	-34.2	-179.5	-68.1	115.1	0	0	0	113.9	L444 T463 Y467 I486 R490 C494 Q662 Y670 P671	L444-W666 HydrophobicContact CD2-CH2 3.62Å; L444-W666 HydrophobicContact CD2-CZ3 4.07Å; T463-W666 HydrophobicContact CG2-CH2 3.94Å; T463-W666 HydrophobicContact CG2-CZ2 4.08Å; Y467-W666 HydrophobicContact CE2-CZ2 4.34Å; Y467-W666 AromaticContact CZ-NE1 3.91Å; Y467-W666 PolarHBondContact OH-NE1 3.47Å; I486-W666 HydrophobicContact CG2-CH2 4.32Å; I486-W666 HydrophobicContact CG2-CZ2 4Å; R490-W666 HydrophobicContact CB-CD2 4.33Å; R490-W666 HydrophobicContact CB-CE3 4.41Å; R490-W666 HydrophobicContact CB-CH2 3.95Å; R490-W666 HydrophobicContact CB-CZ2 3.85Å; R490-W666 HydrophobicContact CB-CZ3 4.23Å; R490-W666 HydrophobicContact CG-CE3 4.25Å; R490-W666 HydrophobicContact CG-CH2 4.1Å; R490-W666 HydrophobicContact CG-CZ2 4.48Å; R490-W666 HydrophobicContact CG-CZ3 3.98Å; C494-W666 HydrophobicContact CB-CB 4.46Å; Q662-W666 PolarHBondContact O-N 3.27Å; W666-Y670 HydrophobicContact CE3-CD1 4.06Å; W666-Y670 HydrophobicContact CE3-CD2 4.12Å; W666-Y670 AromaticContact CE3-CG 3.77Å; W666-Y670 HydrophobicContact CE3-CG 3.77Å; W666-Y670 HydrophobicContact CH2-CD2 4.33Å; W666-Y670 HydrophobicContact CH2-CE2 4.41Å; W666-Y670 AromaticContact CZ3-CD1 3.95Å; W666-Y670 HydrophobicContact CZ3-CD1 3.95Å; W666-Y670 AromaticContact CZ3-CD2 3.56Å; W666-Y670 HydrophobicContact CZ3-CD2 3.56Å; W666-Y670 HydrophobicContact CZ3-CE1 4.14Å; W666-Y670 AromaticContact CZ3-CE2 3.78Å; W666-Y670 HydrophobicContact CZ3-CE2 3.78Å; W666-Y670 AromaticContact CZ3-CG 3.65Å; W666-Y670 HydrophobicContact CZ3-CG 3.65Å; W666-P671 VanDerWaalsContact O-CD 3.23Å; W666-P671 WeakPolarHBondContact O-CD 3.3Å; W666-P671 WeakPolarHBondContact O-CG 3.43Å
667	R	91.7	Very high	92.9	Very high	128 Å²	128	67.3 Å²	67.3	48%	0.483	30%	0.299	S	S	.	.	I	π-helix	trans	-79.9	-31.4	-178.5	-172.7	176.5	65.7	-151.7	3.6	113.6	N498 C663 L664 F665	N498-R667 PolarHBondContact OD1-NH1 3.18Å; C663-R667 WeakPolarHBondContact O-CB 3.41Å; C663-R667 PolarHBondContact O-N 3.1Å; L664-R667 PolarHBondContact O-N 2.88Å; F665-R667 VanDerWaalsContact C-N 3.32Å; F665-R667 PolarHBondContact O-N 3.43Å
668	R	91.8	Very high	92.6	Very high	159 Å²	159	64.8 Å²	64.8	60%	0.6	29%	0.294	S	S	*	.	I	π-helix	trans	-121.5	-51.3	-169.3	-175.2	178.5	179.3	172.5	0	113.6	L664 F665 A672	L664-R668 HydrophobicContact CD1-CB 4.27Å; L664-R668 WeakPolarHBondContact O-CB 3.38Å; L664-R668 PolarHBondContact O-N 3.19Å; F665-R668 PolarHBondContact O-N 3.33Å; R668-A672 WeakPolarHBondContact O-CB 3.32Å
669	W	94.1	Very high	92.4	Very high	133 Å²	133	70.5 Å²	70.5	50%	0.504	32%	0.315	S	S	.	.	I	π-helix	trans	-81.8	-47.9	-169.6	-63.2	120.4	0	0	0	111.8	F665 A672 L673	F665-W669 HydrophobicContact CD2-CB 3.78Å; F665-W669 HydrophobicContact CE2-CB 4.31Å; F665-W669 PolarHBondContact O-N 3.03Å; W669-A672 PolarHBondContact O-N 2.89Å; W669-L673 WeakPolarHBondContact O-CG 3.05Å; W669-L673 PolarHBondContact O-N 3.37Å
670	Y	95.2	Very high	92	Very high	18 Å²	18	70.5 Å²	70.5	7%	0.071	32%	0.319	C	S	.	.	H	α-helix	trans	-59.6	-46.2	179.7	-171.9	-89.6	0	0	0	112.9	L444 L459 R490 F665 W666 A672 L673 L674	L444-Y670 HydrophobicContact CD1-CE2 4.49Å; L444-Y670 HydrophobicContact CD2-CE2 3.85Å; L459-Y670 HydrophobicContact CB-CE2 4.22Å; L459-Y670 HydrophobicContact CD2-CD2 4.3Å; L459-Y670 HydrophobicContact CD2-CE2 3.96Å; R490-Y670 PolarHBondContact NH1-OH 3.31Å; F665-Y670 AromaticContact CE1-CD2 3.99Å; F665-Y670 HydrophobicContact CE1-CD2 3.99Å; F665-Y670 HydrophobicContact CE1-CG 4.43Å; F665-Y670 AromaticContact CZ-CD2 3.85Å; F665-Y670 HydrophobicContact CZ-CD2 3.85Å; F665-Y670 HydrophobicContact CZ-CG 4.47Å; F665-Y670 PolarHBondContact O-N 3.1Å; W666-Y670 HydrophobicContact CE3-CD1 4.06Å; W666-Y670 HydrophobicContact CE3-CD2 4.12Å; W666-Y670 AromaticContact CE3-CG 3.77Å; W666-Y670 HydrophobicContact CE3-CG 3.77Å; W666-Y670 HydrophobicContact CH2-CD2 4.33Å; W666-Y670 HydrophobicContact CH2-CE2 4.41Å; W666-Y670 AromaticContact CZ3-CD1 3.95Å; W666-Y670 HydrophobicContact CZ3-CD1 3.95Å; W666-Y670 AromaticContact CZ3-CD2 3.56Å; W666-Y670 HydrophobicContact CZ3-CD2 3.56Å; W666-Y670 HydrophobicContact CZ3-CE1 4.14Å; W666-Y670 AromaticContact CZ3-CE2 3.78Å; W666-Y670 HydrophobicContact CZ3-CE2 3.78Å; W666-Y670 AromaticContact CZ3-CG 3.65Å; W666-Y670 HydrophobicContact CZ3-CG 3.65Å; Y670-A672 VanDerWaalsContact C-N 3.31Å; Y670-A672 PolarHBondContact O-N 3.4Å; Y670-L673 WeakPolarHBondContact O-CB 3.19Å; Y670-L673 PolarHBondContact O-N 2.93Å; Y670-L674 PolarHBondContact O-N 2.96Å
671	P	92.3	Very high	91.6	Very high	59 Å²	59	70.2 Å²	70.2	38%	0.383	31%	0.314	S	S	.	.	H	α-helix	trans	-63.4	-34.3	175.8	-23.9	35.9	0	0	0	113.6	W666 L674 Q675	W666-P671 VanDerWaalsContact O-CD 3.23Å; W666-P671 WeakPolarHBondContact O-CD 3.3Å; W666-P671 WeakPolarHBondContact O-CG 3.43Å; P671-L674 PolarHBondContact O-N 3.34Å; P671-Q675 WeakPolarHBondContact O-CB 3.33Å; P671-Q675 PolarHBondContact O-N 3.1Å
672	A	93.3	Very high	91.1	Very high	47 Å²	47	70.6 Å²	70.6	39%	0.388	32%	0.321	S	S	.	.	H	α-helix	trans	-68.4	-37.8	176.5	0	0	0	0	0	111.9	R668 W669 Y670 Q676	R668-A672 WeakPolarHBondContact O-CB 3.32Å; W669-A672 PolarHBondContact O-N 2.89Å; Y670-A672 VanDerWaalsContact C-N 3.31Å; Y670-A672 PolarHBondContact O-N 3.4Å; A672-Q676 PolarHBondContact O-N 2.81Å; A672-Q676 VanDerWaalsContact O-N 3.16Å
673	L	92.1	Very high	90.4	Very high	43 Å²	43	75.7 Å²	75.7	23%	0.225	35%	0.345	C	S	.	.	H	α-helix	trans	-64.2	-46.9	172.1	-68.1	170	0	0	0	110.6	L459 Y462 W669 Y670 Q675 Q676 V677	L459-L673 HydrophobicContact CD2-CB 3.5Å; L459-L673 VanDerWaalsContact CD2-CB 3.5Å; Y462-L673 HydrophobicContact CD2-CD1 3.78Å; Y462-L673 HydrophobicContact CD2-CD2 3.83Å; Y462-L673 HydrophobicContact CD2-CG 4.49Å; Y462-L673 HydrophobicContact CE2-CD2 3.98Å; Y462-L673 HydrophobicContact CG-CD1 4.03Å; W669-L673 WeakPolarHBondContact O-CG 3.05Å; W669-L673 PolarHBondContact O-N 3.37Å; Y670-L673 WeakPolarHBondContact O-CB 3.19Å; Y670-L673 PolarHBondContact O-N 2.93Å; L673-Q675 VanDerWaalsContact C-N 3.33Å; L673-Q675 PolarHBondContact O-N 2.89Å; L673-Q676 WeakPolarHBondContact O-CA 3.47Å; L673-Q676 VanDerWaalsContact O-CB 3.3Å; L673-Q676 WeakPolarHBondContact O-CB 3.48Å; L673-Q676 PolarHBondContact O-N 3.17Å; L673-V677 WeakPolarHBondContact O-CG2 3.31Å; L673-V677 PolarHBondContact O-N 2.91Å
674	L	90.6	Very high	89.4	Confident	61 Å²	61	77.9 Å²	77.9	32%	0.319	36%	0.359	S	S	.	.	H	α-helix	trans	-58.8	-44	178.7	-173.7	64.3	0	0	0	111.7	L459 Y670 P671 Q676 V677 E678	L459-L674 HydrophobicContact CD1-CD1 4.06Å; Y670-L674 PolarHBondContact O-N 2.96Å; P671-L674 PolarHBondContact O-N 3.34Å; L674-Q676 VanDerWaalsContact C-N 3.25Å; L674-Q676 PolarHBondContact O-N 3.37Å; L674-V677 WeakPolarHBondContact O-CB 3.44Å; L674-V677 PolarHBondContact O-N 2.85Å; L674-V677 VanDerWaalsContact O-N 3.09Å; L674-E678 PolarHBondContact O-N 3.43Å
675	Q	90.3	Very high	88.2	Confident	105 Å²	105	82.5 Å²	82.5	49%	0.491	38%	0.384	S	S	.	.	H	α-helix	trans	-60.9	-34.6	174.5	-170.7	-179.6	22.5	0	0	112.4	P671 L673 R679	P671-Q675 WeakPolarHBondContact O-CB 3.33Å; P671-Q675 PolarHBondContact O-N 3.1Å; L673-Q675 VanDerWaalsContact C-N 3.33Å; L673-Q675 PolarHBondContact O-N 2.89Å; Q675-R679 WeakPolarHBondContact O-CG 3.29Å; Q675-R679 PolarHBondContact O-N 3.07Å
676	Q	88.8	Confident	86.5	Confident	79 Å²	79	85.6 Å²	85.6	37%	0.369	42%	0.417	S	S	.	.	H	α-helix	trans	-66.6	-41	174.3	-173.7	61.8	40	0	0	111.7	A672 L673 L674 R679 N680	A672-Q676 PolarHBondContact O-N 2.81Å; A672-Q676 VanDerWaalsContact O-N 3.16Å; L673-Q676 WeakPolarHBondContact O-CA 3.47Å; L673-Q676 VanDerWaalsContact O-CB 3.3Å; L673-Q676 WeakPolarHBondContact O-CB 3.48Å; L673-Q676 PolarHBondContact O-N 3.17Å; L674-Q676 VanDerWaalsContact C-N 3.25Å; L674-Q676 PolarHBondContact O-N 3.37Å; Q676-R679 PolarHBondContact O-N 3.47Å; Q676-N680 PolarHBondContact NE2-OD1 3.38Å; Q676-N680 PolarHBondContact O-N 3.43Å; Q676-N680 PolarHBondContact O-OD1 3.04Å
677	V	87.4	Confident	84.2	Confident	8 Å²	8	92.2 Å²	92.2	5%	0.048	46%	0.46	C	S	.	.	H	α-helix	trans	-57.8	-49.8	174.6	178.8	0	0	0	0	110.4	F455 T456 L459 L673 L674 R679 N680 R681	F455-V677 HydrophobicContact CB-CG1 3.94Å; F455-V677 WeakPolarHBondContact O-CG2 3.45Å; T456-V677 HydrophobicContact CG2-CG1 4.07Å; L459-V677 HydrophobicContact CD1-CG2 3.96Å; L459-V677 HydrophobicContact CD2-CG2 4.44Å; L459-V677 HydrophobicContact CG-CG2 4.07Å; L673-V677 WeakPolarHBondContact O-CG2 3.31Å; L673-V677 PolarHBondContact O-N 2.91Å; L674-V677 WeakPolarHBondContact O-CB 3.44Å; L674-V677 PolarHBondContact O-N 2.85Å; L674-V677 VanDerWaalsContact O-N 3.09Å; V677-R679 PolarHBondContact O-N 3.12Å; V677-N680 PolarHBondContact O-N 3.31Å; V677-R681 PolarHBondContact O-N 3.24Å
678	E	86.1	Confident	83.8	Confident	100 Å²	100	90.5 Å²	90.5	47%	0.467	46%	0.459	S	S	.	.	H	α-helix	trans	-60.2	-44.3	179	-70.1	171.7	-174.7	0	0	112.3	L674 N680 R681 Q682	L674-E678 PolarHBondContact O-N 3.43Å; E678-N680 PolarHBondContact O-N 3.28Å; E678-R681 PolarHBondContact O-N 3.07Å; E678-Q682 WeakPolarHBondContact O-CG 3.47Å; E678-Q682 PolarHBondContact O-N 2.8Å
679	R	87	Confident	83.4	Confident	124 Å²	124	86.8 Å²	86.8	47%	0.468	45%	0.452	S	S	.	.	H	α-helix	trans	-62.4	-41	176.5	-75.2	-172	-63.5	-159.5	1.4	112.6	Q675 Q676 V677 Q682 H683	Q675-R679 WeakPolarHBondContact O-CG 3.29Å; Q675-R679 PolarHBondContact O-N 3.07Å; Q676-R679 PolarHBondContact O-N 3.47Å; V677-R679 PolarHBondContact O-N 3.12Å; R679-Q682 PolarHBondContact O-N 2.85Å; R679-H683 PolarHBondContact O-N 3.07Å
680	N	86.2	Confident	82.8	Confident	59 Å²	59	84.3 Å²	84.3	32%	0.316	45%	0.449	S	S	.	.	H	α-helix	trans	-65.3	-42.1	178	-70.6	-8.7	0	0	0	111.3	F455 Q676 V677 E678 H683 C684	F455-N680 HydrophobicContact CD1-CB 3.95Å; F455-N680 HydrophobicContact CE1-CB 3.9Å; F455-N680 HydrophobicContact CG-CB 4.44Å; F455-N680 HydrophobicContact CZ-CB 4.34Å; Q676-N680 PolarHBondContact NE2-OD1 3.38Å; Q676-N680 PolarHBondContact O-N 3.43Å; Q676-N680 PolarHBondContact O-OD1 3.04Å; V677-N680 PolarHBondContact O-N 3.31Å; E678-N680 PolarHBondContact O-N 3.28Å; N680-H683 PolarHBondContact O-N 2.56Å; N680-C684 PolarHBondContact O-N 3.29Å; N680-C684 VanDerWaalsContact O-N 3.11Å
681	R	83.4	Confident	82.1	Confident	95 Å²	95	88.2 Å²	88.2	36%	0.358	47%	0.471	S	S	.	.	H	α-helix	trans	-59.9	-46.5	174.6	-75.8	-179	173.3	173	-2.4	111.7	D450 F455 V677 E678 H683 C684 L685	D450-R681 IonicContact OD1-CZ 2.64Å; D450-R681 IonicContact OD1-NH2 3.88Å; D450-R681 PolarHBondContact OD1-NH2 3.01Å; D450-R681 IonicContact OD2-CZ 3.06Å; D450-R681 IonicContact OD2-NH2 2.76Å; D450-R681 PolarHBondContact OD2-NH2 3.29Å; F455-R681 HydrophobicContact CD2-CG 3.67Å; F455-R681 HydrophobicContact CE2-CG 4.12Å; V677-R681 PolarHBondContact O-N 3.24Å; E678-R681 PolarHBondContact O-N 3.07Å; R681-H683 VanDerWaalsContact C-N 3.34Å; R681-H683 PolarHBondContact O-N 3.14Å; R681-C684 PolarHBondContact O-N 3.49Å; R681-L685 WeakPolarHBondContact O-CG 3.3Å; R681-L685 PolarHBondContact O-N 3.16Å; R681-L685 VanDerWaalsContact O-N 3.08Å
682	Q	82.8	Confident	81.5	Confident	139 Å²	139	90 Å²	90	65%	0.65	48%	0.477	S	S	*	.	H	α-helix	trans	-61.6	-40.9	177.1	-73.3	179.3	-7.5	0	0	112.5	E678 R679 C684 L685 G686	E678-Q682 WeakPolarHBondContact O-CG 3.47Å; E678-Q682 PolarHBondContact O-N 2.8Å; R679-Q682 PolarHBondContact O-N 2.85Å; Q682-C684 VanDerWaalsContact C-N 3.32Å; Q682-C684 PolarHBondContact O-N 3.09Å; Q682-L685 PolarHBondContact O-N 3.5Å; Q682-G686 PolarHBondContact O-N 3.07Å
683	H	82.5	Confident	80.7	Confident	140 Å²	140	92.9 Å²	92.9	65%	0.648	48%	0.482	S	S	*	.	H	α-helix	trans	-64.6	-37	178.6	-169.1	58.5	0	0	0	112.2	R679 N680 R681 V687	R679-H683 PolarHBondContact O-N 3.07Å; N680-H683 PolarHBondContact O-N 2.56Å; R681-H683 VanDerWaalsContact C-N 3.34Å; R681-H683 PolarHBondContact O-N 3.14Å; H683-V687 WeakPolarHBondContact O-CG2 3.21Å
684	C	74.2	Confident	79.9	Confident	50 Å²	50	96.4 Å²	96.4	34%	0.338	50%	0.501	S	S	.	.	H	α-helix	trans	-77.9	-24.6	177.7	-73.7	0	0	0	0	114.8	F455 N680 R681 Q682 G686	F455-C684 HydrophobicContact CZ-CB 4.43Å; N680-C684 PolarHBondContact O-N 3.29Å; N680-C684 VanDerWaalsContact O-N 3.11Å; R681-C684 PolarHBondContact O-N 3.49Å; Q682-C684 VanDerWaalsContact C-N 3.32Å; Q682-C684 PolarHBondContact O-N 3.09Å; C684-G686 VanDerWaalsContact C-N 3.34Å
685	L	69.1	Low	79	Confident	154 Å²	154	99.2 Å²	99.2	81%	0.806	52%	0.515	S	S	*	.	H	α-helix	trans	-78.7	-19.3	174.4	-71.4	170.8	0	0	0	112.9	R681 Q682	R681-L685 WeakPolarHBondContact O-CG 3.3Å; R681-L685 PolarHBondContact O-N 3.16Å; R681-L685 VanDerWaalsContact O-N 3.08Å; Q682-L685 PolarHBondContact O-N 3.5Å
686	G	62.1	Low	78.1	Confident	71 Å²	71	98.7 Å²	98.7	73%	0.732	52%	0.517	S	S	*	.			trans	-90.3	-2.3	177.5	0	0	0	0	0	115	Q682 C684	Q682-G686 PolarHBondContact O-N 3.07Å; C684-G686 VanDerWaalsContact C-N 3.34Å
687	V	47.5	Very low	77.1	Confident	165 Å²	165	100.5 Å²	100.5	100%	1	53%	0.53	S	S	*	.			trans	-111.2	0	175.5	179.8	0	0	0	0	107.8	H683	H683-V687 WeakPolarHBondContact O-CG2 3.21Å

Retrieved 687 of 687 residues in 643 ms (Link to these results)

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