A0A087WWV9_HUMAN Loading...

Dynein axonemal intermediate chain 1

Part of the dynein complex of respiratory cilia.

AlphaFold DB , UniProt , Accession A0A087WWV9, Species HUMAN (Homo sapiens, Human), Gene DNAI1, Length 703 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	35.2	Very low	31.2	Very low	230 Å²	230	151.3 Å²	151.3	100%	1.133	87%	0.868	S	S	*	*				0	105.7	0	-64.8	159.4	-174.9	0	0	105.9
2	I	29.1	Very low	31	Very low	156 Å²	156	153.8 Å²	153.8	80%	0.8	87%	0.866	S	S	*	*			cis	61.1	127.2	20.8	-54.3	175.8	0	0	0	110.1
3	P	36.4	Very low	31.3	Very low	122 Å²	122	151.6 Å²	151.6	79%	0.792	86%	0.862	S	S	*	*			cis	-120.3	-176.6	28.4	21.4	1.9	0	0	0	114.6
4	A	28.8	Very low	31.3	Very low	97 Å²	97	154.9 Å²	154.9	80%	0.802	87%	0.866	S	S	*	*			cis	-168.7	157.9	-33.8	0	0	0	0	0	108.3
5	S	28.3	Very low	31.1	Very low	127 Å²	127	157.8 Å²	157.8	89%	0.888	87%	0.866	S	S	*	*			trans	-145.2	155.6	168.2	-169.5	0	0	0	0	110.9
6	A	32	Very low	31.1	Very low	96 Å²	96	159.4 Å²	159.4	79%	0.793	87%	0.865	S	S	*	*			trans	-85.7	155.9	-158.9	0	0	0	0	0	115.1
7	K	28	Very low	30.9	Very low	213 Å²	213	155.8 Å²	155.8	93%	0.926	86%	0.855	S	S	*	*			trans	-132.5	140.7	160.7	-79.7	-167.9	174	-175.2	0	110.5
8	A	30.3	Very low	30.8	Very low	96 Å²	96	155.7 Å²	155.7	79%	0.793	85%	0.851	S	S	*	*			trans	-106	164.6	170.5	0	0	0	0	0	110
9	P	34.3	Very low	30.6	Very low	127 Å²	127	153.2 Å²	153.2	83%	0.825	85%	0.846	S	S	*	*	P	Polyproline II helix	trans	-91.7	155.7	-151.3	34.1	-36.7	0	0	0	116.6
10	H	28.5	Very low	30.5	Very low	195 Å²	195	153.7 Å²	153.7	90%	0.903	85%	0.845	S	S	*	*	P	Polyproline II helix	trans	-69.9	149.3	164.8	-87.8	-86	0	0	0	112.3
11	K	31.9	Very low	30.3	Very low	205 Å²	205	149.3 Å²	149.3	89%	0.891	84%	0.836	S	S	*	*	P	Polyproline II helix	trans	-98.4	153.7	161.1	-75.9	-177.6	174.6	179.1	0	111
12	Q	29.8	Very low	30	Very low	182 Å²	182	150.8 Å²	150.8	85%	0.85	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-90.8	157.9	179.9	-70.6	-179.9	-11.2	0	0	112.6
13	P	34.7	Very low	30	Very low	125 Å²	125	146.6 Å²	146.6	81%	0.812	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-86.8	157.8	179.9	35.3	-36	0	0	0	113.9
14	H	30.6	Very low	29.7	Very low	197 Å²	197	148.1 Å²	148.1	91%	0.912	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-100.1	157.7	175.3	-121.5	-88	0	0	0	112.5
15	K	29.3	Very low	30	Very low	199 Å²	199	155.3 Å²	155.3	87%	0.865	84%	0.838	S	S	*	*			trans	-120.7	146.6	176.2	-74.1	-176.4	175.5	-179.4	0	112.9
16	Q	30.4	Very low	30.2	Very low	184 Å²	184	158.9 Å²	158.9	86%	0.86	84%	0.838	S	S	*	*			trans	-146.5	123.9	156.5	-74.5	-178.6	-18.9	0	0	105.2
17	S	28.4	Very low	30.1	Very low	98 Å²	98	164.1 Å²	164.1	69%	0.685	84%	0.837	S	S	*	*				71.9	129.3	59.8	72.5	0	0	0	0	114.5
18	I	29	Very low	30.5	Very low	153 Å²	153	161.2 Å²	161.2	79%	0.785	83%	0.831	S	S	*	*			cis	-171.4	134.7	-15.2	-115.6	155.8	0	0	0	107.5
19	S	25.5	Very low	30.5	Very low	109 Å²	109	164.7 Å²	164.7	76%	0.762	83%	0.831	S	S	*	*			trans	43.6	174.4	164.5	69.4	0	0	0	0	119.7
20	I	29	Very low	30.4	Very low	162 Å²	162	166.6 Å²	166.6	83%	0.831	83%	0.834	S	S	*	*			cis	-139.2	156.3	0.4	-55.9	171.3	0	0	0	105.2
21	G	27.4	Very low	30.6	Very low	63 Å²	63	163.1 Å²	163.1	65%	0.649	83%	0.832	S	S	*	*			cis	141.7	176.5	2.8	0	0	0	0	0	111.5
22	R	28.8	Very low	30.6	Very low	260 Å²	260	156.8 Å²	156.8	98%	0.981	83%	0.825	S	S	*	*			trans	74.3	150.7	-169.2	-68.4	-176	167.6	-178	-3.7	116.3
23	G	28.9	Very low	30.9	Very low	68 Å²	68	155.2 Å²	155.2	70%	0.701	83%	0.828	S	S	*	*			trans	-161.2	-171	175.7	0	0	0	0	0	111
24	T	30.1	Very low	30.8	Very low	155 Å²	155	158.4 Å²	158.4	95%	0.951	83%	0.832	S	S	*	*			trans	-153.6	156.5	-177	9.4	0	0	0	0	112.6
25	R	35.4	Very low	31.3	Very low	248 Å²	248	156 Å²	156	94%	0.936	83%	0.831	S	S	*	*			trans	-92.1	135.3	172.1	-68.7	175.3	172.5	168	-5.6	111.7
26	K	31.4	Very low	31.5	Very low	202 Å²	202	150.1 Å²	150.1	88%	0.878	83%	0.826	S	S	*	*			trans	-148.2	120.4	144.8	-87.1	-171.4	171.2	-170.4	0	104.9
27	R	30.8	Very low	31.7	Very low	206 Å²	206	150.9 Å²	150.9	78%	0.777	83%	0.83	S	S	*	*				78	113.7	58.6	-165.9	-172.8	-165.3	-145.8	5.8	110.9	E29	R27-E29 IonicContact NH1-OE1 3.61Å
28	D	35.2	Very low	32.1	Very low	151 Å²	151	149.2 Å²	149.2	81%	0.807	83%	0.829	S	S	*	*			trans	-69.4	152.8	177	-36.2	-94.9	0	0	0	111.4
29	E	30.8	Very low	32.5	Very low	169 Å²	169	148.7 Å²	148.7	79%	0.79	83%	0.832	S	S	*	*			trans	-155.1	145.2	164.6	-132.5	151	-125.8	0	0	109.5	R27	R27-E29 IonicContact NH1-OE1 3.61Å
30	D	33.5	Very low	33.1	Very low	167 Å²	167	150.6 Å²	150.6	89%	0.893	83%	0.834	S	S	*	*			trans	-77.8	144.4	-167.1	-87.1	-63.7	0	0	0	115.1
31	S	32.7	Very low	33.9	Very low	122 Å²	122	150.9 Å²	150.9	85%	0.853	83%	0.832	S	S	*	*			trans	-163.1	135	145.3	58.5	0	0	0	0	109.2
32	G	31.3	Very low	34.8	Very low	73 Å²	73	160.1 Å²	160.1	75%	0.753	85%	0.847	S	S	*	*			cis	168.5	119	-7.3	0	0	0	0	0	108.5	E34	G32-E34 PolarHBondContact O-N 3.25Å
33	T	35.5	Very low	35.9	Very low	148 Å²	148	152.4 Å²	152.4	91%	0.908	84%	0.839	S	S	*	*			trans	-83.1	101.1	-173	12.7	0	0	0	0	112.2
34	E	32.7	Very low	36.8	Very low	193 Å²	193	156.4 Å²	156.4	90%	0.902	84%	0.84	S	S	*	*			trans	-95.5	139.8	159	-72.7	-166	133.5	0	0	110.7	G32	G32-E34 PolarHBondContact O-N 3.25Å
35	V	40.6	Very low	37.6	Very low	147 Å²	147	154.5 Å²	154.5	89%	0.891	83%	0.833	S	S	*	*			trans	-115	111	171.4	178.7	0	0	0	0	106.8
36	G	33.6	Very low	38.6	Very low	74 Å²	74	152.5 Å²	152.5	76%	0.763	83%	0.831	S	S	*	*			trans	-126.8	146.1	178.4	0	0	0	0	0	110.9
37	E	35.7	Very low	39.5	Very low	201 Å²	201	146.9 Å²	146.9	94%	0.939	82%	0.822	S	S	*	*			trans	-88.2	147.8	-168.8	-59.7	174	109.4	0	0	113.7
38	G	37.3	Very low	40.7	Very low	63 Å²	63	143.5 Å²	143.5	65%	0.649	83%	0.825	S	S	*	*			trans	96.1	107.6	130.9	0	0	0	0	0	120.2
39	T	36.2	Very low	41.7	Very low	141 Å²	141	142.4 Å²	142.4	87%	0.865	82%	0.823	S	S	*	*			trans	75.6	145.8	144.1	35.8	0	0	0	0	122.2
40	D	39.5	Very low	43.1	Very low	149 Å²	149	143 Å²	143	80%	0.797	82%	0.818	S	S	*	*			trans	64.8	64.2	161.8	-68.5	6.4	0	0	0	121
41	E	43.8	Very low	44.6	Very low	168 Å²	168	138.8 Å²	138.8	79%	0.785	80%	0.8	S	S	*	*			trans	-92.8	8.7	163.9	-151.5	175.2	-141.9	0	0	114.1	A43	E41-A43 PolarHBondContact O-N 3.37Å
42	W	47.2	Very low	46.2	Very low	257 Å²	257	139.1 Å²	139.1	97%	0.973	80%	0.799	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.8	-0.6	-175.4	-143.7	-80.9	0	0	0	114.8
43	A	51.4	Low	47.8	Very low	98 Å²	98	143 Å²	143	81%	0.81	80%	0.802	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.2	-2.8	-172.9	0	0	0	0	0	115.4	E41	E41-A43 PolarHBondContact O-N 3.37Å
44	Q	48.2	Very low	49.5	Very low	153 Å²	153	141.1 Å²	141.1	72%	0.715	78%	0.783	S	S	*	*	S	Bend	trans	-89	121.8	-179.9	-64.1	-165.9	27.5	0	0	112	K46	Q44-K46 PolarHBondContact O-N 3.27Å
45	S	47.4	Very low	51.4	Low	115 Å²	115	138.7 Å²	138.7	80%	0.804	78%	0.776	S	S	*	*			trans	-63.7	120.3	172.1	54.1	0	0	0	0	110.3	A47	S45-A47 PolarHBondContact O-N 3.15Å
46	K	55.9	Low	52.9	Low	205 Å²	205	140 Å²	140	89%	0.891	77%	0.772	S	S	*	*			trans	-57.1	101.6	-178.3	-69.6	-174.4	177.1	-177.7	0	111.9	Q44 T48	Q44-K46 PolarHBondContact O-N 3.27Å; K46-T48 PolarHBondContact O-N 2.65Å
47	A	50.5	Low	54.8	Low	84 Å²	84	140.6 Å²	140.6	69%	0.694	76%	0.757	S	S	*	*			trans	-61.5	133.3	170.4	0	0	0	0	0	109.8	S45 V49	S45-A47 PolarHBondContact O-N 3.15Å; A47-V49 PolarHBondContact O-N 2.68Å
48	T	56	Low	56.6	Low	136 Å²	136	134.9 Å²	134.9	83%	0.834	74%	0.736	S	S	*	*			trans	-76.7	85.5	-177.3	-44.9	0	0	0	0	110.6	K46 R50	K46-T48 PolarHBondContact O-N 2.65Å; T48-R50 PolarHBondContact O-N 3.12Å; T48-R50 VanDerWaalsContact O-N 3.09Å
49	V	56.9	Low	58.2	Low	128 Å²	128	137.7 Å²	137.7	78%	0.776	74%	0.736	S	S	*	*			trans	-63.5	108.5	173.6	-177.6	0	0	0	0	109	A47	A47-V49 PolarHBondContact O-N 2.68Å
50	R	58.7	Low	59.9	Low	182 Å²	182	134.5 Å²	134.5	69%	0.687	73%	0.725	S	S	*	*			trans	-74.4	127.8	165.8	-70.8	-169.9	179.8	-170.3	-0.9	108.8	T48	T48-R50 PolarHBondContact O-N 3.12Å; T48-R50 VanDerWaalsContact O-N 3.09Å
51	P	66.1	Low	61.5	Low	78 Å²	78	131.8 Å²	131.8	51%	0.506	71%	0.707	S	S	.	*			trans	-61	148.3	169.3	-21.8	34	0	0	0	111.1	D53 Q54	P51-D53 PolarHBondContact O-N 3.07Å; P51-Q54 WeakPolarHBondContact O-CB 3.39Å; P51-Q54 PolarHBondContact O-N 2.87Å
52	P	64.9	Low	62.8	Low	128 Å²	128	129.7 Å²	129.7	83%	0.831	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.1	-26.1	-178.1	26.5	-34.9	0	0	0	113.4	Q54	P52-Q54 VanDerWaalsContact C-N 3.34Å
53	D	65.9	Low	64.1	Low	154 Å²	154	124.7 Å²	124.7	82%	0.824	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.6	12.8	-178.7	-50.1	-58.9	0	0	0	113.5	P51 L55	P51-D53 PolarHBondContact O-N 3.07Å; D53-L55 PolarHBondContact O-N 3.48Å
54	Q	72	Confident	65.3	Low	110 Å²	110	126 Å²	126	51%	0.514	68%	0.675	S	S	.	*			trans	-75.9	111.2	-178.4	-173.8	171.4	5	0	0	111.5	P51 P52 E56	P51-Q54 WeakPolarHBondContact O-CB 3.39Å; P51-Q54 PolarHBondContact O-N 2.87Å; P52-Q54 VanDerWaalsContact C-N 3.34Å; Q54-E56 PolarHBondContact O-N 3.13Å
55	L	71.3	Confident	66.4	Low	141 Å²	141	127.3 Å²	127.3	74%	0.738	68%	0.681	S	S	*	*			trans	-55.7	127.2	179.2	-165.8	75	0	0	0	112.3	D53 L57	D53-L55 PolarHBondContact O-N 3.48Å; L55-L57 HydrophobicContact CD2-CD2 4.09Å; L55-L57 PolarHBondContact O-N 3.24Å; L55-L57 VanDerWaalsContact O-N 3.15Å
56	E	72.2	Confident	67.3	Low	174 Å²	174	128.9 Å²	128.9	81%	0.813	67%	0.674	S	S	*	*			trans	-79.5	94.7	177.2	-62.6	-163.1	138.4	0	0	111.1	Q54	Q54-E56 PolarHBondContact O-N 3.13Å
57	L	73.6	Confident	68	Low	87 Å²	87	125.3 Å²	125.3	46%	0.455	67%	0.669	S	S	.	*			trans	-79.2	151.1	173.6	-66.6	173.5	0	0	0	111.8	L55 E61	L55-L57 HydrophobicContact CD2-CD2 4.09Å; L55-L57 PolarHBondContact O-N 3.24Å; L55-L57 VanDerWaalsContact O-N 3.15Å; L57-E61 HydrophobicContact CB-CB 4.15Å; L57-E61 HydrophobicContact CD2-CB 4.3Å
58	T	73.7	Confident	68.6	Low	81 Å²	81	132.4 Å²	132.4	50%	0.497	68%	0.678	S	S	.	*			trans	-76.2	158.6	177	66.3	0	0	0	0	112.6	A60 E61 L62	T58-A60 PolarHBondContact O-N 3.25Å; T58-E61 VanDerWaalsContact CB-OE2 3.3Å; T58-E61 WeakPolarHBondContact CB-OE2 3.37Å; T58-E61 WeakPolarHBondContact CG2-OE2 3.29Å; T58-E61 PolarHBondContact N-OE2 2.93Å; T58-E61 PolarHBondContact O-N 3.3Å; T58-E61 PolarHBondContact OG1-OE2 3.3Å; T58-L62 PolarHBondContact O-N 2.91Å
59	D	71.8	Confident	69.5	Low	122 Å²	122	132.6 Å²	132.6	65%	0.652	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.4	-10.2	176.5	-91.6	2.5	0	0	0	115.6	K63	D59-K63 WeakPolarHBondContact O-CD 3.3Å; D59-K63 WeakPolarHBondContact O-CE 3.41Å; D59-K63 WeakPolarHBondContact O-CG 3.49Å; D59-K63 PolarHBondContact O-NZ 3.24Å
60	A	71.9	Confident	70.1	Confident	75 Å²	75	135 Å²	135	62%	0.62	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.4	-50	172.7	0	0	0	0	0	111.3	T58 L62 K63	T58-A60 PolarHBondContact O-N 3.25Å; A60-L62 VanDerWaalsContact C-N 3.28Å; A60-L62 PolarHBondContact O-N 3.17Å; A60-K63 PolarHBondContact O-N 2.97Å
61	E	72.8	Confident	70.7	Confident	92 Å²	92	130.6 Å²	130.6	43%	0.43	67%	0.674	S	S	.	*	G	3₁₀ helix	trans	-62.9	-35.6	176.6	-64.2	158.1	128.2	0	0	111.2	L57 T58 K63 E64	L57-E61 HydrophobicContact CB-CB 4.15Å; L57-E61 HydrophobicContact CD2-CB 4.3Å; T58-E61 VanDerWaalsContact CB-OE2 3.3Å; T58-E61 WeakPolarHBondContact CB-OE2 3.37Å; T58-E61 WeakPolarHBondContact CG2-OE2 3.29Å; T58-E61 PolarHBondContact N-OE2 2.93Å; T58-E61 PolarHBondContact O-N 3.3Å; T58-E61 PolarHBondContact OG1-OE2 3.3Å; E61-K63 PolarHBondContact O-N 3.03Å; E61-K63 VanDerWaalsContact O-N 3.15Å; E61-E64 PolarHBondContact O-N 3.46Å
62	L	71.6	Confident	71.1	Confident	124 Å²	124	131.7 Å²	131.7	65%	0.649	69%	0.689	S	S	*	*	G	3₁₀ helix	trans	-68.3	-5.9	174.9	-119.8	156.6	0	0	0	114.3	T58 A60	T58-L62 PolarHBondContact O-N 2.91Å; A60-L62 VanDerWaalsContact C-N 3.28Å; A60-L62 PolarHBondContact O-N 3.17Å
63	K	73.4	Confident	71.7	Confident	151 Å²	151	130.6 Å²	130.6	66%	0.657	68%	0.676	S	S	*	*	G	3₁₀ helix	trans	-112.2	6.1	176.4	-65.5	-178.2	-173.4	108.3	0	113.3	D59 A60 E61 E65	D59-K63 WeakPolarHBondContact O-CD 3.3Å; D59-K63 WeakPolarHBondContact O-CE 3.41Å; D59-K63 WeakPolarHBondContact O-CG 3.49Å; D59-K63 PolarHBondContact O-NZ 3.24Å; A60-K63 PolarHBondContact O-N 2.97Å; E61-K63 PolarHBondContact O-N 3.03Å; E61-K63 VanDerWaalsContact O-N 3.15Å; K63-E65 PolarHBondContact O-N 3.43Å
64	E	77.1	Confident	72.3	Confident	125 Å²	125	125.1 Å²	125.1	58%	0.584	65%	0.647	S	S	*	*			trans	-76.9	118.8	177.7	-170.3	167.9	-152.2	0	0	111.1	E61 F66	E61-E64 PolarHBondContact O-N 3.46Å; E64-F66 HydrophobicContact CB-CD2 4.38Å; E64-F66 HydrophobicContact CB-CE2 3.85Å; E64-F66 HydrophobicContact CG-CD2 4.39Å; E64-F66 HydrophobicContact CG-CE2 3.85Å; E64-F66 HydrophobicContact CG-CZ 4.09Å; E64-F66 VanDerWaalsContact O-CD2 3.3Å; E64-F66 WeakPolarHBondContact O-CD2 3.44Å; E64-F66 PolarHBondContact O-N 3.28Å; E64-F66 WeakPolarHBondContact OE2-CZ 3.39Å
65	E	71	Confident	72.7	Confident	182 Å²	182	125.7 Å²	125.7	85%	0.85	66%	0.66	S	S	*	*			trans	-79.5	82.9	-174.2	-67.5	-167.8	163	0	0	112.6	K63 T67	K63-E65 PolarHBondContact O-N 3.43Å; E65-T67 PolarHBondContact O-N 3.37Å; E65-T67 VanDerWaalsContact O-N 3.09Å
66	F	66.1	Low	73.2	Confident	148 Å²	148	127.1 Å²	127.1	65%	0.649	66%	0.663	S	S	*	*			trans	-67.7	104.5	175.6	-73.9	-82.7	0	0	0	112.9	E64 R68	E64-F66 HydrophobicContact CB-CD2 4.38Å; E64-F66 HydrophobicContact CB-CE2 3.85Å; E64-F66 HydrophobicContact CG-CD2 4.39Å; E64-F66 HydrophobicContact CG-CE2 3.85Å; E64-F66 HydrophobicContact CG-CZ 4.09Å; E64-F66 VanDerWaalsContact O-CD2 3.3Å; E64-F66 WeakPolarHBondContact O-CD2 3.44Å; E64-F66 PolarHBondContact O-N 3.28Å; E64-F66 WeakPolarHBondContact OE2-CZ 3.39Å; F66-R68 PolarHBondContact O-N 3.4Å
67	T	71.2	Confident	73.7	Confident	129 Å²	129	119.8 Å²	119.8	79%	0.791	63%	0.632	S	S	*	*			trans	-69.3	94.4	174.1	44.4	0	0	0	0	111.9	E65 I69	E65-T67 PolarHBondContact O-N 3.37Å; E65-T67 VanDerWaalsContact O-N 3.09Å; T67-I69 PolarHBondContact O-N 2.92Å; T67-I69 VanDerWaalsContact O-N 3.13Å
68	R	63.2	Low	74.2	Confident	233 Å²	233	119.1 Å²	119.1	88%	0.879	63%	0.633	S	S	*	*			trans	-76.2	98.2	-179.1	-65.8	-177.4	-177.5	-177.7	0.4	112.1	F66 L70	F66-R68 PolarHBondContact O-N 3.4Å; R68-L70 PolarHBondContact O-N 3.48Å
69	I	74.2	Confident	74.4	Confident	141 Å²	141	124.1 Å²	124.1	72%	0.723	65%	0.651	S	S	*	*			trans	-76.6	116	170.2	-56.8	176.1	0	0	0	109.3	T67 T71	T67-I69 PolarHBondContact O-N 2.92Å; T67-I69 VanDerWaalsContact O-N 3.13Å; I69-T71 HydrophobicContact CG2-CG2 4.31Å; I69-T71 PolarHBondContact O-N 3.33Å
70	L	70.6	Confident	75	Confident	177 Å²	177	123.8 Å²	123.8	93%	0.927	65%	0.649	S	S	*	*			trans	-71	113.2	172.6	-86.2	163.5	0	0	0	110.3	R68	R68-L70 PolarHBondContact O-N 3.48Å
71	T	69.6	Low	75.8	Confident	91 Å²	91	123.1 Å²	123.1	56%	0.558	63%	0.634	S	S	*	*			trans	-108.9	139	172.6	57.4	0	0	0	0	109.9	I69 N73	I69-T71 HydrophobicContact CG2-CG2 4.31Å; I69-T71 PolarHBondContact O-N 3.33Å; T71-N73 WeakPolarHBondContact CB-ND2 3.31Å; T71-N73 PolarHBondContact O-N 3.22Å; T71-N73 PolarHBondContact OG1-ND2 3.29Å; T71-N73 VanDerWaalsContact OG1-ND2 3.1Å
72	A	75.1	Confident	76.5	Confident	100 Å²	100	122.4 Å²	122.4	83%	0.826	64%	0.636	S	S	*	*			trans	-79.7	39.9	-179	0	0	0	0	0	112.9
73	N	78.1	Confident	77.4	Confident	105 Å²	105	124.8 Å²	124.8	56%	0.561	64%	0.636	S	S	*	*			trans	-87.4	137.2	178.6	-66.1	-39.2	0	0	0	109.9	T71	T71-N73 WeakPolarHBondContact CB-ND2 3.31Å; T71-N73 PolarHBondContact O-N 3.22Å; T71-N73 PolarHBondContact OG1-ND2 3.29Å; T71-N73 VanDerWaalsContact OG1-ND2 3.1Å
74	N	78.9	Confident	78.2	Confident	40 Å²	40	122.1 Å²	122.1	21%	0.214	62%	0.623	C	S	.	*			trans	-84	118.7	-179.9	176.2	-9.2	0	0	0	109.6	H76 A77 Q99	N74-H76 PolarHBondContact O-N 3.07Å; N74-H76 VanDerWaalsContact O-N 3.11Å; N74-H76 PolarHBondContact OD1-N 2.71Å; N74-A77 HydrophobicContact CB-CB 4.05Å; N74-A77 WeakPolarHBondContact O-CB 3.26Å; N74-A77 PolarHBondContact O-N 3.12Å; N74-Q99 HydrophobicContact CB-CB 4.36Å; N74-Q99 VanDerWaalsContact CB-O 3.31Å; N74-Q99 WeakPolarHBondContact CB-O 3.31Å; N74-Q99 PolarHBondContact ND2-O 3.13Å
75	P	80.4	Confident	78.9	Confident	121 Å²	121	117.5 Å²	117.5	79%	0.786	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.6	-13.9	-177.1	28.7	-36.1	0	0	0	113.9
76	H	80.7	Confident	79.7	Confident	171 Å²	171	117.8 Å²	117.8	79%	0.792	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.9	-0.4	175.3	-58.1	-65.6	0	0	0	113.5	N74	N74-H76 PolarHBondContact O-N 3.07Å; N74-H76 VanDerWaalsContact O-N 3.11Å; N74-H76 PolarHBondContact OD1-N 2.71Å
77	A	83.3	Confident	80.9	Confident	21 Å²	21	120.2 Å²	120.2	17%	0.174	61%	0.614	C	S	.	*	S	Bend	trans	-74.1	133.5	172	0	0	0	0	0	110.2	N74 Q79 V97	N74-A77 HydrophobicContact CB-CB 4.05Å; N74-A77 WeakPolarHBondContact O-CB 3.26Å; N74-A77 PolarHBondContact O-N 3.12Å; A77-Q79 PolarHBondContact O-N 2.77Å; A77-V97 HydrophobicContact CB-CG1 4.26Å
78	P	83	Confident	81.7	Confident	72 Å²	72	119 Å²	119	47%	0.468	60%	0.599	S	S	.	*			trans	-65	133.5	175.3	27.7	-34.3	0	0	0	109.9	N80 I81 V97	P78-N80 PolarHBondContact O-N 2.94Å; P78-N80 VanDerWaalsContact O-N 3.13Å; P78-I81 HydrophobicContact CG-CD1 4Å; P78-I81 HydrophobicContact CG-CG1 3.74Å; P78-V97 HydrophobicContact CG-CG1 4.32Å
79	Q	79.4	Confident	83	Confident	187 Å²	187	110.1 Å²	110.1	87%	0.874	58%	0.58	S	S	*	*	S	Bend	trans	-58.2	-31.4	-174.6	-66.6	-178.7	-5.8	0	0	113.6	A77	A77-Q79 PolarHBondContact O-N 2.77Å
80	N	83.9	Confident	83.7	Confident	114 Å²	114	106.6 Å²	106.6	61%	0.61	57%	0.565	S	S	*	*			trans	-142.7	144.6	172.3	-81.5	-69.1	0	0	0	109.6	P78	P78-N80 PolarHBondContact O-N 2.94Å; P78-N80 VanDerWaalsContact O-N 3.13Å
81	I	87.4	Confident	84.7	Confident	61 Å²	61	106.5 Å²	106.5	31%	0.313	55%	0.554	S	S	.	*			trans	-113.9	127	167.4	-61.9	174.7	0	0	0	107.6	P78 I94 V97	P78-I81 HydrophobicContact CG-CD1 4Å; P78-I81 HydrophobicContact CG-CG1 3.74Å; I81-I94 HydrophobicContact CB-CD1 4.26Å; I81-I94 HydrophobicContact CG2-CD1 3.77Å; I81-I94 HydrophobicContact CG2-CG1 4.41Å; I81-I94 PolarHBondContact O-N 2.92Å; I81-V97 HydrophobicContact CB-CG2 4.43Å; I81-V97 HydrophobicContact CD1-CG1 3.95Å; I81-V97 HydrophobicContact CD1-CG2 4.17Å; I81-V97 HydrophobicContact CG1-CG1 4.42Å; I81-V97 HydrophobicContact CG1-CG2 3.94Å
82	V	88.6	Confident	85.6	Confident	77 Å²	77	106.5 Å²	106.5	47%	0.467	55%	0.546	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	132.5	179.8	-172.8	0	0	0	0	108.5	Y91 K92 P93	V82-Y91 HydrophobicContact CG1-CD1 4.15Å; V82-Y91 HydrophobicContact CG1-CG 4.4Å; V82-K92 WeakPolarHBondContact CA-O 3.44Å; V82-P93 HydrophobicContact CG2-CB 4.47Å
83	R	89.4	Confident	86.2	Confident	174 Å²	174	106.1 Å²	106.1	66%	0.657	54%	0.535	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.3	142.8	176.7	-69.7	-172.9	178.6	176.2	-1.5	110.5	S85 K92 I94	R83-S85 PolarHBondContact O-N 2.92Å; R83-K92 PolarHBondContact N-O 3.49Å; R83-K92 PolarHBondContact O-N 3.1Å; R83-I94 HydrophobicContact CG-CD1 4.22Å
84	Y	91.2	Very high	86.5	Confident	95 Å²	95	104.2 Å²	104.2	37%	0.373	52%	0.524	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	120.9	175	-170.8	-106	0	0	0	110.6	F86 G89 Y91	Y84-F86 AromaticContact CD1-CD1 3.76Å; Y84-F86 HydrophobicContact CD1-CD1 3.76Å; Y84-F86 AromaticContact CD1-CD2 3.98Å; Y84-F86 HydrophobicContact CD1-CD2 3.98Å; Y84-F86 AromaticContact CD1-CE1 3.78Å; Y84-F86 HydrophobicContact CD1-CE1 3.78Å; Y84-F86 AromaticContact CD1-CE2 3.99Å; Y84-F86 HydrophobicContact CD1-CE2 3.99Å; Y84-F86 AromaticContact CD1-CG 3.86Å; Y84-F86 HydrophobicContact CD1-CG 3.86Å; Y84-F86 AromaticContact CD1-CZ 3.89Å; Y84-F86 HydrophobicContact CD1-CZ 3.89Å; Y84-F86 AromaticContact CE1-CD1 3.69Å; Y84-F86 HydrophobicContact CE1-CD1 3.69Å; Y84-F86 AromaticContact CE1-CE1 3.92Å; Y84-F86 HydrophobicContact CE1-CE1 3.92Å; Y84-F86 HydrophobicContact CE1-CG 4.08Å; Y84-F86 HydrophobicContact CE1-CZ 4.5Å; Y84-F86 PolarHBondContact O-N 3.06Å; Y84-G89 WeakPolarHBondContact OH-CA 3.42Å; Y84-G89 PolarHBondContact OH-O 3.28Å; Y84-Y91 HydrophobicContact CD2-CD1 4.12Å; Y84-Y91 AromaticContact CD2-CD2 3.86Å; Y84-Y91 HydrophobicContact CD2-CD2 3.86Å; Y84-Y91 HydrophobicContact CD2-CE1 4.01Å; Y84-Y91 AromaticContact CD2-CE2 3.74Å; Y84-Y91 HydrophobicContact CD2-CE2 3.74Å; Y84-Y91 HydrophobicContact CD2-CG 4.04Å; Y84-Y91 AromaticContact CD2-CZ 3.82Å; Y84-Y91 HydrophobicContact CE2-CD2 4.38Å; Y84-Y91 HydrophobicContact CE2-CE2 4.21Å; Y84-Y91 HydrophobicContact CG-CE1 4.36Å
85	S	90.6	Very high	86.4	Confident	29 Å²	29	106.5 Å²	106.5	20%	0.203	56%	0.558	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-86.1	96.9	172.8	-175.7	0	0	0	0	109	R83 K87 E88 G89 T90	R83-S85 PolarHBondContact O-N 2.92Å; S85-K87 PolarHBondContact O-N 3.49Å; S85-K87 VanDerWaalsContact O-N 3.12Å; S85-E88 CarbonylContact O-C 3.52Å; S85-E88 PolarHBondContact O-N 2.97Å; S85-E88 PolarHBondContact OG-OE1 3.24Å; S85-G89 PolarHBondContact O-N 3.28Å; S85-T90 PolarHBondContact N-O 3.47Å
86	F	89.6	Confident	86.4	Confident	188 Å²	188	107.9 Å²	107.9	83%	0.825	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.4	-24.7	176.5	-70.8	-86.4	0	0	0	113.4	Y84	Y84-F86 AromaticContact CD1-CD1 3.76Å; Y84-F86 HydrophobicContact CD1-CD1 3.76Å; Y84-F86 AromaticContact CD1-CD2 3.98Å; Y84-F86 HydrophobicContact CD1-CD2 3.98Å; Y84-F86 AromaticContact CD1-CE1 3.78Å; Y84-F86 HydrophobicContact CD1-CE1 3.78Å; Y84-F86 AromaticContact CD1-CE2 3.99Å; Y84-F86 HydrophobicContact CD1-CE2 3.99Å; Y84-F86 AromaticContact CD1-CG 3.86Å; Y84-F86 HydrophobicContact CD1-CG 3.86Å; Y84-F86 AromaticContact CD1-CZ 3.89Å; Y84-F86 HydrophobicContact CD1-CZ 3.89Å; Y84-F86 AromaticContact CE1-CD1 3.69Å; Y84-F86 HydrophobicContact CE1-CD1 3.69Å; Y84-F86 AromaticContact CE1-CE1 3.92Å; Y84-F86 HydrophobicContact CE1-CE1 3.92Å; Y84-F86 HydrophobicContact CE1-CG 4.08Å; Y84-F86 HydrophobicContact CE1-CZ 4.5Å; Y84-F86 PolarHBondContact O-N 3.06Å
87	K	90.6	Very high	86.5	Confident	199 Å²	199	100.4 Å²	100.4	87%	0.865	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	-24.1	174.9	-174.9	174.9	178.5	-178.9	0	113.4	S85	S85-K87 PolarHBondContact O-N 3.49Å; S85-K87 VanDerWaalsContact O-N 3.12Å
88	E	88.6	Confident	86.4	Confident	102 Å²	102	104.5 Å²	104.5	48%	0.477	54%	0.537	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126.2	9.8	-170.3	-63.4	174.1	-91.4	0	0	113.2	S85 T90 K92	S85-E88 CarbonylContact O-C 3.52Å; S85-E88 PolarHBondContact O-N 2.97Å; S85-E88 PolarHBondContact OG-OE1 3.24Å; E88-T90 WeakPolarHBondContact O-CB 3.49Å; E88-T90 WeakPolarHBondContact O-CG2 3.47Å; E88-T90 PolarHBondContact O-N 2.89Å; E88-T90 PolarHBondContact O-OG1 3.43Å; E88-K92 WeakPolarHBondContact OE1-CE 3.13Å; E88-K92 IonicContact OE1-NZ 3.51Å; E88-K92 PolarHBondContact OE1-NZ 3.08Å; E88-K92 WeakPolarHBondContact OE2-CE 3.44Å; E88-K92 IonicContact OE2-NZ 2.94Å; E88-K92 PolarHBondContact OE2-NZ 3.48Å
89	G	89.6	Confident	86.5	Confident	48 Å²	48	103.3 Å²	103.3	50%	0.495	53%	0.525	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.5	15.3	176.1	0	0	0	0	0	115.5	Y84 S85	Y84-G89 WeakPolarHBondContact OH-CA 3.42Å; Y84-G89 PolarHBondContact OH-O 3.28Å; S85-G89 PolarHBondContact O-N 3.28Å
90	T	89.6	Confident	86.7	Confident	67 Å²	67	100.1 Å²	100.1	41%	0.411	51%	0.513	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	145.8	-162.2	42.1	0	0	0	0	113.2	S85 E88 K92	S85-T90 PolarHBondContact N-O 3.47Å; E88-T90 WeakPolarHBondContact O-CB 3.49Å; E88-T90 WeakPolarHBondContact O-CG2 3.47Å; E88-T90 PolarHBondContact O-N 2.89Å; E88-T90 PolarHBondContact O-OG1 3.43Å; T90-K92 PolarHBondContact O-N 3.37Å
91	Y	91.9	Very high	86.6	Confident	175 Å²	175	97.3 Å²	97.3	69%	0.686	51%	0.506	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.7	116.4	171	-76.1	-79.7	0	0	0	110.1	V82 Y84	V82-Y91 HydrophobicContact CG1-CD1 4.15Å; V82-Y91 HydrophobicContact CG1-CG 4.4Å; Y84-Y91 HydrophobicContact CD2-CD1 4.12Å; Y84-Y91 AromaticContact CD2-CD2 3.86Å; Y84-Y91 HydrophobicContact CD2-CD2 3.86Å; Y84-Y91 HydrophobicContact CD2-CE1 4.01Å; Y84-Y91 AromaticContact CD2-CE2 3.74Å; Y84-Y91 HydrophobicContact CD2-CE2 3.74Å; Y84-Y91 HydrophobicContact CD2-CG 4.04Å; Y84-Y91 AromaticContact CD2-CZ 3.82Å; Y84-Y91 HydrophobicContact CE2-CD2 4.38Å; Y84-Y91 HydrophobicContact CE2-CE2 4.21Å; Y84-Y91 HydrophobicContact CG-CE1 4.36Å
92	K	88.2	Confident	86.4	Confident	91 Å²	91	98.7 Å²	98.7	40%	0.396	52%	0.517	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	129.7	178.9	-74.3	-167.1	167.9	-177.2	0	111.8	V82 R83 E88 T90	V82-K92 WeakPolarHBondContact CA-O 3.44Å; R83-K92 PolarHBondContact N-O 3.49Å; R83-K92 PolarHBondContact O-N 3.1Å; E88-K92 WeakPolarHBondContact OE1-CE 3.13Å; E88-K92 IonicContact OE1-NZ 3.51Å; E88-K92 PolarHBondContact OE1-NZ 3.08Å; E88-K92 WeakPolarHBondContact OE2-CE 3.44Å; E88-K92 IonicContact OE2-NZ 2.94Å; E88-K92 PolarHBondContact OE2-NZ 3.48Å; T90-K92 PolarHBondContact O-N 3.37Å
93	P	87.6	Confident	86.2	Confident	91 Å²	91	103.7 Å²	103.7	59%	0.591	54%	0.535	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.6	143	170.1	31.1	-33.7	0	0	0	110.5	V82	V82-P93 HydrophobicContact CG2-CB 4.47Å
94	I	84.1	Confident	86.2	Confident	65 Å²	65	103.6 Å²	103.6	33%	0.333	54%	0.536	S	S	.	.			trans	-86.2	117	169.3	-54.8	-179.2	0	0	0	107.3	I81 R83 F96	I81-I94 HydrophobicContact CB-CD1 4.26Å; I81-I94 HydrophobicContact CG2-CD1 3.77Å; I81-I94 HydrophobicContact CG2-CG1 4.41Å; I81-I94 PolarHBondContact O-N 2.92Å; R83-I94 HydrophobicContact CG-CD1 4.22Å; I94-F96 WeakPolarHBondContact CG2-O 3.44Å; I94-F96 PolarHBondContact O-N 3.27Å
95	G	76.8	Confident	86.2	Confident	89 Å²	89	104.1 Å²	104.1	92%	0.918	55%	0.549	S	S	*	.	S	Bend	trans	-66.8	-1.8	-171.2	0	0	0	0	0	116.7
96	F	80.6	Confident	86.1	Confident	149 Å²	149	109.9 Å²	109.9	65%	0.654	57%	0.573	S	S	*	*			trans	-148.2	130.5	171.5	178.5	-106.5	0	0	0	110.1	I94 N98	I94-F96 WeakPolarHBondContact CG2-O 3.44Å; I94-F96 PolarHBondContact O-N 3.27Å; F96-N98 HydrophobicContact CE1-CB 4.37Å
97	V	82.8	Confident	86.1	Confident	15 Å²	15	106.7 Å²	106.7	9%	0.091	57%	0.568	C	S	.	*			trans	-100.6	123.2	170.8	179.9	0	0	0	0	108.2	A77 P78 I81 Q99	A77-V97 HydrophobicContact CB-CG1 4.26Å; P78-V97 HydrophobicContact CG-CG1 4.32Å; I81-V97 HydrophobicContact CB-CG2 4.43Å; I81-V97 HydrophobicContact CD1-CG1 3.95Å; I81-V97 HydrophobicContact CD1-CG2 4.17Å; I81-V97 HydrophobicContact CG1-CG1 4.42Å; I81-V97 HydrophobicContact CG1-CG2 3.94Å; V97-Q99 PolarHBondContact O-N 3.09Å; V97-Q99 PolarHBondContact O-NE2 3.01Å
98	N	81.8	Confident	85.8	Confident	106 Å²	106	100.4 Å²	100.4	57%	0.567	56%	0.56	S	S	*	*			trans	-65.4	125.2	-180	-171.9	1.3	0	0	0	110.5	F96 L100	F96-N98 HydrophobicContact CE1-CB 4.37Å; N98-L100 WeakPolarHBondContact OD1-CB 3.38Å; N98-L100 PolarHBondContact OD1-N 3.28Å; N98-L100 VanDerWaalsContact OD1-N 3.12Å
99	Q	83.3	Confident	85.6	Confident	47 Å²	47	102.8 Å²	102.8	22%	0.22	58%	0.576	C	S	.	*			trans	-86.9	-9.8	-176.7	-57.8	-59	-52.6	0	0	113	N74 V97 A101	N74-Q99 HydrophobicContact CB-CB 4.36Å; N74-Q99 VanDerWaalsContact CB-O 3.31Å; N74-Q99 WeakPolarHBondContact CB-O 3.31Å; N74-Q99 PolarHBondContact ND2-O 3.13Å; V97-Q99 PolarHBondContact O-N 3.09Å; V97-Q99 PolarHBondContact O-NE2 3.01Å; Q99-A101 PolarHBondContact O-N 3.44Å; Q99-A101 VanDerWaalsContact O-N 3.13Å
100	L	84.3	Confident	85.3	Confident	120 Å²	120	108.7 Å²	108.7	63%	0.628	60%	0.595	S	S	*	*			trans	-60.9	114.2	-179.2	-178.4	64.9	0	0	0	111.9	N98 V102	N98-L100 WeakPolarHBondContact OD1-CB 3.38Å; N98-L100 PolarHBondContact OD1-N 3.28Å; N98-L100 VanDerWaalsContact OD1-N 3.12Å; L100-V102 HydrophobicContact CD2-CG2 3.87Å; L100-V102 HydrophobicContact CG-CG2 3.87Å; L100-V102 PolarHBondContact O-N 2.93Å
101	A	81.2	Confident	85	Confident	55 Å²	55	109 Å²	109	46%	0.455	59%	0.594	S	S	.	*			trans	-74.7	100.4	171	0	0	0	0	0	110.4	Q99 H103	Q99-A101 PolarHBondContact O-N 3.44Å; Q99-A101 VanDerWaalsContact O-N 3.13Å; A101-H103 PolarHBondContact O-N 3.1Å
102	V	85	Confident	84.7	Confident	90 Å²	90	104.8 Å²	104.8	55%	0.545	59%	0.588	S	S	.	*			trans	-91.7	100.4	178.4	-179	0	0	0	0	109.5	L100 T105	L100-V102 HydrophobicContact CD2-CG2 3.87Å; L100-V102 HydrophobicContact CG-CG2 3.87Å; L100-V102 PolarHBondContact O-N 2.93Å; V102-T105 WeakPolarHBondContact CG1-OG1 3.44Å
103	H	83.7	Confident	84.2	Confident	183 Å²	183	108.3 Å²	108.3	85%	0.847	60%	0.603	S	S	*	*			trans	-82.5	-28.9	179.2	-72.1	-88.8	0	0	0	113.7	A101	A101-H103 PolarHBondContact O-N 3.1Å
104	Y	89.4	Confident	83.8	Confident	172 Å²	172	110.8 Å²	110.8	68%	0.675	61%	0.612	S	S	*	*			trans	-151.4	138.3	179.7	-175.7	-105.3	0	0	0	110.6	Q106	Y104-Q106 HydrophobicContact CE1-CB 3.76Å; Y104-Q106 PolarHBondContact OH-OE1 3.12Å
105	T	90.7	Very high	83.9	Confident	106 Å²	106	109.5 Å²	109.5	65%	0.65	61%	0.608	S	S	*	*			trans	-139.2	130.6	173.4	-60.2	0	0	0	0	108.3	V102	V102-T105 WeakPolarHBondContact CG1-OG1 3.44Å
106	Q	88.8	Confident	84.2	Confident	149 Å²	149	109.9 Å²	109.9	70%	0.696	59%	0.589	S	S	*	*			trans	-125.6	130	172.4	-167.3	176.3	24.1	0	0	109.2	Y104	Y104-Q106 HydrophobicContact CE1-CB 3.76Å; Y104-Q106 PolarHBondContact OH-OE1 3.12Å
107	V	89.3	Confident	84.4	Confident	122 Å²	122	106.7 Å²	106.7	74%	0.739	58%	0.576	S	S	*	*			trans	-89.9	127.9	171.2	-177.2	0	0	0	0	107.8
108	G	84.4	Confident	84.4	Confident	67 Å²	67	106.4 Å²	106.4	69%	0.691	58%	0.577	S	S	*	*			trans	-92.7	135.5	-177.1	0	0	0	0	0	112.8
109	N	83.9	Confident	84.5	Confident	151 Å²	151	108.5 Å²	108.5	81%	0.807	58%	0.577	S	S	*	*			trans	-104.5	11.8	179.4	-62.8	-12	0	0	0	113.2
110	L	84.7	Confident	84.5	Confident	172 Å²	172	112.6 Å²	112.6	90%	0.901	59%	0.59	S	S	*	*			trans	-87.5	121.1	-179.5	-75.8	163.6	0	0	0	110.6
111	I	83.1	Confident	84.4	Confident	73 Å²	73	111 Å²	111	37%	0.374	58%	0.579	S	S	.	*			trans	-116	124.2	-176.1	-61.4	171.6	0	0	0	109.1	S115 E117	I111-S115 WeakPolarHBondContact CG2-OG 3.38Å; I111-E117 HydrophobicContact CD1-CG 3.97Å; I111-E117 HydrophobicContact CG2-CB 3.99Å; I111-E117 HydrophobicContact CG2-CG 4.43Å
112	P	85.5	Confident	84.3	Confident	88 Å²	88	113.3 Å²	113.3	57%	0.571	58%	0.581	S	S	*	*			trans	-64.2	136.1	174.8	-21.5	33.2	0	0	0	111.6	D114 S115	P112-D114 VanDerWaalsContact C-N 3.26Å; P112-D114 PolarHBondContact O-N 3.33Å; P112-S115 VanDerWaalsContact O-CB 3.29Å; P112-S115 WeakPolarHBondContact O-CB 3.48Å; P112-S115 PolarHBondContact O-N 3.13Å; P112-S115 VanDerWaalsContact O-N 3.07Å; P112-S115 PolarHBondContact O-OG 2.94Å
113	K	77.8	Confident	83.9	Confident	165 Å²	165	116.2 Å²	116.2	72%	0.717	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.6	-36.5	-178	-69.4	-168.9	174.6	-168.9	0	113.2	S115	K113-S115 PolarHBondContact O-N 3.36Å
114	D	79.7	Confident	83.7	Confident	143 Å²	143	116.4 Å²	116.4	77%	0.765	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.6	-10.5	-178.2	-46	-58.9	0	0	0	113.4	P112	P112-D114 VanDerWaalsContact C-N 3.26Å; P112-D114 PolarHBondContact O-N 3.33Å
115	S	85	Confident	83.1	Confident	37 Å²	37	113.3 Å²	113.3	26%	0.259	57%	0.571	S	S	.	*	S	Bend	trans	-72.6	156.8	177.8	74.4	0	0	0	0	112.2	I111 P112 K113 E117 G118 R119	I111-S115 WeakPolarHBondContact CG2-OG 3.38Å; P112-S115 VanDerWaalsContact O-CB 3.29Å; P112-S115 WeakPolarHBondContact O-CB 3.48Å; P112-S115 PolarHBondContact O-N 3.13Å; P112-S115 VanDerWaalsContact O-N 3.07Å; P112-S115 PolarHBondContact O-OG 2.94Å; K113-S115 PolarHBondContact O-N 3.36Å; S115-E117 PolarHBondContact O-N 2.87Å; S115-G118 PolarHBondContact O-N 3.09Å; S115-G118 VanDerWaalsContact O-N 3.13Å; S115-G118 PolarHBondContact OG-N 3.18Å; S115-G118 VanDerWaalsContact OG-N 3.12Å; S115-R119 WeakPolarHBondContact O-CG 3.39Å; S115-R119 PolarHBondContact O-N 3.15Å
116	D	83.9	Confident	82.2	Confident	98 Å²	98	113 Å²	113	52%	0.524	56%	0.563	S	S	.	*	H	α-helix	trans	-58.9	-32	176.6	-95.2	20.5	0	0	0	113.9	R119 R120	D116-R119 IonicContact OD1-CZ 3.58Å; D116-R119 IonicContact OD1-NE 3.69Å; D116-R119 IonicContact OD1-NH2 2.68Å; D116-R119 PolarHBondContact OD1-NH2 2.87Å; D116-R120 VanDerWaalsContact O-CB 3.31Å; D116-R120 WeakPolarHBondContact O-CB 3.38Å; D116-R120 VanDerWaalsContact O-CG 3.26Å; D116-R120 WeakPolarHBondContact O-CG 3.3Å; D116-R120 PolarHBondContact O-N 2.81Å; D116-R120 VanDerWaalsContact O-N 3.12Å; D116-R120 PolarHBondContact O-NE 2.95Å
117	E	83.3	Confident	81.4	Confident	81 Å²	81	111.2 Å²	111.2	38%	0.379	56%	0.557	S	S	.	*	H	α-helix	trans	-73.2	-43.8	175.2	-161.2	62.4	-126.2	0	0	111	I111 S115 R119 R120 Q121	I111-E117 HydrophobicContact CD1-CG 3.97Å; I111-E117 HydrophobicContact CG2-CB 3.99Å; I111-E117 HydrophobicContact CG2-CG 4.43Å; S115-E117 PolarHBondContact O-N 2.87Å; E117-R119 PolarHBondContact O-N 3Å; E117-R120 PolarHBondContact O-N 2.81Å; E117-R120 IonicContact OE1-CZ 3.17Å; E117-R120 IonicContact OE1-NH1 2.77Å; E117-R120 PolarHBondContact OE1-NH1 3.03Å; E117-R120 IonicContact OE2-CZ 3.66Å; E117-R120 IonicContact OE2-NH1 2.71Å; E117-R120 PolarHBondContact OE2-NH1 3.11Å; E117-R120 IonicContact OE2-NH2 3.88Å; E117-R120 PolarHBondContact OE2-NH2 3.44Å; E117-Q121 WeakPolarHBondContact O-CG 3.42Å; E117-Q121 PolarHBondContact O-N 3.17Å
118	G	84.6	Confident	80.4	Confident	10 Å²	10	109 Å²	109	10%	0.103	54%	0.544	C	S	.	.	H	α-helix	trans	-60.7	-44.5	176.4	0	0	0	0	0	112.7	S115 Q121 H122	S115-G118 PolarHBondContact O-N 3.09Å; S115-G118 VanDerWaalsContact O-N 3.13Å; S115-G118 PolarHBondContact OG-N 3.18Å; S115-G118 VanDerWaalsContact OG-N 3.12Å; G118-Q121 PolarHBondContact O-N 3.45Å; G118-H122 PolarHBondContact O-N 3.06Å
119	R	82.6	Confident	79.5	Confident	150 Å²	150	109 Å²	109	57%	0.566	54%	0.537	S	S	*	.	H	α-helix	trans	-64.3	-39.7	175.2	-65.8	-169.1	-65.8	-174	0.3	112.4	S115 D116 E117 Q121 Y123	S115-R119 WeakPolarHBondContact O-CG 3.39Å; S115-R119 PolarHBondContact O-N 3.15Å; D116-R119 IonicContact OD1-CZ 3.58Å; D116-R119 IonicContact OD1-NE 3.69Å; D116-R119 IonicContact OD1-NH2 2.68Å; D116-R119 PolarHBondContact OD1-NH2 2.87Å; E117-R119 PolarHBondContact O-N 3Å; R119-Q121 VanDerWaalsContact C-N 3.34Å; R119-Y123 WeakPolarHBondContact O-CB 3.1Å; R119-Y123 PolarHBondContact O-N 3.23Å; R119-Y123 VanDerWaalsContact O-N 3.17Å
120	R	84.1	Confident	78.3	Confident	132 Å²	132	107.7 Å²	107.7	50%	0.498	53%	0.534	S	S	.	.	H	α-helix	trans	-69.8	-27.3	175.9	-77.8	-177.1	-75.2	101.3	-1.3	113.4	D116 E117 R124	D116-R120 VanDerWaalsContact O-CB 3.31Å; D116-R120 WeakPolarHBondContact O-CB 3.38Å; D116-R120 VanDerWaalsContact O-CG 3.26Å; D116-R120 WeakPolarHBondContact O-CG 3.3Å; D116-R120 PolarHBondContact O-N 2.81Å; D116-R120 VanDerWaalsContact O-N 3.12Å; D116-R120 PolarHBondContact O-NE 2.95Å; E117-R120 PolarHBondContact O-N 2.81Å; E117-R120 IonicContact OE1-CZ 3.17Å; E117-R120 IonicContact OE1-NH1 2.77Å; E117-R120 PolarHBondContact OE1-NH1 3.03Å; E117-R120 IonicContact OE2-CZ 3.66Å; E117-R120 IonicContact OE2-NH1 2.71Å; E117-R120 PolarHBondContact OE2-NH1 3.11Å; E117-R120 IonicContact OE2-NH2 3.88Å; E117-R120 PolarHBondContact OE2-NH2 3.44Å; R120-R124 WeakPolarHBondContact O-CB 3.48Å
121	Q	81.8	Confident	77.1	Confident	86 Å²	86	103.4 Å²	103.4	40%	0.402	52%	0.519	S	S	.	.	H	α-helix	trans	-76.1	-47.8	171.2	-71.3	178.7	10.2	0	0	111.6	E117 G118 R119 Y123 R124 D125	E117-Q121 WeakPolarHBondContact O-CG 3.42Å; E117-Q121 PolarHBondContact O-N 3.17Å; G118-Q121 PolarHBondContact O-N 3.45Å; R119-Q121 VanDerWaalsContact C-N 3.34Å; Q121-Y123 VanDerWaalsContact C-N 3.34Å; Q121-Y123 PolarHBondContact O-N 3.06Å; Q121-R124 WeakPolarHBondContact O-CA 3.39Å; Q121-R124 VanDerWaalsContact O-CB 3.3Å; Q121-R124 WeakPolarHBondContact O-CB 3.3Å; Q121-R124 PolarHBondContact O-N 2.98Å; Q121-D125 PolarHBondContact O-N 3.28Å
122	H	78.9	Confident	75.9	Confident	104 Å²	104	108.9 Å²	108.9	48%	0.481	54%	0.536	S	S	.	.	H	α-helix	trans	-55	-47.2	179	-163.7	-75.9	0	0	0	112.7	G118 R124 D125 E126	G118-H122 PolarHBondContact O-N 3.06Å; H122-R124 PolarHBondContact O-N 3.01Å; H122-D125 PolarHBondContact O-N 3.13Å; H122-E126 IonicContact CE1-OE1 3.15Å; H122-E126 PolarHBondContact CE1-OE1 2.99Å; H122-E126 IonicContact ND1-OE1 3.27Å; H122-E126 PolarHBondContact ND1-OE1 3.03Å; H122-E126 IonicContact ND1-OE2 2.83Å; H122-E126 WeakPolarHBondContact O-CG 3.41Å; H122-E126 PolarHBondContact O-N 2.8Å
123	Y	76.9	Confident	74.2	Confident	152 Å²	152	113.6 Å²	113.6	60%	0.596	55%	0.55	S	S	*	*	H	α-helix	trans	-63.4	-27.3	176.7	-176.6	-105.7	0	0	0	113.3	R119 Q121 L127	R119-Y123 WeakPolarHBondContact O-CB 3.1Å; R119-Y123 PolarHBondContact O-N 3.23Å; R119-Y123 VanDerWaalsContact O-N 3.17Å; Q121-Y123 VanDerWaalsContact C-N 3.34Å; Q121-Y123 PolarHBondContact O-N 3.06Å; Y123-L127 HydrophobicContact CD1-CD1 4.09Å; Y123-L127 HydrophobicContact CE1-CD1 3.7Å; Y123-L127 WeakPolarHBondContact O-CD1 3.35Å; Y123-L127 WeakPolarHBondContact O-CG 3.44Å; Y123-L127 PolarHBondContact O-N 3.41Å
124	R	79.5	Confident	72.8	Confident	186 Å²	186	109.3 Å²	109.3	70%	0.702	55%	0.553	S	S	*	*	H	α-helix	trans	-77.9	-37.8	177	-168.1	177.1	-171.9	156.8	0.4	111.6	R120 Q121 H122 L127 V128	R120-R124 WeakPolarHBondContact O-CB 3.48Å; Q121-R124 WeakPolarHBondContact O-CA 3.39Å; Q121-R124 VanDerWaalsContact O-CB 3.3Å; Q121-R124 WeakPolarHBondContact O-CB 3.3Å; Q121-R124 PolarHBondContact O-N 2.98Å; H122-R124 PolarHBondContact O-N 3.01Å; R124-L127 PolarHBondContact O-N 3.39Å; R124-V128 WeakPolarHBondContact O-CG2 3.4Å; R124-V128 PolarHBondContact O-N 3.43Å
125	D	77.3	Confident	71.4	Confident	108 Å²	108	107.1 Å²	107.1	58%	0.578	55%	0.549	S	S	*	.	H	α-helix	trans	-71.7	-39.3	178.3	-66	-18.5	0	0	0	111.5	Q121 H122 L127 V128 A129	Q121-D125 PolarHBondContact O-N 3.28Å; H122-D125 PolarHBondContact O-N 3.13Å; D125-L127 VanDerWaalsContact C-N 3.29Å; D125-L127 PolarHBondContact O-N 3.26Å; D125-V128 PolarHBondContact O-N 3.23Å; D125-A129 PolarHBondContact O-N 2.61Å
126	E	71.1	Confident	69.3	Low	100 Å²	100	115 Å²	115	47%	0.467	58%	0.582	S	S	.	*	H	α-helix	trans	-56.3	-42.3	171.5	-74.5	174	152.2	0	0	111.9	H122 V128 A129	H122-E126 IonicContact CE1-OE1 3.15Å; H122-E126 PolarHBondContact CE1-OE1 2.99Å; H122-E126 IonicContact ND1-OE1 3.27Å; H122-E126 PolarHBondContact ND1-OE1 3.03Å; H122-E126 IonicContact ND1-OE2 2.83Å; H122-E126 WeakPolarHBondContact O-CG 3.41Å; H122-E126 PolarHBondContact O-N 2.8Å; E126-V128 VanDerWaalsContact C-N 3.29Å; E126-V128 PolarHBondContact O-N 2.91Å; E126-A129 PolarHBondContact O-N 3.15Å
127	L	71.7	Confident	66.9	Low	111 Å²	111	119.7 Å²	119.7	58%	0.581	60%	0.601	S	S	*	*	H	α-helix	trans	-67.5	-24.4	176.3	-77.6	169.1	0	0	0	113.9	Y123 R124 D125	Y123-L127 HydrophobicContact CD1-CD1 4.09Å; Y123-L127 HydrophobicContact CE1-CD1 3.7Å; Y123-L127 WeakPolarHBondContact O-CD1 3.35Å; Y123-L127 WeakPolarHBondContact O-CG 3.44Å; Y123-L127 PolarHBondContact O-N 3.41Å; R124-L127 PolarHBondContact O-N 3.39Å; D125-L127 VanDerWaalsContact C-N 3.29Å; D125-L127 PolarHBondContact O-N 3.26Å
128	V	68.1	Low	64.6	Low	75 Å²	75	121 Å²	121	46%	0.455	62%	0.618	S	S	.	*	H	α-helix	trans	-86.2	-37	176.7	172.9	0	0	0	0	111.4	R124 D125 E126 V130 S131 Y132	R124-V128 WeakPolarHBondContact O-CG2 3.4Å; R124-V128 PolarHBondContact O-N 3.43Å; D125-V128 PolarHBondContact O-N 3.23Å; E126-V128 VanDerWaalsContact C-N 3.29Å; E126-V128 PolarHBondContact O-N 2.91Å; V128-V130 VanDerWaalsContact C-N 3.3Å; V128-V130 PolarHBondContact O-N 2.92Å; V128-S131 PolarHBondContact O-N 3.25Å; V128-S131 PolarHBondContact O-OG 2.61Å; V128-Y132 HydrophobicContact CG1-CD2 4.36Å; V128-Y132 HydrophobicContact CG1-CE2 4.28Å
129	A	65.4	Low	62	Low	66 Å²	66	127.3 Å²	127.3	55%	0.545	66%	0.655	S	S	.	*	H	α-helix	trans	-58.9	-40.6	-179.7	0	0	0	0	0	112.6	D125 E126 S131	D125-A129 PolarHBondContact O-N 2.61Å; E126-A129 PolarHBondContact O-N 3.15Å; A129-S131 VanDerWaalsContact C-N 3.27Å; A129-S131 PolarHBondContact O-N 2.84Å
130	V	58.8	Low	59.5	Low	124 Å²	124	129.2 Å²	129.2	75%	0.752	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.2	-25.4	-178.3	175.6	0	0	0	0	113.1	V128	V128-V130 VanDerWaalsContact C-N 3.3Å; V128-V130 PolarHBondContact O-N 2.92Å
131	S	60.2	Low	57.1	Low	82 Å²	82	129 Å²	129	57%	0.573	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83	-14.5	-174.8	63.2	0	0	0	0	115.2	V128 A129	V128-S131 PolarHBondContact O-N 3.25Å; V128-S131 PolarHBondContact O-OG 2.61Å; A129-S131 VanDerWaalsContact C-N 3.27Å; A129-S131 PolarHBondContact O-N 2.84Å
132	Y	57.6	Low	54.9	Low	188 Å²	188	131.9 Å²	131.9	74%	0.737	70%	0.697	S	S	*	*	S	Bend	trans	-91.4	-9.3	-166.6	-100.6	-85	0	0	0	116	V128	V128-Y132 HydrophobicContact CG1-CD2 4.36Å; V128-Y132 HydrophobicContact CG1-CE2 4.28Å
133	Q	50.4	Low	52.5	Low	187 Å²	187	130.6 Å²	130.6	87%	0.874	70%	0.7	S	S	*	*	S	Bend	trans	-95.2	3.3	-165.5	-124	165.6	-7	0	0	115.4
134	G	48.6	Very low	50.6	Low	76 Å²	76	131.6 Å²	131.6	78%	0.784	71%	0.71	S	S	*	*	S	Bend	trans	-109.9	4.4	-168.2	0	0	0	0	0	117.9
135	S	49	Very low	48.4	Very low	97 Å²	97	129.5 Å²	129.5	68%	0.678	72%	0.718	S	S	*	*			trans	-145.8	80.4	-161.8	60.6	0	0	0	0	115.7
136	Q	40.7	Very low	46.1	Very low	202 Å²	202	127.9 Å²	127.9	94%	0.944	73%	0.727	S	S	*	*			trans	-140.5	-6.3	170	-87.9	-160.6	-23.3	0	0	117.9	S138	Q136-S138 PolarHBondContact O-N 2.7Å
137	E	33.6	Very low	44.2	Very low	196 Å²	196	130.4 Å²	130.4	92%	0.916	74%	0.744	S	S	*	*			trans	-96.4	87.8	178.9	-69	-166.1	128.9	0	0	113.4
138	S	35.1	Very low	42.3	Very low	108 Å²	108	131.9 Å²	131.9	76%	0.755	75%	0.751	S	S	*	*			trans	-171.9	115.9	149	13.9	0	0	0	0	116.4	Q136	Q136-S138 PolarHBondContact O-N 2.7Å
139	V	30.3	Very low	40.7	Very low	144 Å²	144	135.5 Å²	135.5	87%	0.873	76%	0.763	S	S	*	*			trans	70.3	145.6	136.8	-174.8	0	0	0	0	120.8
140	K	31.3	Very low	39.2	Very low	189 Å²	189	140.7 Å²	140.7	82%	0.822	78%	0.776	S	S	*	*			trans	-126.7	-171.9	177	-66.5	-179.5	175	179.8	0	110.5
141	V	32.3	Very low	37.9	Very low	129 Å²	129	141.9 Å²	141.9	78%	0.782	78%	0.778	S	S	*	*			trans	99.4	118.8	169.1	-177.7	0	0	0	0	112.9
142	I	35.5	Very low	36.5	Very low	146 Å²	146	146.6 Å²	146.6	75%	0.749	79%	0.791	S	S	*	*			cis	98	128.5	34.6	-70.2	165.4	0	0	0	111.8
143	S	29.1	Very low	35.2	Very low	76 Å²	76	146.2 Å²	146.2	53%	0.531	80%	0.796	S	S	.	*			cis	-175.2	153.4	-7.5	52.3	0	0	0	0	113.7
144	E	36.6	Very low	34.9	Very low	174 Å²	174	141.7 Å²	141.7	81%	0.813	78%	0.783	S	S	*	*			trans	61.1	163	150.8	-72.1	136	-127.8	0	0	119.2
145	T	34	Very low	34	Very low	141 Å²	141	146.1 Å²	146.1	87%	0.865	78%	0.781	S	S	*	*			cis	-163.2	164.8	-13.4	21.2	0	0	0	0	110.5
146	G	29.8	Very low	32.9	Very low	74 Å²	74	148.3 Å²	148.3	76%	0.763	78%	0.78	S	S	*	*			trans	176.7	161.7	170.9	0	0	0	0	0	115.2
147	N	30.8	Very low	32.4	Very low	154 Å²	154	146.9 Å²	146.9	82%	0.824	78%	0.778	S	S	*	*			trans	-149.3	-177.7	-167.8	-136.1	36.1	0	0	0	113.8
148	L	31.5	Very low	32	Very low	141 Å²	141	145.8 Å²	145.8	74%	0.738	77%	0.773	S	S	*	*			trans	85.3	159.2	169.9	-52.3	176.4	0	0	0	118
149	E	34.9	Very low	31.7	Very low	151 Å²	151	147.7 Å²	147.7	71%	0.706	78%	0.78	S	S	*	*			cis	-173.4	165.4	-43.6	-131.8	158.2	-144.4	0	0	110
150	E	32.3	Very low	31.5	Very low	176 Å²	176	149 Å²	149	82%	0.822	78%	0.777	S	S	*	*			trans	58.9	162.8	160.5	-69	-178.7	171.3	0	0	121.4
151	D	32.2	Very low	31.8	Very low	148 Å²	148	145.7 Å²	145.7	79%	0.791	78%	0.775	S	S	*	*			cis	-166.6	-174.7	-40.8	-150.9	-15.4	0	0	0	111.4
152	E	30.5	Very low	31.6	Very low	182 Å²	182	143.1 Å²	143.1	85%	0.85	77%	0.774	S	S	*	*			trans	83.2	151.9	161.3	-65.3	-144.1	124.1	0	0	124.2
153	E	30.4	Very low	31.2	Very low	180 Å²	180	141.4 Å²	141.4	84%	0.841	78%	0.775	S	S	*	*			trans	-107.3	-136.2	176.5	-58.5	-167.7	127.1	0	0	110.7
154	P	44.1	Very low	31.1	Very low	91 Å²	91	146 Å²	146	59%	0.591	79%	0.788	S	S	*	*			cis	-139.6	173.9	-26	32.4	-10.5	0	0	0	117.9
155	K	29.9	Very low	30.7	Very low	170 Å²	170	143.7 Å²	143.7	74%	0.739	79%	0.786	S	S	*	*			trans	66	163.9	149	-77.2	160.8	173.5	-85.4	0	118
156	E	26.4	Very low	30.3	Very low	143 Å²	143	144.7 Å²	144.7	67%	0.668	79%	0.786	S	S	*	*			cis	-159.3	157.8	-14.3	-127	160.9	-144.9	0	0	109.1
157	L	29.3	Very low	30.3	Very low	171 Å²	171	147.7 Å²	147.7	90%	0.895	79%	0.789	S	S	*	*			trans	156.5	161.8	135.6	-87.6	161.3	0	0	0	114.9
158	E	26.1	Very low	30.4	Very low	173 Å²	173	145.9 Å²	145.9	81%	0.808	79%	0.786	S	S	*	*			trans	-101.9	150	-168.5	-48.6	174.1	134.1	0	0	113.4
159	T	28.2	Very low	30.3	Very low	149 Å²	149	143.6 Å²	143.6	91%	0.914	79%	0.787	S	S	*	*				-173.7	133.6	128.8	13.2	0	0	0	0	113.7
160	E	26.3	Very low	30.1	Very low	172 Å²	172	141.5 Å²	141.5	80%	0.804	80%	0.796	S	S	*	*			trans	-94.4	173.5	158.6	-88.2	-109.2	-170.2	0	0	109.2
161	P	38	Very low	30	Very low	119 Å²	119	137 Å²	137	77%	0.773	80%	0.797	S	S	*	*			cis	-130.6	175.7	2.5	41.1	-25.7	0	0	0	115.3
162	G	26.6	Very low	29.8	Very low	74 Å²	74	135 Å²	135	76%	0.763	80%	0.801	S	S	*	*			trans	179.4	133.5	165.7	0	0	0	0	0	114.9
163	S	27.5	Very low	29.5	Very low	111 Å²	111	131.7 Å²	131.7	78%	0.776	80%	0.804	S	S	*	*			trans	-104.8	136.6	-168.3	59.8	0	0	0	0	116.4
164	Q	27.9	Very low	29.6	Very low	173 Å²	173	130.5 Å²	130.5	81%	0.808	80%	0.799	S	S	*	*			trans	69.4	102.7	147.1	-76.6	-176.9	-21.2	0	0	121
165	T	27.2	Very low	29.1	Very low	125 Å²	125	135.1 Å²	135.1	77%	0.767	81%	0.809	S	S	*	*				54.2	123.6	125.8	57.4	0	0	0	0	121.5
166	D	25.4	Very low	29.2	Very low	162 Å²	162	133.2 Å²	133.2	87%	0.866	81%	0.812	S	S	*	*			trans	-147.7	156.9	136.9	-126.3	-27.1	0	0	0	110.3
167	V	30.2	Very low	29.3	Very low	136 Å²	136	131.8 Å²	131.8	82%	0.824	81%	0.813	S	S	*	*			trans	-129.3	124.8	180	-179.4	0	0	0	0	110.5
168	P	33.5	Very low	29.7	Very low	116 Å²	116	131.7 Å²	131.7	75%	0.753	81%	0.808	S	S	*	*			trans	-106.7	167.3	-163.5	40.4	-38.1	0	0	0	116.8
169	A	28.3	Very low	30.1	Very low	93 Å²	93	132.3 Å²	132.3	77%	0.769	81%	0.811	S	S	*	*			trans	71.3	106.7	144.3	0	0	0	0	0	121.5
170	A	32.1	Very low	30.4	Very low	108 Å²	108	133.5 Å²	133.5	89%	0.893	81%	0.806	S	S	*	*				34.2	141.9	114.9	0	0	0	0	0	122.1
171	G	29.4	Very low	30.7	Very low	81 Å²	81	132.7 Å²	132.7	84%	0.835	81%	0.807	S	S	*	*			trans	-168.1	131.4	160.4	0	0	0	0	0	113.7
172	A	27.7	Very low	30.7	Very low	107 Å²	107	135.3 Å²	135.3	88%	0.884	81%	0.811	S	S	*	*			trans	-155.2	125.5	168.6	0	0	0	0	0	110.6
173	A	25.4	Very low	31	Very low	111 Å²	111	138.3 Å²	138.3	92%	0.917	81%	0.814	S	S	*	*			trans	-156.8	156.1	170.7	0	0	0	0	0	109.8
174	E	32.1	Very low	31.7	Very low	155 Å²	155	139 Å²	139	72%	0.724	82%	0.816	S	S	*	*			trans	-150.8	145.8	-163.4	179.9	-152.6	-115.4	0	0	109.4
175	K	32.8	Very low	32.2	Very low	188 Å²	188	140.1 Å²	140.1	82%	0.817	82%	0.818	S	S	*	*			trans	177.2	177.9	132	-96.5	164.4	-175	178.8	0	116.6
176	V	31.8	Very low	32.6	Very low	130 Å²	130	143 Å²	143	79%	0.788	82%	0.823	S	S	*	*			trans	-135	169.3	-153	-178.6	0	0	0	0	110.6
177	T	30.1	Very low	33.6	Very low	113 Å²	113	141 Å²	141	69%	0.693	82%	0.819	S	S	*	*			trans	-123.6	167.8	-172.8	54.4	0	0	0	0	111.4
178	E	36.4	Very low	34	Very low	169 Å²	169	143.5 Å²	143.5	79%	0.79	82%	0.819	S	S	*	*			cis	-157.8	-153.6	-2.2	-126.3	166.2	116.1	0	0	110.7
179	E	36.1	Very low	34.5	Very low	187 Å²	187	146.6 Å²	146.6	87%	0.874	82%	0.823	S	S	*	*			trans	79.1	118.3	162.6	-54.2	-158.8	141.4	0	0	121.4
180	E	33.7	Very low	35.3	Very low	174 Å²	174	153.6 Å²	153.6	81%	0.813	83%	0.83	S	S	*	*				-172.8	125.5	114	-106	-152.6	141	0	0	114.9
181	L	33.5	Very low	35.8	Very low	155 Å²	155	157.3 Å²	157.3	81%	0.812	83%	0.826	S	S	*	*			trans	50.8	171.8	140.2	-80.5	161.1	0	0	0	124.9
182	M	37.1	Very low	36.7	Very low	174 Å²	174	161.5 Å²	161.5	86%	0.857	83%	0.828	S	S	*	*			trans	-120.3	152.6	-157.6	-55.6	-165.2	-153	0	0	116.6
183	T	32.2	Very low	37.8	Very low	136 Å²	136	161.9 Å²	161.9	83%	0.834	82%	0.819	S	S	*	*			trans	-151.8	150.1	143.9	34.3	0	0	0	0	111.3
184	P	43	Very low	38.9	Very low	126 Å²	126	161.4 Å²	161.4	82%	0.818	80%	0.802	S	S	*	*			trans	-87.9	146.1	-176.7	34.1	-34.8	0	0	0	114
185	K	37.5	Very low	40.2	Very low	197 Å²	197	161.1 Å²	161.1	86%	0.857	80%	0.8	S	S	*	*			trans	-132.4	134.8	166.3	-77.8	-176	174.3	177.5	0	110.7
186	Q	35.4	Very low	41.4	Very low	186 Å²	186	161.1 Å²	161.1	87%	0.869	80%	0.8	S	S	*	*	S	Bend	trans	-74.5	173	172	-64.3	-166.3	-21.6	0	0	111.9	K188	Q186-K188 PolarHBondContact O-N 3.19Å
187	P	47.4	Very low	42.9	Very low	120 Å²	120	161.3 Å²	161.3	78%	0.779	80%	0.797	S	S	*	*	P	Polyproline II helix		-68.4	124.4	-120	35.9	-24.4	0	0	0	112	E189	P187-E189 PolarHBondContact O-N 2.84Å
188	K	38.8	Very low	44.7	Very low	187 Å²	187	165 Å²	165	81%	0.813	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-72.7	119.5	155.3	-77.1	-174.3	176.6	179.7	0	107.5	Q186 R190	Q186-K188 PolarHBondContact O-N 3.19Å; K188-R190 PolarHBondContact O-N 2.82Å; K188-R190 VanDerWaalsContact O-N 3.1Å
189	E	43	Very low	46.2	Very low	182 Å²	182	161.5 Å²	161.5	85%	0.85	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-47.9	119.9	163.2	-63.5	177.4	137.9	0	0	108.5	P187 K191	P187-E189 PolarHBondContact O-N 2.84Å; E189-K191 PolarHBondContact O-N 3.48Å
190	R	46.9	Very low	48.1	Very low	240 Å²	240	162.2 Å²	162.2	91%	0.906	80%	0.801	S	S	*	*			trans	-69.4	92.4	168.4	-89.1	-176.4	165.1	174.6	-3.9	107	K188 L192	K188-R190 PolarHBondContact O-N 2.82Å; K188-R190 VanDerWaalsContact O-N 3.1Å; R190-L192 PolarHBondContact O-N 3.45Å; R190-L192 VanDerWaalsContact O-N 3.08Å
191	K	41.2	Very low	50.2	Low	185 Å²	185	164.7 Å²	164.7	80%	0.804	80%	0.804	S	S	*	*			trans	-44.6	120.7	161.6	-72.3	-171	175.2	-171	0	107.3	E189 T193	E189-K191 PolarHBondContact O-N 3.48Å; K191-T193 VanDerWaalsContact C-N 3.26Å; K191-T193 PolarHBondContact O-N 2.95Å
192	L	47.7	Very low	52.4	Low	170 Å²	170	162.6 Å²	162.6	89%	0.89	81%	0.808	S	S	*	*			trans	-62.8	92.8	173	-80	153.3	0	0	0	107.5	R190 N194	R190-L192 PolarHBondContact O-N 3.45Å; R190-L192 VanDerWaalsContact O-N 3.08Å; L192-N194 PolarHBondContact O-N 3.12Å
193	T	50.8	Low	54.5	Low	114 Å²	114	160.2 Å²	160.2	70%	0.699	81%	0.809	S	S	*	*			trans	-61.5	117.4	174.9	47.9	0	0	0	0	107.4	K191 Q195	K191-T193 VanDerWaalsContact C-N 3.26Å; K191-T193 PolarHBondContact O-N 2.95Å; T193-Q195 WeakPolarHBondContact O-CG 3.34Å; T193-Q195 PolarHBondContact O-N 3.38Å
194	N	50.5	Low	56.8	Low	102 Å²	102	162.5 Å²	162.5	55%	0.545	81%	0.81	S	S	.	*			trans	-49.2	109.1	-174.8	176.6	15	0	0	0	111.3	L192 F196 N197	L192-N194 PolarHBondContact O-N 3.12Å; N194-F196 VanDerWaalsContact C-N 3.27Å; N194-F196 PolarHBondContact O-N 2.95Å; N194-F196 WeakPolarHBondContact OD1-CB 3.39Å; N194-F196 WeakPolarHBondContact OD1-CD2 3.47Å; N194-F196 PolarHBondContact OD1-N 3.02Å; N194-N197 PolarHBondContact ND2-OD1 2.81Å
195	Q	57.9	Low	58.7	Low	149 Å²	149	162 Å²	162	70%	0.696	80%	0.804	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.1	-1.6	-177.9	-61.7	-170.2	1.8	0	0	113.1	T193 F198	T193-Q195 WeakPolarHBondContact O-CG 3.34Å; T193-Q195 PolarHBondContact O-N 3.38Å; Q195-F198 WeakPolarHBondContact O-CE2 3.45Å
196	F	58.4	Low	60.7	Low	187 Å²	187	163.2 Å²	163.2	82%	0.82	81%	0.805	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.2	-11.8	-176.5	-66.5	-84.8	0	0	0	114.3	N194 F198	N194-F196 VanDerWaalsContact C-N 3.27Å; N194-F196 PolarHBondContact O-N 2.95Å; N194-F196 WeakPolarHBondContact OD1-CB 3.39Å; N194-F196 WeakPolarHBondContact OD1-CD2 3.47Å; N194-F196 PolarHBondContact OD1-N 3.02Å; F196-F198 PolarHBondContact O-N 3.49Å
197	N	63.6	Low	62.9	Low	135 Å²	135	161.5 Å²	161.5	72%	0.722	80%	0.802	S	S	*	*			trans	-95.3	65.8	-179.6	-74.1	38	0	0	0	112.2	N194	N194-N197 PolarHBondContact ND2-OD1 2.81Å
198	F	67.1	Low	64.7	Low	189 Å²	189	162.6 Å²	162.6	83%	0.829	80%	0.801	S	S	*	*			trans	-73.1	144.7	158.5	-66.4	-82.5	0	0	0	109.4	Q195 F196	Q195-F198 WeakPolarHBondContact O-CE2 3.45Å; F196-F198 PolarHBondContact O-N 3.49Å
199	S	69.4	Low	66.8	Low	96 Å²	96	159 Å²	159	67%	0.671	80%	0.797	S	S	*	*			trans	-117.9	124.5	169.3	52.8	0	0	0	0	108.8
200	E	74.8	Confident	68.8	Low	202 Å²	202	156.4 Å²	156.4	94%	0.944	79%	0.794	S	S	*	*			trans	-66.8	137.4	176.2	-64.1	-167.4	145.6	0	0	110.1
201	R	78.2	Confident	70.5	Confident	227 Å²	227	155 Å²	155	86%	0.857	79%	0.788	S	S	*	*			trans	-133.2	102.4	172.8	-71.2	-169	175.2	-150.8	-2.1	108.9
202	A	79.2	Confident	72.5	Confident	110 Å²	110	153.3 Å²	153.3	91%	0.909	79%	0.788	S	S	*	*			trans	-75	140.9	170.8	0	0	0	0	0	110.7
203	S	81.3	Confident	74.2	Confident	124 Å²	124	156.3 Å²	156.3	87%	0.867	79%	0.788	S	S	*	*			trans	-137.6	136.2	163.7	59.4	0	0	0	0	108.3
204	Q	80.2	Confident	75.6	Confident	184 Å²	184	160.4 Å²	160.4	86%	0.86	80%	0.799	S	S	*	*			trans	-129	128.7	-174	-170.7	176.8	14.1	0	0	110.1
205	T	83.9	Confident	77	Confident	115 Å²	115	161.2 Å²	161.2	71%	0.706	81%	0.811	S	S	*	*			trans	-80.5	136	168.4	46.5	0	0	0	0	110.3	N207	T205-N207 PolarHBondContact O-N 3.4Å
206	Y	80	Confident	77.9	Confident	223 Å²	223	162.2 Å²	162.2	88%	0.875	82%	0.816	S	S	*	*			trans	-61.6	128.3	174.5	-64.1	-77.2	0	0	0	111.6
207	N	81.6	Confident	79	Confident	150 Å²	150	159.2 Å²	159.2	80%	0.802	81%	0.813	S	S	*	*			trans	-105.3	118.2	169.9	-82.4	-17.6	0	0	0	109.4	T205	T205-N207 PolarHBondContact O-N 3.4Å
208	N	83.6	Confident	79.8	Confident	143 Å²	143	160.2 Å²	160.2	77%	0.765	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-84.7	137.9	178.1	-68.1	0.5	0	0	0	110.7
209	P	83.7	Confident	80.7	Confident	112 Å²	112	156.7 Å²	156.7	73%	0.727	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-72.9	133.7	178.3	29.5	-34.4	0	0	0	111.7
210	V	85.1	Confident	81.6	Confident	128 Å²	128	157.6 Å²	157.6	78%	0.776	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-74.2	147	173.9	-174.9	0	0	0	0	110.2
211	R	83.1	Confident	82.2	Confident	210 Å²	210	154.4 Å²	154.4	79%	0.792	81%	0.81	S	S	*	*			trans	-146.5	120.7	175.4	-69.6	-175.5	175.1	179.6	-2.8	110.6
212	D	83.6	Confident	82.7	Confident	149 Å²	149	154.7 Å²	154.7	80%	0.797	81%	0.811	S	S	*	*			trans	-90	151.2	176.7	-54.8	-50.8	0	0	0	111.8
213	R	81.8	Confident	83.2	Confident	233 Å²	233	155.9 Å²	155.9	88%	0.879	81%	0.807	S	S	*	*			trans	-149.6	129.5	177	-74.2	-174.1	169.9	179.6	-5.3	110.3
214	E	80.6	Confident	83.6	Confident	200 Å²	200	157.7 Å²	157.7	94%	0.935	81%	0.807	S	S	*	*			trans	-114.5	156.4	172.2	-63.8	-177.7	176.7	0	0	110.3
215	C	79.5	Confident	84.1	Confident	120 Å²	120	157.8 Å²	157.8	81%	0.811	81%	0.805	S	S	*	*			trans	-150.7	123.8	176.3	-172	0	0	0	0	110.1
216	Q	76.6	Confident	84.5	Confident	170 Å²	170	157.8 Å²	157.8	79%	0.794	81%	0.809	S	S	*	*			trans	-122.2	113.8	174.3	177.8	175.8	-33.4	0	0	108.7
217	T	82.3	Confident	85	Confident	124 Å²	124	150.7 Å²	150.7	76%	0.761	80%	0.797	S	S	*	*			trans	-96.6	108	-178	-44	0	0	0	0	110.2
218	E	79.9	Confident	85.5	Confident	156 Å²	156	148 Å²	148	73%	0.729	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-74.4	135.3	174.3	-62	-161.3	148.1	0	0	111.4
219	P	86.3	Confident	85.9	Confident	114 Å²	114	145.5 Å²	145.5	74%	0.74	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-73.6	147.2	175.5	30.9	-34.4	0	0	0	111
220	P	88.3	Confident	86.4	Confident	115 Å²	115	143.3 Å²	143.3	75%	0.747	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-61.4	144	-178.7	25.1	-34.4	0	0	0	112.1	R222	P220-R222 PolarHBondContact O-N 3.4Å
221	P	88.1	Confident	86.9	Confident	135 Å²	135	144.4 Å²	144.4	88%	0.877	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-65.1	131.1	-176.4	26.5	-34.5	0	0	0	111.1
222	R	88.8	Confident	87.4	Confident	234 Å²	234	141.9 Å²	141.9	88%	0.883	75%	0.754	S	S	*	*			trans	-117.9	133.8	179.5	56.3	179	175	171.9	-2.9	110.8	P220	P220-R222 PolarHBondContact O-N 3.4Å
223	T	89.7	Confident	87.9	Confident	134 Å²	134	137.3 Å²	137.3	82%	0.822	73%	0.729	S	S	*	*			trans	-124.2	150.1	174	53.3	0	0	0	0	109.6
224	N	89.1	Confident	88.5	Confident	162 Å²	162	129.8 Å²	129.8	87%	0.866	71%	0.705	S	S	*	*			trans	-99.9	129.9	174.7	-64.9	-9.9	0	0	0	108.5
225	F	90.9	Very high	89.2	Confident	186 Å²	186	127.4 Å²	127.4	82%	0.816	69%	0.688	S	S	*	*			trans	-118.6	141	172	176.4	-99.3	0	0	0	109.8	A227	F225-A227 HydrophobicContact CE1-CB 3.86Å; F225-A227 HydrophobicContact CE2-CB 4.44Å; F225-A227 HydrophobicContact CZ-CB 3.58Å
226	S	92.1	Very high	90	Very high	115 Å²	115	125.9 Å²	125.9	80%	0.804	67%	0.672	S	S	*	*			trans	-150.4	128.5	174.9	57.1	0	0	0	0	109.1
227	A	90	Very high	90.8	Very high	74 Å²	74	120.4 Å²	120.4	61%	0.612	66%	0.656	S	S	*	*			trans	-140.7	156	174.7	0	0	0	0	0	109.9	F225	F225-A227 HydrophobicContact CE1-CB 3.86Å; F225-A227 HydrophobicContact CE2-CB 4.44Å; F225-A227 HydrophobicContact CZ-CB 3.58Å
228	T	91.7	Very high	91.4	Very high	95 Å²	95	122.5 Å²	122.5	58%	0.583	65%	0.651	S	S	*	*			trans	-80.4	159.3	164.2	32.9	0	0	0	0	111	N230 E233	T228-N230 WeakPolarHBondContact CB-ND2 3.44Å; T228-E233 WeakPolarHBondContact CB-OE1 3.47Å; T228-E233 WeakPolarHBondContact CB-OE2 3.49Å; T228-E233 PolarHBondContact OG1-OE1 2.65Å
229	A	92.3	Very high	92.1	Very high	89 Å²	89	117.3 Å²	117.3	74%	0.736	63%	0.63	S	S	*	*			trans	-142.4	75.7	175.8	0	0	0	0	0	109.3	E233	A229-E233 PolarHBondContact N-OE2 3.35Å
230	N	95.1	Very high	92.5	Very high	66 Å²	66	117.2 Å²	117.2	35%	0.353	62%	0.62	S	S	.	*			trans	-94.4	158.9	179.9	-61.6	-73.1	0	0	0	111.5	T228 W232 E233 I234	T228-N230 WeakPolarHBondContact CB-ND2 3.44Å; N230-W232 HydrophobicContact CB-CG 4.25Å; N230-W232 VanDerWaalsContact CB-NE1 3.29Å; N230-W232 PolarHBondContact O-N 2.72Å; N230-W232 VanDerWaalsContact O-N 3.16Å; N230-E233 HydrophobicContact CB-CG 4.37Å; N230-E233 VanDerWaalsContact CB-OE2 3.27Å; N230-E233 WeakPolarHBondContact CB-OE2 3.37Å; N230-E233 PolarHBondContact N-OE2 3.03Å; N230-E233 PolarHBondContact ND2-OE2 3.4Å; N230-E233 PolarHBondContact O-N 3.16Å; N230-I234 WeakPolarHBondContact O-CG1 3.27Å; N230-I234 PolarHBondContact O-N 2.91Å
231	Q	94.8	Very high	92.8	Very high	151 Å²	151	115.7 Å²	115.7	71%	0.706	60%	0.603	S	S	*	*	H	α-helix	trans	-58.3	-30.8	178.7	-170.6	60.8	35.7	0	0	113.6	Y235	Q231-Y235 VanDerWaalsContact O-CB 3.3Å; Q231-Y235 WeakPolarHBondContact O-CB 3.43Å; Q231-Y235 PolarHBondContact O-N 2.76Å
232	W	95.1	Very high	93.1	Very high	157 Å²	157	113.9 Å²	113.9	60%	0.595	59%	0.585	S	S	*	*	H	α-helix	trans	-75.8	-43.6	177	59.8	-90.4	0	0	0	112.1	N230 I234 Y235 D236	N230-W232 HydrophobicContact CB-CG 4.25Å; N230-W232 VanDerWaalsContact CB-NE1 3.29Å; N230-W232 PolarHBondContact O-N 2.72Å; N230-W232 VanDerWaalsContact O-N 3.16Å; W232-I234 VanDerWaalsContact C-N 3.25Å; W232-I234 PolarHBondContact O-N 3.42Å; W232-Y235 PolarHBondContact O-N 3.29Å; W232-Y235 VanDerWaalsContact O-N 3.12Å; W232-D236 WeakPolarHBondContact O-CB 3.21Å; W232-D236 VanDerWaalsContact O-CG 3.27Å; W232-D236 PolarHBondContact O-N 3.42Å
233	E	92.3	Very high	93.4	Very high	54 Å²	54	107 Å²	107	25%	0.252	56%	0.563	S	S	.	*	H	α-helix	trans	-58.2	-39.2	173.6	-66.2	165.6	136.2	0	0	111.4	T228 A229 N230 A237	T228-E233 WeakPolarHBondContact CB-OE1 3.47Å; T228-E233 WeakPolarHBondContact CB-OE2 3.49Å; T228-E233 PolarHBondContact OG1-OE1 2.65Å; A229-E233 PolarHBondContact N-OE2 3.35Å; N230-E233 HydrophobicContact CB-CG 4.37Å; N230-E233 VanDerWaalsContact CB-OE2 3.27Å; N230-E233 WeakPolarHBondContact CB-OE2 3.37Å; N230-E233 PolarHBondContact N-OE2 3.03Å; N230-E233 PolarHBondContact ND2-OE2 3.4Å; N230-E233 PolarHBondContact O-N 3.16Å; E233-A237 WeakPolarHBondContact O-CB 3.36Å; E233-A237 PolarHBondContact O-N 3.16Å
234	I	94.3	Very high	93.5	Very high	74 Å²	74	104.8 Å²	104.8	38%	0.379	54%	0.542	S	S	.	.	H	α-helix	trans	-67.4	-46.7	174.6	-63.8	165.9	0	0	0	110.8	N230 W232 A237 Y238	N230-I234 WeakPolarHBondContact O-CG1 3.27Å; N230-I234 PolarHBondContact O-N 2.91Å; W232-I234 VanDerWaalsContact C-N 3.25Å; W232-I234 PolarHBondContact O-N 3.42Å; I234-A237 PolarHBondContact O-N 3.42Å; I234-Y238 HydrophobicContact CG2-CD2 4.03Å; I234-Y238 HydrophobicContact CG2-CE2 4.13Å; I234-Y238 VanDerWaalsContact O-CD2 3.31Å; I234-Y238 WeakPolarHBondContact O-CD2 3.41Å; I234-Y238 PolarHBondContact O-N 2.85Å
235	Y	95.9	Very high	93.6	Very high	151 Å²	151	100.6 Å²	100.6	59%	0.592	52%	0.517	S	S	*	.	H	α-helix	trans	-60.9	-49.4	179.6	178.1	-96.6	0	0	0	112	Q231 W232 A237 Y238 V239	Q231-Y235 VanDerWaalsContact O-CB 3.3Å; Q231-Y235 WeakPolarHBondContact O-CB 3.43Å; Q231-Y235 PolarHBondContact O-N 2.76Å; W232-Y235 PolarHBondContact O-N 3.29Å; W232-Y235 VanDerWaalsContact O-N 3.12Å; Y235-A237 VanDerWaalsContact C-N 3.34Å; Y235-A237 PolarHBondContact O-N 3.32Å; Y235-Y238 PolarHBondContact O-N 2.96Å; Y235-V239 HydrophobicContact CD1-CG2 4.14Å; Y235-V239 HydrophobicContact CD2-CG2 4.45Å; Y235-V239 HydrophobicContact CE1-CG2 3.73Å; Y235-V239 HydrophobicContact CE2-CG2 4.06Å; Y235-V239 HydrophobicContact CG-CG2 4.48Å; Y235-V239 WeakPolarHBondContact O-CG2 3.35Å; Y235-V239 PolarHBondContact O-N 2.94Å
236	D	95.9	Very high	93.5	Very high	87 Å²	87	97.7 Å²	97.7	47%	0.465	51%	0.506	S	S	.	.	H	α-helix	trans	-61.8	-41.9	-178.8	-66.6	-19.1	0	0	0	111.2	W232 V239 E240	W232-D236 WeakPolarHBondContact O-CB 3.21Å; W232-D236 VanDerWaalsContact O-CG 3.27Å; W232-D236 PolarHBondContact O-N 3.42Å; D236-V239 PolarHBondContact O-N 3.44Å; D236-E240 WeakPolarHBondContact O-CB 3.45Å; D236-E240 PolarHBondContact O-N 2.84Å
237	A	93.6	Very high	93.3	Very high	55 Å²	55	96.7 Å²	96.7	46%	0.455	49%	0.487	S	S	.	.	H	α-helix	trans	-63.7	-40.4	175.2	0	0	0	0	0	112.8	E233 I234 Y235 E241	E233-A237 WeakPolarHBondContact O-CB 3.36Å; E233-A237 PolarHBondContact O-N 3.16Å; I234-A237 PolarHBondContact O-N 3.42Å; Y235-A237 VanDerWaalsContact C-N 3.34Å; Y235-A237 PolarHBondContact O-N 3.32Å; A237-E241 WeakPolarHBondContact O-CB 3.4Å; A237-E241 PolarHBondContact O-N 3.42Å
238	Y	95.9	Very high	93.2	Very high	168 Å²	168	96.2 Å²	96.2	66%	0.659	48%	0.477	S	S	*	.	H	α-helix	trans	-68.6	-36.1	175.7	-93.8	-105.8	0	0	0	112.6	I234 Y235 L242	I234-Y238 HydrophobicContact CG2-CD2 4.03Å; I234-Y238 HydrophobicContact CG2-CE2 4.13Å; I234-Y238 VanDerWaalsContact O-CD2 3.31Å; I234-Y238 WeakPolarHBondContact O-CD2 3.41Å; I234-Y238 PolarHBondContact O-N 2.85Å; Y235-Y238 PolarHBondContact O-N 2.96Å; Y238-L242 WeakPolarHBondContact O-CB 3.36Å; Y238-L242 WeakPolarHBondContact O-CG 3.42Å; Y238-L242 PolarHBondContact O-N 3.43Å
239	V	95.1	Very high	93	Very high	48 Å²	48	96.6 Å²	96.6	29%	0.291	47%	0.47	S	S	.	.	H	α-helix	trans	-69	-43.5	175.1	171	0	0	0	0	111	Y235 D236 E241 L242 E243	Y235-V239 HydrophobicContact CD1-CG2 4.14Å; Y235-V239 HydrophobicContact CD2-CG2 4.45Å; Y235-V239 HydrophobicContact CE1-CG2 3.73Å; Y235-V239 HydrophobicContact CE2-CG2 4.06Å; Y235-V239 HydrophobicContact CG-CG2 4.48Å; Y235-V239 WeakPolarHBondContact O-CG2 3.35Å; Y235-V239 PolarHBondContact O-N 2.94Å; D236-V239 PolarHBondContact O-N 3.44Å; V239-E241 VanDerWaalsContact C-N 3.28Å; V239-E241 PolarHBondContact O-N 3.41Å; V239-L242 PolarHBondContact O-N 3.22Å; V239-E243 PolarHBondContact O-N 2.65Å
240	E	94.6	Very high	92.5	Very high	111 Å²	111	98.6 Å²	98.6	52%	0.519	47%	0.465	S	S	.	.	H	α-helix	trans	-62.4	-37.1	176.4	-154.3	-144.6	158.2	0	0	111.5	D236 K244	D236-E240 WeakPolarHBondContact O-CB 3.45Å; D236-E240 PolarHBondContact O-N 2.84Å; E240-K244 WeakPolarHBondContact O-CD 3.42Å; E240-K244 WeakPolarHBondContact O-CG 3.44Å; E240-K244 PolarHBondContact O-N 2.92Å; E240-K244 WeakPolarHBondContact OE1-CE 3.3Å; E240-K244 IonicContact OE1-NZ 2.7Å; E240-K244 PolarHBondContact OE1-NZ 3.41Å; E240-K244 IonicContact OE2-NZ 3.86Å; E240-K244 PolarHBondContact OE2-NZ 3.17Å
241	E	94.6	Very high	91.9	Very high	84 Å²	84	101.9 Å²	101.9	39%	0.393	48%	0.476	S	S	.	.	H	α-helix	trans	-70.8	-41.1	175.5	-175.9	50.8	-144.8	0	0	112.8	A237 V239 K244 Q245	A237-E241 WeakPolarHBondContact O-CB 3.4Å; A237-E241 PolarHBondContact O-N 3.42Å; V239-E241 VanDerWaalsContact C-N 3.28Å; V239-E241 PolarHBondContact O-N 3.41Å; E241-K244 WeakPolarHBondContact O-CB 3.38Å; E241-K244 PolarHBondContact O-N 2.94Å; E241-Q245 WeakPolarHBondContact O-CG 3.37Å; E241-Q245 PolarHBondContact O-N 3.46Å; E241-Q245 PolarHBondContact OE1-NE2 2.67Å
242	L	94.4	Very high	90.9	Very high	97 Å²	97	100.5 Å²	100.5	51%	0.508	47%	0.469	S	S	.	.	H	α-helix	trans	-59	-47.5	170.5	-84.9	164.8	0	0	0	111.6	Y238 V239 K244 Q245 E246	Y238-L242 WeakPolarHBondContact O-CB 3.36Å; Y238-L242 WeakPolarHBondContact O-CG 3.42Å; Y238-L242 PolarHBondContact O-N 3.43Å; V239-L242 PolarHBondContact O-N 3.22Å; L242-K244 VanDerWaalsContact C-N 3.32Å; L242-K244 PolarHBondContact O-N 3.18Å; L242-Q245 PolarHBondContact O-N 3.04Å; L242-Q245 VanDerWaalsContact O-N 3.12Å; L242-E246 PolarHBondContact O-N 3.19Å
243	E	93.9	Very high	89.9	Confident	90 Å²	90	100.9 Å²	100.9	42%	0.421	48%	0.475	S	S	.	.	H	α-helix	trans	-60.4	-38.9	175.6	-81.5	-163.6	-162.4	0	0	112.3	V239 E246 K247	V239-E243 PolarHBondContact O-N 2.65Å; E243-E246 PolarHBondContact O-N 3.24Å; E243-K247 VanDerWaalsContact O-CB 3.29Å; E243-K247 WeakPolarHBondContact O-CB 3.49Å; E243-K247 VanDerWaalsContact O-CD 3.24Å; E243-K247 WeakPolarHBondContact O-CD 3.45Å; E243-K247 WeakPolarHBondContact O-CG 3.45Å; E243-K247 PolarHBondContact O-N 3.4Å; E243-K247 IonicContact OE2-NZ 3.54Å; E243-K247 PolarHBondContact OE2-NZ 3.12Å
244	K	92.4	Very high	88.5	Confident	86 Å²	86	102 Å²	102	37%	0.374	49%	0.494	S	S	.	.	H	α-helix	trans	-61.3	-44.8	173.7	-74.8	161.8	-164.8	156.7	0	110.8	E240 E241 L242 K247 T248	E240-K244 WeakPolarHBondContact O-CD 3.42Å; E240-K244 WeakPolarHBondContact O-CG 3.44Å; E240-K244 PolarHBondContact O-N 2.92Å; E240-K244 WeakPolarHBondContact OE1-CE 3.3Å; E240-K244 IonicContact OE1-NZ 2.7Å; E240-K244 PolarHBondContact OE1-NZ 3.41Å; E240-K244 IonicContact OE2-NZ 3.86Å; E240-K244 PolarHBondContact OE2-NZ 3.17Å; E241-K244 WeakPolarHBondContact O-CB 3.38Å; E241-K244 PolarHBondContact O-N 2.94Å; L242-K244 VanDerWaalsContact C-N 3.32Å; L242-K244 PolarHBondContact O-N 3.18Å; K244-K247 CarbonylContact O-C 3.47Å; K244-K247 PolarHBondContact O-N 3.12Å; K244-T248 WeakPolarHBondContact O-CG2 3.33Å; K244-T248 PolarHBondContact O-N 3.36Å; K244-T248 PolarHBondContact O-OG1 3.17Å
245	Q	90.5	Very high	86.9	Confident	75 Å²	75	105.9 Å²	105.9	35%	0.35	51%	0.508	S	S	.	.	H	α-helix	trans	-68.7	-33.7	179.6	-70.4	178.4	28.8	0	0	113.4	E241 L242 T248 K249	E241-Q245 WeakPolarHBondContact O-CG 3.37Å; E241-Q245 PolarHBondContact O-N 3.46Å; E241-Q245 PolarHBondContact OE1-NE2 2.67Å; L242-Q245 PolarHBondContact O-N 3.04Å; L242-Q245 VanDerWaalsContact O-N 3.12Å; Q245-T248 WeakPolarHBondContact CA-OG1 3.29Å; Q245-T248 PolarHBondContact O-OG1 3.43Å; Q245-K249 WeakPolarHBondContact O-CB 3.36Å; Q245-K249 WeakPolarHBondContact O-CD 3.37Å; Q245-K249 WeakPolarHBondContact O-CG 3.5Å; Q245-K249 PolarHBondContact O-N 3.2Å; Q245-K249 VanDerWaalsContact O-N 3.08Å
246	E	88.6	Confident	84.7	Confident	125 Å²	125	104.1 Å²	104.1	58%	0.584	51%	0.513	S	S	*	.	H	α-helix	trans	-68.1	-46.9	170.6	-69.7	-169.5	152.3	0	0	110.6	L242 E243 T248 K249 E250	L242-E246 PolarHBondContact O-N 3.19Å; E243-E246 PolarHBondContact O-N 3.24Å; E246-T248 PolarHBondContact O-N 3.24Å; E246-K249 PolarHBondContact O-N 2.91Å; E246-K249 VanDerWaalsContact O-N 3.14Å; E246-E250 WeakPolarHBondContact O-CG 3.49Å; E246-E250 PolarHBondContact O-N 3.33Å
247	K	88.9	Confident	82.5	Confident	93 Å²	93	105.8 Å²	105.8	40%	0.404	53%	0.528	S	S	.	.	H	α-helix	trans	-65.9	-18.5	177.7	-67.5	162.8	-162.9	170.6	0	113.5	E243 K244 K251	E243-K247 VanDerWaalsContact O-CB 3.29Å; E243-K247 WeakPolarHBondContact O-CB 3.49Å; E243-K247 VanDerWaalsContact O-CD 3.24Å; E243-K247 WeakPolarHBondContact O-CD 3.45Å; E243-K247 WeakPolarHBondContact O-CG 3.45Å; E243-K247 PolarHBondContact O-N 3.4Å; E243-K247 IonicContact OE2-NZ 3.54Å; E243-K247 PolarHBondContact OE2-NZ 3.12Å; K244-K247 CarbonylContact O-C 3.47Å; K244-K247 PolarHBondContact O-N 3.12Å; K247-K251 WeakPolarHBondContact O-CD 3.27Å; K247-K251 WeakPolarHBondContact O-CE 3.5Å; K247-K251 WeakPolarHBondContact O-CG 3.47Å; K247-K251 PolarHBondContact O-NZ 3.46Å
248	T	87.6	Confident	79.8	Confident	65 Å²	65	110.3 Å²	110.3	40%	0.399	55%	0.55	S	S	.	.	H	α-helix	trans	-83	-47	167.3	51.5	0	0	0	0	111.4	K244 Q245 E246 E250 K251 E252	K244-T248 WeakPolarHBondContact O-CG2 3.33Å; K244-T248 PolarHBondContact O-N 3.36Å; K244-T248 PolarHBondContact O-OG1 3.17Å; Q245-T248 WeakPolarHBondContact CA-OG1 3.29Å; Q245-T248 PolarHBondContact O-OG1 3.43Å; E246-T248 PolarHBondContact O-N 3.24Å; T248-E250 VanDerWaalsContact C-N 3.26Å; T248-E250 PolarHBondContact O-N 3.06Å; T248-K251 CarbonylContact O-C 3.4Å; T248-K251 WeakPolarHBondContact O-CA 3.28Å; T248-K251 WeakPolarHBondContact O-CB 3.39Å; T248-K251 PolarHBondContact O-N 2.75Å; T248-E252 WeakPolarHBondContact O-CG 2.92Å; T248-E252 PolarHBondContact O-N 3.39Å
249	K	86.4	Confident	77.2	Confident	102 Å²	102	106.4 Å²	106.4	44%	0.443	55%	0.552	S	S	.	*	H	α-helix	trans	-56.7	-37.4	174.9	-69.8	161.6	-166	162.8	0	112.3	Q245 E246 E252 K253	Q245-K249 WeakPolarHBondContact O-CB 3.36Å; Q245-K249 WeakPolarHBondContact O-CD 3.37Å; Q245-K249 WeakPolarHBondContact O-CG 3.5Å; Q245-K249 PolarHBondContact O-N 3.2Å; Q245-K249 VanDerWaalsContact O-N 3.08Å; E246-K249 PolarHBondContact O-N 2.91Å; E246-K249 VanDerWaalsContact O-N 3.14Å; K249-E252 PolarHBondContact O-N 3.1Å; K249-K253 VanDerWaalsContact O-CG 3.31Å; K249-K253 WeakPolarHBondContact O-CG 3.45Å; K249-K253 PolarHBondContact O-N 3.08Å
250	E	82.8	Confident	74.5	Confident	132 Å²	132	113.8 Å²	113.8	62%	0.617	58%	0.581	S	S	*	*	H	α-helix	trans	-65.8	-45.5	171.7	-74.9	-166	140.3	0	0	112.6	E246 T248 E252 K253 A254	E246-E250 WeakPolarHBondContact O-CG 3.49Å; E246-E250 PolarHBondContact O-N 3.33Å; T248-E250 VanDerWaalsContact C-N 3.26Å; T248-E250 PolarHBondContact O-N 3.06Å; E250-E252 PolarHBondContact O-N 2.79Å; E250-K253 PolarHBondContact O-N 3.16Å; E250-A254 VanDerWaalsContact O-CB 3.22Å; E250-A254 WeakPolarHBondContact O-CB 3.44Å; E250-A254 PolarHBondContact O-N 3.45Å
251	K	81.7	Confident	71.9	Confident	135 Å²	135	118.9 Å²	118.9	59%	0.587	60%	0.601	S	S	*	*	H	α-helix	trans	-64	-24.8	176.1	-72.5	165.3	-161.5	155.6	0	112.5	K247 T248 K255	K247-K251 WeakPolarHBondContact O-CD 3.27Å; K247-K251 WeakPolarHBondContact O-CE 3.5Å; K247-K251 WeakPolarHBondContact O-CG 3.47Å; K247-K251 PolarHBondContact O-NZ 3.46Å; T248-K251 CarbonylContact O-C 3.4Å; T248-K251 WeakPolarHBondContact O-CA 3.28Å; T248-K251 WeakPolarHBondContact O-CB 3.39Å; T248-K251 PolarHBondContact O-N 2.75Å; K251-K255 WeakPolarHBondContact O-CG 3.47Å
252	E	75.4	Confident	69.1	Low	121 Å²	121	120.3 Å²	120.3	57%	0.565	62%	0.621	S	S	*	*	H	α-helix	trans	-80.3	-44.8	174	-70.8	176.7	157.9	0	0	111.6	T248 K249 E250 A254 K255	T248-E252 WeakPolarHBondContact O-CG 2.92Å; T248-E252 PolarHBondContact O-N 3.39Å; K249-E252 PolarHBondContact O-N 3.1Å; E250-E252 PolarHBondContact O-N 2.79Å; E252-A254 PolarHBondContact O-N 3.24Å; E252-K255 WeakPolarHBondContact O-CB 3.39Å; E252-K255 PolarHBondContact O-N 3.05Å; E252-K255 VanDerWaalsContact O-N 3.15Å
253	K	72.1	Confident	66.7	Low	165 Å²	165	119.6 Å²	119.6	72%	0.717	64%	0.636	S	S	*	*	H	α-helix	trans	-58.8	-34.7	170.8	-71.8	171.4	-178.2	179.2	0	112.5	K249 E250 K255 T256	K249-K253 VanDerWaalsContact O-CG 3.31Å; K249-K253 WeakPolarHBondContact O-CG 3.45Å; K249-K253 PolarHBondContact O-N 3.08Å; E250-K253 PolarHBondContact O-N 3.16Å; K253-K255 VanDerWaalsContact C-N 3.31Å; K253-K255 PolarHBondContact O-N 3.31Å; K253-T256 PolarHBondContact O-OG1 2.98Å
254	A	63.5	Low	64.3	Low	78 Å²	78	124.1 Å²	124.1	65%	0.645	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.6	8.8	178.7	0	0	0	0	0	114.9	E250 E252	E250-A254 VanDerWaalsContact O-CB 3.22Å; E250-A254 WeakPolarHBondContact O-CB 3.44Å; E250-A254 PolarHBondContact O-N 3.45Å; E252-A254 PolarHBondContact O-N 3.24Å
255	K	62	Low	61.7	Low	156 Å²	156	128.8 Å²	128.8	68%	0.678	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.2	-6.4	171.5	-81.3	167.2	-172.4	172.1	0	113.7	K251 E252 K253	K251-K255 WeakPolarHBondContact O-CG 3.47Å; E252-K255 WeakPolarHBondContact O-CB 3.39Å; E252-K255 PolarHBondContact O-N 3.05Å; E252-K255 VanDerWaalsContact O-N 3.15Å; K253-K255 VanDerWaalsContact C-N 3.31Å; K253-K255 PolarHBondContact O-N 3.31Å
256	T	48	Very low	59.5	Low	113 Å²	113	129.8 Å²	129.8	69%	0.693	70%	0.701	S	S	*	*	S	Bend	trans	-73.9	131.4	167.9	46.8	0	0	0	0	110	K253 V258	K253-T256 PolarHBondContact O-OG1 2.98Å; T256-V258 PolarHBondContact O-N 3.19Å
257	P	50.5	Low	57.6	Low	122 Å²	122	129.8 Å²	129.8	79%	0.792	70%	0.702	S	S	*	*			trans	-91.8	114.7	-158.4	32.9	-35.6	0	0	0	114.6
258	V	37.1	Very low	55.8	Low	150 Å²	150	135.9 Å²	135.9	91%	0.909	72%	0.723	S	S	*	*			trans	-131.6	126.9	147.1	-177.6	0	0	0	0	108.9	T256	T256-V258 PolarHBondContact O-N 3.19Å
259	A	42.2	Very low	53.8	Low	86 Å²	86	141.7 Å²	141.7	71%	0.711	74%	0.742	S	S	*	*			trans	-91.2	137.7	-171.6	0	0	0	0	0	113.4
260	K	37.3	Very low	52	Low	204 Å²	204	141.8 Å²	141.8	89%	0.887	75%	0.747	S	S	*	*				-175	126.9	126.7	-98.3	152.4	-173.1	176.5	0	111.1
261	K	39.9	Very low	50.5	Low	217 Å²	217	138.7 Å²	138.7	94%	0.943	74%	0.737	S	S	*	*			trans	-121.7	108.6	166.5	-95.9	-176.4	178.2	172.2	0	109.1
262	S	36.5	Very low	49.2	Very low	115 Å²	115	135.3 Å²	135.3	80%	0.804	73%	0.731	S	S	*	*			trans	-146.7	147.6	163.7	50.8	0	0	0	0	108.9
263	G	43.2	Very low	48.1	Very low	81 Å²	81	135.6 Å²	135.6	84%	0.835	73%	0.734	S	S	*	*			trans	71.9	80.7	177	0	0	0	0	0	116.1
264	K	43.5	Very low	47.3	Very low	186 Å²	186	132.1 Å²	132.1	81%	0.809	72%	0.72	S	S	*	*			trans	-132.7	17.6	169.3	-135.2	-178.8	-173.7	-176.8	0	116.5
265	M	38.1	Very low	47.2	Very low	184 Å²	184	131 Å²	131	91%	0.906	71%	0.708	S	S	*	*	S	Bend	trans	-94.8	-27.9	175.9	-73.8	-175.9	175.3	0	0	114.5	M267	M265-M267 PolarHBondContact O-N 3.16Å
266	A	44.3	Very low	47.2	Very low	95 Å²	95	129.8 Å²	129.8	79%	0.785	71%	0.705	S	S	*	*	S	Bend	trans	-68.7	-32.6	-176.8	0	0	0	0	0	113.9	R268	A266-R268 VanDerWaalsContact C-N 3.32Å; A266-R268 PolarHBondContact O-N 3Å
267	M	48.8	Very low	48.1	Very low	126 Å²	126	127.9 Å²	127.9	62%	0.621	69%	0.693	S	S	*	*	G	3₁₀ helix	trans	-66.2	-31	-168.6	-151.6	170.7	-164.8	0	0	113.6	M265 K269 L270 T271	M265-M267 PolarHBondContact O-N 3.16Å; M267-K269 PolarHBondContact O-N 3.15Å; M267-K269 VanDerWaalsContact O-N 3.16Å; M267-L270 PolarHBondContact O-N 3.02Å; M267-L270 VanDerWaalsContact O-N 3.08Å; M267-T271 HydrophobicContact CG-CG2 4.48Å; M267-T271 PolarHBondContact O-N 2.99Å
268	R	50.8	Low	49.1	Very low	220 Å²	220	126 Å²	126	83%	0.83	68%	0.676	S	S	*	*	G	3₁₀ helix	trans	-70.1	-13.4	-170	-129.6	176.9	-175.2	172.4	-0.5	115	A266	A266-R268 VanDerWaalsContact C-N 3.32Å; A266-R268 PolarHBondContact O-N 3Å
269	K	45.9	Very low	51	Low	187 Å²	187	123.2 Å²	123.2	81%	0.813	66%	0.656	S	S	*	*	G	3₁₀ helix	trans	-95.4	-14	174.1	-112.4	-171.8	177.9	-173.7	0	113.6	M267	M267-K269 PolarHBondContact O-N 3.15Å; M267-K269 VanDerWaalsContact O-N 3.16Å
270	L	48.6	Very low	52.7	Low	104 Å²	104	124.6 Å²	124.6	55%	0.545	65%	0.651	S	S	.	*	T	Hydrogen-bonded Turn	trans	-86.2	-47.2	176	-160.3	72.5	0	0	0	110	M267 S272 M273 E274	M267-L270 PolarHBondContact O-N 3.02Å; M267-L270 VanDerWaalsContact O-N 3.08Å; L270-S272 PolarHBondContact O-N 3.05Å; L270-S272 VanDerWaalsContact O-N 3.1Å; L270-M273 WeakPolarHBondContact O-CB 3.24Å; L270-M273 PolarHBondContact O-N 3.23Å; L270-E274 HydrophobicContact CG-CG 4.46Å; L270-E274 PolarHBondContact O-N 3.32Å
271	T	51.3	Low	54.9	Low	67 Å²	67	119.5 Å²	119.5	41%	0.411	63%	0.633	S	S	.	*	H	α-helix	trans	-58.5	-27.9	-176.8	52.8	0	0	0	0	114.7	M267 E274 S275	M267-T271 HydrophobicContact CG-CG2 4.48Å; M267-T271 PolarHBondContact O-N 2.99Å; T271-E274 WeakPolarHBondContact CA-OE2 3.36Å; T271-E274 PolarHBondContact N-OE2 3.46Å; T271-S275 PolarHBondContact O-N 2.84Å; T271-S275 PolarHBondContact O-OG 3.49Å
272	S	54.3	Low	57	Low	65 Å²	65	114.9 Å²	114.9	46%	0.455	61%	0.612	S	S	.	*	H	α-helix	trans	-80.5	-18.6	176.7	57	0	0	0	0	114	L270 S275	L270-S272 PolarHBondContact O-N 3.05Å; L270-S272 VanDerWaalsContact O-N 3.1Å; S272-S275 PolarHBondContact O-OG 3.42Å
273	M	52.3	Low	59.6	Low	126 Å²	126	115 Å²	115	62%	0.621	60%	0.603	S	S	*	*	H	α-helix	trans	-85.1	-42.9	171.7	-163.1	98.5	84.3	0	0	109.6	L270 S275 Q276 T277	L270-M273 WeakPolarHBondContact O-CB 3.24Å; L270-M273 PolarHBondContact O-N 3.23Å; M273-S275 VanDerWaalsContact C-N 3.35Å; M273-S275 PolarHBondContact O-N 3.12Å; M273-Q276 PolarHBondContact O-N 2.86Å; M273-Q276 VanDerWaalsContact O-N 3.17Å; M273-T277 PolarHBondContact O-N 2.68Å; M273-T277 VanDerWaalsContact O-N 3.12Å; M273-T277 PolarHBondContact O-OG1 3.48Å
274	E	55.1	Low	61.6	Low	92 Å²	92	114.1 Å²	114.1	43%	0.43	59%	0.585	S	S	.	*	H	α-helix	trans	-58	-44	177.4	-68.8	169.9	135.1	0	0	111.6	L270 T271 Q276 T277 D278	L270-E274 HydrophobicContact CG-CG 4.46Å; L270-E274 PolarHBondContact O-N 3.32Å; T271-E274 WeakPolarHBondContact CA-OE2 3.36Å; T271-E274 PolarHBondContact N-OE2 3.46Å; E274-Q276 VanDerWaalsContact C-N 3.33Å; E274-Q276 PolarHBondContact O-N 3.37Å; E274-T277 WeakPolarHBondContact CA-OG1 3.26Å; E274-T277 PolarHBondContact O-N 3.06Å; E274-T277 PolarHBondContact O-OG1 3.1Å; E274-D278 PolarHBondContact O-N 3.34Å
275	S	60.8	Low	63.6	Low	56 Å²	56	111.3 Å²	111.3	39%	0.392	57%	0.574	S	S	.	*	H	α-helix	trans	-60.7	-38.4	176.3	60.1	0	0	0	0	113.4	T271 S272 M273 D278 D279	T271-S275 PolarHBondContact O-N 2.84Å; T271-S275 PolarHBondContact O-OG 3.49Å; S272-S275 PolarHBondContact O-OG 3.42Å; M273-S275 VanDerWaalsContact C-N 3.35Å; M273-S275 PolarHBondContact O-N 3.12Å; S275-D278 PolarHBondContact O-N 3.2Å; S275-D279 PolarHBondContact O-N 2.83Å; S275-D279 VanDerWaalsContact O-N 3.12Å
276	Q	63	Low	66.1	Low	130 Å²	130	104.9 Å²	104.9	61%	0.607	55%	0.551	S	S	*	*	H	α-helix	trans	-69.1	-36	177.1	-71	-174.5	-15.1	0	0	112	M273 E274 L280	M273-Q276 PolarHBondContact O-N 2.86Å; M273-Q276 VanDerWaalsContact O-N 3.17Å; E274-Q276 VanDerWaalsContact C-N 3.33Å; E274-Q276 PolarHBondContact O-N 3.37Å; Q276-L280 WeakPolarHBondContact O-CG 3.39Å; Q276-L280 PolarHBondContact O-N 2.73Å
277	T	66.7	Low	68.4	Low	72 Å²	72	103 Å²	103	44%	0.442	54%	0.535	S	S	.	.	H	α-helix	trans	-68.8	-38.4	173.6	45.8	0	0	0	0	112.5	M273 E274 L280 I281	M273-T277 PolarHBondContact O-N 2.68Å; M273-T277 VanDerWaalsContact O-N 3.12Å; M273-T277 PolarHBondContact O-OG1 3.48Å; E274-T277 WeakPolarHBondContact CA-OG1 3.26Å; E274-T277 PolarHBondContact O-N 3.06Å; E274-T277 PolarHBondContact O-OG1 3.1Å; T277-L280 PolarHBondContact O-N 2.89Å; T277-I281 WeakPolarHBondContact O-CD1 3.49Å; T277-I281 VanDerWaalsContact O-CG1 3.26Å; T277-I281 WeakPolarHBondContact O-CG1 3.35Å; T277-I281 PolarHBondContact O-N 3.35Å
278	D	71.7	Confident	70.2	Confident	82 Å²	82	101.4 Å²	101.4	44%	0.439	52%	0.524	S	S	.	.	H	α-helix	trans	-64.4	-41	177.6	-78.6	-12.6	0	0	0	112.2	E274 S275 I281 K282	E274-D278 PolarHBondContact O-N 3.34Å; S275-D278 PolarHBondContact O-N 3.2Å; D278-I281 PolarHBondContact O-N 3.24Å; D278-K282 WeakPolarHBondContact O-CE 3.46Å; D278-K282 VanDerWaalsContact O-CG 3.27Å; D278-K282 WeakPolarHBondContact O-CG 3.34Å; D278-K282 PolarHBondContact O-N 3Å
279	D	75.9	Confident	72.2	Confident	92 Å²	92	94.7 Å²	94.7	49%	0.492	50%	0.504	S	S	.	.	H	α-helix	trans	-69.2	-36	178.5	-69.4	-22.7	0	0	0	112.3	S275 K282 L283	S275-D279 PolarHBondContact O-N 2.83Å; S275-D279 VanDerWaalsContact O-N 3.12Å; D279-K282 PolarHBondContact O-N 2.96Å; D279-K282 IonicContact OD1-NZ 3.87Å; D279-K282 PolarHBondContact OD1-NZ 3.26Å; D279-L283 WeakPolarHBondContact O-CB 3.38Å; D279-L283 PolarHBondContact O-N 3.39Å
280	L	79.6	Confident	74.4	Confident	116 Å²	116	91.2 Å²	91.2	61%	0.607	49%	0.492	S	S	*	.	H	α-helix	trans	-64.6	-37.9	170.2	-72.7	170.7	0	0	0	112.2	Q276 T277 S284	Q276-L280 WeakPolarHBondContact O-CG 3.39Å; Q276-L280 PolarHBondContact O-N 2.73Å; T277-L280 PolarHBondContact O-N 2.89Å; L280-S284 WeakPolarHBondContact O-CB 3.35Å; L280-S284 PolarHBondContact O-N 3.21Å
281	I	81.9	Confident	76.4	Confident	97 Å²	97	89.3 Å²	89.3	50%	0.497	48%	0.481	S	S	.	.	H	α-helix	trans	-64.2	-49.3	175	-71	162.1	0	0	0	110.4	T277 D278 L283 S284 Q285	T277-I281 WeakPolarHBondContact O-CD1 3.49Å; T277-I281 VanDerWaalsContact O-CG1 3.26Å; T277-I281 WeakPolarHBondContact O-CG1 3.35Å; T277-I281 PolarHBondContact O-N 3.35Å; D278-I281 PolarHBondContact O-N 3.24Å; I281-L283 VanDerWaalsContact C-N 3.34Å; I281-L283 PolarHBondContact O-N 2.76Å; I281-S284 PolarHBondContact O-N 3.45Å; I281-S284 VanDerWaalsContact O-N 3.17Å; I281-S284 PolarHBondContact O-OG 3.08Å; I281-Q285 PolarHBondContact O-N 3.42Å
282	K	85.1	Confident	78.4	Confident	120 Å²	120	89.1 Å²	89.1	52%	0.522	47%	0.472	S	S	.	.	H	α-helix	trans	-56.1	-47.1	175.7	-66.6	163.3	-151	162.6	0	111.5	D278 D279 S284 Q285 A286	D278-K282 WeakPolarHBondContact O-CE 3.46Å; D278-K282 VanDerWaalsContact O-CG 3.27Å; D278-K282 WeakPolarHBondContact O-CG 3.34Å; D278-K282 PolarHBondContact O-N 3Å; D279-K282 PolarHBondContact O-N 2.96Å; D279-K282 IonicContact OD1-NZ 3.87Å; D279-K282 PolarHBondContact OD1-NZ 3.26Å; K282-S284 PolarHBondContact O-N 3.2Å; K282-Q285 PolarHBondContact O-N 3.04Å; K282-A286 PolarHBondContact O-N 2.98Å
283	L	89.9	Confident	80.2	Confident	116 Å²	116	90.8 Å²	90.8	61%	0.607	47%	0.474	S	S	*	.	H	α-helix	trans	-61.8	-41.9	177.7	-177.7	61.5	0	0	0	111.7	D279 I281 Q285 A286 A287	D279-L283 WeakPolarHBondContact O-CB 3.38Å; D279-L283 PolarHBondContact O-N 3.39Å; I281-L283 VanDerWaalsContact C-N 3.34Å; I281-L283 PolarHBondContact O-N 2.76Å; L283-Q285 VanDerWaalsContact C-N 3.31Å; L283-Q285 PolarHBondContact O-N 3.08Å; L283-A286 PolarHBondContact O-N 3.33Å; L283-A287 WeakPolarHBondContact O-CB 3.4Å; L283-A287 PolarHBondContact O-N 3.23Å
284	S	85.2	Confident	82.2	Confident	64 Å²	64	88.9 Å²	88.9	45%	0.448	47%	0.469	S	S	.	.	H	α-helix	trans	-63.3	-35.8	176.7	80.3	0	0	0	0	112.8	L280 I281 K282 K288	L280-S284 WeakPolarHBondContact O-CB 3.35Å; L280-S284 PolarHBondContact O-N 3.21Å; I281-S284 PolarHBondContact O-N 3.45Å; I281-S284 VanDerWaalsContact O-N 3.17Å; I281-S284 PolarHBondContact O-OG 3.08Å; K282-S284 PolarHBondContact O-N 3.2Å; S284-K288 WeakPolarHBondContact O-CG 3.5Å; S284-K288 PolarHBondContact O-N 2.74Å; S284-K288 VanDerWaalsContact O-N 3.08Å
285	Q	86.3	Confident	84	Confident	126 Å²	126	85.3 Å²	85.3	59%	0.589	45%	0.453	S	S	*	.	H	α-helix	trans	-70.7	-42.5	176.3	-176.7	173.4	-14	0	0	111.4	I281 K282 L283 K288 I289	I281-Q285 PolarHBondContact O-N 3.42Å; K282-Q285 PolarHBondContact O-N 3.04Å; L283-Q285 VanDerWaalsContact C-N 3.31Å; L283-Q285 PolarHBondContact O-N 3.08Å; Q285-K288 PolarHBondContact O-N 2.89Å; Q285-I289 HydrophobicContact CG-CD1 4.47Å; Q285-I289 WeakPolarHBondContact O-CG1 3.29Å; Q285-I289 PolarHBondContact O-N 3.05Å
286	A	91.5	Very high	85.5	Confident	50 Å²	50	88.2 Å²	88.2	41%	0.413	46%	0.46	S	S	.	.	H	α-helix	trans	-62.5	-43.3	173.6	0	0	0	0	0	111.8	K282 L283 K288 I289 M290	K282-A286 PolarHBondContact O-N 2.98Å; L283-A286 PolarHBondContact O-N 3.33Å; A286-K288 PolarHBondContact O-N 2.81Å; A286-I289 WeakPolarHBondContact O-CB 3.34Å; A286-I289 PolarHBondContact O-N 3.44Å; A286-I289 VanDerWaalsContact O-N 3.08Å; A286-M290 PolarHBondContact O-N 3.35Å
287	A	90.7	Very high	86.9	Confident	54 Å²	54	87.9 Å²	87.9	45%	0.446	46%	0.463	S	S	.	.	H	α-helix	trans	-59.5	-44.2	176.3	0	0	0	0	0	112.2	L283 I289 M290 E291	L283-A287 WeakPolarHBondContact O-CB 3.4Å; L283-A287 PolarHBondContact O-N 3.23Å; A287-I289 VanDerWaalsContact C-N 3.26Å; A287-I289 PolarHBondContact O-N 3.47Å; A287-M290 PolarHBondContact O-N 3.01Å; A287-E291 WeakPolarHBondContact O-CB 3.38Å; A287-E291 PolarHBondContact O-N 3.26Å
288	K	88.1	Confident	88.2	Confident	94 Å²	94	89 Å²	89	41%	0.409	47%	0.469	S	S	.	.	H	α-helix	trans	-62.5	-28.1	174	-77	-172.4	173.3	-160.2	0	113.9	S284 Q285 A286 R292 E381	S284-K288 WeakPolarHBondContact O-CG 3.5Å; S284-K288 PolarHBondContact O-N 2.74Å; S284-K288 VanDerWaalsContact O-N 3.08Å; Q285-K288 PolarHBondContact O-N 2.89Å; A286-K288 PolarHBondContact O-N 2.81Å; K288-R292 WeakPolarHBondContact O-CG 3.5Å; K288-R292 PolarHBondContact O-N 2.79Å; K288-E381 PolarHBondContact NZ-O 3.08Å
289	I	91.3	Very high	89.2	Confident	78 Å²	78	88.8 Å²	88.8	40%	0.4	46%	0.463	S	S	.	.	H	α-helix	trans	-75.6	-45.7	175	-67.5	164.7	0	0	0	110	Q285 A286 A287 E291 R292 M293	Q285-I289 HydrophobicContact CG-CD1 4.47Å; Q285-I289 WeakPolarHBondContact O-CG1 3.29Å; Q285-I289 PolarHBondContact O-N 3.05Å; A286-I289 WeakPolarHBondContact O-CB 3.34Å; A286-I289 PolarHBondContact O-N 3.44Å; A286-I289 VanDerWaalsContact O-N 3.08Å; A287-I289 VanDerWaalsContact C-N 3.26Å; A287-I289 PolarHBondContact O-N 3.47Å; I289-E291 VanDerWaalsContact C-N 3.33Å; I289-E291 PolarHBondContact O-N 3.37Å; I289-R292 PolarHBondContact O-N 2.86Å; I289-M293 HydrophobicContact CG2-CE 3.81Å; I289-M293 HydrophobicContact CG2-SD 4.33Å; I289-M293 WeakPolarHBondContact O-CG 3.45Å; I289-M293 PolarHBondContact O-N 2.96Å
290	M	92.8	Very high	90.1	Very high	115 Å²	115	87.3 Å²	87.3	57%	0.567	46%	0.455	S	S	*	.	H	α-helix	trans	-59.9	-41.9	174.3	-68.5	-62.6	-64.1	0	0	112.1	A286 A287 R292 M293 V294	A286-M290 PolarHBondContact O-N 3.35Å; A287-M290 PolarHBondContact O-N 3.01Å; M290-R292 VanDerWaalsContact C-N 3.33Å; M290-R292 PolarHBondContact O-N 2.72Å; M290-M293 WeakPolarHBondContact O-CB 3.42Å; M290-M293 PolarHBondContact O-N 2.93Å; M290-M293 VanDerWaalsContact O-N 3.16Å; M290-M293 HydrophobicContact SD-SD 4.16Å; M290-V294 WeakPolarHBondContact O-CG2 3.21Å; M290-V294 PolarHBondContact O-N 2.76Å
291	E	91.3	Very high	90.8	Very high	64 Å²	64	87.7 Å²	87.7	30%	0.299	46%	0.458	S	S	.	.	H	α-helix	trans	-59.1	-42.4	176.4	-171.8	-169.4	174.6	0	0	111.9	A287 I289 V294 N295 N376 F379	A287-E291 WeakPolarHBondContact O-CB 3.38Å; A287-E291 PolarHBondContact O-N 3.26Å; I289-E291 VanDerWaalsContact C-N 3.33Å; I289-E291 PolarHBondContact O-N 3.37Å; E291-V294 PolarHBondContact O-N 3.43Å; E291-N295 WeakPolarHBondContact O-CB 3.46Å; E291-N295 PolarHBondContact O-N 3.31Å; E291-N295 PolarHBondContact O-ND2 2.93Å; E291-N376 PolarHBondContact OE1-ND2 3.11Å; E291-F379 VanDerWaalsContact OE1-CD2 3.28Å; E291-F379 WeakPolarHBondContact OE1-CD2 3.31Å
292	R	93.1	Very high	91.5	Very high	63 Å²	63	85.3 Å²	85.3	24%	0.238	45%	0.446	C	S	.	.	H	α-helix	trans	-64.4	-41	174.1	-75.8	167.9	164.1	155.3	-7.1	112.2	K288 I289 M290 N295 Q296 K375 N376 E381	K288-R292 WeakPolarHBondContact O-CG 3.5Å; K288-R292 PolarHBondContact O-N 2.79Å; I289-R292 PolarHBondContact O-N 2.86Å; M290-R292 VanDerWaalsContact C-N 3.33Å; M290-R292 PolarHBondContact O-N 2.72Å; R292-N295 PolarHBondContact O-N 2.6Å; R292-Q296 WeakPolarHBondContact O-CB 3.37Å; R292-Q296 PolarHBondContact O-N 3.35Å; R292-K375 HydrophobicContact CG-CB 4.09Å; R292-N376 HydrophobicContact CG-CB 4.47Å; R292-E381 IonicContact CZ-OE1 3.66Å; R292-E381 IonicContact CZ-OE2 3.01Å; R292-E381 IonicContact NH1-OE1 2.6Å; R292-E381 IonicContact NH2-OE1 3.72Å; R292-E381 PolarHBondContact NH2-OE1 3.42Å; R292-E381 IonicContact NH2-OE2 3.1Å; R292-E381 PolarHBondContact NH2-OE2 2.98Å
293	M	92.3	Very high	91.8	Very high	100 Å²	100	81 Å²	81	49%	0.493	43%	0.433	S	S	.	.	H	α-helix	trans	-62.9	-41.8	175.9	-68.2	170.7	171.8	0	0	111.8	I289 M290 Q296 N297	I289-M293 HydrophobicContact CG2-CE 3.81Å; I289-M293 HydrophobicContact CG2-SD 4.33Å; I289-M293 WeakPolarHBondContact O-CG 3.45Å; I289-M293 PolarHBondContact O-N 2.96Å; M290-M293 WeakPolarHBondContact O-CB 3.42Å; M290-M293 PolarHBondContact O-N 2.93Å; M290-M293 VanDerWaalsContact O-N 3.16Å; M290-M293 HydrophobicContact SD-SD 4.16Å; M293-Q296 PolarHBondContact O-N 2.94Å; M293-N297 VanDerWaalsContact O-CG 3.3Å; M293-N297 PolarHBondContact O-N 3.23Å; M293-N297 VanDerWaalsContact O-N 3.1Å; M293-N297 PolarHBondContact O-OD1 3.17Å
294	V	94.4	Very high	92	Very high	86 Å²	86	80.1 Å²	80.1	52%	0.521	43%	0.425	S	S	.	.	H	α-helix	trans	-65.5	-45.2	175.9	172.9	0	0	0	0	111.6	M290 E291 N297 T298	M290-V294 WeakPolarHBondContact O-CG2 3.21Å; M290-V294 PolarHBondContact O-N 2.76Å; E291-V294 PolarHBondContact O-N 3.43Å; V294-N297 PolarHBondContact O-N 3.48Å; V294-T298 PolarHBondContact O-N 3.05Å; V294-T298 PolarHBondContact O-OG1 3.11Å
295	N	92.4	Very high	92.5	Very high	16 Å²	16	79.8 Å²	79.8	9%	0.086	42%	0.419	C	S	.	.	H	α-helix	trans	-63.5	-40.2	176.4	-82.8	-87	0	0	0	112	E291 R292 N297 T298 Y299 N376 S378	E291-N295 WeakPolarHBondContact O-CB 3.46Å; E291-N295 PolarHBondContact O-N 3.31Å; E291-N295 PolarHBondContact O-ND2 2.93Å; R292-N295 PolarHBondContact O-N 2.6Å; N295-N297 PolarHBondContact O-N 2.89Å; N295-T298 PolarHBondContact O-N 2.9Å; N295-T298 VanDerWaalsContact O-N 3.16Å; N295-Y299 VanDerWaalsContact O-CD2 3.29Å; N295-Y299 WeakPolarHBondContact O-CD2 3.34Å; N295-Y299 PolarHBondContact O-N 3.04Å; N295-N376 PolarHBondContact ND2-OD1 3.16Å; N295-N376 PolarHBondContact OD1-OD1 3.29Å; N295-S378 WeakPolarHBondContact OD1-CB 3.42Å; N295-S378 PolarHBondContact OD1-OG 2.83Å
296	Q	91.5	Very high	92.9	Very high	117 Å²	117	75.6 Å²	75.6	55%	0.547	40%	0.399	S	S	.	.	H	α-helix	trans	-57.9	-48.5	174.8	-178	177	-18.3	0	0	110.8	R292 M293 T298 Y299 D300	R292-Q296 WeakPolarHBondContact O-CB 3.37Å; R292-Q296 PolarHBondContact O-N 3.35Å; M293-Q296 PolarHBondContact O-N 2.94Å; Q296-T298 PolarHBondContact O-N 2.85Å; Q296-Y299 CarbonylContact O-C 3.55Å; Q296-Y299 PolarHBondContact O-N 3.29Å; Q296-D300 WeakPolarHBondContact O-CA 3.47Å; Q296-D300 PolarHBondContact O-N 3.37Å
297	N	93.6	Very high	92.9	Very high	124 Å²	124	78.9 Å²	78.9	66%	0.663	40%	0.404	S	S	*	.	H	α-helix	trans	-65.9	-25.1	178.3	-65.2	-3.1	0	0	0	113.4	M293 V294 N295	M293-N297 VanDerWaalsContact O-CG 3.3Å; M293-N297 PolarHBondContact O-N 3.23Å; M293-N297 VanDerWaalsContact O-N 3.1Å; M293-N297 PolarHBondContact O-OD1 3.17Å; V294-N297 PolarHBondContact O-N 3.48Å; N295-N297 PolarHBondContact O-N 2.89Å
298	T	93.9	Very high	93	Very high	94 Å²	94	85 Å²	85	58%	0.577	42%	0.416	S	S	*	.	H	α-helix	trans	-81.3	-24.7	177.7	-59.5	0	0	0	0	112.8	V294 N295 Q296	V294-T298 PolarHBondContact O-N 3.05Å; V294-T298 PolarHBondContact O-OG1 3.11Å; N295-T298 PolarHBondContact O-N 2.9Å; N295-T298 VanDerWaalsContact O-N 3.16Å; Q296-T298 PolarHBondContact O-N 2.85Å
299	Y	93.5	Very high	93.2	Very high	79 Å²	79	85.2 Å²	85.2	31%	0.31	42%	0.415	S	S	.	.	S	Bend	trans	-122.9	29.3	-177.3	-60.4	-65.8	0	0	0	112.5	N295 Q296 D301 I302 A303 P377	N295-Y299 VanDerWaalsContact O-CD2 3.29Å; N295-Y299 WeakPolarHBondContact O-CD2 3.34Å; N295-Y299 PolarHBondContact O-N 3.04Å; Q296-Y299 CarbonylContact O-C 3.55Å; Q296-Y299 PolarHBondContact O-N 3.29Å; Y299-D301 PolarHBondContact O-N 2.9Å; Y299-I302 HydrophobicContact CD1-CD1 3.92Å; Y299-I302 PolarHBondContact O-N 3.25Å; Y299-I302 VanDerWaalsContact O-N 3.15Å; Y299-A303 PolarHBondContact O-N 2.92Å; Y299-P377 HydrophobicContact CD2-CG 3.54Å; Y299-P377 HydrophobicContact CE2-CG 3.45Å; Y299-P377 VanDerWaalsContact CE2-CG 3.45Å; Y299-P377 HydrophobicContact CG-CG 4.34Å
300	D	93.9	Very high	93.1	Very high	60 Å²	60	84.8 Å²	84.8	32%	0.321	41%	0.414	S	S	.	.	H	α-helix	trans	-62.7	-44	-173.2	-165.9	62.7	0	0	0	111.6	Q296 I302 A303 Q304	Q296-D300 WeakPolarHBondContact O-CA 3.47Å; Q296-D300 PolarHBondContact O-N 3.37Å; D300-I302 VanDerWaalsContact C-N 3.27Å; D300-I302 PolarHBondContact O-N 3.06Å; D300-A303 CarbonylContact O-C 3.55Å; D300-A303 WeakPolarHBondContact O-CA 3.42Å; D300-A303 WeakPolarHBondContact O-CB 3.21Å; D300-A303 PolarHBondContact O-N 2.97Å; D300-Q304 WeakPolarHBondContact O-CG 3.4Å; D300-Q304 PolarHBondContact O-N 2.87Å; D300-Q304 PolarHBondContact OD2-NE2 2.83Å
301	D	94.9	Very high	92.9	Very high	125 Å²	125	80.5 Å²	80.5	67%	0.668	39%	0.393	S	S	*	.	H	α-helix	trans	-51.6	-45.6	173.6	-56.3	-32.1	0	0	0	111.8	Y299 A303 Q304 D305	Y299-D301 PolarHBondContact O-N 2.9Å; D301-A303 VanDerWaalsContact C-N 3.35Å; D301-A303 PolarHBondContact O-N 2.95Å; D301-Q304 PolarHBondContact O-N 2.91Å; D301-D305 WeakPolarHBondContact O-CB 3.3Å; D301-D305 PolarHBondContact O-N 2.95Å
302	I	95.1	Very high	92.7	Very high	46 Å²	46	80.7 Å²	80.7	24%	0.236	41%	0.406	C	S	.	.	H	α-helix	trans	-69.8	-33.4	179.7	-53	-176.9	0	0	0	111.1	Y299 D300 F306 L326 W327	Y299-I302 HydrophobicContact CD1-CD1 3.92Å; Y299-I302 PolarHBondContact O-N 3.25Å; Y299-I302 VanDerWaalsContact O-N 3.15Å; D300-I302 VanDerWaalsContact C-N 3.27Å; D300-I302 PolarHBondContact O-N 3.06Å; I302-F306 VanDerWaalsContact O-CB 3.29Å; I302-F306 WeakPolarHBondContact O-CB 3.35Å; I302-F306 PolarHBondContact O-N 2.71Å; I302-L326 HydrophobicContact CG2-CB 3.72Å; I302-L326 HydrophobicContact CG2-CD2 3.89Å; I302-L326 HydrophobicContact CG2-CG 4.39Å; I302-W327 HydrophobicContact CG2-CD2 3.91Å; I302-W327 HydrophobicContact CG2-CG 4.05Å; I302-W327 HydrophobicContact CG2-CZ2 4.18Å
303	A	92.9	Very high	92.3	Very high	30 Å²	30	79.4 Å²	79.4	25%	0.248	41%	0.409	C	S	.	.	H	α-helix	trans	-72.4	-36.6	175.5	0	0	0	0	0	112.3	Y299 D300 D301 K307 W327	Y299-A303 PolarHBondContact O-N 2.92Å; D300-A303 CarbonylContact O-C 3.55Å; D300-A303 WeakPolarHBondContact O-CA 3.42Å; D300-A303 WeakPolarHBondContact O-CB 3.21Å; D300-A303 PolarHBondContact O-N 2.97Å; D301-A303 VanDerWaalsContact C-N 3.35Å; D301-A303 PolarHBondContact O-N 2.95Å; A303-K307 WeakPolarHBondContact O-CB 3.48Å; A303-K307 PolarHBondContact O-N 3.08Å; A303-W327 HydrophobicContact CB-CZ2 4.32Å
304	Q	94	Very high	92	Very high	98 Å²	98	74.9 Å²	74.9	46%	0.458	39%	0.386	S	S	.	.	H	α-helix	trans	-64.4	-47.7	169.9	-66.9	-171.4	41.4	0	0	110.4	D300 D301 F306 K307 Y308 Y309	D300-Q304 WeakPolarHBondContact O-CG 3.4Å; D300-Q304 PolarHBondContact O-N 2.87Å; D300-Q304 PolarHBondContact OD2-NE2 2.83Å; D301-Q304 PolarHBondContact O-N 2.91Å; Q304-F306 PolarHBondContact O-N 2.71Å; Q304-K307 PolarHBondContact O-N 2.56Å; Q304-K307 VanDerWaalsContact O-N 3.13Å; Q304-Y308 PolarHBondContact O-N 3.39Å; Q304-Y309 PolarHBondContact O-N 2.95Å
305	D	95.1	Very high	91.4	Very high	57 Å²	57	78.8 Å²	78.8	31%	0.305	40%	0.399	S	S	.	.	H	α-helix	trans	-60.9	-42	177.3	-88.4	-5.7	0	0	0	112.7	D301 K307 Y309 L324 L326 K661	D301-D305 WeakPolarHBondContact O-CB 3.3Å; D301-D305 PolarHBondContact O-N 2.95Å; D305-K307 VanDerWaalsContact C-N 3.31Å; D305-K307 PolarHBondContact O-N 2.68Å; D305-Y309 WeakPolarHBondContact OD1-CB 3.35Å; D305-L324 HydrophobicContact CB-CD2 4.17Å; D305-L326 HydrophobicContact CB-CD2 4Å; D305-K661 PolarHBondContact O-NZ 3.11Å
306	F	93.9	Very high	91	Very high	38 Å²	38	87.2 Å²	87.2	17%	0.167	43%	0.431	C	S	.	.	H	α-helix	trans	-55.5	-46.3	173.2	166.2	-112.6	0	0	0	111.9	I302 Q304 L326 W327 L374 H645 I647 K661	I302-F306 VanDerWaalsContact O-CB 3.29Å; I302-F306 WeakPolarHBondContact O-CB 3.35Å; I302-F306 PolarHBondContact O-N 2.71Å; Q304-F306 PolarHBondContact O-N 2.71Å; F306-L326 HydrophobicContact CB-CD1 3.88Å; F306-L326 HydrophobicContact CB-CD2 4.5Å; F306-L326 HydrophobicContact CD2-CD1 3.89Å; F306-L326 HydrophobicContact CG-CD1 4.36Å; F306-W327 HydrophobicContact CB-CH2 3.51Å; F306-W327 HydrophobicContact CB-CZ2 4.3Å; F306-W327 HydrophobicContact CB-CZ3 4.03Å; F306-W327 AromaticContact CD1-CH2 3.81Å; F306-W327 HydrophobicContact CD1-CH2 3.81Å; F306-W327 HydrophobicContact CD1-CZ3 4.48Å; F306-W327 HydrophobicContact CD2-CH2 4.03Å; F306-W327 AromaticContact CD2-CZ3 3.92Å; F306-W327 HydrophobicContact CD2-CZ3 3.92Å; F306-W327 AromaticContact CG-CH2 3.51Å; F306-W327 HydrophobicContact CG-CH2 3.51Å; F306-W327 AromaticContact CG-CZ3 3.89Å; F306-W327 HydrophobicContact CG-CZ3 3.89Å; F306-L374 HydrophobicContact CZ-CD1 4.34Å; F306-H645 HydrophobicContact CE2-CB 3.95Å; F306-H645 HydrophobicContact CZ-CB 4.01Å; F306-H645 AromaticContact CZ-CG 3.7Å; F306-H645 AromaticContact CZ-ND1 3.84Å; F306-I647 HydrophobicContact CD2-CG2 3.8Å; F306-I647 HydrophobicContact CE2-CD1 3.99Å; F306-I647 HydrophobicContact CE2-CG1 4.47Å; F306-I647 HydrophobicContact CE2-CG2 3.75Å; F306-K661 PolarHBondContact O-NZ 2.78Å
307	K	91.7	Very high	90.5	Very high	119 Å²	119	85.6 Å²	85.6	52%	0.517	42%	0.42	S	S	.	.	H	α-helix	trans	-96.1	-32.9	-167	-179.3	56.7	-168.3	151	0	115.3	A303 Q304 D305	A303-K307 WeakPolarHBondContact O-CB 3.48Å; A303-K307 PolarHBondContact O-N 3.08Å; Q304-K307 PolarHBondContact O-N 2.56Å; Q304-K307 VanDerWaalsContact O-N 3.13Å; D305-K307 VanDerWaalsContact C-N 3.31Å; D305-K307 PolarHBondContact O-N 2.68Å
308	Y	92.8	Very high	89.8	Confident	183 Å²	183	86.6 Å²	86.6	72%	0.718	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.1	-30.2	-166.3	-58.8	-72	0	0	0	115	Q304	Q304-Y308 PolarHBondContact O-N 3.39Å
309	Y	92.8	Very high	89.1	Confident	97 Å²	97	87.2 Å²	87.2	38%	0.38	42%	0.421	S	S	.	.			trans	-66.5	146.5	174.9	179	-93.3	0	0	0	111.5	Q304 D305 D311 L324 K661	Q304-Y309 PolarHBondContact O-N 2.95Å; D305-Y309 WeakPolarHBondContact OD1-CB 3.35Å; Y309-D311 HydrophobicContact CE1-CB 4.11Å; Y309-L324 HydrophobicContact CD1-CD2 3.72Å; Y309-L324 HydrophobicContact CE1-CD2 3.98Å; Y309-K661 WeakPolarHBondContact O-CE 3.43Å; Y309-K661 PolarHBondContact O-NZ 3.14Å
310	D	89.1	Confident	88.8	Confident	70 Å²	70	87.7 Å²	87.7	37%	0.374	43%	0.432	S	S	.	.			trans	-143.3	144.4	160.1	-90.7	-37.7	0	0	0	108.5	A312 P664 R667	D310-A312 PolarHBondContact O-N 2.87Å; D310-P664 HydrophobicContact CB-CG 3.9Å; D310-R667 IonicContact OD1-CZ 2.56Å; D310-R667 VanDerWaalsContact OD1-CZ 3.23Å; D310-R667 IonicContact OD1-NH1 2.81Å; D310-R667 PolarHBondContact OD1-NH1 3.31Å; D310-R667 IonicContact OD1-NH2 2.77Å; D310-R667 PolarHBondContact OD1-NH2 2.67Å; D310-R667 IonicContact OD2-CZ 3.41Å; D310-R667 IonicContact OD2-NH1 2.73Å; D310-R667 IonicContact OD2-NH2 3.23Å; D310-R667 PolarHBondContact OD2-NH2 2.7Å
311	D	88	Confident	88.5	Confident	25 Å²	25	85 Å²	85	13%	0.134	42%	0.418	C	S	.	.			trans	-71.4	99.1	-173.3	-170.9	-17	0	0	0	110.6	Y309 A313 D314 R317 T322	Y309-D311 HydrophobicContact CE1-CB 4.11Å; D311-A313 PolarHBondContact O-N 3.01Å; D311-A313 VanDerWaalsContact O-N 3.15Å; D311-A313 VanDerWaalsContact OD1-CB 3.3Å; D311-A313 WeakPolarHBondContact OD1-CB 3.35Å; D311-A313 PolarHBondContact OD1-N 3.31Å; D311-D314 WeakPolarHBondContact O-CB 3.49Å; D311-D314 PolarHBondContact O-N 2.9Å; D311-R317 VanDerWaalsContact CG-NH1 3.29Å; D311-R317 IonicContact OD1-CZ 2.79Å; D311-R317 IonicContact OD1-NH1 3.92Å; D311-R317 IonicContact OD1-NH2 3.73Å; D311-R317 IonicContact OD2-CZ 3.7Å; D311-R317 IonicContact OD2-NH1 2.85Å; D311-R317 PolarHBondContact OD2-NH1 3.08Å; D311-R317 IonicContact OD2-NH2 2.71Å; D311-R317 PolarHBondContact OD2-NH2 2.85Å; D311-T322 PolarHBondContact OD2-OG1 2.99Å; D311-T322 VanDerWaalsContact OD2-OG1 3.1Å
312	A	87.3	Confident	88.3	Confident	68 Å²	68	80.5 Å²	80.5	56%	0.562	40%	0.396	S	S	*	.	G	3₁₀ helix	trans	-63.1	-17.3	-179.8	0	0	0	0	0	113.6	D310 D314 E315	D310-A312 PolarHBondContact O-N 2.87Å; A312-D314 PolarHBondContact O-N 2.89Å; A312-E315 PolarHBondContact O-N 2.93Å
313	A	86.2	Confident	88.3	Confident	36 Å²	36	78.6 Å²	78.6	30%	0.298	39%	0.386	S	S	.	.	G	3₁₀ helix	trans	-72.9	-16.4	174.5	0	0	0	0	0	112.6	D311 E315 Y316 R317	D311-A313 PolarHBondContact O-N 3.01Å; D311-A313 VanDerWaalsContact O-N 3.15Å; D311-A313 VanDerWaalsContact OD1-CB 3.3Å; D311-A313 WeakPolarHBondContact OD1-CB 3.35Å; D311-A313 PolarHBondContact OD1-N 3.31Å; A313-E315 PolarHBondContact O-N 2.81Å; A313-Y316 CarbonylContact O-C 3.51Å; A313-Y316 PolarHBondContact O-N 2.88Å; A313-R317 WeakPolarHBondContact O-CG 3.08Å; A313-R317 PolarHBondContact O-N 3.31Å
314	D	84.3	Confident	88.3	Confident	5 Å²	5	79.4 Å²	79.4	3%	0.027	39%	0.386	C	S	.	.	G	3₁₀ helix	trans	-66.2	-14	173.4	-92.8	17.5	0	0	0	113.9	D311 A312 Y316 R317 S663 P664 N665	D311-D314 WeakPolarHBondContact O-CB 3.49Å; D311-D314 PolarHBondContact O-N 2.9Å; A312-D314 PolarHBondContact O-N 2.89Å; D314-Y316 VanDerWaalsContact C-N 3.3Å; D314-R317 VanDerWaalsContact O-O 3.13Å; D314-R317 IonicContact OD1-CZ 3.91Å; D314-R317 IonicContact OD1-NH1 3.95Å; D314-R317 PolarHBondContact OD1-NH1 3.1Å; D314-S663 WeakPolarHBondContact OD2-CB 3.32Å; D314-S663 PolarHBondContact OD2-OG 3.49Å; D314-P664 HydrophobicContact CB-CB 4.43Å; D314-P664 WeakPolarHBondContact OD2-CD 3.3Å; D314-N665 HydrophobicContact CB-CB 4.41Å; D314-N665 VanDerWaalsContact CG-ND2 3.35Å; D314-N665 PolarHBondContact O-ND2 2.8Å; D314-N665 VanDerWaalsContact O-ND2 3.09Å; D314-N665 PolarHBondContact O-OD1 2.86Å; D314-N665 WeakPolarHBondContact OD2-CB 3.14Å; D314-N665 PolarHBondContact OD2-N 2.77Å
315	E	83	Confident	88.4	Confident	167 Å²	167	78.2 Å²	78.2	78%	0.78	39%	0.387	S	S	*	.	G	3₁₀ helix	trans	-72.8	-24.9	168.3	-60.6	-162.2	143.6	0	0	112.6	A312 A313	A312-E315 PolarHBondContact O-N 2.93Å; A313-E315 PolarHBondContact O-N 2.81Å
316	Y	84.6	Confident	88.3	Confident	194 Å²	194	76 Å²	76	76%	0.761	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.3	-16.6	-176.2	-57	-91.9	0	0	0	113	A313 D314	A313-Y316 CarbonylContact O-C 3.51Å; A313-Y316 PolarHBondContact O-N 2.88Å; D314-Y316 VanDerWaalsContact C-N 3.3Å
317	R	80.1	Confident	88.4	Confident	82 Å²	82	74.8 Å²	74.8	31%	0.309	37%	0.369	S	S	.	.	S	Bend	trans	-87.9	125.9	167.3	-59.5	172.9	-162.9	136.4	-1.8	109.1	D311 A313 D314 T322 N665	D311-R317 VanDerWaalsContact CG-NH1 3.29Å; D311-R317 IonicContact OD1-CZ 2.79Å; D311-R317 IonicContact OD1-NH1 3.92Å; D311-R317 IonicContact OD1-NH2 3.73Å; D311-R317 IonicContact OD2-CZ 3.7Å; D311-R317 IonicContact OD2-NH1 2.85Å; D311-R317 PolarHBondContact OD2-NH1 3.08Å; D311-R317 IonicContact OD2-NH2 2.71Å; D311-R317 PolarHBondContact OD2-NH2 2.85Å; A313-R317 WeakPolarHBondContact O-CG 3.08Å; A313-R317 PolarHBondContact O-N 3.31Å; D314-R317 VanDerWaalsContact O-O 3.13Å; D314-R317 IonicContact OD1-CZ 3.91Å; D314-R317 IonicContact OD1-NH1 3.95Å; D314-R317 PolarHBondContact OD1-NH1 3.1Å; R317-T322 PolarHBondContact NH1-OG1 2.97Å; R317-N665 PolarHBondContact O-ND2 3.05Å; R317-N665 VanDerWaalsContact O-ND2 3.16Å
318	D	79.6	Confident	88.4	Confident	145 Å²	145	76.1 Å²	76.1	78%	0.775	38%	0.375	S	S	*	.	S	Bend	trans	-53	-71.8	-168.4	-59.4	-83.3	0	0	0	114.8	K668	D318-K668 PolarHBondContact O-NZ 2.98Å; D318-K668 VanDerWaalsContact O-NZ 3.17Å
319	Q	79.2	Confident	88.5	Confident	107 Å²	107	67.4 Å²	67.4	50%	0.5	34%	0.341	S	S	.	.	S	Bend	trans	-129.4	-23.7	-178.3	-66.3	-175.1	-1.1	0	0	112	I618 I624	Q319-I618 HydrophobicContact CB-CG2 3.83Å; Q319-I618 HydrophobicContact CG-CG2 3.97Å; Q319-I624 WeakPolarHBondContact O-CG2 3.18Å
320	V	86.3	Confident	88.4	Confident	89 Å²	89	66 Å²	66	54%	0.539	34%	0.337	S	S	.	.			trans	-57.9	141.5	174.5	179.4	0	0	0	0	110.8	I624 N665	V320-I624 WeakPolarHBondContact CA-O 3.49Å; V320-I624 WeakPolarHBondContact CG1-O 3.39Å; V320-N665 PolarHBondContact O-ND2 3.47Å
321	G	87	Confident	88.5	Confident	3 Å²	3	63.5 Å²	63.5	3%	0.031	33%	0.325	C	S	.	.			trans	-129.2	176.7	175.1	0	0	0	0	0	112.9	I624 C625 S663	G321-I624 PolarHBondContact N-O 3.1Å; G321-I624 VanDerWaalsContact N-O 3.13Å; G321-C625 WeakPolarHBondContact O-CB 3.42Å; G321-S663 WeakPolarHBondContact CA-OG 3.49Å
322	T	92.1	Very high	88.5	Confident	32 Å²	32	68.2 Å²	68.2	20%	0.196	35%	0.349	C	S	.	.			trans	-130.2	162.6	-172.2	55.4	0	0	0	0	112.5	D311 R317 S663 L666	D311-T322 PolarHBondContact OD2-OG1 2.99Å; D311-T322 VanDerWaalsContact OD2-OG1 3.1Å; R317-T322 PolarHBondContact NH1-OG1 2.97Å; T322-S663 PolarHBondContact N-OG 3.2Å; T322-S663 VanDerWaalsContact O-CB 3.3Å; T322-S663 WeakPolarHBondContact O-CB 3.02Å; T322-S663 PolarHBondContact O-N 3.16Å; T322-S663 VanDerWaalsContact O-N 3.11Å; T322-S663 PolarHBondContact O-OG 2.99Å; T322-S663 VanDerWaalsContact OG1-CB 3.31Å; T322-S663 WeakPolarHBondContact OG1-CB 3.5Å; T322-L666 WeakPolarHBondContact O-CD1 3.43Å
323	L	93.7	Very high	88.5	Confident	5 Å²	5	71.7 Å²	71.7	3%	0.026	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	113.2	172	-73.4	168.3	0	0	0	110.2	P325 A611 I613 Q627 V629 I648 L660 K661 L662 L666	L323-P325 WeakPolarHBondContact O-CD 3.37Å; L323-A611 HydrophobicContact CD1-CB 3.9Å; L323-I613 HydrophobicContact CD1-CD1 3.8Å; L323-I613 HydrophobicContact CD2-CD1 3.67Å; L323-I613 HydrophobicContact CG-CD1 3.98Å; L323-Q627 PolarHBondContact O-NE2 3.32Å; L323-Q627 PolarHBondContact O-OE1 2.97Å; L323-V629 HydrophobicContact CD1-CG2 4.49Å; L323-I648 HydrophobicContact CD1-CD1 4.36Å; L323-I648 HydrophobicContact CD2-CD1 4.04Å; L323-I648 HydrophobicContact CD2-CG1 4.46Å; L323-L660 HydrophobicContact CB-CB 4.35Å; L323-L660 HydrophobicContact CB-CD1 4.44Å; L323-L660 HydrophobicContact CD1-CD1 3.98Å; L323-L660 HydrophobicContact CD2-CB 3.97Å; L323-L660 HydrophobicContact CD2-CD1 4.49Å; L323-K661 WeakPolarHBondContact CA-O 3.16Å; L323-L662 HydrophobicContact CD2-CD2 3.66Å; L323-L662 HydrophobicContact CD2-CG 4.43Å; L323-L666 HydrophobicContact CD2-CD1 4.49Å
324	L	94.5	Very high	88.5	Confident	47 Å²	47	70 Å²	70	25%	0.246	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	115	173.4	176.9	68.5	0	0	0	109.1	D305 Y309 L326 L660 K661	D305-L324 HydrophobicContact CB-CD2 4.17Å; Y309-L324 HydrophobicContact CD1-CD2 3.72Å; Y309-L324 HydrophobicContact CE1-CD2 3.98Å; L324-L326 HydrophobicContact CD2-CD2 4.19Å; L324-L326 HydrophobicContact CG-CD2 4.4Å; L324-L326 PolarHBondContact O-N 2.9Å; L324-L660 CarbonylContact O-C 3.6Å; L324-L660 WeakPolarHBondContact O-CA 3.42Å; L324-K661 HydrophobicContact CB-CB 4.32Å; L324-K661 PolarHBondContact N-O 3.26Å; L324-K661 PolarHBondContact O-N 3.08Å
325	P	94.4	Very high	88.4	Confident	74 Å²	74	74.3 Å²	74.3	48%	0.481	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	125.7	175.5	29.4	-34.1	0	0	0	111.2	L323 L660	L323-P325 WeakPolarHBondContact O-CD 3.37Å; P325-L660 HydrophobicContact CB-CD2 3.92Å
326	L	94.3	Very high	88.4	Confident	9 Å²	9	77.7 Å²	77.7	5%	0.047	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	-127.8	174.8	-60.7	177.2	0	0	0	109.2	I302 D305 F306 L324 I647 S659 K661	I302-L326 HydrophobicContact CG2-CB 3.72Å; I302-L326 HydrophobicContact CG2-CD2 3.89Å; I302-L326 HydrophobicContact CG2-CG 4.39Å; D305-L326 HydrophobicContact CB-CD2 4Å; F306-L326 HydrophobicContact CB-CD1 3.88Å; F306-L326 HydrophobicContact CB-CD2 4.5Å; F306-L326 HydrophobicContact CD2-CD1 3.89Å; F306-L326 HydrophobicContact CG-CD1 4.36Å; L324-L326 HydrophobicContact CD2-CD2 4.19Å; L324-L326 HydrophobicContact CG-CD2 4.4Å; L324-L326 PolarHBondContact O-N 2.9Å; L326-I647 HydrophobicContact CD1-CG2 4.1Å; L326-S659 PolarHBondContact N-O 3.43Å; L326-K661 HydrophobicContact CD1-CB 3.84Å; L326-K661 HydrophobicContact CG-CB 4.16Å
327	W	94.9	Very high	88.8	Confident	14 Å²	14	69 Å²	69	5%	0.053	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	146.6	-178.5	-54.9	-76	0	0	0	113.7	I302 A303 F306 F329 L374 P377 S659	I302-W327 HydrophobicContact CG2-CD2 3.91Å; I302-W327 HydrophobicContact CG2-CG 4.05Å; I302-W327 HydrophobicContact CG2-CZ2 4.18Å; A303-W327 HydrophobicContact CB-CZ2 4.32Å; F306-W327 HydrophobicContact CB-CH2 3.51Å; F306-W327 HydrophobicContact CB-CZ2 4.3Å; F306-W327 HydrophobicContact CB-CZ3 4.03Å; F306-W327 AromaticContact CD1-CH2 3.81Å; F306-W327 HydrophobicContact CD1-CH2 3.81Å; F306-W327 HydrophobicContact CD1-CZ3 4.48Å; F306-W327 HydrophobicContact CD2-CH2 4.03Å; F306-W327 AromaticContact CD2-CZ3 3.92Å; F306-W327 HydrophobicContact CD2-CZ3 3.92Å; F306-W327 AromaticContact CG-CH2 3.51Å; F306-W327 HydrophobicContact CG-CH2 3.51Å; F306-W327 AromaticContact CG-CZ3 3.89Å; F306-W327 HydrophobicContact CG-CZ3 3.89Å; W327-F329 HydrophobicContact CB-CD2 4.42Å; W327-F329 HydrophobicContact CB-CE1 4.47Å; W327-F329 HydrophobicContact CB-CE2 3.63Å; W327-F329 HydrophobicContact CB-CZ 3.64Å; W327-F329 HydrophobicContact CG-CZ 4.3Å; W327-L374 HydrophobicContact CE3-CD2 3.95Å; W327-L374 HydrophobicContact CZ3-CB 4.42Å; W327-L374 HydrophobicContact CZ3-CD1 4.19Å; W327-L374 HydrophobicContact CZ3-CD2 4.06Å; W327-L374 HydrophobicContact CZ3-CG 4.45Å; W327-P377 HydrophobicContact CB-CB 4.03Å; W327-P377 HydrophobicContact CG-CB 4.2Å; W327-P377 HydrophobicContact CG-CG 4.47Å; W327-S659 PolarHBondContact O-N 2.91Å
328	K	93.4	Very high	89.4	Confident	147 Å²	147	65.7 Å²	65.7	64%	0.639	32%	0.318	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.6	123	168.5	-62.1	178.8	-177.3	173.5	0	108.1	I657 I658	K328-I657 CarbonylContact C-O 3.23Å; K328-I657 WeakPolarHBondContact CA-O 3.42Å; K328-I658 HydrophobicContact CG-CG1 4.31Å; K328-I658 HydrophobicContact CG-CG2 4.32Å
329	F	94.2	Very high	90.2	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	128	-178.9	-54.7	-97.1	0	0	0	108.7	W327 F352 Y372 L374 P377 I657	W327-F329 HydrophobicContact CB-CD2 4.42Å; W327-F329 HydrophobicContact CB-CE1 4.47Å; W327-F329 HydrophobicContact CB-CE2 3.63Å; W327-F329 HydrophobicContact CB-CZ 3.64Å; W327-F329 HydrophobicContact CG-CZ 4.3Å; F329-F352 HydrophobicContact CD1-CE1 4.37Å; F329-F352 AromaticContact CD1-CZ 3.97Å; F329-F352 HydrophobicContact CD1-CZ 3.97Å; F329-F352 HydrophobicContact CD2-CE1 4.5Å; F329-F352 AromaticContact CD2-CZ 3.81Å; F329-F352 HydrophobicContact CD2-CZ 3.81Å; F329-F352 HydrophobicContact CE1-CE1 4.02Å; F329-F352 HydrophobicContact CE1-CZ 4.06Å; F329-F352 HydrophobicContact CE2-CE1 4.18Å; F329-F352 AromaticContact CE2-CZ 3.92Å; F329-F352 HydrophobicContact CE2-CZ 3.92Å; F329-F352 AromaticContact CG-CZ 3.86Å; F329-F352 HydrophobicContact CG-CZ 3.86Å; F329-F352 AromaticContact CZ-CE1 3.95Å; F329-F352 HydrophobicContact CZ-CE1 3.95Å; F329-F352 HydrophobicContact CZ-CZ 4.06Å; F329-Y372 HydrophobicContact CB-CD1 4.07Å; F329-Y372 HydrophobicContact CB-CD2 4.43Å; F329-Y372 HydrophobicContact CB-CE1 4.1Å; F329-Y372 HydrophobicContact CB-CE2 4.46Å; F329-Y372 HydrophobicContact CB-CG 4.23Å; F329-Y372 AromaticContact CD1-CD1 3.85Å; F329-Y372 HydrophobicContact CD1-CD1 3.85Å; F329-Y372 AromaticContact CD1-CG 3.91Å; F329-Y372 HydrophobicContact CD1-CG 3.91Å; F329-Y372 HydrophobicContact CG-CD1 4.41Å; F329-Y372 HydrophobicContact CG-CG 4.38Å; F329-L374 HydrophobicContact CE1-CD2 4.48Å; F329-L374 HydrophobicContact CE2-CD2 4.48Å; F329-L374 HydrophobicContact CZ-CD2 3.68Å; F329-P377 HydrophobicContact CD1-CB 3.91Å; F329-P377 HydrophobicContact CE1-CB 3.67Å; F329-P377 HydrophobicContact CZ-CB 4.23Å; F329-I657 HydrophobicContact CB-CB 4.21Å; F329-I657 HydrophobicContact CB-CD1 3.9Å; F329-I657 HydrophobicContact CD2-CB 4.32Å; F329-I657 PolarHBondContact N-O 3.2Å; F329-I657 PolarHBondContact O-N 3.12Å
330	Q	91	Very high	90.9	Very high	66 Å²	66	53.8 Å²	53.8	31%	0.308	26%	0.258	S	S	.	.			trans	-152.3	144.9	179.5	-176.3	172.7	55.7	0	0	110	K335 H656	Q330-K335 HydrophobicContact CG-CG 4.16Å; Q330-K335 VanDerWaalsContact OE1-CE 3.23Å; Q330-H656 PolarHBondContact NE2-CD2 2.84Å; Q330-H656 PolarHBondContact NE2-NE2 3.19Å
331	N	90.7	Very high	91.4	Very high	19 Å²	19	49.9 Å²	49.9	10%	0.102	24%	0.235	C	C	.	.			trans	-126.1	133.9	171.6	172	-0.9	0	0	0	108.3	K333 A334 K335 L370 Y372 M383	N331-K333 PolarHBondContact O-N 3.27Å; N331-K333 PolarHBondContact OD1-N 3.05Å; N331-A334 HydrophobicContact CB-CB 4.13Å; N331-A334 WeakPolarHBondContact O-CA 3.47Å; N331-A334 WeakPolarHBondContact O-CB 3.27Å; N331-A334 PolarHBondContact O-N 2.86Å; N331-K335 PolarHBondContact O-N 2.91Å; N331-L370 HydrophobicContact CB-CD1 3.77Å; N331-L370 WeakPolarHBondContact ND2-CD1 3.49Å; N331-Y372 WeakPolarHBondContact CB-OH 3.13Å; N331-M383 WeakPolarHBondContact ND2-CE 3.44Å
332	D	88.4	Confident	91.8	Very high	123 Å²	123	50.6 Å²	50.6	66%	0.658	24%	0.238	S	C	*	.	G	3₁₀ helix	trans	-52.9	-38.8	178.7	-77	-42.7	0	0	0	113.3	A334 K335	D332-A334 PolarHBondContact O-N 3.09Å; D332-K335 PolarHBondContact O-N 3.07Å; D332-K335 WeakPolarHBondContact OD1-CE 3.3Å; D332-K335 IonicContact OD1-NZ 2.61Å; D332-K335 PolarHBondContact OD1-NZ 3.26Å
333	K	86.5	Confident	92	Very high	142 Å²	142	49.7 Å²	49.7	62%	0.617	23%	0.233	S	C	*	.	G	3₁₀ helix	trans	-65.8	-20	177.6	-61.3	178.6	-174.8	173.8	0	112.9	N331 M368 M383	N331-K333 PolarHBondContact O-N 3.27Å; N331-K333 PolarHBondContact OD1-N 3.05Å; K333-M368 VanDerWaalsContact C-CE 3.44Å; K333-M368 HydrophobicContact CB-CE 3.75Å; K333-M368 HydrophobicContact CB-SD 4.01Å; K333-M368 WeakPolarHBondContact O-CE 3.41Å; K333-M383 HydrophobicContact CD-SD 3.93Å; K333-M383 PolarHBondContact NZ-SD 3.01Å; K333-M383 VanDerWaalsContact NZ-SD 3.42Å
334	A	85.5	Confident	92.2	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-99.7	-9.5	-175.1	0	0	0	0	0	114	N331 D332 R336 L337 Y356 M368 L370	N331-A334 HydrophobicContact CB-CB 4.13Å; N331-A334 WeakPolarHBondContact O-CA 3.47Å; N331-A334 WeakPolarHBondContact O-CB 3.27Å; N331-A334 PolarHBondContact O-N 2.86Å; D332-A334 PolarHBondContact O-N 3.09Å; A334-R336 PolarHBondContact O-N 3.15Å; A334-L337 PolarHBondContact O-N 3.22Å; A334-Y356 HydrophobicContact CB-CD1 3.85Å; A334-Y356 HydrophobicContact CB-CE1 3.55Å; A334-Y356 HydrophobicContact CB-CE2 4.44Å; A334-Y356 HydrophobicContact CB-CG 4.37Å; A334-M368 HydrophobicContact CB-CE 3.63Å; A334-L370 HydrophobicContact CB-CD1 4.41Å
335	K	82.4	Confident	92.2	Very high	95 Å²	95	47.8 Å²	47.8	41%	0.413	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	2.4	-174.3	-74.7	-176.8	170.2	168.8	0	117.1	Q330 N331 D332 R654	Q330-K335 HydrophobicContact CG-CG 4.16Å; Q330-K335 VanDerWaalsContact OE1-CE 3.23Å; N331-K335 PolarHBondContact O-N 2.91Å; D332-K335 PolarHBondContact O-N 3.07Å; D332-K335 WeakPolarHBondContact OD1-CE 3.3Å; D332-K335 IonicContact OD1-NZ 2.61Å; D332-K335 PolarHBondContact OD1-NZ 3.26Å; K335-R654 CarbonylContact C-O 3.45Å
336	R	84.7	Confident	92.1	Very high	238 Å²	238	46.5 Å²	46.5	90%	0.898	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-131.8	4.9	177.5	-63.3	-170.6	179.7	-157.8	0.7	113.5	A334	A334-R336 PolarHBondContact O-N 3.15Å
337	L	91.6	Very high	91.9	Very high	13 Å²	13	52.9 Å²	52.9	7%	0.068	24%	0.242	C	C	.	.	S	Bend	trans	-107.3	140.7	178.3	-55.6	179.9	0	0	0	108.5	A334 Y356 G357 S365 R366 M368 R654 G655	A334-L337 PolarHBondContact O-N 3.22Å; L337-Y356 HydrophobicContact CB-CD1 4.07Å; L337-Y356 HydrophobicContact CB-CG 4.47Å; L337-G357 CarbonylContact C-O 3.57Å; L337-G357 WeakPolarHBondContact CA-O 3.42Å; L337-G357 WeakPolarHBondContact CB-O 3.4Å; L337-S365 WeakPolarHBondContact CD2-OG 3.36Å; L337-R366 WeakPolarHBondContact CD1-O 3.31Å; L337-R366 WeakPolarHBondContact CD2-O 3.4Å; L337-M368 HydrophobicContact CD1-CE 3.91Å; L337-M368 HydrophobicContact CD1-CG 4.3Å; L337-R654 CarbonylContact O-C 3.48Å; L337-G655 WeakPolarHBondContact O-CA 3.39Å; L337-G655 PolarHBondContact O-N 3.16Å
338	S	93.4	Very high	91.8	Very high	11 Å²	11	58.1 Å²	58.1	8%	0.077	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	145.7	169.9	50.4	0	0	0	0	110.1	T340 Y356 G357 Y359	S338-T340 PolarHBondContact O-N 3.31Å; S338-Y356 WeakPolarHBondContact O-CA 3.29Å; S338-G357 PolarHBondContact N-O 3.13Å; S338-G357 PolarHBondContact O-N 2.79Å; S338-G357 VanDerWaalsContact O-N 3.11Å; S338-G357 PolarHBondContact OG-O 3.43Å; S338-Y359 VanDerWaalsContact OG-CD2 3.32Å; S338-Y359 WeakPolarHBondContact OG-CD2 3.49Å
339	V	95.6	Very high	91.6	Very high	0 Å²	0	58 Å²	58	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	119.4	162.9	177.2	0	0	0	0	107.9	L342 V354 G355 Y356 T637 D652 I657	V339-L342 HydrophobicContact CG1-CD2 3.87Å; V339-L342 HydrophobicContact CG1-CG 4.06Å; V339-V354 HydrophobicContact CG1-CG1 3.88Å; V339-V354 HydrophobicContact CG2-CG1 4.19Å; V339-G355 WeakPolarHBondContact CA-O 3.24Å; V339-Y356 HydrophobicContact CG2-CD1 4.49Å; V339-Y356 HydrophobicContact CG2-CE1 4.06Å; V339-T637 WeakPolarHBondContact O-CB 3.12Å; V339-T637 PolarHBondContact O-OG1 3.04Å; V339-D652 PolarHBondContact N-O 3.05Å; V339-I657 HydrophobicContact CG2-CG1 4.22Å
340	T	95.3	Very high	91.6	Very high	2 Å²	2	59.6 Å²	59.6	1%	0.012	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	-11.2	-176	49.3	0	0	0	0	113.9	S338 G355 Y359 V390 M391 H638	S338-T340 PolarHBondContact O-N 3.31Å; T340-G355 PolarHBondContact N-O 2.63Å; T340-G355 VanDerWaalsContact OG1-C 3.24Å; T340-G355 PolarHBondContact OG1-O 2.73Å; T340-Y359 WeakPolarHBondContact CA-OH 3.5Å; T340-Y359 HydrophobicContact CG2-CD2 4.23Å; T340-Y359 HydrophobicContact CG2-CE2 3.69Å; T340-V390 VanDerWaalsContact CB-O 3.29Å; T340-V390 WeakPolarHBondContact CB-O 3.46Å; T340-V390 WeakPolarHBondContact CG2-O 3.36Å; T340-V390 PolarHBondContact OG1-O 3.3Å; T340-M391 HydrophobicContact CG2-CE 4.44Å; T340-M391 HydrophobicContact CG2-SD 4.38Å; T340-M391 VanDerWaalsContact O-O 3.08Å; T340-H638 VanDerWaalsContact C-CD2 3.47Å; T340-H638 PolarHBondContact O-NE2 3.06Å; T340-H638 VanDerWaalsContact O-NE2 3.09Å
341	A	95.7	Very high	91.7	Very high	8 Å²	8	57 Å²	57	7%	0.066	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.3	150.6	173.3	0	0	0	0	0	111.7	V354 G355 L393	A341-V354 WeakPolarHBondContact O-CA 3.12Å; A341-G355 PolarHBondContact O-N 2.69Å; A341-L393 HydrophobicContact CB-CD2 3.86Å; A341-L393 HydrophobicContact CB-CG 3.8Å
342	L	96.5	Very high	92	Very high	18 Å²	18	56.1 Å²	56.1	9%	0.094	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	132.9	171.9	-64.5	175.9	0	0	0	109.3	V339 A353 V354 H638 Q640 I649 I657	V339-L342 HydrophobicContact CG1-CD2 3.87Å; V339-L342 HydrophobicContact CG1-CG 4.06Å; L342-A353 WeakPolarHBondContact CA-O 3.45Å; L342-V354 HydrophobicContact CD2-CB 4.3Å; L342-V354 HydrophobicContact CD2-CG1 3.98Å; L342-V354 HydrophobicContact CD2-CG2 3.82Å; L342-H638 HydrophobicContact CD1-CB 3.86Å; L342-H638 HydrophobicContact CG-CB 4.02Å; L342-Q640 HydrophobicContact CB-CB 4.39Å; L342-Q640 PolarHBondContact O-OE1 3.16Å; L342-I649 HydrophobicContact CB-CD1 4.3Å; L342-I649 HydrophobicContact CD1-CD1 4.26Å; L342-I649 HydrophobicContact CD1-CG1 4.18Å; L342-I649 HydrophobicContact CD2-CD1 4.33Å; L342-I657 HydrophobicContact CD2-CG1 4.33Å; L342-I657 HydrophobicContact CD2-CG2 4.45Å
343	C	96.3	Very high	92.4	Very high	13 Å²	13	50.2 Å²	50.2	9%	0.088	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	119.1	166.8	-163.7	0	0	0	0	112.4	F352 A353 L393 I395	C343-F352 WeakPolarHBondContact O-CA 3.48Å; C343-A353 PolarHBondContact N-O 3.05Å; C343-A353 PolarHBondContact O-N 3.46Å; C343-L393 HydrophobicContact CB-CD1 3.37Å; C343-I395 HydrophobicContact CB-CD1 4.27Å; C343-I395 HydrophobicContact CB-CG1 4.19Å; C343-I395 WeakPolarHBondContact O-CD1 3.43Å
344	W	96.4	Very high	92.9	Very high	8 Å²	8	43.5 Å²	43.5	3%	0.03	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	141.2	167.4	-76.6	104.7	0	0	0	111.5	P346 F352 L374 Q640 F641 N642 I647 I649	W344-P346 WeakPolarHBondContact O-CD 3.43Å; W344-F352 HydrophobicContact CD2-CB 4.02Å; W344-F352 HydrophobicContact CE3-CB 3.82Å; W344-F352 HydrophobicContact CE3-CD1 4.36Å; W344-F352 HydrophobicContact CG-CB 4.48Å; W344-F352 AromaticContact CH2-CD1 3.93Å; W344-F352 HydrophobicContact CH2-CD1 3.93Å; W344-F352 HydrophobicContact CZ3-CB 4.17Å; W344-F352 AromaticContact CZ3-CD1 3.83Å; W344-F352 HydrophobicContact CZ3-CD1 3.83Å; W344-F352 HydrophobicContact CZ3-CG 4.41Å; W344-L374 HydrophobicContact CH2-CD1 4.34Å; W344-L374 HydrophobicContact CH2-CD2 4.22Å; W344-L374 HydrophobicContact CH2-CG 4.45Å; W344-Q640 PolarHBondContact NE1-O 2.92Å; W344-F641 PolarHBondContact NE1-O 2.87Å; W344-N642 HydrophobicContact CD2-CB 4.33Å; W344-N642 HydrophobicContact CH2-CB 4.41Å; W344-N642 VanDerWaalsContact CH2-ND2 3.35Å; W344-N642 WeakPolarHBondContact CH2-ND2 3.13Å; W344-N642 HydrophobicContact CZ2-CB 3.84Å; W344-N642 VanDerWaalsContact CZ3-ND2 3.35Å; W344-N642 WeakPolarHBondContact CZ3-ND2 3.43Å; W344-I647 HydrophobicContact CH2-CD1 3.91Å; W344-I647 HydrophobicContact CZ2-CD1 4Å; W344-I647 HydrophobicContact CZ2-CG1 4.44Å; W344-I649 HydrophobicContact CD2-CD1 4.41Å; W344-I649 HydrophobicContact CH2-CG2 4.38Å; W344-I649 HydrophobicContact CZ2-CB 4.48Å; W344-I649 HydrophobicContact CZ2-CD1 3.98Å; W344-I649 HydrophobicContact CZ2-CG1 4.02Å; W344-I649 HydrophobicContact CZ2-CG2 3.75Å
345	N	95.3	Very high	93.4	Very high	3 Å²	3	43.5 Å²	43.5	2%	0.016	19%	0.189	C	C	.	.			trans	-70.6	124.5	174.6	-170.2	-78.3	0	0	0	110.5	K347 Y348 L351 I395 P400	N345-K347 PolarHBondContact O-N 3.05Å; N345-K347 PolarHBondContact OD1-N 3.47Å; N345-K347 VanDerWaalsContact OD1-N 3.09Å; N345-Y348 PolarHBondContact O-N 2.99Å; N345-Y348 WeakPolarHBondContact OD1-CD2 3.33Å; N345-Y348 PolarHBondContact OD1-N 3.15Å; N345-L351 HydrophobicContact CB-CB 4.09Å; N345-L351 HydrophobicContact CB-CD2 4.25Å; N345-L351 HydrophobicContact CB-CG 4.39Å; N345-L351 VanDerWaalsContact CB-O 3.26Å; N345-L351 WeakPolarHBondContact CB-O 3.5Å; N345-L351 PolarHBondContact N-O 3.1Å; N345-I395 HydrophobicContact CB-CD1 4.35Å; N345-P400 WeakPolarHBondContact ND2-CB 3.43Å; N345-P400 PolarHBondContact ND2-O 3.28Å; N345-P400 VanDerWaalsContact OD1-CB 3.27Å; N345-P400 WeakPolarHBondContact OD1-CB 3.48Å
346	P	91.8	Very high	94	Very high	47 Å²	47	39 Å²	39	31%	0.305	17%	0.169	S	C	.	.	S	Bend	trans	-59.9	-20.2	-176.3	-29.2	38	0	0	0	115.3	W344 V397	W344-P346 WeakPolarHBondContact O-CD 3.43Å; P346-V397 HydrophobicContact CB-CG1 4.37Å; P346-V397 HydrophobicContact CG-CG2 4.4Å
347	K	91.1	Very high	94.5	Very high	144 Å²	144	27.6 Å²	27.6	63%	0.626	13%	0.126	S	C	*	.	S	Bend	trans	-108.1	-37.8	-179.5	-174.6	169.9	-176	167.1	0	113.5	N345 P400	N345-K347 PolarHBondContact O-N 3.05Å; N345-K347 PolarHBondContact OD1-N 3.47Å; N345-K347 VanDerWaalsContact OD1-N 3.09Å; K347-P400 HydrophobicContact CB-CB 4.22Å; K347-P400 HydrophobicContact CB-CG 3.62Å; K347-P400 HydrophobicContact CD-CG 4.16Å
348	Y	91.4	Very high	94.5	Very high	124 Å²	124	27.6 Å²	27.6	49%	0.486	13%	0.127	S	C	.	.			trans	-99.7	98.1	-176.8	-61	-59.7	0	0	0	111.1	N345 D350 L351	N345-Y348 PolarHBondContact O-N 2.99Å; N345-Y348 WeakPolarHBondContact OD1-CD2 3.33Å; N345-Y348 PolarHBondContact OD1-N 3.15Å; Y348-D350 PolarHBondContact O-N 2.98Å; Y348-L351 HydrophobicContact CD2-CD2 4.07Å; Y348-L351 PolarHBondContact O-N 3.45Å
349	R	90.6	Very high	94.3	Very high	145 Å²	145	31.6 Å²	31.6	55%	0.547	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-13.6	-174.6	-54.1	175.8	-171.2	177.8	-2.9	115.2	N642 I644	R349-N642 PolarHBondContact O-ND2 2.82Å; R349-I644 HydrophobicContact CG-CD1 4.14Å; R349-I644 VanDerWaalsContact NE-CD1 3.28Å
350	D	92.6	Very high	93.9	Very high	33 Å²	33	34.5 Å²	34.5	18%	0.176	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.1	-2	-178.8	69.8	-82.1	0	0	0	114	Y348 S373 L374 K375	Y348-D350 PolarHBondContact O-N 2.98Å; D350-S373 CarbonylContact O-C 3.51Å; D350-S373 WeakPolarHBondContact O-CA 3.47Å; D350-S373 PolarHBondContact OD2-OG 3.12Å; D350-L374 HydrophobicContact CB-CB 4.09Å; D350-L374 HydrophobicContact CB-CD1 4.27Å; D350-L374 HydrophobicContact CB-CG 4.14Å; D350-L374 PolarHBondContact O-N 3.08Å; D350-K375 IonicContact OD1-NZ 3.68Å; D350-K375 PolarHBondContact OD1-NZ 3.33Å; D350-K375 IonicContact OD2-NZ 2.71Å; D350-K375 PolarHBondContact OD2-NZ 3.31Å
351	L	94.5	Very high	93.4	Very high	11 Å²	11	41.8 Å²	41.8	6%	0.058	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	129.7	-175.7	-174.8	73.4	0	0	0	110.3	N345 Y348 L371 Y372	N345-L351 HydrophobicContact CB-CB 4.09Å; N345-L351 HydrophobicContact CB-CD2 4.25Å; N345-L351 HydrophobicContact CB-CG 4.39Å; N345-L351 VanDerWaalsContact CB-O 3.26Å; N345-L351 WeakPolarHBondContact CB-O 3.5Å; N345-L351 PolarHBondContact N-O 3.1Å; Y348-L351 HydrophobicContact CD2-CD2 4.07Å; Y348-L351 PolarHBondContact O-N 3.45Å; L351-L371 HydrophobicContact CD1-CB 4.21Å; L351-L371 HydrophobicContact CD2-CD2 4.3Å; L351-L371 HydrophobicContact CG-CD2 4.46Å; L351-Y372 WeakPolarHBondContact CA-O 3.45Å
352	F	96.4	Very high	93	Very high	0 Å²	0	49 Å²	49	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	146.4	173.8	63.4	-82	0	0	0	111.7	F329 C343 W344 V354 L371 Y372 L374 I649 I657	F329-F352 HydrophobicContact CD1-CE1 4.37Å; F329-F352 AromaticContact CD1-CZ 3.97Å; F329-F352 HydrophobicContact CD1-CZ 3.97Å; F329-F352 HydrophobicContact CD2-CE1 4.5Å; F329-F352 AromaticContact CD2-CZ 3.81Å; F329-F352 HydrophobicContact CD2-CZ 3.81Å; F329-F352 HydrophobicContact CE1-CE1 4.02Å; F329-F352 HydrophobicContact CE1-CZ 4.06Å; F329-F352 HydrophobicContact CE2-CE1 4.18Å; F329-F352 AromaticContact CE2-CZ 3.92Å; F329-F352 HydrophobicContact CE2-CZ 3.92Å; F329-F352 AromaticContact CG-CZ 3.86Å; F329-F352 HydrophobicContact CG-CZ 3.86Å; F329-F352 AromaticContact CZ-CE1 3.95Å; F329-F352 HydrophobicContact CZ-CE1 3.95Å; F329-F352 HydrophobicContact CZ-CZ 4.06Å; C343-F352 WeakPolarHBondContact O-CA 3.48Å; W344-F352 HydrophobicContact CD2-CB 4.02Å; W344-F352 HydrophobicContact CE3-CB 3.82Å; W344-F352 HydrophobicContact CE3-CD1 4.36Å; W344-F352 HydrophobicContact CG-CB 4.48Å; W344-F352 AromaticContact CH2-CD1 3.93Å; W344-F352 HydrophobicContact CH2-CD1 3.93Å; W344-F352 HydrophobicContact CZ3-CB 4.17Å; W344-F352 AromaticContact CZ3-CD1 3.83Å; W344-F352 HydrophobicContact CZ3-CD1 3.83Å; W344-F352 HydrophobicContact CZ3-CG 4.41Å; F352-V354 HydrophobicContact CD2-CG2 3.62Å; F352-V354 HydrophobicContact CE2-CG2 3.53Å; F352-L371 CarbonylContact O-C 3.54Å; F352-L371 VanDerWaalsContact O-CA 3.29Å; F352-L371 WeakPolarHBondContact O-CA 3.29Å; F352-Y372 HydrophobicContact CE2-CD2 4.13Å; F352-Y372 HydrophobicContact CZ-CD2 4.33Å; F352-Y372 HydrophobicContact CZ-CG 4.33Å; F352-Y372 PolarHBondContact N-O 3.49Å; F352-Y372 PolarHBondContact O-N 2.95Å; F352-L374 HydrophobicContact CE1-CD2 4.34Å; F352-I649 HydrophobicContact CB-CD1 4Å; F352-I649 HydrophobicContact CD1-CD1 4.48Å; F352-I649 HydrophobicContact CD2-CD1 3.59Å; F352-I649 HydrophobicContact CE2-CD1 4.13Å; F352-I649 HydrophobicContact CG-CD1 3.79Å; F352-I649 HydrophobicContact CZ-CG2 4.41Å; F352-I657 HydrophobicContact CE2-CG1 4.41Å; F352-I657 HydrophobicContact CE2-CG2 4.19Å
353	A	96.6	Very high	92.4	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	142.5	173.6	0	0	0	0	0	110.9	L342 C343 L369 L371 L393 I395	L342-A353 WeakPolarHBondContact CA-O 3.45Å; C343-A353 PolarHBondContact N-O 3.05Å; C343-A353 PolarHBondContact O-N 3.46Å; A353-L369 HydrophobicContact CB-CD1 4.23Å; A353-L371 HydrophobicContact CB-CD1 4.23Å; A353-L371 HydrophobicContact CB-CD2 4.49Å; A353-L371 HydrophobicContact CB-CG 3.9Å; A353-L393 HydrophobicContact CB-CD1 3.66Å; A353-L393 HydrophobicContact CB-CD2 4.2Å; A353-I395 HydrophobicContact CB-CD1 3.88Å; A353-I395 HydrophobicContact CB-CG1 4.44Å
354	V	96.9	Very high	91.8	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	124	178.9	-172.5	0	0	0	0	109.3	V339 A341 L342 F352 Y356 L370 Y372 I657	V339-V354 HydrophobicContact CG1-CG1 3.88Å; V339-V354 HydrophobicContact CG2-CG1 4.19Å; A341-V354 WeakPolarHBondContact O-CA 3.12Å; L342-V354 HydrophobicContact CD2-CB 4.3Å; L342-V354 HydrophobicContact CD2-CG1 3.98Å; L342-V354 HydrophobicContact CD2-CG2 3.82Å; F352-V354 HydrophobicContact CD2-CG2 3.62Å; F352-V354 HydrophobicContact CE2-CG2 3.53Å; V354-Y356 HydrophobicContact CB-CD2 4.29Å; V354-Y356 HydrophobicContact CB-CE2 3.72Å; V354-Y356 HydrophobicContact CG1-CD2 3.85Å; V354-Y356 HydrophobicContact CG1-CE1 4.32Å; V354-Y356 HydrophobicContact CG1-CE2 3.37Å; V354-L370 PolarHBondContact N-O 3.01Å; V354-L370 PolarHBondContact O-N 3.02Å; V354-L370 VanDerWaalsContact O-N 3.1Å; V354-Y372 HydrophobicContact CB-CE2 4.4Å; V354-Y372 HydrophobicContact CG2-CD2 3.74Å; V354-Y372 HydrophobicContact CG2-CE2 3.96Å; V354-I657 HydrophobicContact CG1-CD1 4.09Å; V354-I657 HydrophobicContact CG1-CG1 4.21Å; V354-I657 HydrophobicContact CG2-CD1 3.9Å; V354-I657 HydrophobicContact CG2-CG1 4.07Å
355	G	96.1	Very high	91.2	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	132.1	168.9	0	0	0	0	0	109.7	V339 T340 A341	V339-G355 WeakPolarHBondContact CA-O 3.24Å; T340-G355 PolarHBondContact N-O 2.63Å; T340-G355 VanDerWaalsContact OG1-C 3.24Å; T340-G355 PolarHBondContact OG1-O 2.73Å; A341-G355 PolarHBondContact O-N 2.69Å
356	Y	95.7	Very high	91	Very high	0 Å²	0	67.2 Å²	67.2	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	132.3	173	-68.9	-90.5	0	0	0	110.3	A334 L337 S338 V339 V354 G367 M368 L370 Y372 V390 G655 I657	A334-Y356 HydrophobicContact CB-CD1 3.85Å; A334-Y356 HydrophobicContact CB-CE1 3.55Å; A334-Y356 HydrophobicContact CB-CE2 4.44Å; A334-Y356 HydrophobicContact CB-CG 4.37Å; L337-Y356 HydrophobicContact CB-CD1 4.07Å; L337-Y356 HydrophobicContact CB-CG 4.47Å; S338-Y356 WeakPolarHBondContact O-CA 3.29Å; V339-Y356 HydrophobicContact CG2-CD1 4.49Å; V339-Y356 HydrophobicContact CG2-CE1 4.06Å; V354-Y356 HydrophobicContact CB-CD2 4.29Å; V354-Y356 HydrophobicContact CB-CE2 3.72Å; V354-Y356 HydrophobicContact CG1-CD2 3.85Å; V354-Y356 HydrophobicContact CG1-CE1 4.32Å; V354-Y356 HydrophobicContact CG1-CE2 3.37Å; Y356-G367 WeakPolarHBondContact O-CA 3.21Å; Y356-M368 PolarHBondContact N-O 2.85Å; Y356-M368 PolarHBondContact O-N 2.94Å; Y356-M368 VanDerWaalsContact O-N 3.08Å; Y356-L370 HydrophobicContact CD2-CB 4.48Å; Y356-L370 HydrophobicContact CD2-CD1 4.09Å; Y356-L370 HydrophobicContact CD2-CG 3.97Å; Y356-L370 HydrophobicContact CE2-CB 3.95Å; Y356-L370 HydrophobicContact CE2-CD1 3.45Å; Y356-L370 VanDerWaalsContact CE2-CD1 3.45Å; Y356-L370 HydrophobicContact CE2-CG 3.65Å; Y356-Y372 HydrophobicContact CE2-CE2 4.34Å; Y356-Y372 PolarHBondContact OH-OH 2.87Å; Y356-V390 WeakPolarHBondContact O-CB 3.14Å; Y356-V390 PolarHBondContact O-N 3.39Å; Y356-G655 WeakPolarHBondContact CE1-O 3.28Å; Y356-G655 PolarHBondContact OH-O 3.1Å; Y356-I657 VanDerWaalsContact OH-CD1 3.3Å; Y356-I657 WeakPolarHBondContact OH-CD1 3.32Å
357	G	93.9	Very high	91	Very high	0 Å²	0	65 Å²	65	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.5	-147.5	179.9	0	0	0	0	0	111.7	L337 S338	L337-G357 CarbonylContact C-O 3.57Å; L337-G357 WeakPolarHBondContact CA-O 3.42Å; L337-G357 WeakPolarHBondContact CB-O 3.4Å; S338-G357 PolarHBondContact N-O 3.13Å; S338-G357 PolarHBondContact O-N 2.79Å; S338-G357 VanDerWaalsContact O-N 3.11Å; S338-G357 PolarHBondContact OG-O 3.43Å
358	S	92.4	Very high	91.1	Very high	13 Å²	13	58.9 Å²	58.9	9%	0.091	26%	0.261	C	S	.	.			trans	-147.7	125	174.9	-173	0	0	0	0	110	D360 K363 Q364	S358-D360 VanDerWaalsContact C-N 3.29Å; S358-D360 PolarHBondContact OG-N 2.88Å; S358-K363 WeakPolarHBondContact CB-O 3.43Å; S358-K363 PolarHBondContact OG-O 2.87Å; S358-Q364 PolarHBondContact O-NE2 2.67Å; S358-Q364 VanDerWaalsContact O-NE2 3.08Å
359	Y	88.3	Confident	91.2	Very high	94 Å²	94	53 Å²	53	37%	0.369	24%	0.238	S	C	.	.			trans	-79.6	-11.9	166.8	-61.3	-85.4	0	0	0	112.6	S338 T340 F361 M391 W440 T637 H638	S338-Y359 VanDerWaalsContact OG-CD2 3.32Å; S338-Y359 WeakPolarHBondContact OG-CD2 3.49Å; T340-Y359 WeakPolarHBondContact CA-OH 3.5Å; T340-Y359 HydrophobicContact CG2-CD2 4.23Å; T340-Y359 HydrophobicContact CG2-CE2 3.69Å; Y359-F361 PolarHBondContact O-N 2.94Å; Y359-M391 HydrophobicContact CD1-CE 4.1Å; Y359-M391 HydrophobicContact CE1-CE 4.21Å; Y359-W440 HydrophobicContact CD1-CH2 4.47Å; Y359-W440 HydrophobicContact CD1-CZ3 4.02Å; Y359-W440 HydrophobicContact CE1-CZ3 4Å; Y359-T637 HydrophobicContact CE2-CG2 4.04Å; Y359-H638 PolarHBondContact OH-NE2 3.42Å
360	D	87.2	Confident	91.4	Very high	61 Å²	61	46.1 Å²	46.1	33%	0.326	21%	0.212	S	C	.	.			trans	-83.4	102.2	-179	-174.8	-25.8	0	0	0	109.5	S358 M362 K363 Q364	S358-D360 VanDerWaalsContact C-N 3.29Å; S358-D360 PolarHBondContact OG-N 2.88Å; D360-M362 PolarHBondContact O-N 3.46Å; D360-M362 VanDerWaalsContact O-N 3.15Å; D360-M362 PolarHBondContact OD1-N 2.83Å; D360-K363 HydrophobicContact CB-CB 4.08Å; D360-K363 CarbonylContact O-C 3.58Å; D360-K363 WeakPolarHBondContact O-CA 3.28Å; D360-K363 PolarHBondContact O-N 2.83Å; D360-K363 PolarHBondContact OD1-N 2.99Å; D360-K363 IonicContact OD1-NZ 3.08Å; D360-K363 WeakPolarHBondContact OD2-CD 3.43Å; D360-K363 WeakPolarHBondContact OD2-CE 3.4Å; D360-K363 IonicContact OD2-NZ 2.81Å; D360-K363 PolarHBondContact OD2-NZ 2.97Å; D360-Q364 PolarHBondContact O-N 3.41Å
361	F	84.8	Confident	91.5	Very high	155 Å²	155	44.6 Å²	44.6	68%	0.68	20%	0.204	S	C	*	.	G	3₁₀ helix	trans	-49.3	-38.7	178.4	-177.3	-88	0	0	0	112.9	Y359 K363 Y408	Y359-F361 PolarHBondContact O-N 2.94Å; F361-K363 VanDerWaalsContact C-N 3.3Å; F361-K363 PolarHBondContact O-N 3.31Å; F361-Y408 VanDerWaalsContact CD2-OH 3.28Å; F361-Y408 WeakPolarHBondContact CD2-OH 3.29Å
362	M	87.3	Confident	91.6	Very high	159 Å²	159	44 Å²	44	78%	0.783	20%	0.201	S	C	*	.	G	3₁₀ helix	trans	-81.8	-7.6	-179.6	-63.4	-61.9	-68.2	0	0	113.2	D360	D360-M362 PolarHBondContact O-N 3.46Å; D360-M362 VanDerWaalsContact O-N 3.15Å; D360-M362 PolarHBondContact OD1-N 2.83Å
363	K	84.5	Confident	91.4	Very high	136 Å²	136	44.1 Å²	44.1	59%	0.591	20%	0.201	S	C	*	.	G	3₁₀ helix	trans	-132.7	46.3	178.6	-55.7	-178.7	-161.6	65.2	0	111	S358 D360 F361	S358-K363 WeakPolarHBondContact CB-O 3.43Å; S358-K363 PolarHBondContact OG-O 2.87Å; D360-K363 HydrophobicContact CB-CB 4.08Å; D360-K363 CarbonylContact O-C 3.58Å; D360-K363 WeakPolarHBondContact O-CA 3.28Å; D360-K363 PolarHBondContact O-N 2.83Å; D360-K363 PolarHBondContact OD1-N 2.99Å; D360-K363 IonicContact OD1-NZ 3.08Å; D360-K363 WeakPolarHBondContact OD2-CD 3.43Å; D360-K363 WeakPolarHBondContact OD2-CE 3.4Å; D360-K363 IonicContact OD2-NZ 2.81Å; D360-K363 PolarHBondContact OD2-NZ 2.97Å; F361-K363 VanDerWaalsContact C-N 3.3Å; F361-K363 PolarHBondContact O-N 3.31Å
364	Q	83.5	Confident	91.2	Very high	61 Å²	61	45 Å²	45	29%	0.285	21%	0.206	S	C	.	.			trans	-66	143.2	171.8	-166.3	49.7	-92.5	0	0	110.6	S358 D360 Y408	S358-Q364 PolarHBondContact O-NE2 2.67Å; S358-Q364 VanDerWaalsContact O-NE2 3.08Å; D360-Q364 PolarHBondContact O-N 3.41Å; Q364-Y408 HydrophobicContact CG-CD1 3.87Å; Q364-Y408 HydrophobicContact CG-CE1 4.05Å; Q364-Y408 HydrophobicContact CG-CG 4.36Å
365	S	84.7	Confident	91	Very high	45 Å²	45	49.9 Å²	49.9	32%	0.315	23%	0.227	S	C	.	.			trans	-152.5	-177.9	-170.7	61.1	0	0	0	0	112.1	L337 G389	L337-S365 WeakPolarHBondContact CD2-OG 3.36Å; S365-G389 PolarHBondContact O-N 2.59Å
366	R	90.8	Very high	90.7	Very high	184 Å²	184	50.5 Å²	50.5	69%	0.694	23%	0.23	S	C	*	.			trans	-72.4	130.6	-178.6	-68.8	-176.4	-175.5	174.6	1.3	110.9	L337 S386	L337-R366 WeakPolarHBondContact CD1-O 3.31Å; L337-R366 WeakPolarHBondContact CD2-O 3.4Å; R366-S386 WeakPolarHBondContact CB-O 3.36Å
367	G	91.1	Very high	90.5	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	23%	0.232	C	C	.	.			trans	-79	158.6	174.6	0	0	0	0	0	113.3	Y356 S386 S388	Y356-G367 WeakPolarHBondContact O-CA 3.21Å; G367-S386 PolarHBondContact O-N 2.95Å; G367-S388 VanDerWaalsContact CA-O 3.27Å; G367-S388 WeakPolarHBondContact CA-O 3.39Å; G367-S388 PolarHBondContact N-O 3.27Å
368	M	93.5	Very high	90.2	Very high	15 Å²	15	52.6 Å²	52.6	7%	0.074	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	146.4	168.1	-65.5	-165.5	-65.3	0	0	110.9	K333 A334 L337 Y356 L370 F384	K333-M368 VanDerWaalsContact C-CE 3.44Å; K333-M368 HydrophobicContact CB-CE 3.75Å; K333-M368 HydrophobicContact CB-SD 4.01Å; K333-M368 WeakPolarHBondContact O-CE 3.41Å; A334-M368 HydrophobicContact CB-CE 3.63Å; L337-M368 HydrophobicContact CD1-CE 3.91Å; L337-M368 HydrophobicContact CD1-CG 4.3Å; Y356-M368 PolarHBondContact N-O 2.85Å; Y356-M368 PolarHBondContact O-N 2.94Å; Y356-M368 VanDerWaalsContact O-N 3.08Å; M368-L370 HydrophobicContact CB-CD2 4.33Å; M368-L370 HydrophobicContact CB-CG 4.47Å; M368-L370 HydrophobicContact CE-CD1 4.49Å; M368-L370 HydrophobicContact SD-CD2 4.46Å; M368-F384 WeakPolarHBondContact CA-O 3.4Å
369	L	94.8	Very high	90.1	Very high	2 Å²	2	58.1 Å²	58.1	1%	0.01	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	113	164.7	173.4	70.4	0	0	0	107.1	A353 L371 F384 L393 V403 V405 Y415	A353-L369 HydrophobicContact CB-CD1 4.23Å; L369-L371 HydrophobicContact CD1-CD1 4.26Å; L369-L371 HydrophobicContact CD2-CD1 4.3Å; L369-L371 HydrophobicContact CG-CD1 3.97Å; L369-F384 HydrophobicContact CB-CB 4.32Å; L369-F384 HydrophobicContact CB-CD2 4.41Å; L369-F384 HydrophobicContact CD2-CD2 3.88Å; L369-F384 HydrophobicContact CD2-CE2 4.4Å; L369-F384 HydrophobicContact CG-CD2 4.19Å; L369-F384 PolarHBondContact N-O 2.86Å; L369-F384 PolarHBondContact O-N 3.14Å; L369-L393 HydrophobicContact CD1-CD2 3.8Å; L369-V403 HydrophobicContact CD1-CG1 4.44Å; L369-V403 HydrophobicContact CD2-CG1 4.32Å; L369-V405 HydrophobicContact CD1-CG2 4.49Å; L369-V405 HydrophobicContact CD2-CG2 4.1Å; L369-Y415 HydrophobicContact CD2-CD1 4.33Å; L369-Y415 HydrophobicContact CD2-CD2 3.92Å; L369-Y415 HydrophobicContact CD2-CG 3.8Å
370	L	94.4	Very high	90.3	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	142.2	173.9	-52.5	-175.1	0	0	0	109.1	N331 A334 V354 Y356 M368 Y372 P380 Y382 M383	N331-L370 HydrophobicContact CB-CD1 3.77Å; N331-L370 WeakPolarHBondContact ND2-CD1 3.49Å; A334-L370 HydrophobicContact CB-CD1 4.41Å; V354-L370 PolarHBondContact N-O 3.01Å; V354-L370 PolarHBondContact O-N 3.02Å; V354-L370 VanDerWaalsContact O-N 3.1Å; Y356-L370 HydrophobicContact CD2-CB 4.48Å; Y356-L370 HydrophobicContact CD2-CD1 4.09Å; Y356-L370 HydrophobicContact CD2-CG 3.97Å; Y356-L370 HydrophobicContact CE2-CB 3.95Å; Y356-L370 HydrophobicContact CE2-CD1 3.45Å; Y356-L370 VanDerWaalsContact CE2-CD1 3.45Å; Y356-L370 HydrophobicContact CE2-CG 3.65Å; M368-L370 HydrophobicContact CB-CD2 4.33Å; M368-L370 HydrophobicContact CB-CG 4.47Å; M368-L370 HydrophobicContact CE-CD1 4.49Å; M368-L370 HydrophobicContact SD-CD2 4.46Å; L370-Y372 HydrophobicContact CB-CD2 4.43Å; L370-Y372 HydrophobicContact CB-CE2 3.9Å; L370-Y372 HydrophobicContact CD1-CE2 4.16Å; L370-Y372 WeakPolarHBondContact CD1-OH 3.45Å; L370-P380 HydrophobicContact CB-CB 4.06Å; L370-P380 HydrophobicContact CB-CG 4.47Å; L370-P380 HydrophobicContact CD1-CG 4.35Å; L370-P380 HydrophobicContact CD2-CG 4.34Å; L370-Y382 WeakPolarHBondContact CA-O 3.46Å; L370-M383 HydrophobicContact CD2-CB 3.91Å; L370-M383 HydrophobicContact CD2-CE 4.39Å; L370-M383 HydrophobicContact CD2-CG 3.58Å
371	L	94.9	Very high	90.4	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	121.3	169.2	-74.5	76.5	0	0	0	109.1	L351 F352 A353 L369 P380 E381 Y382 F384 L417	L351-L371 HydrophobicContact CD1-CB 4.21Å; L351-L371 HydrophobicContact CD2-CD2 4.3Å; L351-L371 HydrophobicContact CG-CD2 4.46Å; F352-L371 CarbonylContact O-C 3.54Å; F352-L371 VanDerWaalsContact O-CA 3.29Å; F352-L371 WeakPolarHBondContact O-CA 3.29Å; A353-L371 HydrophobicContact CB-CD1 4.23Å; A353-L371 HydrophobicContact CB-CD2 4.49Å; A353-L371 HydrophobicContact CB-CG 3.9Å; L369-L371 HydrophobicContact CD1-CD1 4.26Å; L369-L371 HydrophobicContact CD2-CD1 4.3Å; L369-L371 HydrophobicContact CG-CD1 3.97Å; L371-P380 CarbonylContact O-C 3.56Å; L371-P380 VanDerWaalsContact O-CA 3.3Å; L371-P380 WeakPolarHBondContact O-CA 3.36Å; L371-P380 VanDerWaalsContact O-CB 3.32Å; L371-P380 WeakPolarHBondContact O-CB 3.5Å; L371-E381 PolarHBondContact O-N 2.96Å; L371-Y382 HydrophobicContact CB-CD2 4.19Å; L371-Y382 HydrophobicContact CD2-CD2 4.25Å; L371-Y382 PolarHBondContact N-O 2.83Å; L371-F384 HydrophobicContact CD1-CE2 4.39Å; L371-L417 HydrophobicContact CD1-CD2 4.05Å; L371-L417 HydrophobicContact CD2-CD1 3.43Å; L371-L417 VanDerWaalsContact CD2-CD1 3.43Å; L371-L417 HydrophobicContact CD2-CD2 3.78Å; L371-L417 HydrophobicContact CD2-CG 4.27Å
372	Y	95.1	Very high	90.7	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	146.6	177.6	-63.8	-88.1	0	0	0	110.2	F329 N331 L351 F352 V354 Y356 L370 P380 I657	F329-Y372 HydrophobicContact CB-CD1 4.07Å; F329-Y372 HydrophobicContact CB-CD2 4.43Å; F329-Y372 HydrophobicContact CB-CE1 4.1Å; F329-Y372 HydrophobicContact CB-CE2 4.46Å; F329-Y372 HydrophobicContact CB-CG 4.23Å; F329-Y372 AromaticContact CD1-CD1 3.85Å; F329-Y372 HydrophobicContact CD1-CD1 3.85Å; F329-Y372 AromaticContact CD1-CG 3.91Å; F329-Y372 HydrophobicContact CD1-CG 3.91Å; F329-Y372 HydrophobicContact CG-CD1 4.41Å; F329-Y372 HydrophobicContact CG-CG 4.38Å; N331-Y372 WeakPolarHBondContact CB-OH 3.13Å; L351-Y372 WeakPolarHBondContact CA-O 3.45Å; F352-Y372 HydrophobicContact CE2-CD2 4.13Å; F352-Y372 HydrophobicContact CZ-CD2 4.33Å; F352-Y372 HydrophobicContact CZ-CG 4.33Å; F352-Y372 PolarHBondContact N-O 3.49Å; F352-Y372 PolarHBondContact O-N 2.95Å; V354-Y372 HydrophobicContact CB-CE2 4.4Å; V354-Y372 HydrophobicContact CG2-CD2 3.74Å; V354-Y372 HydrophobicContact CG2-CE2 3.96Å; Y356-Y372 HydrophobicContact CE2-CE2 4.34Å; Y356-Y372 PolarHBondContact OH-OH 2.87Å; L370-Y372 HydrophobicContact CB-CD2 4.43Å; L370-Y372 HydrophobicContact CB-CE2 3.9Å; L370-Y372 HydrophobicContact CD1-CE2 4.16Å; L370-Y372 WeakPolarHBondContact CD1-OH 3.45Å; Y372-P380 HydrophobicContact CD1-CB 3.83Å; Y372-P380 HydrophobicContact CE1-CB 3.84Å; Y372-P380 HydrophobicContact CE1-CG 4.22Å; Y372-P380 HydrophobicContact CG-CB 4.27Å; Y372-I657 HydrophobicContact CD2-CD1 4.23Å; Y372-I657 HydrophobicContact CE2-CD1 3.71Å
373	S	93.8	Very high	90.9	Very high	1 Å²	1	45.9 Å²	45.9	1%	0.007	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	141.9	171.6	167.6	0	0	0	0	109.3	D350 K375 N376	D350-S373 CarbonylContact O-C 3.51Å; D350-S373 WeakPolarHBondContact O-CA 3.47Å; D350-S373 PolarHBondContact OD2-OG 3.12Å; S373-K375 PolarHBondContact O-N 2.98Å; S373-K375 WeakPolarHBondContact OG-CB 3.48Å; S373-K375 WeakPolarHBondContact OG-CG 3.49Å; S373-K375 PolarHBondContact OG-N 2.91Å; S373-K375 VanDerWaalsContact OG-N 3.11Å; S373-N376 CarbonylContact O-C 3.53Å; S373-N376 VanDerWaalsContact O-C 3.23Å; S373-N376 PolarHBondContact O-N 3.34Å
374	L	92.7	Very high	91.3	Very high	18 Å²	18	39.8 Å²	39.8	9%	0.094	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-17.8	171.3	-55.5	-178	0	0	0	112.5	F306 W327 F329 W344 D350 F352 N376 I647	F306-L374 HydrophobicContact CZ-CD1 4.34Å; W327-L374 HydrophobicContact CE3-CD2 3.95Å; W327-L374 HydrophobicContact CZ3-CB 4.42Å; W327-L374 HydrophobicContact CZ3-CD1 4.19Å; W327-L374 HydrophobicContact CZ3-CD2 4.06Å; W327-L374 HydrophobicContact CZ3-CG 4.45Å; F329-L374 HydrophobicContact CE1-CD2 4.48Å; F329-L374 HydrophobicContact CE2-CD2 4.48Å; F329-L374 HydrophobicContact CZ-CD2 3.68Å; W344-L374 HydrophobicContact CH2-CD1 4.34Å; W344-L374 HydrophobicContact CH2-CD2 4.22Å; W344-L374 HydrophobicContact CH2-CG 4.45Å; D350-L374 HydrophobicContact CB-CB 4.09Å; D350-L374 HydrophobicContact CB-CD1 4.27Å; D350-L374 HydrophobicContact CB-CG 4.14Å; D350-L374 PolarHBondContact O-N 3.08Å; F352-L374 HydrophobicContact CE1-CD2 4.34Å; L374-N376 VanDerWaalsContact C-N 3.32Å; L374-I647 HydrophobicContact CD1-CD1 4.04Å
375	K	91.6	Very high	91.7	Very high	104 Å²	104	40.3 Å²	40.3	45%	0.452	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-14.1	174.5	-53	-172.6	-172.1	81.9	0	113.9	R292 D350 S373	R292-K375 HydrophobicContact CG-CB 4.09Å; D350-K375 IonicContact OD1-NZ 3.68Å; D350-K375 PolarHBondContact OD1-NZ 3.33Å; D350-K375 IonicContact OD2-NZ 2.71Å; D350-K375 PolarHBondContact OD2-NZ 3.31Å; S373-K375 PolarHBondContact O-N 2.98Å; S373-K375 WeakPolarHBondContact OG-CB 3.48Å; S373-K375 WeakPolarHBondContact OG-CG 3.49Å; S373-K375 PolarHBondContact OG-N 2.91Å; S373-K375 VanDerWaalsContact OG-N 3.11Å
376	N	90.9	Very high	92	Very high	12 Å²	12	39.1 Å²	39.1	6%	0.064	19%	0.187	C	C	.	.	B	Isolated β-bridge	trans	-151.5	92.1	175.8	-174.5	-6.5	0	0	0	109.3	E291 R292 N295 S373 L374 S378 F379	E291-N376 PolarHBondContact OE1-ND2 3.11Å; R292-N376 HydrophobicContact CG-CB 4.47Å; N295-N376 PolarHBondContact ND2-OD1 3.16Å; N295-N376 PolarHBondContact OD1-OD1 3.29Å; S373-N376 CarbonylContact O-C 3.53Å; S373-N376 VanDerWaalsContact O-C 3.23Å; S373-N376 PolarHBondContact O-N 3.34Å; L374-N376 VanDerWaalsContact C-N 3.32Å; N376-S378 VanDerWaalsContact C-N 3.31Å; N376-S378 PolarHBondContact OD1-N 3.43Å; N376-F379 PolarHBondContact OD1-N 2.93Å
377	P	90.1	Very high	91.9	Very high	5 Å²	5	37.2 Å²	37.2	3%	0.032	19%	0.191	C	C	.	.	S	Bend	trans	-75.8	-21.6	178.1	32.7	-36.5	0	0	0	112.9	Y299 W327 F329	Y299-P377 HydrophobicContact CD2-CG 3.54Å; Y299-P377 HydrophobicContact CE2-CG 3.45Å; Y299-P377 VanDerWaalsContact CE2-CG 3.45Å; Y299-P377 HydrophobicContact CG-CG 4.34Å; W327-P377 HydrophobicContact CB-CB 4.03Å; W327-P377 HydrophobicContact CG-CB 4.2Å; W327-P377 HydrophobicContact CG-CG 4.47Å; F329-P377 HydrophobicContact CD1-CB 3.91Å; F329-P377 HydrophobicContact CE1-CB 3.67Å; F329-P377 HydrophobicContact CZ-CB 4.23Å
378	S	88.6	Confident	92	Very high	39 Å²	39	37.9 Å²	37.9	27%	0.273	20%	0.195	S	C	.	.	S	Bend	trans	-75	-38.1	-175.4	-52.6	0	0	0	0	113	N295 N376	N295-S378 WeakPolarHBondContact OD1-CB 3.42Å; N295-S378 PolarHBondContact OD1-OG 2.83Å; N376-S378 VanDerWaalsContact C-N 3.31Å; N376-S378 PolarHBondContact OD1-N 3.43Å
379	F	90.4	Very high	92	Very high	129 Å²	129	37.1 Å²	37.1	57%	0.566	19%	0.192	S	C	*	.	S	Bend	trans	-134	134.7	-177.9	-65.2	-75.1	0	0	0	112.4	E291 N376	E291-F379 VanDerWaalsContact OE1-CD2 3.28Å; E291-F379 WeakPolarHBondContact OE1-CD2 3.31Å; N376-F379 PolarHBondContact OD1-N 2.93Å
380	P	92.3	Very high	92.1	Very high	17 Å²	17	37.1 Å²	37.1	11%	0.11	19%	0.191	C	C	.	.			trans	-70.2	139.1	176.3	30.5	-35.2	0	0	0	111.2	L370 L371 Y372 Y382 M383	L370-P380 HydrophobicContact CB-CB 4.06Å; L370-P380 HydrophobicContact CB-CG 4.47Å; L370-P380 HydrophobicContact CD1-CG 4.35Å; L370-P380 HydrophobicContact CD2-CG 4.34Å; L371-P380 CarbonylContact O-C 3.56Å; L371-P380 VanDerWaalsContact O-CA 3.3Å; L371-P380 WeakPolarHBondContact O-CA 3.36Å; L371-P380 VanDerWaalsContact O-CB 3.32Å; L371-P380 WeakPolarHBondContact O-CB 3.5Å; Y372-P380 HydrophobicContact CD1-CB 3.83Å; Y372-P380 HydrophobicContact CE1-CB 3.84Å; Y372-P380 HydrophobicContact CE1-CG 4.22Å; Y372-P380 HydrophobicContact CG-CB 4.27Å; P380-Y382 VanDerWaalsContact C-N 3.31Å; P380-Y382 PolarHBondContact O-N 3.46Å; P380-M383 HydrophobicContact CG-CE 3.74Å
381	E	89.8	Confident	92.1	Very high	50 Å²	50	37.3 Å²	37.3	23%	0.234	19%	0.192	C	C	.	.	S	Bend	trans	-69.7	-29.7	-178.4	-177.2	163.6	-171.4	0	0	112.9	K288 R292 L371	K288-E381 PolarHBondContact NZ-O 3.08Å; R292-E381 IonicContact CZ-OE1 3.66Å; R292-E381 IonicContact CZ-OE2 3.01Å; R292-E381 IonicContact NH1-OE1 2.6Å; R292-E381 IonicContact NH2-OE1 3.72Å; R292-E381 PolarHBondContact NH2-OE1 3.42Å; R292-E381 IonicContact NH2-OE2 3.1Å; R292-E381 PolarHBondContact NH2-OE2 2.98Å; L371-E381 PolarHBondContact O-N 2.96Å
382	Y	91.1	Very high	92.2	Very high	75 Å²	75	37.6 Å²	37.6	29%	0.294	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	142.6	171.8	-59.3	-88.8	0	0	0	110.9	L370 L371 P380 F384 L417	L370-Y382 WeakPolarHBondContact CA-O 3.46Å; L371-Y382 HydrophobicContact CB-CD2 4.19Å; L371-Y382 HydrophobicContact CD2-CD2 4.25Å; L371-Y382 PolarHBondContact N-O 2.83Å; P380-Y382 VanDerWaalsContact C-N 3.31Å; P380-Y382 PolarHBondContact O-N 3.46Å; Y382-F384 HydrophobicContact CD1-CZ 4.38Å; Y382-L417 HydrophobicContact CD1-CD2 4.42Å; Y382-L417 HydrophobicContact CD2-CD2 4.4Å; Y382-L417 HydrophobicContact CE1-CB 4.17Å; Y382-L417 WeakPolarHBondContact CE1-O 3.2Å; Y382-L417 HydrophobicContact CE2-CB 4.47Å; Y382-L417 HydrophobicContact CG-CD2 4.21Å
383	M	91.7	Very high	92.3	Very high	70 Å²	70	38.2 Å²	38.2	35%	0.345	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	116.9	-178.3	175.9	177.9	-49.7	0	0	109.6	N331 K333 L370 P380	N331-M383 WeakPolarHBondContact ND2-CE 3.44Å; K333-M383 HydrophobicContact CD-SD 3.93Å; K333-M383 PolarHBondContact NZ-SD 3.01Å; K333-M383 VanDerWaalsContact NZ-SD 3.42Å; L370-M383 HydrophobicContact CD2-CB 3.91Å; L370-M383 HydrophobicContact CD2-CE 4.39Å; L370-M383 HydrophobicContact CD2-CG 3.58Å; P380-M383 HydrophobicContact CG-CE 3.74Å
384	F	92.4	Very high	92.4	Very high	9 Å²	9	39.6 Å²	39.6	4%	0.039	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	129.7	174.7	-50.3	-91.5	0	0	0	109.6	M368 L369 L371 Y382 Y415 L417 H421	M368-F384 WeakPolarHBondContact CA-O 3.4Å; L369-F384 HydrophobicContact CB-CB 4.32Å; L369-F384 HydrophobicContact CB-CD2 4.41Å; L369-F384 HydrophobicContact CD2-CD2 3.88Å; L369-F384 HydrophobicContact CD2-CE2 4.4Å; L369-F384 HydrophobicContact CG-CD2 4.19Å; L369-F384 PolarHBondContact N-O 2.86Å; L369-F384 PolarHBondContact O-N 3.14Å; L371-F384 HydrophobicContact CD1-CE2 4.39Å; Y382-F384 HydrophobicContact CD1-CZ 4.38Å; F384-Y415 HydrophobicContact CB-CD1 3.96Å; F384-Y415 HydrophobicContact CB-CE1 3.79Å; F384-Y415 AromaticContact CD1-CD1 3.77Å; F384-Y415 HydrophobicContact CD1-CD1 3.77Å; F384-Y415 HydrophobicContact CD1-CE1 4.26Å; F384-Y415 HydrophobicContact CD2-CD1 4.34Å; F384-Y415 HydrophobicContact CE1-CD1 4.36Å; F384-Y415 AromaticContact CG-CD1 3.77Å; F384-Y415 HydrophobicContact CG-CD1 3.77Å; F384-Y415 HydrophobicContact CG-CE1 4.13Å; F384-L417 HydrophobicContact CE2-CD2 3.69Å; F384-L417 HydrophobicContact CZ-CD2 3.91Å; F384-H421 WeakPolarHBondContact CE1-O 3.35Å
385	S	91.3	Very high	92.6	Very high	71 Å²	71	38.9 Å²	38.9	50%	0.497	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	132.8	173.5	58.1	0	0	0	0	111.4	S422	S385-S422 PolarHBondContact N-OG 3.21Å
386	S	90.7	Very high	92.8	Very high	20 Å²	20	34.1 Å²	34.1	14%	0.14	18%	0.18	C	C	.	.			trans	-105.6	161.9	170.6	-173.2	0	0	0	0	111.3	R366 G367 S388 H407	R366-S386 WeakPolarHBondContact CB-O 3.36Å; G367-S386 PolarHBondContact O-N 2.95Å; S386-S388 WeakPolarHBondContact CB-O 3.39Å; S386-S388 PolarHBondContact OG-N 2.81Å; S386-S388 PolarHBondContact OG-O 2.91Å; S386-H407 VanDerWaalsContact CB-CE1 3.49Å; S386-H407 WeakPolarHBondContact CB-CE1 3.44Å; S386-H407 PolarHBondContact OG-CE1 3.41Å
387	N	89.5	Confident	92.8	Very high	145 Å²	145	38 Å²	38	78%	0.775	20%	0.204	S	C	*	.	S	Bend	trans	-75.9	-29.7	173.3	-68.2	-24.9	0	0	0	112.2
388	S	92.6	Very high	92.8	Very high	13 Å²	13	43.7 Å²	43.7	9%	0.091	24%	0.235	C	C	.	.	S	Bend	trans	-114.4	153.4	-178.9	-173.1	0	0	0	0	110.6	G367 S386 V390 H407 D409	G367-S388 VanDerWaalsContact CA-O 3.27Å; G367-S388 WeakPolarHBondContact CA-O 3.39Å; G367-S388 PolarHBondContact N-O 3.27Å; S386-S388 WeakPolarHBondContact CB-O 3.39Å; S386-S388 PolarHBondContact OG-N 2.81Å; S386-S388 PolarHBondContact OG-O 2.91Å; S388-V390 PolarHBondContact O-N 3.18Å; S388-H407 PolarHBondContact O-ND1 2.96Å; S388-D409 PolarHBondContact OG-N 3.27Å
389	G	93.9	Very high	93	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.235	C	C	.	.			trans	-51	136.7	176.3	0	0	0	0	0	111.6	S365 H407 Y408	S365-G389 PolarHBondContact O-N 2.59Å; G389-H407 VanDerWaalsContact O-CA 3.27Å; G389-H407 WeakPolarHBondContact O-CA 3.32Å; G389-H407 PolarHBondContact O-ND1 2.71Å; G389-Y408 PolarHBondContact O-N 2.88Å
390	V	96	Very high	93	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.006	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	131	164.2	172.4	0	0	0	0	106.6	T340 Y356 S388 V405	T340-V390 VanDerWaalsContact CB-O 3.29Å; T340-V390 WeakPolarHBondContact CB-O 3.46Å; T340-V390 WeakPolarHBondContact CG2-O 3.36Å; T340-V390 PolarHBondContact OG1-O 3.3Å; Y356-V390 WeakPolarHBondContact O-CB 3.14Å; Y356-V390 PolarHBondContact O-N 3.39Å; S388-V390 PolarHBondContact O-N 3.18Å; V390-V405 HydrophobicContact CB-CG1 4.31Å; V390-V405 HydrophobicContact CG1-CG1 3.71Å; V390-V405 HydrophobicContact CG2-CG1 3.81Å
391	M	95.4	Very high	93	Very high	4 Å²	4	41.5 Å²	41.5	2%	0.02	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	-26.7	179.5	-60.3	-50.7	-61.6	0	0	112.4	T340 Y359 G406 Y408 V439 W440	T340-M391 HydrophobicContact CG2-CE 4.44Å; T340-M391 HydrophobicContact CG2-SD 4.38Å; T340-M391 VanDerWaalsContact O-O 3.08Å; Y359-M391 HydrophobicContact CD1-CE 4.1Å; Y359-M391 HydrophobicContact CE1-CE 4.21Å; M391-G406 PolarHBondContact N-O 2.82Å; M391-Y408 HydrophobicContact CE-CD2 4.37Å; M391-Y408 HydrophobicContact CG-CD2 4.22Å; M391-Y408 HydrophobicContact SD-CD2 3.95Å; M391-V439 VanDerWaalsContact CB-O 3.31Å; M391-V439 WeakPolarHBondContact CB-O 3.29Å; M391-W440 HydrophobicContact CE-CE3 4.06Å; M391-W440 HydrophobicContact CE-CH2 3.92Å; M391-W440 HydrophobicContact CE-CZ3 3.36Å
392	C	96.3	Very high	93.2	Very high	6 Å²	6	39.6 Å²	39.6	4%	0.041	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	161.5	172.8	58.6	0	0	0	0	112	V405 G406 V439 W440 Q441 V442	C392-V405 CarbonylContact O-C 3.57Å; C392-V405 WeakPolarHBondContact O-CA 3.36Å; C392-G406 PolarHBondContact N-O 2.89Å; C392-G406 PolarHBondContact O-N 3.07Å; C392-G406 VanDerWaalsContact SG-CA 3.54Å; C392-V439 PolarHBondContact SG-O 3.07Å; C392-W440 VanDerWaalsContact CB-O 3.29Å; C392-W440 WeakPolarHBondContact CB-O 3.49Å; C392-Q441 WeakPolarHBondContact SG-CA 3.46Å; C392-V442 HydrophobicContact CB-CG2 4.48Å; C392-V442 PolarHBondContact SG-N 2.85Å
393	L	97	Very high	93.4	Very high	13 Å²	13	36 Å²	36	7%	0.068	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	156.7	172.2	70.2	93.2	0	0	0	112	A341 C343 A353 L369 V403 A404 V405	A341-L393 HydrophobicContact CB-CD2 3.86Å; A341-L393 HydrophobicContact CB-CG 3.8Å; C343-L393 HydrophobicContact CB-CD1 3.37Å; A353-L393 HydrophobicContact CB-CD1 3.66Å; A353-L393 HydrophobicContact CB-CD2 4.2Å; L369-L393 HydrophobicContact CD1-CD2 3.8Å; L393-V403 HydrophobicContact CB-CG1 4.36Å; L393-V403 HydrophobicContact CD1-CG1 4.35Å; L393-A404 CarbonylContact C-O 3.6Å; L393-A404 WeakPolarHBondContact CA-O 3.14Å; L393-A404 WeakPolarHBondContact CB-O 3.46Å; L393-V405 HydrophobicContact CB-CG2 4.15Å
394	D	97	Very high	93.6	Very high	31 Å²	31	32.7 Å²	32.7	17%	0.166	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	150.1	169.1	-171.4	30.5	0	0	0	112.7	V403 A404 V442 K443 W444	D394-V403 CarbonylContact O-C 3.55Å; D394-V403 WeakPolarHBondContact O-CA 3.44Å; D394-A404 PolarHBondContact N-O 2.61Å; D394-A404 PolarHBondContact O-N 3.11Å; D394-V442 HydrophobicContact CB-CG2 4.3Å; D394-K443 WeakPolarHBondContact OD2-CA 3.42Å; D394-W444 PolarHBondContact O-NE1 3.21Å; D394-W444 VanDerWaalsContact O-NE1 3.13Å; D394-W444 PolarHBondContact OD2-N 2.89Å
395	I	96.2	Very high	93.8	Very high	2 Å²	2	32.3 Å²	32.3	1%	0.01	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	126.3	-174.4	-55	178.5	0	0	0	109.9	C343 N345 A353 V397 P400 V403	C343-I395 HydrophobicContact CB-CD1 4.27Å; C343-I395 HydrophobicContact CB-CG1 4.19Å; C343-I395 WeakPolarHBondContact O-CD1 3.43Å; N345-I395 HydrophobicContact CB-CD1 4.35Å; A353-I395 HydrophobicContact CB-CD1 3.88Å; A353-I395 HydrophobicContact CB-CG1 4.44Å; I395-V397 PolarHBondContact O-N 3Å; I395-P400 HydrophobicContact CG2-CB 4.41Å; I395-V403 HydrophobicContact CG1-CG1 4.29Å; I395-V403 HydrophobicContact CG1-CG2 4.24Å
396	H	94.9	Very high	94.1	Very high	4 Å²	4	28.9 Å²	28.9	2%	0.019	16%	0.155	C	C	.	.			trans	-65.4	130.8	-178	-167.3	-42.7	0	0	0	112	D398 H399 P400 L402 W444	H396-D398 PolarHBondContact ND1-N 3.49Å; H396-H399 HydrophobicContact CB-CB 4.24Å; H396-H399 PolarHBondContact ND1-N 3.02Å; H396-H399 CarbonylContact O-C 3.58Å; H396-H399 VanDerWaalsContact O-C 3.3Å; H396-P400 WeakPolarHBondContact O-CA 3.49Å; H396-L402 HydrophobicContact CB-CB 4.19Å; H396-L402 PolarHBondContact N-O 3.27Å; H396-W444 HydrophobicContact CB-CD2 3.93Å; H396-W444 HydrophobicContact CB-CE3 4.49Å; H396-W444 HydrophobicContact CB-CG 4.04Å; H396-W444 AromaticContact CD2-CD2 3.74Å; H396-W444 AromaticContact CD2-CE3 3.42Å; H396-W444 VanDerWaalsContact CD2-CE3 3.42Å; H396-W444 AromaticContact CD2-CZ3 3.7Å
397	V	91.7	Very high	94.3	Very high	93 Å²	93	28.1 Å²	28.1	56%	0.564	15%	0.149	S	C	*	.	S	Bend	trans	-60.3	-59.6	-175.4	-177.7	0	0	0	0	112.4	P346 I395 H399 P400	P346-V397 HydrophobicContact CB-CG1 4.37Å; P346-V397 HydrophobicContact CG-CG2 4.4Å; I395-V397 PolarHBondContact O-N 3Å; V397-H399 VanDerWaalsContact C-N 3.33Å; V397-H399 PolarHBondContact O-N 3.08Å; V397-P400 WeakPolarHBondContact O-CG 3.27Å
398	D	91.2	Very high	94.6	Very high	125 Å²	125	23.8 Å²	23.8	67%	0.668	12%	0.122	S	C	*	.	S	Bend	trans	-78.7	-16.7	-177.8	-53.6	-82.7	0	0	0	113.7	H396	H396-D398 PolarHBondContact ND1-N 3.49Å
399	H	91.8	Very high	94.5	Very high	63 Å²	63	26 Å²	26	29%	0.292	13%	0.133	S	C	.	.			trans	-126.7	66.6	-179.2	-69.7	-1.7	0	0	0	112.1	H396 V397 Y401 L402	H396-H399 HydrophobicContact CB-CB 4.24Å; H396-H399 PolarHBondContact ND1-N 3.02Å; H396-H399 CarbonylContact O-C 3.58Å; H396-H399 VanDerWaalsContact O-C 3.3Å; V397-H399 VanDerWaalsContact C-N 3.33Å; V397-H399 PolarHBondContact O-N 3.08Å; H399-Y401 HydrophobicContact CB-CE1 3.97Å; H399-Y401 PolarHBondContact O-N 3.2Å; H399-L402 HydrophobicContact CB-CD1 4.03Å; H399-L402 HydrophobicContact CB-CG 4.32Å; H399-L402 PolarHBondContact O-N 3.49Å
400	P	91.4	Very high	94.5	Very high	15 Å²	15	26 Å²	26	10%	0.097	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70	13.5	-169.4	-14.6	28.9	0	0	0	116	N345 K347 I395 H396 V397	N345-P400 WeakPolarHBondContact ND2-CB 3.43Å; N345-P400 PolarHBondContact ND2-O 3.28Å; N345-P400 VanDerWaalsContact OD1-CB 3.27Å; N345-P400 WeakPolarHBondContact OD1-CB 3.48Å; K347-P400 HydrophobicContact CB-CB 4.22Å; K347-P400 HydrophobicContact CB-CG 3.62Å; K347-P400 HydrophobicContact CD-CG 4.16Å; I395-P400 HydrophobicContact CG2-CB 4.41Å; H396-P400 WeakPolarHBondContact O-CA 3.49Å; V397-P400 WeakPolarHBondContact O-CG 3.27Å
401	Y	91.6	Very high	94.4	Very high	62 Å²	62	27.3 Å²	27.3	24%	0.243	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.1	-3.6	168.6	61.8	-92.1	0	0	0	112.5	H399 N416 L417 K418	H399-Y401 HydrophobicContact CB-CE1 3.97Å; H399-Y401 PolarHBondContact O-N 3.2Å; Y401-N416 WeakPolarHBondContact CD2-OD1 3.43Å; Y401-N416 CarbonylContact O-C 3.15Å; Y401-N416 VanDerWaalsContact O-CA 3.31Å; Y401-N416 WeakPolarHBondContact O-CA 3.49Å; Y401-L417 PolarHBondContact O-N 3.11Å; Y401-K418 HydrophobicContact CD1-CD 4.3Å; Y401-K418 VanDerWaalsContact CD1-CE 3.44Å; Y401-K418 HydrophobicContact CD2-CD 3.88Å; Y401-K418 HydrophobicContact CD2-CG 4.19Å; Y401-K418 HydrophobicContact CE2-CD 4.19Å; Y401-K418 HydrophobicContact CG-CD 3.94Å; Y401-K418 HydrophobicContact CG-CG 4.1Å
402	L	93.5	Very high	94.4	Very high	10 Å²	10	27.1 Å²	27.1	5%	0.052	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	129.4	173.5	-62.4	179.1	0	0	0	109.8	H396 H399 I414 N416 W444 L453	H396-L402 HydrophobicContact CB-CB 4.19Å; H396-L402 PolarHBondContact N-O 3.27Å; H399-L402 HydrophobicContact CB-CD1 4.03Å; H399-L402 HydrophobicContact CB-CG 4.32Å; H399-L402 PolarHBondContact O-N 3.49Å; L402-I414 HydrophobicContact CD2-CG2 4.28Å; L402-N416 HydrophobicContact CD2-CB 4.14Å; L402-W444 HydrophobicContact CB-CZ2 4.34Å; L402-L453 HydrophobicContact CD1-CD1 3.42Å; L402-L453 VanDerWaalsContact CD1-CD1 3.42Å
403	V	95.4	Very high	94.3	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	119.6	177.5	-171	0	0	0	0	107.9	L369 L393 D394 I395 V405 I414 Y415 L417	L369-V403 HydrophobicContact CD1-CG1 4.44Å; L369-V403 HydrophobicContact CD2-CG1 4.32Å; L393-V403 HydrophobicContact CB-CG1 4.36Å; L393-V403 HydrophobicContact CD1-CG1 4.35Å; D394-V403 CarbonylContact O-C 3.55Å; D394-V403 WeakPolarHBondContact O-CA 3.44Å; I395-V403 HydrophobicContact CG1-CG1 4.29Å; I395-V403 HydrophobicContact CG1-CG2 4.24Å; V403-V405 HydrophobicContact CG1-CG2 4.06Å; V403-I414 CarbonylContact O-C 3.56Å; V403-I414 WeakPolarHBondContact O-CA 3.28Å; V403-Y415 PolarHBondContact N-O 2.82Å; V403-Y415 PolarHBondContact O-N 3.38Å; V403-L417 HydrophobicContact CG2-CD1 4.43Å; V403-L417 HydrophobicContact CG2-CD2 4.39Å; V403-L417 HydrophobicContact CG2-CG 4.39Å
404	A	96.3	Very high	94.2	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	143.1	169.4	0	0	0	0	0	108.6	L393 D394 A413 V442 W444 F455	L393-A404 CarbonylContact C-O 3.6Å; L393-A404 WeakPolarHBondContact CA-O 3.14Å; L393-A404 WeakPolarHBondContact CB-O 3.46Å; D394-A404 PolarHBondContact N-O 2.61Å; D394-A404 PolarHBondContact O-N 3.11Å; A404-A413 CarbonylContact C-O 3.59Å; A404-A413 WeakPolarHBondContact CA-O 3.41Å; A404-V442 HydrophobicContact CB-CG2 4.15Å; A404-W444 HydrophobicContact CB-CZ2 3.79Å; A404-F455 HydrophobicContact CB-CD2 4.4Å; A404-F455 HydrophobicContact CB-CG 4.44Å
405	V	96.8	Very high	94	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	124.9	-174.1	-179.9	0	0	0	0	109.5	L369 V390 C392 L393 V403 V412 A413 Y415	L369-V405 HydrophobicContact CD1-CG2 4.49Å; L369-V405 HydrophobicContact CD2-CG2 4.1Å; V390-V405 HydrophobicContact CB-CG1 4.31Å; V390-V405 HydrophobicContact CG1-CG1 3.71Å; V390-V405 HydrophobicContact CG2-CG1 3.81Å; C392-V405 CarbonylContact O-C 3.57Å; C392-V405 WeakPolarHBondContact O-CA 3.36Å; L393-V405 HydrophobicContact CB-CG2 4.15Å; V403-V405 HydrophobicContact CG1-CG2 4.06Å; V405-V412 WeakPolarHBondContact O-CA 3.5Å; V405-A413 PolarHBondContact N-O 3.45Å; V405-A413 PolarHBondContact O-N 3.28Å; V405-Y415 HydrophobicContact CB-CD2 4.13Å; V405-Y415 HydrophobicContact CB-CE2 3.96Å; V405-Y415 HydrophobicContact CG1-CE2 4.32Å; V405-Y415 HydrophobicContact CG2-CD2 3.57Å; V405-Y415 HydrophobicContact CG2-CE2 3.82Å
406	G	96.3	Very high	93.8	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	138.9	169.8	0	0	0	0	0	111.6	M391 C392	M391-G406 PolarHBondContact N-O 2.82Å; C392-G406 PolarHBondContact N-O 2.89Å; C392-G406 PolarHBondContact O-N 3.07Å; C392-G406 VanDerWaalsContact SG-CA 3.54Å
407	H	95.6	Very high	93.5	Very high	4 Å²	4	26.5 Å²	26.5	2%	0.019	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	158.2	179.1	-68.9	-66.4	0	0	0	112.6	S386 S388 G389 D409 G410 N411 V439	S386-H407 VanDerWaalsContact CB-CE1 3.49Å; S386-H407 WeakPolarHBondContact CB-CE1 3.44Å; S386-H407 PolarHBondContact OG-CE1 3.41Å; S388-H407 PolarHBondContact O-ND1 2.96Å; G389-H407 VanDerWaalsContact O-CA 3.27Å; G389-H407 WeakPolarHBondContact O-CA 3.32Å; G389-H407 PolarHBondContact O-ND1 2.71Å; H407-D409 WeakPolarHBondContact CB-OD1 3.35Å; H407-D409 PolarHBondContact O-N 3.41Å; H407-G410 PolarHBondContact O-N 3.06Å; H407-N411 WeakPolarHBondContact CB-O 3.13Å; H407-N411 PolarHBondContact N-O 2.8Å; H407-V439 PolarHBondContact O-N 2.91Å
408	Y	94.9	Very high	93.3	Very high	53 Å²	53	29 Å²	29	21%	0.208	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-20	178.6	-174	-89.4	0	0	0	113.4	F361 Q364 G389 M391 G410 P438	F361-Y408 VanDerWaalsContact CD2-OH 3.28Å; F361-Y408 WeakPolarHBondContact CD2-OH 3.29Å; Q364-Y408 HydrophobicContact CG-CD1 3.87Å; Q364-Y408 HydrophobicContact CG-CE1 4.05Å; Q364-Y408 HydrophobicContact CG-CG 4.36Å; G389-Y408 PolarHBondContact O-N 2.88Å; M391-Y408 HydrophobicContact CE-CD2 4.37Å; M391-Y408 HydrophobicContact CG-CD2 4.22Å; M391-Y408 HydrophobicContact SD-CD2 3.95Å; Y408-G410 VanDerWaalsContact C-N 3.27Å; Y408-G410 PolarHBondContact O-N 2.71Å; Y408-P438 HydrophobicContact CD1-CG 4.37Å; Y408-P438 HydrophobicContact CD2-CB 3.91Å; Y408-P438 HydrophobicContact CD2-CG 3.49Å; Y408-P438 VanDerWaalsContact CD2-CG 3.49Å; Y408-P438 HydrophobicContact CE1-CG 4.35Å; Y408-P438 HydrophobicContact CE2-CB 4.31Å; Y408-P438 HydrophobicContact CE2-CG 3.49Å; Y408-P438 VanDerWaalsContact CE2-CG 3.49Å; Y408-P438 HydrophobicContact CG-CB 4.38Å; Y408-P438 HydrophobicContact CG-CG 3.95Å; Y408-P438 WeakPolarHBondContact O-CG 3.47Å
409	D	92.4	Very high	92.7	Very high	60 Å²	60	27.9 Å²	27.9	32%	0.321	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90	14.7	179.5	65.7	-8	0	0	0	113.3	S388 H407 N411 K434	S388-D409 PolarHBondContact OG-N 3.27Å; H407-D409 WeakPolarHBondContact CB-OD1 3.35Å; H407-D409 PolarHBondContact O-N 3.41Å; D409-N411 PolarHBondContact O-N 2.54Å; D409-N411 WeakPolarHBondContact OD1-CB 3.37Å; D409-N411 PolarHBondContact OD1-N 3.47Å; D409-N411 PolarHBondContact OD1-ND2 2.96Å; D409-N411 PolarHBondContact OD2-ND2 3.23Å; D409-K434 PolarHBondContact O-NZ 2.88Å
410	G	93.1	Very high	91.6	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.156	C	C	.	.	S	Bend	trans	75.6	-1	-177.9	0	0	0	0	0	115.2	H407 Y408 H435 D437	H407-G410 PolarHBondContact O-N 3.06Å; Y408-G410 VanDerWaalsContact C-N 3.27Å; Y408-G410 PolarHBondContact O-N 2.71Å; G410-H435 WeakPolarHBondContact CA-O 3.04Å; G410-H435 PolarHBondContact O-N 2.84Å; G410-D437 WeakPolarHBondContact CA-O 3.3Å; G410-D437 PolarHBondContact N-O 2.71Å
411	N	94.3	Very high	90.5	Very high	29 Å²	29	36.9 Å²	36.9	16%	0.155	18%	0.18	C	C	.	.			trans	-77.7	147.5	174.4	-65.6	-47.6	0	0	0	111	H407 D409 S428 K434	H407-N411 WeakPolarHBondContact CB-O 3.13Å; H407-N411 PolarHBondContact N-O 2.8Å; D409-N411 PolarHBondContact O-N 2.54Å; D409-N411 WeakPolarHBondContact OD1-CB 3.37Å; D409-N411 PolarHBondContact OD1-N 3.47Å; D409-N411 PolarHBondContact OD1-ND2 2.96Å; D409-N411 PolarHBondContact OD2-ND2 3.23Å; N411-S428 WeakPolarHBondContact CA-OG 3.36Å; N411-S428 PolarHBondContact OD1-O 2.94Å; N411-K434 VanDerWaalsContact OD1-CD 3.24Å; N411-K434 WeakPolarHBondContact OD1-CD 3.37Å
412	V	95.1	Very high	89.5	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	130.4	174.6	-167.9	0	0	0	0	108.5	V405 C427 S428 V439 V442 F455 W467	V405-V412 WeakPolarHBondContact O-CA 3.5Å; V412-C427 CarbonylContact O-C 3.56Å; V412-C427 WeakPolarHBondContact O-CA 2.98Å; V412-S428 PolarHBondContact N-OG 2.87Å; V412-S428 PolarHBondContact O-N 3.04Å; V412-V439 HydrophobicContact CG2-CG1 4.21Å; V412-V439 HydrophobicContact CG2-CG2 3.95Å; V412-V442 HydrophobicContact CG1-CG1 4.01Å; V412-F455 HydrophobicContact CG1-CE2 3.6Å; V412-F455 HydrophobicContact CG1-CZ 4.06Å; V412-W467 HydrophobicContact CB-CZ2 4.41Å; V412-W467 HydrophobicContact CG2-CZ2 3.95Å
413	A	93.9	Very high	89	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	149	-169.7	0	0	0	0	0	112.1	A404 V405 Y415 P424 F426	A404-A413 CarbonylContact C-O 3.59Å; A404-A413 WeakPolarHBondContact CA-O 3.41Å; V405-A413 PolarHBondContact N-O 3.45Å; V405-A413 PolarHBondContact O-N 3.28Å; A413-Y415 HydrophobicContact CB-CD2 4.42Å; A413-Y415 HydrophobicContact CB-CE2 3.79Å; A413-P424 HydrophobicContact CB-CB 3.89Å; A413-P424 HydrophobicContact CB-CG 4.26Å; A413-F426 CarbonylContact C-O 3.27Å; A413-F426 WeakPolarHBondContact CA-O 3.37Å
414	I	94.1	Very high	88.5	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	114	174.1	-50.9	173.9	0	0	0	108.6	L402 V403 S425 F426 W444 F455 L469 L474	L402-I414 HydrophobicContact CD2-CG2 4.28Å; V403-I414 CarbonylContact O-C 3.56Å; V403-I414 WeakPolarHBondContact O-CA 3.28Å; I414-S425 PolarHBondContact O-N 2.99Å; I414-F426 HydrophobicContact CB-CB 4.24Å; I414-F426 HydrophobicContact CB-CD2 4.16Å; I414-F426 HydrophobicContact CD1-CB 4.19Å; I414-F426 HydrophobicContact CD1-CD2 4.03Å; I414-F426 HydrophobicContact CD1-CG 4.47Å; I414-F426 HydrophobicContact CG1-CB 4.36Å; I414-F426 HydrophobicContact CG2-CD2 4.49Å; I414-F426 PolarHBondContact N-O 2.7Å; I414-F426 PolarHBondContact O-N 3.1Å; I414-W444 HydrophobicContact CD1-CH2 4.3Å; I414-W444 HydrophobicContact CG2-CZ2 4.39Å; I414-F455 HydrophobicContact CD1-CE1 3.79Å; I414-F455 HydrophobicContact CD1-CZ 4.43Å; I414-F455 HydrophobicContact CG1-CE1 4.11Å; I414-F455 HydrophobicContact CG1-CZ 4.39Å; I414-L469 HydrophobicContact CD1-CD1 4.08Å; I414-L469 HydrophobicContact CD1-CD2 4.19Å; I414-L474 HydrophobicContact CD1-CD1 3.93Å
415	Y	93.3	Very high	88.1	Confident	4 Å²	4	46 Å²	46	2%	0.016	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	147.9	172.7	-66.8	-97.2	0	0	0	110	L369 F384 V403 V405 A413 P424	L369-Y415 HydrophobicContact CD2-CD1 4.33Å; L369-Y415 HydrophobicContact CD2-CD2 3.92Å; L369-Y415 HydrophobicContact CD2-CG 3.8Å; F384-Y415 HydrophobicContact CB-CD1 3.96Å; F384-Y415 HydrophobicContact CB-CE1 3.79Å; F384-Y415 AromaticContact CD1-CD1 3.77Å; F384-Y415 HydrophobicContact CD1-CD1 3.77Å; F384-Y415 HydrophobicContact CD1-CE1 4.26Å; F384-Y415 HydrophobicContact CD2-CD1 4.34Å; F384-Y415 HydrophobicContact CE1-CD1 4.36Å; F384-Y415 AromaticContact CG-CD1 3.77Å; F384-Y415 HydrophobicContact CG-CD1 3.77Å; F384-Y415 HydrophobicContact CG-CE1 4.13Å; V403-Y415 PolarHBondContact N-O 2.82Å; V403-Y415 PolarHBondContact O-N 3.38Å; V405-Y415 HydrophobicContact CB-CD2 4.13Å; V405-Y415 HydrophobicContact CB-CE2 3.96Å; V405-Y415 HydrophobicContact CG1-CE2 4.32Å; V405-Y415 HydrophobicContact CG2-CD2 3.57Å; V405-Y415 HydrophobicContact CG2-CE2 3.82Å; A413-Y415 HydrophobicContact CB-CD2 4.42Å; A413-Y415 HydrophobicContact CB-CE2 3.79Å; Y415-P424 HydrophobicContact CD1-CB 4.13Å; Y415-P424 HydrophobicContact CD2-CB 4.27Å; Y415-P424 HydrophobicContact CE1-CB 3.85Å; Y415-P424 HydrophobicContact CE1-CG 4.35Å; Y415-P424 HydrophobicContact CE2-CB 4Å; Y415-P424 HydrophobicContact CG-CB 4.34Å
416	N	91.8	Very high	87.6	Confident	28 Å²	28	48.4 Å²	48.4	15%	0.15	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	105.8	-178.6	-175.7	-31.6	0	0	0	109.9	Y401 L402 K418 K419 S425	Y401-N416 WeakPolarHBondContact CD2-OD1 3.43Å; Y401-N416 CarbonylContact O-C 3.15Å; Y401-N416 VanDerWaalsContact O-CA 3.31Å; Y401-N416 WeakPolarHBondContact O-CA 3.49Å; L402-N416 HydrophobicContact CD2-CB 4.14Å; N416-K418 PolarHBondContact O-N 2.99Å; N416-K418 VanDerWaalsContact O-N 3.07Å; N416-K418 WeakPolarHBondContact OD1-CB 3.2Å; N416-K418 PolarHBondContact OD1-N 3.1Å; N416-K418 VanDerWaalsContact OD1-N 3.07Å; N416-K419 PolarHBondContact O-N 3.25Å; N416-S425 WeakPolarHBondContact CB-OG 3.46Å
417	L	89.2	Confident	87.3	Confident	11 Å²	11	51.4 Å²	51.4	6%	0.058	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-14.1	-173.3	-53.9	-179.3	0	0	0	113.9	L371 Y382 F384 Y401 V403 K419	L371-L417 HydrophobicContact CD1-CD2 4.05Å; L371-L417 HydrophobicContact CD2-CD1 3.43Å; L371-L417 VanDerWaalsContact CD2-CD1 3.43Å; L371-L417 HydrophobicContact CD2-CD2 3.78Å; L371-L417 HydrophobicContact CD2-CG 4.27Å; Y382-L417 HydrophobicContact CD1-CD2 4.42Å; Y382-L417 HydrophobicContact CD2-CD2 4.4Å; Y382-L417 HydrophobicContact CE1-CB 4.17Å; Y382-L417 WeakPolarHBondContact CE1-O 3.2Å; Y382-L417 HydrophobicContact CE2-CB 4.47Å; Y382-L417 HydrophobicContact CG-CD2 4.21Å; F384-L417 HydrophobicContact CE2-CD2 3.69Å; F384-L417 HydrophobicContact CZ-CD2 3.91Å; Y401-L417 PolarHBondContact O-N 3.11Å; V403-L417 HydrophobicContact CG2-CD1 4.43Å; V403-L417 HydrophobicContact CG2-CD2 4.39Å; V403-L417 HydrophobicContact CG2-CG 4.39Å; L417-K419 VanDerWaalsContact C-N 3.29Å
418	K	86.5	Confident	87.1	Confident	145 Å²	145	51.4 Å²	51.4	63%	0.63	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-14.3	173.5	-64.3	174.8	174.7	171.4	0	113	Y401 N416	Y401-K418 HydrophobicContact CD1-CD 4.3Å; Y401-K418 VanDerWaalsContact CD1-CE 3.44Å; Y401-K418 HydrophobicContact CD2-CD 3.88Å; Y401-K418 HydrophobicContact CD2-CG 4.19Å; Y401-K418 HydrophobicContact CE2-CD 4.19Å; Y401-K418 HydrophobicContact CG-CD 3.94Å; Y401-K418 HydrophobicContact CG-CG 4.1Å; N416-K418 PolarHBondContact O-N 2.99Å; N416-K418 VanDerWaalsContact O-N 3.07Å; N416-K418 WeakPolarHBondContact OD1-CB 3.2Å; N416-K418 PolarHBondContact OD1-N 3.1Å; N416-K418 VanDerWaalsContact OD1-N 3.07Å
419	K	79.9	Confident	86.8	Confident	101 Å²	101	51.2 Å²	51.2	44%	0.439	28%	0.275	S	S	.	.	S	Bend	trans	-104	128.2	179	-62.4	-177.7	-171.2	167.1	0	110.1	N416 L417 H421 S425	N416-K419 PolarHBondContact O-N 3.25Å; L417-K419 VanDerWaalsContact C-N 3.29Å; K419-H421 PolarHBondContact O-N 2.9Å; K419-S425 WeakPolarHBondContact CD-OG 3.4Å; K419-S425 PolarHBondContact NZ-OG 2.78Å
420	P	67.1	Low	86.4	Confident	138 Å²	138	52.8 Å²	52.8	90%	0.896	30%	0.296	S	S	*	.			trans	-77.5	14.9	178.4	33.8	-37.4	0	0	0	113.8
421	H	68.4	Low	85.9	Confident	130 Å²	130	62.8 Å²	62.8	60%	0.602	34%	0.339	S	S	*	.			trans	-89.5	131.9	-176.6	-127	67.3	0	0	0	110.3	F384 K419 Q423	F384-H421 WeakPolarHBondContact CE1-O 3.35Å; K419-H421 PolarHBondContact O-N 2.9Å; H421-Q423 PolarHBondContact O-N 2.9Å; H421-Q423 VanDerWaalsContact O-N 3.09Å
422	S	71.7	Confident	85.3	Confident	53 Å²	53	62.7 Å²	62.7	37%	0.371	34%	0.341	S	S	.	.	S	Bend	trans	-69.6	-3.8	-179.2	-174.7	0	0	0	0	114.4	S385	S385-S422 PolarHBondContact N-OG 3.21Å
423	Q	82.5	Confident	84.8	Confident	143 Å²	143	63.4 Å²	63.4	67%	0.668	35%	0.348	S	S	*	.	S	Bend	trans	-95.8	147.4	179.3	-65.6	-174.5	3.1	0	0	111.2	H421	H421-Q423 PolarHBondContact O-N 2.9Å; H421-Q423 VanDerWaalsContact O-N 3.09Å
424	P	85.9	Confident	84.7	Confident	40 Å²	40	66.2 Å²	66.2	26%	0.26	36%	0.361	S	S	.	.			trans	-60.9	149.7	173.6	27	-34.8	0	0	0	111.3	A413 Y415 C427	A413-P424 HydrophobicContact CB-CB 3.89Å; A413-P424 HydrophobicContact CB-CG 4.26Å; Y415-P424 HydrophobicContact CD1-CB 4.13Å; Y415-P424 HydrophobicContact CD2-CB 4.27Å; Y415-P424 HydrophobicContact CE1-CB 3.85Å; Y415-P424 HydrophobicContact CE1-CG 4.35Å; Y415-P424 HydrophobicContact CE2-CB 4Å; Y415-P424 HydrophobicContact CG-CB 4.34Å; P424-C427 HydrophobicContact CG-CB 4.17Å
425	S	86.3	Confident	84.6	Confident	28 Å²	28	66.2 Å²	66.2	20%	0.196	36%	0.361	C	S	.	.	S	Bend	trans	-74.6	-28.2	176.1	-77.5	0	0	0	0	113	I414 N416 K419	I414-S425 PolarHBondContact O-N 2.99Å; N416-S425 WeakPolarHBondContact CB-OG 3.46Å; K419-S425 WeakPolarHBondContact CD-OG 3.4Å; K419-S425 PolarHBondContact NZ-OG 2.78Å
426	F	88.3	Confident	84.6	Confident	50 Å²	50	69.9 Å²	69.9	22%	0.219	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	143.3	172.8	-54.3	-74.4	0	0	0	108.3	A413 I414 L469 R472	A413-F426 CarbonylContact C-O 3.27Å; A413-F426 WeakPolarHBondContact CA-O 3.37Å; I414-F426 HydrophobicContact CB-CB 4.24Å; I414-F426 HydrophobicContact CB-CD2 4.16Å; I414-F426 HydrophobicContact CD1-CB 4.19Å; I414-F426 HydrophobicContact CD1-CD2 4.03Å; I414-F426 HydrophobicContact CD1-CG 4.47Å; I414-F426 HydrophobicContact CG1-CB 4.36Å; I414-F426 HydrophobicContact CG2-CD2 4.49Å; I414-F426 PolarHBondContact N-O 2.7Å; I414-F426 PolarHBondContact O-N 3.1Å; F426-L469 HydrophobicContact CD1-CD1 4.16Å; F426-L469 HydrophobicContact CD2-CD1 3.73Å; F426-L469 HydrophobicContact CD2-CD2 4.25Å; F426-L469 HydrophobicContact CE1-CD1 4.22Å; F426-L469 HydrophobicContact CE2-CD1 3.79Å; F426-L469 HydrophobicContact CE2-CD2 3.91Å; F426-L469 HydrophobicContact CE2-CG 4.42Å; F426-L469 HydrophobicContact CG-CD1 3.92Å; F426-L469 HydrophobicContact CZ-CD1 4.03Å; F426-R472 HydrophobicContact CE1-CB 4.4Å
427	C	89.4	Confident	84.6	Confident	63 Å²	63	72 Å²	72	43%	0.426	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	138.3	175.4	-166.3	0	0	0	0	108.2	V412 P424	V412-C427 CarbonylContact O-C 3.56Å; V412-C427 WeakPolarHBondContact O-CA 2.98Å; P424-C427 HydrophobicContact CG-CB 4.17Å
428	S	91.4	Very high	84.9	Confident	4 Å²	4	72.1 Å²	72.1	3%	0.028	40%	0.399	C	S	.	.			trans	-72.3	167.4	169.7	74.9	0	0	0	0	111	N411 V412 S432 W467	N411-S428 WeakPolarHBondContact CA-OG 3.36Å; N411-S428 PolarHBondContact OD1-O 2.94Å; V412-S428 PolarHBondContact N-OG 2.87Å; V412-S428 PolarHBondContact O-N 3.04Å; S428-S432 WeakPolarHBondContact CA-OG 3.35Å; S428-W467 VanDerWaalsContact CB-CH2 3.43Å
429	S	87.9	Confident	85.3	Confident	49 Å²	49	65.2 Å²	65.2	34%	0.343	37%	0.369	S	S	.	.			trans	-158.2	172.1	-176.4	66.2	0	0	0	0	110	K431 S432 G433 K434	S429-K431 PolarHBondContact O-N 2.95Å; S429-K431 VanDerWaalsContact O-N 3.13Å; S429-K431 PolarHBondContact OG-N 3.11Å; S429-S432 PolarHBondContact N-OG 2.8Å; S429-S432 CarbonylContact O-C 3.53Å; S429-S432 PolarHBondContact O-N 2.86Å; S429-S432 PolarHBondContact O-OG 2.94Å; S429-S432 PolarHBondContact OG-N 2.59Å; S429-S432 PolarHBondContact OG-OG 3.17Å; S429-G433 PolarHBondContact O-N 2.91Å; S429-K434 PolarHBondContact O-N 3.42Å; S429-K434 VanDerWaalsContact O-N 3.1Å
430	A	84.5	Confident	86.1	Confident	92 Å²	92	64 Å²	64	76%	0.76	36%	0.362	S	S	*	.	G	3₁₀ helix	trans	-55.1	-29.2	172.2	0	0	0	0	0	113.5
431	K	82.3	Confident	87.5	Confident	210 Å²	210	59.2 Å²	59.2	91%	0.913	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-82.3	-9.8	177.1	-66.1	-173.5	178.8	-177.7	0	114.2	S429	S429-K431 PolarHBondContact O-N 2.95Å; S429-K431 VanDerWaalsContact O-N 3.13Å; S429-K431 PolarHBondContact OG-N 3.11Å
432	S	82.4	Confident	88.8	Confident	27 Å²	27	53.1 Å²	53.1	19%	0.189	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-126.1	21.3	-177.9	76.5	0	0	0	0	112.8	S428 S429 W467 H476	S428-S432 WeakPolarHBondContact CA-OG 3.35Å; S429-S432 PolarHBondContact N-OG 2.8Å; S429-S432 CarbonylContact O-C 3.53Å; S429-S432 PolarHBondContact O-N 2.86Å; S429-S432 PolarHBondContact O-OG 2.94Å; S429-S432 PolarHBondContact OG-N 2.59Å; S429-S432 PolarHBondContact OG-OG 3.17Å; S432-W467 WeakPolarHBondContact O-CZ3 3.48Å; S432-H476 PolarHBondContact O-ND1 3.18Å
433	G	84.1	Confident	90	Very high	15 Å²	15	52.2 Å²	52.2	16%	0.155	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	77.6	41	172.6	0	0	0	0	0	116.5	S429 W467	S429-G433 PolarHBondContact O-N 2.91Å; G433-W467 VanDerWaalsContact O-CH2 3.24Å; G433-W467 WeakPolarHBondContact O-CH2 3.12Å
434	K	90.8	Very high	90.6	Very high	60 Å²	60	46.3 Å²	46.3	26%	0.261	26%	0.261	S	S	.	.			trans	-54	159.8	171.8	78	159.8	-158	95.3	0	112.7	D409 N411 S429 S436 R463	D409-K434 PolarHBondContact O-NZ 2.88Å; N411-K434 VanDerWaalsContact OD1-CD 3.24Å; N411-K434 WeakPolarHBondContact OD1-CD 3.37Å; S429-K434 PolarHBondContact O-N 3.42Å; S429-K434 VanDerWaalsContact O-N 3.1Å; K434-S436 PolarHBondContact NZ-O 3.16Å; K434-R463 PolarHBondContact O-NH2 3.36Å
435	H	93.9	Very high	90.8	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	25%	0.254	C	S	.	.			trans	-68	155.4	166.7	-71.8	-85.3	0	0	0	111	G410 V439 S457 S459 D461 R463 V465	G410-H435 WeakPolarHBondContact CA-O 3.04Å; G410-H435 PolarHBondContact O-N 2.84Å; H435-V439 HydrophobicContact CB-CG2 4.12Å; H435-S457 PolarHBondContact NE2-OG 2.83Å; H435-S459 WeakPolarHBondContact ND1-CB 3.36Å; H435-D461 WeakPolarHBondContact CA-OD2 3.44Å; H435-D461 IonicContact CE1-OD1 2.66Å; H435-D461 IonicContact CG-OD1 3.23Å; H435-D461 IonicContact CG-OD2 3.59Å; H435-D461 IonicContact ND1-OD1 3.95Å; H435-D461 PolarHBondContact ND1-OD1 2.82Å; H435-D461 IonicContact ND1-OD2 3.61Å; H435-D461 PolarHBondContact ND1-OD2 2.96Å; H435-R463 PolarHBondContact CE1-O 2.93Å; H435-V465 VanDerWaalsContact CE1-CG2 3.44Å; H435-V465 WeakPolarHBondContact CE1-CG2 3.26Å
436	S	92.2	Very high	90.8	Very high	80 Å²	80	51.3 Å²	51.3	56%	0.559	28%	0.275	S	S	*	.	S	Bend	trans	-71.6	-43.3	172.5	-63.6	0	0	0	0	110.9	K434 D461	K434-S436 PolarHBondContact NZ-O 3.16Å; S436-D461 PolarHBondContact N-OD2 3.44Å
437	D	92.5	Very high	90.7	Very high	74 Å²	74	52.4 Å²	52.4	40%	0.396	28%	0.283	S	S	.	.	S	Bend	trans	-118.4	178.9	-166	-64.8	-77.6	0	0	0	111.7	G410 S459 D461	G410-D437 WeakPolarHBondContact CA-O 3.3Å; G410-D437 PolarHBondContact N-O 2.71Å; D437-S459 PolarHBondContact O-OG 3.15Å; D437-S459 VanDerWaalsContact O-OG 3.12Å; D437-D461 HydrophobicContact CB-CB 4.16Å; D437-D461 WeakPolarHBondContact OD2-CB 3.37Å
438	P	94.5	Very high	90.3	Very high	12 Å²	12	52.8 Å²	52.8	8%	0.078	28%	0.281	C	S	.	.			trans	-54.7	143.1	-178.3	-28.4	37.1	0	0	0	113.8	Y408 W440 S459 S460	Y408-P438 HydrophobicContact CD1-CG 4.37Å; Y408-P438 HydrophobicContact CD2-CB 3.91Å; Y408-P438 HydrophobicContact CD2-CG 3.49Å; Y408-P438 VanDerWaalsContact CD2-CG 3.49Å; Y408-P438 HydrophobicContact CE1-CG 4.35Å; Y408-P438 HydrophobicContact CE2-CB 4.31Å; Y408-P438 HydrophobicContact CE2-CG 3.49Å; Y408-P438 VanDerWaalsContact CE2-CG 3.49Å; Y408-P438 HydrophobicContact CG-CB 4.38Å; Y408-P438 HydrophobicContact CG-CG 3.95Å; Y408-P438 WeakPolarHBondContact O-CG 3.47Å; P438-W440 HydrophobicContact CB-CZ2 4.29Å; P438-S459 VanDerWaalsContact O-CA 3.24Å; P438-S459 WeakPolarHBondContact O-CA 3.16Å; P438-S459 VanDerWaalsContact O-CB 3.25Å; P438-S459 WeakPolarHBondContact O-CB 3.42Å; P438-S459 PolarHBondContact O-OG 3.31Å; P438-S460 PolarHBondContact O-N 3.2Å
439	V	96.4	Very high	89.6	Confident	0 Å²	0	61 Å²	61	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	104.4	175.6	-173.9	0	0	0	0	109	M391 C392 H407 V412 H435 V442 V458	M391-V439 VanDerWaalsContact CB-O 3.31Å; M391-V439 WeakPolarHBondContact CB-O 3.29Å; C392-V439 PolarHBondContact SG-O 3.07Å; H407-V439 PolarHBondContact O-N 2.91Å; V412-V439 HydrophobicContact CG2-CG1 4.21Å; V412-V439 HydrophobicContact CG2-CG2 3.95Å; H435-V439 HydrophobicContact CB-CG2 4.12Å; V439-V442 HydrophobicContact CG1-CG1 4Å; V439-V458 CarbonylContact C-O 3.57Å; V439-V458 WeakPolarHBondContact CA-O 3.38Å; V439-V458 WeakPolarHBondContact CG1-O 3.45Å
440	W	95.6	Very high	89.3	Confident	77 Å²	77	65 Å²	65	29%	0.292	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	-27.2	-171.2	-68.1	113.7	0	0	0	114.5	Y359 M391 C392 P438 V458 S460 T504	Y359-W440 HydrophobicContact CD1-CH2 4.47Å; Y359-W440 HydrophobicContact CD1-CZ3 4.02Å; Y359-W440 HydrophobicContact CE1-CZ3 4Å; M391-W440 HydrophobicContact CE-CE3 4.06Å; M391-W440 HydrophobicContact CE-CH2 3.92Å; M391-W440 HydrophobicContact CE-CZ3 3.36Å; C392-W440 VanDerWaalsContact CB-O 3.29Å; C392-W440 WeakPolarHBondContact CB-O 3.49Å; P438-W440 HydrophobicContact CB-CZ2 4.29Å; W440-V458 PolarHBondContact N-O 3.42Å; W440-S460 PolarHBondContact NE1-OG 2.89Å; W440-T504 WeakPolarHBondContact CB-O 3.27Å
441	Q	96.4	Very high	89.3	Confident	36 Å²	36	68.5 Å²	68.5	17%	0.168	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	148	172.1	-154.9	162.7	33.8	0	0	111.8	C392 S457 V458 F506	C392-Q441 WeakPolarHBondContact SG-CA 3.46Å; Q441-S457 WeakPolarHBondContact O-CA 3.49Å; Q441-V458 HydrophobicContact CB-CG1 3.85Å; Q441-V458 PolarHBondContact O-N 3.03Å; Q441-F506 HydrophobicContact CB-CD1 3.92Å; Q441-F506 HydrophobicContact CB-CE1 3.92Å; Q441-F506 HydrophobicContact CG-CD1 4.33Å; Q441-F506 HydrophobicContact CG-CE1 4.22Å; Q441-F506 PolarHBondContact OE1-O 3.02Å
442	V	96.9	Very high	89.6	Confident	2 Å²	2	60 Å²	60	1%	0.012	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	145.6	166.3	-67.5	0	0	0	0	108.6	C392 D394 A404 V412 V439 F456	C392-V442 HydrophobicContact CB-CG2 4.48Å; C392-V442 PolarHBondContact SG-N 2.85Å; D394-V442 HydrophobicContact CB-CG2 4.3Å; A404-V442 HydrophobicContact CB-CG2 4.15Å; V412-V442 HydrophobicContact CG1-CG1 4.01Å; V439-V442 HydrophobicContact CG1-CG1 4Å; V442-F456 VanDerWaalsContact CA-O 3.24Å; V442-F456 WeakPolarHBondContact CA-O 3.34Å
443	K	95.8	Very high	90.1	Very high	34 Å²	34	59.9 Å²	59.9	15%	0.148	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	133.3	172.3	-69.3	-173.2	173.9	170.3	0	111.2	D394 F455 F456 F506 D507 F508	D394-K443 WeakPolarHBondContact OD2-CA 3.42Å; K443-F455 WeakPolarHBondContact O-CA 3.48Å; K443-F455 WeakPolarHBondContact O-CB 3.22Å; K443-F456 PolarHBondContact N-O 3.16Å; K443-F456 PolarHBondContact O-N 2.88Å; K443-F506 HydrophobicContact CB-CE2 4.02Å; K443-F506 HydrophobicContact CB-CZ 3.79Å; K443-F506 HydrophobicContact CD-CE2 4.41Å; K443-F506 VanDerWaalsContact CE-O 3.31Å; K443-F506 WeakPolarHBondContact CE-O 3.41Å; K443-F506 HydrophobicContact CG-CE2 4.36Å; K443-F506 HydrophobicContact CG-CZ 4.06Å; K443-F506 PolarHBondContact NZ-O 3.4Å; K443-D507 VanDerWaalsContact NZ-CB 3.35Å; K443-D507 IonicContact NZ-OD1 3.97Å; K443-D507 PolarHBondContact NZ-OD1 3.47Å; K443-F508 HydrophobicContact CB-CD2 4.41Å; K443-F508 HydrophobicContact CB-CE2 4.28Å
444	W	95.3	Very high	90.5	Very high	20 Å²	20	60 Å²	60	8%	0.076	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	155.3	169.6	-72.3	97.9	0	0	0	111.3	D394 H396 L402 A404 I414 L453 F455	D394-W444 PolarHBondContact O-NE1 3.21Å; D394-W444 VanDerWaalsContact O-NE1 3.13Å; D394-W444 PolarHBondContact OD2-N 2.89Å; H396-W444 HydrophobicContact CB-CD2 3.93Å; H396-W444 HydrophobicContact CB-CE3 4.49Å; H396-W444 HydrophobicContact CB-CG 4.04Å; H396-W444 AromaticContact CD2-CD2 3.74Å; H396-W444 AromaticContact CD2-CE3 3.42Å; H396-W444 VanDerWaalsContact CD2-CE3 3.42Å; H396-W444 AromaticContact CD2-CZ3 3.7Å; L402-W444 HydrophobicContact CB-CZ2 4.34Å; A404-W444 HydrophobicContact CB-CZ2 3.79Å; I414-W444 HydrophobicContact CD1-CH2 4.3Å; I414-W444 HydrophobicContact CG2-CZ2 4.39Å; W444-L453 HydrophobicContact CZ3-CB 3.89Å; W444-F455 HydrophobicContact CD2-CB 3.95Å; W444-F455 HydrophobicContact CE3-CB 3.78Å; W444-F455 HydrophobicContact CE3-CD1 4.1Å; W444-F455 HydrophobicContact CE3-CG 4.38Å; W444-F455 HydrophobicContact CG-CB 4.35Å; W444-F455 AromaticContact CH2-CD1 3.71Å; W444-F455 HydrophobicContact CH2-CD1 3.71Å; W444-F455 HydrophobicContact CH2-CE1 4.26Å; W444-F455 HydrophobicContact CZ2-CD1 4.26Å; W444-F455 HydrophobicContact CZ3-CB 4.2Å; W444-F455 AromaticContact CZ3-CD1 3.62Å; W444-F455 HydrophobicContact CZ3-CD1 3.62Å; W444-F455 HydrophobicContact CZ3-CG 4.34Å
445	Q	91	Very high	90.7	Very high	23 Å²	23	57.1 Å²	57.1	11%	0.107	29%	0.285	C	S	.	.			trans	-130.2	173.4	173.3	-165.9	140.4	59.3	0	0	110.1	N454 F508 D513 K530	Q445-N454 PolarHBondContact N-O 2.97Å; Q445-F508 HydrophobicContact CB-CE2 4.48Å; Q445-F508 VanDerWaalsContact NE2-CG 3.34Å; Q445-D513 PolarHBondContact NE2-OD1 2.69Å; Q445-K530 VanDerWaalsContact CD-CE 3.48Å; Q445-K530 VanDerWaalsContact NE2-CE 3.34Å
446	K	86.2	Confident	90.8	Very high	149 Å²	149	57.3 Å²	57.3	65%	0.648	29%	0.286	S	S	*	.	P	Polyproline II helix	trans	-58	149.4	164.2	-64.9	173.1	-177.9	169	0	109.4
447	D	85.4	Confident	91	Very high	73 Å²	73	53.5 Å²	53.5	39%	0.39	26%	0.26	S	S	.	.	P	Polyproline II helix	trans	-58.5	152.1	178.6	-59.9	-26.6	0	0	0	112	N452 L453	D447-N452 WeakPolarHBondContact CA-O 3.46Å; D447-L453 WeakPolarHBondContact OD1-CA 3.42Å; D447-L453 WeakPolarHBondContact OD1-CD2 3.31Å
448	D	79.9	Confident	91.1	Very high	71 Å²	71	50 Å²	50	38%	0.38	24%	0.241	S	C	.	.	P	Polyproline II helix	trans	-65	169	174.3	-160	-4.2	0	0	0	111.5	D450 Q451 N452	D448-D450 PolarHBondContact O-N 3Å; D448-D450 VanDerWaalsContact O-N 3.07Å; D448-Q451 WeakPolarHBondContact O-CA 3.27Å; D448-Q451 PolarHBondContact O-N 2.97Å; D448-N452 PolarHBondContact N-O 3.28Å
449	M	78.5	Confident	91.2	Very high	176 Å²	176	49.4 Å²	49.4	87%	0.867	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.3	-31.7	179.6	-63.8	-63.8	-65.3	0	0	113.1	Q451	M449-Q451 VanDerWaalsContact C-N 3.27Å; M449-Q451 PolarHBondContact O-N 2.97Å
450	D	81.5	Confident	90.9	Very high	133 Å²	133	50.5 Å²	50.5	71%	0.711	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.6	8.8	175.7	-79.5	-7.7	0	0	0	114.1	D448 N452	D448-D450 PolarHBondContact O-N 3Å; D448-D450 VanDerWaalsContact O-N 3.07Å; D450-N452 VanDerWaalsContact C-N 3.26Å; D450-N452 WeakPolarHBondContact CB-ND2 3.31Å; D450-N452 PolarHBondContact O-N 3.43Å
451	Q	83.9	Confident	90.7	Very high	167 Å²	167	47.6 Å²	47.6	78%	0.78	24%	0.235	S	C	*	.	S	Bend	trans	57.8	33.5	-174.1	-56.4	177.9	7.8	0	0	113.6	D448 M449	D448-Q451 WeakPolarHBondContact O-CA 3.27Å; D448-Q451 PolarHBondContact O-N 2.97Å; M449-Q451 VanDerWaalsContact C-N 3.27Å; M449-Q451 PolarHBondContact O-N 2.97Å
452	N	89.3	Confident	90.3	Very high	32 Å²	32	46 Å²	46	17%	0.171	23%	0.228	C	C	.	.			trans	-92	134.3	169.9	-65.6	-76.8	0	0	0	110	D447 D448 D450 N454 T468	D447-N452 WeakPolarHBondContact CA-O 3.46Å; D448-N452 PolarHBondContact N-O 3.28Å; D450-N452 VanDerWaalsContact C-N 3.26Å; D450-N452 WeakPolarHBondContact CB-ND2 3.31Å; D450-N452 PolarHBondContact O-N 3.43Å; N452-N454 PolarHBondContact O-N 2.99Å; N452-T468 HydrophobicContact CB-CG2 3.52Å
453	L	91.8	Very high	90	Very high	24 Å²	24	47.8 Å²	47.8	13%	0.126	23%	0.234	C	C	.	.			trans	-62.9	131.4	178.3	-39.7	-176.9	0	0	0	110.3	L402 W444 D447 L469	L402-L453 HydrophobicContact CD1-CD1 3.42Å; L402-L453 VanDerWaalsContact CD1-CD1 3.42Å; W444-L453 HydrophobicContact CZ3-CB 3.89Å; D447-L453 WeakPolarHBondContact OD1-CA 3.42Å; D447-L453 WeakPolarHBondContact OD1-CD2 3.31Å; L453-L469 HydrophobicContact CB-CB 4.37Å; L453-L469 HydrophobicContact CD1-CD2 4.22Å; L453-L469 PolarHBondContact O-N 3.26Å
454	N	92.9	Very high	89.9	Confident	16 Å²	16	46.1 Å²	46.1	9%	0.086	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	141.3	-178.7	-167.2	2.7	0	0	0	111.3	Q445 N452 S466 W467	Q445-N454 PolarHBondContact N-O 2.97Å; N452-N454 PolarHBondContact O-N 2.99Å; N454-S466 PolarHBondContact ND2-OG 3.44Å; N454-S466 PolarHBondContact OD1-OG 3.31Å; N454-W467 PolarHBondContact OD1-N 3.48Å; N454-W467 PolarHBondContact OD1-O 2.89Å
455	F	95.1	Very high	89.8	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	159.1	170	67.2	-88.9	0	0	0	110	A404 V412 I414 K443 W444 W467 L474	A404-F455 HydrophobicContact CB-CD2 4.4Å; A404-F455 HydrophobicContact CB-CG 4.44Å; V412-F455 HydrophobicContact CG1-CE2 3.6Å; V412-F455 HydrophobicContact CG1-CZ 4.06Å; I414-F455 HydrophobicContact CD1-CE1 3.79Å; I414-F455 HydrophobicContact CD1-CZ 4.43Å; I414-F455 HydrophobicContact CG1-CE1 4.11Å; I414-F455 HydrophobicContact CG1-CZ 4.39Å; K443-F455 WeakPolarHBondContact O-CA 3.48Å; K443-F455 WeakPolarHBondContact O-CB 3.22Å; W444-F455 HydrophobicContact CD2-CB 3.95Å; W444-F455 HydrophobicContact CE3-CB 3.78Å; W444-F455 HydrophobicContact CE3-CD1 4.1Å; W444-F455 HydrophobicContact CE3-CG 4.38Å; W444-F455 HydrophobicContact CG-CB 4.35Å; W444-F455 AromaticContact CH2-CD1 3.71Å; W444-F455 HydrophobicContact CH2-CD1 3.71Å; W444-F455 HydrophobicContact CH2-CE1 4.26Å; W444-F455 HydrophobicContact CZ2-CD1 4.26Å; W444-F455 HydrophobicContact CZ3-CB 4.2Å; W444-F455 AromaticContact CZ3-CD1 3.62Å; W444-F455 HydrophobicContact CZ3-CD1 3.62Å; W444-F455 HydrophobicContact CZ3-CG 4.34Å; F455-W467 HydrophobicContact CD1-CB 4.12Å; F455-W467 HydrophobicContact CD2-CB 4.02Å; F455-W467 AromaticContact CD2-CD1 4Å; F455-W467 HydrophobicContact CD2-CG 4.29Å; F455-W467 HydrophobicContact CE1-CB 3.64Å; F455-W467 HydrophobicContact CE1-CG 4.5Å; F455-W467 HydrophobicContact CE2-CB 3.49Å; F455-W467 VanDerWaalsContact CE2-CB 3.49Å; F455-W467 AromaticContact CE2-CD1 3.47Å; F455-W467 VanDerWaalsContact CE2-CD1 3.47Å; F455-W467 HydrophobicContact CE2-CD2 4.47Å; F455-W467 AromaticContact CE2-CG 3.56Å; F455-W467 HydrophobicContact CE2-CG 3.56Å; F455-W467 HydrophobicContact CG-CB 4.31Å; F455-W467 HydrophobicContact CZ-CB 3.31Å; F455-W467 HydrophobicContact CZ-CD2 4.47Å; F455-W467 AromaticContact CZ-CG 3.71Å; F455-W467 HydrophobicContact CZ-CG 3.71Å; F455-W467 PolarHBondContact N-O 3.09Å; F455-W467 PolarHBondContact O-N 3.28Å; F455-L474 HydrophobicContact CE1-CD1 3.82Å; F455-L474 HydrophobicContact CZ-CD1 4.03Å; F455-L474 HydrophobicContact CZ-CD2 4.23Å
456	F	95.5	Very high	90	Very high	4 Å²	4	44.5 Å²	44.5	2%	0.018	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	156.2	-179.5	-76.9	-123	0	0	0	110.6	V442 K443 I464 V465 S466 V479 F506 F508 K530	V442-F456 VanDerWaalsContact CA-O 3.24Å; V442-F456 WeakPolarHBondContact CA-O 3.34Å; K443-F456 PolarHBondContact N-O 3.16Å; K443-F456 PolarHBondContact O-N 2.88Å; F456-I464 HydrophobicContact CD1-CG2 4.07Å; F456-V465 CarbonylContact C-O 3.54Å; F456-V465 VanDerWaalsContact CA-O 3.27Å; F456-V465 WeakPolarHBondContact CA-O 3.44Å; F456-S466 WeakPolarHBondContact CE2-OG 3.33Å; F456-V479 HydrophobicContact CE1-CB 4.3Å; F456-V479 HydrophobicContact CE1-CG1 4.3Å; F456-V479 HydrophobicContact CE1-CG2 3.81Å; F456-V479 HydrophobicContact CZ-CG2 4.42Å; F456-F506 HydrophobicContact CB-CE2 3.84Å; F456-F506 HydrophobicContact CB-CZ 3.79Å; F456-F508 HydrophobicContact CB-CE2 4.29Å; F456-F508 HydrophobicContact CB-CZ 3.9Å; F456-F508 HydrophobicContact CD1-CZ 4.05Å; F456-F508 HydrophobicContact CD2-CE2 4.32Å; F456-F508 AromaticContact CD2-CZ 3.65Å; F456-F508 HydrophobicContact CD2-CZ 3.65Å; F456-F508 HydrophobicContact CE1-CZ 4.47Å; F456-F508 HydrophobicContact CE2-CZ 4.14Å; F456-F508 HydrophobicContact CG-CE2 4.39Å; F456-F508 AromaticContact CG-CZ 3.62Å; F456-F508 HydrophobicContact CG-CZ 3.62Å; F456-K530 HydrophobicContact CE1-CG 4.48Å; F456-K530 HydrophobicContact CZ-CD 4.16Å; F456-K530 HydrophobicContact CZ-CG 4.25Å
457	S	96.4	Very high	90.3	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	153.3	172.8	62.1	0	0	0	0	112.3	H435 Q441 I464 V465 W467	H435-S457 PolarHBondContact NE2-OG 2.83Å; Q441-S457 WeakPolarHBondContact O-CA 3.49Å; S457-I464 WeakPolarHBondContact O-CA 3.49Å; S457-V465 PolarHBondContact N-O 2.89Å; S457-V465 PolarHBondContact O-N 2.74Å; S457-W467 PolarHBondContact OG-NE1 3.28Å
458	V	95.5	Very high	90.7	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	149.6	172	75	0	0	0	0	110.6	V439 W440 Q441 I464 F506 V518	V439-V458 CarbonylContact C-O 3.57Å; V439-V458 WeakPolarHBondContact CA-O 3.38Å; V439-V458 WeakPolarHBondContact CG1-O 3.45Å; W440-V458 PolarHBondContact N-O 3.42Å; Q441-V458 HydrophobicContact CB-CG1 3.85Å; Q441-V458 PolarHBondContact O-N 3.03Å; V458-I464 HydrophobicContact CB-CG1 4.5Å; V458-I464 HydrophobicContact CG2-CG1 3.95Å; V458-F506 HydrophobicContact CB-CD1 3.87Å; V458-F506 HydrophobicContact CB-CE1 4.31Å; V458-F506 HydrophobicContact CG1-CD1 3.63Å; V458-F506 HydrophobicContact CG1-CE1 4.17Å; V458-V518 HydrophobicContact CG2-CG1 4.26Å
459	S	95.3	Very high	91.2	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	160.7	-174.5	178.1	0	0	0	0	112	H435 D437 P438 D461 G462 G503	H435-S459 WeakPolarHBondContact ND1-CB 3.36Å; D437-S459 PolarHBondContact O-OG 3.15Å; D437-S459 VanDerWaalsContact O-OG 3.12Å; P438-S459 VanDerWaalsContact O-CA 3.24Å; P438-S459 WeakPolarHBondContact O-CA 3.16Å; P438-S459 VanDerWaalsContact O-CB 3.25Å; P438-S459 WeakPolarHBondContact O-CB 3.42Å; P438-S459 PolarHBondContact O-OG 3.31Å; S459-D461 WeakPolarHBondContact CB-OD1 3.31Å; S459-D461 PolarHBondContact O-N 3.42Å; S459-D461 VanDerWaalsContact O-N 3.15Å; S459-D461 PolarHBondContact OG-N 2.91Å; S459-G462 PolarHBondContact O-N 2.87Å; S459-G462 VanDerWaalsContact O-N 3.12Å; S459-G503 CarbonylContact C-O 3.6Å; S459-G503 VanDerWaalsContact C-O 3.27Å; S459-G503 PolarHBondContact O-N 2.93Å
460	S	91.9	Very high	91.6	Very high	23 Å²	23	26.3 Å²	26.3	16%	0.161	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-23.1	167.1	-41.3	0	0	0	0	112.8	P438 W440 G462 C502	P438-S460 PolarHBondContact O-N 3.2Å; W440-S460 PolarHBondContact NE1-OG 2.89Å; S460-G462 PolarHBondContact O-N 3.06Å; S460-C502 PolarHBondContact O-SG 2.92Å; S460-C502 VanDerWaalsContact O-SG 3.33Å
461	D	90.1	Very high	91.6	Very high	17 Å²	17	29 Å²	29	9%	0.091	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	6.7	176.8	87.7	-11.6	0	0	0	114.2	H435 S436 D437 S459 R463 V500	H435-D461 WeakPolarHBondContact CA-OD2 3.44Å; H435-D461 IonicContact CE1-OD1 2.66Å; H435-D461 IonicContact CG-OD1 3.23Å; H435-D461 IonicContact CG-OD2 3.59Å; H435-D461 IonicContact ND1-OD1 3.95Å; H435-D461 PolarHBondContact ND1-OD1 2.82Å; H435-D461 IonicContact ND1-OD2 3.61Å; H435-D461 PolarHBondContact ND1-OD2 2.96Å; S436-D461 PolarHBondContact N-OD2 3.44Å; D437-D461 HydrophobicContact CB-CB 4.16Å; D437-D461 WeakPolarHBondContact OD2-CB 3.37Å; S459-D461 WeakPolarHBondContact CB-OD1 3.31Å; S459-D461 PolarHBondContact O-N 3.42Å; S459-D461 VanDerWaalsContact O-N 3.15Å; S459-D461 PolarHBondContact OG-N 2.91Å; D461-R463 PolarHBondContact O-N 3.49Å; D461-R463 VanDerWaalsContact O-N 3.13Å; D461-R463 WeakPolarHBondContact OD1-CB 3.18Å; D461-R463 PolarHBondContact OD1-N 2.91Å; D461-R463 IonicContact OD1-NE 1.9Å; D461-R463 IonicContact OD2-CZ 3.36Å; D461-R463 VanDerWaalsContact OD2-CZ 3.23Å; D461-R463 IonicContact OD2-NE 3.05Å; D461-R463 PolarHBondContact OD2-NE 2.84Å; D461-R463 IonicContact OD2-NH2 3.78Å; D461-R463 PolarHBondContact OD2-NH2 3.32Å; D461-V500 WeakPolarHBondContact O-CG1 3.24Å
462	G	87.6	Confident	91.4	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.01	14%	0.144	C	C	.	.	S	Bend	trans	69.4	4.6	173.9	0	0	0	0	0	114.9	S459 S460 K481 L482 G501	S459-G462 PolarHBondContact O-N 2.87Å; S459-G462 VanDerWaalsContact O-N 3.12Å; S460-G462 PolarHBondContact O-N 3.06Å; G462-K481 WeakPolarHBondContact O-CA 3.43Å; G462-L482 WeakPolarHBondContact O-CB 2.92Å; G462-L482 PolarHBondContact O-N 3.22Å; G462-G501 WeakPolarHBondContact CA-O 3.28Å
463	R	91.3	Very high	91.1	Very high	40 Å²	40	37.6 Å²	37.6	15%	0.151	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	132	177.3	-58.8	-173.7	-72.5	152.6	-9.6	110.3	K434 H435 D461 V465 D478 K481	K434-R463 PolarHBondContact O-NH2 3.36Å; H435-R463 PolarHBondContact CE1-O 2.93Å; D461-R463 PolarHBondContact O-N 3.49Å; D461-R463 VanDerWaalsContact O-N 3.13Å; D461-R463 WeakPolarHBondContact OD1-CB 3.18Å; D461-R463 PolarHBondContact OD1-N 2.91Å; D461-R463 IonicContact OD1-NE 1.9Å; D461-R463 IonicContact OD2-CZ 3.36Å; D461-R463 VanDerWaalsContact OD2-CZ 3.23Å; D461-R463 IonicContact OD2-NE 3.05Å; D461-R463 PolarHBondContact OD2-NE 2.84Å; D461-R463 IonicContact OD2-NH2 3.78Å; D461-R463 PolarHBondContact OD2-NH2 3.32Å; R463-V465 HydrophobicContact CB-CG2 3.84Å; R463-D478 IonicContact NH1-OD1 2.97Å; R463-D478 PolarHBondContact NH1-OD1 2.83Å; R463-D478 VanDerWaalsContact NH1-OD1 3.11Å; R463-D478 IonicContact NH1-OD2 2.69Å; R463-K481 HydrophobicContact CG-CG 4.38Å
464	I	93.5	Very high	91	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	118.1	160.3	-60.6	112.5	0	0	0	107.3	F456 S457 V458 V479 I480 L482 F516 V518	F456-I464 HydrophobicContact CD1-CG2 4.07Å; S457-I464 WeakPolarHBondContact O-CA 3.49Å; V458-I464 HydrophobicContact CB-CG1 4.5Å; V458-I464 HydrophobicContact CG2-CG1 3.95Å; I464-V479 PolarHBondContact O-N 2.96Å; I464-I480 HydrophobicContact CB-CB 4.32Å; I464-I480 HydrophobicContact CD1-CB 3.73Å; I464-I480 HydrophobicContact CD1-CG2 3.66Å; I464-I480 PolarHBondContact N-O 3.16Å; I464-I480 PolarHBondContact O-N 2.81Å; I464-L482 HydrophobicContact CD1-CD1 4.3Å; I464-L482 HydrophobicContact CD1-CD2 4.12Å; I464-L482 HydrophobicContact CD1-CG 3.97Å; I464-F516 HydrophobicContact CG2-CE2 4.04Å; I464-F516 HydrophobicContact CG2-CZ 4.26Å; I464-V518 HydrophobicContact CD1-CG1 4.26Å; I464-V518 HydrophobicContact CD1-CG2 3.97Å; I464-V518 HydrophobicContact CG1-CG2 4.26Å
465	V	93.9	Very high	91	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	129	-169.9	-176.7	0	0	0	0	110	H435 F456 S457 R463 W467 H476 I477	H435-V465 VanDerWaalsContact CE1-CG2 3.44Å; H435-V465 WeakPolarHBondContact CE1-CG2 3.26Å; F456-V465 CarbonylContact C-O 3.54Å; F456-V465 VanDerWaalsContact CA-O 3.27Å; F456-V465 WeakPolarHBondContact CA-O 3.44Å; S457-V465 PolarHBondContact N-O 2.89Å; S457-V465 PolarHBondContact O-N 2.74Å; R463-V465 HydrophobicContact CB-CG2 3.84Å; V465-W467 HydrophobicContact CG1-CD2 4.14Å; V465-W467 HydrophobicContact CG1-CG 4.43Å; V465-W467 HydrophobicContact CG1-CZ2 4.03Å; V465-H476 HydrophobicContact CG1-CB 3.83Å; V465-I477 WeakPolarHBondContact CA-O 3.49Å
466	S	93.8	Very high	90.8	Very high	8 Å²	8	43 Å²	43	6%	0.056	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	136.8	169	-173.2	0	0	0	0	109	N454 F456 H476 I477	N454-S466 PolarHBondContact ND2-OG 3.44Å; N454-S466 PolarHBondContact OD1-OG 3.31Å; F456-S466 WeakPolarHBondContact CE2-OG 3.33Å; S466-H476 CarbonylContact O-C 3.59Å; S466-H476 WeakPolarHBondContact O-CA 3.34Å; S466-I477 PolarHBondContact N-O 3.36Å; S466-I477 PolarHBondContact O-N 3.48Å
467	W	94.3	Very high	90.6	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	102.7	-176.9	-62.6	92.3	0	0	0	111.1	V412 S428 S432 G433 N454 F455 S457 V465 L474 V475 H476	V412-W467 HydrophobicContact CB-CZ2 4.41Å; V412-W467 HydrophobicContact CG2-CZ2 3.95Å; S428-W467 VanDerWaalsContact CB-CH2 3.43Å; S432-W467 WeakPolarHBondContact O-CZ3 3.48Å; G433-W467 VanDerWaalsContact O-CH2 3.24Å; G433-W467 WeakPolarHBondContact O-CH2 3.12Å; N454-W467 PolarHBondContact OD1-N 3.48Å; N454-W467 PolarHBondContact OD1-O 2.89Å; F455-W467 HydrophobicContact CD1-CB 4.12Å; F455-W467 HydrophobicContact CD2-CB 4.02Å; F455-W467 AromaticContact CD2-CD1 4Å; F455-W467 HydrophobicContact CD2-CG 4.29Å; F455-W467 HydrophobicContact CE1-CB 3.64Å; F455-W467 HydrophobicContact CE1-CG 4.5Å; F455-W467 HydrophobicContact CE2-CB 3.49Å; F455-W467 VanDerWaalsContact CE2-CB 3.49Å; F455-W467 AromaticContact CE2-CD1 3.47Å; F455-W467 VanDerWaalsContact CE2-CD1 3.47Å; F455-W467 HydrophobicContact CE2-CD2 4.47Å; F455-W467 AromaticContact CE2-CG 3.56Å; F455-W467 HydrophobicContact CE2-CG 3.56Å; F455-W467 HydrophobicContact CG-CB 4.31Å; F455-W467 HydrophobicContact CZ-CB 3.31Å; F455-W467 HydrophobicContact CZ-CD2 4.47Å; F455-W467 AromaticContact CZ-CG 3.71Å; F455-W467 HydrophobicContact CZ-CG 3.71Å; F455-W467 PolarHBondContact N-O 3.09Å; F455-W467 PolarHBondContact O-N 3.28Å; S457-W467 PolarHBondContact OG-NE1 3.28Å; V465-W467 HydrophobicContact CG1-CD2 4.14Å; V465-W467 HydrophobicContact CG1-CG 4.43Å; V465-W467 HydrophobicContact CG1-CZ2 4.03Å; W467-L474 HydrophobicContact CB-CD1 4.16Å; W467-L474 HydrophobicContact CB-CG 4.36Å; W467-L474 HydrophobicContact CD2-CD2 4.09Å; W467-L474 HydrophobicContact CD2-CG 4.43Å; W467-L474 HydrophobicContact CE3-CD2 3.43Å; W467-L474 VanDerWaalsContact CE3-CD2 3.43Å; W467-L474 HydrophobicContact CE3-CG 3.65Å; W467-L474 HydrophobicContact CZ3-CD2 3.84Å; W467-L474 HydrophobicContact CZ3-CG 4.31Å; W467-V475 CarbonylContact C-O 3.56Å; W467-V475 VanDerWaalsContact CA-O 3.28Å; W467-V475 WeakPolarHBondContact CA-O 3.49Å; W467-H476 HydrophobicContact CD2-CB 4.18Å; W467-H476 HydrophobicContact CE3-CB 3.59Å; W467-H476 HydrophobicContact CH2-CB 4.09Å; W467-H476 HydrophobicContact CZ3-CB 3.56Å
468	T	93	Very high	90.3	Very high	12 Å²	12	49.9 Å²	49.9	7%	0.074	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	125.9	-178.5	-48.3	0	0	0	0	110.6	N452 V470 V475	N452-T468 HydrophobicContact CB-CG2 3.52Å; T468-V470 HydrophobicContact CG2-CG2 3.94Å; T468-V470 PolarHBondContact O-N 3.29Å; T468-V470 VanDerWaalsContact O-N 3.09Å; T468-V475 PolarHBondContact N-O 3.17Å; T468-V475 PolarHBondContact O-N 3.43Å
469	L	90	Very high	90	Very high	21 Å²	21	50.6 Å²	50.6	11%	0.11	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	75.4	-178.7	-172.9	62.6	0	0	0	112	I414 F426 L453 K471 L474	I414-L469 HydrophobicContact CD1-CD1 4.08Å; I414-L469 HydrophobicContact CD1-CD2 4.19Å; F426-L469 HydrophobicContact CD1-CD1 4.16Å; F426-L469 HydrophobicContact CD2-CD1 3.73Å; F426-L469 HydrophobicContact CD2-CD2 4.25Å; F426-L469 HydrophobicContact CE1-CD1 4.22Å; F426-L469 HydrophobicContact CE2-CD1 3.79Å; F426-L469 HydrophobicContact CE2-CD2 3.91Å; F426-L469 HydrophobicContact CE2-CG 4.42Å; F426-L469 HydrophobicContact CG-CD1 3.92Å; F426-L469 HydrophobicContact CZ-CD1 4.03Å; L453-L469 HydrophobicContact CB-CB 4.37Å; L453-L469 HydrophobicContact CD1-CD2 4.22Å; L453-L469 PolarHBondContact O-N 3.26Å; L469-K471 PolarHBondContact O-N 2.82Å; L469-K471 VanDerWaalsContact O-N 3.14Å; L469-L474 HydrophobicContact CD1-CD1 4.17Å
470	V	87.3	Confident	89.8	Confident	54 Å²	54	50.9 Å²	50.9	33%	0.327	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	101.5	-179.1	-173.7	0	0	0	0	110.9	T468 R472 K473 V475	T468-V470 HydrophobicContact CG2-CG2 3.94Å; T468-V470 PolarHBondContact O-N 3.29Å; T468-V470 VanDerWaalsContact O-N 3.09Å; V470-R472 VanDerWaalsContact C-N 3.29Å; V470-R472 PolarHBondContact O-N 3.45Å; V470-K473 PolarHBondContact N-O 3.26Å; V470-K473 PolarHBondContact O-N 2.74Å; V470-V475 HydrophobicContact CB-CG2 4.19Å; V470-V475 HydrophobicContact CG2-CG2 3.95Å
471	K	82.2	Confident	89.6	Confident	191 Å²	191	55.2 Å²	55.2	83%	0.83	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.4	-68.9	176.4	-59.2	174.8	-179.2	173.8	0	115.5	L469	L469-K471 PolarHBondContact O-N 2.82Å; L469-K471 VanDerWaalsContact O-N 3.14Å
472	R	78.8	Confident	89.4	Confident	217 Å²	217	54.5 Å²	54.5	82%	0.819	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-147.9	8.2	179	-66.7	-168.7	-176.3	-176.9	2.8	113.1	F426 V470	F426-R472 HydrophobicContact CE1-CB 4.4Å; V470-R472 VanDerWaalsContact C-N 3.29Å; V470-R472 PolarHBondContact O-N 3.45Å
473	K	83.9	Confident	89.1	Confident	161 Å²	161	60.6 Å²	60.6	70%	0.7	28%	0.278	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.3	143.3	175.3	-69.5	-174.1	177.9	-177.4	0	108.7	V470	V470-K473 PolarHBondContact N-O 3.26Å; V470-K473 PolarHBondContact O-N 2.74Å
474	L	89.8	Confident	88.1	Confident	19 Å²	19	60 Å²	60	10%	0.099	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	117.5	168.6	-162.7	69.7	0	0	0	107.6	I414 F455 W467 L469	I414-L474 HydrophobicContact CD1-CD1 3.93Å; F455-L474 HydrophobicContact CE1-CD1 3.82Å; F455-L474 HydrophobicContact CZ-CD1 4.03Å; F455-L474 HydrophobicContact CZ-CD2 4.23Å; W467-L474 HydrophobicContact CB-CD1 4.16Å; W467-L474 HydrophobicContact CB-CG 4.36Å; W467-L474 HydrophobicContact CD2-CD2 4.09Å; W467-L474 HydrophobicContact CD2-CG 4.43Å; W467-L474 HydrophobicContact CE3-CD2 3.43Å; W467-L474 VanDerWaalsContact CE3-CD2 3.43Å; W467-L474 HydrophobicContact CE3-CG 3.65Å; W467-L474 HydrophobicContact CZ3-CD2 3.84Å; W467-L474 HydrophobicContact CZ3-CG 4.31Å; L469-L474 HydrophobicContact CD1-CD1 4.17Å
475	V	91.2	Very high	86.5	Confident	65 Å²	65	66 Å²	66	39%	0.394	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	139.6	176.5	-177	0	0	0	0	107.6	W467 T468 V470	W467-V475 CarbonylContact C-O 3.56Å; W467-V475 VanDerWaalsContact CA-O 3.28Å; W467-V475 WeakPolarHBondContact CA-O 3.49Å; T468-V475 PolarHBondContact N-O 3.17Å; T468-V475 PolarHBondContact O-N 3.43Å; V470-V475 HydrophobicContact CB-CG2 4.19Å; V470-V475 HydrophobicContact CG2-CG2 3.95Å
476	H	91.8	Very high	84.6	Confident	71 Å²	71	70 Å²	70	33%	0.329	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	147	179.3	74.8	-77.4	0	0	0	110.5	S432 V465 S466 W467	S432-H476 PolarHBondContact O-ND1 3.18Å; V465-H476 HydrophobicContact CG1-CB 3.83Å; S466-H476 CarbonylContact O-C 3.59Å; S466-H476 WeakPolarHBondContact O-CA 3.34Å; W467-H476 HydrophobicContact CD2-CB 4.18Å; W467-H476 HydrophobicContact CE3-CB 3.59Å; W467-H476 HydrophobicContact CH2-CB 4.09Å; W467-H476 HydrophobicContact CZ3-CB 3.56Å
477	I	91.6	Very high	82.5	Confident	99 Å²	99	71.9 Å²	71.9	51%	0.508	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	120.8	170.2	-57.2	179.3	0	0	0	107.5	V465 S466 V479	V465-I477 WeakPolarHBondContact CA-O 3.49Å; S466-I477 PolarHBondContact N-O 3.36Å; S466-I477 PolarHBondContact O-N 3.48Å; I477-V479 PolarHBondContact O-N 3.17Å; I477-V479 VanDerWaalsContact O-N 3.16Å
478	D	89.9	Confident	80	Confident	49 Å²	49	76.4 Å²	76.4	26%	0.262	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	107.5	170.2	-69.4	-17.8	0	0	0	108.3	R463 K481	R463-D478 IonicContact NH1-OD1 2.97Å; R463-D478 PolarHBondContact NH1-OD1 2.83Å; R463-D478 VanDerWaalsContact NH1-OD1 3.11Å; R463-D478 IonicContact NH1-OD2 2.69Å; D478-K481 WeakPolarHBondContact OD2-CE 3.24Å; D478-K481 IonicContact OD2-NZ 3.99Å; D478-K481 PolarHBondContact OD2-NZ 2.7Å
479	V	89.8	Confident	77.8	Confident	15 Å²	15	80.3 Å²	80.3	9%	0.091	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	-41.8	-175.4	-176.6	0	0	0	0	111.6	F456 I464 I477 S533	F456-V479 HydrophobicContact CE1-CB 4.3Å; F456-V479 HydrophobicContact CE1-CG1 4.3Å; F456-V479 HydrophobicContact CE1-CG2 3.81Å; F456-V479 HydrophobicContact CZ-CG2 4.42Å; I464-V479 PolarHBondContact O-N 2.96Å; I477-V479 PolarHBondContact O-N 3.17Å; I477-V479 VanDerWaalsContact O-N 3.16Å; V479-S533 WeakPolarHBondContact O-CA 3.48Å; V479-S533 WeakPolarHBondContact O-CB 3.25Å
480	I	89.5	Confident	75.4	Confident	5 Å²	5	87.7 Å²	87.7	3%	0.026	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	146.9	174.8	-69.9	-177.6	0	0	0	109	I464 L482 F516 C528 F536	I464-I480 HydrophobicContact CB-CB 4.32Å; I464-I480 HydrophobicContact CD1-CB 3.73Å; I464-I480 HydrophobicContact CD1-CG2 3.66Å; I464-I480 PolarHBondContact N-O 3.16Å; I464-I480 PolarHBondContact O-N 2.81Å; I480-L482 HydrophobicContact CG2-CD2 4.42Å; I480-F516 HydrophobicContact CD1-CE1 4.45Å; I480-F516 HydrophobicContact CD1-CE2 4.34Å; I480-F516 HydrophobicContact CD1-CZ 3.7Å; I480-F516 HydrophobicContact CG1-CZ 4.43Å; I480-C528 HydrophobicContact CD1-CB 3.5Å; I480-C528 VanDerWaalsContact CD1-SG 3.59Å; I480-F536 HydrophobicContact CG2-CE1 3.9Å
481	K	88.7	Confident	73.7	Confident	114 Å²	114	88.2 Å²	88.2	50%	0.496	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	109.7	170.4	-57.2	-166.6	178.6	-166.8	0	109.1	G462 R463 D478 K483	G462-K481 WeakPolarHBondContact O-CA 3.43Å; R463-K481 HydrophobicContact CG-CG 4.38Å; D478-K481 WeakPolarHBondContact OD2-CE 3.24Å; D478-K481 IonicContact OD2-NZ 3.99Å; D478-K481 PolarHBondContact OD2-NZ 2.7Å; K481-K483 PolarHBondContact O-N 3.09Å
482	L	86	Confident	72.2	Confident	3 Å²	3	85.5 Å²	85.5	2%	0.016	45%	0.452	C	S	.	.			trans	-65.1	124.5	177.9	-63.4	173.5	0	0	0	109.6	G462 I464 I480 G501 V518 T520 Y526 F536	G462-L482 WeakPolarHBondContact O-CB 2.92Å; G462-L482 PolarHBondContact O-N 3.22Å; I464-L482 HydrophobicContact CD1-CD1 4.3Å; I464-L482 HydrophobicContact CD1-CD2 4.12Å; I464-L482 HydrophobicContact CD1-CG 3.97Å; I480-L482 HydrophobicContact CG2-CD2 4.42Å; L482-G501 VanDerWaalsContact CB-O 3.25Å; L482-G501 WeakPolarHBondContact CB-O 3.31Å; L482-G501 WeakPolarHBondContact CD1-O 3.4Å; L482-G501 PolarHBondContact O-N 2.85Å; L482-V518 HydrophobicContact CD1-CG1 4.17Å; L482-T520 HydrophobicContact CD1-CG2 3.95Å; L482-Y526 HydrophobicContact CD2-CD2 4.03Å; L482-Y526 HydrophobicContact CD2-CE2 4.49Å; L482-F536 HydrophobicContact CD2-CE1 3.95Å; L482-F536 HydrophobicContact CD2-CZ 4.1Å
483	K	81.1	Confident	70.8	Confident	128 Å²	128	83.9 Å²	83.9	56%	0.557	45%	0.454	S	S	*	.	B	Isolated β-bridge	trans	-118.2	139.1	174.9	-64.1	-178.9	-179.4	-177.3	0	108.2	K481 E485	K481-K483 PolarHBondContact O-N 3.09Å; K483-E485 PolarHBondContact O-N 2.82Å
484	V	69.2	Low	69.3	Low	29 Å²	29	79.7 Å²	79.7	18%	0.176	46%	0.456	C	S	.	.			trans	-77.8	121	173.8	-176.4	0	0	0	0	108.9	S487 P499 E522	V484-S487 WeakPolarHBondContact CG1-OG 3.02Å; V484-P499 HydrophobicContact CB-CB 4.11Å; V484-P499 HydrophobicContact CB-CG 4.06Å; V484-P499 HydrophobicContact CG2-CB 4.03Å; V484-P499 PolarHBondContact N-O 2.97Å; V484-E522 WeakPolarHBondContact CG1-OE1 3.49Å; V484-E522 WeakPolarHBondContact CG2-OE1 3.29Å
485	E	61.6	Low	67.3	Low	125 Å²	125	84.4 Å²	84.4	58%	0.584	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	123.8	176.2	-65.7	-177.8	137.9	0	0	110.3	K483	K483-E485 PolarHBondContact O-N 2.82Å
486	G	54.1	Low	65.3	Low	84 Å²	84	88.4 Å²	88.4	87%	0.866	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	111.8	-5.8	169.6	0	0	0	0	0	117
487	S	48.2	Very low	63.3	Low	48 Å²	48	89.9 Å²	89.9	34%	0.336	51%	0.505	S	S	.	.			trans	-120.6	52.3	-172	44.7	0	0	0	0	114.4	V484 T489 P499	V484-S487 WeakPolarHBondContact CG1-OG 3.02Å; S487-T489 PolarHBondContact O-N 3.23Å; S487-T489 VanDerWaalsContact O-N 3.16Å; S487-P499 WeakPolarHBondContact O-CD 3.45Å; S487-P499 WeakPolarHBondContact O-CG 3.45Å; S487-P499 WeakPolarHBondContact OG-CG 3.02Å
488	T	43	Very low	61.6	Low	94 Å²	94	90.1 Å²	90.1	58%	0.577	50%	0.504	S	S	*	.			trans	-76.2	90.6	162.4	47.9	0	0	0	0	110.2	E490	T488-E490 PolarHBondContact O-N 3.13Å
489	T	45.8	Very low	60.2	Low	95 Å²	95	90.1 Å²	90.1	58%	0.583	51%	0.507	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71	109.1	165.9	32.8	0	0	0	0	109.6	S487 V491	S487-T489 PolarHBondContact O-N 3.23Å; S487-T489 VanDerWaalsContact O-N 3.16Å; T489-V491 PolarHBondContact O-N 3.21Å
490	E	41.1	Very low	59.5	Low	176 Å²	176	93.4 Å²	93.4	82%	0.822	53%	0.527	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.8	92.3	171.6	-66	-167.7	153.7	0	0	109.8	T488	T488-E490 PolarHBondContact O-N 3.13Å
491	V	50.2	Low	59.1	Low	64 Å²	64	93.3 Å²	93.3	39%	0.388	53%	0.527	S	S	.	.			trans	-68.7	132.8	171.3	-177.4	0	0	0	0	108.5	T489 E493 G494	T489-V491 PolarHBondContact O-N 3.21Å; V491-E493 PolarHBondContact O-N 3.1Å; V491-G494 PolarHBondContact O-N 3.41Å
492	P	50.6	Low	59.2	Low	134 Å²	134	89.5 Å²	89.5	87%	0.87	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	42.2	-177.5	-24.7	36.5	0	0	0	117.5
493	E	50.9	Low	59.4	Low	184 Å²	184	89.4 Å²	89.4	86%	0.86	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-150.1	13.1	173.7	-130.2	168.4	-155.4	0	0	113.7	V491 L495	V491-E493 PolarHBondContact O-N 3.1Å; E493-L495 VanDerWaalsContact C-N 3.31Å; E493-L495 PolarHBondContact O-N 3.13Å
494	G	51.6	Low	60	Low	72 Å²	72	84.3 Å²	84.3	74%	0.742	49%	0.493	S	S	*	.	S	Bend	trans	80.9	2.2	176.7	0	0	0	0	0	115.4	V491 Q496	V491-G494 PolarHBondContact O-N 3.41Å; G494-Q496 PolarHBondContact O-N 3.21Å; G494-Q496 VanDerWaalsContact O-N 3.15Å
495	L	47.2	Very low	61.2	Low	119 Å²	119	83 Å²	83	62%	0.623	49%	0.485	S	S	*	.			trans	-77.8	94.3	174.3	-133.4	86.8	0	0	0	110.6	E493 L497	E493-L495 VanDerWaalsContact C-N 3.31Å; E493-L495 PolarHBondContact O-N 3.13Å; L495-L497 HydrophobicContact CD2-CD2 4.32Å; L495-L497 PolarHBondContact O-N 3.17Å
496	Q	49	Very low	62.9	Low	148 Å²	148	77 Å²	77	69%	0.692	46%	0.457	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72	96.8	172.3	-74.2	-174	-17.2	0	0	110.8	G494 H498	G494-Q496 PolarHBondContact O-N 3.21Å; G494-Q496 VanDerWaalsContact O-N 3.15Å; Q496-H498 PolarHBondContact O-N 2.76Å
497	L	49.8	Very low	64.8	Low	102 Å²	102	73.5 Å²	73.5	53%	0.534	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	111.5	168.3	-66.3	177.1	0	0	0	109.2	L495 P499	L495-L497 HydrophobicContact CD2-CD2 4.32Å; L495-L497 PolarHBondContact O-N 3.17Å; L497-P499 VanDerWaalsContact O-CD 3.28Å; L497-P499 WeakPolarHBondContact O-CD 3.49Å
498	H	55.4	Low	67.1	Low	105 Å²	105	72 Å²	72	49%	0.486	41%	0.406	S	S	.	.			trans	-88.3	113.2	167.3	-69.2	-57.3	0	0	0	109.6	Q496 V500	Q496-H498 PolarHBondContact O-N 2.76Å; H498-V500 PolarHBondContact O-N 3.17Å
499	P	62.4	Low	69.5	Low	49 Å²	49	68 Å²	68	32%	0.318	38%	0.381	S	S	.	.	P	Polyproline II helix	trans	-59.6	135.1	169.5	17.5	-26.1	0	0	0	111.4	V484 S487 L497	V484-P499 HydrophobicContact CB-CB 4.11Å; V484-P499 HydrophobicContact CB-CG 4.06Å; V484-P499 HydrophobicContact CG2-CB 4.03Å; V484-P499 PolarHBondContact N-O 2.97Å; S487-P499 WeakPolarHBondContact O-CD 3.45Å; S487-P499 WeakPolarHBondContact O-CG 3.45Å; S487-P499 WeakPolarHBondContact OG-CG 3.02Å; L497-P499 VanDerWaalsContact O-CD 3.28Å; L497-P499 WeakPolarHBondContact O-CD 3.49Å
500	V	75.3	Confident	71.5	Confident	84 Å²	84	68.1 Å²	68.1	51%	0.509	37%	0.373	S	S	.	.	B	Isolated β-bridge	trans	-96.9	130.8	-177.6	176.8	0	0	0	0	108.3	D461 H498	D461-V500 WeakPolarHBondContact O-CG1 3.24Å; H498-V500 PolarHBondContact O-N 3.17Å
501	G	79.9	Confident	73.8	Confident	3 Å²	3	66.6 Å²	66.6	3%	0.031	37%	0.366	C	S	.	.	P	Polyproline II helix	trans	-78.9	124	-177.3	0	0	0	0	0	111.4	G462 L482 G503	G462-G501 WeakPolarHBondContact CA-O 3.28Å; L482-G501 VanDerWaalsContact CB-O 3.25Å; L482-G501 WeakPolarHBondContact CB-O 3.31Å; L482-G501 WeakPolarHBondContact CD1-O 3.4Å; L482-G501 PolarHBondContact O-N 2.85Å; G501-G503 PolarHBondContact O-N 3.01Å
502	C	90	Very high	75.7	Confident	34 Å²	34	66.1 Å²	66.1	23%	0.23	36%	0.361	C	S	.	.	P	Polyproline II helix	trans	-72.7	117.3	180	-67	0	0	0	0	110.9	S460 T520 E521	S460-C502 PolarHBondContact O-SG 2.92Å; S460-C502 VanDerWaalsContact O-SG 3.33Å; C502-T520 CarbonylContact O-C 3.57Å; C502-T520 WeakPolarHBondContact O-CA 3.32Å; C502-T520 WeakPolarHBondContact O-CB 3.36Å; C502-E521 HydrophobicContact CB-CB 3.78Å; C502-E521 VanDerWaalsContact CB-OE2 3.25Å; C502-E521 WeakPolarHBondContact CB-OE2 3.06Å; C502-E521 PolarHBondContact O-N 3.22Å
503	G	91.3	Very high	77.4	Confident	0 Å²	0	63 Å²	63	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	123.4	178.9	0	0	0	0	0	112	S459 G501	S459-G503 CarbonylContact C-O 3.6Å; S459-G503 VanDerWaalsContact C-O 3.27Å; S459-G503 PolarHBondContact O-N 2.93Å; G501-G503 PolarHBondContact O-N 3.01Å
504	T	93.9	Very high	79.3	Confident	21 Å²	21	59.7 Å²	59.7	13%	0.129	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	-44.7	-171.6	47.9	0	0	0	0	112.7	W440 G519 E521 V547	W440-T504 WeakPolarHBondContact CB-O 3.27Å; T504-G519 PolarHBondContact N-O 3.01Å; T504-G519 PolarHBondContact OG1-O 3.09Å; T504-G519 VanDerWaalsContact OG1-O 3.12Å; T504-E521 HydrophobicContact CG2-CB 4.14Å; T504-V547 WeakPolarHBondContact CB-O 3.45Å; T504-V547 PolarHBondContact OG1-O 3.34Å
505	A	94.7	Very high	81.2	Confident	1 Å²	1	56.9 Å²	56.9	1%	0.008	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	155.2	-176.9	0	0	0	0	0	111.8	V518 G519 V550	A505-V518 CarbonylContact O-C 3.54Å; A505-V518 WeakPolarHBondContact O-CA 3.36Å; A505-G519 PolarHBondContact O-N 2.8Å; A505-V550 HydrophobicContact CB-CG2 4.37Å
506	F	95.9	Very high	83.5	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	153.9	171.9	78.7	-78.6	0	0	0	113	Q441 K443 F456 V458 F508 L517 V518	Q441-F506 HydrophobicContact CB-CD1 3.92Å; Q441-F506 HydrophobicContact CB-CE1 3.92Å; Q441-F506 HydrophobicContact CG-CD1 4.33Å; Q441-F506 HydrophobicContact CG-CE1 4.22Å; Q441-F506 PolarHBondContact OE1-O 3.02Å; K443-F506 HydrophobicContact CB-CE2 4.02Å; K443-F506 HydrophobicContact CB-CZ 3.79Å; K443-F506 HydrophobicContact CD-CE2 4.41Å; K443-F506 VanDerWaalsContact CE-O 3.31Å; K443-F506 WeakPolarHBondContact CE-O 3.41Å; K443-F506 HydrophobicContact CG-CE2 4.36Å; K443-F506 HydrophobicContact CG-CZ 4.06Å; K443-F506 PolarHBondContact NZ-O 3.4Å; F456-F506 HydrophobicContact CB-CE2 3.84Å; F456-F506 HydrophobicContact CB-CZ 3.79Å; V458-F506 HydrophobicContact CB-CD1 3.87Å; V458-F506 HydrophobicContact CB-CE1 4.31Å; V458-F506 HydrophobicContact CG1-CD1 3.63Å; V458-F506 HydrophobicContact CG1-CE1 4.17Å; F506-F508 HydrophobicContact CE2-CD2 4.3Å; F506-F508 AromaticContact CE2-CE2 3.7Å; F506-F508 HydrophobicContact CE2-CE2 3.7Å; F506-F508 AromaticContact CE2-CZ 3.91Å; F506-F508 HydrophobicContact CE2-CZ 3.91Å; F506-L517 CarbonylContact C-O 3.55Å; F506-L517 WeakPolarHBondContact CA-O 3.49Å; F506-L517 WeakPolarHBondContact CB-O 3.43Å; F506-V518 HydrophobicContact CB-CG2 4.11Å
507	D	95.8	Very high	85.7	Confident	11 Å²	11	44.1 Å²	44.1	6%	0.059	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	140.6	170.8	-163.8	33.5	0	0	0	113.5	K443 K510 F516 L517 V550 W552	K443-D507 VanDerWaalsContact NZ-CB 3.35Å; K443-D507 IonicContact NZ-OD1 3.97Å; K443-D507 PolarHBondContact NZ-OD1 3.47Å; D507-K510 IonicContact OD1-NZ 2.71Å; D507-K510 PolarHBondContact OD1-NZ 3.44Å; D507-K510 VanDerWaalsContact OD1-NZ 3.14Å; D507-K510 IonicContact OD2-NZ 3.79Å; D507-K510 PolarHBondContact OD2-NZ 3.16Å; D507-F516 VanDerWaalsContact O-CA 3.32Å; D507-F516 WeakPolarHBondContact O-CA 3.31Å; D507-F516 WeakPolarHBondContact O-CB 3.39Å; D507-L517 PolarHBondContact N-O 2.83Å; D507-L517 PolarHBondContact O-N 3.23Å; D507-V550 WeakPolarHBondContact CB-O 3.47Å; D507-W552 PolarHBondContact O-NE1 3.17Å; D507-W552 VanDerWaalsContact OD2-CD1 3.32Å; D507-W552 PolarHBondContact OD2-N 3.34Å
508	F	94.7	Very high	87.8	Confident	17 Å²	17	39.3 Å²	39.3	8%	0.075	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	137.1	176.6	-70.4	-64.7	0	0	0	111.4	K443 Q445 F456 F506 K510 F516	K443-F508 HydrophobicContact CB-CD2 4.41Å; K443-F508 HydrophobicContact CB-CE2 4.28Å; Q445-F508 HydrophobicContact CB-CE2 4.48Å; Q445-F508 VanDerWaalsContact NE2-CG 3.34Å; F456-F508 HydrophobicContact CB-CE2 4.29Å; F456-F508 HydrophobicContact CB-CZ 3.9Å; F456-F508 HydrophobicContact CD1-CZ 4.05Å; F456-F508 HydrophobicContact CD2-CE2 4.32Å; F456-F508 AromaticContact CD2-CZ 3.65Å; F456-F508 HydrophobicContact CD2-CZ 3.65Å; F456-F508 HydrophobicContact CE1-CZ 4.47Å; F456-F508 HydrophobicContact CE2-CZ 4.14Å; F456-F508 HydrophobicContact CG-CE2 4.39Å; F456-F508 AromaticContact CG-CZ 3.62Å; F456-F508 HydrophobicContact CG-CZ 3.62Å; F506-F508 HydrophobicContact CE2-CD2 4.3Å; F506-F508 AromaticContact CE2-CE2 3.7Å; F506-F508 HydrophobicContact CE2-CE2 3.7Å; F506-F508 AromaticContact CE2-CZ 3.91Å; F506-F508 HydrophobicContact CE2-CZ 3.91Å; F508-K510 PolarHBondContact O-NZ 2.99Å; F508-F516 HydrophobicContact CD1-CB 3.69Å; F508-F516 HydrophobicContact CD1-CD1 4.47Å; F508-F516 HydrophobicContact CD1-CG 4.33Å; F508-F516 HydrophobicContact CE1-CB 4.03Å; F508-F516 HydrophobicContact CE1-CD1 4.14Å; F508-F516 HydrophobicContact CE1-CG 4.18Å
509	H	93.9	Very high	89.7	Confident	8 Å²	8	34.3 Å²	34.3	4%	0.037	17%	0.174	C	C	.	.			trans	-65.5	140	169.6	-179	-69.1	0	0	0	109.7	E511 I512 M515 W552 T557	H509-E511 PolarHBondContact ND1-N 2.77Å; H509-I512 PolarHBondContact CE1-N 3.17Å; H509-I512 PolarHBondContact ND1-N 3.2Å; H509-M515 HydrophobicContact CB-CB 4.12Å; H509-M515 HydrophobicContact CB-CG 4.42Å; H509-M515 WeakPolarHBondContact CB-O 3.4Å; H509-M515 PolarHBondContact N-O 3.46Å; H509-W552 HydrophobicContact CB-CD2 4.45Å; H509-W552 HydrophobicContact CB-CZ2 3.98Å; H509-W552 AromaticContact CD2-CH2 3.71Å; H509-W552 AromaticContact CD2-CZ2 3.98Å; H509-W552 AromaticContact CD2-CZ3 3.79Å; H509-T557 PolarHBondContact CD2-O 3.46Å; H509-T557 PolarHBondContact NE2-O 3.1Å; H509-T557 VanDerWaalsContact NE2-O 3.16Å
510	K	88.5	Confident	91.2	Very high	99 Å²	99	32 Å²	32	43%	0.43	16%	0.159	S	C	.	.	S	Bend	trans	-75.8	-32.4	-165.9	-49.8	-51.3	174.5	-145.1	0	114.6	D507 F508	D507-K510 IonicContact OD1-NZ 2.71Å; D507-K510 PolarHBondContact OD1-NZ 3.44Å; D507-K510 VanDerWaalsContact OD1-NZ 3.14Å; D507-K510 IonicContact OD2-NZ 3.79Å; D507-K510 PolarHBondContact OD2-NZ 3.16Å; F508-K510 PolarHBondContact O-NZ 2.99Å
511	E	88.9	Confident	92	Very high	144 Å²	144	33.1 Å²	33.1	67%	0.673	16%	0.158	S	C	*	.	S	Bend	trans	-98.7	-58.3	175.4	-61.4	179.7	170.7	0	0	113.2	H509 D513 T557	H509-E511 PolarHBondContact ND1-N 2.77Å; E511-D513 PolarHBondContact O-N 2.92Å; E511-T557 HydrophobicContact CB-CG2 4.43Å; E511-T557 VanDerWaalsContact CD-CG2 3.44Å; E511-T557 HydrophobicContact CG-CG2 3.79Å
512	I	90.4	Very high	92.5	Very high	54 Å²	54	36.6 Å²	36.6	28%	0.277	17%	0.174	S	C	.	.			trans	-68.7	87.8	178.1	-52.3	171.2	0	0	0	110.7	H509 Y514 M515	H509-I512 PolarHBondContact CE1-N 3.17Å; H509-I512 PolarHBondContact ND1-N 3.2Å; I512-Y514 VanDerWaalsContact C-N 3.3Å; I512-Y514 HydrophobicContact CG2-CD1 3.83Å; I512-Y514 HydrophobicContact CG2-CD2 4.11Å; I512-Y514 HydrophobicContact CG2-CE1 3.44Å; I512-Y514 VanDerWaalsContact CG2-CE1 3.44Å; I512-Y514 HydrophobicContact CG2-CE2 3.73Å; I512-Y514 HydrophobicContact CG2-CG 4.15Å; I512-Y514 PolarHBondContact O-N 3.42Å; I512-M515 HydrophobicContact CB-CB 4.26Å; I512-M515 HydrophobicContact CD1-CE 4.46Å; I512-M515 HydrophobicContact CG2-CB 3.82Å; I512-M515 PolarHBondContact O-N 3.13Å; I512-M515 VanDerWaalsContact O-N 3.09Å
513	D	87	Confident	92.5	Very high	68 Å²	68	35 Å²	35	36%	0.364	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-38.6	-174.1	171.3	72.1	0	0	0	114.6	Q445 E511 M515 K530	Q445-D513 PolarHBondContact NE2-OD1 2.69Å; E511-D513 PolarHBondContact O-N 2.92Å; D513-M515 VanDerWaalsContact C-N 3.25Å; D513-M515 PolarHBondContact O-N 2.85Å; D513-K530 WeakPolarHBondContact O-CE 3.37Å; D513-K530 PolarHBondContact O-NZ 3.45Å; D513-K530 VanDerWaalsContact O-NZ 3.08Å; D513-K530 IonicContact OD1-NZ 3.9Å; D513-K530 PolarHBondContact OD1-NZ 2.67Å; D513-K530 IonicContact OD2-NZ 2.71Å; D513-K530 PolarHBondContact OD2-NZ 3.17Å
514	Y	88.9	Confident	92.6	Very high	114 Å²	114	37.1 Å²	37.1	45%	0.447	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-13.9	-177.6	64.9	-102.4	0	0	0	114.1	I512 S529 K530	I512-Y514 VanDerWaalsContact C-N 3.3Å; I512-Y514 HydrophobicContact CG2-CD1 3.83Å; I512-Y514 HydrophobicContact CG2-CD2 4.11Å; I512-Y514 HydrophobicContact CG2-CE1 3.44Å; I512-Y514 VanDerWaalsContact CG2-CE1 3.44Å; I512-Y514 HydrophobicContact CG2-CE2 3.73Å; I512-Y514 HydrophobicContact CG2-CG 4.15Å; I512-Y514 PolarHBondContact O-N 3.42Å; Y514-S529 CarbonylContact O-C 3.44Å; Y514-S529 VanDerWaalsContact O-CA 3.31Å; Y514-S529 WeakPolarHBondContact O-CA 3.38Å; Y514-K530 PolarHBondContact O-N 3.15Å
515	M	92.8	Very high	92.7	Very high	13 Å²	13	36.1 Å²	36.1	6%	0.064	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	134.6	-173	-174	178.1	-64.2	0	0	112.4	H509 I512 D513 K527 L537 W552	H509-M515 HydrophobicContact CB-CB 4.12Å; H509-M515 HydrophobicContact CB-CG 4.42Å; H509-M515 WeakPolarHBondContact CB-O 3.4Å; H509-M515 PolarHBondContact N-O 3.46Å; I512-M515 HydrophobicContact CB-CB 4.26Å; I512-M515 HydrophobicContact CD1-CE 4.46Å; I512-M515 HydrophobicContact CG2-CB 3.82Å; I512-M515 PolarHBondContact O-N 3.13Å; I512-M515 VanDerWaalsContact O-N 3.09Å; D513-M515 VanDerWaalsContact C-N 3.25Å; D513-M515 PolarHBondContact O-N 2.85Å; M515-K527 HydrophobicContact SD-CG 4.49Å; M515-L537 HydrophobicContact CE-CD1 4.14Å; M515-W552 HydrophobicContact SD-CH2 4.38Å; M515-W552 HydrophobicContact SD-CZ2 4.43Å
516	F	94.5	Very high	92.6	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	164.5	171.1	59.8	-78.5	0	0	0	111.7	I464 I480 D507 F508 V518 C528 K530	I464-F516 HydrophobicContact CG2-CE2 4.04Å; I464-F516 HydrophobicContact CG2-CZ 4.26Å; I480-F516 HydrophobicContact CD1-CE1 4.45Å; I480-F516 HydrophobicContact CD1-CE2 4.34Å; I480-F516 HydrophobicContact CD1-CZ 3.7Å; I480-F516 HydrophobicContact CG1-CZ 4.43Å; D507-F516 VanDerWaalsContact O-CA 3.32Å; D507-F516 WeakPolarHBondContact O-CA 3.31Å; D507-F516 WeakPolarHBondContact O-CB 3.39Å; F508-F516 HydrophobicContact CD1-CB 3.69Å; F508-F516 HydrophobicContact CD1-CD1 4.47Å; F508-F516 HydrophobicContact CD1-CG 4.33Å; F508-F516 HydrophobicContact CE1-CB 4.03Å; F508-F516 HydrophobicContact CE1-CD1 4.14Å; F508-F516 HydrophobicContact CE1-CG 4.18Å; F516-V518 HydrophobicContact CD2-CG2 3.59Å; F516-V518 HydrophobicContact CE2-CG2 3.52Å; F516-C528 HydrophobicContact CD1-CB 3.99Å; F516-C528 HydrophobicContact CD2-CB 3.69Å; F516-C528 HydrophobicContact CE1-CB 3.76Å; F516-C528 HydrophobicContact CE2-CB 3.44Å; F516-C528 VanDerWaalsContact CE2-CB 3.44Å; F516-C528 HydrophobicContact CG-CB 3.96Å; F516-C528 HydrophobicContact CZ-CB 3.49Å; F516-C528 VanDerWaalsContact CZ-CB 3.49Å; F516-C528 PolarHBondContact N-O 3.1Å; F516-C528 VanDerWaalsContact N-O 3.1Å; F516-C528 PolarHBondContact O-N 2.93Å; F516-K530 HydrophobicContact CD1-CG 4.42Å; F516-K530 HydrophobicContact CE1-CG 4.14Å
517	L	95.4	Very high	92.5	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	146.3	171.4	-59.2	173.8	0	0	0	109	F506 D507 I525 Y526 K527 Y540 V550 W552 F560	F506-L517 CarbonylContact C-O 3.55Å; F506-L517 WeakPolarHBondContact CA-O 3.49Å; F506-L517 WeakPolarHBondContact CB-O 3.43Å; D507-L517 PolarHBondContact N-O 2.83Å; D507-L517 PolarHBondContact O-N 3.23Å; L517-I525 HydrophobicContact CB-CG2 4.13Å; L517-I525 HydrophobicContact CD2-CG2 4.48Å; L517-Y526 CarbonylContact C-O 3.59Å; L517-Y526 WeakPolarHBondContact CA-O 3.42Å; L517-K527 HydrophobicContact CD2-CB 4.1Å; L517-K527 HydrophobicContact CD2-CG 4.04Å; L517-Y540 HydrophobicContact CD2-CE2 4.33Å; L517-V550 HydrophobicContact CB-CG1 3.91Å; L517-V550 HydrophobicContact CD1-CG1 3.94Å; L517-W552 HydrophobicContact CD1-CD2 4.23Å; L517-W552 HydrophobicContact CD1-CH2 4.11Å; L517-W552 HydrophobicContact CD1-CZ2 3.56Å; L517-W552 HydrophobicContact CD2-CH2 4.47Å; L517-W552 HydrophobicContact CD2-CZ2 3.95Å; L517-W552 HydrophobicContact CG-CH2 4.31Å; L517-W552 HydrophobicContact CG-CZ2 3.47Å; L517-W552 VanDerWaalsContact CG-CZ2 3.47Å; L517-F560 HydrophobicContact CD1-CB 3.75Å; L517-F560 HydrophobicContact CD1-CD1 3.44Å; L517-F560 VanDerWaalsContact CD1-CD1 3.44Å; L517-F560 HydrophobicContact CD1-CD2 3.51Å; L517-F560 HydrophobicContact CD1-CE1 3.78Å; L517-F560 HydrophobicContact CD1-CE2 3.86Å; L517-F560 HydrophobicContact CD1-CG 3.28Å; L517-F560 HydrophobicContact CD1-CZ 3.98Å
518	V	95	Very high	92.3	Very high	0 Å²	0	37 Å²	37	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	120.3	173.8	-174.7	0	0	0	0	109.3	V458 I464 L482 A505 F506 F516 I525 Y526	V458-V518 HydrophobicContact CG2-CG1 4.26Å; I464-V518 HydrophobicContact CD1-CG1 4.26Å; I464-V518 HydrophobicContact CD1-CG2 3.97Å; I464-V518 HydrophobicContact CG1-CG2 4.26Å; L482-V518 HydrophobicContact CD1-CG1 4.17Å; A505-V518 CarbonylContact O-C 3.54Å; A505-V518 WeakPolarHBondContact O-CA 3.36Å; F506-V518 HydrophobicContact CB-CG2 4.11Å; F516-V518 HydrophobicContact CD2-CG2 3.59Å; F516-V518 HydrophobicContact CE2-CG2 3.52Å; V518-I525 CarbonylContact O-C 3.58Å; V518-I525 VanDerWaalsContact O-CA 3.31Å; V518-I525 WeakPolarHBondContact O-CA 3.42Å; V518-Y526 PolarHBondContact N-O 2.86Å; V518-Y526 PolarHBondContact O-N 3Å
519	G	94.9	Very high	92.1	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	148.9	168.1	0	0	0	0	0	111.5	T504 A505	T504-G519 PolarHBondContact N-O 3.01Å; T504-G519 PolarHBondContact OG1-O 3.09Å; T504-G519 VanDerWaalsContact OG1-O 3.12Å; A505-G519 PolarHBondContact O-N 2.8Å
520	T	94.1	Very high	91.8	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	164.3	177.2	64.9	0	0	0	0	113.3	L482 C502 E522 G523 K524 Y526 V547	L482-T520 HydrophobicContact CD1-CG2 3.95Å; C502-T520 CarbonylContact O-C 3.57Å; C502-T520 WeakPolarHBondContact O-CA 3.32Å; C502-T520 WeakPolarHBondContact O-CB 3.36Å; T520-E522 PolarHBondContact O-N 3.15Å; T520-G523 PolarHBondContact O-N 3.27Å; T520-G523 VanDerWaalsContact O-N 3.17Å; T520-K524 PolarHBondContact N-O 3.12Å; T520-K524 PolarHBondContact OG1-O 2.91Å; T520-Y526 HydrophobicContact CG2-CD2 3.82Å; T520-Y526 HydrophobicContact CG2-CE2 3.72Å; T520-V547 PolarHBondContact O-N 2.88Å
521	E	92.1	Very high	91.5	Very high	108 Å²	108	37.7 Å²	37.7	51%	0.505	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-23.6	172.8	-163.2	173.8	164.2	0	0	112.4	C502 T504 G523 S546	C502-E521 HydrophobicContact CB-CB 3.78Å; C502-E521 VanDerWaalsContact CB-OE2 3.25Å; C502-E521 WeakPolarHBondContact CB-OE2 3.06Å; C502-E521 PolarHBondContact O-N 3.22Å; T504-E521 HydrophobicContact CG2-CB 4.14Å; E521-G523 PolarHBondContact O-N 3.43Å; E521-S546 WeakPolarHBondContact O-CA 3.33Å; E521-S546 PolarHBondContact O-N 3.21Å
522	E	90	Very high	91	Very high	76 Å²	76	37.7 Å²	37.7	36%	0.355	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-3.1	177.1	-49.3	-169.6	137.9	0	0	114.3	V484 T520 K524	V484-E522 WeakPolarHBondContact CG1-OE1 3.49Å; V484-E522 WeakPolarHBondContact CG2-OE1 3.29Å; T520-E522 PolarHBondContact O-N 3.15Å; E522-K524 VanDerWaalsContact C-N 3.3Å; E522-K524 PolarHBondContact O-N 2.71Å
523	G	90.9	Very high	90.2	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.01	19%	0.192	C	C	.	.	S	Bend	trans	82	1.8	-175.5	0	0	0	0	0	115.2	T520 E521 A542 H543 M545	T520-G523 PolarHBondContact O-N 3.27Å; T520-G523 VanDerWaalsContact O-N 3.17Å; E521-G523 PolarHBondContact O-N 3.43Å; G523-A542 WeakPolarHBondContact O-CB 3.24Å; G523-A542 PolarHBondContact O-N 2.99Å; G523-H543 WeakPolarHBondContact CA-O 3.37Å; G523-H543 PolarHBondContact O-N 3.01Å; G523-M545 WeakPolarHBondContact CA-O 3.42Å; G523-M545 PolarHBondContact N-O 3.04Å
524	K	92.8	Very high	89.6	Confident	45 Å²	45	40.6 Å²	40.6	20%	0.196	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	152.9	174.5	-70	176.3	179.7	168.9	0	111.6	T520 E522 Y526 T539 Y540 D541	T520-K524 PolarHBondContact N-O 3.12Å; T520-K524 PolarHBondContact OG1-O 2.91Å; E522-K524 VanDerWaalsContact C-N 3.3Å; E522-K524 PolarHBondContact O-N 2.71Å; K524-Y526 HydrophobicContact CB-CE2 3.99Å; K524-Y526 WeakPolarHBondContact CD-OH 3.45Å; K524-T539 HydrophobicContact CD-CG2 4.44Å; K524-Y540 WeakPolarHBondContact CA-O 3.24Å; K524-D541 VanDerWaalsContact CE-OD1 3.29Å; K524-D541 WeakPolarHBondContact CE-OD1 3.46Å
525	I	95	Very high	89	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	119.8	167.9	-58.8	173.9	0	0	0	108.4	L517 V518 Y540 A542 V547 V550 F560	L517-I525 HydrophobicContact CB-CG2 4.13Å; L517-I525 HydrophobicContact CD2-CG2 4.48Å; V518-I525 CarbonylContact O-C 3.58Å; V518-I525 VanDerWaalsContact O-CA 3.31Å; V518-I525 WeakPolarHBondContact O-CA 3.42Å; I525-Y540 HydrophobicContact CB-CD2 4.19Å; I525-Y540 HydrophobicContact CG2-CD2 4.16Å; I525-Y540 PolarHBondContact N-O 3.01Å; I525-Y540 WeakPolarHBondContact O-CD2 3.22Å; I525-Y540 PolarHBondContact O-N 3.2Å; I525-A542 HydrophobicContact CB-CB 4.39Å; I525-A542 HydrophobicContact CD1-CB 3.62Å; I525-A542 HydrophobicContact CG1-CB 3.75Å; I525-V547 HydrophobicContact CD1-CG1 4.13Å; I525-V547 HydrophobicContact CG1-CG1 4.17Å; I525-V547 HydrophobicContact CG1-CG2 4.02Å; I525-V550 HydrophobicContact CD1-CG2 4.18Å; I525-V550 HydrophobicContact CG1-CG2 4.46Å; I525-F560 HydrophobicContact CD1-CE2 4Å; I525-F560 HydrophobicContact CG2-CE2 4.45Å
526	Y	93.3	Very high	88.7	Confident	4 Å²	4	43.9 Å²	43.9	2%	0.016	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	134.8	176.5	-64.9	-79	0	0	0	110.5	L482 L517 V518 T520 K524 F536 T539	L482-Y526 HydrophobicContact CD2-CD2 4.03Å; L482-Y526 HydrophobicContact CD2-CE2 4.49Å; L517-Y526 CarbonylContact C-O 3.59Å; L517-Y526 WeakPolarHBondContact CA-O 3.42Å; V518-Y526 PolarHBondContact N-O 2.86Å; V518-Y526 PolarHBondContact O-N 3Å; T520-Y526 HydrophobicContact CG2-CD2 3.82Å; T520-Y526 HydrophobicContact CG2-CE2 3.72Å; K524-Y526 HydrophobicContact CB-CE2 3.99Å; K524-Y526 WeakPolarHBondContact CD-OH 3.45Å; Y526-F536 HydrophobicContact CD1-CB 4.25Å; Y526-F536 HydrophobicContact CD1-CD1 4.04Å; Y526-F536 AromaticContact CD1-CD2 3.47Å; Y526-F536 HydrophobicContact CD1-CD2 3.47Å; Y526-F536 VanDerWaalsContact CD1-CD2 3.47Å; Y526-F536 HydrophobicContact CD1-CE1 4.27Å; Y526-F536 AromaticContact CD1-CE2 3.74Å; Y526-F536 HydrophobicContact CD1-CE2 3.74Å; Y526-F536 AromaticContact CD1-CG 3.63Å; Y526-F536 HydrophobicContact CD1-CG 3.63Å; Y526-F536 HydrophobicContact CD1-CZ 4.14Å; Y526-F536 AromaticContact CE1-CD2 3.71Å; Y526-F536 HydrophobicContact CE1-CD2 3.71Å; Y526-F536 AromaticContact CE1-CE2 3.68Å; Y526-F536 HydrophobicContact CE1-CE2 3.68Å; Y526-F536 HydrophobicContact CE1-CG 4.35Å; Y526-F536 HydrophobicContact CE1-CZ 4.31Å; Y526-F536 HydrophobicContact CG-CD1 4.22Å; Y526-F536 HydrophobicContact CG-CD2 4.39Å; Y526-F536 HydrophobicContact CG-CE1 4.3Å; Y526-F536 HydrophobicContact CG-CE2 4.46Å; Y526-F536 HydrophobicContact CG-CG 4.26Å; Y526-F536 HydrophobicContact CG-CZ 4.43Å; Y526-T539 HydrophobicContact CD1-CG2 3.88Å; Y526-T539 WeakPolarHBondContact CD1-OG1 3.33Å; Y526-T539 HydrophobicContact CE1-CG2 3.62Å
527	K	93.3	Very high	88.4	Confident	25 Å²	25	47.7 Å²	47.7	11%	0.109	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	119.4	172.4	-170.3	-175.8	-170.6	170.1	0	108.4	M515 L517 L537 D538 Y540 H574	M515-K527 HydrophobicContact SD-CG 4.49Å; L517-K527 HydrophobicContact CD2-CB 4.1Å; L517-K527 HydrophobicContact CD2-CG 4.04Å; K527-L537 HydrophobicContact CB-CB 4.3Å; K527-L537 HydrophobicContact CD-CB 4.17Å; K527-L537 HydrophobicContact CG-CB 4.08Å; K527-L537 HydrophobicContact CG-CD1 4.39Å; K527-L537 WeakPolarHBondContact O-CB 3.25Å; K527-L537 PolarHBondContact O-N 2.85Å; K527-D538 HydrophobicContact CB-CB 3.85Å; K527-D538 WeakPolarHBondContact CB-O 3.46Å; K527-D538 HydrophobicContact CD-CB 3.69Å; K527-D538 HydrophobicContact CG-CB 4.45Å; K527-D538 PolarHBondContact N-O 2.78Å; K527-Y540 HydrophobicContact CB-CE2 4.18Å; K527-H574 PolarHBondContact NZ-O 2.79Å
528	C	91.8	Very high	88.1	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	154.4	-165	-69.2	0	0	0	0	112.3	I480 F516	I480-C528 HydrophobicContact CD1-CB 3.5Å; I480-C528 VanDerWaalsContact CD1-SG 3.59Å; F516-C528 HydrophobicContact CD1-CB 3.99Å; F516-C528 HydrophobicContact CD2-CB 3.69Å; F516-C528 HydrophobicContact CE1-CB 3.76Å; F516-C528 HydrophobicContact CE2-CB 3.44Å; F516-C528 VanDerWaalsContact CE2-CB 3.44Å; F516-C528 HydrophobicContact CG-CB 3.96Å; F516-C528 HydrophobicContact CZ-CB 3.49Å; F516-C528 VanDerWaalsContact CZ-CB 3.49Å; F516-C528 PolarHBondContact N-O 3.1Å; F516-C528 VanDerWaalsContact N-O 3.1Å; F516-C528 PolarHBondContact O-N 2.93Å
529	S	91.1	Very high	88	Confident	2 Å²	2	50.7 Å²	50.7	1%	0.014	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	137.4	170.9	-179	0	0	0	0	110.5	Y514 S531 Y532	Y514-S529 CarbonylContact O-C 3.44Å; Y514-S529 VanDerWaalsContact O-CA 3.31Å; Y514-S529 WeakPolarHBondContact O-CA 3.38Å; S529-S531 PolarHBondContact O-N 3.42Å; S529-S531 PolarHBondContact OG-N 3.05Å; S529-Y532 PolarHBondContact O-N 2.95Å
530	K	86.6	Confident	87.9	Confident	47 Å²	47	50.7 Å²	50.7	20%	0.204	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-31.9	172.1	-61.2	179.4	-165.8	170.1	0	112.8	Q445 F456 D513 Y514 F516	Q445-K530 VanDerWaalsContact CD-CE 3.48Å; Q445-K530 VanDerWaalsContact NE2-CE 3.34Å; F456-K530 HydrophobicContact CE1-CG 4.48Å; F456-K530 HydrophobicContact CZ-CD 4.16Å; F456-K530 HydrophobicContact CZ-CG 4.25Å; D513-K530 WeakPolarHBondContact O-CE 3.37Å; D513-K530 PolarHBondContact O-NZ 3.45Å; D513-K530 VanDerWaalsContact O-NZ 3.08Å; D513-K530 IonicContact OD1-NZ 3.9Å; D513-K530 PolarHBondContact OD1-NZ 2.67Å; D513-K530 IonicContact OD2-NZ 2.71Å; D513-K530 PolarHBondContact OD2-NZ 3.17Å; Y514-K530 PolarHBondContact O-N 3.15Å; F516-K530 HydrophobicContact CD1-CG 4.42Å; F516-K530 HydrophobicContact CE1-CG 4.14Å
531	S	82.2	Confident	87.8	Confident	91 Å²	91	56.7 Å²	56.7	64%	0.636	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-16.3	-173.2	-51.1	0	0	0	0	113.6	S529	S529-S531 PolarHBondContact O-N 3.42Å; S529-S531 PolarHBondContact OG-N 3.05Å
532	Y	79.4	Confident	87.8	Confident	144 Å²	144	51.8 Å²	51.8	57%	0.565	28%	0.275	S	S	*	.			trans	-124.3	87.1	-176	-64.4	-77.3	0	0	0	109.8	S529 S534	S529-Y532 PolarHBondContact O-N 2.95Å; Y532-S534 VanDerWaalsContact C-N 3.28Å; Y532-S534 PolarHBondContact O-N 3.13Å
533	S	74.1	Confident	88	Confident	78 Å²	78	48.7 Å²	48.7	55%	0.545	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-14.2	-176.3	53.6	0	0	0	0	115	V479	V479-S533 WeakPolarHBondContact O-CA 3.48Å; V479-S533 WeakPolarHBondContact O-CB 3.25Å
534	S	72.8	Confident	88.1	Confident	105 Å²	105	56 Å²	56	73%	0.734	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.3	-13.9	-169.2	55.3	0	0	0	0	115.2	Y532	Y532-S534 VanDerWaalsContact C-N 3.28Å; Y532-S534 PolarHBondContact O-N 3.13Å
535	Q	77.6	Confident	88.2	Confident	146 Å²	146	58.7 Å²	58.7	68%	0.682	31%	0.314	S	S	*	.	S	Bend	trans	-146	142.5	-175.2	-69.6	-177	-18.9	0	0	110.9
536	F	85.2	Confident	88.1	Confident	50 Å²	50	59.8 Å²	59.8	22%	0.219	32%	0.322	C	S	.	.			trans	-78.8	147	170.5	-48.2	-59.6	0	0	0	110.1	I480 L482 Y526	I480-F536 HydrophobicContact CG2-CE1 3.9Å; L482-F536 HydrophobicContact CD2-CE1 3.95Å; L482-F536 HydrophobicContact CD2-CZ 4.1Å; Y526-F536 HydrophobicContact CD1-CB 4.25Å; Y526-F536 HydrophobicContact CD1-CD1 4.04Å; Y526-F536 AromaticContact CD1-CD2 3.47Å; Y526-F536 HydrophobicContact CD1-CD2 3.47Å; Y526-F536 VanDerWaalsContact CD1-CD2 3.47Å; Y526-F536 HydrophobicContact CD1-CE1 4.27Å; Y526-F536 AromaticContact CD1-CE2 3.74Å; Y526-F536 HydrophobicContact CD1-CE2 3.74Å; Y526-F536 AromaticContact CD1-CG 3.63Å; Y526-F536 HydrophobicContact CD1-CG 3.63Å; Y526-F536 HydrophobicContact CD1-CZ 4.14Å; Y526-F536 AromaticContact CE1-CD2 3.71Å; Y526-F536 HydrophobicContact CE1-CD2 3.71Å; Y526-F536 AromaticContact CE1-CE2 3.68Å; Y526-F536 HydrophobicContact CE1-CE2 3.68Å; Y526-F536 HydrophobicContact CE1-CG 4.35Å; Y526-F536 HydrophobicContact CE1-CZ 4.31Å; Y526-F536 HydrophobicContact CG-CD1 4.22Å; Y526-F536 HydrophobicContact CG-CD2 4.39Å; Y526-F536 HydrophobicContact CG-CE1 4.3Å; Y526-F536 HydrophobicContact CG-CE2 4.46Å; Y526-F536 HydrophobicContact CG-CG 4.26Å; Y526-F536 HydrophobicContact CG-CZ 4.43Å
537	L	88.9	Confident	88.2	Confident	80 Å²	80	59.6 Å²	59.6	42%	0.419	32%	0.321	S	S	.	.	S	Bend	trans	-74.1	-33.7	175.1	-62.8	179.9	0	0	0	112	M515 K527	M515-L537 HydrophobicContact CE-CD1 4.14Å; K527-L537 HydrophobicContact CB-CB 4.3Å; K527-L537 HydrophobicContact CD-CB 4.17Å; K527-L537 HydrophobicContact CG-CB 4.08Å; K527-L537 HydrophobicContact CG-CD1 4.39Å; K527-L537 WeakPolarHBondContact O-CB 3.25Å; K527-L537 PolarHBondContact O-N 2.85Å
538	D	90.3	Very high	88.3	Confident	36 Å²	36	60.8 Å²	60.8	19%	0.193	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.7	162.9	176.8	-156.9	1.3	0	0	0	110	K527 K577	K527-D538 HydrophobicContact CB-CB 3.85Å; K527-D538 WeakPolarHBondContact CB-O 3.46Å; K527-D538 HydrophobicContact CD-CB 3.69Å; K527-D538 HydrophobicContact CG-CB 4.45Å; K527-D538 PolarHBondContact N-O 2.78Å; D538-K577 WeakPolarHBondContact OD1-CE 3.32Å; D538-K577 IonicContact OD1-NZ 2.7Å; D538-K577 PolarHBondContact OD1-NZ 3.43Å
539	T	91.9	Very high	88.4	Confident	26 Å²	26	61.4 Å²	61.4	16%	0.16	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	134.9	176.1	-53.8	0	0	0	0	109.7	K524 Y526 K577	K524-T539 HydrophobicContact CD-CG2 4.44Å; Y526-T539 HydrophobicContact CD1-CG2 3.88Å; Y526-T539 WeakPolarHBondContact CD1-OG1 3.33Å; Y526-T539 HydrophobicContact CE1-CG2 3.62Å; T539-K577 PolarHBondContact O-NZ 2.89Å
540	Y	93.1	Very high	88.7	Confident	1 Å²	1	61.4 Å²	61.4	0%	0.004	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	119.7	173.1	-49	-74.9	0	0	0	109.6	L517 K524 I525 K527 A542 F560 H574 K577	L517-Y540 HydrophobicContact CD2-CE2 4.33Å; K524-Y540 WeakPolarHBondContact CA-O 3.24Å; I525-Y540 HydrophobicContact CB-CD2 4.19Å; I525-Y540 HydrophobicContact CG2-CD2 4.16Å; I525-Y540 PolarHBondContact N-O 3.01Å; I525-Y540 WeakPolarHBondContact O-CD2 3.22Å; I525-Y540 PolarHBondContact O-N 3.2Å; K527-Y540 HydrophobicContact CB-CE2 4.18Å; Y540-A542 VanDerWaalsContact C-N 3.29Å; Y540-A542 PolarHBondContact O-N 3.06Å; Y540-F560 HydrophobicContact CD2-CZ 4.08Å; Y540-F560 HydrophobicContact CE2-CE1 4.28Å; Y540-F560 HydrophobicContact CE2-CZ 4.07Å; Y540-H574 WeakPolarHBondContact OH-CA 3.24Å; Y540-H574 PolarHBondContact OH-O 2.91Å; Y540-K577 HydrophobicContact CD1-CG 4.46Å; Y540-K577 HydrophobicContact CE1-CG 4.45Å
541	D	92.3	Very high	89.1	Confident	126 Å²	126	60.5 Å²	60.5	67%	0.674	33%	0.331	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.7	84.9	167.4	-57.8	-66.9	0	0	0	107.9	K524	K524-D541 VanDerWaalsContact CE-OD1 3.29Å; K524-D541 WeakPolarHBondContact CE-OD1 3.46Å
542	A	91.1	Very high	89.8	Confident	5 Å²	5	56.4 Å²	56.4	4%	0.041	30%	0.302	C	S	.	.			trans	-91.5	-41.6	-159.9	0	0	0	0	0	113.6	G523 I525 Y540 K570 W572	G523-A542 WeakPolarHBondContact O-CB 3.24Å; G523-A542 PolarHBondContact O-N 2.99Å; I525-A542 HydrophobicContact CB-CB 4.39Å; I525-A542 HydrophobicContact CD1-CB 3.62Å; I525-A542 HydrophobicContact CG1-CB 3.75Å; Y540-A542 VanDerWaalsContact C-N 3.29Å; Y540-A542 PolarHBondContact O-N 3.06Å; A542-K570 WeakPolarHBondContact O-CD 3.41Å; A542-K570 VanDerWaalsContact O-CE 3.28Å; A542-K570 WeakPolarHBondContact O-CE 3.33Å; A542-K570 PolarHBondContact O-NZ 3.25Å; A542-W572 HydrophobicContact CB-CH2 4.02Å; A542-W572 HydrophobicContact CB-CZ2 3.56Å
543	H	94.8	Very high	90.5	Very high	11 Å²	11	49.6 Å²	49.6	5%	0.051	28%	0.276	C	S	.	.			trans	-140.8	162.6	-171.9	-70.8	-90.9	0	0	0	111.6	G523 V547 S562 S564 D566 T568 K570	G523-H543 WeakPolarHBondContact CA-O 3.37Å; G523-H543 PolarHBondContact O-N 3.01Å; H543-V547 HydrophobicContact CB-CG2 4.43Å; H543-S562 PolarHBondContact NE2-OG 3.07Å; H543-S564 VanDerWaalsContact CG-CB 3.46Å; H543-S564 WeakPolarHBondContact ND1-CB 3.27Å; H543-D566 VanDerWaalsContact CA-OD2 3.27Å; H543-D566 WeakPolarHBondContact CA-OD2 3.13Å; H543-D566 VanDerWaalsContact CB-OD2 3.29Å; H543-D566 WeakPolarHBondContact CB-OD2 3.13Å; H543-D566 IonicContact CE1-OD1 3.14Å; H543-D566 IonicContact CG-OD1 2.83Å; H543-D566 IonicContact CG-OD2 2.7Å; H543-D566 VanDerWaalsContact ND1-CG 3.28Å; H543-D566 IonicContact ND1-OD1 2.66Å; H543-D566 PolarHBondContact ND1-OD1 2.63Å; H543-D566 IonicContact ND1-OD2 3.61Å; H543-D566 PolarHBondContact ND1-OD2 3.15Å; H543-D566 VanDerWaalsContact ND1-OD2 3.1Å; H543-T568 PolarHBondContact CE1-O 2.8Å; H543-T568 PolarHBondContact CE1-OG1 3.29Å; H543-T568 VanDerWaalsContact CE1-OG1 3.27Å; H543-T568 PolarHBondContact ND1-OG1 2.92Å; H543-T568 VanDerWaalsContact ND1-OG1 3.15Å; H543-K570 PolarHBondContact ND1-NZ 2.92Å
544	N	93.2	Very high	91.4	Very high	153 Å²	153	48.8 Å²	48.8	82%	0.818	27%	0.269	S	S	*	.	S	Bend	trans	-93.6	-3.2	178.9	-66.1	-19.5	0	0	0	113.5	D566	N544-D566 HydrophobicContact CB-CB 4.25Å; N544-D566 PolarHBondContact N-OD2 3.35Å
545	M	93.7	Very high	92.2	Very high	102 Å²	102	46.4 Å²	46.4	50%	0.502	24%	0.244	S	C	.	.	S	Bend	trans	-146.6	-178.8	178.9	-59.2	-169.7	77	0	0	109	G523 V547 S564 D566	G523-M545 WeakPolarHBondContact CA-O 3.42Å; G523-M545 PolarHBondContact N-O 3.04Å; M545-V547 PolarHBondContact O-N 2.9Å; M545-S564 PolarHBondContact O-OG 2.96Å; M545-D566 HydrophobicContact CB-CB 4.06Å; M545-D566 HydrophobicContact CG-CB 4.09Å
546	S	93.6	Very high	92.8	Very high	24 Å²	24	39.7 Å²	39.7	17%	0.168	21%	0.213	C	C	.	.			trans	-45.5	132.9	-177.8	58.8	0	0	0	0	114	E521 D548 S564	E521-S546 WeakPolarHBondContact O-CA 3.33Å; E521-S546 PolarHBondContact O-N 3.21Å; S546-D548 WeakPolarHBondContact CB-OD1 3.3Å; S546-D548 PolarHBondContact O-N 3.14Å; S546-D548 PolarHBondContact OG-OD1 2.86Å; S546-S564 VanDerWaalsContact O-CA 3.26Å; S546-S564 WeakPolarHBondContact O-CA 3.42Å; S546-S564 WeakPolarHBondContact O-CB 3.29Å; S546-S564 PolarHBondContact O-OG 3.27Å
547	V	95.9	Very high	93.1	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	104.1	170.4	-173.6	0	0	0	0	107.9	T504 T520 I525 H543 M545 V550	T504-V547 WeakPolarHBondContact CB-O 3.45Å; T504-V547 PolarHBondContact OG1-O 3.34Å; T520-V547 PolarHBondContact O-N 2.88Å; I525-V547 HydrophobicContact CD1-CG1 4.13Å; I525-V547 HydrophobicContact CG1-CG1 4.17Å; I525-V547 HydrophobicContact CG1-CG2 4.02Å; H543-V547 HydrophobicContact CB-CG2 4.43Å; M545-V547 PolarHBondContact O-N 2.9Å; V547-V550 HydrophobicContact CG1-CG2 3.58Å
548	D	94.1	Very high	93.2	Very high	49 Å²	49	39.9 Å²	39.9	26%	0.262	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	-25.2	-167.6	-60.1	-37.6	0	0	0	112.2	S546 C563 S565	S546-D548 WeakPolarHBondContact CB-OD1 3.3Å; S546-D548 PolarHBondContact O-N 3.14Å; S546-D548 PolarHBondContact OG-OD1 2.86Å; D548-C563 PolarHBondContact N-O 3.05Å; D548-S565 WeakPolarHBondContact OD2-CB 3.13Å; D548-S565 PolarHBondContact OD2-N 2.76Å; D548-S565 PolarHBondContact OD2-OG 2.99Å
549	T	95.5	Very high	93.4	Very high	14 Å²	14	38.1 Å²	38.1	9%	0.086	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	153.6	167.2	-142.5	0	0	0	0	111.8	S562 C563 D591 V592	T549-S562 WeakPolarHBondContact O-CA 3.19Å; T549-C563 VanDerWaalsContact CG2-SG 3.56Å; T549-C563 PolarHBondContact O-N 2.88Å; T549-D591 PolarHBondContact OG1-OD1 3.09Å; T549-V592 HydrophobicContact CG2-CB 4.44Å; T549-V592 HydrophobicContact CG2-CG1 3.49Å; T549-V592 VanDerWaalsContact CG2-CG1 3.49Å
550	V	96.4	Very high	93.6	Very high	1 Å²	1	36.9 Å²	36.9	1%	0.006	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	132.5	168.7	-178.4	0	0	0	0	108.9	A505 D507 L517 I525 V547 F560 M561	A505-V550 HydrophobicContact CB-CG2 4.37Å; D507-V550 WeakPolarHBondContact CB-O 3.47Å; L517-V550 HydrophobicContact CB-CG1 3.91Å; L517-V550 HydrophobicContact CD1-CG1 3.94Å; I525-V550 HydrophobicContact CD1-CG2 4.18Å; I525-V550 HydrophobicContact CG1-CG2 4.46Å; V547-V550 HydrophobicContact CG1-CG2 3.58Å; V550-F560 HydrophobicContact CG1-CD2 4.19Å; V550-M561 WeakPolarHBondContact CA-O 3.42Å
551	S	96.1	Very high	93.8	Very high	28 Å²	28	36.9 Å²	36.9	20%	0.196	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	118.5	-174.4	-163.1	0	0	0	0	112.7	F560 M561 W594	S551-F560 CarbonylContact O-C 3.57Å; S551-F560 WeakPolarHBondContact O-CA 3.33Å; S551-M561 PolarHBondContact N-O 3.15Å; S551-M561 PolarHBondContact O-N 3.27Å; S551-W594 PolarHBondContact O-NE1 2.73Å; S551-W594 VanDerWaalsContact O-NE1 3.07Å
552	W	96.2	Very high	94	Very high	5 Å²	5	30.9 Å²	30.9	2%	0.019	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	143.5	169.7	-70.6	99.2	0	0	0	110.8	D507 H509 M515 L517 T557 F560 H574	D507-W552 PolarHBondContact O-NE1 3.17Å; D507-W552 VanDerWaalsContact OD2-CD1 3.32Å; D507-W552 PolarHBondContact OD2-N 3.34Å; H509-W552 HydrophobicContact CB-CD2 4.45Å; H509-W552 HydrophobicContact CB-CZ2 3.98Å; H509-W552 AromaticContact CD2-CH2 3.71Å; H509-W552 AromaticContact CD2-CZ2 3.98Å; H509-W552 AromaticContact CD2-CZ3 3.79Å; M515-W552 HydrophobicContact SD-CH2 4.38Å; M515-W552 HydrophobicContact SD-CZ2 4.43Å; L517-W552 HydrophobicContact CD1-CD2 4.23Å; L517-W552 HydrophobicContact CD1-CH2 4.11Å; L517-W552 HydrophobicContact CD1-CZ2 3.56Å; L517-W552 HydrophobicContact CD2-CH2 4.47Å; L517-W552 HydrophobicContact CD2-CZ2 3.95Å; L517-W552 HydrophobicContact CG-CH2 4.31Å; L517-W552 HydrophobicContact CG-CZ2 3.47Å; L517-W552 VanDerWaalsContact CG-CZ2 3.47Å; W552-T557 VanDerWaalsContact CE3-O 3.28Å; W552-T557 WeakPolarHBondContact CZ3-O 3.31Å; W552-F560 HydrophobicContact CD2-CB 4.08Å; W552-F560 HydrophobicContact CE3-CB 3.9Å; W552-F560 HydrophobicContact CG-CB 4.45Å; W552-F560 HydrophobicContact CH2-CD1 4.46Å; W552-F560 HydrophobicContact CZ3-CB 4.39Å; W552-F560 HydrophobicContact CZ3-CD1 4.22Å; W552-H574 HydrophobicContact CH2-CB 3.66Å; W552-H574 AromaticContact CH2-CD2 3.75Å; W552-H574 AromaticContact CH2-CG 3.76Å; W552-H574 HydrophobicContact CZ3-CB 3.95Å; W552-H574 AromaticContact CZ3-CG 3.96Å
553	N	94.8	Very high	94.2	Very high	2 Å²	2	30.6 Å²	30.6	1%	0.011	16%	0.162	C	C	.	.			trans	-62.4	136.2	176.5	-170.4	-82.3	0	0	0	110.6	Y555 H556 V559 W594 S599	N553-Y555 PolarHBondContact O-N 2.91Å; N553-Y555 VanDerWaalsContact O-N 3.17Å; N553-Y555 PolarHBondContact OD1-N 3.35Å; N553-H556 HydrophobicContact CB-CB 4.39Å; N553-H556 PolarHBondContact OD1-N 3.22Å; N553-V559 HydrophobicContact CB-CB 4.24Å; N553-V559 HydrophobicContact CB-CG1 4.23Å; N553-V559 WeakPolarHBondContact CB-O 3.23Å; N553-V559 PolarHBondContact N-O 3.04Å; N553-W594 HydrophobicContact CB-CD2 4.45Å; N553-W594 HydrophobicContact CB-CZ2 4.16Å; N553-W594 VanDerWaalsContact ND2-CE3 3.27Å; N553-W594 WeakPolarHBondContact ND2-CH2 3.38Å; N553-W594 VanDerWaalsContact ND2-CZ3 3.26Å; N553-W594 WeakPolarHBondContact ND2-CZ3 3.44Å; N553-S599 PolarHBondContact ND2-O 3.28Å
554	P	91.3	Very high	94.3	Very high	61 Å²	61	30.1 Å²	30.1	40%	0.396	16%	0.16	S	C	.	.	S	Bend	trans	-62.8	-21.3	-179.2	-25.6	34.7	0	0	0	114.9	W594	P554-W594 VanDerWaalsContact CD-CB 3.44Å; P554-W594 HydrophobicContact CG-CB 3.8Å
555	Y	90.4	Very high	94.3	Very high	54 Å²	54	24.5 Å²	24.5	21%	0.212	13%	0.133	C	C	.	.	S	Bend	trans	-113.4	-44.2	-175.8	-66.5	-84.1	0	0	0	113.3	N553 P596 Y597 P682 E685 I686	N553-Y555 PolarHBondContact O-N 2.91Å; N553-Y555 VanDerWaalsContact O-N 3.17Å; N553-Y555 PolarHBondContact OD1-N 3.35Å; Y555-P596 PolarHBondContact OH-O 2.91Å; Y555-P596 VanDerWaalsContact OH-O 3.14Å; Y555-Y597 VanDerWaalsContact OH-C 3.29Å; Y555-Y597 WeakPolarHBondContact OH-CA 3.38Å; Y555-P682 HydrophobicContact CD1-CB 4.04Å; Y555-P682 HydrophobicContact CD1-CG 4.5Å; Y555-P682 HydrophobicContact CE1-CB 4.49Å; Y555-E685 HydrophobicContact CD1-CB 4.12Å; Y555-E685 HydrophobicContact CE1-CB 4.43Å; Y555-E685 HydrophobicContact CG-CB 4.16Å; Y555-I686 WeakPolarHBondContact O-CD1 3.44Å; Y555-I686 WeakPolarHBondContact O-CG1 3.36Å
556	H	90.6	Very high	94.4	Very high	6 Å²	6	20.7 Å²	20.7	3%	0.028	11%	0.114	C	C	.	.			trans	-102.8	104.1	-169.8	-167.4	-70.1	0	0	0	111.8	N553 K558 V559 D573 L689 D690	N553-H556 HydrophobicContact CB-CB 4.39Å; N553-H556 PolarHBondContact OD1-N 3.22Å; H556-K558 VanDerWaalsContact C-N 3.26Å; H556-K558 WeakPolarHBondContact CE1-CB 3.29Å; H556-K558 WeakPolarHBondContact CE1-CD 3.22Å; H556-K558 WeakPolarHBondContact CE1-CG 3.38Å; H556-K558 PolarHBondContact ND1-N 3.01Å; H556-K558 PolarHBondContact O-N 3.48Å; H556-K558 VanDerWaalsContact O-N 3.13Å; H556-V559 HydrophobicContact CB-CB 4.48Å; H556-V559 PolarHBondContact O-N 3Å; H556-V559 VanDerWaalsContact O-N 3.11Å; H556-D573 IonicContact CE1-OD2 3.76Å; H556-L689 HydrophobicContact CB-CD2 3.56Å; H556-D690 IonicContact CD2-OD1 3.93Å; H556-D690 IonicContact CD2-OD2 3.86Å; H556-D690 IonicContact CE1-OD1 2.62Å; H556-D690 IonicContact NE2-OD1 2.7Å; H556-D690 PolarHBondContact NE2-OD1 3.4Å; H556-D690 IonicContact NE2-OD2 3.82Å; H556-D690 PolarHBondContact NE2-OD2 2.87Å
557	T	90.2	Very high	94.4	Very high	42 Å²	42	25.9 Å²	25.9	26%	0.258	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-34.5	-171.7	47.9	0	0	0	0	115.1	H509 E511 W552 V559	H509-T557 PolarHBondContact CD2-O 3.46Å; H509-T557 PolarHBondContact NE2-O 3.1Å; H509-T557 VanDerWaalsContact NE2-O 3.16Å; E511-T557 HydrophobicContact CB-CG2 4.43Å; E511-T557 VanDerWaalsContact CD-CG2 3.44Å; E511-T557 HydrophobicContact CG-CG2 3.79Å; W552-T557 VanDerWaalsContact CE3-O 3.28Å; W552-T557 WeakPolarHBondContact CZ3-O 3.31Å; T557-V559 VanDerWaalsContact C-N 3.35Å
558	K	91.6	Very high	94.4	Very high	91 Å²	91	26.7 Å²	26.7	40%	0.396	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-15.5	-175.5	-48.6	-178.7	-175.6	167.2	0	113.5	H556 D573 H574	H556-K558 VanDerWaalsContact C-N 3.26Å; H556-K558 WeakPolarHBondContact CE1-CB 3.29Å; H556-K558 WeakPolarHBondContact CE1-CD 3.22Å; H556-K558 WeakPolarHBondContact CE1-CG 3.38Å; H556-K558 PolarHBondContact ND1-N 3.01Å; H556-K558 PolarHBondContact O-N 3.48Å; H556-K558 VanDerWaalsContact O-N 3.13Å; K558-D573 CarbonylContact O-C 3.59Å; K558-D573 WeakPolarHBondContact O-CA 3.34Å; K558-H574 WeakPolarHBondContact CA-ND1 3.09Å; K558-H574 PolarHBondContact O-N 2.95Å; K558-H574 PolarHBondContact O-ND1 2.74Å; K558-H574 VanDerWaalsContact O-ND1 3.17Å
559	V	94.8	Very high	94.6	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	133.1	-169.7	170.3	0	0	0	0	111.9	N553 H556 T557 I571 W572 W594 L689 L693	N553-V559 HydrophobicContact CB-CB 4.24Å; N553-V559 HydrophobicContact CB-CG1 4.23Å; N553-V559 WeakPolarHBondContact CB-O 3.23Å; N553-V559 PolarHBondContact N-O 3.04Å; H556-V559 HydrophobicContact CB-CB 4.48Å; H556-V559 PolarHBondContact O-N 3Å; H556-V559 VanDerWaalsContact O-N 3.11Å; T557-V559 VanDerWaalsContact C-N 3.35Å; V559-I571 HydrophobicContact CG1-CG2 3.83Å; V559-W572 VanDerWaalsContact CA-O 3.32Å; V559-W572 WeakPolarHBondContact CA-O 3.06Å; V559-W594 HydrophobicContact CG1-CH2 4.17Å; V559-W594 HydrophobicContact CG1-CZ2 3.94Å; V559-L689 HydrophobicContact CB-CD2 4.23Å; V559-L689 HydrophobicContact CG1-CD2 4.28Å; V559-L689 HydrophobicContact CG2-CD2 4.04Å; V559-L693 HydrophobicContact CG2-CD1 3.7Å; V559-L693 HydrophobicContact CG2-CD2 4.29Å
560	F	96.2	Very high	94.6	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	167.6	168.8	71.9	-89.5	0	0	0	111.1	L517 I525 Y540 V550 S551 W552 W572 H574	L517-F560 HydrophobicContact CD1-CB 3.75Å; L517-F560 HydrophobicContact CD1-CD1 3.44Å; L517-F560 VanDerWaalsContact CD1-CD1 3.44Å; L517-F560 HydrophobicContact CD1-CD2 3.51Å; L517-F560 HydrophobicContact CD1-CE1 3.78Å; L517-F560 HydrophobicContact CD1-CE2 3.86Å; L517-F560 HydrophobicContact CD1-CG 3.28Å; L517-F560 HydrophobicContact CD1-CZ 3.98Å; I525-F560 HydrophobicContact CD1-CE2 4Å; I525-F560 HydrophobicContact CG2-CE2 4.45Å; Y540-F560 HydrophobicContact CD2-CZ 4.08Å; Y540-F560 HydrophobicContact CE2-CE1 4.28Å; Y540-F560 HydrophobicContact CE2-CZ 4.07Å; V550-F560 HydrophobicContact CG1-CD2 4.19Å; S551-F560 CarbonylContact O-C 3.57Å; S551-F560 WeakPolarHBondContact O-CA 3.33Å; W552-F560 HydrophobicContact CD2-CB 4.08Å; W552-F560 HydrophobicContact CE3-CB 3.9Å; W552-F560 HydrophobicContact CG-CB 4.45Å; W552-F560 HydrophobicContact CH2-CD1 4.46Å; W552-F560 HydrophobicContact CZ3-CB 4.39Å; W552-F560 HydrophobicContact CZ3-CD1 4.22Å; F560-W572 HydrophobicContact CD1-CB 3.86Å; F560-W572 HydrophobicContact CD2-CB 4.12Å; F560-W572 AromaticContact CD2-CD1 3.81Å; F560-W572 HydrophobicContact CD2-CG 4.21Å; F560-W572 HydrophobicContact CE1-CB 3.45Å; F560-W572 VanDerWaalsContact CE1-CB 3.45Å; F560-W572 HydrophobicContact CE1-CG 4.14Å; F560-W572 HydrophobicContact CE2-CB 3.73Å; F560-W572 AromaticContact CE2-CD1 3.34Å; F560-W572 HydrophobicContact CE2-CD2 4.37Å; F560-W572 AromaticContact CE2-CG 3.56Å; F560-W572 HydrophobicContact CE2-CG 3.56Å; F560-W572 HydrophobicContact CG-CB 4.19Å; F560-W572 HydrophobicContact CZ-CB 3.38Å; F560-W572 AromaticContact CZ-CD1 3.83Å; F560-W572 HydrophobicContact CZ-CD2 4.19Å; F560-W572 AromaticContact CZ-CG 3.53Å; F560-W572 HydrophobicContact CZ-CG 3.53Å; F560-W572 PolarHBondContact N-O 3Å; F560-W572 VanDerWaalsContact N-O 3.14Å; F560-W572 PolarHBondContact O-N 2.58Å; F560-H574 HydrophobicContact CD1-CB 4.14Å; F560-H574 HydrophobicContact CE1-CB 4Å
561	M	96.4	Very high	94.5	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	147.1	178.9	179.7	169.4	54.5	0	0	109.6	V550 S551 V569 K570 I571 V592 W594 F602	V550-M561 WeakPolarHBondContact CA-O 3.42Å; S551-M561 PolarHBondContact N-O 3.15Å; S551-M561 PolarHBondContact O-N 3.27Å; M561-V569 HydrophobicContact CG-CG1 3.74Å; M561-V569 HydrophobicContact SD-CG1 3.7Å; M561-K570 WeakPolarHBondContact CA-O 3.31Å; M561-I571 HydrophobicContact CG-CG1 4.22Å; M561-I571 HydrophobicContact SD-CG1 4.31Å; M561-V592 HydrophobicContact CE-CB 4.28Å; M561-V592 HydrophobicContact CE-CG1 3.93Å; M561-V592 HydrophobicContact CE-CG2 3.47Å; M561-V592 VanDerWaalsContact CE-CG2 3.47Å; M561-V592 HydrophobicContact CG-CG1 4.04Å; M561-V592 HydrophobicContact SD-CG1 4.15Å; M561-V592 HydrophobicContact SD-CG2 3.61Å; M561-W594 HydrophobicContact CB-CZ2 3.74Å; M561-W594 HydrophobicContact CE-CD2 3.83Å; M561-W594 HydrophobicContact CE-CE3 4.44Å; M561-W594 HydrophobicContact CE-CG 4.03Å; M561-W594 HydrophobicContact CE-CZ2 4.22Å; M561-W594 HydrophobicContact SD-CZ2 4.39Å; M561-F602 HydrophobicContact CE-CB 3.9Å; M561-F602 HydrophobicContact CE-CD2 4.18Å; M561-F602 HydrophobicContact CE-CG 4.13Å; M561-F602 HydrophobicContact SD-CB 4.28Å; M561-F602 HydrophobicContact SD-CD1 4.3Å; M561-F602 HydrophobicContact SD-CD2 3.66Å; M561-F602 HydrophobicContact SD-CE2 3.97Å; M561-F602 HydrophobicContact SD-CG 3.84Å; M561-F602 HydrophobicContact SD-CZ 4.42Å
562	S	96.9	Very high	94.5	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	148.3	173.1	57.3	0	0	0	0	110.6	H543 T549 V569 K570 W572	H543-S562 PolarHBondContact NE2-OG 3.07Å; T549-S562 WeakPolarHBondContact O-CA 3.19Å; S562-V569 WeakPolarHBondContact O-CA 3.49Å; S562-K570 PolarHBondContact N-O 3.32Å; S562-K570 PolarHBondContact O-N 2.83Å; S562-W572 PolarHBondContact OG-NE1 3.02Å
563	C	96.6	Very high	94.3	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	162.2	165.7	75.5	0	0	0	0	110.7	D548 T549 V569 V589 V592	D548-C563 PolarHBondContact N-O 3.05Å; T549-C563 VanDerWaalsContact CG2-SG 3.56Å; T549-C563 PolarHBondContact O-N 2.88Å; C563-V569 HydrophobicContact CB-CG2 4.07Å; C563-V589 HydrophobicContact CB-CB 3.98Å; C563-V589 HydrophobicContact CB-CG1 3.76Å; C563-V592 HydrophobicContact CB-CB 4.25Å; C563-V592 HydrophobicContact CB-CG1 3.67Å
564	S	96.1	Very high	94.2	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	158	-177.1	176	0	0	0	0	111.7	H543 M545 S546 D566 W567 T568 V589	H543-S564 VanDerWaalsContact CG-CB 3.46Å; H543-S564 WeakPolarHBondContact ND1-CB 3.27Å; M545-S564 PolarHBondContact O-OG 2.96Å; S546-S564 VanDerWaalsContact O-CA 3.26Å; S546-S564 WeakPolarHBondContact O-CA 3.42Å; S546-S564 WeakPolarHBondContact O-CB 3.29Å; S546-S564 PolarHBondContact O-OG 3.27Å; S564-D566 WeakPolarHBondContact CB-OD1 3.38Å; S564-D566 PolarHBondContact O-N 2.79Å; S564-D566 VanDerWaalsContact O-N 3.16Å; S564-D566 PolarHBondContact OG-N 2.82Å; S564-W567 PolarHBondContact O-N 3.43Å; S564-T568 PolarHBondContact N-O 3.05Å; S564-V589 PolarHBondContact O-N 3.01Å
565	S	93.9	Very high	94.1	Very high	35 Å²	35	25.6 Å²	25.6	25%	0.245	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-6.8	163.6	-69.3	0	0	0	0	113.7	D548 W567	D548-S565 WeakPolarHBondContact OD2-CB 3.13Å; D548-S565 PolarHBondContact OD2-N 2.76Å; D548-S565 PolarHBondContact OD2-OG 2.99Å; S565-W567 PolarHBondContact O-N 2.63Å; S565-W567 VanDerWaalsContact O-N 3.17Å
566	D	94.3	Very high	94.1	Very high	23 Å²	23	25.3 Å²	25.3	12%	0.123	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	9.9	165.5	88.7	-10.9	0	0	0	114.7	H543 N544 M545 S564 T568 K570	H543-D566 VanDerWaalsContact CA-OD2 3.27Å; H543-D566 WeakPolarHBondContact CA-OD2 3.13Å; H543-D566 VanDerWaalsContact CB-OD2 3.29Å; H543-D566 WeakPolarHBondContact CB-OD2 3.13Å; H543-D566 IonicContact CE1-OD1 3.14Å; H543-D566 IonicContact CG-OD1 2.83Å; H543-D566 IonicContact CG-OD2 2.7Å; H543-D566 VanDerWaalsContact ND1-CG 3.28Å; H543-D566 IonicContact ND1-OD1 2.66Å; H543-D566 PolarHBondContact ND1-OD1 2.63Å; H543-D566 IonicContact ND1-OD2 3.61Å; H543-D566 PolarHBondContact ND1-OD2 3.15Å; H543-D566 VanDerWaalsContact ND1-OD2 3.1Å; N544-D566 HydrophobicContact CB-CB 4.25Å; N544-D566 PolarHBondContact N-OD2 3.35Å; M545-D566 HydrophobicContact CB-CB 4.06Å; M545-D566 HydrophobicContact CG-CB 4.09Å; S564-D566 WeakPolarHBondContact CB-OD1 3.38Å; S564-D566 PolarHBondContact O-N 2.79Å; S564-D566 VanDerWaalsContact O-N 3.16Å; S564-D566 PolarHBondContact OG-N 2.82Å; D566-T568 PolarHBondContact O-N 3Å; D566-T568 WeakPolarHBondContact OD1-CB 3.26Å; D566-T568 PolarHBondContact OD1-N 3.12Å; D566-T568 PolarHBondContact OD1-OG1 2.99Å; D566-T568 PolarHBondContact OD2-OG1 3.26Å; D566-K570 IonicContact OD1-NZ 2.67Å; D566-K570 IonicContact OD2-NZ 2.86Å; D566-K570 PolarHBondContact OD2-NZ 3.48Å
567	W	95.1	Very high	93.9	Very high	133 Å²	133	31 Å²	31	50%	0.504	15%	0.152	S	C	.	.	S	Bend	trans	71.1	-2.6	179.5	-46	-12	0	0	0	115.2	S564 S565 L585 S587	S564-W567 PolarHBondContact O-N 3.43Å; S565-W567 PolarHBondContact O-N 2.63Å; S565-W567 VanDerWaalsContact O-N 3.17Å; W567-L585 PolarHBondContact O-N 3.33Å; W567-S587 WeakPolarHBondContact CA-O 3.1Å; W567-S587 VanDerWaalsContact CD1-C 3.4Å
568	T	95.9	Very high	93.9	Very high	17 Å²	17	32.9 Å²	32.9	10%	0.104	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	144.4	-177	71.3	0	0	0	0	114	H543 S564 D566 K570 I582 Y583	H543-T568 PolarHBondContact CE1-O 2.8Å; H543-T568 PolarHBondContact CE1-OG1 3.29Å; H543-T568 VanDerWaalsContact CE1-OG1 3.27Å; H543-T568 PolarHBondContact ND1-OG1 2.92Å; H543-T568 VanDerWaalsContact ND1-OG1 3.15Å; S564-T568 PolarHBondContact N-O 3.05Å; D566-T568 PolarHBondContact O-N 3Å; D566-T568 WeakPolarHBondContact OD1-CB 3.26Å; D566-T568 PolarHBondContact OD1-N 3.12Å; D566-T568 PolarHBondContact OD1-OG1 2.99Å; D566-T568 PolarHBondContact OD2-OG1 3.26Å; T568-K570 WeakPolarHBondContact OG1-CE 3.41Å; T568-K570 PolarHBondContact OG1-NZ 3.41Å; T568-I582 HydrophobicContact CG2-CG2 4.19Å; T568-Y583 CarbonylContact C-O 3.28Å; T568-Y583 WeakPolarHBondContact CA-O 3.19Å
569	V	96.7	Very high	93.9	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	127.7	160.7	-178.9	0	0	0	0	107.7	M561 S562 C563 Y583 L585 V589 V592 F602 A604	M561-V569 HydrophobicContact CG-CG1 3.74Å; M561-V569 HydrophobicContact SD-CG1 3.7Å; S562-V569 WeakPolarHBondContact O-CA 3.49Å; C563-V569 HydrophobicContact CB-CG2 4.07Å; V569-Y583 PolarHBondContact N-O 3.12Å; V569-Y583 PolarHBondContact O-N 2.97Å; V569-L585 HydrophobicContact CG2-CD1 3.91Å; V569-V589 HydrophobicContact CG2-CG1 3.97Å; V569-V589 HydrophobicContact CG2-CG2 4.22Å; V569-V592 HydrophobicContact CG1-CG1 4.45Å; V569-V592 HydrophobicContact CG1-CG2 4.22Å; V569-F602 HydrophobicContact CG1-CE2 4.06Å; V569-A604 HydrophobicContact CG2-CB 4.01Å
570	K	95.7	Very high	93.7	Very high	19 Å²	19	30.3 Å²	30.3	8%	0.083	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	134.2	-176.3	-65.7	178.6	-177.2	119.3	0	110.3	A542 H543 M561 S562 D566 T568 W572 P579 F581 I582	A542-K570 WeakPolarHBondContact O-CD 3.41Å; A542-K570 VanDerWaalsContact O-CE 3.28Å; A542-K570 WeakPolarHBondContact O-CE 3.33Å; A542-K570 PolarHBondContact O-NZ 3.25Å; H543-K570 PolarHBondContact ND1-NZ 2.92Å; M561-K570 WeakPolarHBondContact CA-O 3.31Å; S562-K570 PolarHBondContact N-O 3.32Å; S562-K570 PolarHBondContact O-N 2.83Å; D566-K570 IonicContact OD1-NZ 2.67Å; D566-K570 IonicContact OD2-NZ 2.86Å; D566-K570 PolarHBondContact OD2-NZ 3.48Å; T568-K570 WeakPolarHBondContact OG1-CE 3.41Å; T568-K570 PolarHBondContact OG1-NZ 3.41Å; K570-W572 HydrophobicContact CB-CZ2 3.93Å; K570-W572 HydrophobicContact CD-CZ2 3.82Å; K570-W572 PolarHBondContact O-NE1 3.17Å; K570-P579 HydrophobicContact CB-CB 4.38Å; K570-F581 WeakPolarHBondContact CA-O 3.4Å; K570-I582 HydrophobicContact CG-CB 4.49Å; K570-I582 HydrophobicContact CG-CG1 4.25Å; K570-I582 HydrophobicContact CG-CG2 4.15Å
571	I	95.5	Very high	93.5	Very high	2 Å²	2	30.9 Å²	30.9	1%	0.01	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	132.8	177.9	-55.3	-179.8	0	0	0	108.3	V559 M561 M580 F581 Y583 W594 F602 L616	V559-I571 HydrophobicContact CG1-CG2 3.83Å; M561-I571 HydrophobicContact CG-CG1 4.22Å; M561-I571 HydrophobicContact SD-CG1 4.31Å; I571-M580 WeakPolarHBondContact O-CB 3.33Å; I571-M580 PolarHBondContact O-N 3.29Å; I571-F581 HydrophobicContact CB-CB 4.21Å; I571-F581 HydrophobicContact CB-CD2 4.33Å; I571-F581 HydrophobicContact CD1-CB 4.46Å; I571-F581 HydrophobicContact CG1-CB 4.46Å; I571-F581 PolarHBondContact N-O 3.33Å; I571-F581 PolarHBondContact O-N 3.14Å; I571-Y583 HydrophobicContact CD1-CE2 3.91Å; I571-Y583 HydrophobicContact CG1-CE2 4.38Å; I571-W594 HydrophobicContact CD1-CH2 4.19Å; I571-W594 HydrophobicContact CG2-CH2 4.3Å; I571-F602 HydrophobicContact CD1-CD1 4.43Å; I571-F602 HydrophobicContact CD1-CE1 3.84Å; I571-F602 HydrophobicContact CD1-CZ 4.34Å; I571-L616 HydrophobicContact CD1-CD1 3.94Å; I571-L616 HydrophobicContact CD1-CD2 3.95Å
572	W	94.8	Very high	93.4	Very high	3 Å²	3	35.7 Å²	35.7	1%	0.011	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	152.4	-168.4	-55.8	88	0	0	0	110.8	A542 V559 F560 S562 K570 P579	A542-W572 HydrophobicContact CB-CH2 4.02Å; A542-W572 HydrophobicContact CB-CZ2 3.56Å; V559-W572 VanDerWaalsContact CA-O 3.32Å; V559-W572 WeakPolarHBondContact CA-O 3.06Å; F560-W572 HydrophobicContact CD1-CB 3.86Å; F560-W572 HydrophobicContact CD2-CB 4.12Å; F560-W572 AromaticContact CD2-CD1 3.81Å; F560-W572 HydrophobicContact CD2-CG 4.21Å; F560-W572 HydrophobicContact CE1-CB 3.45Å; F560-W572 VanDerWaalsContact CE1-CB 3.45Å; F560-W572 HydrophobicContact CE1-CG 4.14Å; F560-W572 HydrophobicContact CE2-CB 3.73Å; F560-W572 AromaticContact CE2-CD1 3.34Å; F560-W572 HydrophobicContact CE2-CD2 4.37Å; F560-W572 AromaticContact CE2-CG 3.56Å; F560-W572 HydrophobicContact CE2-CG 3.56Å; F560-W572 HydrophobicContact CG-CB 4.19Å; F560-W572 HydrophobicContact CZ-CB 3.38Å; F560-W572 AromaticContact CZ-CD1 3.83Å; F560-W572 HydrophobicContact CZ-CD2 4.19Å; F560-W572 AromaticContact CZ-CG 3.53Å; F560-W572 HydrophobicContact CZ-CG 3.53Å; F560-W572 PolarHBondContact N-O 3Å; F560-W572 VanDerWaalsContact N-O 3.14Å; F560-W572 PolarHBondContact O-N 2.58Å; S562-W572 PolarHBondContact OG-NE1 3.02Å; K570-W572 HydrophobicContact CB-CZ2 3.93Å; K570-W572 HydrophobicContact CD-CZ2 3.82Å; K570-W572 PolarHBondContact O-NE1 3.17Å; W572-P579 HydrophobicContact CD2-CB 4.15Å; W572-P579 HydrophobicContact CE3-CB 4.05Å; W572-P579 HydrophobicContact CH2-CB 3.93Å; W572-P579 HydrophobicContact CH2-CG 4.06Å; W572-P579 HydrophobicContact CZ2-CB 4.03Å; W572-P579 HydrophobicContact CZ2-CG 4.49Å; W572-P579 HydrophobicContact CZ3-CB 3.96Å; W572-P579 VanDerWaalsContact CZ3-CD 3.49Å; W572-P579 HydrophobicContact CZ3-CG 4.24Å
573	D	93.1	Very high	93.3	Very high	1 Å²	1	36 Å²	36	1%	0.005	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	127	154.3	-175.5	-43.6	0	0	0	107	H556 K558 T575 I576 R697	H556-D573 IonicContact CE1-OD2 3.76Å; K558-D573 CarbonylContact O-C 3.59Å; K558-D573 WeakPolarHBondContact O-CA 3.34Å; D573-T575 VanDerWaalsContact CG-OG1 3.23Å; D573-T575 PolarHBondContact O-N 3.33Å; D573-T575 WeakPolarHBondContact OD1-CB 3.34Å; D573-T575 PolarHBondContact OD1-N 3.04Å; D573-T575 PolarHBondContact OD1-OG1 3.2Å; D573-I576 HydrophobicContact CB-CD1 4.38Å; D573-I576 HydrophobicContact CB-CG1 4.4Å; D573-I576 PolarHBondContact O-N 2.8Å; D573-R697 IonicContact OD2-CZ 3.23Å; D573-R697 IonicContact OD2-NH2 2.87Å; D573-R697 PolarHBondContact OD2-NH2 3.29Å
574	H	91.6	Very high	93.2	Very high	19 Å²	19	40.5 Å²	40.5	9%	0.088	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	1.9	-179.7	79.9	-36.8	0	0	0	115.4	K527 Y540 W552 K558 F560	K527-H574 PolarHBondContact NZ-O 2.79Å; Y540-H574 WeakPolarHBondContact OH-CA 3.24Å; Y540-H574 PolarHBondContact OH-O 2.91Å; W552-H574 HydrophobicContact CH2-CB 3.66Å; W552-H574 AromaticContact CH2-CD2 3.75Å; W552-H574 AromaticContact CH2-CG 3.76Å; W552-H574 HydrophobicContact CZ3-CB 3.95Å; W552-H574 AromaticContact CZ3-CG 3.96Å; K558-H574 WeakPolarHBondContact CA-ND1 3.09Å; K558-H574 PolarHBondContact O-N 2.95Å; K558-H574 PolarHBondContact O-ND1 2.74Å; K558-H574 VanDerWaalsContact O-ND1 3.17Å; F560-H574 HydrophobicContact CD1-CB 4.14Å; F560-H574 HydrophobicContact CE1-CB 4Å
575	T	90.3	Very high	93	Very high	92 Å²	92	41.1 Å²	41.1	56%	0.564	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.1	-6.4	169.2	56.5	0	0	0	0	113.6	D573	D573-T575 VanDerWaalsContact CG-OG1 3.23Å; D573-T575 PolarHBondContact O-N 3.33Å; D573-T575 WeakPolarHBondContact OD1-CB 3.34Å; D573-T575 PolarHBondContact OD1-N 3.04Å; D573-T575 PolarHBondContact OD1-OG1 3.2Å
576	I	89.8	Confident	92.9	Very high	49 Å²	49	45.6 Å²	45.6	25%	0.251	23%	0.232	S	C	.	.			trans	-128.3	125.2	-172.1	-54.6	-179.4	0	0	0	109.7	D573 T578 M580	D573-I576 HydrophobicContact CB-CD1 4.38Å; D573-I576 HydrophobicContact CB-CG1 4.4Å; D573-I576 PolarHBondContact O-N 2.8Å; I576-T578 PolarHBondContact O-N 2.97Å; I576-M580 HydrophobicContact CD1-SD 4.14Å
577	K	87.5	Confident	92.9	Very high	126 Å²	126	45.3 Å²	45.3	55%	0.548	23%	0.232	S	C	.	.	S	Bend	trans	-73.4	-4	-179	-79	179.9	170.5	-79.2	0	115.7	D538 T539 Y540	D538-K577 WeakPolarHBondContact OD1-CE 3.32Å; D538-K577 IonicContact OD1-NZ 2.7Å; D538-K577 PolarHBondContact OD1-NZ 3.43Å; T539-K577 PolarHBondContact O-NZ 2.89Å; Y540-K577 HydrophobicContact CD1-CG 4.46Å; Y540-K577 HydrophobicContact CE1-CG 4.45Å
578	T	89.7	Confident	92.9	Very high	80 Å²	80	39.9 Å²	39.9	49%	0.491	22%	0.215	S	C	.	.	S	Bend	trans	-116.1	146.4	178.1	61.7	0	0	0	0	110.7	I576	I576-T578 PolarHBondContact O-N 2.97Å
579	P	91.7	Very high	92.9	Very high	26 Å²	26	39.1 Å²	39.1	17%	0.169	21%	0.21	C	C	.	.			trans	-67.9	141.5	-178.4	27.5	-33.8	0	0	0	110.9	K570 W572 I582 K700	K570-P579 HydrophobicContact CB-CB 4.38Å; W572-P579 HydrophobicContact CD2-CB 4.15Å; W572-P579 HydrophobicContact CE3-CB 4.05Å; W572-P579 HydrophobicContact CH2-CB 3.93Å; W572-P579 HydrophobicContact CH2-CG 4.06Å; W572-P579 HydrophobicContact CZ2-CB 4.03Å; W572-P579 HydrophobicContact CZ2-CG 4.49Å; W572-P579 HydrophobicContact CZ3-CB 3.96Å; W572-P579 VanDerWaalsContact CZ3-CD 3.49Å; W572-P579 HydrophobicContact CZ3-CG 4.24Å; P579-I582 HydrophobicContact CB-CG1 4.01Å; P579-I582 HydrophobicContact CG-CD1 3.72Å; P579-I582 HydrophobicContact CG-CG1 3.73Å; P579-K700 PolarHBondContact O-NZ 2.93Å
580	M	89.8	Confident	92.7	Very high	12 Å²	12	40.1 Å²	40.1	6%	0.059	22%	0.221	C	C	.	.	S	Bend	trans	-75.3	-44.1	175.3	-67.4	-73.9	-76.6	0	0	110.3	I571 I576 L693 R697	I571-M580 WeakPolarHBondContact O-CB 3.33Å; I571-M580 PolarHBondContact O-N 3.29Å; I576-M580 HydrophobicContact CD1-SD 4.14Å; M580-L693 HydrophobicContact CE-CB 3.64Å; M580-L693 HydrophobicContact CE-CD2 3.55Å; M580-L693 HydrophobicContact CE-CG 4.15Å; M580-L693 WeakPolarHBondContact CE-O 3.08Å; M580-R697 HydrophobicContact CE-CG 4Å; M580-R697 HydrophobicContact SD-CG 4.35Å
581	F	92.1	Very high	92.7	Very high	12 Å²	12	40 Å²	40	5%	0.053	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	149.6	173.3	-62.4	-90.9	0	0	0	110.8	K570 I571 Y583 K620 L692 V696	K570-F581 WeakPolarHBondContact CA-O 3.4Å; I571-F581 HydrophobicContact CB-CB 4.21Å; I571-F581 HydrophobicContact CB-CD2 4.33Å; I571-F581 HydrophobicContact CD1-CB 4.46Å; I571-F581 HydrophobicContact CG1-CB 4.46Å; I571-F581 PolarHBondContact N-O 3.33Å; I571-F581 PolarHBondContact O-N 3.14Å; F581-Y583 HydrophobicContact CB-CD2 4.46Å; F581-Y583 HydrophobicContact CB-CE2 3.59Å; F581-Y583 WeakPolarHBondContact CD1-OH 3.27Å; F581-Y583 HydrophobicContact CG-CE2 4.32Å; F581-Y583 WeakPolarHBondContact CG-OH 3.18Å; F581-K620 HydrophobicContact CE1-CB 4.41Å; F581-L692 HydrophobicContact CE2-CD2 3.58Å; F581-L692 HydrophobicContact CZ-CD2 3.48Å; F581-L692 VanDerWaalsContact CZ-CD2 3.48Å; F581-L692 HydrophobicContact CZ-CG 4.17Å; F581-V696 HydrophobicContact CE1-CG2 3.87Å; F581-V696 HydrophobicContact CE2-CG2 4.34Å; F581-V696 HydrophobicContact CZ-CG2 3.54Å
582	I	93.9	Very high	92.8	Very high	101 Å²	101	40 Å²	40	52%	0.518	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	127.7	171.6	-52.2	176.7	0	0	0	106.6	T568 K570 P579	T568-I582 HydrophobicContact CG2-CG2 4.19Å; K570-I582 HydrophobicContact CG-CB 4.49Å; K570-I582 HydrophobicContact CG-CG1 4.25Å; K570-I582 HydrophobicContact CG-CG2 4.15Å; P579-I582 HydrophobicContact CB-CG1 4.01Å; P579-I582 HydrophobicContact CG-CD1 3.72Å; P579-I582 HydrophobicContact CG-CG1 3.73Å
583	Y	95	Very high	92.8	Very high	7 Å²	7	40.5 Å²	40.5	3%	0.027	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	124.5	173.6	-59.9	-78	0	0	0	108.6	T568 V569 I571 F581 F602 F614 L616 K620 Y621	T568-Y583 CarbonylContact C-O 3.28Å; T568-Y583 WeakPolarHBondContact CA-O 3.19Å; V569-Y583 PolarHBondContact N-O 3.12Å; V569-Y583 PolarHBondContact O-N 2.97Å; I571-Y583 HydrophobicContact CD1-CE2 3.91Å; I571-Y583 HydrophobicContact CG1-CE2 4.38Å; F581-Y583 HydrophobicContact CB-CD2 4.46Å; F581-Y583 HydrophobicContact CB-CE2 3.59Å; F581-Y583 WeakPolarHBondContact CD1-OH 3.27Å; F581-Y583 HydrophobicContact CG-CE2 4.32Å; F581-Y583 WeakPolarHBondContact CG-OH 3.18Å; Y583-F602 AromaticContact CD2-CZ 3.96Å; Y583-F602 HydrophobicContact CD2-CZ 3.96Å; Y583-F602 HydrophobicContact CE2-CE1 4.31Å; Y583-F602 AromaticContact CE2-CZ 3.95Å; Y583-F602 HydrophobicContact CE2-CZ 3.95Å; Y583-F614 HydrophobicContact CD1-CD1 4.09Å; Y583-F614 AromaticContact CD1-CE1 3.52Å; Y583-F614 HydrophobicContact CD1-CE1 3.52Å; Y583-F614 HydrophobicContact CD1-CZ 4.2Å; Y583-F614 HydrophobicContact CE1-CD1 4.11Å; Y583-F614 AromaticContact CE1-CE1 4Å; Y583-F614 HydrophobicContact CE1-CE1 4Å; Y583-F614 HydrophobicContact CG-CE1 4Å; Y583-F614 HydrophobicContact CG-CZ 4.26Å; Y583-L616 HydrophobicContact CE2-CD2 4.26Å; Y583-L616 WeakPolarHBondContact OH-CD2 3.38Å; Y583-K620 VanDerWaalsContact CE1-O 3.23Å; Y583-K620 WeakPolarHBondContact CE1-O 3.19Å; Y583-K620 PolarHBondContact OH-O 3.01Å; Y583-Y621 WeakPolarHBondContact CD1-O 3.31Å
584	D	94.5	Very high	93	Very high	93 Å²	93	41.1 Å²	41.1	50%	0.497	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	123.7	171.1	-173.5	-15.4	0	0	0	109.1	N586	D584-N586 WeakPolarHBondContact OD1-CA 3.28Å; D584-N586 PolarHBondContact OD1-N 3.13Å
585	L	92.7	Very high	93.1	Very high	13 Å²	13	40.2 Å²	40.2	7%	0.068	22%	0.224	C	C	.	.			trans	-100	3	-179.6	-69.1	178.4	0	0	0	113.5	W567 V569 S587 V589 A604 T606 H612 F614	W567-L585 PolarHBondContact O-N 3.33Å; V569-L585 HydrophobicContact CG2-CD1 3.91Å; L585-S587 PolarHBondContact O-N 3.19Å; L585-S587 VanDerWaalsContact O-N 3.11Å; L585-V589 HydrophobicContact CB-CG2 4.3Å; L585-V589 HydrophobicContact CD1-CG1 4.2Å; L585-V589 HydrophobicContact CD1-CG2 3.83Å; L585-A604 HydrophobicContact CD1-CB 3.72Å; L585-T606 HydrophobicContact CB-CG2 3.8Å; L585-T606 HydrophobicContact CD1-CG2 3.88Å; L585-T606 HydrophobicContact CG-CG2 4.4Å; L585-H612 HydrophobicContact CD2-CB 4.12Å; L585-F614 HydrophobicContact CD2-CE2 4.29Å; L585-F614 HydrophobicContact CD2-CZ 3.88Å
586	N	92.3	Very high	93.1	Very high	130 Å²	130	37.4 Å²	37.4	70%	0.695	21%	0.207	S	C	*	.	S	Bend	trans	58.2	17.8	180	-59	-110.7	0	0	0	113.7	D584	D584-N586 WeakPolarHBondContact OD1-CA 3.28Å; D584-N586 PolarHBondContact OD1-N 3.13Å
587	S	94.3	Very high	92.9	Very high	17 Å²	17	37.6 Å²	37.6	12%	0.119	21%	0.205	C	C	.	.	S	Bend	trans	-163.1	148.2	-177	-171.4	0	0	0	0	109.6	W567 L585 V589 T607 D608	W567-S587 WeakPolarHBondContact CA-O 3.1Å; W567-S587 VanDerWaalsContact CD1-C 3.4Å; L585-S587 PolarHBondContact O-N 3.19Å; L585-S587 VanDerWaalsContact O-N 3.11Å; S587-V589 PolarHBondContact O-N 2.85Å; S587-T607 PolarHBondContact OG-OG1 3.41Å; S587-D608 PolarHBondContact OG-N 3.45Å
588	A	94.4	Very high	93	Very high	19 Å²	19	32.1 Å²	32.1	16%	0.157	18%	0.183	C	C	.	.			trans	-59.1	132.9	178.3	0	0	0	0	0	111	T607	A588-T607 HydrophobicContact CB-CG2 4.17Å; A588-T607 WeakPolarHBondContact O-CG2 3.43Å; A588-T607 PolarHBondContact O-N 2.7Å; A588-T607 PolarHBondContact O-OG1 3Å
589	V	95.5	Very high	93	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	111.6	-172.1	-166.6	0	0	0	0	108.8	C563 S564 V569 L585 S587 A604 V605	C563-V589 HydrophobicContact CB-CB 3.98Å; C563-V589 HydrophobicContact CB-CG1 3.76Å; S564-V589 PolarHBondContact O-N 3.01Å; V569-V589 HydrophobicContact CG2-CG1 3.97Å; V569-V589 HydrophobicContact CG2-CG2 4.22Å; L585-V589 HydrophobicContact CB-CG2 4.3Å; L585-V589 HydrophobicContact CD1-CG1 4.2Å; L585-V589 HydrophobicContact CD1-CG2 3.83Å; S587-V589 PolarHBondContact O-N 2.85Å; V589-A604 HydrophobicContact CG1-CB 4.24Å; V589-V605 CarbonylContact C-O 3.56Å; V589-V605 WeakPolarHBondContact CA-O 3.02Å; V589-V605 WeakPolarHBondContact CG1-O 3.43Å
590	G	92.1	Very high	93	Very high	22 Å²	22	27.1 Å²	27.1	23%	0.227	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	-37.8	-175.1	0	0	0	0	0	113.4	V605 T637	G590-V605 PolarHBondContact N-O 2.55Å; G590-T637 CarbonylContact C-O 3.6Å; G590-T637 VanDerWaalsContact C-O 3.28Å
591	D	95.9	Very high	93.1	Very high	17 Å²	17	26.7 Å²	26.7	9%	0.091	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162	159.2	-178	-164.4	9	0	0	0	111	T549 V605 T637 H638 V639	T549-D591 PolarHBondContact OG1-OD1 3.09Å; D591-V605 PolarHBondContact O-N 2.91Å; D591-T637 VanDerWaalsContact CB-O 3.31Å; D591-T637 WeakPolarHBondContact CB-O 3.25Å; D591-H638 WeakPolarHBondContact OD2-CA 3.33Å; D591-H638 IonicContact OD2-CE1 2.91Å; D591-H638 IonicContact OD2-CG 3.11Å; D591-H638 IonicContact OD2-ND1 3.87Å; D591-H638 PolarHBondContact OD2-ND1 3.05Å; D591-V639 HydrophobicContact CB-CG1 4.21Å; D591-V639 PolarHBondContact OD2-N 2.81Å; D591-V639 VanDerWaalsContact OD2-N 3.16Å
592	V	96.8	Very high	93.3	Very high	2 Å²	2	26.1 Å²	26.1	1%	0.012	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	132.5	175.8	67.9	0	0	0	0	111.3	T549 M561 C563 V569 F602 A603 A604	T549-V592 HydrophobicContact CG2-CB 4.44Å; T549-V592 HydrophobicContact CG2-CG1 3.49Å; T549-V592 VanDerWaalsContact CG2-CG1 3.49Å; M561-V592 HydrophobicContact CE-CB 4.28Å; M561-V592 HydrophobicContact CE-CG1 3.93Å; M561-V592 HydrophobicContact CE-CG2 3.47Å; M561-V592 VanDerWaalsContact CE-CG2 3.47Å; M561-V592 HydrophobicContact CG-CG1 4.04Å; M561-V592 HydrophobicContact SD-CG1 4.15Å; M561-V592 HydrophobicContact SD-CG2 3.61Å; C563-V592 HydrophobicContact CB-CB 4.25Å; C563-V592 HydrophobicContact CB-CG1 3.67Å; V569-V592 HydrophobicContact CG1-CG1 4.45Å; V569-V592 HydrophobicContact CG1-CG2 4.22Å; V592-F602 HydrophobicContact CG2-CD2 3.63Å; V592-F602 HydrophobicContact CG2-CE2 4.18Å; V592-A603 WeakPolarHBondContact CA-O 3.2Å; V592-A603 VanDerWaalsContact CG2-O 3.27Å; V592-A603 WeakPolarHBondContact CG2-O 3.49Å; V592-A604 HydrophobicContact CB-CB 4.25Å; V592-A604 HydrophobicContact CG2-CB 3.78Å
593	A	96.8	Very high	93.4	Very high	13 Å²	13	21.4 Å²	21.4	11%	0.107	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	139.8	-177.1	0	0	0	0	0	112.1	F602 A603 V639 F641	A593-F602 VanDerWaalsContact O-CA 3.31Å; A593-F602 WeakPolarHBondContact O-CA 3.46Å; A593-F602 WeakPolarHBondContact O-CB 3.15Å; A593-A603 PolarHBondContact N-O 2.77Å; A593-A603 PolarHBondContact O-N 2.56Å; A593-V639 HydrophobicContact CB-CG1 4.14Å; A593-F641 HydrophobicContact CB-CD2 3.94Å; A593-F641 HydrophobicContact CB-CE2 4.23Å; A593-F641 VanDerWaalsContact O-CE2 3.31Å; A593-F641 WeakPolarHBondContact O-CE2 3.46Å
594	W	95.7	Very high	93.5	Very high	13 Å²	13	21 Å²	21	5%	0.049	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	149.1	167.7	-68.7	108.2	0	0	0	111.5	S551 N553 P554 V559 M561 I571 S599 F602 F641	S551-W594 PolarHBondContact O-NE1 2.73Å; S551-W594 VanDerWaalsContact O-NE1 3.07Å; N553-W594 HydrophobicContact CB-CD2 4.45Å; N553-W594 HydrophobicContact CB-CZ2 4.16Å; N553-W594 VanDerWaalsContact ND2-CE3 3.27Å; N553-W594 WeakPolarHBondContact ND2-CH2 3.38Å; N553-W594 VanDerWaalsContact ND2-CZ3 3.26Å; N553-W594 WeakPolarHBondContact ND2-CZ3 3.44Å; P554-W594 VanDerWaalsContact CD-CB 3.44Å; P554-W594 HydrophobicContact CG-CB 3.8Å; V559-W594 HydrophobicContact CG1-CH2 4.17Å; V559-W594 HydrophobicContact CG1-CZ2 3.94Å; M561-W594 HydrophobicContact CB-CZ2 3.74Å; M561-W594 HydrophobicContact CE-CD2 3.83Å; M561-W594 HydrophobicContact CE-CE3 4.44Å; M561-W594 HydrophobicContact CE-CG 4.03Å; M561-W594 HydrophobicContact CE-CZ2 4.22Å; M561-W594 HydrophobicContact SD-CZ2 4.39Å; I571-W594 HydrophobicContact CD1-CH2 4.19Å; I571-W594 HydrophobicContact CG2-CH2 4.3Å; W594-S599 WeakPolarHBondContact CZ3-O 3.14Å; W594-F602 HydrophobicContact CE3-CB 4Å; W594-F602 HydrophobicContact CZ3-CB 4.44Å; W594-F602 HydrophobicContact CZ3-CD1 4.31Å; W594-F641 WeakPolarHBondContact O-CD2 3.48Å
595	A	93.4	Very high	93.6	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	10%	0.098	C	C	.	.			trans	-73.2	132.4	170	0	0	0	0	0	111.2	Y597 S598 V601 F641	A595-Y597 HydrophobicContact CB-CD2 4.45Å; A595-Y597 HydrophobicContact CB-CE1 4.33Å; A595-Y597 HydrophobicContact CB-CE2 4Å; A595-Y597 PolarHBondContact O-N 3.11Å; A595-S598 VanDerWaalsContact O-O 3.1Å; A595-V601 HydrophobicContact CB-CB 3.75Å; A595-V601 HydrophobicContact CB-CG1 3.94Å; A595-V601 WeakPolarHBondContact CB-O 3.19Å; A595-V601 PolarHBondContact N-O 2.98Å; A595-F641 HydrophobicContact CB-CD1 4.14Å; A595-F641 HydrophobicContact CB-CE1 3.9Å; A595-F641 HydrophobicContact CB-CZ 4.14Å
596	P	90.5	Very high	93.7	Very high	33 Å²	33	16 Å²	16	21%	0.214	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-0.3	-178.2	29.8	-34	0	0	0	113.9	Y555 F641 N642 L643	Y555-P596 PolarHBondContact OH-O 2.91Å; Y555-P596 VanDerWaalsContact OH-O 3.14Å; P596-F641 HydrophobicContact CG-CB 4.02Å; P596-N642 VanDerWaalsContact CG-O 3.24Å; P596-N642 WeakPolarHBondContact CG-O 3.4Å; P596-L643 HydrophobicContact CB-CD2 4.18Å
597	Y	87.2	Confident	93.7	Very high	54 Å²	54	12 Å²	12	21%	0.212	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.5	1.4	-177.4	53.9	-102.5	0	0	0	114.2	Y555 A595 F641 L662	Y555-Y597 VanDerWaalsContact OH-C 3.29Å; Y555-Y597 WeakPolarHBondContact OH-CA 3.38Å; A595-Y597 HydrophobicContact CB-CD2 4.45Å; A595-Y597 HydrophobicContact CB-CE1 4.33Å; A595-Y597 HydrophobicContact CB-CE2 4Å; A595-Y597 PolarHBondContact O-N 3.11Å; Y597-F641 HydrophobicContact CE1-CD1 4.15Å; Y597-F641 WeakPolarHBondContact OH-CE1 3.41Å; Y597-L662 WeakPolarHBondContact OH-CD1 3.31Å
598	S	89	Confident	93.6	Very high	11 Å²	11	14.5 Å²	14.5	8%	0.077	9%	0.087	C	C	.	.			trans	-155.7	142.6	170	-176.3	0	0	0	0	111.6	A595 T600 E685 K688	A595-S598 VanDerWaalsContact O-O 3.1Å; S598-T600 VanDerWaalsContact C-N 3.34Å; S598-T600 PolarHBondContact O-N 3.45Å; S598-E685 WeakPolarHBondContact CA-OE2 3.33Å; S598-E685 VanDerWaalsContact CB-OE2 3.3Å; S598-E685 WeakPolarHBondContact CB-OE2 3.4Å; S598-E685 PolarHBondContact OG-OE2 3.23Å; S598-K688 PolarHBondContact OG-NZ 3.33Å
599	S	89.5	Confident	93.5	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-19.1	-177	61.2	0	0	0	0	114.7	N553 W594 E685	N553-S599 PolarHBondContact ND2-O 3.28Å; W594-S599 WeakPolarHBondContact CZ3-O 3.14Å; S599-E685 WeakPolarHBondContact CB-O 3.04Å; S599-E685 PolarHBondContact N-OE2 3.26Å; S599-E685 PolarHBondContact OG-O 2.86Å; S599-E685 PolarHBondContact OG-OE2 3.3Å
600	T	91.1	Very high	93.4	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.9	-6.7	-172.5	58.6	0	0	0	0	114.2	S598 D615 L616 A617 K688 L689	S598-T600 VanDerWaalsContact C-N 3.34Å; S598-T600 PolarHBondContact O-N 3.45Å; T600-D615 WeakPolarHBondContact CB-OD1 3.48Å; T600-D615 WeakPolarHBondContact O-CA 3.12Å; T600-D615 PolarHBondContact OG1-OD1 2.92Å; T600-L616 HydrophobicContact CG2-CB 4.5Å; T600-L616 WeakPolarHBondContact O-CG 3.32Å; T600-L616 PolarHBondContact O-N 2.83Å; T600-A617 HydrophobicContact CG2-CB 4.25Å; T600-K688 HydrophobicContact CG2-CD 3.85Å; T600-K688 HydrophobicContact CG2-CG 3.97Å; T600-K688 WeakPolarHBondContact OG1-CE 3.32Å; T600-K688 PolarHBondContact OG1-NZ 3.33Å; T600-L689 HydrophobicContact CG2-CD1 3.87Å
601	V	93	Very high	93.5	Very high	4 Å²	4	15.4 Å²	15.4	2%	0.024	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	132.1	-176.8	-177.1	0	0	0	0	110.5	A595 I613 F614 D615	A595-V601 HydrophobicContact CB-CB 3.75Å; A595-V601 HydrophobicContact CB-CG1 3.94Å; A595-V601 WeakPolarHBondContact CB-O 3.19Å; A595-V601 PolarHBondContact N-O 2.98Å; V601-I613 HydrophobicContact CG1-CG2 4.46Å; V601-F614 VanDerWaalsContact CA-O 3.29Å; V601-F614 WeakPolarHBondContact CA-O 3.28Å; V601-D615 HydrophobicContact CG2-CB 3.92Å
602	F	95.6	Very high	93.5	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	158.9	171.8	71	-89	0	0	0	112	M561 V569 I571 Y583 V592 A593 W594 I613 F614 L616	M561-F602 HydrophobicContact CE-CB 3.9Å; M561-F602 HydrophobicContact CE-CD2 4.18Å; M561-F602 HydrophobicContact CE-CG 4.13Å; M561-F602 HydrophobicContact SD-CB 4.28Å; M561-F602 HydrophobicContact SD-CD1 4.3Å; M561-F602 HydrophobicContact SD-CD2 3.66Å; M561-F602 HydrophobicContact SD-CE2 3.97Å; M561-F602 HydrophobicContact SD-CG 3.84Å; M561-F602 HydrophobicContact SD-CZ 4.42Å; V569-F602 HydrophobicContact CG1-CE2 4.06Å; I571-F602 HydrophobicContact CD1-CD1 4.43Å; I571-F602 HydrophobicContact CD1-CE1 3.84Å; I571-F602 HydrophobicContact CD1-CZ 4.34Å; Y583-F602 AromaticContact CD2-CZ 3.96Å; Y583-F602 HydrophobicContact CD2-CZ 3.96Å; Y583-F602 HydrophobicContact CE2-CE1 4.31Å; Y583-F602 AromaticContact CE2-CZ 3.95Å; Y583-F602 HydrophobicContact CE2-CZ 3.95Å; V592-F602 HydrophobicContact CG2-CD2 3.63Å; V592-F602 HydrophobicContact CG2-CE2 4.18Å; A593-F602 VanDerWaalsContact O-CA 3.31Å; A593-F602 WeakPolarHBondContact O-CA 3.46Å; A593-F602 WeakPolarHBondContact O-CB 3.15Å; W594-F602 HydrophobicContact CE3-CB 4Å; W594-F602 HydrophobicContact CZ3-CB 4.44Å; W594-F602 HydrophobicContact CZ3-CD1 4.31Å; F602-I613 WeakPolarHBondContact O-CA 3.37Å; F602-F614 HydrophobicContact CD1-CB 3.89Å; F602-F614 HydrophobicContact CD2-CB 4.5Å; F602-F614 AromaticContact CD2-CD2 3.97Å; F602-F614 HydrophobicContact CD2-CD2 3.97Å; F602-F614 HydrophobicContact CE1-CB 3.45Å; F602-F614 VanDerWaalsContact CE1-CB 3.45Å; F602-F614 HydrophobicContact CE1-CD2 4.18Å; F602-F614 AromaticContact CE1-CG 3.88Å; F602-F614 HydrophobicContact CE1-CG 3.88Å; F602-F614 HydrophobicContact CE2-CB 4.14Å; F602-F614 AromaticContact CE2-CD2 3.29Å; F602-F614 HydrophobicContact CE2-CD2 3.29Å; F602-F614 AromaticContact CE2-CE2 3.78Å; F602-F614 HydrophobicContact CE2-CE2 3.78Å; F602-F614 AromaticContact CE2-CG 3.85Å; F602-F614 HydrophobicContact CE2-CG 3.85Å; F602-F614 HydrophobicContact CG-CB 4.39Å; F602-F614 HydrophobicContact CZ-CB 3.6Å; F602-F614 HydrophobicContact CZ-CD1 4.1Å; F602-F614 AromaticContact CZ-CD2 3.42Å; F602-F614 HydrophobicContact CZ-CD2 3.42Å; F602-F614 VanDerWaalsContact CZ-CD2 3.42Å; F602-F614 HydrophobicContact CZ-CE2 4.03Å; F602-F614 AromaticContact CZ-CG 3.45Å; F602-F614 HydrophobicContact CZ-CG 3.45Å; F602-F614 VanDerWaalsContact CZ-CG 3.45Å; F602-F614 PolarHBondContact N-O 2.92Å; F602-F614 PolarHBondContact O-N 2.89Å; F602-L616 HydrophobicContact CE1-CD2 4.03Å; F602-L616 HydrophobicContact CE1-CG 4.34Å
603	A	96.5	Very high	93.4	Very high	1 Å²	1	15 Å²	15	1%	0.008	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	129.3	173.5	0	0	0	0	0	110.1	V592 A593 H612 I613 V639 F641	V592-A603 WeakPolarHBondContact CA-O 3.2Å; V592-A603 VanDerWaalsContact CG2-O 3.27Å; V592-A603 WeakPolarHBondContact CG2-O 3.49Å; A593-A603 PolarHBondContact N-O 2.77Å; A593-A603 PolarHBondContact O-N 2.56Å; A603-H612 CarbonylContact C-O 3.59Å; A603-H612 VanDerWaalsContact CA-O 3.28Å; A603-H612 WeakPolarHBondContact CA-O 3.47Å; A603-I613 HydrophobicContact CB-CG1 3.96Å; A603-V639 HydrophobicContact CB-CG2 4.12Å; A603-F641 HydrophobicContact CB-CE2 3.53Å; A603-F641 HydrophobicContact CB-CZ 3.61Å
604	A	96.6	Very high	93.3	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	147.3	173.5	0	0	0	0	0	109.7	V569 L585 V589 V592 H612 F614	V569-A604 HydrophobicContact CG2-CB 4.01Å; L585-A604 HydrophobicContact CD1-CB 3.72Å; V589-A604 HydrophobicContact CG1-CB 4.24Å; V592-A604 HydrophobicContact CB-CB 4.25Å; V592-A604 HydrophobicContact CG2-CB 3.78Å; A604-H612 HydrophobicContact CB-CB 4.48Å; A604-H612 PolarHBondContact N-O 3.5Å; A604-H612 PolarHBondContact O-N 2.93Å; A604-H612 VanDerWaalsContact O-O 3.14Å; A604-F614 HydrophobicContact CB-CE2 4.46Å
605	V	96	Very high	93.1	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	130.3	-174.8	158.7	0	0	0	0	111.1	V589 G590 D591 A611 L636 V639 V650	V589-V605 CarbonylContact C-O 3.56Å; V589-V605 WeakPolarHBondContact CA-O 3.02Å; V589-V605 WeakPolarHBondContact CG1-O 3.43Å; G590-V605 PolarHBondContact N-O 2.55Å; D591-V605 PolarHBondContact O-N 2.91Å; V605-A611 HydrophobicContact CG2-CB 4.18Å; V605-L636 HydrophobicContact CG1-CB 3.23Å; V605-L636 HydrophobicContact CG1-CD1 4Å; V605-L636 HydrophobicContact CG1-CG 4.24Å; V605-V639 HydrophobicContact CB-CB 4.24Å; V605-V639 HydrophobicContact CB-CG1 4.29Å; V605-V639 HydrophobicContact CG2-CB 3.7Å; V605-V639 HydrophobicContact CG2-CG1 4.1Å; V605-V639 HydrophobicContact CG2-CG2 4.05Å; V605-V650 HydrophobicContact CG1-CG1 4.09Å; V605-V650 HydrophobicContact CG2-CG1 3.97Å
606	T	95.3	Very high	92.9	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	147.9	-169.7	47.3	0	0	0	0	112.7	L585 D608 G609 K610	L585-T606 HydrophobicContact CB-CG2 3.8Å; L585-T606 HydrophobicContact CD1-CG2 3.88Å; L585-T606 HydrophobicContact CG-CG2 4.4Å; T606-D608 VanDerWaalsContact CB-OD1 3.28Å; T606-D608 WeakPolarHBondContact CB-OD1 3.43Å; T606-D608 PolarHBondContact O-N 2.61Å; T606-D608 VanDerWaalsContact O-N 3.16Å; T606-D608 PolarHBondContact OG1-OD1 2.89Å; T606-G609 PolarHBondContact O-N 3.07Å; T606-G609 VanDerWaalsContact O-N 3.11Å; T606-K610 PolarHBondContact N-O 3.01Å; T606-K610 PolarHBondContact OG1-O 3.43Å
607	T	92.7	Very high	92.7	Very high	47 Å²	47	15.2 Å²	15.2	29%	0.288	9%	0.085	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-18.7	178.9	49.7	0	0	0	0	113.9	S587 A588 G609 R635	S587-T607 PolarHBondContact OG-OG1 3.41Å; A588-T607 HydrophobicContact CB-CG2 4.17Å; A588-T607 WeakPolarHBondContact O-CG2 3.43Å; A588-T607 PolarHBondContact O-N 2.7Å; A588-T607 PolarHBondContact O-OG1 3Å; T607-G609 PolarHBondContact O-N 3Å; T607-R635 WeakPolarHBondContact O-CA 3.39Å; T607-R635 WeakPolarHBondContact O-CB 3.37Å; T607-R635 VanDerWaalsContact O-CG 3.29Å; T607-R635 WeakPolarHBondContact O-CG 3.26Å
608	D	91.5	Very high	92.7	Very high	68 Å²	68	15 Å²	15	36%	0.364	9%	0.087	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-3.9	174.4	81	-28.6	0	0	0	115.1	S587 T606 K610	S587-D608 PolarHBondContact OG-N 3.45Å; T606-D608 VanDerWaalsContact CB-OD1 3.28Å; T606-D608 WeakPolarHBondContact CB-OD1 3.43Å; T606-D608 PolarHBondContact O-N 2.61Å; T606-D608 VanDerWaalsContact O-N 3.16Å; T606-D608 PolarHBondContact OG1-OD1 2.89Å; D608-K610 PolarHBondContact OD1-N 2.97Å; D608-K610 WeakPolarHBondContact OD2-CE 3.35Å; D608-K610 IonicContact OD2-NZ 3.6Å; D608-K610 PolarHBondContact OD2-NZ 2.87Å
609	G	92.1	Very high	92.5	Very high	2 Å²	2	16.3 Å²	16.3	2%	0.021	9%	0.094	C	C	.	.	S	Bend	trans	100.3	10.1	175	0	0	0	0	0	115.5	T606 T607 V629 A630 L636	T606-G609 PolarHBondContact O-N 3.07Å; T606-G609 VanDerWaalsContact O-N 3.11Å; T607-G609 PolarHBondContact O-N 3Å; G609-V629 PolarHBondContact O-N 3.17Å; G609-A630 PolarHBondContact O-N 2.81Å; G609-A630 VanDerWaalsContact O-N 3.08Å; G609-L636 VanDerWaalsContact C-CD1 3.45Å; G609-L636 WeakPolarHBondContact O-CD1 3.43Å
610	K	94.1	Very high	92.3	Very high	59 Å²	59	19.3 Å²	19.3	26%	0.257	11%	0.106	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	154.4	176.9	-53.3	-161.7	-150.4	84.5	0	113.9	T606 D608 N626 Q627 L636	T606-K610 PolarHBondContact N-O 3.01Å; T606-K610 PolarHBondContact OG1-O 3.43Å; D608-K610 PolarHBondContact OD1-N 2.97Å; D608-K610 WeakPolarHBondContact OD2-CE 3.35Å; D608-K610 IonicContact OD2-NZ 3.6Å; D608-K610 PolarHBondContact OD2-NZ 2.87Å; K610-N626 WeakPolarHBondContact CD-OD1 3.49Å; K610-Q627 WeakPolarHBondContact CA-O 3.41Å; K610-L636 WeakPolarHBondContact O-CD1 3.14Å
611	A	95.3	Very high	92.1	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	130.3	163.5	0	0	0	0	0	109.5	L323 V605 Q627 V629	L323-A611 HydrophobicContact CD1-CB 3.9Å; V605-A611 HydrophobicContact CG2-CB 4.18Å; A611-Q627 PolarHBondContact N-O 3.47Å; A611-Q627 PolarHBondContact O-N 3.02Å; A611-Q627 VanDerWaalsContact O-N 3.1Å; A611-V629 HydrophobicContact CB-CG2 3.75Å
612	H	95.3	Very high	91.9	Very high	7 Å²	7	33.7 Å²	33.7	3%	0.032	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	132.4	179.8	-68.7	-97.6	0	0	0	109.6	L585 A603 A604 F614 A623 C625 N626	L585-H612 HydrophobicContact CD2-CB 4.12Å; A603-H612 CarbonylContact C-O 3.59Å; A603-H612 VanDerWaalsContact CA-O 3.28Å; A603-H612 WeakPolarHBondContact CA-O 3.47Å; A604-H612 HydrophobicContact CB-CB 4.48Å; A604-H612 PolarHBondContact N-O 3.5Å; A604-H612 PolarHBondContact O-N 2.93Å; A604-H612 VanDerWaalsContact O-O 3.14Å; H612-F614 HydrophobicContact CB-CE2 3.9Å; H612-A623 HydrophobicContact CB-CB 4.27Å; H612-C625 CarbonylContact C-O 3.58Å; H612-C625 WeakPolarHBondContact CA-O 3.19Å; H612-N626 VanDerWaalsContact CE1-CG 3.41Å; H612-N626 PolarHBondContact CE1-OD1 3.21Å; H612-N626 VanDerWaalsContact CE1-OD1 3.25Å
613	I	95.3	Very high	91.6	Very high	2 Å²	2	35 Å²	35	1%	0.01	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	133	-179.3	-59	177.1	0	0	0	109.6	L323 V601 F602 A603 A623 I624 C625 I648 L662 L666	L323-I613 HydrophobicContact CD1-CD1 3.8Å; L323-I613 HydrophobicContact CD2-CD1 3.67Å; L323-I613 HydrophobicContact CG-CD1 3.98Å; V601-I613 HydrophobicContact CG1-CG2 4.46Å; F602-I613 WeakPolarHBondContact O-CA 3.37Å; A603-I613 HydrophobicContact CB-CG1 3.96Å; I613-A623 CarbonylContact O-C 3.55Å; I613-I624 PolarHBondContact O-N 3.03Å; I613-C625 HydrophobicContact CB-CB 4.19Å; I613-C625 PolarHBondContact N-O 2.83Å; I613-C625 PolarHBondContact O-N 3.06Å; I613-I648 HydrophobicContact CD1-CD1 4.2Å; I613-L662 HydrophobicContact CD1-CD2 3.41Å; I613-L662 VanDerWaalsContact CD1-CD2 3.41Å; I613-L666 HydrophobicContact CD1-CD1 3.9Å; I613-L666 HydrophobicContact CG2-CD1 4.46Å; I613-L666 HydrophobicContact CG2-CD2 4.15Å
614	F	94	Very high	91.4	Very high	4 Å²	4	35.5 Å²	35.5	2%	0.018	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	140.4	-175.8	-62.1	-99.7	0	0	0	109.4	Y583 L585 V601 F602 A604 H612 A623	Y583-F614 HydrophobicContact CD1-CD1 4.09Å; Y583-F614 AromaticContact CD1-CE1 3.52Å; Y583-F614 HydrophobicContact CD1-CE1 3.52Å; Y583-F614 HydrophobicContact CD1-CZ 4.2Å; Y583-F614 HydrophobicContact CE1-CD1 4.11Å; Y583-F614 AromaticContact CE1-CE1 4Å; Y583-F614 HydrophobicContact CE1-CE1 4Å; Y583-F614 HydrophobicContact CG-CE1 4Å; Y583-F614 HydrophobicContact CG-CZ 4.26Å; L585-F614 HydrophobicContact CD2-CE2 4.29Å; L585-F614 HydrophobicContact CD2-CZ 3.88Å; V601-F614 VanDerWaalsContact CA-O 3.29Å; V601-F614 WeakPolarHBondContact CA-O 3.28Å; F602-F614 HydrophobicContact CD1-CB 3.89Å; F602-F614 HydrophobicContact CD2-CB 4.5Å; F602-F614 AromaticContact CD2-CD2 3.97Å; F602-F614 HydrophobicContact CD2-CD2 3.97Å; F602-F614 HydrophobicContact CE1-CB 3.45Å; F602-F614 VanDerWaalsContact CE1-CB 3.45Å; F602-F614 HydrophobicContact CE1-CD2 4.18Å; F602-F614 AromaticContact CE1-CG 3.88Å; F602-F614 HydrophobicContact CE1-CG 3.88Å; F602-F614 HydrophobicContact CE2-CB 4.14Å; F602-F614 AromaticContact CE2-CD2 3.29Å; F602-F614 HydrophobicContact CE2-CD2 3.29Å; F602-F614 AromaticContact CE2-CE2 3.78Å; F602-F614 HydrophobicContact CE2-CE2 3.78Å; F602-F614 AromaticContact CE2-CG 3.85Å; F602-F614 HydrophobicContact CE2-CG 3.85Å; F602-F614 HydrophobicContact CG-CB 4.39Å; F602-F614 HydrophobicContact CZ-CB 3.6Å; F602-F614 HydrophobicContact CZ-CD1 4.1Å; F602-F614 AromaticContact CZ-CD2 3.42Å; F602-F614 HydrophobicContact CZ-CD2 3.42Å; F602-F614 VanDerWaalsContact CZ-CD2 3.42Å; F602-F614 HydrophobicContact CZ-CE2 4.03Å; F602-F614 AromaticContact CZ-CG 3.45Å; F602-F614 HydrophobicContact CZ-CG 3.45Å; F602-F614 VanDerWaalsContact CZ-CG 3.45Å; F602-F614 PolarHBondContact N-O 2.92Å; F602-F614 PolarHBondContact O-N 2.89Å; A604-F614 HydrophobicContact CB-CE2 4.46Å; H612-F614 HydrophobicContact CB-CE2 3.9Å; F614-A623 HydrophobicContact CD1-CB 4.21Å; F614-A623 HydrophobicContact CD2-CB 4.45Å; F614-A623 HydrophobicContact CE1-CB 3.83Å; F614-A623 HydrophobicContact CE2-CB 4.09Å; F614-A623 HydrophobicContact CZ-CB 3.78Å
615	D	91.6	Very high	91.2	Very high	6 Å²	6	35.7 Å²	35.7	3%	0.032	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	107.6	156.6	-176.4	-6.7	0	0	0	107.6	T600 V601 A617 I618 N619 I624	T600-D615 WeakPolarHBondContact CB-OD1 3.48Å; T600-D615 WeakPolarHBondContact O-CA 3.12Å; T600-D615 PolarHBondContact OG1-OD1 2.92Å; V601-D615 HydrophobicContact CG2-CB 3.92Å; D615-A617 PolarHBondContact O-N 2.89Å; D615-A617 WeakPolarHBondContact OD1-CB 3.4Å; D615-A617 PolarHBondContact OD1-N 2.7Å; D615-I618 HydrophobicContact CB-CB 4.3Å; D615-I618 HydrophobicContact CB-CD1 4.15Å; D615-I618 HydrophobicContact CB-CG1 4.22Å; D615-I618 PolarHBondContact O-N 2.91Å; D615-N619 PolarHBondContact O-N 2.78Å; D615-N619 VanDerWaalsContact O-O 3.07Å; D615-I624 HydrophobicContact CB-CD1 3.63Å; D615-I624 VanDerWaalsContact N-CD1 3.31Å
616	L	88.9	Confident	91	Very high	1 Å²	1	40 Å²	40	1%	0.005	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.8	-32	-179.1	-59.2	169.8	0	0	0	112.3	I571 Y583 T600 F602 I618 L689 L692	I571-L616 HydrophobicContact CD1-CD1 3.94Å; I571-L616 HydrophobicContact CD1-CD2 3.95Å; Y583-L616 HydrophobicContact CE2-CD2 4.26Å; Y583-L616 WeakPolarHBondContact OH-CD2 3.38Å; T600-L616 HydrophobicContact CG2-CB 4.5Å; T600-L616 WeakPolarHBondContact O-CG 3.32Å; T600-L616 PolarHBondContact O-N 2.83Å; F602-L616 HydrophobicContact CE1-CD2 4.03Å; F602-L616 HydrophobicContact CE1-CG 4.34Å; L616-I618 VanDerWaalsContact C-N 3.28Å; L616-I618 PolarHBondContact O-N 3.14Å; L616-L689 HydrophobicContact CD1-CD1 3.99Å; L616-L692 VanDerWaalsContact C-CD1 3.45Å; L616-L692 HydrophobicContact CB-CD1 3.75Å; L616-L692 HydrophobicContact CB-CD2 4.13Å; L616-L692 HydrophobicContact CD1-CD2 4.36Å; L616-L692 WeakPolarHBondContact O-CD1 3.39Å
617	A	87	Confident	90.9	Very high	54 Å²	54	42.5 Å²	42.5	45%	0.446	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-17.2	-178.8	0	0	0	0	0	113.8	T600 D615	T600-A617 HydrophobicContact CG2-CB 4.25Å; D615-A617 PolarHBondContact O-N 2.89Å; D615-A617 WeakPolarHBondContact OD1-CB 3.4Å; D615-A617 PolarHBondContact OD1-N 2.7Å
618	I	85.5	Confident	91	Very high	48 Å²	48	44.6 Å²	44.6	25%	0.246	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.2	-62	-178.9	-60.8	178	0	0	0	109.4	Q319 D615 L616 I624 K668	Q319-I618 HydrophobicContact CB-CG2 3.83Å; Q319-I618 HydrophobicContact CG-CG2 3.97Å; D615-I618 HydrophobicContact CB-CB 4.3Å; D615-I618 HydrophobicContact CB-CD1 4.15Å; D615-I618 HydrophobicContact CB-CG1 4.22Å; D615-I618 PolarHBondContact O-N 2.91Å; L616-I618 VanDerWaalsContact C-N 3.28Å; L616-I618 PolarHBondContact O-N 3.14Å; I618-I624 HydrophobicContact CB-CD1 3.71Å; I618-I624 HydrophobicContact CD1-CD1 4.44Å; I618-I624 HydrophobicContact CG2-CD1 3.85Å; I618-K668 HydrophobicContact CD1-CB 4.36Å
619	N	85.9	Confident	90.9	Very high	40 Å²	40	42.5 Å²	42.5	21%	0.214	22%	0.221	C	C	.	.			trans	-121	125.6	173.7	-168.1	-26.4	0	0	0	109.7	D615 Y621 E622 I624	D615-N619 PolarHBondContact O-N 2.78Å; D615-N619 VanDerWaalsContact O-O 3.07Å; N619-Y621 PolarHBondContact OD1-N 2.78Å; N619-E622 PolarHBondContact OD1-N 2.98Å; N619-I624 HydrophobicContact CB-CD1 4.31Å; N619-I624 HydrophobicContact CB-CG1 3.99Å
620	K	85.8	Confident	90.5	Very high	62 Å²	62	43.1 Å²	43.1	27%	0.27	23%	0.226	S	C	.	.	S	Bend	trans	-87.7	-16.7	-175.3	-65.6	175.1	-175.4	170.4	0	113.9	F581 Y583	F581-K620 HydrophobicContact CE1-CB 4.41Å; Y583-K620 VanDerWaalsContact CE1-O 3.23Å; Y583-K620 WeakPolarHBondContact CE1-O 3.19Å; Y583-K620 PolarHBondContact OH-O 3.01Å
621	Y	85.3	Confident	89.8	Confident	172 Å²	172	43.6 Å²	43.6	68%	0.675	24%	0.241	S	C	*	.	S	Bend	trans	-127.7	-31.5	-165.2	-57.8	-65.8	0	0	0	113.4	Y583 N619	Y583-Y621 WeakPolarHBondContact CD1-O 3.31Å; N619-Y621 PolarHBondContact OD1-N 2.78Å
622	E	89	Confident	88.7	Confident	134 Å²	134	53.7 Å²	53.7	63%	0.626	29%	0.285	S	S	*	.	S	Bend	trans	-120.5	157.2	-177.4	-52	174.4	140.2	0	0	112.1	N619	N619-E622 PolarHBondContact OD1-N 2.98Å
623	A	90.9	Very high	88	Confident	29 Å²	29	62.1 Å²	62.1	24%	0.24	32%	0.321	C	S	.	.			trans	-71.9	134.2	176	0	0	0	0	0	111.3	H612 I613 F614	H612-A623 HydrophobicContact CB-CB 4.27Å; I613-A623 CarbonylContact O-C 3.55Å; F614-A623 HydrophobicContact CD1-CB 4.21Å; F614-A623 HydrophobicContact CD2-CB 4.45Å; F614-A623 HydrophobicContact CE1-CB 3.83Å; F614-A623 HydrophobicContact CE2-CB 4.09Å; F614-A623 HydrophobicContact CZ-CB 3.78Å
624	I	91.1	Very high	87.7	Confident	11 Å²	11	63.5 Å²	63.5	6%	0.056	33%	0.329	C	S	.	.	S	Bend	trans	-79.7	-29.9	-179.7	-58	-176.9	0	0	0	111.6	Q319 V320 G321 I613 D615 I618 N619 L666	Q319-I624 WeakPolarHBondContact O-CG2 3.18Å; V320-I624 WeakPolarHBondContact CA-O 3.49Å; V320-I624 WeakPolarHBondContact CG1-O 3.39Å; G321-I624 PolarHBondContact N-O 3.1Å; G321-I624 VanDerWaalsContact N-O 3.13Å; I613-I624 PolarHBondContact O-N 3.03Å; D615-I624 HydrophobicContact CB-CD1 3.63Å; D615-I624 VanDerWaalsContact N-CD1 3.31Å; I618-I624 HydrophobicContact CB-CD1 3.71Å; I618-I624 HydrophobicContact CD1-CD1 4.44Å; I618-I624 HydrophobicContact CG2-CD1 3.85Å; N619-I624 HydrophobicContact CB-CD1 4.31Å; N619-I624 HydrophobicContact CB-CG1 3.99Å; I624-L666 HydrophobicContact CB-CD2 4.14Å; I624-L666 HydrophobicContact CG2-CD2 3.71Å
625	C	91.6	Very high	87.6	Confident	4 Å²	4	69.9 Å²	69.9	3%	0.027	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	135.8	162.9	177.2	0	0	0	0	108.7	G321 H612 I613 L666	G321-C625 WeakPolarHBondContact O-CB 3.42Å; H612-C625 CarbonylContact C-O 3.58Å; H612-C625 WeakPolarHBondContact CA-O 3.19Å; I613-C625 HydrophobicContact CB-CB 4.19Å; I613-C625 PolarHBondContact N-O 2.83Å; I613-C625 PolarHBondContact O-N 3.06Å; C625-L666 HydrophobicContact CB-CD1 3.87Å; C625-L666 HydrophobicContact CB-CD2 3.82Å; C625-L666 HydrophobicContact CB-CG 4.47Å
626	N	93.2	Very high	87.7	Confident	91 Å²	91	69.8 Å²	69.8	49%	0.487	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	93.9	176.5	175	-3.3	0	0	0	106.5	K610 H612	K610-N626 WeakPolarHBondContact CD-OD1 3.49Å; H612-N626 VanDerWaalsContact CE1-CG 3.41Å; H612-N626 PolarHBondContact CE1-OD1 3.21Å; H612-N626 VanDerWaalsContact CE1-OD1 3.25Å
627	Q	93.3	Very high	87.9	Confident	51 Å²	51	70.4 Å²	70.4	24%	0.238	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	130.9	-168.1	-171.4	174.4	-38.5	0	0	111.2	L323 K610 A611 V629	L323-Q627 PolarHBondContact O-NE2 3.32Å; L323-Q627 PolarHBondContact O-OE1 2.97Å; K610-Q627 WeakPolarHBondContact CA-O 3.41Å; A611-Q627 PolarHBondContact N-O 3.47Å; A611-Q627 PolarHBondContact O-N 3.02Å; A611-Q627 VanDerWaalsContact O-N 3.1Å; Q627-V629 PolarHBondContact O-N 2.89Å
628	P	93.3	Very high	88.3	Confident	92 Å²	92	69.5 Å²	69.5	60%	0.597	34%	0.343	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.6	120.9	169.8	28.5	-33	0	0	0	109.7
629	V	89.9	Confident	88.9	Confident	23 Å²	23	67.4 Å²	67.4	14%	0.139	33%	0.332	C	S	.	.			trans	-104.5	-38.4	-178.8	165.6	0	0	0	0	110.5	L323 G609 A611 Q627 L636 I658 L660	L323-V629 HydrophobicContact CD1-CG2 4.49Å; G609-V629 PolarHBondContact O-N 3.17Å; A611-V629 HydrophobicContact CB-CG2 3.75Å; Q627-V629 PolarHBondContact O-N 2.89Å; V629-L636 HydrophobicContact CB-CD1 4.15Å; V629-L636 HydrophobicContact CG1-CD1 4.47Å; V629-I658 HydrophobicContact CG1-CB 4.47Å; V629-I658 HydrophobicContact CG1-CD1 4.1Å; V629-L660 HydrophobicContact CB-CD1 4.34Å; V629-L660 HydrophobicContact CG1-CD1 3.86Å; V629-L660 HydrophobicContact CG1-CD2 4.29Å; V629-L660 HydrophobicContact CG2-CD1 3.48Å; V629-L660 VanDerWaalsContact CG2-CD1 3.48Å; V629-L660 HydrophobicContact CG2-CD2 4.49Å
630	A	85.1	Confident	89.4	Confident	16 Å²	16	67.9 Å²	67.9	13%	0.132	33%	0.333	C	S	.	.	S	Bend	trans	-90	161.3	176	0	0	0	0	0	112.4	G609 N634 L636	G609-A630 PolarHBondContact O-N 2.81Å; G609-A630 VanDerWaalsContact O-N 3.08Å; A630-N634 HydrophobicContact CB-CB 4.23Å; A630-L636 HydrophobicContact CB-CD1 4.48Å; A630-L636 HydrophobicContact CB-CD2 3.81Å; A630-L636 HydrophobicContact CB-CG 4Å
631	A	79.3	Confident	89.9	Confident	69 Å²	69	65.3 Å²	65.3	57%	0.57	32%	0.322	S	S	*	.			trans	-67	146	161.1	0	0	0	0	0	109.8	K633 N634	A631-K633 PolarHBondContact O-N 2.88Å; A631-N634 PolarHBondContact O-N 2.97Å
632	K	71.4	Confident	90.3	Very high	212 Å²	212	57.2 Å²	57.2	92%	0.922	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	8.6	-174.7	-60.9	-173	176.2	-174.2	0	117.5
633	K	80.8	Confident	90.4	Very high	184 Å²	184	55.1 Å²	55.1	80%	0.8	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.2	-2.7	177.6	-68.6	-171.8	176.3	-176.7	0	113.8	A631	A631-K633 PolarHBondContact O-N 2.88Å
634	N	88.6	Confident	90.3	Very high	31 Å²	31	58.1 Å²	58.1	17%	0.166	29%	0.294	C	S	.	.			trans	-109.3	132	176.7	-61.5	15.3	0	0	0	107.6	A630 A631 D652 D653 R654	A630-N634 HydrophobicContact CB-CB 4.23Å; A631-N634 PolarHBondContact O-N 2.97Å; N634-D652 HydrophobicContact CB-CB 4.45Å; N634-D652 PolarHBondContact ND2-OD2 3.34Å; N634-D653 WeakPolarHBondContact CA-OD1 3.38Å; N634-R654 HydrophobicContact CB-CG 4.25Å; N634-R654 WeakPolarHBondContact ND2-CG 3.36Å
635	R	91.6	Very high	90.3	Very high	138 Å²	138	60 Å²	60	52%	0.521	30%	0.302	S	S	.	.			trans	-93.2	134	177.4	-57.4	173.4	-70.9	162.7	5.7	107.6	T607 D652 D653	T607-R635 WeakPolarHBondContact O-CA 3.39Å; T607-R635 WeakPolarHBondContact O-CB 3.37Å; T607-R635 VanDerWaalsContact O-CG 3.29Å; T607-R635 WeakPolarHBondContact O-CG 3.26Å; R635-D652 CarbonylContact O-C 3.53Å; R635-D652 WeakPolarHBondContact O-CA 3.43Å; R635-D653 HydrophobicContact CB-CB 4.34Å; R635-D653 IonicContact CZ-OD2 3.92Å; R635-D653 VanDerWaalsContact CZ-OD2 3.23Å; R635-D653 PolarHBondContact N-OD1 3.41Å; R635-D653 IonicContact NE-OD2 2.88Å; R635-D653 PolarHBondContact NE-OD2 3.05Å; R635-D653 IonicContact NH2-OD2 3.73Å; R635-D653 PolarHBondContact NH2-OD2 2.98Å; R635-D653 PolarHBondContact O-N 2.72Å
636	L	93.9	Very high	90.3	Very high	4 Å²	4	61.5 Å²	61.5	2%	0.021	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	144.7	173.4	-62.3	171.2	0	0	0	109.3	V605 G609 K610 V629 A630 V650 G651 D652	V605-L636 HydrophobicContact CG1-CB 3.23Å; V605-L636 HydrophobicContact CG1-CD1 4Å; V605-L636 HydrophobicContact CG1-CG 4.24Å; G609-L636 VanDerWaalsContact C-CD1 3.45Å; G609-L636 WeakPolarHBondContact O-CD1 3.43Å; K610-L636 WeakPolarHBondContact O-CD1 3.14Å; V629-L636 HydrophobicContact CB-CD1 4.15Å; V629-L636 HydrophobicContact CG1-CD1 4.47Å; A630-L636 HydrophobicContact CB-CD1 4.48Å; A630-L636 HydrophobicContact CB-CD2 3.81Å; A630-L636 HydrophobicContact CB-CG 4Å; L636-V650 HydrophobicContact CB-CG1 4.3Å; L636-V650 HydrophobicContact CD1-CG1 4.1Å; L636-V650 HydrophobicContact CD2-CG1 3.87Å; L636-V650 HydrophobicContact CG-CG1 4.3Å; L636-G651 WeakPolarHBondContact CA-O 3.23Å; L636-D652 HydrophobicContact CD2-CB 4.05Å
637	T	93.8	Very high	90.4	Very high	14 Å²	14	57.2 Å²	57.2	9%	0.086	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	-58.2	-174.6	55.8	0	0	0	0	112	V339 Y359 G590 D591 G651 D653	V339-T637 WeakPolarHBondContact O-CB 3.12Å; V339-T637 PolarHBondContact O-OG1 3.04Å; Y359-T637 HydrophobicContact CE2-CG2 4.04Å; G590-T637 CarbonylContact C-O 3.6Å; G590-T637 VanDerWaalsContact C-O 3.28Å; D591-T637 VanDerWaalsContact CB-O 3.31Å; D591-T637 WeakPolarHBondContact CB-O 3.25Å; T637-G651 PolarHBondContact N-O 2.83Å; T637-G651 PolarHBondContact OG1-O 2.93Å; T637-D653 HydrophobicContact CG2-CB 4.32Å
638	H	95.6	Very high	90.5	Very high	35 Å²	35	54.8 Å²	54.8	16%	0.162	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	151.8	-172	-76	-68.5	0	0	0	113.9	T340 L342 Y359 D591 V650 G651	T340-H638 VanDerWaalsContact C-CD2 3.47Å; T340-H638 PolarHBondContact O-NE2 3.06Å; T340-H638 VanDerWaalsContact O-NE2 3.09Å; L342-H638 HydrophobicContact CD1-CB 3.86Å; L342-H638 HydrophobicContact CG-CB 4.02Å; Y359-H638 PolarHBondContact OH-NE2 3.42Å; D591-H638 WeakPolarHBondContact OD2-CA 3.33Å; D591-H638 IonicContact OD2-CE1 2.91Å; D591-H638 IonicContact OD2-CG 3.11Å; D591-H638 IonicContact OD2-ND1 3.87Å; D591-H638 PolarHBondContact OD2-ND1 3.05Å; H638-V650 WeakPolarHBondContact O-CA 3.49Å; H638-V650 WeakPolarHBondContact O-CG1 3.4Å; H638-G651 PolarHBondContact O-N 3.46Å
639	V	96.8	Very high	90.7	Very high	4 Å²	4	50.4 Å²	50.4	2%	0.024	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	134.8	176.5	61.2	0	0	0	0	111.5	D591 A593 A603 V605 I648 I649 V650	D591-V639 HydrophobicContact CB-CG1 4.21Å; D591-V639 PolarHBondContact OD2-N 2.81Å; D591-V639 VanDerWaalsContact OD2-N 3.16Å; A593-V639 HydrophobicContact CB-CG1 4.14Å; A603-V639 HydrophobicContact CB-CG2 4.12Å; V605-V639 HydrophobicContact CB-CB 4.24Å; V605-V639 HydrophobicContact CB-CG1 4.29Å; V605-V639 HydrophobicContact CG2-CB 3.7Å; V605-V639 HydrophobicContact CG2-CG1 4.1Å; V605-V639 HydrophobicContact CG2-CG2 4.05Å; V639-I648 HydrophobicContact CG2-CB 4.49Å; V639-I648 HydrophobicContact CG2-CD1 4.45Å; V639-I649 WeakPolarHBondContact CA-O 3.28Å; V639-V650 HydrophobicContact CG2-CG2 4.4Å
640	Q	96.7	Very high	91	Very high	49 Å²	49	49.3 Å²	49.3	23%	0.229	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	127.4	173.6	-148.8	-174.6	28	0	0	113.6	L342 W344 I648 I649	L342-Q640 HydrophobicContact CB-CB 4.39Å; L342-Q640 PolarHBondContact O-OE1 3.16Å; W344-Q640 PolarHBondContact NE1-O 2.92Å; Q640-I648 WeakPolarHBondContact O-CA 2.95Å; Q640-I649 HydrophobicContact CB-CD1 4.44Å; Q640-I649 HydrophobicContact CB-CG1 4.06Å; Q640-I649 PolarHBondContact N-O 3.16Å; Q640-I649 WeakPolarHBondContact O-CG1 3.35Å; Q640-I649 PolarHBondContact O-N 2.66Å
641	F	96	Very high	91.5	Very high	8 Å²	8	48.6 Å²	48.6	4%	0.035	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	141.5	169.7	-71.9	-98.8	0	0	0	111.6	W344 A593 W594 A595 P596 Y597 A603 I648 L662	W344-F641 PolarHBondContact NE1-O 2.87Å; A593-F641 HydrophobicContact CB-CD2 3.94Å; A593-F641 HydrophobicContact CB-CE2 4.23Å; A593-F641 VanDerWaalsContact O-CE2 3.31Å; A593-F641 WeakPolarHBondContact O-CE2 3.46Å; W594-F641 WeakPolarHBondContact O-CD2 3.48Å; A595-F641 HydrophobicContact CB-CD1 4.14Å; A595-F641 HydrophobicContact CB-CE1 3.9Å; A595-F641 HydrophobicContact CB-CZ 4.14Å; P596-F641 HydrophobicContact CG-CB 4.02Å; Y597-F641 HydrophobicContact CE1-CD1 4.15Å; Y597-F641 WeakPolarHBondContact OH-CE1 3.41Å; A603-F641 HydrophobicContact CB-CE2 3.53Å; A603-F641 HydrophobicContact CB-CZ 3.61Å; F641-I648 HydrophobicContact CB-CG2 4.42Å; F641-I648 HydrophobicContact CD1-CG2 3.48Å; F641-I648 VanDerWaalsContact CD1-CG2 3.48Å; F641-I648 HydrophobicContact CD2-CG2 4.07Å; F641-I648 HydrophobicContact CE1-CG2 3.63Å; F641-I648 HydrophobicContact CE2-CG2 4.18Å; F641-I648 HydrophobicContact CG-CG2 3.72Å; F641-I648 HydrophobicContact CZ-CG2 3.98Å; F641-L662 HydrophobicContact CD1-CD1 4.14Å; F641-L662 HydrophobicContact CE1-CD1 3.82Å
642	N	95	Very high	92.2	Very high	2 Å²	2	45.7 Å²	45.7	1%	0.011	21%	0.211	C	C	.	.			trans	-72.2	140.2	165	-175.6	-59	0	0	0	110	W344 R349 P596 I644 H645 I647	W344-N642 HydrophobicContact CD2-CB 4.33Å; W344-N642 HydrophobicContact CH2-CB 4.41Å; W344-N642 VanDerWaalsContact CH2-ND2 3.35Å; W344-N642 WeakPolarHBondContact CH2-ND2 3.13Å; W344-N642 HydrophobicContact CZ2-CB 3.84Å; W344-N642 VanDerWaalsContact CZ3-ND2 3.35Å; W344-N642 WeakPolarHBondContact CZ3-ND2 3.43Å; R349-N642 PolarHBondContact O-ND2 2.82Å; P596-N642 VanDerWaalsContact CG-O 3.24Å; P596-N642 WeakPolarHBondContact CG-O 3.4Å; N642-I644 PolarHBondContact O-N 2.93Å; N642-I644 PolarHBondContact OD1-N 2.91Å; N642-H645 PolarHBondContact OD1-N 3.3Å; N642-H645 VanDerWaalsContact OD1-N 3.1Å; N642-I647 HydrophobicContact CB-CD1 4.2Å; N642-I647 HydrophobicContact CB-CG1 3.55Å; N642-I647 PolarHBondContact N-O 3.05Å
643	L	89.8	Confident	93.1	Very high	91 Å²	91	36.3 Å²	36.3	48%	0.476	17%	0.172	S	C	.	.	S	Bend	trans	-61.6	-23.9	-175	-60.8	177	0	0	0	114.6	P596	P596-L643 HydrophobicContact CB-CD2 4.18Å
644	I	89.8	Confident	93.6	Very high	92 Å²	92	33.3 Å²	33.3	47%	0.472	16%	0.155	S	C	.	.	S	Bend	trans	-134.5	-34	-170.1	-72.4	172.8	0	0	0	113.1	R349 N642	R349-I644 HydrophobicContact CG-CD1 4.14Å; R349-I644 VanDerWaalsContact NE-CD1 3.28Å; N642-I644 PolarHBondContact O-N 2.93Å; N642-I644 PolarHBondContact OD1-N 2.91Å
645	H	91.4	Very high	93.7	Very high	49 Å²	49	31.9 Å²	31.9	23%	0.227	15%	0.147	C	C	.	.	S	Bend	trans	-95.1	144.1	179.2	-63	-71.2	0	0	0	110.7	F306 N642 I647	F306-H645 HydrophobicContact CE2-CB 3.95Å; F306-H645 HydrophobicContact CZ-CB 4.01Å; F306-H645 AromaticContact CZ-CG 3.7Å; F306-H645 AromaticContact CZ-ND1 3.84Å; N642-H645 PolarHBondContact OD1-N 3.3Å; N642-H645 VanDerWaalsContact OD1-N 3.1Å; H645-I647 HydrophobicContact CB-CG1 4.26Å; H645-I647 PolarHBondContact O-N 3.45Å
646	P	91.4	Very high	93.7	Very high	36 Å²	36	27.9 Å²	27.9	23%	0.234	13%	0.134	C	C	.	.	S	Bend	trans	-77.6	58.5	-179.1	34.3	-37.1	0	0	0	111.5	L662	P646-L662 HydrophobicContact CB-CB 4.46Å; P646-L662 HydrophobicContact CB-CD1 4.48Å; P646-L662 PolarHBondContact O-N 3.39Å
647	I	94.9	Very high	93.7	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.005	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	150.1	175.3	64.9	169.1	0	0	0	110.4	F306 L326 W344 L374 N642 H645 L660 K661	F306-I647 HydrophobicContact CD2-CG2 3.8Å; F306-I647 HydrophobicContact CE2-CD1 3.99Å; F306-I647 HydrophobicContact CE2-CG1 4.47Å; F306-I647 HydrophobicContact CE2-CG2 3.75Å; L326-I647 HydrophobicContact CD1-CG2 4.1Å; W344-I647 HydrophobicContact CH2-CD1 3.91Å; W344-I647 HydrophobicContact CZ2-CD1 4Å; W344-I647 HydrophobicContact CZ2-CG1 4.44Å; L374-I647 HydrophobicContact CD1-CD1 4.04Å; N642-I647 HydrophobicContact CB-CD1 4.2Å; N642-I647 HydrophobicContact CB-CG1 3.55Å; N642-I647 PolarHBondContact N-O 3.05Å; H645-I647 HydrophobicContact CB-CG1 4.26Å; H645-I647 PolarHBondContact O-N 3.45Å; I647-L660 CarbonylContact C-O 3.35Å; I647-L660 WeakPolarHBondContact CA-O 3.39Å; I647-L660 WeakPolarHBondContact CB-O 3.39Å; I647-K661 HydrophobicContact CG2-CB 4.14Å
648	I	95.8	Very high	93.8	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	148.4	165.6	60.2	178.6	0	0	0	109.1	L323 I613 V639 Q640 F641 V650 S659 L660 L662	L323-I648 HydrophobicContact CD1-CD1 4.36Å; L323-I648 HydrophobicContact CD2-CD1 4.04Å; L323-I648 HydrophobicContact CD2-CG1 4.46Å; I613-I648 HydrophobicContact CD1-CD1 4.2Å; V639-I648 HydrophobicContact CG2-CB 4.49Å; V639-I648 HydrophobicContact CG2-CD1 4.45Å; Q640-I648 WeakPolarHBondContact O-CA 2.95Å; F641-I648 HydrophobicContact CB-CG2 4.42Å; F641-I648 HydrophobicContact CD1-CG2 3.48Å; F641-I648 VanDerWaalsContact CD1-CG2 3.48Å; F641-I648 HydrophobicContact CD2-CG2 4.07Å; F641-I648 HydrophobicContact CE1-CG2 3.63Å; F641-I648 HydrophobicContact CE2-CG2 4.18Å; F641-I648 HydrophobicContact CG-CG2 3.72Å; F641-I648 HydrophobicContact CZ-CG2 3.98Å; I648-V650 HydrophobicContact CD1-CG2 4.14Å; I648-V650 HydrophobicContact CG1-CG2 4.27Å; I648-S659 WeakPolarHBondContact O-CA 3.43Å; I648-L660 HydrophobicContact CD1-CB 4.47Å; I648-L660 HydrophobicContact CD1-CD1 4.11Å; I648-L660 HydrophobicContact CG1-CB 3.87Å; I648-L660 HydrophobicContact CG1-CD1 4.22Å; I648-L660 HydrophobicContact CG1-CG 4.45Å; I648-L660 PolarHBondContact N-O 3.13Å; I648-L660 PolarHBondContact O-N 3.28Å; I648-L662 HydrophobicContact CG2-CD1 4.38Å
649	I	96.6	Very high	93.8	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	138.3	163.3	46.8	173.6	0	0	0	108.9	L342 W344 F352 V639 Q640 I657 I658	L342-I649 HydrophobicContact CB-CD1 4.3Å; L342-I649 HydrophobicContact CD1-CD1 4.26Å; L342-I649 HydrophobicContact CD1-CG1 4.18Å; L342-I649 HydrophobicContact CD2-CD1 4.33Å; W344-I649 HydrophobicContact CD2-CD1 4.41Å; W344-I649 HydrophobicContact CH2-CG2 4.38Å; W344-I649 HydrophobicContact CZ2-CB 4.48Å; W344-I649 HydrophobicContact CZ2-CD1 3.98Å; W344-I649 HydrophobicContact CZ2-CG1 4.02Å; W344-I649 HydrophobicContact CZ2-CG2 3.75Å; F352-I649 HydrophobicContact CB-CD1 4Å; F352-I649 HydrophobicContact CD1-CD1 4.48Å; F352-I649 HydrophobicContact CD2-CD1 3.59Å; F352-I649 HydrophobicContact CE2-CD1 4.13Å; F352-I649 HydrophobicContact CG-CD1 3.79Å; F352-I649 HydrophobicContact CZ-CG2 4.41Å; V639-I649 WeakPolarHBondContact CA-O 3.28Å; Q640-I649 HydrophobicContact CB-CD1 4.44Å; Q640-I649 HydrophobicContact CB-CG1 4.06Å; Q640-I649 PolarHBondContact N-O 3.16Å; Q640-I649 WeakPolarHBondContact O-CG1 3.35Å; Q640-I649 PolarHBondContact O-N 2.66Å; I649-I657 HydrophobicContact CB-CG2 3.9Å; I649-I657 HydrophobicContact CG2-CG2 4.24Å; I649-I658 WeakPolarHBondContact CA-O 3.12Å
650	V	96.8	Very high	93.8	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.006	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	128.8	179.4	-163.5	0	0	0	0	109.7	V605 L636 H638 V639 I648 I657 I658 L660	V605-V650 HydrophobicContact CG1-CG1 4.09Å; V605-V650 HydrophobicContact CG2-CG1 3.97Å; L636-V650 HydrophobicContact CB-CG1 4.3Å; L636-V650 HydrophobicContact CD1-CG1 4.1Å; L636-V650 HydrophobicContact CD2-CG1 3.87Å; L636-V650 HydrophobicContact CG-CG1 4.3Å; H638-V650 WeakPolarHBondContact O-CA 3.49Å; H638-V650 WeakPolarHBondContact O-CG1 3.4Å; V639-V650 HydrophobicContact CG2-CG2 4.4Å; I648-V650 HydrophobicContact CD1-CG2 4.14Å; I648-V650 HydrophobicContact CG1-CG2 4.27Å; V650-I657 CarbonylContact O-C 3.3Å; V650-I657 WeakPolarHBondContact O-CA 3.48Å; V650-I657 WeakPolarHBondContact O-CG2 3.47Å; V650-I658 PolarHBondContact N-O 2.85Å; V650-I658 PolarHBondContact O-N 2.87Å; V650-L660 HydrophobicContact CG2-CD1 3.78Å
651	G	95.4	Very high	93.7	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	153	178.8	0	0	0	0	0	113.3	L636 T637 H638	L636-G651 WeakPolarHBondContact CA-O 3.23Å; T637-G651 PolarHBondContact N-O 2.83Å; T637-G651 PolarHBondContact OG1-O 2.93Å; H638-G651 PolarHBondContact O-N 3.46Å
652	D	93.3	Very high	93.6	Very high	8 Å²	8	24.3 Å²	24.3	4%	0.043	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	166.4	176	88.9	-7.9	0	0	0	115	V339 N634 R635 L636 R654 G655 H656	V339-D652 PolarHBondContact N-O 3.05Å; N634-D652 HydrophobicContact CB-CB 4.45Å; N634-D652 PolarHBondContact ND2-OD2 3.34Å; R635-D652 CarbonylContact O-C 3.53Å; R635-D652 WeakPolarHBondContact O-CA 3.43Å; L636-D652 HydrophobicContact CD2-CB 4.05Å; D652-R654 PolarHBondContact O-N 3.31Å; D652-R654 VanDerWaalsContact O-N 3.1Å; D652-R654 VanDerWaalsContact OD1-C 3.31Å; D652-R654 WeakPolarHBondContact OD1-CA 3.29Å; D652-R654 WeakPolarHBondContact OD1-CB 3.35Å; D652-R654 PolarHBondContact OD1-N 3.15Å; D652-G655 PolarHBondContact O-N 3.04Å; D652-G655 PolarHBondContact OD1-N 3.41Å; D652-H656 VanDerWaalsContact CG-ND1 3.32Å; D652-H656 PolarHBondContact N-O 3.36Å; D652-H656 VanDerWaalsContact N-O 3.08Å; D652-H656 IonicContact OD1-CG 3.74Å; D652-H656 PolarHBondContact OD1-N 3.17Å; D652-H656 IonicContact OD1-ND1 2.73Å; D652-H656 PolarHBondContact OD1-ND1 3.18Å; D652-H656 VanDerWaalsContact OD1-ND1 3.08Å; D652-H656 IonicContact OD2-CE1 2.65Å; D652-H656 IonicContact OD2-CG 3Å; D652-H656 IonicContact OD2-ND1 2.67Å; D652-H656 PolarHBondContact OD2-ND1 3.38Å
653	D	91.8	Very high	93.4	Very high	16 Å²	16	24.5 Å²	24.5	9%	0.086	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	10.4	178.9	83.6	-32.8	0	0	0	114.8	N634 R635 T637	N634-D653 WeakPolarHBondContact CA-OD1 3.38Å; R635-D653 HydrophobicContact CB-CB 4.34Å; R635-D653 IonicContact CZ-OD2 3.92Å; R635-D653 VanDerWaalsContact CZ-OD2 3.23Å; R635-D653 PolarHBondContact N-OD1 3.41Å; R635-D653 IonicContact NE-OD2 2.88Å; R635-D653 PolarHBondContact NE-OD2 3.05Å; R635-D653 IonicContact NH2-OD2 3.73Å; R635-D653 PolarHBondContact NH2-OD2 2.98Å; R635-D653 PolarHBondContact O-N 2.72Å; T637-D653 HydrophobicContact CG2-CB 4.32Å
654	R	90.4	Very high	93.3	Very high	121 Å²	121	21.8 Å²	21.8	46%	0.457	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	-119.8	-1.4	175.6	-58.7	-58.1	-178.6	-159.2	-6.3	113.7	K335 L337 N634 D652	K335-R654 CarbonylContact C-O 3.45Å; L337-R654 CarbonylContact O-C 3.48Å; N634-R654 HydrophobicContact CB-CG 4.25Å; N634-R654 WeakPolarHBondContact ND2-CG 3.36Å; D652-R654 PolarHBondContact O-N 3.31Å; D652-R654 VanDerWaalsContact O-N 3.1Å; D652-R654 VanDerWaalsContact OD1-C 3.31Å; D652-R654 WeakPolarHBondContact OD1-CA 3.29Å; D652-R654 WeakPolarHBondContact OD1-CB 3.35Å; D652-R654 PolarHBondContact OD1-N 3.15Å
655	G	89.9	Confident	93.2	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.085	C	C	.	.	S	Bend	trans	90.4	15.7	174.7	0	0	0	0	0	114.9	L337 Y356 D652	L337-G655 WeakPolarHBondContact O-CA 3.39Å; L337-G655 PolarHBondContact O-N 3.16Å; Y356-G655 WeakPolarHBondContact CE1-O 3.28Å; Y356-G655 PolarHBondContact OH-O 3.1Å; D652-G655 PolarHBondContact O-N 3.04Å; D652-G655 PolarHBondContact OD1-N 3.41Å
656	H	92.1	Very high	92.8	Very high	54 Å²	54	15.5 Å²	15.5	25%	0.25	8%	0.076	C	C	.	.			trans	-86	146.2	167.6	-43.6	88.8	0	0	0	109.9	Q330 D652	Q330-H656 PolarHBondContact NE2-CD2 2.84Å; Q330-H656 PolarHBondContact NE2-NE2 3.19Å; D652-H656 VanDerWaalsContact CG-ND1 3.32Å; D652-H656 PolarHBondContact N-O 3.36Å; D652-H656 VanDerWaalsContact N-O 3.08Å; D652-H656 IonicContact OD1-CG 3.74Å; D652-H656 PolarHBondContact OD1-N 3.17Å; D652-H656 IonicContact OD1-ND1 2.73Å; D652-H656 PolarHBondContact OD1-ND1 3.18Å; D652-H656 VanDerWaalsContact OD1-ND1 3.08Å; D652-H656 IonicContact OD2-CE1 2.65Å; D652-H656 IonicContact OD2-CG 3Å; D652-H656 IonicContact OD2-ND1 2.67Å; D652-H656 PolarHBondContact OD2-ND1 3.38Å
657	I	95.1	Very high	92.3	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	135.8	159.7	-45	90.7	0	0	0	107.6	K328 F329 V339 L342 F352 V354 Y356 Y372 I649 V650	K328-I657 CarbonylContact C-O 3.23Å; K328-I657 WeakPolarHBondContact CA-O 3.42Å; F329-I657 HydrophobicContact CB-CB 4.21Å; F329-I657 HydrophobicContact CB-CD1 3.9Å; F329-I657 HydrophobicContact CD2-CB 4.32Å; F329-I657 PolarHBondContact N-O 3.2Å; F329-I657 PolarHBondContact O-N 3.12Å; V339-I657 HydrophobicContact CG2-CG1 4.22Å; L342-I657 HydrophobicContact CD2-CG1 4.33Å; L342-I657 HydrophobicContact CD2-CG2 4.45Å; F352-I657 HydrophobicContact CE2-CG1 4.41Å; F352-I657 HydrophobicContact CE2-CG2 4.19Å; V354-I657 HydrophobicContact CG1-CD1 4.09Å; V354-I657 HydrophobicContact CG1-CG1 4.21Å; V354-I657 HydrophobicContact CG2-CD1 3.9Å; V354-I657 HydrophobicContact CG2-CG1 4.07Å; Y356-I657 VanDerWaalsContact OH-CD1 3.3Å; Y356-I657 WeakPolarHBondContact OH-CD1 3.32Å; Y372-I657 HydrophobicContact CD2-CD1 4.23Å; Y372-I657 HydrophobicContact CE2-CD1 3.71Å; I649-I657 HydrophobicContact CB-CG2 3.9Å; I649-I657 HydrophobicContact CG2-CG2 4.24Å; V650-I657 CarbonylContact O-C 3.3Å; V650-I657 WeakPolarHBondContact O-CA 3.48Å; V650-I657 WeakPolarHBondContact O-CG2 3.47Å
658	I	95.3	Very high	91	Very high	24 Å²	24	20.7 Å²	20.7	12%	0.123	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	127.3	173.4	-51	-176.1	0	0	0	108.1	K328 V629 I649 V650 L660	K328-I658 HydrophobicContact CG-CG1 4.31Å; K328-I658 HydrophobicContact CG-CG2 4.32Å; V629-I658 HydrophobicContact CG1-CB 4.47Å; V629-I658 HydrophobicContact CG1-CD1 4.1Å; I649-I658 WeakPolarHBondContact CA-O 3.12Å; V650-I658 PolarHBondContact N-O 2.85Å; V650-I658 PolarHBondContact O-N 2.87Å; I658-L660 HydrophobicContact CG2-CD2 3.57Å; I658-L660 HydrophobicContact CG2-CG 4.28Å
659	S	95.9	Very high	89.4	Confident	0 Å²	0	27.2 Å²	27.2	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	132.6	167.3	-179.1	0	0	0	0	109.3	L326 W327 I648	L326-S659 PolarHBondContact N-O 3.43Å; W327-S659 PolarHBondContact O-N 2.91Å; I648-S659 WeakPolarHBondContact O-CA 3.43Å
660	L	95.8	Very high	87.5	Confident	3 Å²	3	31 Å²	31	2%	0.016	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	133.8	-178.9	-50.4	171.2	0	0	0	109.1	L323 L324 P325 V629 I647 I648 V650 I658	L323-L660 HydrophobicContact CB-CB 4.35Å; L323-L660 HydrophobicContact CB-CD1 4.44Å; L323-L660 HydrophobicContact CD1-CD1 3.98Å; L323-L660 HydrophobicContact CD2-CB 3.97Å; L323-L660 HydrophobicContact CD2-CD1 4.49Å; L324-L660 CarbonylContact O-C 3.6Å; L324-L660 WeakPolarHBondContact O-CA 3.42Å; P325-L660 HydrophobicContact CB-CD2 3.92Å; V629-L660 HydrophobicContact CB-CD1 4.34Å; V629-L660 HydrophobicContact CG1-CD1 3.86Å; V629-L660 HydrophobicContact CG1-CD2 4.29Å; V629-L660 HydrophobicContact CG2-CD1 3.48Å; V629-L660 VanDerWaalsContact CG2-CD1 3.48Å; V629-L660 HydrophobicContact CG2-CD2 4.49Å; I647-L660 CarbonylContact C-O 3.35Å; I647-L660 WeakPolarHBondContact CA-O 3.39Å; I647-L660 WeakPolarHBondContact CB-O 3.39Å; I648-L660 HydrophobicContact CD1-CB 4.47Å; I648-L660 HydrophobicContact CD1-CD1 4.11Å; I648-L660 HydrophobicContact CG1-CB 3.87Å; I648-L660 HydrophobicContact CG1-CD1 4.22Å; I648-L660 HydrophobicContact CG1-CG 4.45Å; I648-L660 PolarHBondContact N-O 3.13Å; I648-L660 PolarHBondContact O-N 3.28Å; V650-L660 HydrophobicContact CG2-CD1 3.78Å; I658-L660 HydrophobicContact CG2-CD2 3.57Å; I658-L660 HydrophobicContact CG2-CG 4.28Å
661	K	95.3	Very high	85.4	Confident	11 Å²	11	40.2 Å²	40.2	5%	0.048	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	136.7	173.2	175.6	167.8	172.9	172.8	0	111	D305 F306 Y309 L323 L324 L326 I647	D305-K661 PolarHBondContact O-NZ 3.11Å; F306-K661 PolarHBondContact O-NZ 2.78Å; Y309-K661 WeakPolarHBondContact O-CE 3.43Å; Y309-K661 PolarHBondContact O-NZ 3.14Å; L323-K661 WeakPolarHBondContact CA-O 3.16Å; L324-K661 HydrophobicContact CB-CB 4.32Å; L324-K661 PolarHBondContact N-O 3.26Å; L324-K661 PolarHBondContact O-N 3.08Å; L326-K661 HydrophobicContact CD1-CB 3.84Å; L326-K661 HydrophobicContact CG-CB 4.16Å; I647-K661 HydrophobicContact CG2-CB 4.14Å
662	L	93.4	Very high	83.4	Confident	1 Å²	1	46.6 Å²	46.6	1%	0.005	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	124.3	-179.1	-62.6	163.2	0	0	0	110	L323 Y597 I613 F641 P646 I648 L666 R667	L323-L662 HydrophobicContact CD2-CD2 3.66Å; L323-L662 HydrophobicContact CD2-CG 4.43Å; Y597-L662 WeakPolarHBondContact OH-CD1 3.31Å; I613-L662 HydrophobicContact CD1-CD2 3.41Å; I613-L662 VanDerWaalsContact CD1-CD2 3.41Å; F641-L662 HydrophobicContact CD1-CD1 4.14Å; F641-L662 HydrophobicContact CE1-CD1 3.82Å; P646-L662 HydrophobicContact CB-CB 4.46Å; P646-L662 HydrophobicContact CB-CD1 4.48Å; P646-L662 PolarHBondContact O-N 3.39Å; I648-L662 HydrophobicContact CG2-CD1 4.38Å; L662-L666 HydrophobicContact CB-CB 4.35Å; L662-L666 HydrophobicContact CD2-CB 4.35Å; L662-L666 HydrophobicContact CD2-CD1 3.95Å; L662-R667 PolarHBondContact O-NH1 3.08Å
663	S	91.8	Very high	81.3	Confident	6 Å²	6	53.5 Å²	53.5	4%	0.042	25%	0.249	C	C	.	.	P	Polyproline II helix	trans	-62.1	159.8	175.5	81.3	0	0	0	0	112.1	D314 G321 T322 N665 L666	D314-S663 WeakPolarHBondContact OD2-CB 3.32Å; D314-S663 PolarHBondContact OD2-OG 3.49Å; G321-S663 WeakPolarHBondContact CA-OG 3.49Å; T322-S663 PolarHBondContact N-OG 3.2Å; T322-S663 VanDerWaalsContact O-CB 3.3Å; T322-S663 WeakPolarHBondContact O-CB 3.02Å; T322-S663 PolarHBondContact O-N 3.16Å; T322-S663 VanDerWaalsContact O-N 3.11Å; T322-S663 PolarHBondContact O-OG 2.99Å; T322-S663 VanDerWaalsContact OG1-CB 3.31Å; T322-S663 WeakPolarHBondContact OG1-CB 3.5Å; S663-N665 PolarHBondContact O-N 2.83Å; S663-N665 VanDerWaalsContact O-N 3.13Å; S663-L666 PolarHBondContact O-N 2.83Å; S663-L666 VanDerWaalsContact O-N 3.1Å
664	P	88.2	Confident	78.9	Confident	35 Å²	35	63.3 Å²	63.3	23%	0.227	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-51.6	-35.5	-179.2	-29.8	37.2	0	0	0	114.5	D310 D314 L666 R667 K668	D310-P664 HydrophobicContact CB-CG 3.9Å; D314-P664 HydrophobicContact CB-CB 4.43Å; D314-P664 WeakPolarHBondContact OD2-CD 3.3Å; P664-L666 VanDerWaalsContact C-N 3.33Å; P664-L666 PolarHBondContact O-N 3.1Å; P664-R667 CarbonylContact O-C 3.57Å; P664-R667 WeakPolarHBondContact O-CG 3.29Å; P664-R667 PolarHBondContact O-N 2.82Å; P664-K668 PolarHBondContact O-N 3.01Å; P664-K668 VanDerWaalsContact O-N 3.17Å
665	N	85.7	Confident	77.2	Confident	4 Å²	4	61.7 Å²	61.7	2%	0.021	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-64.6	-34.8	-179.4	-72	-9.3	0	0	0	113.4	D314 R317 V320 S663 R667 K668	D314-N665 HydrophobicContact CB-CB 4.41Å; D314-N665 VanDerWaalsContact CG-ND2 3.35Å; D314-N665 PolarHBondContact O-ND2 2.8Å; D314-N665 VanDerWaalsContact O-ND2 3.09Å; D314-N665 PolarHBondContact O-OD1 2.86Å; D314-N665 WeakPolarHBondContact OD2-CB 3.14Å; D314-N665 PolarHBondContact OD2-N 2.77Å; R317-N665 PolarHBondContact O-ND2 3.05Å; R317-N665 VanDerWaalsContact O-ND2 3.16Å; V320-N665 PolarHBondContact O-ND2 3.47Å; S663-N665 PolarHBondContact O-N 2.83Å; S663-N665 VanDerWaalsContact O-N 3.13Å; N665-R667 PolarHBondContact O-N 2.96Å; N665-K668 HydrophobicContact CB-CD 4.41Å; N665-K668 WeakPolarHBondContact OD1-CE 3.49Å; N665-K668 PolarHBondContact OD1-NZ 3.43Å
666	L	84.6	Confident	75.5	Confident	5 Å²	5	68.2 Å²	68.2	3%	0.026	34%	0.342	C	S	.	.	G	3₁₀ helix	trans	-76.6	-1.3	179.5	-54.7	179.7	0	0	0	113.7	T322 L323 I613 I624 C625 L662 S663 P664	T322-L666 WeakPolarHBondContact O-CD1 3.43Å; L323-L666 HydrophobicContact CD2-CD1 4.49Å; I613-L666 HydrophobicContact CD1-CD1 3.9Å; I613-L666 HydrophobicContact CG2-CD1 4.46Å; I613-L666 HydrophobicContact CG2-CD2 4.15Å; I624-L666 HydrophobicContact CB-CD2 4.14Å; I624-L666 HydrophobicContact CG2-CD2 3.71Å; C625-L666 HydrophobicContact CB-CD1 3.87Å; C625-L666 HydrophobicContact CB-CD2 3.82Å; C625-L666 HydrophobicContact CB-CG 4.47Å; L662-L666 HydrophobicContact CB-CB 4.35Å; L662-L666 HydrophobicContact CD2-CB 4.35Å; L662-L666 HydrophobicContact CD2-CD1 3.95Å; S663-L666 PolarHBondContact O-N 2.83Å; S663-L666 VanDerWaalsContact O-N 3.1Å; P664-L666 VanDerWaalsContact C-N 3.33Å; P664-L666 PolarHBondContact O-N 3.1Å
667	R	80.3	Confident	73.7	Confident	65 Å²	65	74.8 Å²	74.8	25%	0.245	37%	0.373	C	S	.	.	G	3₁₀ helix	trans	-140.8	25.4	-178	66.1	-170.1	-144.5	-119.4	-3.3	112.4	D310 L662 P664 N665 M669	D310-R667 IonicContact OD1-CZ 2.56Å; D310-R667 VanDerWaalsContact OD1-CZ 3.23Å; D310-R667 IonicContact OD1-NH1 2.81Å; D310-R667 PolarHBondContact OD1-NH1 3.31Å; D310-R667 IonicContact OD1-NH2 2.77Å; D310-R667 PolarHBondContact OD1-NH2 2.67Å; D310-R667 IonicContact OD2-CZ 3.41Å; D310-R667 IonicContact OD2-NH1 2.73Å; D310-R667 IonicContact OD2-NH2 3.23Å; D310-R667 PolarHBondContact OD2-NH2 2.7Å; L662-R667 PolarHBondContact O-NH1 3.08Å; P664-R667 CarbonylContact O-C 3.57Å; P664-R667 WeakPolarHBondContact O-CG 3.29Å; P664-R667 PolarHBondContact O-N 2.82Å; N665-R667 PolarHBondContact O-N 2.96Å; R667-M669 PolarHBondContact O-N 2.8Å
668	K	68.5	Low	71.9	Confident	80 Å²	80	77.1 Å²	77.1	35%	0.348	39%	0.387	S	S	.	.			trans	-59.4	94.5	179.4	-98.1	168.4	170.2	159	0	110.9	D318 I618 P664 N665	D318-K668 PolarHBondContact O-NZ 2.98Å; D318-K668 VanDerWaalsContact O-NZ 3.17Å; I618-K668 HydrophobicContact CD1-CB 4.36Å; P664-K668 PolarHBondContact O-N 3.01Å; P664-K668 VanDerWaalsContact O-N 3.17Å; N665-K668 HydrophobicContact CB-CD 4.41Å; N665-K668 WeakPolarHBondContact OD1-CE 3.49Å; N665-K668 PolarHBondContact OD1-NZ 3.43Å
669	M	62	Low	70.2	Confident	138 Å²	138	83.4 Å²	83.4	68%	0.68	42%	0.416	S	S	*	.	P	Polyproline II helix	trans	-64.7	155.3	168.2	-68.3	-172.4	177.8	0	0	110.8	R667 K671	R667-M669 PolarHBondContact O-N 2.8Å; M669-K671 PolarHBondContact O-N 3.07Å
670	P	55.8	Low	68.7	Low	79 Å²	79	90.7 Å²	90.7	51%	0.513	45%	0.448	S	S	.	.	P	Polyproline II helix	trans	-54.1	123.6	175.9	-26	35.2	0	0	0	111.6	E672	P670-E672 PolarHBondContact O-N 3.45Å
671	K	52.8	Low	67.5	Low	194 Å²	194	92.1 Å²	92.1	84%	0.843	46%	0.463	S	S	*	.	P	Polyproline II helix	trans	-58.8	125.8	-176	-71.8	-169.8	175.3	-172.7	0	111.1	M669 K673	M669-K671 PolarHBondContact O-N 3.07Å; K671-K673 PolarHBondContact O-N 3.25Å
672	E	52.7	Low	66.8	Low	134 Å²	134	95.4 Å²	95.4	63%	0.626	49%	0.486	S	S	*	.	P	Polyproline II helix	trans	-65.1	117.3	179.8	-49.4	-161	145	0	0	110.2	P670 V678 K680	P670-E672 PolarHBondContact O-N 3.45Å; E672-V678 HydrophobicContact CB-CG2 4.21Å; E672-V678 HydrophobicContact CG-CG2 3.85Å; E672-K680 IonicContact OE1-NZ 2.67Å; E672-K680 PolarHBondContact OE1-NZ 2.99Å
673	K	49.4	Very low	66.4	Low	154 Å²	154	98.9 Å²	98.9	67%	0.67	52%	0.515	S	S	*	.	P	Polyproline II helix	trans	-81.8	123.2	168.9	-73.3	-175.5	177.1	-178.9	0	108.4	K671 G675 Q676	K671-K673 PolarHBondContact O-N 3.25Å; K673-G675 PolarHBondContact O-N 2.93Å; K673-Q676 PolarHBondContact O-N 3.31Å
674	K	41.2	Very low	66.1	Low	222 Å²	222	101 Å²	101	97%	0.965	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.7	116	176.1	-72.8	-174.3	174.9	-177.3	0	110.1
675	G	55.7	Low	66	Low	87 Å²	87	100.6 Å²	100.6	90%	0.897	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	101.8	-3.1	-179.5	0	0	0	0	0	116.3	K673	K673-G675 PolarHBondContact O-N 2.93Å
676	Q	54.9	Low	66.2	Low	136 Å²	136	103 Å²	103	64%	0.636	54%	0.535	S	S	*	.			trans	-109.7	125.5	166.6	-69.6	-170.4	-76.3	0	0	110.7	K673 V678	K673-Q676 PolarHBondContact O-N 3.31Å; Q676-V678 PolarHBondContact O-N 3.37Å
677	E	53.4	Low	66.3	Low	192 Å²	192	105.5 Å²	105.5	90%	0.897	56%	0.556	S	S	*	*			trans	-63.6	122.1	161.7	-68.4	-169.1	143.2	0	0	108.9	Q679	E677-Q679 PolarHBondContact O-N 3.25Å; E677-Q679 VanDerWaalsContact O-N 3.16Å
678	V	58	Low	66.7	Low	50 Å²	50	104.8 Å²	104.8	30%	0.303	55%	0.554	S	S	.	*			trans	-73.5	109.4	172.4	-179.7	0	0	0	0	108	E672 Q676 K680	E672-V678 HydrophobicContact CB-CG2 4.21Å; E672-V678 HydrophobicContact CG-CG2 3.85Å; Q676-V678 PolarHBondContact O-N 3.37Å; V678-K680 HydrophobicContact CG1-CG 4.09Å; V678-K680 WeakPolarHBondContact O-CG 2.9Å; V678-K680 PolarHBondContact O-N 3.08Å
679	Q	59.2	Low	67.6	Low	156 Å²	156	101 Å²	101	73%	0.729	54%	0.538	S	S	*	.			trans	-56.9	111.8	168.2	-66.9	-176.9	0.5	0	0	108.7	E677 V684	E677-Q679 PolarHBondContact O-N 3.25Å; E677-Q679 VanDerWaalsContact O-N 3.16Å; Q679-V684 HydrophobicContact CB-CG2 3.8Å; Q679-V684 WeakPolarHBondContact O-CG2 3.34Å
680	K	63.2	Low	68.9	Low	152 Å²	152	96.5 Å²	96.5	66%	0.661	52%	0.517	S	S	*	.			trans	-110.3	114.8	-179.2	-76.5	161.4	-175.8	165.3	0	107.9	E672 V678	E672-K680 IonicContact OE1-NZ 2.67Å; E672-K680 PolarHBondContact OE1-NZ 2.99Å; V678-K680 HydrophobicContact CG1-CG 4.09Å; V678-K680 WeakPolarHBondContact O-CG 2.9Å; V678-K680 PolarHBondContact O-N 3.08Å
681	G	71	Confident	70.4	Confident	34 Å²	34	100.8 Å²	100.8	35%	0.351	53%	0.527	S	S	.	.	S	Bend	trans	164.9	171	178.3	0	0	0	0	0	113.9	A683 V684	G681-A683 VanDerWaalsContact C-N 3.3Å; G681-A683 PolarHBondContact O-N 3.23Å; G681-V684 PolarHBondContact O-N 3.28Å; G681-V684 VanDerWaalsContact O-N 3.12Å
682	P	80.7	Confident	72	Confident	80 Å²	80	92.2 Å²	92.2	52%	0.519	49%	0.491	S	S	.	.	H	α-helix	trans	-54.9	-39.3	-172.8	-29.2	36.6	0	0	0	114.5	Y555 V684 E685 I686	Y555-P682 HydrophobicContact CD1-CB 4.04Å; Y555-P682 HydrophobicContact CD1-CG 4.5Å; Y555-P682 HydrophobicContact CE1-CB 4.49Å; P682-V684 PolarHBondContact O-N 3Å; P682-E685 PolarHBondContact O-N 3.49Å; P682-I686 HydrophobicContact CB-CD1 4.47Å; P682-I686 WeakPolarHBondContact O-CB 3.2Å; P682-I686 VanDerWaalsContact O-CG1 3.28Å; P682-I686 WeakPolarHBondContact O-CG1 3.43Å; P682-I686 PolarHBondContact O-N 3.38Å
683	A	84.8	Confident	73.5	Confident	74 Å²	74	85.9 Å²	85.9	61%	0.612	46%	0.461	S	S	*	.	H	α-helix	trans	-58.4	-32	-179.1	0	0	0	0	0	113.7	G681 A687	G681-A683 VanDerWaalsContact C-N 3.3Å; G681-A683 PolarHBondContact O-N 3.23Å; A683-A687 WeakPolarHBondContact O-CB 3.36Å; A683-A687 PolarHBondContact O-N 3.37Å
684	V	85.7	Confident	75.2	Confident	50 Å²	50	82 Å²	82	30%	0.303	45%	0.448	S	S	.	.	H	α-helix	trans	-77.1	-39.8	179.3	177.7	0	0	0	0	111.1	Q679 G681 P682 A687 K688	Q679-V684 HydrophobicContact CB-CG2 3.8Å; Q679-V684 WeakPolarHBondContact O-CG2 3.34Å; G681-V684 PolarHBondContact O-N 3.28Å; G681-V684 VanDerWaalsContact O-N 3.12Å; P682-V684 PolarHBondContact O-N 3Å; V684-A687 PolarHBondContact O-N 3.19Å; V684-K688 VanDerWaalsContact O-CB 3.29Å; V684-K688 WeakPolarHBondContact O-CB 3.45Å; V684-K688 PolarHBondContact O-N 3.46Å
685	E	86.8	Confident	77.2	Confident	26 Å²	26	75.3 Å²	75.3	12%	0.121	42%	0.422	C	S	.	.	H	α-helix	trans	-70.7	-32.7	174.3	-70.2	-62.6	115.4	0	0	111.9	Y555 S598 S599 P682 K688 L689	Y555-E685 HydrophobicContact CD1-CB 4.12Å; Y555-E685 HydrophobicContact CE1-CB 4.43Å; Y555-E685 HydrophobicContact CG-CB 4.16Å; S598-E685 WeakPolarHBondContact CA-OE2 3.33Å; S598-E685 VanDerWaalsContact CB-OE2 3.3Å; S598-E685 WeakPolarHBondContact CB-OE2 3.4Å; S598-E685 PolarHBondContact OG-OE2 3.23Å; S599-E685 WeakPolarHBondContact CB-O 3.04Å; S599-E685 PolarHBondContact N-OE2 3.26Å; S599-E685 PolarHBondContact OG-O 2.86Å; S599-E685 PolarHBondContact OG-OE2 3.3Å; P682-E685 PolarHBondContact O-N 3.49Å; E685-K688 WeakPolarHBondContact OE1-CD 3.28Å; E685-K688 IonicContact OE2-NZ 2.59Å; E685-L689 PolarHBondContact O-N 2.66Å
686	I	88.7	Confident	78.3	Confident	55 Å²	55	72 Å²	72	28%	0.282	38%	0.384	S	S	.	.	H	α-helix	trans	-61.4	-52.8	169	-70.4	164.9	0	0	0	109.8	Y555 P682 K688 L689 D690	Y555-I686 WeakPolarHBondContact O-CD1 3.44Å; Y555-I686 WeakPolarHBondContact O-CG1 3.36Å; P682-I686 HydrophobicContact CB-CD1 4.47Å; P682-I686 WeakPolarHBondContact O-CB 3.2Å; P682-I686 VanDerWaalsContact O-CG1 3.28Å; P682-I686 WeakPolarHBondContact O-CG1 3.43Å; P682-I686 PolarHBondContact O-N 3.38Å; I686-K688 VanDerWaalsContact C-N 3.32Å; I686-K688 PolarHBondContact O-N 2.9Å; I686-L689 PolarHBondContact O-N 1.9Å; I686-L689 VanDerWaalsContact O-N 3.1Å; I686-D690 PolarHBondContact O-N 2.76Å
687	A	88.3	Confident	79.3	Confident	57 Å²	57	68.2 Å²	68.2	47%	0.471	36%	0.364	S	S	.	.	H	α-helix	trans	-63.3	-33.9	179.5	0	0	0	0	0	113.5	A683 V684 L689 K691	A683-A687 WeakPolarHBondContact O-CB 3.36Å; A683-A687 PolarHBondContact O-N 3.37Å; V684-A687 PolarHBondContact O-N 3.19Å; A687-L689 VanDerWaalsContact C-N 3.33Å; A687-K691 WeakPolarHBondContact O-CB 3.46Å; A687-K691 PolarHBondContact O-N 2.89Å; A687-K691 VanDerWaalsContact O-N 3.08Å
688	K	87.3	Confident	79.7	Confident	50 Å²	50	64.4 Å²	64.4	22%	0.217	35%	0.346	C	S	.	.	H	α-helix	trans	-57.9	-45.3	171.9	-175.3	-168.4	-175.8	-166.1	0	110.8	S598 T600 V684 E685 I686	S598-K688 PolarHBondContact OG-NZ 3.33Å; T600-K688 HydrophobicContact CG2-CD 3.85Å; T600-K688 HydrophobicContact CG2-CG 3.97Å; T600-K688 WeakPolarHBondContact OG1-CE 3.32Å; T600-K688 PolarHBondContact OG1-NZ 3.33Å; V684-K688 VanDerWaalsContact O-CB 3.29Å; V684-K688 WeakPolarHBondContact O-CB 3.45Å; V684-K688 PolarHBondContact O-N 3.46Å; E685-K688 WeakPolarHBondContact OE1-CD 3.28Å; E685-K688 IonicContact OE2-NZ 2.59Å; I686-K688 VanDerWaalsContact C-N 3.32Å; I686-K688 PolarHBondContact O-N 2.9Å
689	L	88.1	Confident	79.8	Confident	1 Å²	1	66.4 Å²	66.4	1%	0.005	36%	0.359	C	S	.	.	H	α-helix	trans	-75	-47.5	178.6	-165.6	69.9	0	0	0	111.8	H556 V559 T600 L616 E685 I686 A687 K691 L692 L693	H556-L689 HydrophobicContact CB-CD2 3.56Å; V559-L689 HydrophobicContact CB-CD2 4.23Å; V559-L689 HydrophobicContact CG1-CD2 4.28Å; V559-L689 HydrophobicContact CG2-CD2 4.04Å; T600-L689 HydrophobicContact CG2-CD1 3.87Å; L616-L689 HydrophobicContact CD1-CD1 3.99Å; E685-L689 PolarHBondContact O-N 2.66Å; I686-L689 PolarHBondContact O-N 1.9Å; I686-L689 VanDerWaalsContact O-N 3.1Å; A687-L689 VanDerWaalsContact C-N 3.33Å; L689-K691 VanDerWaalsContact C-N 3.29Å; L689-K691 PolarHBondContact O-N 2.88Å; L689-L692 HydrophobicContact CD1-CD2 4.24Å; L689-L692 CarbonylContact O-C 3.57Å; L689-L692 WeakPolarHBondContact O-CA 3.44Å; L689-L692 WeakPolarHBondContact O-CB 3.48Å; L689-L692 PolarHBondContact O-N 2.91Å; L689-L693 HydrophobicContact CD2-CD1 4.36Å; L689-L693 HydrophobicContact CG-CD1 4.06Å; L689-L693 HydrophobicContact CG-CG 4.16Å; L689-L693 WeakPolarHBondContact O-CG 3.08Å; L689-L693 PolarHBondContact O-N 2.85Å
690	D	89	Confident	79.5	Confident	44 Å²	44	63.9 Å²	63.9	24%	0.235	35%	0.345	C	S	.	.	H	α-helix	trans	-54.4	-42.6	178.6	-89.2	-40.6	0	0	0	112.5	H556 I686 L692 L693 N694	H556-D690 IonicContact CD2-OD1 3.93Å; H556-D690 IonicContact CD2-OD2 3.86Å; H556-D690 IonicContact CE1-OD1 2.62Å; H556-D690 IonicContact NE2-OD1 2.7Å; H556-D690 PolarHBondContact NE2-OD1 3.4Å; H556-D690 IonicContact NE2-OD2 3.82Å; H556-D690 PolarHBondContact NE2-OD2 2.87Å; I686-D690 PolarHBondContact O-N 2.76Å; D690-L692 PolarHBondContact O-N 2.62Å; D690-L693 PolarHBondContact O-N 3.47Å; D690-N694 WeakPolarHBondContact O-CB 3.35Å; D690-N694 PolarHBondContact O-N 2.93Å; D690-N694 PolarHBondContact O-ND2 2.7Å
691	K	87.4	Confident	78.8	Confident	168 Å²	168	63.2 Å²	63.2	73%	0.73	35%	0.347	S	S	*	.	H	α-helix	trans	-59	-36.3	175.8	-176.7	177	180	179.8	0	112.5	A687 L689 L695	A687-K691 WeakPolarHBondContact O-CB 3.46Å; A687-K691 PolarHBondContact O-N 2.89Å; A687-K691 VanDerWaalsContact O-N 3.08Å; L689-K691 VanDerWaalsContact C-N 3.29Å; L689-K691 PolarHBondContact O-N 2.88Å; K691-L695 PolarHBondContact O-N 3.17Å
692	L	86.2	Confident	77.4	Confident	15 Å²	15	69.3 Å²	69.3	8%	0.079	36%	0.364	C	S	.	.	H	α-helix	trans	-78.5	-40.6	179.1	173.3	138.7	0	0	0	112	F581 L616 L689 D690 L695 V696	F581-L692 HydrophobicContact CE2-CD2 3.58Å; F581-L692 HydrophobicContact CZ-CD2 3.48Å; F581-L692 VanDerWaalsContact CZ-CD2 3.48Å; F581-L692 HydrophobicContact CZ-CG 4.17Å; L616-L692 VanDerWaalsContact C-CD1 3.45Å; L616-L692 HydrophobicContact CB-CD1 3.75Å; L616-L692 HydrophobicContact CB-CD2 4.13Å; L616-L692 HydrophobicContact CD1-CD2 4.36Å; L616-L692 WeakPolarHBondContact O-CD1 3.39Å; L689-L692 HydrophobicContact CD1-CD2 4.24Å; L689-L692 CarbonylContact O-C 3.57Å; L689-L692 WeakPolarHBondContact O-CA 3.44Å; L689-L692 WeakPolarHBondContact O-CB 3.48Å; L689-L692 PolarHBondContact O-N 2.91Å; D690-L692 PolarHBondContact O-N 2.62Å; L692-L695 PolarHBondContact O-N 2.85Å; L692-V696 PolarHBondContact O-N 3.09Å
693	L	84.9	Confident	75.3	Confident	1 Å²	1	73.6 Å²	73.6	1%	0.005	39%	0.389	C	S	.	.	H	α-helix	trans	-62.2	-44.1	174.7	-62.9	172.1	0	0	0	111.5	V559 M580 L689 D690 V696 R697	V559-L693 HydrophobicContact CG2-CD1 3.7Å; V559-L693 HydrophobicContact CG2-CD2 4.29Å; M580-L693 HydrophobicContact CE-CB 3.64Å; M580-L693 HydrophobicContact CE-CD2 3.55Å; M580-L693 HydrophobicContact CE-CG 4.15Å; M580-L693 WeakPolarHBondContact CE-O 3.08Å; L689-L693 HydrophobicContact CD2-CD1 4.36Å; L689-L693 HydrophobicContact CG-CD1 4.06Å; L689-L693 HydrophobicContact CG-CG 4.16Å; L689-L693 WeakPolarHBondContact O-CG 3.08Å; L689-L693 PolarHBondContact O-N 2.85Å; D690-L693 PolarHBondContact O-N 3.47Å; L693-V696 PolarHBondContact O-N 3.2Å; L693-R697 WeakPolarHBondContact O-CG 3.43Å; L693-R697 PolarHBondContact O-N 2.78Å
694	N	84.9	Confident	74.8	Confident	71 Å²	71	73.6 Å²	73.6	38%	0.38	38%	0.378	S	S	.	.	H	α-helix	trans	-66.7	-37.9	-179.7	-69.3	-18.5	0	0	0	112.3	D690 V696 R697 E698	D690-N694 WeakPolarHBondContact O-CB 3.35Å; D690-N694 PolarHBondContact O-N 2.93Å; D690-N694 PolarHBondContact O-ND2 2.7Å; N694-V696 VanDerWaalsContact C-N 3.3Å; N694-V696 PolarHBondContact O-N 2.8Å; N694-R697 WeakPolarHBondContact O-CB 3.44Å; N694-R697 PolarHBondContact O-N 3.4Å; N694-R697 PolarHBondContact OD1-NH1 3.25Å; N694-E698 PolarHBondContact O-N 3.28Å
695	L	82	Confident	74.2	Confident	82 Å²	82	74.8 Å²	74.8	43%	0.429	38%	0.382	S	S	.	.	H	α-helix	trans	-61.2	-37.2	174.1	-176	152.8	0	0	0	112.2	K691 L692 V699	K691-L695 PolarHBondContact O-N 3.17Å; L692-L695 PolarHBondContact O-N 2.85Å; L695-V699 WeakPolarHBondContact O-CG2 3.29Å; L695-V699 PolarHBondContact O-N 2.74Å
696	V	79	Confident	73.5	Confident	17 Å²	17	77.6 Å²	77.6	10%	0.103	40%	0.397	C	S	.	.	H	α-helix	trans	-73.9	-34.7	175.1	173.4	0	0	0	0	112.3	F581 L692 L693 N694 V699 K700	F581-V696 HydrophobicContact CE1-CG2 3.87Å; F581-V696 HydrophobicContact CE2-CG2 4.34Å; F581-V696 HydrophobicContact CZ-CG2 3.54Å; L692-V696 PolarHBondContact O-N 3.09Å; L693-V696 PolarHBondContact O-N 3.2Å; N694-V696 VanDerWaalsContact C-N 3.3Å; N694-V696 PolarHBondContact O-N 2.8Å; V696-V699 PolarHBondContact O-N 2.62Å; V696-K700 PolarHBondContact O-N 3.34Å
697	R	75.9	Confident	72.6	Confident	57 Å²	57	78.9 Å²	78.9	22%	0.215	40%	0.403	C	S	.	.	H	α-helix	trans	-61.1	-49.1	172.8	-74.3	163.8	174.5	157	-0.2	111.7	D573 M580 L693 N694 V699 K700 I701	D573-R697 IonicContact OD2-CZ 3.23Å; D573-R697 IonicContact OD2-NH2 2.87Å; D573-R697 PolarHBondContact OD2-NH2 3.29Å; M580-R697 HydrophobicContact CE-CG 4Å; M580-R697 HydrophobicContact SD-CG 4.35Å; L693-R697 WeakPolarHBondContact O-CG 3.43Å; L693-R697 PolarHBondContact O-N 2.78Å; N694-R697 WeakPolarHBondContact O-CB 3.44Å; N694-R697 PolarHBondContact O-N 3.4Å; N694-R697 PolarHBondContact OD1-NH1 3.25Å; R697-V699 VanDerWaalsContact C-N 3.29Å; R697-V699 PolarHBondContact O-N 3.36Å; R697-K700 PolarHBondContact O-N 3.39Å; R697-I701 WeakPolarHBondContact O-CD1 3.47Å; R697-I701 VanDerWaalsContact O-CG1 3.29Å; R697-I701 WeakPolarHBondContact O-CG1 3.36Å; R697-I701 PolarHBondContact O-N 3.28Å
698	E	63.3	Low	71.6	Confident	112 Å²	112	80.3 Å²	80.3	52%	0.523	40%	0.399	S	S	.	.	H	α-helix	trans	-61.6	-35.3	-179.8	-76.6	-173.2	-141.1	0	0	113.5	N694 I701 K702	N694-E698 PolarHBondContact O-N 3.28Å; E698-I701 PolarHBondContact O-N 3.41Å; E698-K702 IonicContact OE2-NZ 3.91Å
699	V	58.9	Low	70.6	Confident	92 Å²	92	82.3 Å²	82.3	56%	0.558	41%	0.411	S	S	*	.	H	α-helix	trans	-65.7	-44.3	176.5	170	0	0	0	0	111	L695 V696 R697 I701 K702	L695-V699 WeakPolarHBondContact O-CG2 3.29Å; L695-V699 PolarHBondContact O-N 2.74Å; V696-V699 PolarHBondContact O-N 2.62Å; R697-V699 VanDerWaalsContact C-N 3.29Å; R697-V699 PolarHBondContact O-N 3.36Å; V699-I701 PolarHBondContact O-N 3.22Å; V699-K702 PolarHBondContact O-N 3.31Å
700	K	52.3	Low	69.3	Low	104 Å²	104	88.1 Å²	88.1	45%	0.452	44%	0.44	S	S	.	.	H	α-helix	trans	-69.9	-8.4	177.8	-71.4	-172	179.6	-176.8	0	114.8	P579 V696 R697	P579-K700 PolarHBondContact O-NZ 2.93Å; V696-K700 PolarHBondContact O-N 3.34Å; R697-K700 PolarHBondContact O-N 3.39Å
701	I	49.5	Very low	67.8	Low	137 Å²	137	91.5 Å²	91.5	70%	0.703	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.7	-9.4	-179.4	-67.2	164.7	0	0	0	111.7	R697 E698 V699	R697-I701 WeakPolarHBondContact O-CD1 3.47Å; R697-I701 VanDerWaalsContact O-CG1 3.29Å; R697-I701 WeakPolarHBondContact O-CG1 3.36Å; R697-I701 PolarHBondContact O-N 3.28Å; E698-I701 PolarHBondContact O-N 3.41Å; V699-I701 PolarHBondContact O-N 3.22Å
702	K	42.2	Very low	66.2	Low	162 Å²	162	85.1 Å²	85.1	70%	0.704	43%	0.433	S	S	*	.			trans	-109.1	18.7	-176.3	-70.8	173.6	179.1	161.9	0	113.6	E698 V699	E698-K702 IonicContact OE2-NZ 3.91Å; V699-K702 PolarHBondContact O-N 3.31Å
703	T	34.9	Very low	64.4	Low	171 Å²	171	91.5 Å²	91.5	100%	1.049	47%	0.466	S	S	*	.			trans	-137.2	0	177.8	55.3	0	0	0	0	109.7

Retrieved 703 of 703 residues in 895.2 ms (Link to these results)

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