A0A077Z0L8_TRITR Loading...

Exostosin 1b

AlphaFold DB , UniProt , Accession A0A077Z0L8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 654 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	26	Very low	28.5	Very low	253 Å²	253	163.8 Å²	163.8	100%	1.246	82%	0.823	S	S	*	*				0	133	0	-85.6	-174.2	-99.1	0	0	108.2
2	L	23.9	Very low	28.7	Very low	158 Å²	158	165.7 Å²	165.7	83%	0.827	83%	0.827	S	S	*	*			trans	-102.2	161.6	-145.3	-100.8	158.3	0	0	0	112.9
3	W	27.1	Very low	28.6	Very low	227 Å²	227	161.5 Å²	161.5	86%	0.86	82%	0.823	S	S	*	*			trans	91.7	122.3	157.8	-75.2	30.9	0	0	0	119.3
4	Y	25.1	Very low	28.7	Very low	211 Å²	211	156.9 Å²	156.9	83%	0.827	82%	0.822	S	S	*	*			cis	95	144.9	38.2	-113.8	-87.7	0	0	0	115.8
5	S	29.6	Very low	28.5	Very low	97 Å²	97	157.7 Å²	157.7	68%	0.678	83%	0.827	S	S	*	*			trans	92.7	116.1	162.8	-163.2	0	0	0	0	116.6
6	Q	27.6	Very low	28.5	Very low	152 Å²	152	158.3 Å²	158.3	71%	0.71	82%	0.824	S	S	*	*			cis	96.4	137.2	33.7	-153.8	-179.7	-6.9	0	0	113.1
7	L	29.8	Very low	28.2	Very low	157 Å²	157	154.9 Å²	154.9	82%	0.822	83%	0.825	S	S	*	*			trans	89.4	142.1	168.2	-56.5	166	0	0	0	116.5
8	S	32	Very low	28.1	Very low	110 Å²	110	153.5 Å²	153.5	77%	0.769	82%	0.818	S	S	*	*			cis	-157.7	169.1	-1.5	58.9	0	0	0	0	110.3
9	K	28.4	Very low	27.9	Very low	182 Å²	182	152.5 Å²	152.5	79%	0.791	82%	0.818	S	S	*	*			trans	-58.3	147.4	171.5	-63.3	168.9	171.6	179.6	0	112.1
10	D	34.2	Very low	27.7	Very low	159 Å²	159	147.7 Å²	147.7	85%	0.85	80%	0.8	S	S	*	*				-172.5	159.3	108.7	-83.5	-22.3	0	0	0	111.8
11	S	29.6	Very low	27.7	Very low	96 Å²	96	145.5 Å²	145.5	67%	0.671	79%	0.787	S	S	*	*			trans	-70.1	150.6	-164.7	52.1	0	0	0	0	115.9
12	E	31	Very low	27.7	Very low	186 Å²	186	139.4 Å²	139.4	87%	0.869	76%	0.764	S	S	*	*				162.7	156.8	104.8	-109.9	167.7	-170.5	0	0	111.9
13	S	27.3	Very low	28.3	Very low	111 Å²	111	139 Å²	139	78%	0.776	75%	0.752	S	S	*	*			trans	-57.8	140.1	-167.6	51.9	0	0	0	0	117.1
14	A	30	Very low	28.4	Very low	98 Å²	98	131.7 Å²	131.7	81%	0.81	73%	0.733	S	S	*	*			trans	-163.1	125.6	135.3	0	0	0	0	0	110.1	E16	A14-E16 PolarHBondContact O-N 3.38Å
15	D	25.4	Very low	28.6	Very low	168 Å²	168	125.4 Å²	125.4	90%	0.898	73%	0.725	S	S	*	*			trans	-57.4	118.6	170.2	-72.1	-57.6	0	0	0	111.2
16	E	28.7	Very low	28.7	Very low	167 Å²	167	126.1 Å²	126.1	78%	0.78	73%	0.728	S	S	*	*			trans	-157.4	118.8	153.6	-113.6	175.5	-155.3	0	0	110.1	A14 N18	A14-E16 PolarHBondContact O-N 3.38Å; E16-N18 PolarHBondContact O-N 2.97Å
17	A	24.7	Very low	28.8	Very low	102 Å²	102	123 Å²	123	84%	0.843	72%	0.715	S	S	*	*			trans	-69.7	73.7	-177.9	0	0	0	0	0	111.6
18	N	25.7	Very low	28.7	Very low	129 Å²	129	124.9 Å²	124.9	69%	0.69	72%	0.717	S	S	*	*			trans	-89.3	104	168.6	-78.2	-48.3	0	0	0	109.2	E16 A20	E16-N18 PolarHBondContact O-N 2.97Å; N18-A20 PolarHBondContact O-N 3.26Å
19	V	24.2	Very low	28.5	Very low	134 Å²	134	129.4 Å²	129.4	81%	0.812	72%	0.717	S	S	*	*			trans	-70.3	70.9	169.1	-176	0	0	0	0	108.7	I21	V19-I21 HydrophobicContact CG1-CG1 4.27Å; V19-I21 PolarHBondContact O-N 3.15Å
20	A	24.1	Very low	28.5	Very low	57 Å²	57	125.7 Å²	125.7	47%	0.471	71%	0.709	S	S	.	*			trans	-77.6	102.6	164.4	0	0	0	0	0	107.3	N18 T22	N18-A20 PolarHBondContact O-N 3.26Å; A20-T22 HydrophobicContact CB-CG2 4.48Å; A20-T22 PolarHBondContact O-N 3.42Å
21	I	26.8	Very low	28.1	Very low	102 Å²	102	125.1 Å²	125.1	52%	0.523	70%	0.701	S	S	.	*			trans	-68.7	81.5	168.5	-55.1	175.9	0	0	0	107.2	V19 W23	V19-I21 HydrophobicContact CG1-CG1 4.27Å; V19-I21 PolarHBondContact O-N 3.15Å; I21-W23 HydrophobicContact CG2-CD2 3.88Å; I21-W23 HydrophobicContact CG2-CE3 4.26Å; I21-W23 HydrophobicContact CG2-CG 4.46Å; I21-W23 HydrophobicContact CG2-CH2 3.99Å; I21-W23 HydrophobicContact CG2-CZ2 3.58Å; I21-W23 HydrophobicContact CG2-CZ3 4.31Å; I21-W23 PolarHBondContact O-N 3.47Å
22	T	27.7	Very low	28.1	Very low	125 Å²	125	127.6 Å²	127.6	77%	0.767	70%	0.697	S	S	*	*			trans	-74.3	100.4	168.3	43	0	0	0	0	107.3	A20	A20-T22 HydrophobicContact CB-CG2 4.48Å; A20-T22 PolarHBondContact O-N 3.42Å
23	W	36.5	Very low	27.8	Very low	149 Å²	149	127.8 Å²	127.8	56%	0.564	70%	0.695	S	S	*	*			trans	-63.4	133.7	175.7	-63.6	102.5	0	0	0	109.3	I21 A25	I21-W23 HydrophobicContact CG2-CD2 3.88Å; I21-W23 HydrophobicContact CG2-CE3 4.26Å; I21-W23 HydrophobicContact CG2-CG 4.46Å; I21-W23 HydrophobicContact CG2-CH2 3.99Å; I21-W23 HydrophobicContact CG2-CZ2 3.58Å; I21-W23 HydrophobicContact CG2-CZ3 4.31Å; I21-W23 PolarHBondContact O-N 3.47Å; W23-A25 PolarHBondContact O-N 3.46Å
24	P	28.2	Very low	28	Very low	73 Å²	73	128.6 Å²	128.6	47%	0.474	69%	0.691	S	S	.	*			trans	-65.7	132.8	-173.5	-4.8	17	0	0	0	109.4	R382	P24-R382 HydrophobicContact CG-CG 4.47Å
25	A	30.2	Very low	27.9	Very low	80 Å²	80	127.9 Å²	127.9	66%	0.661	68%	0.684	S	S	*	*			trans	-44.8	150	158.1	0	0	0	0	0	110.2	W23 I27	W23-A25 PolarHBondContact O-N 3.46Å; A25-I27 PolarHBondContact O-N 2.79Å; A25-I27 VanDerWaalsContact O-N 3.08Å
26	P	31.3	Very low	28.1	Very low	112 Å²	112	130.3 Å²	130.3	73%	0.727	68%	0.682	S	S	*	*	P	Polyproline II helix	trans	-48.4	121.6	-177.1	18.6	-32.1	0	0	0	110.8	K28	P26-K28 PolarHBondContact O-N 3.39Å; P26-K28 VanDerWaalsContact O-N 3.08Å
27	I	30	Very low	28.2	Very low	86 Å²	86	128.3 Å²	128.3	44%	0.441	68%	0.677	S	S	.	*	P	Polyproline II helix	trans	-55	118.2	179.9	-61.2	-175.6	0	0	0	107.8	A25 R29 L349	A25-I27 PolarHBondContact O-N 2.79Å; A25-I27 VanDerWaalsContact O-N 3.08Å; I27-R29 PolarHBondContact O-N 2.91Å; I27-L349 HydrophobicContact CB-CD2 4.11Å; I27-L349 HydrophobicContact CD1-CD2 3.69Å; I27-L349 HydrophobicContact CG1-CD2 4.09Å
28	K	27.1	Very low	28.4	Very low	197 Å²	197	134.7 Å²	134.7	86%	0.857	68%	0.679	S	S	*	*	P	Polyproline II helix	trans	-55.1	118.4	165.7	-82.2	-174.9	178.7	177.9	0	107	P26 V30	P26-K28 PolarHBondContact O-N 3.39Å; P26-K28 VanDerWaalsContact O-N 3.08Å; K28-V30 PolarHBondContact O-N 3.01Å
29	R	27.2	Very low	28.5	Very low	204 Å²	204	135.7 Å²	135.7	77%	0.77	68%	0.684	S	S	*	*			trans	-34.4	110.6	178.1	-152	-178.8	-158.9	-176.8	4	110.3	I27 Q31	I27-R29 PolarHBondContact O-N 2.91Å; R29-Q31 PolarHBondContact O-N 3.26Å
30	V	28.4	Very low	28.6	Very low	105 Å²	105	139 Å²	139	64%	0.636	69%	0.688	S	S	*	*			trans	-68.3	93.5	165.8	179.6	0	0	0	0	105.7	K28 Y32	K28-V30 PolarHBondContact O-N 3.01Å; V30-Y32 HydrophobicContact CG1-CD2 4.48Å; V30-Y32 HydrophobicContact CG1-CE2 4.31Å; V30-Y32 PolarHBondContact O-N 3.07Å
31	Q	25.1	Very low	28.7	Very low	146 Å²	146	143 Å²	143	68%	0.682	71%	0.707	S	S	*	*			trans	-67.3	102	169.7	-83.8	-174.4	-23.7	0	0	107.4	R29 K33	R29-Q31 PolarHBondContact O-N 3.26Å; Q31-K33 VanDerWaalsContact C-N 3.32Å; Q31-K33 PolarHBondContact O-N 3.42Å
32	Y	30	Very low	28.9	Very low	149 Å²	149	146.6 Å²	146.6	58%	0.584	72%	0.719	S	S	*	*			trans	-62.3	102.1	155.2	-75.6	-87.9	0	0	0	106.9	V30 N34	V30-Y32 HydrophobicContact CG1-CD2 4.48Å; V30-Y32 HydrophobicContact CG1-CE2 4.31Å; V30-Y32 PolarHBondContact O-N 3.07Å; Y32-N34 PolarHBondContact O-N 3.5Å
33	K	25.5	Very low	28.9	Very low	189 Å²	189	149.8 Å²	149.8	82%	0.822	72%	0.722	S	S	*	*			trans	-64.1	82.5	164.4	-88.1	-175.6	173.4	179.2	0	107.9	Q31 A35	Q31-K33 VanDerWaalsContact C-N 3.32Å; Q31-K33 PolarHBondContact O-N 3.42Å; K33-A35 PolarHBondContact O-N 3.22Å
34	N	30.8	Very low	28.6	Very low	129 Å²	129	148 Å²	148	69%	0.69	72%	0.724	S	S	*	*			trans	-75.8	78.1	161.3	-84.1	-12.6	0	0	0	108	Y32 Y36	Y32-N34 PolarHBondContact O-N 3.5Å; N34-Y36 PolarHBondContact O-N 3.37Å
35	A	28.6	Very low	28.6	Very low	82 Å²	82	150.4 Å²	150.4	68%	0.678	74%	0.737	S	S	*	*			trans	-78.8	12.8	176.3	0	0	0	0	0	113.8	K33	K33-A35 PolarHBondContact O-N 3.22Å
36	Y	29.6	Very low	28.8	Very low	219 Å²	219	151.3 Å²	151.3	86%	0.859	74%	0.735	S	S	*	*			trans	-126.4	43.7	-173	-76.7	-82.4	0	0	0	114.2	N34	N34-Y36 PolarHBondContact O-N 3.37Å
37	L	30.4	Very low	28.7	Very low	126 Å²	126	152.2 Å²	152.2	66%	0.66	74%	0.744	S	S	*	*			trans	-121.7	21.8	174	-76.9	171.7	0	0	0	114.3
38	R	28.1	Very low	29	Very low	235 Å²	235	156.5 Å²	156.5	89%	0.887	75%	0.754	S	S	*	*	S	Bend	trans	-111.6	122.5	168.6	-67.8	-176.5	179.1	-176.7	-1	108.1
39	N	28	Very low	29.1	Very low	151 Å²	151	152.5 Å²	152.5	81%	0.807	75%	0.748	S	S	*	*	S	Bend	trans	90.1	55.4	175.7	-54.1	-7.5	0	0	0	118.3
40	F	26.5	Very low	29.3	Very low	203 Å²	203	154.3 Å²	154.3	89%	0.89	76%	0.755	S	S	*	*			trans	-131.6	98.5	156.5	-88.8	-83.5	0	0	0	111.2
41	T	27.6	Very low	29.9	Very low	141 Å²	141	153.2 Å²	153.2	87%	0.865	75%	0.749	S	S	*	*			trans	-73.3	118.6	160.9	41.2	0	0	0	0	108.7	K43	T41-K43 PolarHBondContact O-N 2.98Å
42	F	29.8	Very low	30.5	Very low	178 Å²	178	150.4 Å²	150.4	78%	0.781	75%	0.751	S	S	*	*			trans	-77.6	116.1	177.9	-153.9	-98	0	0	0	109.2	D44	F42-D44 HydrophobicContact CD1-CB 4.15Å; F42-D44 PolarHBondContact O-N 3.16Å
43	K	29.1	Very low	31.5	Very low	191 Å²	191	148.1 Å²	148.1	83%	0.83	75%	0.745	S	S	*	*			trans	-77.6	104.1	157.5	-89.4	-175.4	175.1	-179.9	0	106.6	T41 T45	T41-K43 PolarHBondContact O-N 2.98Å; K43-T45 PolarHBondContact O-N 3.06Å; K43-T45 VanDerWaalsContact O-N 3.14Å
44	D	29.7	Very low	33.1	Very low	111 Å²	111	149.2 Å²	149.2	59%	0.594	74%	0.744	S	S	*	*			trans	-72.9	95.8	178.8	-160.9	12.8	0	0	0	109.3	F42	F42-D44 HydrophobicContact CD1-CB 4.15Å; F42-D44 PolarHBondContact O-N 3.16Å
45	T	27.7	Very low	34.6	Very low	124 Å²	124	148.8 Å²	148.8	76%	0.761	74%	0.741	S	S	*	*			trans	-113.2	64.2	174.4	55.1	0	0	0	0	110.1	K43	K43-T45 PolarHBondContact O-N 3.06Å; K43-T45 VanDerWaalsContact O-N 3.14Å
46	T	34.4	Very low	36.7	Very low	99 Å²	99	146.7 Å²	146.7	61%	0.607	72%	0.719	S	S	*	*	S	Bend	trans	-153.7	126.9	146.3	43.4	0	0	0	0	107.7	R48	T46-R48 VanDerWaalsContact C-N 3.28Å; T46-R48 PolarHBondContact O-N 3.42Å
47	S	30.4	Very low	39	Very low	131 Å²	131	144 Å²	144	92%	0.916	71%	0.712	S	S	*	*			trans	-63.5	77.5	-179.6	42	0	0	0	0	112.1
48	R	35.8	Very low	41.7	Very low	176 Å²	176	143.9 Å²	143.9	66%	0.664	72%	0.718	S	S	*	*			trans	-82.4	131.6	162	-71.1	-173.8	179.3	-175	2.5	108.2	T46 R50 E251	T46-R48 VanDerWaalsContact C-N 3.28Å; T46-R48 PolarHBondContact O-N 3.42Å; R48-R50 PolarHBondContact O-N 2.69Å; R48-R50 VanDerWaalsContact O-N 3.1Å; R48-E251 IonicContact NH2-OE2 2.64Å
49	P	28.8	Very low	44.6	Very low	113 Å²	113	133.5 Å²	133.5	73%	0.734	68%	0.681	S	S	*	*			trans	-58.3	124.1	171	1.9	6.6	0	0	0	107.2	V51	P49-V51 PolarHBondContact O-N 3.25Å
50	R	31.6	Very low	47.8	Very low	242 Å²	242	128.2 Å²	128.2	91%	0.913	66%	0.656	S	S	*	*			trans	-65.8	79.2	168.8	-73.9	-176.4	-177.8	-179.5	2.1	107.9	R48 A52	R48-R50 PolarHBondContact O-N 2.69Å; R48-R50 VanDerWaalsContact O-N 3.1Å; R50-A52 PolarHBondContact O-N 2.89Å; R50-A52 VanDerWaalsContact O-N 3.1Å
51	V	41	Very low	51	Low	82 Å²	82	119.2 Å²	119.2	50%	0.497	62%	0.617	S	S	.	*			trans	-65.1	111.7	162.5	-178	0	0	0	0	104.8	P49 Q53	P49-V51 PolarHBondContact O-N 3.25Å; V51-Q53 VanDerWaalsContact C-N 3.28Å; V51-Q53 PolarHBondContact O-N 2.89Å
52	A	38.1	Very low	54.1	Low	88 Å²	88	118.6 Å²	118.6	73%	0.727	61%	0.608	S	S	*	*			trans	-56.6	96.6	172	0	0	0	0	0	107.7	R50 R54	R50-A52 PolarHBondContact O-N 2.89Å; R50-A52 VanDerWaalsContact O-N 3.1Å; A52-R54 PolarHBondContact O-N 3.23Å
53	Q	50.8	Low	57.1	Low	101 Å²	101	114.3 Å²	114.3	47%	0.472	60%	0.597	S	S	.	*			trans	-61.1	111.1	178.1	-74.6	-179.9	-14.4	0	0	106.6	V51 L55	V51-Q53 VanDerWaalsContact C-N 3.28Å; V51-Q53 PolarHBondContact O-N 2.89Å; Q53-L55 PolarHBondContact O-N 3.11Å
54	R	57.9	Low	60.3	Low	212 Å²	212	105.6 Å²	105.6	80%	0.8	56%	0.56	S	S	*	*			trans	-62	102	176	-78.2	-179.3	172.8	176.7	-1.3	107.6	A52 L56 A173	A52-R54 PolarHBondContact O-N 3.23Å; R54-L56 PolarHBondContact O-N 3.21Å; R54-A173 WeakPolarHBondContact O-CB 3.3Å
55	L	63.9	Low	63.5	Low	119 Å²	119	101 Å²	101	62%	0.623	54%	0.535	S	S	*	.	P	Polyproline II helix	trans	-66.8	132.1	171.6	-67	173.5	0	0	0	107.7	Q53	Q53-L55 PolarHBondContact O-N 3.11Å
56	L	71.5	Confident	66.7	Low	39 Å²	39	97.6 Å²	97.6	20%	0.204	51%	0.512	C	S	.	.	P	Polyproline II helix	trans	-58.6	143.8	169.1	-67.7	171.5	0	0	0	108.6	R54 P179 L184	R54-L56 PolarHBondContact O-N 3.21Å; L56-P179 HydrophobicContact CD2-CG 4.4Å; L56-L184 HydrophobicContact CD1-CD1 3.7Å
57	K	78.4	Confident	69.5	Low	163 Å²	163	96.9 Å²	96.9	71%	0.709	50%	0.499	S	S	*	.	P	Polyproline II helix	trans	-56.2	137.4	174.1	-68.1	-178.1	-179.3	176.7	0	109.3	C59 R195	K57-C59 PolarHBondContact O-N 2.97Å; K57-R195 WeakPolarHBondContact O-CD 3.46Å
58	P	86.1	Confident	72.5	Confident	123 Å²	123	93.7 Å²	93.7	80%	0.799	48%	0.476	S	S	*	.	P	Polyproline II helix	trans	-60.4	128	178.4	25.1	-32.8	0	0	0	109.4
59	C	90.3	Very high	75.1	Confident	17 Å²	17	90.9 Å²	90.9	12%	0.115	47%	0.466	C	S	.	.			trans	-134	141.1	174.1	-81.8	0	0	0	0	109.8	K57 C64 Y198	K57-C59 PolarHBondContact O-N 2.97Å; C59-C64 WeakPolarHBondContact CA-SG 3.49Å; C59-C64 HydrophobicContact CB-CB 3.5Å; C59-C64 WeakPolarHBondContact CB-SG 3.13Å; C59-C64 WeakPolarHBondContact SG-CB 3.39Å; C59-C64 CovalentContact SG-SG 2.04Å; C59-C64 PolarHBondContact SG-SG 3.1Å; C59-Y198 HydrophobicContact CB-CD1 3.71Å; C59-Y198 HydrophobicContact CB-CD2 4.4Å; C59-Y198 HydrophobicContact CB-CE1 3.65Å; C59-Y198 HydrophobicContact CB-CE2 4.34Å; C59-Y198 HydrophobicContact CB-CG 4.08Å
60	S	94	Very high	78.1	Confident	39 Å²	39	85.6 Å²	85.6	27%	0.273	43%	0.432	S	S	.	.			trans	-123.9	168	166.3	67	0	0	0	0	109.1	D62 T63 C64 Y198	S60-D62 PolarHBondContact O-N 2.99Å; S60-D62 PolarHBondContact OG-N 3.47Å; S60-T63 PolarHBondContact N-OG1 2.86Å; S60-T63 PolarHBondContact O-N 2.88Å; S60-T63 PolarHBondContact O-OG1 2.82Å; S60-T63 WeakPolarHBondContact OG-CG2 3.36Å; S60-T63 PolarHBondContact OG-N 3.39Å; S60-T63 PolarHBondContact OG-OG1 2.79Å; S60-C64 PolarHBondContact O-N 3.45Å; S60-Y198 WeakPolarHBondContact O-CE2 3.17Å
61	M	94.4	Very high	80.7	Confident	14 Å²	14	84 Å²	84	7%	0.069	43%	0.425	C	S	.	.	H	α-helix	trans	-58.1	-32.4	173.5	-64.8	-63.5	-62.1	0	0	111	T63 F65 Y67 I183 Y198 R412 I413	M61-T63 PolarHBondContact O-N 3.29Å; M61-F65 HydrophobicContact CE-CB 4.08Å; M61-F65 HydrophobicContact CE-CD1 3.72Å; M61-F65 HydrophobicContact CE-CD2 3.98Å; M61-F65 HydrophobicContact CE-CE1 4.11Å; M61-F65 HydrophobicContact CE-CE2 4.33Å; M61-F65 HydrophobicContact CE-CG 3.65Å; M61-F65 HydrophobicContact CE-CZ 4.4Å; M61-F65 VanDerWaalsContact O-CB 3.23Å; M61-F65 WeakPolarHBondContact O-CB 3.37Å; M61-F65 PolarHBondContact O-N 2.86Å; M61-F65 HydrophobicContact SD-CB 4.45Å; M61-F65 HydrophobicContact SD-CG 4.48Å; M61-Y67 VanDerWaalsContact CB-OH 3.23Å; M61-Y67 WeakPolarHBondContact CB-OH 3.25Å; M61-Y67 WeakPolarHBondContact O-CE2 3.31Å; M61-I183 HydrophobicContact SD-CD1 4.49Å; M61-Y198 HydrophobicContact CG-CD2 4.29Å; M61-Y198 HydrophobicContact SD-CD2 3.8Å; M61-Y198 HydrophobicContact SD-CE2 4.08Å; M61-R412 HydrophobicContact CE-CB 4.06Å; M61-R412 HydrophobicContact CG-CB 4.33Å; M61-R412 HydrophobicContact SD-CB 4.33Å; M61-I413 HydrophobicContact CE-CG1 4.2Å
62	D	92.6	Very high	82.7	Confident	129 Å²	129	88 Å²	88	69%	0.69	44%	0.436	S	S	*	.	H	α-helix	trans	-77.8	-19.5	-178.7	-44.8	-66.4	0	0	0	114.4	S60	S60-D62 PolarHBondContact O-N 2.99Å; S60-D62 PolarHBondContact OG-N 3.47Å
63	T	93.9	Very high	84.5	Confident	87 Å²	87	89.8 Å²	89.8	53%	0.534	42%	0.424	S	S	.	.	H	α-helix	trans	-110.7	-28.5	-171.5	51.6	0	0	0	0	113.8	S60 M61 K181	S60-T63 PolarHBondContact N-OG1 2.86Å; S60-T63 PolarHBondContact O-N 2.88Å; S60-T63 PolarHBondContact O-OG1 2.82Å; S60-T63 WeakPolarHBondContact OG-CG2 3.36Å; S60-T63 PolarHBondContact OG-N 3.39Å; S60-T63 PolarHBondContact OG-OG1 2.79Å; M61-T63 PolarHBondContact O-N 3.29Å; T63-K181 PolarHBondContact O-NZ 3.22Å
64	C	95.5	Very high	86.1	Confident	9 Å²	9	87.7 Å²	87.7	6%	0.061	42%	0.419	C	S	.	.	H	α-helix	trans	-121	-5.1	-172.9	-66.9	0	0	0	0	114.4	C59 S60 K181 Y198	C59-C64 WeakPolarHBondContact CA-SG 3.49Å; C59-C64 HydrophobicContact CB-CB 3.5Å; C59-C64 WeakPolarHBondContact CB-SG 3.13Å; C59-C64 WeakPolarHBondContact SG-CB 3.39Å; C59-C64 CovalentContact SG-SG 2.04Å; C59-C64 PolarHBondContact SG-SG 3.1Å; S60-C64 PolarHBondContact O-N 3.45Å; C64-K181 HydrophobicContact CB-CB 4.01Å; C64-K181 HydrophobicContact CB-CD 4.14Å; C64-K181 HydrophobicContact CB-CG 4.03Å; C64-Y198 HydrophobicContact CB-CE1 4.36Å; C64-Y198 HydrophobicContact CB-CE2 3.89Å; C64-Y198 WeakPolarHBondContact CB-OH 3.34Å; C64-Y198 PolarHBondContact O-OH 2.69Å
65	F	95.9	Very high	87.7	Confident	14 Å²	14	77.7 Å²	77.7	6%	0.061	38%	0.382	C	S	.	.			trans	-115.5	139.8	-179.4	-166.8	-94.9	0	0	0	111.6	M61 Y67 I118 N156 I183 Y198 I413	M61-F65 HydrophobicContact CE-CB 4.08Å; M61-F65 HydrophobicContact CE-CD1 3.72Å; M61-F65 HydrophobicContact CE-CD2 3.98Å; M61-F65 HydrophobicContact CE-CE1 4.11Å; M61-F65 HydrophobicContact CE-CE2 4.33Å; M61-F65 HydrophobicContact CE-CG 3.65Å; M61-F65 HydrophobicContact CE-CZ 4.4Å; M61-F65 VanDerWaalsContact O-CB 3.23Å; M61-F65 WeakPolarHBondContact O-CB 3.37Å; M61-F65 PolarHBondContact O-N 2.86Å; M61-F65 HydrophobicContact SD-CB 4.45Å; M61-F65 HydrophobicContact SD-CG 4.48Å; F65-Y67 HydrophobicContact CD1-CD1 4.2Å; F65-Y67 HydrophobicContact CD1-CD2 4.42Å; F65-Y67 HydrophobicContact CD1-CE1 4.34Å; F65-Y67 HydrophobicContact CD1-CG 4.26Å; F65-Y67 HydrophobicContact CE1-CD1 4.36Å; F65-I118 HydrophobicContact CE2-CD1 3.48Å; F65-I118 VanDerWaalsContact CE2-CD1 3.48Å; F65-I118 HydrophobicContact CZ-CD1 3.73Å; F65-N156 HydrophobicContact CE2-CB 4.43Å; F65-I183 HydrophobicContact CD2-CD1 4.02Å; F65-I183 HydrophobicContact CE2-CD1 4.09Å; F65-Y198 HydrophobicContact CB-CE2 4.3Å; F65-I413 HydrophobicContact CE1-CD1 4.05Å; F65-I413 HydrophobicContact CE1-CG1 3.82Å; F65-I413 HydrophobicContact CZ-CD1 3.72Å; F65-I413 HydrophobicContact CZ-CG1 3.94Å
66	D	94.6	Very high	89.1	Confident	53 Å²	53	75.7 Å²	75.7	28%	0.283	37%	0.366	S	S	.	.			trans	-102.2	105.2	176.7	175.2	13.7	0	0	0	110.6	S68 V155 N156	D66-S68 VanDerWaalsContact C-N 3.27Å; D66-S68 PolarHBondContact O-N 3.26Å; D66-S68 WeakPolarHBondContact OD1-CB 3.1Å; D66-S68 PolarHBondContact OD1-N 2.88Å; D66-S68 PolarHBondContact OD1-OG 2.89Å; D66-S68 PolarHBondContact OD2-OG 3.24Å; D66-V155 HydrophobicContact CB-CG1 3.67Å; D66-N156 WeakPolarHBondContact CA-OD1 3.45Å; D66-N156 WeakPolarHBondContact CB-OD1 3.48Å; D66-N156 PolarHBondContact N-OD1 3.48Å; D66-N156 PolarHBondContact O-ND2 2.97Å; D66-N156 PolarHBondContact O-OD1 3.14Å
67	Y	94.5	Very high	90.4	Very high	83 Å²	83	73.8 Å²	73.8	33%	0.325	36%	0.356	S	S	.	.	G	3₁₀ helix	trans	-70.9	-17.6	178.8	-64.9	-89.1	0	0	0	113.7	M61 F65 R69 C70 I413	M61-Y67 VanDerWaalsContact CB-OH 3.23Å; M61-Y67 WeakPolarHBondContact CB-OH 3.25Å; M61-Y67 WeakPolarHBondContact O-CE2 3.31Å; F65-Y67 HydrophobicContact CD1-CD1 4.2Å; F65-Y67 HydrophobicContact CD1-CD2 4.42Å; F65-Y67 HydrophobicContact CD1-CE1 4.34Å; F65-Y67 HydrophobicContact CD1-CG 4.26Å; F65-Y67 HydrophobicContact CE1-CD1 4.36Å; Y67-R69 PolarHBondContact O-N 3.15Å; Y67-C70 PolarHBondContact O-N 3.09Å; Y67-I413 HydrophobicContact CD1-CG2 4.34Å
68	S	92.7	Very high	91.2	Very high	64 Å²	64	67.5 Å²	67.5	45%	0.448	33%	0.328	S	S	.	.	G	3₁₀ helix	trans	-60.4	-33.7	-173.7	72.2	0	0	0	0	112.5	D66 C70	D66-S68 VanDerWaalsContact C-N 3.27Å; D66-S68 PolarHBondContact O-N 3.26Å; D66-S68 WeakPolarHBondContact OD1-CB 3.1Å; D66-S68 PolarHBondContact OD1-N 2.88Å; D66-S68 PolarHBondContact OD1-OG 2.89Å; D66-S68 PolarHBondContact OD2-OG 3.24Å; S68-C70 VanDerWaalsContact C-N 3.29Å; S68-C70 PolarHBondContact O-N 2.57Å
69	R	90.5	Very high	91.8	Very high	118 Å²	118	62.1 Å²	62.1	45%	0.445	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-75	-14.6	176.9	-65.4	-178	170.2	-97.7	-0.1	114.2	Y67	Y67-R69 PolarHBondContact O-N 3.15Å
70	C	92.9	Very high	91.9	Very high	2 Å²	2	61.6 Å²	61.6	1%	0.014	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-111.1	13.6	-167.3	-48.4	0	0	0	0	113.1	Y67 S68 C117 I413 W414	Y67-C70 PolarHBondContact O-N 3.09Å; S68-C70 VanDerWaalsContact C-N 3.29Å; S68-C70 PolarHBondContact O-N 2.57Å; C70-C117 HydrophobicContact CB-CB 3.8Å; C70-C117 WeakPolarHBondContact CB-SG 3.5Å; C70-C117 WeakPolarHBondContact SG-CB 3.5Å; C70-C117 CovalentContact SG-SG 2.02Å; C70-C117 PolarHBondContact SG-SG 2.86Å; C70-I413 HydrophobicContact CB-CD1 4.35Å; C70-I413 HydrophobicContact CB-CG2 3.63Å; C70-W414 PolarHBondContact O-NE1 3.07Å; C70-W414 VanDerWaalsContact O-NE1 3.13Å
71	R	85	Confident	91.7	Very high	207 Å²	207	63.3 Å²	63.3	78%	0.781	30%	0.298	S	S	*	.			trans	-70.9	-32.2	179.3	-66.2	-177.4	179.6	175.3	1.1	113.1
72	K	82.4	Confident	91.2	Very high	167 Å²	167	67.7 Å²	67.7	73%	0.726	31%	0.314	S	S	*	.	S	Bend	trans	-79.3	142	-179.3	-66.6	-175	179.7	-178.8	0	110.7
73	R	77.5	Confident	90.2	Very high	125 Å²	125	64.3 Å²	64.3	47%	0.472	30%	0.298	S	S	.	.	S	Bend	trans	-101.2	147.4	171.5	-59	-171	-174	-173	3.5	110.7	W414 E417	R73-W414 HydrophobicContact CB-CH2 4.21Å; R73-W414 HydrophobicContact CG-CH2 3.76Å; R73-W414 HydrophobicContact CG-CZ2 3.9Å; R73-W414 HydrophobicContact CG-CZ3 4.28Å; R73-E417 IonicContact CZ-OE1 2.75Å; R73-E417 IonicContact CZ-OE2 3.4Å; R73-E417 IonicContact NH1-OE1 3.05Å; R73-E417 PolarHBondContact NH1-OE1 3.32Å; R73-E417 IonicContact NH1-OE2 3.21Å; R73-E417 PolarHBondContact NH1-OE2 2.83Å; R73-E417 VanDerWaalsContact NH2-CD 3.32Å; R73-E417 IonicContact NH2-OE1 3.25Å; R73-E417 PolarHBondContact NH2-OE1 2.74Å; R73-E417 IonicContact NH2-OE2 3.77Å; R73-E417 PolarHBondContact NH2-OE2 3.29Å
74	P	82.7	Confident	88.8	Confident	58 Å²	58	64.7 Å²	64.7	38%	0.377	30%	0.297	S	S	.	.	S	Bend	cis	-74.6	171.9	-8.7	33.3	-36.4	0	0	0	112.3	R76	P74-R76 WeakPolarHBondContact O-CG 3.43Å; P74-R76 PolarHBondContact O-N 3.23Å
75	L	91.5	Very high	87.1	Confident	1 Å²	1	69.5 Å²	69.5	1%	0.005	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-59.4	128.7	174.1	173.9	70.6	0	0	0	108.5	F108 C117 I118 Q410 I413 W414	L75-F108 HydrophobicContact CB-CD1 3.92Å; L75-F108 HydrophobicContact CB-CE1 4.18Å; L75-F108 HydrophobicContact CD2-CD1 4.01Å; L75-F108 HydrophobicContact CD2-CE1 4.12Å; L75-F108 HydrophobicContact CG-CD1 4.13Å; L75-F108 WeakPolarHBondContact O-CA 3.4Å; L75-F108 WeakPolarHBondContact O-CD1 3.29Å; L75-C117 HydrophobicContact CD1-CB 3.58Å; L75-C117 WeakPolarHBondContact CD1-SG 3.4Å; L75-I118 HydrophobicContact CD1-CG1 4.4Å; L75-Q410 HydrophobicContact CB-CG 4.44Å; L75-Q410 HydrophobicContact CD2-CB 3.87Å; L75-Q410 HydrophobicContact CD2-CG 4.44Å; L75-I413 HydrophobicContact CD1-CD1 3.7Å; L75-W414 HydrophobicContact CB-CH2 4.02Å; L75-W414 VanDerWaalsContact N-CH2 3.32Å
76	R	95.1	Very high	85.4	Confident	77 Å²	77	72.1 Å²	72.1	29%	0.291	34%	0.34	S	S	.	.			trans	-114.1	139.6	-179.9	-60.8	-56.2	-169.1	121.3	10.8	112.5	P74 F108 Y109 T110 E115 C117 I118	P74-R76 WeakPolarHBondContact O-CG 3.43Å; P74-R76 PolarHBondContact O-N 3.23Å; R76-F108 CarbonylContact C-O 3.5Å; R76-F108 WeakPolarHBondContact CA-O 3.47Å; R76-Y109 PolarHBondContact NH1-O 3.1Å; R76-T110 HydrophobicContact CB-CG2 3.81Å; R76-T110 HydrophobicContact CG-CG2 4.47Å; R76-E115 VanDerWaalsContact CB-O 3.27Å; R76-E115 WeakPolarHBondContact CB-O 3.43Å; R76-E115 HydrophobicContact CG-CB 4.43Å; R76-C117 PolarHBondContact O-N 3.16Å; R76-I118 PolarHBondContact O-N 3.34Å; R76-I118 VanDerWaalsContact O-N 3.13Å
77	V	97.2	Very high	83.7	Confident	0 Å²	0	72.7 Å²	72.7	0%	0	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	127.4	-177.9	-178.4	0	0	0	0	108.5	I103 F108 Y109 T110 I118 I120 L406	V77-I103 HydrophobicContact CB-CG2 4.24Å; V77-I103 HydrophobicContact CG1-CG2 3.75Å; V77-F108 HydrophobicContact CB-CB 4.34Å; V77-F108 HydrophobicContact CG2-CB 3.75Å; V77-F108 PolarHBondContact N-O 2.89Å; V77-Y109 WeakPolarHBondContact O-CA 3.32Å; V77-T110 PolarHBondContact O-N 2.97Å; V77-I118 CarbonylContact C-O 3.02Å; V77-I118 WeakPolarHBondContact CA-O 3.42Å; V77-I118 HydrophobicContact CG1-CB 4.49Å; V77-I118 HydrophobicContact CG1-CG2 4.43Å; V77-I118 HydrophobicContact CG2-CB 4.15Å; V77-I120 HydrophobicContact CG1-CD1 4.24Å; V77-I120 HydrophobicContact CG1-CG1 3.55Å; V77-L406 HydrophobicContact CG2-CD1 4.29Å; V77-L406 HydrophobicContact CG2-CD2 3.74Å
78	Y	96.9	Very high	82.2	Confident	31 Å²	31	74.6 Å²	74.6	12%	0.122	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	137.4	176	176.5	-97.5	0	0	0	110.6	Y80 P81 K111 P113 A116 I118 F119 I120	Y78-Y80 AromaticContact CE1-CD1 3.88Å; Y78-Y80 HydrophobicContact CE1-CD1 3.88Å; Y78-Y80 HydrophobicContact CE1-CE1 4.32Å; Y78-Y80 HydrophobicContact CE1-CG 4.27Å; Y78-P81 WeakPolarHBondContact OH-CD 3.25Å; Y78-K111 WeakPolarHBondContact CE2-O 3.28Å; Y78-P113 HydrophobicContact CD1-CB 4.18Å; Y78-P113 HydrophobicContact CD2-CB 4.14Å; Y78-P113 HydrophobicContact CE1-CB 4.1Å; Y78-P113 HydrophobicContact CE2-CB 4.09Å; Y78-P113 HydrophobicContact CE2-CG 4.3Å; Y78-P113 HydrophobicContact CG-CB 4.17Å; Y78-A116 VanDerWaalsContact CB-CB 3.41Å; Y78-I118 PolarHBondContact N-O 3.27Å; Y78-F119 AromaticContact CD1-CD1 3.76Å; Y78-F119 HydrophobicContact CD1-CD1 3.76Å; Y78-F119 AromaticContact CD1-CE1 3.98Å; Y78-F119 HydrophobicContact CD1-CE1 3.98Å; Y78-F119 HydrophobicContact CG-CD1 4.44Å; Y78-F119 HydrophobicContact CG-CE1 4.44Å; Y78-F119 CarbonylContact O-C 3.36Å; Y78-F119 WeakPolarHBondContact O-CA 3.48Å; Y78-I120 PolarHBondContact O-N 3.18Å
79	I	96.8	Very high	81.4	Confident	9 Å²	9	75.9 Å²	75.9	5%	0.046	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	125.4	173.9	-54.9	169.7	0	0	0	106.3	L100 I103 R104 Y109 I120	I79-L100 HydrophobicContact CD1-CB 4.45Å; I79-L100 HydrophobicContact CD1-CD2 4.29Å; I79-L100 HydrophobicContact CG2-CD2 3.99Å; I79-I103 HydrophobicContact CD1-CB 4.02Å; I79-I103 HydrophobicContact CD1-CG2 3.84Å; I79-I103 HydrophobicContact CG1-CG2 4.09Å; I79-R104 HydrophobicContact CD1-CG 3.71Å; I79-Y109 HydrophobicContact CD1-CD2 4.38Å; I79-Y109 HydrophobicContact CD1-CE2 4.24Å; I79-Y109 HydrophobicContact CG1-CE2 4.35Å; I79-I120 HydrophobicContact CG1-CB 4.16Å
80	Y	94.1	Very high	81	Confident	7 Å²	7	72.4 Å²	72.4	3%	0.027	38%	0.377	C	S	.	.			trans	-58.7	149.9	175.5	-70.6	-77.8	0	0	0	111.1	Y78 F119 I120 L121 P122 V146 M150 H157	Y78-Y80 AromaticContact CE1-CD1 3.88Å; Y78-Y80 HydrophobicContact CE1-CD1 3.88Å; Y78-Y80 HydrophobicContact CE1-CE1 4.32Å; Y78-Y80 HydrophobicContact CE1-CG 4.27Å; Y80-F119 HydrophobicContact CE1-CD1 4.44Å; Y80-F119 HydrophobicContact CE2-CB 3.93Å; Y80-F119 HydrophobicContact CE2-CD1 4.32Å; Y80-F119 AromaticContact CZ-CD1 3.91Å; Y80-I120 VanDerWaalsContact CD2-O 3.23Å; Y80-I120 WeakPolarHBondContact CD2-O 3.31Å; Y80-I120 PolarHBondContact N-O 2.86Å; Y80-I120 VanDerWaalsContact N-O 3.09Å; Y80-L121 HydrophobicContact CD2-CD2 4.31Å; Y80-L121 HydrophobicContact CE2-CD2 4.37Å; Y80-P122 WeakPolarHBondContact O-CB 3.04Å; Y80-V146 HydrophobicContact CD1-CB 4.28Å; Y80-V146 HydrophobicContact CD1-CG1 4.45Å; Y80-V146 HydrophobicContact CE1-CB 4.05Å; Y80-M150 HydrophobicContact CE1-CB 4.07Å; Y80-M150 HydrophobicContact CE1-SD 3.78Å; Y80-M150 WeakPolarHBondContact OH-CB 3.25Å; Y80-H157 AromaticContact CE2-CD2 3.88Å; Y80-H157 AromaticContact CE2-NE2 3.47Å; Y80-H157 WeakPolarHBondContact CE2-NE2 3.36Å; Y80-H157 AromaticContact CZ-NE2 3.59Å; Y80-H157 PolarHBondContact OH-NE2 3.23Å
81	P	89.9	Confident	80.8	Confident	74 Å²	74	74.6 Å²	74.6	48%	0.481	39%	0.392	S	S	.	.			trans	-68	150.1	170	29.3	-34	0	0	0	110	Y78 T83	Y78-P81 WeakPolarHBondContact OH-CD 3.25Å; P81-T83 PolarHBondContact O-N 3.49Å
82	R	82.5	Confident	81	Confident	107 Å²	107	66.1 Å²	66.1	40%	0.404	36%	0.364	S	S	.	.			trans	-73.6	115.4	169.1	-76.1	-177.3	177.6	167.5	8.7	108.9	E97 P122	R82-E97 IonicContact CZ-OE1 2.81Å; R82-E97 IonicContact CZ-OE2 2.76Å; R82-E97 IonicContact NH1-OE1 3.13Å; R82-E97 PolarHBondContact NH1-OE1 2.86Å; R82-E97 IonicContact NH1-OE2 3.73Å; R82-E97 VanDerWaalsContact NH2-CD 3.32Å; R82-E97 IonicContact NH2-OE1 3.21Å; R82-E97 PolarHBondContact NH2-OE1 2.71Å; R82-E97 IonicContact NH2-OE2 3.53Å; R82-E97 PolarHBondContact NH2-OE2 3.29Å; R82-P122 HydrophobicContact CG-CB 3.8Å; R82-P122 PolarHBondContact NE-O 3.41Å; R82-P122 PolarHBondContact NH2-O 3.29Å
83	T	71.7	Confident	81.6	Confident	57 Å²	57	58.7 Å²	58.7	35%	0.35	33%	0.333	S	S	.	.			trans	-97.5	111.5	169.9	54.8	0	0	0	0	108.5	P81 M85	P81-T83 PolarHBondContact O-N 3.49Å; T83-M85 PolarHBondContact O-N 3.31Å; T83-M85 VanDerWaalsContact O-N 3.09Å
84	N	65.3	Low	82.3	Confident	96 Å²	96	57.4 Å²	57.4	51%	0.513	33%	0.332	S	S	.	.			trans	-78.4	90.1	172.3	-68.3	-1.7	0	0	0	108.2	S86	N84-S86 PolarHBondContact O-N 3.09Å
85	M	58.9	Low	82.9	Confident	110 Å²	110	55 Å²	55	54%	0.542	32%	0.317	S	S	.	.	S	Bend	trans	-72	-19.8	176.2	-70.8	-166.1	-74.3	0	0	112.8	T83 K142 S145	T83-M85 PolarHBondContact O-N 3.31Å; T83-M85 VanDerWaalsContact O-N 3.09Å; M85-K142 HydrophobicContact CE-CG 4.22Å; M85-S145 VanDerWaalsContact CE-CB 3.46Å; M85-S145 VanDerWaalsContact CE-OG 3.3Å; M85-S145 WeakPolarHBondContact CE-OG 3.42Å; M85-S145 WeakPolarHBondContact SD-CB 3.43Å
86	S	60.1	Low	83.2	Confident	69 Å²	69	55.1 Å²	55.1	48%	0.483	32%	0.317	S	S	.	.	S	Bend	trans	-116.5	7.2	-170.5	39.9	0	0	0	0	114.5	N84 D88	N84-S86 PolarHBondContact O-N 3.09Å; S86-D88 PolarHBondContact O-N 2.72Å
87	G	59.5	Low	83.2	Confident	65 Å²	65	54.2 Å²	54.2	67%	0.67	32%	0.316	S	S	*	.	S	Bend	trans	73.1	-32.8	-176	0	0	0	0	0	114.4
88	D	63.7	Low	83.1	Confident	123 Å²	123	55.3 Å²	55.3	66%	0.658	32%	0.321	S	S	*	.	S	Bend	trans	-78.6	142.5	176.5	-64.6	-35.2	0	0	0	112.6	S86 E90	S86-D88 PolarHBondContact O-N 2.72Å; D88-E90 PolarHBondContact O-N 3.49Å
89	A	75.6	Confident	83.1	Confident	91 Å²	91	53.9 Å²	53.9	75%	0.752	32%	0.316	S	S	*	.	P	Polyproline II helix	trans	-68.8	120.8	172.7	0	0	0	0	0	109.9
90	E	81.6	Confident	83.1	Confident	44 Å²	44	53.5 Å²	53.5	21%	0.206	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-63.7	141.3	176.7	-67.3	-67.9	156.5	0	0	111.4	D88 S92 K142	D88-E90 PolarHBondContact O-N 3.49Å; E90-S92 PolarHBondContact O-N 3.45Å; E90-K142 IonicContact OE1-NZ 3.92Å; E90-K142 PolarHBondContact OE1-NZ 2.96Å; E90-K142 VanDerWaalsContact OE2-CE 3.31Å; E90-K142 WeakPolarHBondContact OE2-CE 3.46Å; E90-K142 IonicContact OE2-NZ 2.94Å; E90-K142 PolarHBondContact OE2-NZ 3.06Å; E90-K142 VanDerWaalsContact OE2-NZ 3.13Å
91	P	88	Confident	83.1	Confident	49 Å²	49	56.5 Å²	56.5	32%	0.318	33%	0.328	S	S	.	.	P	Polyproline II helix	trans	-66.2	137.6	179.3	29.5	-35.2	0	0	0	110.3	V136	P91-V136 HydrophobicContact CG-CG2 4.45Å
92	S	90.7	Very high	83.3	Confident	29 Å²	29	53.3 Å²	53.3	20%	0.203	31%	0.307	C	S	.	.			trans	-144.1	132.4	178.9	-173.4	0	0	0	0	109.8	E90 E97	E90-S92 PolarHBondContact O-N 3.45Å; S92-E97 WeakPolarHBondContact CB-OE1 3.42Å; S92-E97 PolarHBondContact OG-OE1 3.3Å
93	S	93.6	Very high	83.9	Confident	11 Å²	11	48.2 Å²	48.2	8%	0.077	29%	0.288	C	S	.	.			trans	-76.6	149.5	177.3	67.5	0	0	0	0	111.4	S95 Y96 E97 D124	S93-S95 PolarHBondContact O-N 2.91Å; S93-Y96 PolarHBondContact O-N 2.72Å; S93-Y96 PolarHBondContact OG-N 3.45Å; S93-E97 PolarHBondContact O-N 3.45Å; S93-D124 WeakPolarHBondContact CA-OD2 3.35Å; S93-D124 WeakPolarHBondContact CB-OD2 3.26Å; S93-D124 PolarHBondContact N-OD2 3.35Å; S93-D124 PolarHBondContact OG-OD2 3.29Å
94	E	93.9	Very high	84.9	Confident	98 Å²	98	49.6 Å²	49.6	46%	0.458	29%	0.287	S	S	.	.	H	α-helix	trans	-54.1	-37.3	172.7	-168.4	-167.4	158.3	0	0	111.4	Y96 E97 K98	E94-Y96 PolarHBondContact O-N 3.47Å; E94-E97 PolarHBondContact O-N 3.06Å; E94-K98 HydrophobicContact CG-CD 4.49Å; E94-K98 WeakPolarHBondContact O-CB 3.25Å; E94-K98 VanDerWaalsContact O-CG 3.26Å; E94-K98 WeakPolarHBondContact O-CG 3.47Å; E94-K98 PolarHBondContact O-N 3.44Å; E94-K98 WeakPolarHBondContact OE1-CE 3.12Å; E94-K98 IonicContact OE1-NZ 3.94Å; E94-K98 PolarHBondContact OE1-NZ 3.39Å
95	S	95.2	Very high	86	Confident	7 Å²	7	48.2 Å²	48.2	5%	0.049	28%	0.28	C	S	.	.	H	α-helix	trans	-60.6	-42.7	175.5	-65	0	0	0	0	112.9	S93 K98 I99 Q207	S93-S95 PolarHBondContact O-N 2.91Å; S95-K98 PolarHBondContact O-N 2.95Å; S95-I99 WeakPolarHBondContact O-CG1 3.44Å; S95-I99 PolarHBondContact O-N 3.18Å; S95-I99 VanDerWaalsContact O-N 3.1Å; S95-Q207 WeakPolarHBondContact OG-CA 3.45Å
96	Y	96.1	Very high	87.4	Confident	3 Å²	3	44.2 Å²	44.2	1%	0.012	26%	0.262	C	S	.	.	H	α-helix	trans	-72.9	-39.4	-179.6	-167.7	-111.2	0	0	0	111.8	S93 E94 K98 I99 L100 L121 W123 D124 L126	S93-Y96 PolarHBondContact O-N 2.72Å; S93-Y96 PolarHBondContact OG-N 3.45Å; E94-Y96 PolarHBondContact O-N 3.47Å; Y96-K98 VanDerWaalsContact C-N 3.28Å; Y96-K98 PolarHBondContact O-N 3.02Å; Y96-I99 HydrophobicContact CD2-CD1 4.43Å; Y96-I99 WeakPolarHBondContact O-CB 2.88Å; Y96-I99 PolarHBondContact O-N 2.99Å; Y96-I99 VanDerWaalsContact O-N 3.08Å; Y96-L100 HydrophobicContact CD1-CD1 4.04Å; Y96-L100 HydrophobicContact CD1-CG 4.21Å; Y96-L100 HydrophobicContact CE1-CD1 3.74Å; Y96-L100 HydrophobicContact CE1-CD2 4.12Å; Y96-L100 HydrophobicContact CE1-CG 3.96Å; Y96-L100 PolarHBondContact O-N 2.76Å; Y96-L121 PolarHBondContact OH-O 3.15Å; Y96-W123 VanDerWaalsContact CE1-O 3.3Å; Y96-W123 WeakPolarHBondContact CE1-O 3.25Å; Y96-W123 PolarHBondContact OH-O 3.15Å; Y96-D124 VanDerWaalsContact CB-OD2 3.25Å; Y96-D124 WeakPolarHBondContact CB-OD2 3.43Å; Y96-D124 HydrophobicContact CD1-CB 3.84Å; Y96-D124 HydrophobicContact CE1-CB 4.41Å; Y96-D124 HydrophobicContact CG-CB 4Å; Y96-L126 HydrophobicContact CD2-CD1 4.12Å; Y96-L126 HydrophobicContact CD2-CD2 3.84Å; Y96-L126 HydrophobicContact CD2-CG 3.63Å; Y96-L126 HydrophobicContact CE2-CD2 4.46Å; Y96-L126 HydrophobicContact CG-CD1 4.44Å; Y96-L126 HydrophobicContact CG-CG 4.23Å
97	E	95.5	Very high	88.5	Confident	59 Å²	59	44.8 Å²	44.8	28%	0.276	26%	0.256	S	S	.	.	H	α-helix	trans	-58.4	-42.6	171.7	-65.3	-55.4	156.5	0	0	111.7	R82 S92 S93 E94 I99 L100 Q101	R82-E97 IonicContact CZ-OE1 2.81Å; R82-E97 IonicContact CZ-OE2 2.76Å; R82-E97 IonicContact NH1-OE1 3.13Å; R82-E97 PolarHBondContact NH1-OE1 2.86Å; R82-E97 IonicContact NH1-OE2 3.73Å; R82-E97 VanDerWaalsContact NH2-CD 3.32Å; R82-E97 IonicContact NH2-OE1 3.21Å; R82-E97 PolarHBondContact NH2-OE1 2.71Å; R82-E97 IonicContact NH2-OE2 3.53Å; R82-E97 PolarHBondContact NH2-OE2 3.29Å; S92-E97 WeakPolarHBondContact CB-OE1 3.42Å; S92-E97 PolarHBondContact OG-OE1 3.3Å; S93-E97 PolarHBondContact O-N 3.45Å; E94-E97 PolarHBondContact O-N 3.06Å; E97-I99 VanDerWaalsContact C-N 3.31Å; E97-I99 PolarHBondContact O-N 3.48Å; E97-L100 PolarHBondContact O-N 3.06Å; E97-Q101 VanDerWaalsContact O-CB 3.27Å; E97-Q101 WeakPolarHBondContact O-CB 3.33Å; E97-Q101 PolarHBondContact O-N 3.4Å
98	K	95.7	Very high	90.1	Very high	22 Å²	22	41.8 Å²	41.8	10%	0.096	23%	0.225	C	C	.	.	H	α-helix	trans	-60.1	-40	174.3	-74	171.8	-178.4	167.7	0	112	E94 S95 Y96 Q101 A102 Q207 L209 L211 V398	E94-K98 HydrophobicContact CG-CD 4.49Å; E94-K98 WeakPolarHBondContact O-CB 3.25Å; E94-K98 VanDerWaalsContact O-CG 3.26Å; E94-K98 WeakPolarHBondContact O-CG 3.47Å; E94-K98 PolarHBondContact O-N 3.44Å; E94-K98 WeakPolarHBondContact OE1-CE 3.12Å; E94-K98 IonicContact OE1-NZ 3.94Å; E94-K98 PolarHBondContact OE1-NZ 3.39Å; S95-K98 PolarHBondContact O-N 2.95Å; Y96-K98 VanDerWaalsContact C-N 3.28Å; Y96-K98 PolarHBondContact O-N 3.02Å; K98-Q101 PolarHBondContact O-N 3.01Å; K98-A102 VanDerWaalsContact O-CB 3.25Å; K98-A102 WeakPolarHBondContact O-CB 3.19Å; K98-A102 PolarHBondContact O-N 2.73Å; K98-Q207 PolarHBondContact NZ-O 3.38Å; K98-L209 PolarHBondContact NZ-O 3.17Å; K98-L211 HydrophobicContact CB-CD1 3.89Å; K98-L211 HydrophobicContact CG-CB 4.18Å; K98-L211 HydrophobicContact CG-CD1 4.24Å; K98-L211 WeakPolarHBondContact O-CD1 3.11Å; K98-V398 HydrophobicContact CB-CB 4.1Å; K98-V398 HydrophobicContact CB-CG1 3.91Å; K98-V398 HydrophobicContact CB-CG2 4Å; K98-V398 HydrophobicContact CD-CG2 4.11Å
99	I	97	Very high	91.5	Very high	2 Å²	2	38.7 Å²	38.7	1%	0.01	20%	0.204	C	C	.	.	H	α-helix	trans	-62.5	-50	175.5	-69.6	167.9	0	0	0	110.5	S95 Y96 E97 Q101 A102 I103 L126 F160 F205 V398 V402	S95-I99 WeakPolarHBondContact O-CG1 3.44Å; S95-I99 PolarHBondContact O-N 3.18Å; S95-I99 VanDerWaalsContact O-N 3.1Å; Y96-I99 HydrophobicContact CD2-CD1 4.43Å; Y96-I99 WeakPolarHBondContact O-CB 2.88Å; Y96-I99 PolarHBondContact O-N 2.99Å; Y96-I99 VanDerWaalsContact O-N 3.08Å; E97-I99 VanDerWaalsContact C-N 3.31Å; E97-I99 PolarHBondContact O-N 3.48Å; I99-Q101 VanDerWaalsContact C-N 3.3Å; I99-Q101 PolarHBondContact O-N 3.4Å; I99-A102 PolarHBondContact O-N 2.75Å; I99-I103 HydrophobicContact CG2-CD1 4.09Å; I99-I103 WeakPolarHBondContact O-CG1 3.35Å; I99-I103 PolarHBondContact O-N 2.99Å; I99-L126 HydrophobicContact CD1-CD1 3.94Å; I99-L126 HydrophobicContact CD1-CD2 3.68Å; I99-L126 HydrophobicContact CD1-CG 4.38Å; I99-F160 HydrophobicContact CD1-CB 4.09Å; I99-F160 HydrophobicContact CD1-CD1 4.09Å; I99-F160 HydrophobicContact CD1-CG 4.13Å; I99-F160 HydrophobicContact CG2-CD1 4.27Å; I99-F160 HydrophobicContact CG2-CD2 3.83Å; I99-F160 HydrophobicContact CG2-CE1 4.3Å; I99-F160 HydrophobicContact CG2-CE2 3.87Å; I99-F160 HydrophobicContact CG2-CG 4.04Å; I99-F160 HydrophobicContact CG2-CZ 4.11Å; I99-F205 HydrophobicContact CD1-CZ 4.13Å; I99-F205 HydrophobicContact CG1-CZ 4.41Å; I99-V398 HydrophobicContact CB-CG1 4.43Å; I99-V398 HydrophobicContact CG1-CG1 3.7Å; I99-V402 HydrophobicContact CB-CG2 4.26Å; I99-V402 HydrophobicContact CG1-CG2 4.15Å; I99-V402 HydrophobicContact CG2-CG2 3.93Å
100	L	96.7	Very high	92.5	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.005	17%	0.171	C	C	.	.	H	α-helix	trans	-61.6	-41.4	179.7	-63.9	-175.9	0	0	0	111.4	I79 Y96 E97 I103 R104 I120	I79-L100 HydrophobicContact CD1-CB 4.45Å; I79-L100 HydrophobicContact CD1-CD2 4.29Å; I79-L100 HydrophobicContact CG2-CD2 3.99Å; Y96-L100 HydrophobicContact CD1-CD1 4.04Å; Y96-L100 HydrophobicContact CD1-CG 4.21Å; Y96-L100 HydrophobicContact CE1-CD1 3.74Å; Y96-L100 HydrophobicContact CE1-CD2 4.12Å; Y96-L100 HydrophobicContact CE1-CG 3.96Å; Y96-L100 PolarHBondContact O-N 2.76Å; E97-L100 PolarHBondContact O-N 3.06Å; L100-I103 PolarHBondContact O-N 3.03Å; L100-R104 WeakPolarHBondContact O-CG 3.39Å; L100-R104 PolarHBondContact O-N 3.19Å; L100-I120 HydrophobicContact CD2-CG2 3.89Å
101	Q	93.9	Very high	93.1	Very high	70 Å²	70	40.8 Å²	40.8	33%	0.327	20%	0.196	S	C	.	.	H	α-helix	trans	-64.3	-45.7	176.8	-171.6	57.5	39.2	0	0	111.6	E97 K98 I99 I103 R104 D105 L211	E97-Q101 VanDerWaalsContact O-CB 3.27Å; E97-Q101 WeakPolarHBondContact O-CB 3.33Å; E97-Q101 PolarHBondContact O-N 3.4Å; K98-Q101 PolarHBondContact O-N 3.01Å; I99-Q101 VanDerWaalsContact C-N 3.3Å; I99-Q101 PolarHBondContact O-N 3.4Å; Q101-I103 VanDerWaalsContact C-N 3.25Å; Q101-I103 PolarHBondContact O-N 3.33Å; Q101-R104 PolarHBondContact O-N 3.46Å; Q101-R104 VanDerWaalsContact O-N 3.1Å; Q101-D105 WeakPolarHBondContact CG-OD2 3.35Å; Q101-D105 PolarHBondContact NE2-OD1 3.08Å; Q101-D105 PolarHBondContact NE2-OD2 3.32Å; Q101-D105 WeakPolarHBondContact O-CB 3.43Å; Q101-D105 VanDerWaalsContact O-CG 3.24Å; Q101-D105 PolarHBondContact O-N 3.29Å; Q101-L211 HydrophobicContact CB-CD1 4.27Å; Q101-L211 HydrophobicContact CB-CD2 4.23Å; Q101-L211 HydrophobicContact CG-CD2 3.66Å
102	A	93.7	Very high	93.4	Very high	6 Å²	6	41.2 Å²	41.2	5%	0.05	20%	0.196	C	C	.	.	H	α-helix	trans	-57.1	-38.9	174.8	0	0	0	0	0	112.3	K98 I99 S106 L211 D399 V402	K98-A102 VanDerWaalsContact O-CB 3.25Å; K98-A102 WeakPolarHBondContact O-CB 3.19Å; K98-A102 PolarHBondContact O-N 2.73Å; I99-A102 PolarHBondContact O-N 2.75Å; A102-S106 WeakPolarHBondContact O-CB 3.41Å; A102-S106 PolarHBondContact O-N 2.8Å; A102-L211 HydrophobicContact CB-CD1 4Å; A102-D399 HydrophobicContact CB-CB 4.04Å; A102-V402 HydrophobicContact CB-CB 4.08Å; A102-V402 HydrophobicContact CB-CG1 4.2Å; A102-V402 HydrophobicContact CB-CG2 4.07Å
103	I	95.4	Very high	93.5	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-65.3	-51	174.2	-64.1	167.6	0	0	0	109.9	V77 I79 I99 L100 Q101 D105 S106 Y109 I120 F160 V402	V77-I103 HydrophobicContact CB-CG2 4.24Å; V77-I103 HydrophobicContact CG1-CG2 3.75Å; I79-I103 HydrophobicContact CD1-CB 4.02Å; I79-I103 HydrophobicContact CD1-CG2 3.84Å; I79-I103 HydrophobicContact CG1-CG2 4.09Å; I99-I103 HydrophobicContact CG2-CD1 4.09Å; I99-I103 WeakPolarHBondContact O-CG1 3.35Å; I99-I103 PolarHBondContact O-N 2.99Å; L100-I103 PolarHBondContact O-N 3.03Å; Q101-I103 VanDerWaalsContact C-N 3.25Å; Q101-I103 PolarHBondContact O-N 3.33Å; I103-D105 VanDerWaalsContact C-N 3.25Å; I103-D105 PolarHBondContact O-N 3.38Å; I103-S106 WeakPolarHBondContact O-CB 3.06Å; I103-S106 PolarHBondContact O-N 2.76Å; I103-S106 PolarHBondContact O-OG 3.44Å; I103-Y109 WeakPolarHBondContact O-CB 3.48Å; I103-I120 HydrophobicContact CD1-CD1 4.26Å; I103-I120 HydrophobicContact CD1-CG1 4.06Å; I103-I120 HydrophobicContact CD1-CG2 4.25Å; I103-F160 HydrophobicContact CD1-CE2 4.17Å; I103-V402 HydrophobicContact CD1-CG1 4.4Å; I103-V402 HydrophobicContact CG1-CG1 3.48Å; I103-V402 VanDerWaalsContact CG1-CG1 3.48Å
104	R	93.9	Very high	93.4	Very high	86 Å²	86	49.9 Å²	49.9	33%	0.325	23%	0.232	S	C	.	.	H	α-helix	trans	-56.7	-37.9	-179	-72.1	-179.3	-169	111.1	2.5	113.3	I79 L100 Q101 S106 Y109	I79-R104 HydrophobicContact CD1-CG 3.71Å; L100-R104 WeakPolarHBondContact O-CG 3.39Å; L100-R104 PolarHBondContact O-N 3.19Å; Q101-R104 PolarHBondContact O-N 3.46Å; Q101-R104 VanDerWaalsContact O-N 3.1Å; R104-S106 VanDerWaalsContact C-N 3.31Å; R104-Y109 HydrophobicContact CB-CD1 4.47Å; R104-Y109 HydrophobicContact CG-CD2 4.29Å; R104-Y109 HydrophobicContact CG-CE1 4.44Å; R104-Y109 HydrophobicContact CG-CE2 4.09Å
105	D	87.9	Confident	93.4	Very high	68 Å²	68	49 Å²	49	36%	0.364	23%	0.228	S	C	.	.	H	α-helix	trans	-80.3	-14	-179.6	-63.6	-30.2	0	0	0	113.3	Q101 I103 R212	Q101-D105 WeakPolarHBondContact CG-OD2 3.35Å; Q101-D105 PolarHBondContact NE2-OD1 3.08Å; Q101-D105 PolarHBondContact NE2-OD2 3.32Å; Q101-D105 WeakPolarHBondContact O-CB 3.43Å; Q101-D105 VanDerWaalsContact O-CG 3.24Å; Q101-D105 PolarHBondContact O-N 3.29Å; I103-D105 VanDerWaalsContact C-N 3.25Å; I103-D105 PolarHBondContact O-N 3.38Å; D105-R212 IonicContact OD1-NH2 3.34Å; D105-R212 IonicContact OD2-CZ 2.71Å; D105-R212 IonicContact OD2-NH2 3.04Å; D105-R212 PolarHBondContact OD2-NH2 2.49Å
106	S	87.7	Confident	93.4	Very high	25 Å²	25	48.7 Å²	48.7	18%	0.175	23%	0.226	C	C	.	.	S	Bend	trans	-78.2	161	-178.2	79.4	0	0	0	0	112.8	A102 I103 R104 F108 Y109	A102-S106 WeakPolarHBondContact O-CB 3.41Å; A102-S106 PolarHBondContact O-N 2.8Å; I103-S106 WeakPolarHBondContact O-CB 3.06Å; I103-S106 PolarHBondContact O-N 2.76Å; I103-S106 PolarHBondContact O-OG 3.44Å; R104-S106 VanDerWaalsContact C-N 3.31Å; S106-F108 PolarHBondContact O-N 2.67Å; S106-F108 VanDerWaalsContact O-N 3.11Å; S106-F108 PolarHBondContact OG-N 2.77Å; S106-Y109 PolarHBondContact O-N 3.11Å
107	K	84.2	Confident	93.4	Very high	82 Å²	82	48.7 Å²	48.7	36%	0.357	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-16	170.7	65.1	-179.6	179.3	-179.1	0	114.1	P568	K107-P568 HydrophobicContact CB-CB 4.32Å
108	F	91.3	Very high	93.5	Very high	1 Å²	1	45.9 Å²	45.9	0%	0.004	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-21.3	-177.3	-56.5	-78.5	0	0	0	112.3	L75 R76 V77 S106 D403 L406 Q407	L75-F108 HydrophobicContact CB-CD1 3.92Å; L75-F108 HydrophobicContact CB-CE1 4.18Å; L75-F108 HydrophobicContact CD2-CD1 4.01Å; L75-F108 HydrophobicContact CD2-CE1 4.12Å; L75-F108 HydrophobicContact CG-CD1 4.13Å; L75-F108 WeakPolarHBondContact O-CA 3.4Å; L75-F108 WeakPolarHBondContact O-CD1 3.29Å; R76-F108 CarbonylContact C-O 3.5Å; R76-F108 WeakPolarHBondContact CA-O 3.47Å; V77-F108 HydrophobicContact CB-CB 4.34Å; V77-F108 HydrophobicContact CG2-CB 3.75Å; V77-F108 PolarHBondContact N-O 2.89Å; S106-F108 PolarHBondContact O-N 2.67Å; S106-F108 VanDerWaalsContact O-N 3.11Å; S106-F108 PolarHBondContact OG-N 2.77Å; F108-D403 WeakPolarHBondContact CE2-OD1 3.39Å; F108-L406 HydrophobicContact CB-CD1 3.97Å; F108-L406 HydrophobicContact CD2-CB 3.9Å; F108-L406 HydrophobicContact CD2-CD1 3.47Å; F108-L406 VanDerWaalsContact CD2-CD1 3.47Å; F108-L406 HydrophobicContact CD2-CG 4.33Å; F108-L406 HydrophobicContact CE1-CB 4.41Å; F108-L406 HydrophobicContact CE2-CB 3.79Å; F108-L406 HydrophobicContact CE2-CD1 4.15Å; F108-L406 HydrophobicContact CG-CB 4.26Å; F108-L406 HydrophobicContact CG-CD1 3.85Å; F108-L406 HydrophobicContact CZ-CB 4.06Å; F108-Q407 HydrophobicContact CZ-CG 4.13Å
109	Y	94.9	Very high	93.6	Very high	58 Å²	58	45.1 Å²	45.1	23%	0.227	21%	0.21	C	C	.	.	B	Isolated β-bridge	trans	-66.2	142.4	-174.1	-179.5	-118.2	0	0	0	113.4	R76 V77 I79 I103 R104 S106 K111	R76-Y109 PolarHBondContact NH1-O 3.1Å; V77-Y109 WeakPolarHBondContact O-CA 3.32Å; I79-Y109 HydrophobicContact CD1-CD2 4.38Å; I79-Y109 HydrophobicContact CD1-CE2 4.24Å; I79-Y109 HydrophobicContact CG1-CE2 4.35Å; I103-Y109 WeakPolarHBondContact O-CB 3.48Å; R104-Y109 HydrophobicContact CB-CD1 4.47Å; R104-Y109 HydrophobicContact CG-CD2 4.29Å; R104-Y109 HydrophobicContact CG-CE1 4.44Å; R104-Y109 HydrophobicContact CG-CE2 4.09Å; S106-Y109 PolarHBondContact O-N 3.11Å; Y109-K111 HydrophobicContact CE1-CG 3.82Å
110	T	94.8	Very high	93.6	Very high	9 Å²	9	45.1 Å²	45.1	6%	0.055	21%	0.21	C	C	.	.			trans	-136.3	145.4	164.1	-173.4	0	0	0	0	110.5	R76 V77 N112 E115 A116	R76-T110 HydrophobicContact CB-CG2 3.81Å; R76-T110 HydrophobicContact CG-CG2 4.47Å; V77-T110 PolarHBondContact O-N 2.97Å; T110-N112 VanDerWaalsContact C-N 3.32Å; T110-N112 VanDerWaalsContact CG2-O 3.29Å; T110-N112 WeakPolarHBondContact CG2-O 3.48Å; T110-N112 PolarHBondContact OG1-N 3.33Å; T110-N112 VanDerWaalsContact OG1-N 3.12Å; T110-E115 HydrophobicContact CG2-CB 4.23Å; T110-E115 PolarHBondContact OG1-OE2 3.34Å; T110-A116 HydrophobicContact CG2-CB 4Å
111	K	94.4	Very high	93.5	Very high	170 Å²	170	45.2 Å²	45.2	74%	0.739	21%	0.21	S	C	*	.	S	Bend	trans	-81.3	-16.4	169.3	-66.7	-176.2	178.3	-176.2	0	112.1	Y78 Y109 P113	Y78-K111 WeakPolarHBondContact CE2-O 3.28Å; Y109-K111 HydrophobicContact CE1-CG 3.82Å; K111-P113 WeakPolarHBondContact O-CD 3.33Å
112	N	94.3	Very high	93.4	Very high	59 Å²	59	41.9 Å²	41.9	32%	0.316	20%	0.195	S	C	.	.			trans	-98.8	111.8	-174.8	-176.6	-0.2	0	0	0	110.7	T110 K114 E115	T110-N112 VanDerWaalsContact C-N 3.32Å; T110-N112 VanDerWaalsContact CG2-O 3.29Å; T110-N112 WeakPolarHBondContact CG2-O 3.48Å; T110-N112 PolarHBondContact OG1-N 3.33Å; T110-N112 VanDerWaalsContact OG1-N 3.12Å; N112-K114 PolarHBondContact O-N 2.62Å; N112-K114 VanDerWaalsContact O-N 3.17Å; N112-K114 WeakPolarHBondContact OD1-CB 3.36Å; N112-K114 PolarHBondContact OD1-N 2.97Å; N112-E115 HydrophobicContact CB-CB 4.4Å; N112-E115 HydrophobicContact CB-CG 4.17Å; N112-E115 PolarHBondContact ND2-OE1 3.34Å; N112-E115 PolarHBondContact O-N 3.14Å; N112-E115 VanDerWaalsContact O-N 3.1Å
113	P	93.7	Very high	93.4	Very high	34 Å²	34	42 Å²	42	22%	0.221	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-21.2	-179.6	26.2	-34.4	0	0	0	113.3	Y78 K111 E115 A116 F119	Y78-P113 HydrophobicContact CD1-CB 4.18Å; Y78-P113 HydrophobicContact CD2-CB 4.14Å; Y78-P113 HydrophobicContact CE1-CB 4.1Å; Y78-P113 HydrophobicContact CE2-CB 4.09Å; Y78-P113 HydrophobicContact CE2-CG 4.3Å; Y78-P113 HydrophobicContact CG-CB 4.17Å; K111-P113 WeakPolarHBondContact O-CD 3.33Å; P113-E115 VanDerWaalsContact C-N 3.29Å; P113-E115 PolarHBondContact O-N 3.15Å; P113-A116 PolarHBondContact O-N 3.28Å; P113-F119 HydrophobicContact CB-CE1 4.2Å
114	K	92.3	Very high	93.3	Very high	188 Å²	188	42.1 Å²	42.1	82%	0.817	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-22.6	176.5	-63.6	-177	177.7	179.8	0	113.1	N112	N112-K114 PolarHBondContact O-N 2.62Å; N112-K114 VanDerWaalsContact O-N 3.17Å; N112-K114 WeakPolarHBondContact OD1-CB 3.36Å; N112-K114 PolarHBondContact OD1-N 2.97Å
115	E	93.7	Very high	93.4	Very high	79 Å²	79	38 Å²	38	37%	0.369	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-15.8	175.8	-71	166	-152.2	0	0	112.3	R76 T110 N112 P113	R76-E115 VanDerWaalsContact CB-O 3.27Å; R76-E115 WeakPolarHBondContact CB-O 3.43Å; R76-E115 HydrophobicContact CG-CB 4.43Å; T110-E115 HydrophobicContact CG2-CB 4.23Å; T110-E115 PolarHBondContact OG1-OE2 3.34Å; N112-E115 HydrophobicContact CB-CB 4.4Å; N112-E115 HydrophobicContact CB-CG 4.17Å; N112-E115 PolarHBondContact ND2-OE1 3.34Å; N112-E115 PolarHBondContact O-N 3.14Å; N112-E115 VanDerWaalsContact O-N 3.1Å; P113-E115 VanDerWaalsContact C-N 3.29Å; P113-E115 PolarHBondContact O-N 3.15Å
116	A	95.4	Very high	93.7	Very high	1 Å²	1	35 Å²	35	1%	0.008	16%	0.163	C	C	.	.			trans	-77.9	131.3	-169.9	0	0	0	0	0	112.7	Y78 T110 P113 F119	Y78-A116 VanDerWaalsContact CB-CB 3.41Å; T110-A116 HydrophobicContact CG2-CB 4Å; P113-A116 PolarHBondContact O-N 3.28Å; A116-F119 HydrophobicContact CB-CE1 4.14Å; A116-F119 HydrophobicContact CB-CE2 4.27Å; A116-F119 HydrophobicContact CB-CZ 3.85Å
117	C	96.1	Very high	93.9	Very high	2 Å²	2	34.2 Å²	34.2	1%	0.014	16%	0.158	C	C	.	.	S	Bend	trans	-88.2	-39.7	168.3	164.7	0	0	0	0	111	C70 L75 R76 N156	C70-C117 HydrophobicContact CB-CB 3.8Å; C70-C117 WeakPolarHBondContact CB-SG 3.5Å; C70-C117 WeakPolarHBondContact SG-CB 3.5Å; C70-C117 CovalentContact SG-SG 2.02Å; C70-C117 PolarHBondContact SG-SG 2.86Å; L75-C117 HydrophobicContact CD1-CB 3.58Å; L75-C117 WeakPolarHBondContact CD1-SG 3.4Å; R76-C117 PolarHBondContact O-N 3.16Å; C117-N156 VanDerWaalsContact O-CB 3.28Å; C117-N156 WeakPolarHBondContact O-CB 2.97Å; C117-N156 PolarHBondContact O-ND2 2.91Å
118	I	97.3	Very high	94.1	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	141.4	-177.8	-58.3	-64.4	0	0	0	110.8	F65 L75 R76 V77 Y78 I120 N156 L158 I409	F65-I118 HydrophobicContact CE2-CD1 3.48Å; F65-I118 VanDerWaalsContact CE2-CD1 3.48Å; F65-I118 HydrophobicContact CZ-CD1 3.73Å; L75-I118 HydrophobicContact CD1-CG1 4.4Å; R76-I118 PolarHBondContact O-N 3.34Å; R76-I118 VanDerWaalsContact O-N 3.13Å; V77-I118 CarbonylContact C-O 3.02Å; V77-I118 WeakPolarHBondContact CA-O 3.42Å; V77-I118 HydrophobicContact CG1-CB 4.49Å; V77-I118 HydrophobicContact CG1-CG2 4.43Å; V77-I118 HydrophobicContact CG2-CB 4.15Å; Y78-I118 PolarHBondContact N-O 3.27Å; I118-I120 HydrophobicContact CG2-CD1 4.21Å; I118-N156 CarbonylContact C-O 3.11Å; I118-N156 WeakPolarHBondContact CA-O 3.29Å; I118-L158 HydrophobicContact CG2-CB 3.68Å; I118-I409 HydrophobicContact CD1-CG2 4.08Å; I118-I409 HydrophobicContact CG1-CG2 4.37Å
119	F	97.2	Very high	93.9	Very high	7 Å²	7	31.9 Å²	31.9	3%	0.031	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	137.8	179.7	-65.3	-97	0	0	0	111.5	Y78 Y80 P113 A116 N156 H157 L158	Y78-F119 AromaticContact CD1-CD1 3.76Å; Y78-F119 HydrophobicContact CD1-CD1 3.76Å; Y78-F119 AromaticContact CD1-CE1 3.98Å; Y78-F119 HydrophobicContact CD1-CE1 3.98Å; Y78-F119 HydrophobicContact CG-CD1 4.44Å; Y78-F119 HydrophobicContact CG-CE1 4.44Å; Y78-F119 CarbonylContact O-C 3.36Å; Y78-F119 WeakPolarHBondContact O-CA 3.48Å; Y80-F119 HydrophobicContact CE1-CD1 4.44Å; Y80-F119 HydrophobicContact CE2-CB 3.93Å; Y80-F119 HydrophobicContact CE2-CD1 4.32Å; Y80-F119 AromaticContact CZ-CD1 3.91Å; P113-F119 HydrophobicContact CB-CE1 4.2Å; A116-F119 HydrophobicContact CB-CE1 4.14Å; A116-F119 HydrophobicContact CB-CE2 4.27Å; A116-F119 HydrophobicContact CB-CZ 3.85Å; F119-N156 HydrophobicContact CD2-CB 4.43Å; F119-N156 PolarHBondContact N-O 3.41Å; F119-H157 WeakPolarHBondContact CB-NE2 3.4Å; F119-H157 VanDerWaalsContact O-CA 3.3Å; F119-H157 WeakPolarHBondContact O-CA 3.39Å; F119-L158 PolarHBondContact O-N 3.17Å
120	I	97	Very high	93.5	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.005	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	127.9	-177.6	-53.1	-69.3	0	0	0	108.9	V77 Y78 I79 Y80 L100 I103 I118 L158 F160	V77-I120 HydrophobicContact CG1-CD1 4.24Å; V77-I120 HydrophobicContact CG1-CG1 3.55Å; Y78-I120 PolarHBondContact O-N 3.18Å; I79-I120 HydrophobicContact CG1-CB 4.16Å; Y80-I120 VanDerWaalsContact CD2-O 3.23Å; Y80-I120 WeakPolarHBondContact CD2-O 3.31Å; Y80-I120 PolarHBondContact N-O 2.86Å; Y80-I120 VanDerWaalsContact N-O 3.09Å; L100-I120 HydrophobicContact CD2-CG2 3.89Å; I103-I120 HydrophobicContact CD1-CD1 4.26Å; I103-I120 HydrophobicContact CD1-CG1 4.06Å; I103-I120 HydrophobicContact CD1-CG2 4.25Å; I118-I120 HydrophobicContact CG2-CD1 4.21Å; I120-L158 HydrophobicContact CD1-CB 3.57Å; I120-L158 HydrophobicContact CD1-CD2 3.85Å; I120-L158 HydrophobicContact CD1-CG 3.87Å; I120-L158 WeakPolarHBondContact CD1-O 3.42Å; I120-F160 HydrophobicContact CD1-CE2 4.3Å
121	L	94.4	Very high	93.1	Very high	3 Å²	3	39.4 Å²	39.4	2%	0.016	19%	0.192	C	C	.	.			trans	-62.4	151.4	174.2	-64	177.3	0	0	0	110.7	Y80 Y96 W123 T125 M139 I143 W151 I159	Y80-L121 HydrophobicContact CD2-CD2 4.31Å; Y80-L121 HydrophobicContact CE2-CD2 4.37Å; Y96-L121 PolarHBondContact OH-O 3.15Å; L121-W123 HydrophobicContact CD2-CZ3 4.37Å; L121-T125 HydrophobicContact CD1-CG2 4.43Å; L121-M139 HydrophobicContact CD1-CE 4.01Å; L121-I143 HydrophobicContact CD1-CD1 4.46Å; L121-I143 HydrophobicContact CD1-CG1 4.36Å; L121-I143 HydrophobicContact CD2-CG1 4.45Å; L121-W151 HydrophobicContact CD1-CZ3 4.35Å; L121-W151 HydrophobicContact CD2-CE3 4.33Å; L121-W151 HydrophobicContact CD2-CZ3 4.08Å; L121-W151 HydrophobicContact CG-CZ3 4.41Å; L121-I159 HydrophobicContact CD1-CG1 4.45Å
122	P	92.7	Very high	92.7	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.006	17%	0.165	C	C	.	.	S	Bend	trans	-90.6	-11.6	179.7	33.8	-28.5	0	0	0	113.9	Y80 R82	Y80-P122 WeakPolarHBondContact O-CB 3.04Å; R82-P122 HydrophobicContact CG-CB 3.8Å; R82-P122 PolarHBondContact NE-O 3.41Å; R82-P122 PolarHBondContact NH2-O 3.29Å
123	W	92.9	Very high	92.5	Very high	9 Å²	9	34.6 Å²	34.6	3%	0.034	18%	0.182	C	C	.	.	S	Bend	trans	-97.1	143.7	-175.5	-57.1	-70.4	0	0	0	111.8	Y96 L121 T125 V136 M139 K142 V146	Y96-W123 VanDerWaalsContact CE1-O 3.3Å; Y96-W123 WeakPolarHBondContact CE1-O 3.25Å; Y96-W123 PolarHBondContact OH-O 3.15Å; L121-W123 HydrophobicContact CD2-CZ3 4.37Å; W123-T125 PolarHBondContact O-N 3.39Å; W123-V136 HydrophobicContact CB-CG1 4.21Å; W123-V136 HydrophobicContact CB-CG2 4.44Å; W123-M139 HydrophobicContact CB-CE 4.37Å; W123-M139 HydrophobicContact CB-SD 4.05Å; W123-M139 HydrophobicContact CE3-CE 4.4Å; W123-K142 HydrophobicContact CD2-CB 3.93Å; W123-K142 HydrophobicContact CD2-CD 3.94Å; W123-K142 HydrophobicContact CD2-CG 4.43Å; W123-K142 HydrophobicContact CE3-CB 3.82Å; W123-K142 HydrophobicContact CG-CD 4.01Å; W123-K142 HydrophobicContact CH2-CB 3.71Å; W123-K142 WeakPolarHBondContact CH2-O 3.33Å; W123-K142 HydrophobicContact CZ2-CB 3.76Å; W123-K142 HydrophobicContact CZ2-CG 4.29Å; W123-K142 HydrophobicContact CZ3-CB 3.73Å; W123-K142 WeakPolarHBondContact CZ3-O 3.28Å; W123-V146 HydrophobicContact CH2-CG1 4.04Å; W123-V146 HydrophobicContact CZ3-CG1 4.01Å
124	D	93.9	Very high	92.3	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.005	19%	0.185	C	C	.	.			trans	-64.7	115.4	-177.6	-166.6	-28.1	0	0	0	112.4	S93 Y96 L126 V136	S93-D124 WeakPolarHBondContact CA-OD2 3.35Å; S93-D124 WeakPolarHBondContact CB-OD2 3.26Å; S93-D124 PolarHBondContact N-OD2 3.35Å; S93-D124 PolarHBondContact OG-OD2 3.29Å; Y96-D124 VanDerWaalsContact CB-OD2 3.25Å; Y96-D124 WeakPolarHBondContact CB-OD2 3.43Å; Y96-D124 HydrophobicContact CD1-CB 3.84Å; Y96-D124 HydrophobicContact CE1-CB 4.41Å; Y96-D124 HydrophobicContact CG-CB 4Å; D124-L126 WeakPolarHBondContact OD1-CA 3.48Å; D124-L126 VanDerWaalsContact OD1-CB 3.25Å; D124-L126 WeakPolarHBondContact OD1-CB 3.47Å; D124-L126 WeakPolarHBondContact OD1-CG 2.88Å; D124-L126 PolarHBondContact OD1-N 2.99Å; D124-V136 HydrophobicContact CB-CG2 4.12Å; D124-V136 WeakPolarHBondContact O-CG2 3.48Å
125	T	94.6	Very high	92.2	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.006	16%	0.159	C	C	.	.			trans	-109.2	5.6	175.7	57.5	0	0	0	0	113.2	L121 W123 M139 I159 F160 N161 F177	L121-T125 HydrophobicContact CD1-CG2 4.43Å; W123-T125 PolarHBondContact O-N 3.39Å; T125-M139 HydrophobicContact CG2-CE 3.75Å; T125-I159 HydrophobicContact CG2-CG2 4.2Å; T125-I159 WeakPolarHBondContact OG1-CG2 3.42Å; T125-F160 CarbonylContact C-O 3.53Å; T125-F160 WeakPolarHBondContact CB-O 3.41Å; T125-F160 PolarHBondContact OG1-O 3.44Å; T125-N161 PolarHBondContact O-ND2 3.19Å; T125-F177 HydrophobicContact CG2-CE1 4.11Å; T125-F177 HydrophobicContact CG2-CZ 4.03Å
126	L	94.9	Very high	92.1	Very high	3 Å²	3	26.6 Å²	26.6	2%	0.016	14%	0.141	C	C	.	.	S	Bend	trans	-67	-42.6	-176.2	-60.4	-169.2	0	0	0	112	Y96 I99 D124 F160 N161 L162 Y163	Y96-L126 HydrophobicContact CD2-CD1 4.12Å; Y96-L126 HydrophobicContact CD2-CD2 3.84Å; Y96-L126 HydrophobicContact CD2-CG 3.63Å; Y96-L126 HydrophobicContact CE2-CD2 4.46Å; Y96-L126 HydrophobicContact CG-CD1 4.44Å; Y96-L126 HydrophobicContact CG-CG 4.23Å; I99-L126 HydrophobicContact CD1-CD1 3.94Å; I99-L126 HydrophobicContact CD1-CD2 3.68Å; I99-L126 HydrophobicContact CD1-CG 4.38Å; D124-L126 WeakPolarHBondContact OD1-CA 3.48Å; D124-L126 VanDerWaalsContact OD1-CB 3.25Å; D124-L126 WeakPolarHBondContact OD1-CB 3.47Å; D124-L126 WeakPolarHBondContact OD1-CG 2.88Å; D124-L126 PolarHBondContact OD1-N 2.99Å; L126-F160 HydrophobicContact CD2-CB 3.62Å; L126-N161 PolarHBondContact O-ND2 3.27Å; L126-L162 HydrophobicContact CB-CG 4.47Å; L126-L162 HydrophobicContact CD1-CD1 4.09Å; L126-L162 HydrophobicContact CD2-CG 4.22Å; L126-L162 PolarHBondContact O-N 3.44Å; L126-Y163 PolarHBondContact O-N 3.07Å
127	S	91.5	Very high	91.8	Very high	10 Å²	10	29.3 Å²	29.3	7%	0.07	16%	0.16	C	C	.	.	B	Isolated β-bridge	trans	-112.7	114	179.4	-169.9	0	0	0	0	110.7	S132	S127-S132 WeakPolarHBondContact OG-CB 2.97Å; S127-S132 PolarHBondContact OG-OG 3.4Å; S127-S132 VanDerWaalsContact OG-OG 3.06Å
128	R	89.5	Confident	91.4	Very high	7 Å²	7	35.1 Å²	35.1	3%	0.026	19%	0.191	C	C	.	.			trans	-106.7	20.7	173.2	-55.1	-54.5	-56	161.4	3.2	111.7	Y135 V136 Y163 L175	R128-Y135 PolarHBondContact NH2-OH 3.49Å; R128-V136 PolarHBondContact NH1-O 3.43Å; R128-V136 PolarHBondContact NH2-O 2Å; R128-V136 VanDerWaalsContact NH2-O 3.13Å; R128-Y163 PolarHBondContact N-O 2.95Å; R128-L175 WeakPolarHBondContact CB-O 3.39Å; R128-L175 WeakPolarHBondContact CD-O 3.3Å; R128-L175 HydrophobicContact CG-CB 4.44Å; R128-L175 HydrophobicContact CG-CD2 4.42Å; R128-L175 WeakPolarHBondContact CG-O 3.44Å; R128-L175 PolarHBondContact NE-O 3.38Å
129	D	86.5	Confident	91	Very high	26 Å²	26	35.3 Å²	35.3	14%	0.139	19%	0.192	C	C	.	.			trans	-82.4	117.4	166	-171.2	-23.2	0	0	0	108.3	L131 S132 Y135 T166	D129-L131 PolarHBondContact O-N 2.83Å; D129-L131 WeakPolarHBondContact OD1-CB 3.25Å; D129-L131 PolarHBondContact OD1-N 3.35Å; D129-S132 WeakPolarHBondContact O-CB 3.41Å; D129-S132 PolarHBondContact O-N 2.99Å; D129-Y135 WeakPolarHBondContact O-CD2 3.39Å; D129-T166 PolarHBondContact OD1-OG1 2.89Å
130	N	86.4	Confident	90.6	Very high	97 Å²	97	44.1 Å²	44.1	52%	0.519	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-14.8	-179.7	63.1	-16.8	0	0	0	113.8	S132 Y135 T166	N130-S132 VanDerWaalsContact C-N 3.28Å; N130-Y135 HydrophobicContact CB-CD2 4.49Å; N130-Y135 HydrophobicContact CB-CE2 4.38Å; N130-T166 PolarHBondContact OD1-OG1 3.2Å
131	L	85.8	Confident	90.2	Very high	129 Å²	129	46.6 Å²	46.6	68%	0.675	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-4.6	172.5	-57.1	177.3	0	0	0	112.5	D129	D129-L131 PolarHBondContact O-N 2.83Å; D129-L131 WeakPolarHBondContact OD1-CB 3.25Å; D129-L131 PolarHBondContact OD1-N 3.35Å
132	S	87	Confident	90	Very high	25 Å²	25	47 Å²	47	18%	0.175	25%	0.247	C	C	.	.	S	Bend	trans	-76.1	136	179.4	-170.1	0	0	0	0	110.9	S127 D129 N130 F134 Y135	S127-S132 WeakPolarHBondContact OG-CB 2.97Å; S127-S132 PolarHBondContact OG-OG 3.4Å; S127-S132 VanDerWaalsContact OG-OG 3.06Å; D129-S132 WeakPolarHBondContact O-CB 3.41Å; D129-S132 PolarHBondContact O-N 2.99Å; N130-S132 VanDerWaalsContact C-N 3.28Å; S132-F134 PolarHBondContact O-N 2.96Å; S132-F134 VanDerWaalsContact O-N 3.11Å; S132-Y135 VanDerWaalsContact O-CB 3.29Å; S132-Y135 WeakPolarHBondContact O-CB 3.26Å; S132-Y135 PolarHBondContact O-N 3.47Å; S132-Y135 VanDerWaalsContact O-N 3.08Å
133	P	89.5	Confident	89.9	Confident	102 Å²	102	47.6 Å²	47.6	66%	0.662	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-16.4	173.8	27.5	-35.5	0	0	0	113
134	F	90.3	Very high	89.6	Confident	68 Å²	68	54.8 Å²	54.8	30%	0.298	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.6	12.6	178.7	-49.3	-63.5	0	0	0	112.9	S132 V136	S132-F134 PolarHBondContact O-N 2.96Å; S132-F134 VanDerWaalsContact O-N 3.11Å; F134-V136 PolarHBondContact O-N 2.88Å
135	Y	90.5	Very high	89.3	Confident	66 Å²	66	56.5 Å²	56.5	26%	0.259	29%	0.294	S	S	.	.			trans	-70.3	114.5	179.8	179.5	-98.7	0	0	0	111	R128 D129 N130 S132 S137	R128-Y135 PolarHBondContact NH2-OH 3.49Å; D129-Y135 WeakPolarHBondContact O-CD2 3.39Å; N130-Y135 HydrophobicContact CB-CD2 4.49Å; N130-Y135 HydrophobicContact CB-CE2 4.38Å; S132-Y135 VanDerWaalsContact O-CB 3.29Å; S132-Y135 WeakPolarHBondContact O-CB 3.26Å; S132-Y135 PolarHBondContact O-N 3.47Å; S132-Y135 VanDerWaalsContact O-N 3.08Å; Y135-S137 PolarHBondContact O-N 3.01Å
136	V	90.1	Very high	89	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	30%	0.297	C	S	.	.			trans	-83.3	114.9	171.9	-176	0	0	0	0	110	P91 W123 D124 R128 F134 M139 K142	P91-V136 HydrophobicContact CG-CG2 4.45Å; W123-V136 HydrophobicContact CB-CG1 4.21Å; W123-V136 HydrophobicContact CB-CG2 4.44Å; D124-V136 HydrophobicContact CB-CG2 4.12Å; D124-V136 WeakPolarHBondContact O-CG2 3.48Å; R128-V136 PolarHBondContact NH1-O 3.43Å; R128-V136 PolarHBondContact NH2-O 2Å; R128-V136 VanDerWaalsContact NH2-O 3.13Å; F134-V136 PolarHBondContact O-N 2.88Å; V136-M139 HydrophobicContact CB-SD 4.03Å; V136-M139 HydrophobicContact CG1-CG 4.44Å; V136-M139 HydrophobicContact CG1-SD 3.64Å; V136-K142 HydrophobicContact CG1-CD 3.69Å; V136-K142 VanDerWaalsContact CG1-CE 3.45Å
137	S	89.1	Confident	88.6	Confident	58 Å²	58	59.9 Å²	59.9	41%	0.406	32%	0.316	S	S	.	.			trans	-78.9	165.1	176.8	67.8	0	0	0	0	111.9	Y135 M139 K142	Y135-S137 PolarHBondContact O-N 3.01Å; S137-M139 PolarHBondContact O-N 3.19Å; S137-K142 VanDerWaalsContact O-CE 3.27Å; S137-K142 WeakPolarHBondContact O-CE 3.31Å
138	N	88.1	Confident	88	Confident	124 Å²	124	68.9 Å²	68.9	66%	0.663	36%	0.357	S	S	*	.			trans	51.7	34.9	172.9	-65.4	-23.4	0	0	0	115.5	R140 A141 K142	N138-R140 PolarHBondContact O-N 3.4Å; N138-A141 HydrophobicContact CB-CB 4.42Å; N138-A141 WeakPolarHBondContact O-CB 3.26Å; N138-A141 PolarHBondContact O-N 2.75Å; N138-K142 PolarHBondContact O-N 2.9Å
139	M	90	Very high	87.6	Confident	4 Å²	4	71.5 Å²	71.5	2%	0.02	39%	0.385	C	S	.	.	H	α-helix	trans	-51.3	-33.4	178.6	-78.2	-62.3	-63.7	0	0	113.2	L121 W123 T125 V136 S137 A141 K142 I143 F177	L121-M139 HydrophobicContact CD1-CE 4.01Å; W123-M139 HydrophobicContact CB-CE 4.37Å; W123-M139 HydrophobicContact CB-SD 4.05Å; W123-M139 HydrophobicContact CE3-CE 4.4Å; T125-M139 HydrophobicContact CG2-CE 3.75Å; V136-M139 HydrophobicContact CB-SD 4.03Å; V136-M139 HydrophobicContact CG1-CG 4.44Å; V136-M139 HydrophobicContact CG1-SD 3.64Å; S137-M139 PolarHBondContact O-N 3.19Å; M139-A141 PolarHBondContact O-N 3.22Å; M139-K142 PolarHBondContact O-N 3.15Å; M139-K142 HydrophobicContact SD-CD 4.31Å; M139-I143 HydrophobicContact CE-CD1 4.44Å; M139-I143 WeakPolarHBondContact O-CB 3.19Å; M139-I143 VanDerWaalsContact O-CG1 3.23Å; M139-I143 WeakPolarHBondContact O-CG1 3.43Å; M139-I143 PolarHBondContact O-N 3.19Å; M139-F177 HydrophobicContact CB-CB 3.96Å; M139-F177 HydrophobicContact CB-CD1 3.97Å; M139-F177 HydrophobicContact CB-CG 3.98Å; M139-F177 HydrophobicContact CE-CE1 4.32Å; M139-F177 HydrophobicContact CE-CZ 4.37Å; M139-F177 HydrophobicContact CG-CD1 4.07Å; M139-F177 HydrophobicContact CG-CE1 4.47Å
140	R	88.7	Confident	87.7	Confident	191 Å²	191	73 Å²	73	72%	0.721	39%	0.393	S	S	*	.	H	α-helix	trans	-61.9	-41.1	176.1	-171	177.9	-173.3	178.8	0.8	112.8	N138 K144	N138-R140 PolarHBondContact O-N 3.4Å; R140-K144 WeakPolarHBondContact O-CG 3.16Å; R140-K144 PolarHBondContact O-N 3.39Å; R140-K144 VanDerWaalsContact O-N 3.17Å
141	A	88.8	Confident	88	Confident	53 Å²	53	70.2 Å²	70.2	44%	0.438	38%	0.375	S	S	.	.	H	α-helix	trans	-70.5	-40.2	177.7	0	0	0	0	0	110.9	N138 M139 K144 S145	N138-A141 HydrophobicContact CB-CB 4.42Å; N138-A141 WeakPolarHBondContact O-CB 3.26Å; N138-A141 PolarHBondContact O-N 2.75Å; M139-A141 PolarHBondContact O-N 3.22Å; A141-K144 WeakPolarHBondContact O-CB 3.3Å; A141-K144 PolarHBondContact O-N 2.91Å; A141-S145 PolarHBondContact O-N 3.36Å; A141-S145 VanDerWaalsContact O-N 3.11Å
142	K	89.9	Confident	88.2	Confident	13 Å²	13	68.8 Å²	68.8	6%	0.057	37%	0.368	C	S	.	.	H	α-helix	trans	-63.4	-43.9	175.5	-63.8	-179.6	-176.7	-61.4	0	112.4	M85 E90 W123 V136 S137 N138 M139 K144 S145 V146	M85-K142 HydrophobicContact CE-CG 4.22Å; E90-K142 IonicContact OE1-NZ 3.92Å; E90-K142 PolarHBondContact OE1-NZ 2.96Å; E90-K142 VanDerWaalsContact OE2-CE 3.31Å; E90-K142 WeakPolarHBondContact OE2-CE 3.46Å; E90-K142 IonicContact OE2-NZ 2.94Å; E90-K142 PolarHBondContact OE2-NZ 3.06Å; E90-K142 VanDerWaalsContact OE2-NZ 3.13Å; W123-K142 HydrophobicContact CD2-CB 3.93Å; W123-K142 HydrophobicContact CD2-CD 3.94Å; W123-K142 HydrophobicContact CD2-CG 4.43Å; W123-K142 HydrophobicContact CE3-CB 3.82Å; W123-K142 HydrophobicContact CG-CD 4.01Å; W123-K142 HydrophobicContact CH2-CB 3.71Å; W123-K142 WeakPolarHBondContact CH2-O 3.33Å; W123-K142 HydrophobicContact CZ2-CB 3.76Å; W123-K142 HydrophobicContact CZ2-CG 4.29Å; W123-K142 HydrophobicContact CZ3-CB 3.73Å; W123-K142 WeakPolarHBondContact CZ3-O 3.28Å; V136-K142 HydrophobicContact CG1-CD 3.69Å; V136-K142 VanDerWaalsContact CG1-CE 3.45Å; S137-K142 VanDerWaalsContact O-CE 3.27Å; S137-K142 WeakPolarHBondContact O-CE 3.31Å; N138-K142 PolarHBondContact O-N 2.9Å; M139-K142 PolarHBondContact O-N 3.15Å; M139-K142 HydrophobicContact SD-CD 4.31Å; K142-K144 PolarHBondContact O-N 3.05Å; K142-S145 PolarHBondContact O-N 2.85Å; K142-S145 PolarHBondContact O-OG 2.93Å; K142-V146 PolarHBondContact O-N 2.79Å
143	I	89.8	Confident	88.5	Confident	13 Å²	13	71.7 Å²	71.7	7%	0.067	38%	0.381	C	S	.	.	H	α-helix	trans	-62.5	-35	174.6	-70.1	166.2	0	0	0	110.9	L121 M139 S145 V146 W151 F177	L121-I143 HydrophobicContact CD1-CD1 4.46Å; L121-I143 HydrophobicContact CD1-CG1 4.36Å; L121-I143 HydrophobicContact CD2-CG1 4.45Å; M139-I143 HydrophobicContact CE-CD1 4.44Å; M139-I143 WeakPolarHBondContact O-CB 3.19Å; M139-I143 VanDerWaalsContact O-CG1 3.23Å; M139-I143 WeakPolarHBondContact O-CG1 3.43Å; M139-I143 PolarHBondContact O-N 3.19Å; I143-S145 VanDerWaalsContact C-N 3.25Å; I143-S145 PolarHBondContact O-N 3.35Å; I143-V146 WeakPolarHBondContact O-CG2 3.36Å; I143-V146 PolarHBondContact O-N 3.25Å; I143-W151 HydrophobicContact CD1-CH2 4.49Å; I143-W151 HydrophobicContact CD1-CZ2 4.36Å; I143-W151 HydrophobicContact CG2-CB 4.26Å; I143-W151 HydrophobicContact CG2-CD2 3.46Å; I143-W151 VanDerWaalsContact CG2-CD2 3.46Å; I143-W151 HydrophobicContact CG2-CE3 4.07Å; I143-W151 HydrophobicContact CG2-CG 3.51Å; I143-W151 HydrophobicContact CG2-CZ2 4.23Å; I143-F177 HydrophobicContact CD1-CD2 3.68Å; I143-F177 HydrophobicContact CD1-CE2 3.93Å; I143-F177 HydrophobicContact CD1-CG 4.49Å
144	K	87.5	Confident	88.7	Confident	159 Å²	159	66.8 Å²	66.8	69%	0.691	35%	0.35	S	S	*	.	H	α-helix	trans	-69.4	-20.4	173.7	-74.9	179.1	174.2	-168.1	0	113.7	R140 A141 K142	R140-K144 WeakPolarHBondContact O-CG 3.16Å; R140-K144 PolarHBondContact O-N 3.39Å; R140-K144 VanDerWaalsContact O-N 3.17Å; A141-K144 WeakPolarHBondContact O-CB 3.3Å; A141-K144 PolarHBondContact O-N 2.91Å; K142-K144 PolarHBondContact O-N 3.05Å
145	S	86.9	Confident	89	Confident	38 Å²	38	64.5 Å²	64.5	27%	0.266	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-7.3	178.4	80.5	0	0	0	0	113.8	M85 A141 K142 I143	M85-S145 VanDerWaalsContact CE-CB 3.46Å; M85-S145 VanDerWaalsContact CE-OG 3.3Å; M85-S145 WeakPolarHBondContact CE-OG 3.42Å; M85-S145 WeakPolarHBondContact SD-CB 3.43Å; A141-S145 PolarHBondContact O-N 3.36Å; A141-S145 VanDerWaalsContact O-N 3.11Å; K142-S145 PolarHBondContact O-N 2.85Å; K142-S145 PolarHBondContact O-OG 2.93Å; I143-S145 VanDerWaalsContact C-N 3.25Å; I143-S145 PolarHBondContact O-N 3.35Å
146	V	87.7	Confident	89.3	Confident	13 Å²	13	61.5 Å²	61.5	8%	0.079	33%	0.329	C	S	.	.	S	Bend	trans	-65.6	150.2	169.1	-48.6	0	0	0	0	108.8	Y80 W123 K142 I143 E148 W151	Y80-V146 HydrophobicContact CD1-CB 4.28Å; Y80-V146 HydrophobicContact CD1-CG1 4.45Å; Y80-V146 HydrophobicContact CE1-CB 4.05Å; W123-V146 HydrophobicContact CH2-CG1 4.04Å; W123-V146 HydrophobicContact CZ3-CG1 4.01Å; K142-V146 PolarHBondContact O-N 2.79Å; I143-V146 WeakPolarHBondContact O-CG2 3.36Å; I143-V146 PolarHBondContact O-N 3.25Å; V146-E148 PolarHBondContact O-N 2.86Å; V146-W151 HydrophobicContact CG2-CB 3.8Å
147	P	87.1	Confident	89.6	Confident	62 Å²	62	61.5 Å²	61.5	40%	0.403	33%	0.33	S	S	.	.	P	Polyproline II helix	trans	-51.7	140.6	-175.7	-27.7	34.9	0	0	0	112.7	G149 M150	P147-G149 PolarHBondContact O-N 2.86Å; P147-M150 HydrophobicContact CB-CE 3.45Å; P147-M150 VanDerWaalsContact CB-CE 3.45Å; P147-M150 HydrophobicContact CB-CG 4.09Å; P147-M150 HydrophobicContact CB-SD 3.78Å; P147-M150 HydrophobicContact CG-CE 3.79Å; P147-M150 HydrophobicContact CG-SD 3.91Å; P147-M150 WeakPolarHBondContact O-CB 3.37Å; P147-M150 PolarHBondContact O-N 2.91Å
148	E	79	Confident	90	Very high	199 Å²	199	58.8 Å²	58.8	93%	0.93	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	137.6	-172.2	-168.1	176	-178.6	0	0	112.1	V146 M150	V146-E148 PolarHBondContact O-N 2.86Å; E148-M150 PolarHBondContact O-N 3.49Å; E148-M150 VanDerWaalsContact O-N 3.16Å
149	G	81.5	Confident	90.4	Very high	61 Å²	61	53 Å²	53	63%	0.629	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.1	-12.3	-178.5	0	0	0	0	0	115.6	P147	P147-G149 PolarHBondContact O-N 2.86Å
150	M	88.5	Confident	90.8	Very high	59 Å²	59	53 Å²	53	29%	0.291	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-44	-178.2	-65.2	-167.4	-164.7	0	0	113	Y80 P147 E148 N152 H157	Y80-M150 HydrophobicContact CE1-CB 4.07Å; Y80-M150 HydrophobicContact CE1-SD 3.78Å; Y80-M150 WeakPolarHBondContact OH-CB 3.25Å; P147-M150 HydrophobicContact CB-CE 3.45Å; P147-M150 VanDerWaalsContact CB-CE 3.45Å; P147-M150 HydrophobicContact CB-CG 4.09Å; P147-M150 HydrophobicContact CB-SD 3.78Å; P147-M150 HydrophobicContact CG-CE 3.79Å; P147-M150 HydrophobicContact CG-SD 3.91Å; P147-M150 WeakPolarHBondContact O-CB 3.37Å; P147-M150 PolarHBondContact O-N 2.91Å; E148-M150 PolarHBondContact O-N 3.49Å; E148-M150 VanDerWaalsContact O-N 3.16Å; M150-N152 VanDerWaalsContact C-N 3.28Å; M150-N152 PolarHBondContact O-N 3.41Å; M150-H157 PolarHBondContact O-CE1 3.01Å
151	W	91.6	Very high	91.1	Very high	37 Å²	37	43.9 Å²	43.9	14%	0.14	25%	0.245	C	C	.	.	S	Bend	trans	-58.4	-40.5	179.3	175.8	-119.5	0	0	0	112.4	L121 I143 V146 N153 G154 H157 I159 A182	L121-W151 HydrophobicContact CD1-CZ3 4.35Å; L121-W151 HydrophobicContact CD2-CE3 4.33Å; L121-W151 HydrophobicContact CD2-CZ3 4.08Å; L121-W151 HydrophobicContact CG-CZ3 4.41Å; I143-W151 HydrophobicContact CD1-CH2 4.49Å; I143-W151 HydrophobicContact CD1-CZ2 4.36Å; I143-W151 HydrophobicContact CG2-CB 4.26Å; I143-W151 HydrophobicContact CG2-CD2 3.46Å; I143-W151 VanDerWaalsContact CG2-CD2 3.46Å; I143-W151 HydrophobicContact CG2-CE3 4.07Å; I143-W151 HydrophobicContact CG2-CG 3.51Å; I143-W151 HydrophobicContact CG2-CZ2 4.23Å; V146-W151 HydrophobicContact CG2-CB 3.8Å; W151-N153 VanDerWaalsContact C-N 3.28Å; W151-N153 PolarHBondContact O-N 3.32Å; W151-N153 VanDerWaalsContact O-N 3.12Å; W151-G154 WeakPolarHBondContact O-CA 3.49Å; W151-G154 PolarHBondContact O-N 3.41Å; W151-H157 HydrophobicContact CE3-CB 4.45Å; W151-H157 AromaticContact CE3-CD2 3.34Å; W151-H157 AromaticContact CE3-CE1 3.88Å; W151-H157 AromaticContact CE3-CG 3.65Å; W151-H157 AromaticContact CE3-ND1 3.96Å; W151-H157 AromaticContact CE3-NE2 3.5Å; W151-H157 HydrophobicContact CH2-CB 4.39Å; W151-H157 HydrophobicContact CZ3-CB 3.79Å; W151-H157 AromaticContact CZ3-CD2 3.36Å; W151-H157 WeakPolarHBondContact CZ3-CD2 3.47Å; W151-H157 AromaticContact CZ3-CG 3.47Å; W151-H157 VanDerWaalsContact CZ3-CG 3.47Å; W151-H157 PolarHBondContact O-CE1 3.03Å; W151-H157 VanDerWaalsContact O-CE1 3.3Å; W151-H157 PolarHBondContact O-ND1 2.88Å; W151-I159 HydrophobicContact CH2-CD1 4.21Å; W151-A182 HydrophobicContact CH2-CB 4.26Å
152	N	91.4	Very high	91.4	Very high	100 Å²	100	41.4 Å²	41.4	54%	0.535	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	39.6	52.3	178.9	-167.9	22.1	0	0	0	113.9	M150 G154 V155	M150-N152 VanDerWaalsContact C-N 3.28Å; M150-N152 PolarHBondContact O-N 3.41Å; N152-G154 PolarHBondContact O-N 3.21Å; N152-G154 VanDerWaalsContact O-N 3.14Å; N152-V155 HydrophobicContact CB-CB 4.41Å; N152-V155 WeakPolarHBondContact O-CB 3.24Å; N152-V155 VanDerWaalsContact O-CG2 3.26Å; N152-V155 WeakPolarHBondContact O-CG2 3.39Å; N152-V155 PolarHBondContact O-N 3.16Å; N152-V155 VanDerWaalsContact O-N 3.1Å
153	N	93.1	Very high	91.4	Very high	85 Å²	85	43.2 Å²	43.2	46%	0.455	23%	0.231	S	C	.	.	G	3₁₀ helix	trans	52.7	34.6	-177	-165.7	30.5	0	0	0	114.2	W151 V155 K181	W151-N153 VanDerWaalsContact C-N 3.28Å; W151-N153 PolarHBondContact O-N 3.32Å; W151-N153 VanDerWaalsContact O-N 3.12Å; N153-V155 PolarHBondContact O-N 2.82Å; N153-K181 WeakPolarHBondContact O-CB 3.39Å; N153-K181 PolarHBondContact O-N 3.08Å
154	G	93.9	Very high	91.2	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	81.2	3.3	178.7	0	0	0	0	0	115.3	W151 N152 N156 H157 K181 A182	W151-G154 WeakPolarHBondContact O-CA 3.49Å; W151-G154 PolarHBondContact O-N 3.41Å; N152-G154 PolarHBondContact O-N 3.21Å; N152-G154 VanDerWaalsContact O-N 3.14Å; G154-N156 PolarHBondContact O-N 3.22Å; G154-H157 WeakPolarHBondContact O-CB 3.46Å; G154-H157 PolarHBondContact O-N 3.13Å; G154-H157 VanDerWaalsContact O-N 3.08Å; G154-K181 CarbonylContact O-C 3.51Å; G154-A182 WeakPolarHBondContact O-CA 3.4Å; G154-A182 PolarHBondContact O-N 3.46Å; G154-A182 VanDerWaalsContact O-N 3.12Å
155	V	95.5	Very high	90.9	Very high	19 Å²	19	35 Å²	35	12%	0.115	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57	131.8	176.1	174.5	0	0	0	0	109.3	D66 N152 N153 H157 K181	D66-V155 HydrophobicContact CB-CG1 3.67Å; N152-V155 HydrophobicContact CB-CB 4.41Å; N152-V155 WeakPolarHBondContact O-CB 3.24Å; N152-V155 VanDerWaalsContact O-CG2 3.26Å; N152-V155 WeakPolarHBondContact O-CG2 3.39Å; N152-V155 PolarHBondContact O-N 3.16Å; N152-V155 VanDerWaalsContact O-N 3.1Å; N153-V155 PolarHBondContact O-N 2.82Å; V155-H157 PolarHBondContact O-CE1 3.11Å; V155-H157 PolarHBondContact O-N 3.04Å; V155-H157 VanDerWaalsContact O-N 3.16Å; V155-H157 PolarHBondContact O-ND1 3.11Å; V155-K181 HydrophobicContact CG2-CB 4.07Å; V155-K181 HydrophobicContact CG2-CD 3.52Å; V155-K181 HydrophobicContact CG2-CG 4.39Å
156	N	96.3	Very high	90.5	Very high	3 Å²	3	35.1 Å²	35.1	2%	0.016	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	61	17.2	-178.1	-69.5	41.3	0	0	0	115.6	F65 D66 C117 I118 F119 G154	F65-N156 HydrophobicContact CE2-CB 4.43Å; D66-N156 WeakPolarHBondContact CA-OD1 3.45Å; D66-N156 WeakPolarHBondContact CB-OD1 3.48Å; D66-N156 PolarHBondContact N-OD1 3.48Å; D66-N156 PolarHBondContact O-ND2 2.97Å; D66-N156 PolarHBondContact O-OD1 3.14Å; C117-N156 VanDerWaalsContact O-CB 3.28Å; C117-N156 WeakPolarHBondContact O-CB 2.97Å; C117-N156 PolarHBondContact O-ND2 2.91Å; I118-N156 CarbonylContact C-O 3.11Å; I118-N156 WeakPolarHBondContact CA-O 3.29Å; F119-N156 HydrophobicContact CD2-CB 4.43Å; F119-N156 PolarHBondContact N-O 3.41Å; G154-N156 PolarHBondContact O-N 3.22Å
157	H	97.4	Very high	89.7	Confident	1 Å²	1	41 Å²	41	1%	0.005	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	145.1	173.7	-69.4	67.2	0	0	0	111.5	Y80 F119 M150 W151 G154 V155 A182 I183	Y80-H157 AromaticContact CE2-CD2 3.88Å; Y80-H157 AromaticContact CE2-NE2 3.47Å; Y80-H157 WeakPolarHBondContact CE2-NE2 3.36Å; Y80-H157 AromaticContact CZ-NE2 3.59Å; Y80-H157 PolarHBondContact OH-NE2 3.23Å; F119-H157 WeakPolarHBondContact CB-NE2 3.4Å; F119-H157 VanDerWaalsContact O-CA 3.3Å; F119-H157 WeakPolarHBondContact O-CA 3.39Å; M150-H157 PolarHBondContact O-CE1 3.01Å; W151-H157 HydrophobicContact CE3-CB 4.45Å; W151-H157 AromaticContact CE3-CD2 3.34Å; W151-H157 AromaticContact CE3-CE1 3.88Å; W151-H157 AromaticContact CE3-CG 3.65Å; W151-H157 AromaticContact CE3-ND1 3.96Å; W151-H157 AromaticContact CE3-NE2 3.5Å; W151-H157 HydrophobicContact CH2-CB 4.39Å; W151-H157 HydrophobicContact CZ3-CB 3.79Å; W151-H157 AromaticContact CZ3-CD2 3.36Å; W151-H157 WeakPolarHBondContact CZ3-CD2 3.47Å; W151-H157 AromaticContact CZ3-CG 3.47Å; W151-H157 VanDerWaalsContact CZ3-CG 3.47Å; W151-H157 PolarHBondContact O-CE1 3.03Å; W151-H157 VanDerWaalsContact O-CE1 3.3Å; W151-H157 PolarHBondContact O-ND1 2.88Å; G154-H157 WeakPolarHBondContact O-CB 3.46Å; G154-H157 PolarHBondContact O-N 3.13Å; G154-H157 VanDerWaalsContact O-N 3.08Å; V155-H157 PolarHBondContact O-CE1 3.11Å; V155-H157 PolarHBondContact O-N 3.04Å; V155-H157 VanDerWaalsContact O-N 3.16Å; V155-H157 PolarHBondContact O-ND1 3.11Å; H157-A182 HydrophobicContact CB-CB 3.84Å; H157-A182 CarbonylContact O-C 3.51Å; H157-A182 WeakPolarHBondContact O-CA 3.41Å; H157-I183 PolarHBondContact O-N 2.86Å
158	L	97.9	Very high	88.8	Confident	1 Å²	1	40.9 Å²	40.9	1%	0.005	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	125.2	173.1	170.2	67.6	0	0	0	109.5	I118 F119 I120 F160 I183 A185 V405 L406 I409	I118-L158 HydrophobicContact CG2-CB 3.68Å; F119-L158 PolarHBondContact O-N 3.17Å; I120-L158 HydrophobicContact CD1-CB 3.57Å; I120-L158 HydrophobicContact CD1-CD2 3.85Å; I120-L158 HydrophobicContact CD1-CG 3.87Å; I120-L158 WeakPolarHBondContact CD1-O 3.42Å; L158-F160 HydrophobicContact CD2-CE2 3.75Å; L158-F160 HydrophobicContact CD2-CZ 3.92Å; L158-F160 HydrophobicContact CG-CD2 4.48Å; L158-F160 HydrophobicContact CG-CE2 3.96Å; L158-F160 HydrophobicContact CG-CZ 4.45Å; L158-I183 WeakPolarHBondContact CA-O 3.47Å; L158-I183 HydrophobicContact CD1-CB 4.14Å; L158-I183 HydrophobicContact CD1-CG2 3.7Å; L158-A185 HydrophobicContact CD1-CB 3.78Å; L158-V405 HydrophobicContact CD1-CG1 4.3Å; L158-V405 HydrophobicContact CD2-CG1 3.87Å; L158-L406 HydrophobicContact CD2-CD2 4.08Å; L158-I409 HydrophobicContact CD1-CD1 3.91Å; L158-I409 HydrophobicContact CD2-CD1 3.78Å; L158-I409 HydrophobicContact CG-CD1 4.37Å
159	I	96.9	Very high	88.5	Confident	3 Å²	3	36.2 Å²	36.2	2%	0.015	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	127	-178.7	-59.9	173.9	0	0	0	109.2	L121 T125 W151 F177 P179 A182 I183 L184 A185	L121-I159 HydrophobicContact CD1-CG1 4.45Å; T125-I159 HydrophobicContact CG2-CG2 4.2Å; T125-I159 WeakPolarHBondContact OG1-CG2 3.42Å; W151-I159 HydrophobicContact CH2-CD1 4.21Å; I159-F177 HydrophobicContact CD1-CE2 3.87Å; I159-F177 HydrophobicContact CD1-CZ 3.99Å; I159-F177 HydrophobicContact CG2-CZ 4.33Å; I159-P179 HydrophobicContact CD1-CB 3.79Å; I159-A182 HydrophobicContact CD1-CB 3.62Å; I159-A182 HydrophobicContact CG1-CB 4Å; I159-I183 PolarHBondContact N-O 3.16Å; I159-L184 HydrophobicContact CB-CD2 3.94Å; I159-L184 HydrophobicContact CD1-CD2 4.24Å; I159-L184 HydrophobicContact CG2-CD2 4.33Å; I159-A185 PolarHBondContact O-N 3.16Å
160	F	97.2	Very high	88.2	Confident	2 Å²	2	34.5 Å²	34.5	1%	0.009	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	133.6	172.9	-70.9	-95.4	0	0	0	110.4	I99 I103 I120 T125 L126 L158 A185 L202 V402 V405	I99-F160 HydrophobicContact CD1-CB 4.09Å; I99-F160 HydrophobicContact CD1-CD1 4.09Å; I99-F160 HydrophobicContact CD1-CG 4.13Å; I99-F160 HydrophobicContact CG2-CD1 4.27Å; I99-F160 HydrophobicContact CG2-CD2 3.83Å; I99-F160 HydrophobicContact CG2-CE1 4.3Å; I99-F160 HydrophobicContact CG2-CE2 3.87Å; I99-F160 HydrophobicContact CG2-CG 4.04Å; I99-F160 HydrophobicContact CG2-CZ 4.11Å; I103-F160 HydrophobicContact CD1-CE2 4.17Å; I120-F160 HydrophobicContact CD1-CE2 4.3Å; T125-F160 CarbonylContact C-O 3.53Å; T125-F160 WeakPolarHBondContact CB-O 3.41Å; T125-F160 PolarHBondContact OG1-O 3.44Å; L126-F160 HydrophobicContact CD2-CB 3.62Å; L158-F160 HydrophobicContact CD2-CE2 3.75Å; L158-F160 HydrophobicContact CD2-CZ 3.92Å; L158-F160 HydrophobicContact CG-CD2 4.48Å; L158-F160 HydrophobicContact CG-CE2 3.96Å; L158-F160 HydrophobicContact CG-CZ 4.45Å; F160-A185 CarbonylContact C-O 3.45Å; F160-A185 VanDerWaalsContact CA-O 3.3Å; F160-A185 WeakPolarHBondContact CA-O 3.41Å; F160-A185 HydrophobicContact CD1-CB 3.87Å; F160-A185 HydrophobicContact CE1-CB 3.94Å; F160-A185 HydrophobicContact CG-CB 4.37Å; F160-A185 HydrophobicContact CZ-CB 4.5Å; F160-L202 HydrophobicContact CD1-CD1 3.98Å; F160-V402 HydrophobicContact CE1-CG2 4.35Å; F160-V402 HydrophobicContact CZ-CG2 4.38Å; F160-V405 HydrophobicContact CE1-CG1 4.38Å; F160-V405 HydrophobicContact CE1-CG2 4.21Å; F160-V405 HydrophobicContact CZ-CG1 4.21Å
161	N	95.8	Very high	87.8	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	130.7	175	-176.9	-97	0	0	0	112.1	T125 L126 S164 L175 A185 K186 A187	T125-N161 PolarHBondContact O-ND2 3.19Å; L126-N161 PolarHBondContact O-ND2 3.27Å; N161-S164 PolarHBondContact OD1-N 3.48Å; N161-S164 PolarHBondContact OD1-OG 2.87Å; N161-L175 HydrophobicContact CB-CD2 4.01Å; N161-A185 PolarHBondContact N-O 2.95Å; N161-K186 HydrophobicContact CB-CB 4.08Å; N161-K186 HydrophobicContact CB-CG 4.14Å; N161-K186 CarbonylContact O-C 3.6Å; N161-K186 WeakPolarHBondContact O-CA 3.29Å; N161-A187 PolarHBondContact O-N 3.49Å
162	L	94.1	Very high	87.3	Confident	1 Å²	1	33 Å²	33	1%	0.005	17%	0.166	C	C	.	.	S	Bend	trans	-108.9	-33.9	177.2	-65.8	-177.6	0	0	0	112.5	L126 A187 L202 L204 F205	L126-L162 HydrophobicContact CB-CG 4.47Å; L126-L162 HydrophobicContact CD1-CD1 4.09Å; L126-L162 HydrophobicContact CD2-CG 4.22Å; L126-L162 PolarHBondContact O-N 3.44Å; L162-A187 HydrophobicContact CD2-CB 4.01Å; L162-L202 HydrophobicContact CD2-CD1 4.41Å; L162-L204 HydrophobicContact CB-CD1 3.99Å; L162-L204 WeakPolarHBondContact O-CD1 3.3Å; L162-F205 HydrophobicContact CD1-CD1 4.19Å; L162-F205 HydrophobicContact CD1-CD2 4.22Å; L162-F205 HydrophobicContact CD1-CE1 3.88Å; L162-F205 HydrophobicContact CD1-CE2 3.9Å; L162-F205 HydrophobicContact CD1-CG 4.37Å; L162-F205 HydrophobicContact CD1-CZ 3.73Å; L162-F205 HydrophobicContact CD2-CD1 4.01Å; L162-F205 HydrophobicContact CD2-CE1 3.71Å; L162-F205 HydrophobicContact CD2-CZ 4.34Å; L162-F205 HydrophobicContact CG-CE1 4.35Å
163	Y	90.6	Very high	86.8	Confident	51 Å²	51	28.9 Å²	28.9	20%	0.2	15%	0.146	C	C	.	.	B	Isolated β-bridge	trans	-128.1	94.5	-173.4	-44.9	-77.5	0	0	0	109.4	L126 R128 L204 F205 F318	L126-Y163 PolarHBondContact O-N 3.07Å; R128-Y163 PolarHBondContact N-O 2.95Å; Y163-L204 HydrophobicContact CD1-CD1 3.97Å; Y163-L204 HydrophobicContact CE1-CD1 3.62Å; Y163-L204 HydrophobicContact CE1-CD2 4.24Å; Y163-L204 HydrophobicContact CE1-CG 4.21Å; Y163-F205 PolarHBondContact OH-O 3.18Å; Y163-F318 HydrophobicContact CE1-CE1 4.44Å; Y163-F318 AromaticContact CE1-CZ 3.82Å; Y163-F318 HydrophobicContact CE1-CZ 3.82Å; Y163-F318 WeakPolarHBondContact OH-CZ 3.24Å
164	S	86.1	Confident	86.4	Confident	1 Å²	1	28.2 Å²	28.2	1%	0.007	14%	0.143	C	C	.	.			trans	-88.4	149.2	170.6	-43.3	0	0	0	0	111.3	N161 K186 R314	N161-S164 PolarHBondContact OD1-N 3.48Å; N161-S164 PolarHBondContact OD1-OG 2.87Å; S164-K186 WeakPolarHBondContact OG-CD 3.26Å; S164-K186 WeakPolarHBondContact OG-CE 3.29Å; S164-R314 PolarHBondContact O-NE 3.29Å; S164-R314 PolarHBondContact O-NH2 3.1Å; S164-R314 VanDerWaalsContact O-NH2 3.11Å
165	G	80.7	Confident	86	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.144	C	C	.	.	S	Bend	trans	66.5	158.1	179.2	0	0	0	0	0	114.7	D171 D174 R314	G165-D171 WeakPolarHBondContact CA-O 3.38Å; G165-D171 PolarHBondContact N-O 3.28Å; G165-D174 PolarHBondContact N-O 3.06Å; G165-D174 VanDerWaalsContact N-O 3.08Å; G165-R314 PolarHBondContact O-NH2 2.98Å
166	T	78.7	Confident	85.4	Confident	39 Å²	39	29.4 Å²	29.4	24%	0.239	16%	0.157	C	C	.	.			trans	-113.1	163.3	177.7	-174.3	0	0	0	0	111.4	D129 N130 N169 Y170	D129-T166 PolarHBondContact OD1-OG1 2.89Å; N130-T166 PolarHBondContact OD1-OG1 3.2Å; T166-N169 PolarHBondContact O-N 3.25Å; T166-Y170 WeakPolarHBondContact O-CA 3.38Å; T166-Y170 PolarHBondContact O-N 3.1Å
167	W	70.5	Confident	85.1	Confident	137 Å²	137	30.6 Å²	30.6	52%	0.519	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	143	170	-176.1	90.3	0	0	0	110.6	Y170	W167-Y170 HydrophobicContact CB-CE1 4.34Å; W167-Y170 HydrophobicContact CB-CE2 4.34Å; W167-Y170 WeakPolarHBondContact CB-OH 3.41Å
168	P	68.8	Low	84.7	Confident	60 Å²	60	35.9 Å²	35.9	39%	0.39	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	cis	-90.4	-12.6	1.2	32.9	-33.2	0	0	0	114.8
169	N	71.2	Confident	84.4	Confident	101 Å²	101	36.1 Å²	36.1	54%	0.54	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-26.4	-166.4	-66.4	-27.1	0	0	0	114.4	T166 D171 I248	T166-N169 PolarHBondContact O-N 3.25Å; N169-D171 PolarHBondContact O-N 2.55Å; N169-I248 WeakPolarHBondContact O-CD1 3.49Å
170	Y	75.5	Confident	84.1	Confident	25 Å²	25	36.8 Å²	36.8	10%	0.098	20%	0.2	C	C	.	.			trans	43.9	47.4	-175.7	-60	-74.2	0	0	0	113.1	T166 W167 L172 R313	T166-Y170 WeakPolarHBondContact O-CA 3.38Å; T166-Y170 PolarHBondContact O-N 3.1Å; W167-Y170 HydrophobicContact CB-CE1 4.34Å; W167-Y170 HydrophobicContact CB-CE2 4.34Å; W167-Y170 WeakPolarHBondContact CB-OH 3.41Å; Y170-L172 PolarHBondContact O-N 3.01Å; Y170-R313 HydrophobicContact CD2-CB 3.98Å; Y170-R313 HydrophobicContact CD2-CG 4.43Å; Y170-R313 HydrophobicContact CE2-CB 3.9Å; Y170-R313 HydrophobicContact CE2-CG 3.91Å; Y170-R313 HydrophobicContact CG-CB 4.38Å; Y170-R313 VanDerWaalsContact CZ-CD 3.48Å; Y170-R313 VanDerWaalsContact OH-CD 3.25Å; Y170-R313 WeakPolarHBondContact OH-CD 3.48Å; Y170-R313 PolarHBondContact OH-NE 3.43Å; Y170-R313 VanDerWaalsContact OH-NE 3.15Å
171	D	81.3	Confident	84	Confident	38 Å²	38	40.1 Å²	40.1	20%	0.203	22%	0.215	C	C	.	.			trans	-54.4	114	179.8	-174.9	-2.4	0	0	0	109.7	G165 N169 A173 D174	G165-D171 WeakPolarHBondContact CA-O 3.38Å; G165-D171 PolarHBondContact N-O 3.28Å; N169-D171 PolarHBondContact O-N 2.55Å; D171-A173 PolarHBondContact O-N 3.01Å; D171-A173 PolarHBondContact OD1-N 3.45Å; D171-D174 HydrophobicContact CB-CB 4.04Å; D171-D174 PolarHBondContact O-N 2.99Å; D171-D174 VanDerWaalsContact O-N 3.08Å
172	L	80.6	Confident	84	Confident	26 Å²	26	40.1 Å²	40.1	14%	0.136	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-22.2	-178.1	-62.7	174.7	0	0	0	110.8	Y170 K186 R314 L315	Y170-L172 PolarHBondContact O-N 3.01Å; L172-K186 PolarHBondContact O-NZ 3.11Å; L172-R314 HydrophobicContact CD2-CB 4.1Å; L172-R314 HydrophobicContact CD2-CG 4.05Å; L172-L315 HydrophobicContact CD1-CD1 3.74Å; L172-L315 HydrophobicContact CD1-CG 3.88Å
173	A	81.3	Confident	84.2	Confident	14 Å²	14	40.1 Å²	40.1	12%	0.116	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-20.5	175.4	0	0	0	0	0	113.1	R54 D171 L175	R54-A173 WeakPolarHBondContact O-CB 3.3Å; D171-A173 PolarHBondContact O-N 3.01Å; D171-A173 PolarHBondContact OD1-N 3.45Å; A173-L175 PolarHBondContact O-N 3.15Å
174	D	83.4	Confident	84.5	Confident	70 Å²	70	37.8 Å²	37.8	37%	0.374	21%	0.205	S	C	.	.			trans	-83.8	110.7	-169.1	-171.7	18.2	0	0	0	112.1	G165 D171 G176	G165-D174 PolarHBondContact N-O 3.06Å; G165-D174 VanDerWaalsContact N-O 3.08Å; D171-D174 HydrophobicContact CB-CB 4.04Å; D171-D174 PolarHBondContact O-N 2.99Å; D171-D174 VanDerWaalsContact O-N 3.08Å; D174-G176 WeakPolarHBondContact OD1-CA 3.48Å; D174-G176 PolarHBondContact OD1-N 3.35Å
175	L	86.6	Confident	85	Confident	6 Å²	6	37.8 Å²	37.8	3%	0.031	21%	0.205	C	C	.	.			trans	-99.6	-1.7	170.2	-64.2	176.7	0	0	0	112.2	R128 N161 A173 F177 P179 L184	R128-L175 WeakPolarHBondContact CB-O 3.39Å; R128-L175 WeakPolarHBondContact CD-O 3.3Å; R128-L175 HydrophobicContact CG-CB 4.44Å; R128-L175 HydrophobicContact CG-CD2 4.42Å; R128-L175 WeakPolarHBondContact CG-O 3.44Å; R128-L175 PolarHBondContact NE-O 3.38Å; N161-L175 HydrophobicContact CB-CD2 4.01Å; A173-L175 PolarHBondContact O-N 3.15Å; L175-F177 HydrophobicContact CB-CD1 4.38Å; L175-F177 HydrophobicContact CB-CE1 4.27Å; L175-F177 WeakPolarHBondContact O-CD1 3.43Å; L175-F177 PolarHBondContact O-N 3.21Å; L175-F177 VanDerWaalsContact O-N 3.16Å; L175-P179 HydrophobicContact CD1-CB 4.24Å; L175-P179 HydrophobicContact CD1-CG 3.98Å; L175-L184 HydrophobicContact CD1-CD1 3.97Å; L175-L184 HydrophobicContact CD1-CD2 3.83Å
176	G	83.5	Confident	85.8	Confident	38 Å²	38	37.9 Å²	37.9	39%	0.392	21%	0.206	S	C	.	.	S	Bend	trans	66.4	9.3	-175.5	0	0	0	0	0	115	D174	D174-G176 WeakPolarHBondContact OD1-CA 3.48Å; D174-G176 PolarHBondContact OD1-N 3.35Å
177	F	88.1	Confident	86.5	Confident	28 Å²	28	36 Å²	36	12%	0.123	19%	0.194	C	C	.	.	S	Bend	trans	-158.6	164.4	168.9	67.4	-84	0	0	0	109.8	T125 M139 I143 I159 L175 P179	T125-F177 HydrophobicContact CG2-CE1 4.11Å; T125-F177 HydrophobicContact CG2-CZ 4.03Å; M139-F177 HydrophobicContact CB-CB 3.96Å; M139-F177 HydrophobicContact CB-CD1 3.97Å; M139-F177 HydrophobicContact CB-CG 3.98Å; M139-F177 HydrophobicContact CE-CE1 4.32Å; M139-F177 HydrophobicContact CE-CZ 4.37Å; M139-F177 HydrophobicContact CG-CD1 4.07Å; M139-F177 HydrophobicContact CG-CE1 4.47Å; I143-F177 HydrophobicContact CD1-CD2 3.68Å; I143-F177 HydrophobicContact CD1-CE2 3.93Å; I143-F177 HydrophobicContact CD1-CG 4.49Å; I159-F177 HydrophobicContact CD1-CE2 3.87Å; I159-F177 HydrophobicContact CD1-CZ 3.99Å; I159-F177 HydrophobicContact CG2-CZ 4.33Å; L175-F177 HydrophobicContact CB-CD1 4.38Å; L175-F177 HydrophobicContact CB-CE1 4.27Å; L175-F177 WeakPolarHBondContact O-CD1 3.43Å; L175-F177 PolarHBondContact O-N 3.21Å; L175-F177 VanDerWaalsContact O-N 3.16Å; F177-P179 HydrophobicContact CE2-CB 4.36Å; F177-P179 VanDerWaalsContact O-CD 3.29Å; F177-P179 WeakPolarHBondContact O-CD 3.48Å
178	D	89.4	Confident	87.6	Confident	113 Å²	113	29.6 Å²	29.6	60%	0.604	17%	0.17	S	C	*	.			trans	-85.1	111.7	175.4	-174.6	3.6	0	0	0	110.2	G180	D178-G180 PolarHBondContact O-N 3Å; D178-G180 PolarHBondContact OD1-N 2.85Å
179	P	91.3	Very high	88.7	Confident	6 Å²	6	26.8 Å²	26.8	4%	0.039	15%	0.152	C	C	.	.			trans	-73.6	-9	176.5	33.9	-38.2	0	0	0	112.8	L56 I159 L175 F177 K181 A182 L184	L56-P179 HydrophobicContact CD2-CG 4.4Å; I159-P179 HydrophobicContact CD1-CB 3.79Å; L175-P179 HydrophobicContact CD1-CB 4.24Å; L175-P179 HydrophobicContact CD1-CG 3.98Å; F177-P179 HydrophobicContact CE2-CB 4.36Å; F177-P179 VanDerWaalsContact O-CD 3.29Å; F177-P179 WeakPolarHBondContact O-CD 3.48Å; P179-K181 PolarHBondContact O-N 3.38Å; P179-A182 HydrophobicContact CB-CB 4.33Å; P179-A182 VanDerWaalsContact O-CB 3.23Å; P179-A182 WeakPolarHBondContact O-CB 3.22Å; P179-A182 PolarHBondContact O-N 3.46Å; P179-L184 HydrophobicContact CB-CD2 3.99Å; P179-L184 HydrophobicContact CG-CD2 4.39Å
180	G	92.1	Very high	89.7	Confident	17 Å²	17	22.5 Å²	22.5	18%	0.175	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	58	-125.1	-175.5	0	0	0	0	0	111.7	D178	D178-G180 PolarHBondContact O-N 3Å; D178-G180 PolarHBondContact OD1-N 2.85Å
181	K	95	Very high	90.4	Very high	72 Å²	72	25 Å²	25	31%	0.313	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	3	178.5	-67.1	-177.9	170.1	-165.9	0	113.3	T63 C64 N153 G154 V155 P179 Y198	T63-K181 PolarHBondContact O-NZ 3.22Å; C64-K181 HydrophobicContact CB-CB 4.01Å; C64-K181 HydrophobicContact CB-CD 4.14Å; C64-K181 HydrophobicContact CB-CG 4.03Å; N153-K181 WeakPolarHBondContact O-CB 3.39Å; N153-K181 PolarHBondContact O-N 3.08Å; G154-K181 CarbonylContact O-C 3.51Å; V155-K181 HydrophobicContact CG2-CB 4.07Å; V155-K181 HydrophobicContact CG2-CD 3.52Å; V155-K181 HydrophobicContact CG2-CG 4.39Å; P179-K181 PolarHBondContact O-N 3.38Å; K181-Y198 PolarHBondContact O-OH 2.77Å
182	A	95.7	Very high	90.7	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.168	C	C	.	.			trans	-60	143.8	-178.3	0	0	0	0	0	112.5	W151 G154 H157 I159 P179 R195	W151-A182 HydrophobicContact CH2-CB 4.26Å; G154-A182 WeakPolarHBondContact O-CA 3.4Å; G154-A182 PolarHBondContact O-N 3.46Å; G154-A182 VanDerWaalsContact O-N 3.12Å; H157-A182 HydrophobicContact CB-CB 3.84Å; H157-A182 CarbonylContact O-C 3.51Å; H157-A182 WeakPolarHBondContact O-CA 3.41Å; I159-A182 HydrophobicContact CD1-CB 3.62Å; I159-A182 HydrophobicContact CG1-CB 4Å; P179-A182 HydrophobicContact CB-CB 4.33Å; P179-A182 VanDerWaalsContact O-CB 3.23Å; P179-A182 WeakPolarHBondContact O-CB 3.22Å; P179-A182 PolarHBondContact O-N 3.46Å; A182-R195 PolarHBondContact O-NH2 3.08Å
183	I	97.3	Very high	91.1	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.005	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	131.3	168.1	-66.4	169.9	0	0	0	108	M61 F65 H157 L158 I159 Y198 I409	M61-I183 HydrophobicContact SD-CD1 4.49Å; F65-I183 HydrophobicContact CD2-CD1 4.02Å; F65-I183 HydrophobicContact CE2-CD1 4.09Å; H157-I183 PolarHBondContact O-N 2.86Å; L158-I183 WeakPolarHBondContact CA-O 3.47Å; L158-I183 HydrophobicContact CD1-CB 4.14Å; L158-I183 HydrophobicContact CD1-CG2 3.7Å; I159-I183 PolarHBondContact N-O 3.16Å; I183-Y198 HydrophobicContact CG1-CD1 4.38Å; I183-Y198 HydrophobicContact CG1-CE1 3.92Å; I183-Y198 HydrophobicContact CG1-CE2 4.18Å; I183-Y198 VanDerWaalsContact CG2-O 3.23Å; I183-Y198 WeakPolarHBondContact CG2-O 3.31Å; I183-I409 HydrophobicContact CD1-CD1 4.49Å; I183-I409 HydrophobicContact CG2-CD1 4.39Å
184	L	96.9	Very high	91.6	Very high	2 Å²	2	31 Å²	31	1%	0.01	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	114.4	175.8	-58.4	179.8	0	0	0	109.7	L56 I159 L175 P179 K186 F189 D199 V200	L56-L184 HydrophobicContact CD1-CD1 3.7Å; I159-L184 HydrophobicContact CB-CD2 3.94Å; I159-L184 HydrophobicContact CD1-CD2 4.24Å; I159-L184 HydrophobicContact CG2-CD2 4.33Å; L175-L184 HydrophobicContact CD1-CD1 3.97Å; L175-L184 HydrophobicContact CD1-CD2 3.83Å; P179-L184 HydrophobicContact CB-CD2 3.99Å; P179-L184 HydrophobicContact CG-CD2 4.39Å; L184-K186 HydrophobicContact CB-CB 4.34Å; L184-K186 PolarHBondContact O-N 2.9Å; L184-F189 HydrophobicContact CB-CZ 3.96Å; L184-D199 WeakPolarHBondContact CB-OD1 3.26Å; L184-D199 PolarHBondContact N-OD1 3.46Å; L184-D199 WeakPolarHBondContact O-CB 3.44Å; L184-V200 PolarHBondContact O-N 2.97Å
185	A	97.8	Very high	92.1	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	93.9	162.1	0	0	0	0	0	107.9	L158 I159 F160 N161 V200 L202 V405	L158-A185 HydrophobicContact CD1-CB 3.78Å; I159-A185 PolarHBondContact O-N 3.16Å; F160-A185 CarbonylContact C-O 3.45Å; F160-A185 VanDerWaalsContact CA-O 3.3Å; F160-A185 WeakPolarHBondContact CA-O 3.41Å; F160-A185 HydrophobicContact CD1-CB 3.87Å; F160-A185 HydrophobicContact CE1-CB 3.94Å; F160-A185 HydrophobicContact CG-CB 4.37Å; F160-A185 HydrophobicContact CZ-CB 4.5Å; N161-A185 PolarHBondContact N-O 2.95Å; A185-V200 CarbonylContact C-O 3.33Å; A185-V200 VanDerWaalsContact CA-O 3.3Å; A185-V200 WeakPolarHBondContact CA-O 3.32Å; A185-V200 HydrophobicContact CB-CB 4.33Å; A185-L202 VanDerWaalsContact C-CD1 3.47Å; A185-L202 HydrophobicContact CB-CD1 3.98Å; A185-L202 HydrophobicContact CB-CD2 4.31Å; A185-L202 HydrophobicContact CB-CG 4.22Å; A185-L202 WeakPolarHBondContact O-CD1 3.45Å; A185-V405 HydrophobicContact CB-CG1 4Å; A185-V405 HydrophobicContact CB-CG2 4.35Å
186	K	95.9	Very high	92.4	Very high	3 Å²	3	37.9 Å²	37.9	1%	0.013	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	141.9	-166.1	163.7	-174.9	156.3	-157.7	0	113.9	N161 S164 L172 L184 F189 V200 S201 L202	N161-K186 HydrophobicContact CB-CB 4.08Å; N161-K186 HydrophobicContact CB-CG 4.14Å; N161-K186 CarbonylContact O-C 3.6Å; N161-K186 WeakPolarHBondContact O-CA 3.29Å; S164-K186 WeakPolarHBondContact OG-CD 3.26Å; S164-K186 WeakPolarHBondContact OG-CE 3.29Å; L172-K186 PolarHBondContact O-NZ 3.11Å; L184-K186 HydrophobicContact CB-CB 4.34Å; L184-K186 PolarHBondContact O-N 2.9Å; K186-F189 HydrophobicContact CB-CD2 4.2Å; K186-F189 HydrophobicContact CB-CE1 4.48Å; K186-F189 HydrophobicContact CB-CE2 3.49Å; K186-F189 VanDerWaalsContact CB-CE2 3.49Å; K186-F189 HydrophobicContact CB-CZ 3.65Å; K186-F189 HydrophobicContact CD-CD1 4.39Å; K186-F189 HydrophobicContact CD-CE1 3.96Å; K186-F189 HydrophobicContact CD-CE2 4.38Å; K186-F189 HydrophobicContact CD-CZ 3.96Å; K186-F189 HydrophobicContact CG-CD2 4.34Å; K186-F189 HydrophobicContact CG-CE1 4.47Å; K186-F189 HydrophobicContact CG-CE2 4.03Å; K186-F189 HydrophobicContact CG-CZ 4.09Å; K186-F189 WeakPolarHBondContact O-CD2 3.41Å; K186-F189 WeakPolarHBondContact O-CE2 3.42Å; K186-V200 PolarHBondContact N-O 2.96Å; K186-S201 WeakPolarHBondContact O-CA 3.06Å; K186-L202 PolarHBondContact O-N 2.61Å
187	A	95.1	Very high	92.8	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	156.3	172.5	0	0	0	0	0	112.7	N161 L162 F189 L202 L204	N161-A187 PolarHBondContact O-N 3.49Å; L162-A187 HydrophobicContact CD2-CB 4.01Å; A187-F189 VanDerWaalsContact C-N 3.35Å; A187-F189 PolarHBondContact O-N 3.42Å; A187-L202 WeakPolarHBondContact CA-O 3.12Å; A187-L202 HydrophobicContact CB-CB 4.33Å; A187-L204 HydrophobicContact CB-CB 4.46Å; A187-L204 HydrophobicContact CB-CD1 3.95Å
188	S	92.8	Very high	93.2	Very high	2 Å²	2	38.9 Å²	38.9	1%	0.014	18%	0.181	C	C	.	.	S	Bend	trans	61	33.9	174.2	-53	0	0	0	0	115.4	S190 G316	S188-S190 PolarHBondContact O-N 2.91Å; S188-G316 WeakPolarHBondContact OG-CA 3.49Å; S188-G316 PolarHBondContact OG-N 2.8Å
189	F	92.8	Very high	93.6	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	15%	0.152	C	C	.	.			trans	-59.5	135.7	171.9	-88.3	-65.9	0	0	0	112.5	L184 K186 A187 Y194 D199 V338	L184-F189 HydrophobicContact CB-CZ 3.96Å; K186-F189 HydrophobicContact CB-CD2 4.2Å; K186-F189 HydrophobicContact CB-CE1 4.48Å; K186-F189 HydrophobicContact CB-CE2 3.49Å; K186-F189 VanDerWaalsContact CB-CE2 3.49Å; K186-F189 HydrophobicContact CB-CZ 3.65Å; K186-F189 HydrophobicContact CD-CD1 4.39Å; K186-F189 HydrophobicContact CD-CE1 3.96Å; K186-F189 HydrophobicContact CD-CE2 4.38Å; K186-F189 HydrophobicContact CD-CZ 3.96Å; K186-F189 HydrophobicContact CG-CD2 4.34Å; K186-F189 HydrophobicContact CG-CE1 4.47Å; K186-F189 HydrophobicContact CG-CE2 4.03Å; K186-F189 HydrophobicContact CG-CZ 4.09Å; K186-F189 WeakPolarHBondContact O-CD2 3.41Å; K186-F189 WeakPolarHBondContact O-CE2 3.42Å; A187-F189 VanDerWaalsContact C-N 3.35Å; A187-F189 PolarHBondContact O-N 3.42Å; F189-Y194 HydrophobicContact CB-CD2 4.21Å; F189-Y194 HydrophobicContact CD1-CD2 4.1Å; F189-Y194 AromaticContact CD2-CD2 3.77Å; F189-Y194 HydrophobicContact CD2-CD2 3.77Å; F189-Y194 HydrophobicContact CD2-CE2 4.31Å; F189-Y194 HydrophobicContact CE1-CD2 4.37Å; F189-Y194 HydrophobicContact CE2-CD2 4.04Å; F189-Y194 HydrophobicContact CE2-CE2 4.42Å; F189-Y194 AromaticContact CG-CD2 3.79Å; F189-Y194 HydrophobicContact CG-CD2 3.79Å; F189-Y194 HydrophobicContact CG-CG 4.43Å; F189-Y194 HydrophobicContact CZ-CD2 4.33Å; F189-D199 HydrophobicContact CE1-CB 4.46Å; F189-D199 HydrophobicContact CE2-CB 4.03Å; F189-D199 HydrophobicContact CZ-CB 3.7Å; F189-V338 HydrophobicContact CB-CB 4.01Å; F189-V338 HydrophobicContact CB-CG2 4.31Å; F189-V338 PolarHBondContact O-N 3.22Å
190	S	91.7	Very high	93.9	Very high	11 Å²	11	33.2 Å²	33.2	8%	0.077	15%	0.151	C	C	.	.	B	Isolated β-bridge	trans	-87.4	151.4	162.2	71.7	0	0	0	0	110.1	S188 R192 Q193 Y194 D336	S188-S190 PolarHBondContact O-N 2.91Å; S190-R192 PolarHBondContact O-N 2.96Å; S190-R192 VanDerWaalsContact O-N 3.1Å; S190-Q193 PolarHBondContact O-N 3.18Å; S190-Q193 VanDerWaalsContact O-N 3.14Å; S190-Q193 PolarHBondContact OG-N 2.81Å; S190-Y194 WeakPolarHBondContact O-CB 3.41Å; S190-Y194 PolarHBondContact O-N 3.17Å; S190-D336 CarbonylContact C-O 3.4Å; S190-D336 WeakPolarHBondContact CA-O 3.03Å
191	T	90.5	Very high	94.1	Very high	79 Å²	79	32.4 Å²	32.4	49%	0.485	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-24.7	172.8	48	0	0	0	0	113.2	D336 V338	T191-D336 PolarHBondContact N-O 3.4Å; T191-D336 WeakPolarHBondContact OG1-CB 3.38Å; T191-D336 PolarHBondContact OG1-OD1 3.17Å; T191-V338 HydrophobicContact CG2-CG2 3.96Å
192	R	88.1	Confident	94.2	Very high	166 Å²	166	29 Å²	29	63%	0.626	13%	0.128	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-27.8	-179.9	-57.9	-177.6	-170.4	-171.2	-0.5	113.9	S190	S190-R192 PolarHBondContact O-N 2.96Å; S190-R192 VanDerWaalsContact O-N 3.1Å
193	Q	87.6	Confident	94.2	Very high	7 Å²	7	29 Å²	29	3%	0.033	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.1	-17.7	-175.2	-68.9	170.9	-20.3	0	0	113.2	S190 R195	S190-Q193 PolarHBondContact O-N 3.18Å; S190-Q193 VanDerWaalsContact O-N 3.14Å; S190-Q193 PolarHBondContact OG-N 2.81Å; Q193-R195 PolarHBondContact O-N 3.13Å
194	Y	91.9	Very high	94	Very high	31 Å²	31	29.6 Å²	29.6	12%	0.122	13%	0.131	C	C	.	.			trans	-71.8	116.3	-178.7	180	-116.7	0	0	0	111.5	F189 S190 R196 D199 V338	F189-Y194 HydrophobicContact CB-CD2 4.21Å; F189-Y194 HydrophobicContact CD1-CD2 4.1Å; F189-Y194 AromaticContact CD2-CD2 3.77Å; F189-Y194 HydrophobicContact CD2-CD2 3.77Å; F189-Y194 HydrophobicContact CD2-CE2 4.31Å; F189-Y194 HydrophobicContact CE1-CD2 4.37Å; F189-Y194 HydrophobicContact CE2-CD2 4.04Å; F189-Y194 HydrophobicContact CE2-CE2 4.42Å; F189-Y194 AromaticContact CG-CD2 3.79Å; F189-Y194 HydrophobicContact CG-CD2 3.79Å; F189-Y194 HydrophobicContact CG-CG 4.43Å; F189-Y194 HydrophobicContact CZ-CD2 4.33Å; S190-Y194 WeakPolarHBondContact O-CB 3.41Å; S190-Y194 PolarHBondContact O-N 3.17Å; Y194-R196 HydrophobicContact CE1-CB 4.41Å; Y194-R196 PolarHBondContact O-N 2.79Å; Y194-R196 VanDerWaalsContact O-N 3.14Å; Y194-D199 HydrophobicContact CD2-CB 3.93Å; Y194-D199 HydrophobicContact CE2-CB 3.83Å; Y194-D199 WeakPolarHBondContact CE2-O 3.37Å; Y194-D199 PolarHBondContact OH-O 2.93Å; Y194-V338 HydrophobicContact CD1-CG1 3.94Å; Y194-V338 HydrophobicContact CD1-CG2 4.1Å; Y194-V338 HydrophobicContact CD2-CG1 4.37Å; Y194-V338 HydrophobicContact CE1-CG1 3.98Å; Y194-V338 HydrophobicContact CE2-CG1 4.41Å; Y194-V338 HydrophobicContact CG-CG1 4.14Å; Y194-V338 HydrophobicContact CG-CG2 4.07Å
195	R	93.8	Very high	93.9	Very high	18 Å²	18	29.8 Å²	29.8	7%	0.068	13%	0.131	C	C	.	.			trans	-79.8	98.4	173.9	-58.2	175.6	-65	178.3	-0.2	108.8	K57 A182 Q193 N197 Y198 D199	K57-R195 WeakPolarHBondContact O-CD 3.46Å; A182-R195 PolarHBondContact O-NH2 3.08Å; Q193-R195 PolarHBondContact O-N 3.13Å; R195-N197 PolarHBondContact O-N 3.33Å; R195-Y198 HydrophobicContact CB-CD1 4.39Å; R195-Y198 WeakPolarHBondContact O-CB 3.39Å; R195-Y198 PolarHBondContact O-N 3.29Å; R195-D199 VanDerWaalsContact CB-OD2 3.29Å; R195-D199 WeakPolarHBondContact CB-OD2 3.2Å; R195-D199 WeakPolarHBondContact CG-OD2 3.38Å; R195-D199 IonicContact CZ-OD1 3.15Å; R195-D199 IonicContact CZ-OD2 3.68Å; R195-D199 PolarHBondContact N-OD2 3.35Å; R195-D199 IonicContact NE-OD1 2.64Å; R195-D199 PolarHBondContact NE-OD1 2.93Å; R195-D199 IonicContact NE-OD2 3.35Å; R195-D199 PolarHBondContact NE-OD2 3.05Å; R195-D199 IonicContact NH2-OD1 2.59Å; R195-D199 PolarHBondContact NH2-OD1 2.93Å; R195-D199 IonicContact NH2-OD2 3.83Å; R195-D199 PolarHBondContact O-N 3.36Å
196	R	93.1	Very high	93.4	Very high	202 Å²	202	33.9 Å²	33.9	76%	0.762	15%	0.151	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.9	133.6	-173.4	-174.5	177.8	-179.4	-178	-0.7	111.7	Y194 Y198	Y194-R196 HydrophobicContact CE1-CB 4.41Å; Y194-R196 PolarHBondContact O-N 2.79Å; Y194-R196 VanDerWaalsContact O-N 3.14Å; R196-Y198 PolarHBondContact O-N 2.84Å; R196-Y198 VanDerWaalsContact O-N 3.15Å
197	N	93.1	Very high	93.1	Very high	85 Å²	85	37.8 Å²	37.8	46%	0.455	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.9	13.2	-177	-53	-23.5	0	0	0	114.4	R195	R195-N197 PolarHBondContact O-N 3.33Å
198	Y	96	Very high	92.8	Very high	1 Å²	1	43.2 Å²	43.2	0%	0.004	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.4	-53.6	176.8	-167.4	-102.6	0	0	0	111.1	C59 S60 M61 C64 F65 K181 I183 R195 R196 R412	C59-Y198 HydrophobicContact CB-CD1 3.71Å; C59-Y198 HydrophobicContact CB-CD2 4.4Å; C59-Y198 HydrophobicContact CB-CE1 3.65Å; C59-Y198 HydrophobicContact CB-CE2 4.34Å; C59-Y198 HydrophobicContact CB-CG 4.08Å; S60-Y198 WeakPolarHBondContact O-CE2 3.17Å; M61-Y198 HydrophobicContact CG-CD2 4.29Å; M61-Y198 HydrophobicContact SD-CD2 3.8Å; M61-Y198 HydrophobicContact SD-CE2 4.08Å; C64-Y198 HydrophobicContact CB-CE1 4.36Å; C64-Y198 HydrophobicContact CB-CE2 3.89Å; C64-Y198 WeakPolarHBondContact CB-OH 3.34Å; C64-Y198 PolarHBondContact O-OH 2.69Å; F65-Y198 HydrophobicContact CB-CE2 4.3Å; K181-Y198 PolarHBondContact O-OH 2.77Å; I183-Y198 HydrophobicContact CG1-CD1 4.38Å; I183-Y198 HydrophobicContact CG1-CE1 3.92Å; I183-Y198 HydrophobicContact CG1-CE2 4.18Å; I183-Y198 VanDerWaalsContact CG2-O 3.23Å; I183-Y198 WeakPolarHBondContact CG2-O 3.31Å; R195-Y198 HydrophobicContact CB-CD1 4.39Å; R195-Y198 WeakPolarHBondContact O-CB 3.39Å; R195-Y198 PolarHBondContact O-N 3.29Å; R196-Y198 PolarHBondContact O-N 2.84Å; R196-Y198 VanDerWaalsContact O-N 3.15Å; Y198-R412 VanDerWaalsContact C-NH1 3.28Å; Y198-R412 PolarHBondContact O-NH1 2.92Å
199	D	96.8	Very high	92.7	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	20%	0.2	C	C	.	.	S	Bend	trans	-82	161.7	172.3	-68.9	-34.5	0	0	0	111.7	L184 F189 Y194 R195 R412	L184-D199 WeakPolarHBondContact CB-OD1 3.26Å; L184-D199 PolarHBondContact N-OD1 3.46Å; L184-D199 WeakPolarHBondContact O-CB 3.44Å; F189-D199 HydrophobicContact CE1-CB 4.46Å; F189-D199 HydrophobicContact CE2-CB 4.03Å; F189-D199 HydrophobicContact CZ-CB 3.7Å; Y194-D199 HydrophobicContact CD2-CB 3.93Å; Y194-D199 HydrophobicContact CE2-CB 3.83Å; Y194-D199 WeakPolarHBondContact CE2-O 3.37Å; Y194-D199 PolarHBondContact OH-O 2.93Å; R195-D199 VanDerWaalsContact CB-OD2 3.29Å; R195-D199 WeakPolarHBondContact CB-OD2 3.2Å; R195-D199 WeakPolarHBondContact CG-OD2 3.38Å; R195-D199 IonicContact CZ-OD1 3.15Å; R195-D199 IonicContact CZ-OD2 3.68Å; R195-D199 PolarHBondContact N-OD2 3.35Å; R195-D199 IonicContact NE-OD1 2.64Å; R195-D199 PolarHBondContact NE-OD1 2.93Å; R195-D199 IonicContact NE-OD2 3.35Å; R195-D199 PolarHBondContact NE-OD2 3.05Å; R195-D199 IonicContact NH2-OD1 2.59Å; R195-D199 PolarHBondContact NH2-OD1 2.93Å; R195-D199 IonicContact NH2-OD2 3.83Å; R195-D199 PolarHBondContact O-N 3.36Å; D199-R412 PolarHBondContact O-NH2 3.36Å
200	V	97.6	Very high	92.6	Very high	0 Å²	0	45 Å²	45	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	118.2	176.7	-174.8	0	0	0	0	109.1	L184 A185 K186 L202 F341 V405 I408 I409	L184-V200 PolarHBondContact O-N 2.97Å; A185-V200 CarbonylContact C-O 3.33Å; A185-V200 VanDerWaalsContact CA-O 3.3Å; A185-V200 WeakPolarHBondContact CA-O 3.32Å; A185-V200 HydrophobicContact CB-CB 4.33Å; K186-V200 PolarHBondContact N-O 2.96Å; V200-L202 HydrophobicContact CG1-CD2 4.41Å; V200-F341 HydrophobicContact CG1-CD1 3.72Å; V200-F341 HydrophobicContact CG1-CE1 3.75Å; V200-V405 HydrophobicContact CG1-CG2 4.04Å; V200-V405 HydrophobicContact CG2-CG1 4.41Å; V200-I408 HydrophobicContact CG1-CD1 4.15Å; V200-I408 HydrophobicContact CG2-CG2 4.1Å; V200-I409 HydrophobicContact CG2-CG1 4.39Å
201	S	97.2	Very high	92.5	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	128.5	176.5	-170.7	0	0	0	0	111.3	K186 V338 L339 P340 F341	K186-S201 WeakPolarHBondContact O-CA 3.06Å; S201-V338 PolarHBondContact OG-O 2.93Å; S201-L339 WeakPolarHBondContact CB-O 3.05Å; S201-L339 PolarHBondContact OG-O 3.04Å; S201-P340 CarbonylContact O-C 3.59Å; S201-P340 WeakPolarHBondContact O-CA 3.27Å; S201-F341 WeakPolarHBondContact O-CD1 3.37Å; S201-F341 PolarHBondContact O-N 3.3Å
202	L	96.7	Very high	92.2	Very high	1 Å²	1	46.8 Å²	46.8	1%	0.005	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	155.4	179.1	-59.6	-175.7	0	0	0	112.6	F160 L162 A185 K186 A187 V200 F341 I401 V405	F160-L202 HydrophobicContact CD1-CD1 3.98Å; L162-L202 HydrophobicContact CD2-CD1 4.41Å; A185-L202 VanDerWaalsContact C-CD1 3.47Å; A185-L202 HydrophobicContact CB-CD1 3.98Å; A185-L202 HydrophobicContact CB-CD2 4.31Å; A185-L202 HydrophobicContact CB-CG 4.22Å; A185-L202 WeakPolarHBondContact O-CD1 3.45Å; K186-L202 PolarHBondContact O-N 2.61Å; A187-L202 WeakPolarHBondContact CA-O 3.12Å; A187-L202 HydrophobicContact CB-CB 4.33Å; V200-L202 HydrophobicContact CG1-CD2 4.41Å; L202-F341 HydrophobicContact CD2-CE1 3.64Å; L202-F341 HydrophobicContact CD2-CZ 3.99Å; L202-I401 HydrophobicContact CD2-CG2 4.1Å; L202-V405 HydrophobicContact CD2-CG2 3.52Å
203	A	95.1	Very high	91.3	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	18%	0.177	C	C	.	.			trans	-76.6	147.6	163.8	0	0	0	0	0	109.8	F205 L321 P340 F395	A203-F205 PolarHBondContact O-N 3.13Å; A203-L321 HydrophobicContact CB-CD1 3.86Å; A203-L321 HydrophobicContact CB-CD2 3.5Å; A203-L321 HydrophobicContact CB-CG 3.8Å; A203-P340 VanDerWaalsContact CA-CG 3.43Å; A203-P340 HydrophobicContact CB-CB 3.98Å; A203-P340 HydrophobicContact CB-CG 3.6Å; A203-F395 HydrophobicContact CB-CD1 3.86Å; A203-F395 HydrophobicContact CB-CE1 3.83Å
204	L	94	Very high	90.1	Very high	14 Å²	14	41.8 Å²	41.8	7%	0.073	20%	0.196	C	C	.	.			trans	-77.7	120.5	170.9	-164.3	72.8	0	0	0	108.7	L162 Y163 A187 F318 L321	L162-L204 HydrophobicContact CB-CD1 3.99Å; L162-L204 WeakPolarHBondContact O-CD1 3.3Å; Y163-L204 HydrophobicContact CD1-CD1 3.97Å; Y163-L204 HydrophobicContact CE1-CD1 3.62Å; Y163-L204 HydrophobicContact CE1-CD2 4.24Å; Y163-L204 HydrophobicContact CE1-CG 4.21Å; A187-L204 HydrophobicContact CB-CB 4.46Å; A187-L204 HydrophobicContact CB-CD1 3.95Å; L204-F318 HydrophobicContact CB-CD1 4.26Å; L204-F318 HydrophobicContact CB-CE1 4.44Å; L204-F318 HydrophobicContact CD1-CE1 4.49Å; L204-F318 HydrophobicContact CD2-CD1 3.86Å; L204-F318 HydrophobicContact CD2-CD2 3.91Å; L204-F318 HydrophobicContact CD2-CE1 3.67Å; L204-F318 HydrophobicContact CD2-CE2 3.71Å; L204-F318 HydrophobicContact CD2-CG 3.99Å; L204-F318 HydrophobicContact CD2-CZ 3.6Å; L204-F318 HydrophobicContact CG-CD1 3.76Å; L204-F318 HydrophobicContact CG-CE1 3.5Å; L204-F318 HydrophobicContact CG-CE2 4.46Å; L204-F318 HydrophobicContact CG-CG 4.37Å; L204-F318 HydrophobicContact CG-CZ 3.9Å; L204-L321 WeakPolarHBondContact O-CD1 3.5Å
205	F	93.6	Very high	88.2	Confident	5 Å²	5	48.2 Å²	48.2	2%	0.022	22%	0.22	C	C	.	.			trans	-123.2	148.6	177.7	62.4	-94.9	0	0	0	111.7	I99 L162 Y163 A203 L209 F318 L321 V398 I401	I99-F205 HydrophobicContact CD1-CZ 4.13Å; I99-F205 HydrophobicContact CG1-CZ 4.41Å; L162-F205 HydrophobicContact CD1-CD1 4.19Å; L162-F205 HydrophobicContact CD1-CD2 4.22Å; L162-F205 HydrophobicContact CD1-CE1 3.88Å; L162-F205 HydrophobicContact CD1-CE2 3.9Å; L162-F205 HydrophobicContact CD1-CG 4.37Å; L162-F205 HydrophobicContact CD1-CZ 3.73Å; L162-F205 HydrophobicContact CD2-CD1 4.01Å; L162-F205 HydrophobicContact CD2-CE1 3.71Å; L162-F205 HydrophobicContact CD2-CZ 4.34Å; L162-F205 HydrophobicContact CG-CE1 4.35Å; Y163-F205 PolarHBondContact OH-O 3.18Å; A203-F205 PolarHBondContact O-N 3.13Å; F205-L209 HydrophobicContact CB-CB 4.44Å; F205-L209 HydrophobicContact CB-CD2 3.76Å; F205-L209 HydrophobicContact CD2-CB 4.3Å; F205-L209 HydrophobicContact CD2-CD2 3.98Å; F205-L209 HydrophobicContact CG-CD2 3.9Å; F205-F318 VanDerWaalsContact C-CE1 3.47Å; F205-F318 WeakPolarHBondContact O-CE1 2.98Å; F205-L321 HydrophobicContact CB-CD1 3.85Å; F205-V398 HydrophobicContact CD2-CG2 4.48Å; F205-V398 HydrophobicContact CE2-CG2 4.04Å; F205-I401 HydrophobicContact CB-CD1 4.49Å; F205-I401 HydrophobicContact CD1-CD1 3.58Å; F205-I401 HydrophobicContact CE1-CD1 3.92Å; F205-I401 HydrophobicContact CE1-CG2 4.43Å; F205-I401 HydrophobicContact CG-CD1 4.13Å
206	H	88.5	Confident	86	Confident	87 Å²	87	50 Å²	50	40%	0.403	23%	0.234	S	C	.	.			trans	-90	159.3	-178.5	-173.7	-101	0	0	0	110.9	I208 L209 F318	H206-I208 HydrophobicContact CB-CG2 4.03Å; H206-I208 VanDerWaalsContact ND1-CG2 3.35Å; H206-I208 WeakPolarHBondContact ND1-CG2 3.5Å; H206-I208 PolarHBondContact ND1-N 3.18Å; H206-I208 PolarHBondContact O-N 3.29Å; H206-L209 VanDerWaalsContact O-CB 3.28Å; H206-L209 WeakPolarHBondContact O-CB 2.92Å; H206-L209 PolarHBondContact O-N 3.23Å; H206-F318 HydrophobicContact CB-CD1 4.17Å; H206-F318 HydrophobicContact CB-CE1 4.06Å
207	Q	88.8	Confident	83.8	Confident	84 Å²	84	43.6 Å²	43.6	39%	0.393	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-23.9	178.8	67.1	-172	7.1	0	0	114	S95 K98 L209	S95-Q207 WeakPolarHBondContact OG-CA 3.45Å; K98-Q207 PolarHBondContact NZ-O 3.38Å; Q207-L209 PolarHBondContact O-N 2.62Å
208	I	88.7	Confident	81.4	Confident	114 Å²	114	41.4 Å²	41.4	59%	0.585	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66	-20.1	175.6	-162.4	169	0	0	0	112.8	H206	H206-I208 HydrophobicContact CB-CG2 4.03Å; H206-I208 VanDerWaalsContact ND1-CG2 3.35Å; H206-I208 WeakPolarHBondContact ND1-CG2 3.5Å; H206-I208 PolarHBondContact ND1-N 3.18Å; H206-I208 PolarHBondContact O-N 3.29Å
209	L	91	Very high	78.8	Confident	17 Å²	17	46.3 Å²	46.3	9%	0.089	24%	0.237	C	C	.	.	S	Bend	trans	-58.3	125.5	177.4	-167.4	74.8	0	0	0	108.7	K98 F205 H206 Q207 V398 I401	K98-L209 PolarHBondContact NZ-O 3.17Å; F205-L209 HydrophobicContact CB-CB 4.44Å; F205-L209 HydrophobicContact CB-CD2 3.76Å; F205-L209 HydrophobicContact CD2-CB 4.3Å; F205-L209 HydrophobicContact CD2-CD2 3.98Å; F205-L209 HydrophobicContact CG-CD2 3.9Å; H206-L209 VanDerWaalsContact O-CB 3.28Å; H206-L209 WeakPolarHBondContact O-CB 2.92Å; H206-L209 PolarHBondContact O-N 3.23Å; Q207-L209 PolarHBondContact O-N 2.62Å; L209-V398 HydrophobicContact CB-CG2 4.48Å; L209-V398 HydrophobicContact CD2-CG2 3.98Å; L209-V398 HydrophobicContact CG-CG2 4.37Å; L209-I401 HydrophobicContact CD2-CD1 3.75Å
210	P	90.6	Very high	76	Confident	24 Å²	24	52.9 Å²	52.9	16%	0.156	27%	0.272	C	S	.	.			trans	-69	156.7	-176.7	26.9	-33.9	0	0	0	111.5	G213 S397 V398	P210-G213 WeakPolarHBondContact CB-O 3.18Å; P210-G213 WeakPolarHBondContact CG-O 3.39Å; P210-S397 WeakPolarHBondContact O-CA 3.3Å; P210-S397 WeakPolarHBondContact O-CB 3.44Å; P210-V398 PolarHBondContact O-N 2.96Å
211	L	90	Very high	73.2	Confident	43 Å²	43	56 Å²	56	23%	0.225	29%	0.289	C	S	.	.	S	Bend	trans	-62.8	-45.9	173.5	178	61.4	0	0	0	111.2	K98 Q101 A102 D399	K98-L211 HydrophobicContact CB-CD1 3.89Å; K98-L211 HydrophobicContact CG-CB 4.18Å; K98-L211 HydrophobicContact CG-CD1 4.24Å; K98-L211 WeakPolarHBondContact O-CD1 3.11Å; Q101-L211 HydrophobicContact CB-CD1 4.27Å; Q101-L211 HydrophobicContact CB-CD2 4.23Å; Q101-L211 HydrophobicContact CG-CD2 3.66Å; A102-L211 HydrophobicContact CB-CD1 4Å; L211-D399 WeakPolarHBondContact O-CB 3.36Å; L211-D399 PolarHBondContact O-N 3.4Å
212	R	84.1	Confident	70.2	Confident	84 Å²	84	61.3 Å²	61.3	32%	0.317	32%	0.323	S	S	.	.	S	Bend	trans	-135	127.9	-177.1	-61.7	-176.4	-176.6	157.1	3.5	110.7	D105 N636 S637 Y639	D105-R212 IonicContact OD1-NH2 3.34Å; D105-R212 IonicContact OD2-CZ 2.71Å; D105-R212 IonicContact OD2-NH2 3.04Å; D105-R212 PolarHBondContact OD2-NH2 2.49Å; R212-N636 PolarHBondContact NH1-O 3.34Å; R212-S637 WeakPolarHBondContact CB-O 3.03Å; R212-S637 WeakPolarHBondContact CD-O 3.4Å; R212-Y639 HydrophobicContact CB-CD1 4.15Å; R212-Y639 HydrophobicContact CB-CE1 4.12Å; R212-Y639 WeakPolarHBondContact O-CD1 3.34Å
213	G	69.6	Low	67.3	Low	0 Å²	0	63.4 Å²	63.4	0%	0	34%	0.338	C	S	.	.	S	Bend	trans	51.7	172.2	174.6	0	0	0	0	0	116.1	P210 S397 Y639	P210-G213 WeakPolarHBondContact CB-O 3.18Å; P210-G213 WeakPolarHBondContact CG-O 3.39Å; G213-S397 VanDerWaalsContact N-CB 3.28Å; G213-S397 PolarHBondContact N-OG 2.94Å; G213-Y639 VanDerWaalsContact CA-CD1 3.48Å
214	P	61.8	Low	64.7	Low	68 Å²	68	67.1 Å²	67.1	44%	0.442	36%	0.358	S	S	.	.	S	Bend	trans	-65.2	140.8	169.3	27.8	-31.6	0	0	0	109.3	Y639	P214-Y639 WeakPolarHBondContact O-CB 3.48Å
215	R	51.9	Low	62.1	Low	166 Å²	166	73.7 Å²	73.7	63%	0.626	39%	0.388	S	S	*	.			trans	-54	140.5	176.7	-71.3	-176.6	-177.9	-176.3	-0.5	109.9	V217	R215-V217 WeakPolarHBondContact O-CG2 3.15Å; R215-V217 PolarHBondContact O-N 2.91Å
216	P	48.7	Very low	59.7	Low	54 Å²	54	75.6 Å²	75.6	35%	0.351	40%	0.401	S	S	.	.			trans	-66	102	169.2	24.1	-23.8	0	0	0	107.1	W535 L640	P216-W535 HydrophobicContact CB-CZ2 4.45Å; P216-L640 HydrophobicContact CB-CB 4.21Å
217	V	45.7	Very low	57.4	Low	68 Å²	68	74.6 Å²	74.6	41%	0.412	40%	0.404	S	S	.	.			trans	-83.6	133.3	174.3	-171.2	0	0	0	0	106.9	R215 D221 L224	R215-V217 WeakPolarHBondContact O-CG2 3.15Å; R215-V217 PolarHBondContact O-N 2.91Å; V217-D221 HydrophobicContact CG1-CB 3.85Å; V217-L224 HydrophobicContact CB-CD1 3.77Å; V217-L224 HydrophobicContact CG1-CD1 3.79Å; V217-L224 HydrophobicContact CG2-CD1 3.61Å
218	A	42.5	Very low	55.4	Low	40 Å²	40	72.3 Å²	72.3	33%	0.331	39%	0.392	S	S	.	.			trans	-58.2	140.1	172.1	0	0	0	0	0	109	N220 D221 Y528	A218-N220 PolarHBondContact O-N 2.72Å; A218-D221 PolarHBondContact O-N 3.37Å; A218-Y528 HydrophobicContact CB-CD1 4.01Å; A218-Y528 HydrophobicContact CB-CE1 4.12Å; A218-Y528 HydrophobicContact CB-CG 4.39Å
219	D	41.3	Very low	53.4	Low	104 Å²	104	71.7 Å²	71.7	56%	0.556	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.3	-1.6	-173.9	-81.9	-33.1	0	0	0	116.5
220	N	38.4	Very low	51.2	Low	137 Å²	137	76.4 Å²	76.4	73%	0.733	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.9	15.3	-178.6	-65.2	-9.7	0	0	0	114.2	A218 P222	A218-N220 PolarHBondContact O-N 2.72Å; N220-P222 WeakPolarHBondContact O-CD 3.29Å
221	D	38.7	Very low	49.4	Very low	66 Å²	66	77.6 Å²	77.6	35%	0.353	44%	0.439	S	S	.	.			trans	-102.7	88.6	167.4	-169.1	-0.7	0	0	0	110.9	V217 A218 S223 L224	V217-D221 HydrophobicContact CG1-CB 3.85Å; A218-D221 PolarHBondContact O-N 3.37Å; D221-S223 PolarHBondContact O-N 3.3Å; D221-S223 WeakPolarHBondContact OD1-CB 3.43Å; D221-S223 PolarHBondContact OD1-N 2.77Å; D221-S223 PolarHBondContact OD1-OG 2.78Å; D221-S223 PolarHBondContact OD2-OG 2.98Å; D221-L224 HydrophobicContact CB-CD1 4.16Å; D221-L224 PolarHBondContact O-N 3.28Å
222	P	33.6	Very low	48	Very low	111 Å²	111	80.9 Å²	80.9	72%	0.721	46%	0.463	S	S	*	.	G	3₁₀ helix	trans	-56.5	-12.3	175.2	2.4	-7.2	0	0	0	113.9	N220 L224	N220-P222 WeakPolarHBondContact O-CD 3.29Å; P222-L224 PolarHBondContact O-N 3.17Å
223	S	36	Very low	47.1	Very low	46 Å²	46	78.6 Å²	78.6	32%	0.322	46%	0.46	S	S	.	.	G	3₁₀ helix	trans	-74.1	-5.8	177.9	81.9	0	0	0	0	114.5	D221 Q302	D221-S223 PolarHBondContact O-N 3.3Å; D221-S223 WeakPolarHBondContact OD1-CB 3.43Å; D221-S223 PolarHBondContact OD1-N 2.77Å; D221-S223 PolarHBondContact OD1-OG 2.78Å; D221-S223 PolarHBondContact OD2-OG 2.98Å; S223-Q302 PolarHBondContact O-NE2 3.49Å
224	L	41.8	Very low	47.7	Very low	78 Å²	78	85 Å²	85	41%	0.408	49%	0.49	S	S	.	.	G	3₁₀ helix	trans	-108.2	-10.4	-176.4	-78.1	159.3	0	0	0	115.1	V217 D221 P222	V217-L224 HydrophobicContact CB-CD1 3.77Å; V217-L224 HydrophobicContact CG1-CD1 3.79Å; V217-L224 HydrophobicContact CG2-CD1 3.61Å; D221-L224 HydrophobicContact CB-CD1 4.16Å; D221-L224 PolarHBondContact O-N 3.28Å; P222-L224 PolarHBondContact O-N 3.17Å
225	E	39.3	Very low	49.1	Very low	151 Å²	151	83.6 Å²	83.6	71%	0.706	48%	0.476	S	S	*	.	S	Bend	trans	-60.6	129.5	165.6	-88.4	-77.7	156.8	0	0	108.9	S227	E225-S227 PolarHBondContact O-N 2.8Å
226	P	43	Very low	51.2	Low	46 Å²	46	76.7 Å²	76.7	30%	0.299	45%	0.451	S	S	.	.			trans	-69.3	70.9	175.1	-10.4	26.1	0	0	0	110.8	W228 V229	P226-W228 HydrophobicContact CB-CZ2 4.16Å; P226-W228 PolarHBondContact O-N 3.32Å; P226-V229 HydrophobicContact CB-CG2 4.32Å; P226-V229 PolarHBondContact O-N 3.1Å
227	S	39.5	Very low	53.4	Low	65 Å²	65	74.1 Å²	74.1	46%	0.455	44%	0.435	S	S	.	.	G	3₁₀ helix	trans	-58.7	-17.2	178	63.2	0	0	0	0	113.4	E225 V229 S230 A231	E225-S227 PolarHBondContact O-N 2.8Å; S227-V229 VanDerWaalsContact C-N 3.32Å; S227-V229 PolarHBondContact O-N 3.4Å; S227-S230 PolarHBondContact O-N 3.48Å; S227-A231 PolarHBondContact O-N 2.84Å
228	W	47.5	Very low	55.7	Low	37 Å²	37	71.1 Å²	71.1	14%	0.14	42%	0.416	C	S	.	.	G	3₁₀ helix	trans	-77.4	-6.6	-177.1	58.6	-89.8	0	0	0	115.3	P226 L385	P226-W228 HydrophobicContact CB-CZ2 4.16Å; P226-W228 PolarHBondContact O-N 3.32Å; W228-L385 HydrophobicContact CH2-CD2 3.69Å; W228-L385 HydrophobicContact CZ3-CD2 3.77Å; W228-L385 HydrophobicContact CZ3-CG 4.24Å
229	V	47.2	Very low	58.2	Low	100 Å²	100	69.3 Å²	69.3	61%	0.606	40%	0.401	S	S	*	.	G	3₁₀ helix	trans	-78.2	-14.7	174.7	-176.3	0	0	0	0	111.3	P226 S227	P226-V229 HydrophobicContact CB-CG2 4.32Å; P226-V229 PolarHBondContact O-N 3.1Å; S227-V229 VanDerWaalsContact C-N 3.32Å; S227-V229 PolarHBondContact O-N 3.4Å
230	S	44.1	Very low	60.6	Low	117 Å²	117	65.2 Å²	65.2	82%	0.818	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-131.9	-13	-176.1	-52.8	0	0	0	0	115.1	S227	S227-S230 PolarHBondContact O-N 3.48Å
231	A	52.4	Low	63.1	Low	49 Å²	49	59.2 Å²	59.2	41%	0.405	35%	0.349	S	S	.	.	S	Bend	trans	-104.1	129.4	177.7	0	0	0	0	0	111.9	S227 S233	S227-A231 PolarHBondContact O-N 2.84Å; A231-S233 PolarHBondContact O-N 2.8Å
232	P	60.8	Low	65.4	Low	112 Å²	112	61 Å²	61	73%	0.727	35%	0.353	S	S	*	.			trans	-54.8	133.2	167.8	-19.2	29.8	0	0	0	109.9	H234	P232-H234 PolarHBondContact O-CD2 3.1Å; P232-H234 PolarHBondContact O-N 3.46Å
233	S	66	Low	67.8	Low	36 Å²	36	56 Å²	56	25%	0.252	32%	0.32	S	S	.	.			trans	-63.4	126.8	174.1	-65.3	0	0	0	0	109.9	A231 Y235 N303 S305	A231-S233 PolarHBondContact O-N 2.8Å; S233-Y235 VanDerWaalsContact C-N 3.29Å; S233-Y235 PolarHBondContact O-N 3.1Å; S233-N303 CarbonylContact C-O 3.54Å; S233-S305 WeakPolarHBondContact CB-OG 3.39Å
234	H	81.5	Confident	69.6	Low	135 Å²	135	55.4 Å²	55.4	63%	0.625	31%	0.311	S	S	*	.	S	Bend	trans	-69.4	-29.6	-179	-67.8	-169.6	0	0	0	112.1	P232 N303	P232-H234 PolarHBondContact O-CD2 3.1Å; P232-H234 PolarHBondContact O-N 3.46Å; H234-N303 PolarHBondContact N-O 2.98Å
235	Y	92	Very high	71	Confident	38 Å²	38	53.7 Å²	53.7	15%	0.149	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	141.3	-177.8	-55.3	-68.3	0	0	0	111.9	S233 V238 I266 W295 L300 N303 S304 S305	S233-Y235 VanDerWaalsContact C-N 3.29Å; S233-Y235 PolarHBondContact O-N 3.1Å; Y235-V238 HydrophobicContact CD2-CG1 4.38Å; Y235-V238 HydrophobicContact CG-CG1 4.11Å; Y235-I266 HydrophobicContact CD1-CD1 4.13Å; Y235-I266 HydrophobicContact CD1-CG1 3.55Å; Y235-I266 HydrophobicContact CE1-CD1 3.97Å; Y235-I266 HydrophobicContact CE1-CG1 3.66Å; Y235-I266 HydrophobicContact CG-CG1 4.21Å; Y235-W295 PolarHBondContact OH-NE1 2.81Å; Y235-L300 HydrophobicContact CD2-CD2 4.26Å; Y235-L300 HydrophobicContact CE2-CD2 3.91Å; Y235-N303 HydrophobicContact CD2-CB 4.34Å; Y235-N303 PolarHBondContact N-O 3.13Å; Y235-N303 VanDerWaalsContact N-O 3.07Å; Y235-S304 WeakPolarHBondContact CB-OG 2.84Å; Y235-S304 WeakPolarHBondContact O-CA 3.48Å; Y235-S305 PolarHBondContact O-N 2.78Å
236	L	94.3	Very high	72.5	Confident	21 Å²	21	51.1 Å²	51.1	11%	0.11	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	-56.4	172.7	176.7	70	0	0	0	110.1	D264 V265 F306 L372 R373	L236-D264 HydrophobicContact CB-CB 4.03Å; L236-D264 PolarHBondContact N-O 2.62Å; L236-V265 HydrophobicContact CD2-CG2 4.32Å; L236-F306 HydrophobicContact CD1-CD2 3.92Å; L236-F306 HydrophobicContact CD1-CE2 3.99Å; L236-F306 HydrophobicContact CG-CD2 4.49Å; L236-F306 VanDerWaalsContact O-CB 3.28Å; L236-F306 WeakPolarHBondContact O-CB 3.48Å; L236-F306 VanDerWaalsContact O-CD2 3.31Å; L236-F306 WeakPolarHBondContact O-CD2 3.25Å; L236-F306 PolarHBondContact O-N 3.26Å; L236-L372 HydrophobicContact CD1-CB 4.13Å; L236-L372 HydrophobicContact CD2-CB 4.31Å; L236-L372 HydrophobicContact CG-CB 4.35Å; L236-R373 HydrophobicContact CD1-CG 4.34Å; L236-R373 HydrophobicContact CD2-CG 3.49Å; L236-R373 VanDerWaalsContact CD2-CG 3.49Å
237	L	95.3	Very high	73.7	Confident	0 Å²	0	51 Å²	51	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	127	-170.6	177.1	67.9	0	0	0	111.1	D264 V265 I266 M267 F306 L308 V331 I368 L372	L237-D264 PolarHBondContact N-O 3.4Å; L237-D264 VanDerWaalsContact N-O 3.13Å; L237-V265 HydrophobicContact CB-CG1 4.24Å; L237-V265 HydrophobicContact CB-CG2 4.38Å; L237-V265 HydrophobicContact CD2-CG1 4.19Å; L237-V265 HydrophobicContact CG-CG1 4.46Å; L237-V265 CarbonylContact O-C 3.23Å; L237-V265 VanDerWaalsContact O-CA 3.3Å; L237-V265 WeakPolarHBondContact O-CA 3.32Å; L237-I266 PolarHBondContact O-N 3.44Å; L237-M267 HydrophobicContact CB-CE 4.5Å; L237-M267 HydrophobicContact CD2-CE 3.53Å; L237-M267 HydrophobicContact CG-CE 3.59Å; L237-F306 WeakPolarHBondContact CA-O 3.49Å; L237-F306 HydrophobicContact CD1-CB 3.75Å; L237-L308 HydrophobicContact CD1-CB 4.01Å; L237-L308 HydrophobicContact CD1-CD1 4.28Å; L237-L308 HydrophobicContact CD2-CD1 4.34Å; L237-V331 HydrophobicContact CD1-CB 4.34Å; L237-V331 HydrophobicContact CD1-CG2 3.92Å; L237-I368 HydrophobicContact CD2-CG2 3.94Å; L237-L372 HydrophobicContact CB-CD1 3.99Å; L237-L372 HydrophobicContact CD1-CD1 3.84Å; L237-L372 HydrophobicContact CD2-CD1 3.85Å; L237-L372 HydrophobicContact CG-CD1 4.1Å
238	V	95.1	Very high	75	Confident	4 Å²	4	51.6 Å²	51.6	2%	0.024	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	152	179.4	-60.7	0	0	0	0	114.7	Y235 I266 L300 S304 F306 L308	Y235-V238 HydrophobicContact CD2-CG1 4.38Å; Y235-V238 HydrophobicContact CG-CG1 4.11Å; V238-I266 CarbonylContact C-O 3.52Å; V238-I266 VanDerWaalsContact CA-O 3.28Å; V238-I266 WeakPolarHBondContact CA-O 3.42Å; V238-I266 HydrophobicContact CG1-CB 4.06Å; V238-I266 HydrophobicContact CG1-CG1 4.38Å; V238-L300 HydrophobicContact CG1-CD2 4.45Å; V238-S304 WeakPolarHBondContact CG1-OG 3.29Å; V238-S304 WeakPolarHBondContact CG2-OG 3.41Å; V238-F306 PolarHBondContact N-O 3.04Å; V238-L308 PolarHBondContact O-N 2.92Å
239	F	94.2	Very high	76.2	Confident	2 Å²	2	50.3 Å²	50.3	1%	0.009	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	132.6	166.6	173.5	-76.2	0	0	0	108.2	L256 I266 M267 L268 T269 L308 P310 R319	F239-L256 HydrophobicContact CD1-CD1 3.98Å; F239-L256 HydrophobicContact CD2-CD1 3.46Å; F239-L256 VanDerWaalsContact CD2-CD1 3.46Å; F239-L256 HydrophobicContact CE1-CD1 3.8Å; F239-L256 HydrophobicContact CE2-CD1 3.26Å; F239-L256 HydrophobicContact CG-CD1 3.88Å; F239-L256 HydrophobicContact CZ-CD1 3.44Å; F239-L256 VanDerWaalsContact CZ-CD1 3.44Å; F239-I266 PolarHBondContact N-O 3.41Å; F239-M267 HydrophobicContact CB-CE 4.44Å; F239-M267 HydrophobicContact CB-SD 3.45Å; F239-M267 WeakPolarHBondContact CB-SD 3.41Å; F239-M267 HydrophobicContact CG-SD 4.35Å; F239-L268 VanDerWaalsContact CD1-O 3.3Å; F239-L268 WeakPolarHBondContact CD1-O 3.32Å; F239-L268 WeakPolarHBondContact CE1-O 3.34Å; F239-L268 PolarHBondContact O-N 2.88Å; F239-T269 HydrophobicContact CD1-CG2 4.29Å; F239-T269 HydrophobicContact CE1-CG2 3.83Å; F239-L308 HydrophobicContact CB-CB 4.24Å; F239-L308 HydrophobicContact CD2-CD2 4.4Å; F239-P310 HydrophobicContact CD2-CG 3.84Å; F239-P310 HydrophobicContact CE2-CG 3.48Å; F239-P310 VanDerWaalsContact CE2-CG 3.48Å; F239-R319 VanDerWaalsContact CE2-CZ 3.45Å; F239-R319 VanDerWaalsContact CE2-NH2 3.29Å
240	K	92.7	Very high	77.6	Confident	19 Å²	19	46.5 Å²	46.5	8%	0.083	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	126.7	163.7	-178.6	180	170.5	97.4	0	108.6	L268 Y292 W295 Y297 L300	K240-L268 VanDerWaalsContact CA-O 3.27Å; K240-L268 WeakPolarHBondContact CA-O 3.24Å; K240-L268 HydrophobicContact CB-CB 4.35Å; K240-L268 HydrophobicContact CG-CB 4.22Å; K240-Y292 HydrophobicContact CD-CE2 4.26Å; K240-Y292 HydrophobicContact CG-CD2 3.99Å; K240-Y292 HydrophobicContact CG-CE2 3.41Å; K240-Y292 VanDerWaalsContact CG-CE2 3.41Å; K240-Y292 PolarHBondContact NZ-O 2.79Å; K240-W295 WeakPolarHBondContact CE-O 3.46Å; K240-W295 PolarHBondContact NZ-O 3.38Å; K240-Y297 HydrophobicContact CB-CD2 3.98Å; K240-Y297 HydrophobicContact CB-CE2 4.38Å; K240-Y297 HydrophobicContact CD-CD2 4.1Å; K240-Y297 HydrophobicContact CG-CD2 4.22Å; K240-L300 HydrophobicContact CB-CD1 4.16Å; K240-L300 HydrophobicContact CD-CD1 3.99Å
241	G	90.4	Very high	79.2	Confident	11 Å²	11	46.4 Å²	46.4	11%	0.113	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	173.6	-177.7	176.8	0	0	0	0	0	115.8	L268 T269 T270	G241-L268 PolarHBondContact N-O 2.87Å; G241-L268 VanDerWaalsContact N-O 3.09Å; G241-T269 CarbonylContact O-C 3.41Å; G241-T269 WeakPolarHBondContact O-CA 3.37Å; G241-T270 PolarHBondContact O-N 3.3Å
242	K	86.4	Confident	80.6	Confident	103 Å²	103	44.4 Å²	44.4	45%	0.448	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	141.9	-178.7	-57.9	-175.8	-178.5	178	0	111.9	T270 H273	K242-T270 WeakPolarHBondContact CA-O 3.27Å; K242-T270 HydrophobicContact CG-CG2 4.06Å; K242-H273 HydrophobicContact CB-CB 4.42Å; K242-H273 HydrophobicContact CD-CB 4.2Å; K242-H273 WeakPolarHBondContact CD-CD2 3.44Å
243	R	84.5	Confident	81.7	Confident	7 Å²	7	39.6 Å²	39.6	3%	0.026	21%	0.208	C	C	.	.			trans	-99	125.1	172	-172.2	162	69.2	82.4	-11	109.3	V245 R253 N254 T270 C271 D282 C285 D288	R243-V245 PolarHBondContact O-N 3.21Å; R243-R253 HydrophobicContact CG-CB 4.48Å; R243-N254 WeakPolarHBondContact CD-OD1 3.2Å; R243-N254 WeakPolarHBondContact CG-OD1 3.21Å; R243-N254 PolarHBondContact NH1-OD1 2.83Å; R243-T270 PolarHBondContact N-O 3.42Å; R243-C271 PolarHBondContact NH2-SG 3.17Å; R243-D282 IonicContact CZ-OD1 3.82Å; R243-D282 IonicContact CZ-OD2 3.21Å; R243-D282 IonicContact NH1-OD2 2.71Å; R243-D282 PolarHBondContact NH1-OD2 2.95Å; R243-D282 IonicContact NH2-OD1 2.75Å; R243-D282 PolarHBondContact NH2-OD1 3.2Å; R243-D282 IonicContact NH2-OD2 2.86Å; R243-D282 PolarHBondContact NH2-OD2 3.12Å; R243-C285 PolarHBondContact NH2-SG 3.11Å; R243-D288 IonicContact CZ-OD2 3.15Å; R243-D288 IonicContact NE-OD2 3.51Å; R243-D288 PolarHBondContact NE-OD2 3.48Å; R243-D288 IonicContact NH2-OD2 3.2Å; R243-D288 PolarHBondContact NH2-OD2 3.17Å; R243-D288 VanDerWaalsContact NH2-OD2 3.15Å
244	Y	74.1	Confident	82.5	Confident	32 Å²	32	40.1 Å²	40.1	13%	0.125	21%	0.208	C	C	.	.			trans	-84	110.5	174.2	-48.1	-62.6	0	0	0	107.3	F246 S250 R253 H273 R313	Y244-F246 PolarHBondContact O-N 2.85Å; Y244-S250 WeakPolarHBondContact O-CA 3.49Å; Y244-S250 WeakPolarHBondContact O-CB 2.71Å; Y244-R253 HydrophobicContact CD2-CB 4.41Å; Y244-R253 HydrophobicContact CD2-CG 3.75Å; Y244-R253 HydrophobicContact CE2-CG 3.9Å; Y244-H273 AromaticContact CE1-CD2 3.87Å; Y244-H273 AromaticContact CE1-NE2 3.74Å; Y244-R313 HydrophobicContact CE1-CG 4.44Å; Y244-R313 VanDerWaalsContact CE1-NH1 3.29Å
245	V	71.4	Confident	82.6	Confident	43 Å²	43	34.1 Å²	34.1	26%	0.261	18%	0.181	S	C	.	.	S	Bend	trans	-71.1	-27.8	178.8	-173.7	0	0	0	0	110.9	R243 N280	R243-V245 PolarHBondContact O-N 3.21Å; V245-N280 HydrophobicContact CB-CB 4.34Å; V245-N280 WeakPolarHBondContact CG1-O 3.35Å; V245-N280 WeakPolarHBondContact CG2-O 3.47Å
246	F	70.6	Confident	82.5	Confident	97 Å²	97	32.3 Å²	32.3	43%	0.425	17%	0.174	S	C	.	.	S	Bend	trans	-136.6	163.2	175.9	64.3	-84.9	0	0	0	111.4	Y244 N280	Y244-F246 PolarHBondContact O-N 2.85Å; F246-N280 HydrophobicContact CD1-CB 4.06Å; F246-N280 HydrophobicContact CE1-CB 4.12Å; F246-N280 VanDerWaalsContact CE1-ND2 3.35Å; F246-N280 WeakPolarHBondContact CE1-ND2 3.18Å
247	G	68.7	Low	81.9	Confident	43 Å²	43	35.5 Å²	35.5	44%	0.443	19%	0.186	S	C	.	.	S	Bend	trans	83.9	-177	174.8	0	0	0	0	0	115.2	G249 S250	G247-G249 PolarHBondContact O-N 3.22Å; G247-S250 VanDerWaalsContact O-CB 3.24Å; G247-S250 WeakPolarHBondContact O-CB 3.45Å; G247-S250 PolarHBondContact O-N 2.99Å; G247-S250 VanDerWaalsContact O-N 3.09Å; G247-S250 PolarHBondContact O-OG 3.37Å
248	I	66.8	Low	81.3	Confident	77 Å²	77	38.8 Å²	38.8	40%	0.395	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	128.3	-174.9	-62.5	175.6	0	0	0	111.1	N169	N169-I248 WeakPolarHBondContact O-CD1 3.49Å
249	G	72.3	Confident	81	Confident	11 Å²	11	39.1 Å²	39.1	11%	0.113	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	89.7	-3	-178.8	0	0	0	0	0	114.6	G247 R253	G247-G249 PolarHBondContact O-N 3.22Å; G249-R253 WeakPolarHBondContact O-CB 3.45Å; G249-R253 VanDerWaalsContact O-CG 3.3Å; G249-R253 WeakPolarHBondContact O-CG 3.48Å; G249-R253 PolarHBondContact O-N 2.59Å; G249-R253 VanDerWaalsContact O-N 3.12Å
250	S	75.5	Confident	80.8	Confident	20 Å²	20	41 Å²	41	14%	0.14	21%	0.211	C	C	.	.	H	α-helix	trans	-59.2	-49.4	175.9	61.2	0	0	0	0	112	Y244 G247 T252 R253 N254	Y244-S250 WeakPolarHBondContact O-CA 3.49Å; Y244-S250 WeakPolarHBondContact O-CB 2.71Å; G247-S250 VanDerWaalsContact O-CB 3.24Å; G247-S250 WeakPolarHBondContact O-CB 3.45Å; G247-S250 PolarHBondContact O-N 2.99Å; G247-S250 VanDerWaalsContact O-N 3.09Å; G247-S250 PolarHBondContact O-OG 3.37Å; S250-T252 PolarHBondContact O-N 3.04Å; S250-R253 PolarHBondContact O-N 2.92Å; S250-N254 WeakPolarHBondContact O-CB 3.33Å; S250-N254 PolarHBondContact O-N 2.87Å; S250-N254 PolarHBondContact O-ND2 3.07Å
251	E	78.3	Confident	80.7	Confident	114 Å²	114	43.4 Å²	43.4	53%	0.533	23%	0.225	S	C	.	.	H	α-helix	trans	-53.8	-54.2	179.7	-66.1	168.9	-176.9	0	0	111.7	R48 R253 N254 A255 F360	R48-E251 IonicContact NH2-OE2 2.64Å; E251-R253 PolarHBondContact O-N 3.33Å; E251-N254 PolarHBondContact O-N 2.79Å; E251-A255 WeakPolarHBondContact O-CB 3.35Å; E251-A255 PolarHBondContact O-N 2.71Å; E251-F360 HydrophobicContact CB-CE1 3.98Å; E251-F360 HydrophobicContact CB-CZ 4.02Å
252	T	81.3	Confident	80.6	Confident	8 Å²	8	48 Å²	48	5%	0.049	25%	0.247	C	C	.	.	H	α-helix	trans	-59.9	-45.4	179.5	-50.7	0	0	0	0	111.4	S250 A255 L256 P310 L333 E356 L359	S250-T252 PolarHBondContact O-N 3.04Å; T252-A255 PolarHBondContact O-N 2.69Å; T252-L256 WeakPolarHBondContact O-CG 3.48Å; T252-P310 HydrophobicContact CG2-CB 3.91Å; T252-L333 HydrophobicContact CG2-CD2 4.42Å; T252-E356 PolarHBondContact OG1-OE1 2.67Å; T252-L359 HydrophobicContact CG2-CD1 3.63Å
253	R	83.7	Confident	80.8	Confident	10 Å²	10	52.8 Å²	52.8	4%	0.038	26%	0.262	C	S	.	.	H	α-helix	trans	-71.3	-36.2	-178.4	-68.7	-73.5	174.7	142	-9	112.3	R243 Y244 G249 S250 E251 A255 L256 P310 R311 R319	R243-R253 HydrophobicContact CG-CB 4.48Å; Y244-R253 HydrophobicContact CD2-CB 4.41Å; Y244-R253 HydrophobicContact CD2-CG 3.75Å; Y244-R253 HydrophobicContact CE2-CG 3.9Å; G249-R253 WeakPolarHBondContact O-CB 3.45Å; G249-R253 VanDerWaalsContact O-CG 3.3Å; G249-R253 WeakPolarHBondContact O-CG 3.48Å; G249-R253 PolarHBondContact O-N 2.59Å; G249-R253 VanDerWaalsContact O-N 3.12Å; S250-R253 PolarHBondContact O-N 2.92Å; E251-R253 PolarHBondContact O-N 3.33Å; R253-A255 VanDerWaalsContact C-N 3.29Å; R253-L256 PolarHBondContact O-N 2.8Å; R253-P310 PolarHBondContact NH2-O 2.94Å; R253-R311 PolarHBondContact NE-O 3.26Å; R253-R311 PolarHBondContact NH2-O 3.48Å; R253-R319 VanDerWaalsContact NH2-NH2 3.11Å
254	N	83	Confident	81.2	Confident	47 Å²	47	53.8 Å²	53.8	25%	0.251	27%	0.268	S	S	.	.	H	α-helix	trans	-67.6	-29.4	175.4	-75.3	-16	0	0	0	111.6	R243 S250 E251 Y257	R243-N254 WeakPolarHBondContact CD-OD1 3.2Å; R243-N254 WeakPolarHBondContact CG-OD1 3.21Å; R243-N254 PolarHBondContact NH1-OD1 2.83Å; S250-N254 WeakPolarHBondContact O-CB 3.33Å; S250-N254 PolarHBondContact O-N 2.87Å; S250-N254 PolarHBondContact O-ND2 3.07Å; E251-N254 PolarHBondContact O-N 2.79Å; N254-Y257 WeakPolarHBondContact O-CD1 3.44Å; N254-Y257 VanDerWaalsContact O-CE1 3.25Å; N254-Y257 WeakPolarHBondContact O-CE1 3.47Å
255	A	85.1	Confident	82.1	Confident	9 Å²	9	52.2 Å²	52.2	7%	0.074	26%	0.262	C	S	.	.	H	α-helix	trans	-80.6	-15.1	178.7	0	0	0	0	0	114.2	E251 T252 R253 Y257 H258 L359 F360	E251-A255 WeakPolarHBondContact O-CB 3.35Å; E251-A255 PolarHBondContact O-N 2.71Å; T252-A255 PolarHBondContact O-N 2.69Å; R253-A255 VanDerWaalsContact C-N 3.29Å; A255-Y257 VanDerWaalsContact C-N 3.28Å; A255-Y257 PolarHBondContact O-N 2.93Å; A255-H258 WeakPolarHBondContact O-CB 3.37Å; A255-H258 PolarHBondContact O-CD2 3.46Å; A255-H258 VanDerWaalsContact O-CD2 3.31Å; A255-H258 PolarHBondContact O-N 3.36Å; A255-H258 VanDerWaalsContact O-N 3.13Å; A255-L359 HydrophobicContact CB-CB 3.99Å; A255-L359 HydrophobicContact CB-CD1 4.33Å; A255-F360 HydrophobicContact CB-CD1 4.29Å; A255-F360 HydrophobicContact CB-CE1 3.98Å
256	L	87.9	Confident	83.1	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	25%	0.25	C	S	.	.	G	3₁₀ helix	trans	-61.4	-33.4	-171.2	-66.4	-178.8	0	0	0	114.3	F239 T252 R253 H258 L259 M267 L308 P310 L333 L359	F239-L256 HydrophobicContact CD1-CD1 3.98Å; F239-L256 HydrophobicContact CD2-CD1 3.46Å; F239-L256 VanDerWaalsContact CD2-CD1 3.46Å; F239-L256 HydrophobicContact CE1-CD1 3.8Å; F239-L256 HydrophobicContact CE2-CD1 3.26Å; F239-L256 HydrophobicContact CG-CD1 3.88Å; F239-L256 HydrophobicContact CZ-CD1 3.44Å; F239-L256 VanDerWaalsContact CZ-CD1 3.44Å; T252-L256 WeakPolarHBondContact O-CG 3.48Å; R253-L256 PolarHBondContact O-N 2.8Å; L256-H258 PolarHBondContact O-N 2.67Å; L256-H258 VanDerWaalsContact O-N 3.13Å; L256-L259 WeakPolarHBondContact O-CB 3.37Å; L256-L259 PolarHBondContact O-N 3.09Å; L256-M267 WeakPolarHBondContact O-CG 3.5Å; L256-L308 HydrophobicContact CD2-CD2 3.49Å; L256-L308 VanDerWaalsContact CD2-CD2 3.49Å; L256-P310 HydrophobicContact CD1-CG 3.98Å; L256-P310 HydrophobicContact CD2-CG 4.42Å; L256-L333 HydrophobicContact CD2-CD2 4.16Å; L256-L359 HydrophobicContact CD2-CD1 4.15Å
257	Y	81.9	Confident	84.2	Confident	88 Å²	88	46 Å²	46	35%	0.345	23%	0.232	S	C	.	.	G	3₁₀ helix	trans	-60.9	-25	-179.4	79.1	-84.7	0	0	0	113.7	N254 A255 L259 H260	N254-Y257 WeakPolarHBondContact O-CD1 3.44Å; N254-Y257 VanDerWaalsContact O-CE1 3.25Å; N254-Y257 WeakPolarHBondContact O-CE1 3.47Å; A255-Y257 VanDerWaalsContact C-N 3.28Å; A255-Y257 PolarHBondContact O-N 2.93Å; Y257-L259 PolarHBondContact O-N 3.18Å; Y257-H260 VanDerWaalsContact O-CB 3.23Å; Y257-H260 WeakPolarHBondContact O-CB 3.27Å; Y257-H260 PolarHBondContact O-N 3.34Å
258	H	84.1	Confident	85.3	Confident	70 Å²	70	44 Å²	44	32%	0.324	21%	0.211	S	C	.	.	G	3₁₀ helix	trans	-59.5	-33	176.6	-69	-59.5	0	0	0	109.2	A255 L256 H260 K365	A255-H258 WeakPolarHBondContact O-CB 3.37Å; A255-H258 PolarHBondContact O-CD2 3.46Å; A255-H258 VanDerWaalsContact O-CD2 3.31Å; A255-H258 PolarHBondContact O-N 3.36Å; A255-H258 VanDerWaalsContact O-N 3.13Å; L256-H258 PolarHBondContact O-N 2.67Å; L256-H258 VanDerWaalsContact O-N 3.13Å; H258-H260 PolarHBondContact O-N 3.17Å; H258-K365 HydrophobicContact CB-CD 4.17Å; H258-K365 HydrophobicContact CB-CG 4.24Å; H258-K365 WeakPolarHBondContact O-CE 3.48Å; H258-K365 PolarHBondContact O-NZ 3.49Å
259	L	88.5	Confident	86.5	Confident	10 Å²	10	40.5 Å²	40.5	5%	0.052	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-70.7	-17.9	177.2	-56.2	177.6	0	0	0	113.7	L256 Y257 V265 M267 L308 L359 K365 I368	L256-L259 WeakPolarHBondContact O-CB 3.37Å; L256-L259 PolarHBondContact O-N 3.09Å; Y257-L259 PolarHBondContact O-N 3.18Å; L259-V265 HydrophobicContact CB-CG1 4.38Å; L259-V265 WeakPolarHBondContact O-CG1 2.96Å; L259-M267 HydrophobicContact CB-CE 4.09Å; L259-M267 HydrophobicContact CB-CG 3.91Å; L259-M267 HydrophobicContact CB-SD 4.24Å; L259-M267 HydrophobicContact CD1-CE 4.23Å; L259-M267 HydrophobicContact CD1-SD 4.35Å; L259-L308 HydrophobicContact CD1-CD2 4.1Å; L259-L359 HydrophobicContact CD1-CD2 3.78Å; L259-L359 HydrophobicContact CD2-CD2 4.26Å; L259-L359 HydrophobicContact CG-CD2 4.1Å; L259-K365 WeakPolarHBondContact CD2-O 3.5Å; L259-I368 HydrophobicContact CD1-CD1 4.38Å
260	H	90.3	Very high	87.3	Confident	43 Å²	43	40.2 Å²	40.2	20%	0.199	19%	0.189	C	C	.	.			trans	-67.1	133.4	-176.5	-170.3	46.3	0	0	0	112	Y257 H258 N262 V265 I266 M267	Y257-H260 VanDerWaalsContact O-CB 3.23Å; Y257-H260 WeakPolarHBondContact O-CB 3.27Å; Y257-H260 PolarHBondContact O-N 3.34Å; H258-H260 PolarHBondContact O-N 3.17Å; H260-N262 PolarHBondContact CE1-N 2.73Å; H260-V265 PolarHBondContact ND1-O 3.4Å; H260-I266 WeakPolarHBondContact ND1-CA 3.04Å; H260-M267 HydrophobicContact CB-CB 4.03Å; H260-M267 HydrophobicContact CB-CG 4.28Å; H260-M267 PolarHBondContact ND1-N 2.67Å
261	N	90.6	Very high	87.8	Confident	69 Å²	69	39.4 Å²	39.4	37%	0.369	18%	0.183	S	C	.	.			trans	-129	6.5	177	73.7	-2.6	0	0	0	114.5	R263 D264 V265	N261-R263 PolarHBondContact O-N 3.26Å; N261-R263 PolarHBondContact OD1-N 3.5Å; N261-D264 PolarHBondContact ND2-OD1 2.89Å; N261-D264 PolarHBondContact OD1-N 3.34Å; N261-V265 PolarHBondContact N-O 3.26Å; N261-V265 VanDerWaalsContact N-O 3.09Å; N261-V265 WeakPolarHBondContact OD1-CA 3.5Å; N261-V265 PolarHBondContact OD1-N 3.33Å; N261-V265 PolarHBondContact OD1-O 2.97Å
262	N	87.9	Confident	88.2	Confident	108 Å²	108	38.4 Å²	38.4	58%	0.578	18%	0.177	S	C	*	.	S	Bend	trans	53.3	23.8	-179.2	-155.6	44	0	0	0	115.3	H260	H260-N262 PolarHBondContact CE1-N 2.73Å
263	R	90.5	Very high	88	Confident	202 Å²	202	40.5 Å²	40.5	76%	0.762	19%	0.186	S	C	*	.	S	Bend	trans	-125.6	-86.1	177.8	-177	-175.5	177	177.5	0	110.7	N261	N261-R263 PolarHBondContact O-N 3.26Å; N261-R263 PolarHBondContact OD1-N 3.5Å
264	D	92	Very high	87.4	Confident	28 Å²	28	42.4 Å²	42.4	15%	0.15	21%	0.209	C	C	.	.	S	Bend	trans	-111.4	-9.1	-177.3	64	-27.8	0	0	0	112.4	L236 L237 N261 R373	L236-D264 HydrophobicContact CB-CB 4.03Å; L236-D264 PolarHBondContact N-O 2.62Å; L237-D264 PolarHBondContact N-O 3.4Å; L237-D264 VanDerWaalsContact N-O 3.13Å; N261-D264 PolarHBondContact ND2-OD1 2.89Å; N261-D264 PolarHBondContact OD1-N 3.34Å; D264-R373 VanDerWaalsContact CG-NH2 3.33Å; D264-R373 IonicContact OD1-NH2 2.97Å; D264-R373 PolarHBondContact OD1-NH2 3.45Å; D264-R373 IonicContact OD2-CZ 3.64Å; D264-R373 IonicContact OD2-NE 2.68Å; D264-R373 PolarHBondContact OD2-NE 2.86Å; D264-R373 IonicContact OD2-NH2 2.94Å; D264-R373 PolarHBondContact OD2-NH2 3.06Å
265	V	93.6	Very high	87.2	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	102.6	177.2	-173.6	0	0	0	0	110.2	L236 L237 L259 H260 N261 M267 P369	L236-V265 HydrophobicContact CD2-CG2 4.32Å; L237-V265 HydrophobicContact CB-CG1 4.24Å; L237-V265 HydrophobicContact CB-CG2 4.38Å; L237-V265 HydrophobicContact CD2-CG1 4.19Å; L237-V265 HydrophobicContact CG-CG1 4.46Å; L237-V265 CarbonylContact O-C 3.23Å; L237-V265 VanDerWaalsContact O-CA 3.3Å; L237-V265 WeakPolarHBondContact O-CA 3.32Å; L259-V265 HydrophobicContact CB-CG1 4.38Å; L259-V265 WeakPolarHBondContact O-CG1 2.96Å; H260-V265 PolarHBondContact ND1-O 3.4Å; N261-V265 PolarHBondContact N-O 3.26Å; N261-V265 VanDerWaalsContact N-O 3.09Å; N261-V265 WeakPolarHBondContact OD1-CA 3.5Å; N261-V265 PolarHBondContact OD1-N 3.33Å; N261-V265 PolarHBondContact OD1-O 2.97Å; V265-M267 HydrophobicContact CG1-CE 3.48Å; V265-M267 VanDerWaalsContact CG1-CE 3.48Å; V265-M267 HydrophobicContact CG1-CG 4.43Å; V265-P369 HydrophobicContact CG2-CB 4.18Å; V265-P369 HydrophobicContact CG2-CG 4.23Å
266	I	93.3	Very high	86.8	Confident	2 Å²	2	53.7 Å²	53.7	1%	0.01	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	119.7	-174.6	-48	-56.1	0	0	0	109.7	Y235 L237 V238 F239 H260 L268 L300	Y235-I266 HydrophobicContact CD1-CD1 4.13Å; Y235-I266 HydrophobicContact CD1-CG1 3.55Å; Y235-I266 HydrophobicContact CE1-CD1 3.97Å; Y235-I266 HydrophobicContact CE1-CG1 3.66Å; Y235-I266 HydrophobicContact CG-CG1 4.21Å; L237-I266 PolarHBondContact O-N 3.44Å; V238-I266 CarbonylContact C-O 3.52Å; V238-I266 VanDerWaalsContact CA-O 3.28Å; V238-I266 WeakPolarHBondContact CA-O 3.42Å; V238-I266 HydrophobicContact CG1-CB 4.06Å; V238-I266 HydrophobicContact CG1-CG1 4.38Å; F239-I266 PolarHBondContact N-O 3.41Å; H260-I266 WeakPolarHBondContact ND1-CA 3.04Å; I266-L268 HydrophobicContact CG2-CD1 4.09Å; I266-L268 HydrophobicContact CG2-CD2 3.76Å; I266-L268 HydrophobicContact CG2-CG 3.7Å; I266-L300 HydrophobicContact CG2-CD2 4.35Å
267	M	93	Very high	86.4	Confident	8 Å²	8	56.4 Å²	56.4	4%	0.039	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	93.5	179.2	-55.6	-79.1	152.3	0	0	109.3	L237 F239 L256 L259 H260 V265 L308	L237-M267 HydrophobicContact CB-CE 4.5Å; L237-M267 HydrophobicContact CD2-CE 3.53Å; L237-M267 HydrophobicContact CG-CE 3.59Å; F239-M267 HydrophobicContact CB-CE 4.44Å; F239-M267 HydrophobicContact CB-SD 3.45Å; F239-M267 WeakPolarHBondContact CB-SD 3.41Å; F239-M267 HydrophobicContact CG-SD 4.35Å; L256-M267 WeakPolarHBondContact O-CG 3.5Å; L259-M267 HydrophobicContact CB-CE 4.09Å; L259-M267 HydrophobicContact CB-CG 3.91Å; L259-M267 HydrophobicContact CB-SD 4.24Å; L259-M267 HydrophobicContact CD1-CE 4.23Å; L259-M267 HydrophobicContact CD1-SD 4.35Å; H260-M267 HydrophobicContact CB-CB 4.03Å; H260-M267 HydrophobicContact CB-CG 4.28Å; H260-M267 PolarHBondContact ND1-N 2.67Å; V265-M267 HydrophobicContact CG1-CE 3.48Å; V265-M267 VanDerWaalsContact CG1-CE 3.48Å; V265-M267 HydrophobicContact CG1-CG 4.43Å; M267-L308 HydrophobicContact CE-CD2 4.28Å; M267-L308 HydrophobicContact SD-CD2 3.96Å
268	L	92.2	Very high	86.6	Confident	1 Å²	1	59.4 Å²	59.4	1%	0.005	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	125.5	-178	-52	-178.3	0	0	0	109.8	F239 K240 G241 I266 M291 Y292 W295 L300	F239-L268 VanDerWaalsContact CD1-O 3.3Å; F239-L268 WeakPolarHBondContact CD1-O 3.32Å; F239-L268 WeakPolarHBondContact CE1-O 3.34Å; F239-L268 PolarHBondContact O-N 2.88Å; K240-L268 VanDerWaalsContact CA-O 3.27Å; K240-L268 WeakPolarHBondContact CA-O 3.24Å; K240-L268 HydrophobicContact CB-CB 4.35Å; K240-L268 HydrophobicContact CG-CB 4.22Å; G241-L268 PolarHBondContact N-O 2.87Å; G241-L268 VanDerWaalsContact N-O 3.09Å; I266-L268 HydrophobicContact CG2-CD1 4.09Å; I266-L268 HydrophobicContact CG2-CD2 3.76Å; I266-L268 HydrophobicContact CG2-CG 3.7Å; L268-M291 HydrophobicContact CD2-CB 4.17Å; L268-Y292 HydrophobicContact CB-CD2 4.21Å; L268-W295 HydrophobicContact CD1-CB 4.19Å; L268-W295 HydrophobicContact CD1-CD2 4.29Å; L268-W295 HydrophobicContact CD1-CE3 3.62Å; L268-W295 HydrophobicContact CD1-CZ3 4.41Å; L268-W295 HydrophobicContact CD2-CE3 4.34Å; L268-W295 HydrophobicContact CD2-CZ3 4.33Å; L268-L300 HydrophobicContact CD1-CD1 3.71Å
269	T	91.1	Very high	86.6	Confident	3 Å²	3	66.1 Å²	66.1	2%	0.018	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	155	176.3	81.3	0	0	0	0	111.2	F239 G241 D288	F239-T269 HydrophobicContact CD1-CG2 4.29Å; F239-T269 HydrophobicContact CE1-CG2 3.83Å; G241-T269 CarbonylContact O-C 3.41Å; G241-T269 WeakPolarHBondContact O-CA 3.37Å; T269-D288 CarbonylContact O-C 3.57Å; T269-D288 WeakPolarHBondContact O-CB 3.24Å; T269-D288 VanDerWaalsContact O-O 3.1Å; T269-D288 PolarHBondContact OG1-OD2 2.72Å
270	T	89.1	Confident	86	Confident	5 Å²	5	68.7 Å²	68.7	3%	0.031	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	137.9	171	177.1	0	0	0	0	110.5	G241 K242 R243 K272 N289 Y292	G241-T270 PolarHBondContact O-N 3.3Å; K242-T270 WeakPolarHBondContact CA-O 3.27Å; K242-T270 HydrophobicContact CG-CG2 4.06Å; R243-T270 PolarHBondContact N-O 3.42Å; T270-K272 VanDerWaalsContact C-N 3.28Å; T270-K272 WeakPolarHBondContact OG1-CB 3.14Å; T270-K272 PolarHBondContact OG1-N 3.31Å; T270-K272 VanDerWaalsContact OG1-N 3.11Å; T270-N289 PolarHBondContact OG1-OD1 2.97Å; T270-Y292 HydrophobicContact CG2-CD1 4.38Å; T270-Y292 HydrophobicContact CG2-CD2 3.93Å; T270-Y292 HydrophobicContact CG2-CE1 4.12Å; T270-Y292 HydrophobicContact CG2-CE2 3.62Å; T270-Y292 HydrophobicContact CG2-CG 4.29Å
271	C	86.9	Confident	85.7	Confident	3 Å²	3	70.9 Å²	70.9	2%	0.02	33%	0.33	C	S	.	.			trans	-80.5	-7.9	172.8	-57.6	0	0	0	0	113.2	R243 H273 W277 C285	R243-C271 PolarHBondContact NH2-SG 3.17Å; C271-H273 PolarHBondContact O-N 2.87Å; C271-W277 HydrophobicContact CB-CE3 4.49Å; C271-W277 WeakPolarHBondContact O-CB 3.24Å; C271-C285 HydrophobicContact CB-CB 3.72Å; C271-C285 WeakPolarHBondContact CB-SG 3.29Å; C271-C285 WeakPolarHBondContact SG-CA 3.45Å; C271-C285 WeakPolarHBondContact SG-CB 3.17Å; C271-C285 CovalentContact SG-SG 2.03Å; C271-C285 PolarHBondContact SG-SG 3.23Å
272	K	85.7	Confident	85.5	Confident	92 Å²	92	70.3 Å²	70.3	40%	0.4	33%	0.327	S	S	.	.			trans	-68.8	71.8	-178.2	-62.8	174	-175.9	169.1	0	110.8	T270 W277 D293	T270-K272 VanDerWaalsContact C-N 3.28Å; T270-K272 WeakPolarHBondContact OG1-CB 3.14Å; T270-K272 PolarHBondContact OG1-N 3.31Å; T270-K272 VanDerWaalsContact OG1-N 3.11Å; K272-W277 HydrophobicContact CB-CD2 4.49Å; K272-W277 HydrophobicContact CG-CD2 4.31Å; K272-W277 HydrophobicContact CG-CE3 4.48Å; K272-W277 HydrophobicContact CG-CH2 4.23Å; K272-W277 HydrophobicContact CG-CZ2 4.03Å; K272-W277 HydrophobicContact CG-CZ3 4.45Å; K272-D293 IonicContact NZ-OD2 3.13Å
273	H	76.9	Confident	85.4	Confident	52 Å²	52	74.5 Å²	74.5	24%	0.241	34%	0.343	C	S	.	.			trans	-127.9	107.9	-173.8	-175.5	-64.3	0	0	0	112.3	K242 Y244 C271 R313	K242-H273 HydrophobicContact CB-CB 4.42Å; K242-H273 HydrophobicContact CD-CB 4.2Å; K242-H273 WeakPolarHBondContact CD-CD2 3.44Å; Y244-H273 AromaticContact CE1-CD2 3.87Å; Y244-H273 AromaticContact CE1-NE2 3.74Å; C271-H273 PolarHBondContact O-N 2.87Å; H273-R313 PolarHBondContact CE1-NH1 2.7Å; H273-R313 PolarHBondContact CE1-NH2 2.85Å; H273-R313 PolarHBondContact NE2-NH1 2.94Å
274	G	72.9	Confident	85.2	Confident	50 Å²	50	67.9 Å²	67.9	52%	0.515	32%	0.318	S	S	.	.	S	Bend	trans	85.2	176.2	-178	0	0	0	0	0	111.9	W277	G274-W277 VanDerWaalsContact O-CD1 3.32Å
275	K	77.1	Confident	85	Confident	201 Å²	201	66.5 Å²	66.5	87%	0.874	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-38.1	-179.4	-66.1	-175.9	179.2	-178.4	0	111.7	W277	K275-W277 VanDerWaalsContact C-N 3.34Å; K275-W277 PolarHBondContact O-N 3.27Å
276	D	77.2	Confident	84.8	Confident	92 Å²	92	69.1 Å²	69.1	49%	0.492	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.9	25.6	-175.2	-55.8	-57.8	0	0	0	114.3	K278 R279 N280	D276-K278 PolarHBondContact O-N 3.44Å; D276-R279 WeakPolarHBondContact O-CB 3.22Å; D276-R279 PolarHBondContact O-N 3.41Å; D276-R279 VanDerWaalsContact O-N 3.11Å; D276-N280 PolarHBondContact O-ND2 3.37Å
277	W	80.1	Confident	84.6	Confident	57 Å²	57	73.6 Å²	73.6	22%	0.216	36%	0.356	C	S	.	.	G	3₁₀ helix	trans	-61	-33.9	-176.7	72.2	-92.3	0	0	0	112.8	C271 K272 G274 K275 R279 N280 Q281	C271-W277 HydrophobicContact CB-CE3 4.49Å; C271-W277 WeakPolarHBondContact O-CB 3.24Å; K272-W277 HydrophobicContact CB-CD2 4.49Å; K272-W277 HydrophobicContact CG-CD2 4.31Å; K272-W277 HydrophobicContact CG-CE3 4.48Å; K272-W277 HydrophobicContact CG-CH2 4.23Å; K272-W277 HydrophobicContact CG-CZ2 4.03Å; K272-W277 HydrophobicContact CG-CZ3 4.45Å; G274-W277 VanDerWaalsContact O-CD1 3.32Å; K275-W277 VanDerWaalsContact C-N 3.34Å; K275-W277 PolarHBondContact O-N 3.27Å; W277-R279 VanDerWaalsContact C-N 3.26Å; W277-R279 PolarHBondContact O-N 2.85Å; W277-N280 CarbonylContact O-C 3.58Å; W277-N280 PolarHBondContact O-N 2.82Å; W277-N280 VanDerWaalsContact O-N 3.12Å; W277-Q281 HydrophobicContact CZ3-CG 4.5Å; W277-Q281 PolarHBondContact O-N 3.46Å
278	K	84.8	Confident	84.4	Confident	152 Å²	152	73.5 Å²	73.5	66%	0.661	36%	0.355	S	S	*	.	G	3₁₀ helix	trans	-60.7	-33.7	177.1	-67.3	-174.5	177.6	-177.1	0	112.6	D276 N280 Q281	D276-K278 PolarHBondContact O-N 3.44Å; K278-N280 PolarHBondContact O-N 2.64Å; K278-Q281 WeakPolarHBondContact O-CB 3.41Å; K278-Q281 PolarHBondContact O-N 2.66Å
279	R	84.1	Confident	84.3	Confident	211 Å²	211	74.2 Å²	74.2	80%	0.796	36%	0.359	S	S	*	.	G	3₁₀ helix	trans	-68.8	-24.1	178.6	-68.1	-174.6	173.8	-178.2	-2.2	112.8	D276 W277	D276-R279 WeakPolarHBondContact O-CB 3.22Å; D276-R279 PolarHBondContact O-N 3.41Å; D276-R279 VanDerWaalsContact O-N 3.11Å; W277-R279 VanDerWaalsContact C-N 3.26Å; W277-R279 PolarHBondContact O-N 2.85Å
280	N	77.7	Confident	84.2	Confident	63 Å²	63	78.3 Å²	78.3	34%	0.337	38%	0.384	S	S	.	.	G	3₁₀ helix	trans	-110.5	23.9	-177.5	-58.4	-72.1	0	0	0	111	V245 F246 D276 W277 K278	V245-N280 HydrophobicContact CB-CB 4.34Å; V245-N280 WeakPolarHBondContact CG1-O 3.35Å; V245-N280 WeakPolarHBondContact CG2-O 3.47Å; F246-N280 HydrophobicContact CD1-CB 4.06Å; F246-N280 HydrophobicContact CE1-CB 4.12Å; F246-N280 VanDerWaalsContact CE1-ND2 3.35Å; F246-N280 WeakPolarHBondContact CE1-ND2 3.18Å; D276-N280 PolarHBondContact O-ND2 3.37Å; W277-N280 CarbonylContact O-C 3.58Å; W277-N280 PolarHBondContact O-N 2.82Å; W277-N280 VanDerWaalsContact O-N 3.12Å; K278-N280 PolarHBondContact O-N 2.64Å
281	Q	82.8	Confident	84.2	Confident	90 Å²	90	80.3 Å²	80.3	42%	0.421	39%	0.393	S	S	.	.			trans	-77.3	127.8	-177.9	-166.1	-178.9	-37.2	0	0	109.9	W277 K278 C285	W277-Q281 HydrophobicContact CZ3-CG 4.5Å; W277-Q281 PolarHBondContact O-N 3.46Å; K278-Q281 WeakPolarHBondContact O-CB 3.41Å; K278-Q281 PolarHBondContact O-N 2.66Å; Q281-C285 HydrophobicContact CG-CB 3.25Å
282	D	85.8	Confident	84.3	Confident	56 Å²	56	82.5 Å²	82.5	30%	0.299	40%	0.402	S	S	.	.			trans	-95.4	172.2	168.2	65.1	30.6	0	0	0	111.3	R243 R284 C285	R243-D282 IonicContact CZ-OD1 3.82Å; R243-D282 IonicContact CZ-OD2 3.21Å; R243-D282 IonicContact NH1-OD2 2.71Å; R243-D282 PolarHBondContact NH1-OD2 2.95Å; R243-D282 IonicContact NH2-OD1 2.75Å; R243-D282 PolarHBondContact NH2-OD1 3.2Å; R243-D282 IonicContact NH2-OD2 2.86Å; R243-D282 PolarHBondContact NH2-OD2 3.12Å; D282-R284 PolarHBondContact O-N 2.73Å; D282-R284 VanDerWaalsContact O-N 3.11Å; D282-R284 WeakPolarHBondContact OD1-CB 3.41Å; D282-R284 PolarHBondContact OD1-N 3.07Å; D282-R284 VanDerWaalsContact OD1-N 3.11Å; D282-C285 PolarHBondContact N-SG 3.02Å; D282-C285 WeakPolarHBondContact O-CB 3.27Å; D282-C285 PolarHBondContact O-N 2.97Å; D282-C285 VanDerWaalsContact O-N 3.12Å; D282-C285 PolarHBondContact OD1-N 3.3Å; D282-C285 VanDerWaalsContact OD1-N 3.13Å; D282-C285 PolarHBondContact OD1-SG 2.57Å
283	E	85.9	Confident	84.4	Confident	197 Å²	197	83.2 Å²	83.2	92%	0.921	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-28.1	-176.9	-62.3	176.6	-179.9	0	0	113.2
284	R	86.5	Confident	84.8	Confident	62 Å²	62	88.3 Å²	88.3	23%	0.234	43%	0.427	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-23.8	-176.9	-172.6	-149.7	175.2	84.9	28.1	112.7	D282 A286 I287 D288	D282-R284 PolarHBondContact O-N 2.73Å; D282-R284 VanDerWaalsContact O-N 3.11Å; D282-R284 WeakPolarHBondContact OD1-CB 3.41Å; D282-R284 PolarHBondContact OD1-N 3.07Å; D282-R284 VanDerWaalsContact OD1-N 3.11Å; R284-A286 PolarHBondContact O-N 3.19Å; R284-A286 VanDerWaalsContact O-N 3.1Å; R284-I287 WeakPolarHBondContact O-CB 3.34Å; R284-I287 PolarHBondContact O-N 3.1Å; R284-D288 WeakPolarHBondContact CD-OD2 3.49Å; R284-D288 IonicContact CZ-OD1 3.5Å; R284-D288 VanDerWaalsContact NE-CG 3.3Å; R284-D288 IonicContact NE-OD1 3.94Å; R284-D288 PolarHBondContact NE-OD1 3.1Å; R284-D288 IonicContact NE-OD2 3.55Å; R284-D288 PolarHBondContact NE-OD2 3.22Å; R284-D288 IonicContact NH2-OD1 2.73Å; R284-D288 PolarHBondContact O-N 2.7Å
285	C	88.5	Confident	85.4	Confident	0 Å²	0	88.4 Å²	88.4	0%	0	41%	0.412	C	S	.	.	H	α-helix	trans	-56.6	-31.8	-173.2	-75.1	0	0	0	0	114.8	R243 C271 Q281 D282 N289	R243-C285 PolarHBondContact NH2-SG 3.11Å; C271-C285 HydrophobicContact CB-CB 3.72Å; C271-C285 WeakPolarHBondContact CB-SG 3.29Å; C271-C285 WeakPolarHBondContact SG-CA 3.45Å; C271-C285 WeakPolarHBondContact SG-CB 3.17Å; C271-C285 CovalentContact SG-SG 2.03Å; C271-C285 PolarHBondContact SG-SG 3.23Å; Q281-C285 HydrophobicContact CG-CB 3.25Å; D282-C285 PolarHBondContact N-SG 3.02Å; D282-C285 WeakPolarHBondContact O-CB 3.27Å; D282-C285 PolarHBondContact O-N 2.97Å; D282-C285 VanDerWaalsContact O-N 3.12Å; D282-C285 PolarHBondContact OD1-N 3.3Å; D282-C285 VanDerWaalsContact OD1-N 3.13Å; D282-C285 PolarHBondContact OD1-SG 2.57Å; C285-N289 WeakPolarHBondContact O-CB 3.19Å; C285-N289 PolarHBondContact O-N 2.91Å; C285-N289 PolarHBondContact O-ND2 3.44Å
286	A	89.1	Confident	85.9	Confident	55 Å²	55	82.4 Å²	82.4	46%	0.455	39%	0.392	S	S	.	.	H	α-helix	trans	-62.3	-49.6	175.1	0	0	0	0	0	111	R284 N289 T290	R284-A286 PolarHBondContact O-N 3.19Å; R284-A286 VanDerWaalsContact O-N 3.1Å; A286-N289 PolarHBondContact O-N 2.89Å; A286-T290 PolarHBondContact O-N 3.21Å; A286-T290 VanDerWaalsContact O-N 3.09Å; A286-T290 PolarHBondContact O-OG1 3.13Å; A286-T290 VanDerWaalsContact O-OG1 3.09Å
287	I	89.1	Confident	86.3	Confident	96 Å²	96	80.4 Å²	80.4	49%	0.492	38%	0.378	S	S	.	.	H	α-helix	trans	-63	-45.1	178.5	-62.3	171.6	0	0	0	110.8	R284 N289 T290 M291	R284-I287 WeakPolarHBondContact O-CB 3.34Å; R284-I287 PolarHBondContact O-N 3.1Å; I287-N289 PolarHBondContact O-N 2.92Å; I287-T290 PolarHBondContact O-N 3.13Å; I287-M291 HydrophobicContact CG2-CE 3.3Å; I287-M291 PolarHBondContact O-N 2.93Å
288	D	89	Confident	86.4	Confident	6 Å²	6	82.2 Å²	82.2	3%	0.032	39%	0.389	C	S	.	.	H	α-helix	trans	-56.3	-49.6	177.5	-82.3	-17.3	0	0	0	111.4	R243 T269 R284 M291 Y292	R243-D288 IonicContact CZ-OD2 3.15Å; R243-D288 IonicContact NE-OD2 3.51Å; R243-D288 PolarHBondContact NE-OD2 3.48Å; R243-D288 IonicContact NH2-OD2 3.2Å; R243-D288 PolarHBondContact NH2-OD2 3.17Å; R243-D288 VanDerWaalsContact NH2-OD2 3.15Å; T269-D288 CarbonylContact O-C 3.57Å; T269-D288 WeakPolarHBondContact O-CB 3.24Å; T269-D288 VanDerWaalsContact O-O 3.1Å; T269-D288 PolarHBondContact OG1-OD2 2.72Å; R284-D288 WeakPolarHBondContact CD-OD2 3.49Å; R284-D288 IonicContact CZ-OD1 3.5Å; R284-D288 VanDerWaalsContact NE-CG 3.3Å; R284-D288 IonicContact NE-OD1 3.94Å; R284-D288 PolarHBondContact NE-OD1 3.1Å; R284-D288 IonicContact NE-OD2 3.55Å; R284-D288 PolarHBondContact NE-OD2 3.22Å; R284-D288 IonicContact NH2-OD1 2.73Å; R284-D288 PolarHBondContact O-N 2.7Å; D288-M291 PolarHBondContact O-N 3.35Å; D288-Y292 VanDerWaalsContact O-CB 3.23Å; D288-Y292 WeakPolarHBondContact O-CB 3.43Å; D288-Y292 PolarHBondContact O-N 3.24Å
289	N	90	Very high	86.3	Confident	16 Å²	16	78.8 Å²	78.8	9%	0.086	38%	0.375	C	S	.	.	H	α-helix	trans	-64.7	-43.2	-179.6	-70.6	-32.6	0	0	0	112.2	T270 C285 A286 I287 M291 Y292 D293	T270-N289 PolarHBondContact OG1-OD1 2.97Å; C285-N289 WeakPolarHBondContact O-CB 3.19Å; C285-N289 PolarHBondContact O-N 2.91Å; C285-N289 PolarHBondContact O-ND2 3.44Å; A286-N289 PolarHBondContact O-N 2.89Å; I287-N289 PolarHBondContact O-N 2.92Å; N289-M291 VanDerWaalsContact C-N 3.34Å; N289-M291 PolarHBondContact O-N 2.66Å; N289-Y292 WeakPolarHBondContact O-CB 3.44Å; N289-Y292 PolarHBondContact O-N 3.36Å; N289-D293 PolarHBondContact O-N 3.01Å; N289-D293 VanDerWaalsContact O-N 3.1Å
290	T	89.9	Confident	86.4	Confident	88 Å²	88	68.8 Å²	68.8	54%	0.54	34%	0.338	S	S	.	.	H	α-helix	trans	-61.5	-41.6	177.3	-59.8	0	0	0	0	111.9	A286 I287	A286-T290 PolarHBondContact O-N 3.21Å; A286-T290 VanDerWaalsContact O-N 3.09Å; A286-T290 PolarHBondContact O-OG1 3.13Å; A286-T290 VanDerWaalsContact O-OG1 3.09Å; I287-T290 PolarHBondContact O-N 3.13Å
291	M	87.7	Confident	86.9	Confident	47 Å²	47	66.2 Å²	66.2	23%	0.232	32%	0.323	C	S	.	.	H	α-helix	trans	-71.1	-35.4	175.1	-73.2	-159.2	-105.1	0	0	112.3	L268 I287 D288 N289 D293 R294	L268-M291 HydrophobicContact CD2-CB 4.17Å; I287-M291 HydrophobicContact CG2-CE 3.3Å; I287-M291 PolarHBondContact O-N 2.93Å; D288-M291 PolarHBondContact O-N 3.35Å; N289-M291 VanDerWaalsContact C-N 3.34Å; N289-M291 PolarHBondContact O-N 2.66Å; M291-D293 VanDerWaalsContact C-N 3.32Å; M291-D293 PolarHBondContact O-N 3.06Å; M291-R294 PolarHBondContact O-N 2.95Å
292	Y	89.7	Confident	86.8	Confident	49 Å²	49	63.5 Å²	63.5	19%	0.192	31%	0.311	C	S	.	.	H	α-helix	trans	-60.4	-41.8	178.9	-169	-90.2	0	0	0	111.4	K240 L268 T270 D288 N289 R294	K240-Y292 HydrophobicContact CD-CE2 4.26Å; K240-Y292 HydrophobicContact CG-CD2 3.99Å; K240-Y292 HydrophobicContact CG-CE2 3.41Å; K240-Y292 VanDerWaalsContact CG-CE2 3.41Å; K240-Y292 PolarHBondContact NZ-O 2.79Å; L268-Y292 HydrophobicContact CB-CD2 4.21Å; T270-Y292 HydrophobicContact CG2-CD1 4.38Å; T270-Y292 HydrophobicContact CG2-CD2 3.93Å; T270-Y292 HydrophobicContact CG2-CE1 4.12Å; T270-Y292 HydrophobicContact CG2-CE2 3.62Å; T270-Y292 HydrophobicContact CG2-CG 4.29Å; D288-Y292 VanDerWaalsContact O-CB 3.23Å; D288-Y292 WeakPolarHBondContact O-CB 3.43Å; D288-Y292 PolarHBondContact O-N 3.24Å; N289-Y292 WeakPolarHBondContact O-CB 3.44Å; N289-Y292 PolarHBondContact O-N 3.36Å; Y292-R294 PolarHBondContact O-N 2.72Å
293	D	87.2	Confident	86.8	Confident	107 Å²	107	62.9 Å²	62.9	57%	0.572	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-6.5	-173	-65.1	-22	0	0	0	113.8	K272 N289 M291	K272-D293 IonicContact NZ-OD2 3.13Å; N289-D293 PolarHBondContact O-N 3.01Å; N289-D293 VanDerWaalsContact O-N 3.1Å; M291-D293 VanDerWaalsContact C-N 3.32Å; M291-D293 PolarHBondContact O-N 3.06Å
294	R	86.6	Confident	87.1	Confident	160 Å²	160	53.5 Å²	53.5	60%	0.604	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-22.9	-177.7	-72.8	-178.9	-177.7	-169.5	-1.2	116.1	M291 Y292	M291-R294 PolarHBondContact O-N 2.95Å; Y292-R294 PolarHBondContact O-N 2.72Å
295	W	85.1	Confident	87.4	Confident	52 Å²	52	51.5 Å²	51.5	20%	0.197	26%	0.259	C	S	.	.	S	Bend	trans	-132.6	146.6	-176.3	-73.1	-87.2	0	0	0	111.4	Y235 K240 L268 L300	Y235-W295 PolarHBondContact OH-NE1 2.81Å; K240-W295 WeakPolarHBondContact CE-O 3.46Å; K240-W295 PolarHBondContact NZ-O 3.38Å; L268-W295 HydrophobicContact CD1-CB 4.19Å; L268-W295 HydrophobicContact CD1-CD2 4.29Å; L268-W295 HydrophobicContact CD1-CE3 3.62Å; L268-W295 HydrophobicContact CD1-CZ3 4.41Å; L268-W295 HydrophobicContact CD2-CE3 4.34Å; L268-W295 HydrophobicContact CD2-CZ3 4.33Å; W295-L300 HydrophobicContact CB-CD1 3.67Å; W295-L300 HydrophobicContact CB-CD2 4.17Å; W295-L300 HydrophobicContact CB-CG 3.78Å; W295-L300 HydrophobicContact CG-CD1 4.25Å; W295-L300 HydrophobicContact CG-CD2 3.95Å; W295-L300 HydrophobicContact CG-CG 4.12Å
296	T	86.6	Confident	87.8	Confident	74 Å²	74	51.5 Å²	51.5	45%	0.454	26%	0.259	S	S	.	.			trans	-78	157.7	169.3	68.8	0	0	0	0	111	E299 L300	T296-E299 WeakPolarHBondContact OG1-CB 3.21Å; T296-E299 PolarHBondContact OG1-N 3.38Å; T296-E299 PolarHBondContact OG1-OE2 3.39Å; T296-L300 PolarHBondContact O-N 3.46Å
297	Y	86.3	Confident	88.1	Confident	50 Å²	50	49 Å²	49	20%	0.196	24%	0.238	C	C	.	.	H	α-helix	trans	-69.3	-41.2	-179.3	-177.5	-107.2	0	0	0	111.3	K240 M301 R319 E322	K240-Y297 HydrophobicContact CB-CD2 3.98Å; K240-Y297 HydrophobicContact CB-CE2 4.38Å; K240-Y297 HydrophobicContact CD-CD2 4.1Å; K240-Y297 HydrophobicContact CG-CD2 4.22Å; Y297-M301 HydrophobicContact CD1-SD 3.94Å; Y297-M301 HydrophobicContact CD2-SD 4.44Å; Y297-M301 HydrophobicContact CE1-SD 3.23Å; Y297-M301 WeakPolarHBondContact CE1-SD 3.21Å; Y297-M301 HydrophobicContact CE2-SD 3.8Å; Y297-M301 HydrophobicContact CG-SD 4.49Å; Y297-M301 WeakPolarHBondContact O-CG 3.4Å; Y297-M301 PolarHBondContact O-N 3.4Å; Y297-M301 PolarHBondContact OH-SD 3.14Å; Y297-R319 VanDerWaalsContact OH-CD 3.27Å; Y297-R319 WeakPolarHBondContact OH-CD 3.33Å; Y297-R319 WeakPolarHBondContact OH-CG 3.41Å; Y297-E322 PolarHBondContact OH-OE2 3.41Å
298	E	82.2	Confident	88.4	Confident	95 Å²	95	44.4 Å²	44.4	44%	0.444	22%	0.215	S	C	.	.	H	α-helix	trans	-66.5	-48.2	-176.4	-65.8	66.4	-147.3	0	0	111.1	L300 M301 Q302	E298-L300 PolarHBondContact O-N 3.39Å; E298-M301 PolarHBondContact O-N 3.44Å; E298-Q302 WeakPolarHBondContact O-CB 3.45Å; E298-Q302 WeakPolarHBondContact O-CG 3.5Å; E298-Q302 PolarHBondContact O-N 2.82Å
299	E	82.2	Confident	88.7	Confident	80 Å²	80	44.2 Å²	44.2	37%	0.374	21%	0.214	S	C	.	.	H	α-helix	trans	-59.2	-46.7	178.7	-178.5	-168.7	168.8	0	0	111.7	T296 M301 N303	T296-E299 WeakPolarHBondContact OG1-CB 3.21Å; T296-E299 PolarHBondContact OG1-N 3.38Å; T296-E299 PolarHBondContact OG1-OE2 3.39Å; E299-M301 PolarHBondContact O-N 3.29Å; E299-N303 VanDerWaalsContact O-CB 3.31Å; E299-N303 WeakPolarHBondContact O-CB 3.24Å; E299-N303 PolarHBondContact O-N 3.27Å; E299-N303 VanDerWaalsContact O-N 3.1Å; E299-N303 PolarHBondContact O-ND2 2.67Å
300	L	87.2	Confident	88.8	Confident	2 Å²	2	43.4 Å²	43.4	1%	0.01	21%	0.21	C	C	.	.	H	α-helix	trans	-60.7	-48.1	178.4	-76.8	172.5	0	0	0	111.3	Y235 V238 K240 I266 L268 W295 T296 E298 N303 S304	Y235-L300 HydrophobicContact CD2-CD2 4.26Å; Y235-L300 HydrophobicContact CE2-CD2 3.91Å; V238-L300 HydrophobicContact CG1-CD2 4.45Å; K240-L300 HydrophobicContact CB-CD1 4.16Å; K240-L300 HydrophobicContact CD-CD1 3.99Å; I266-L300 HydrophobicContact CG2-CD2 4.35Å; L268-L300 HydrophobicContact CD1-CD1 3.71Å; W295-L300 HydrophobicContact CB-CD1 3.67Å; W295-L300 HydrophobicContact CB-CD2 4.17Å; W295-L300 HydrophobicContact CB-CG 3.78Å; W295-L300 HydrophobicContact CG-CD1 4.25Å; W295-L300 HydrophobicContact CG-CD2 3.95Å; W295-L300 HydrophobicContact CG-CG 4.12Å; T296-L300 PolarHBondContact O-N 3.46Å; E298-L300 PolarHBondContact O-N 3.39Å; L300-N303 PolarHBondContact O-N 3.3Å; L300-S304 VanDerWaalsContact O-CB 3.31Å; L300-S304 WeakPolarHBondContact O-CB 3.35Å; L300-S304 PolarHBondContact O-N 3.29Å; L300-S304 PolarHBondContact O-OG 3.46Å
301	M	87	Confident	88.7	Confident	8 Å²	8	41.9 Å²	41.9	4%	0.039	19%	0.194	C	C	.	.	H	α-helix	trans	-69.6	-37.9	-176.1	-70.4	-172.5	70.5	0	0	113.2	Y297 E298 E299 N303 E322 A323 K326	Y297-M301 HydrophobicContact CD1-SD 3.94Å; Y297-M301 HydrophobicContact CD2-SD 4.44Å; Y297-M301 HydrophobicContact CE1-SD 3.23Å; Y297-M301 WeakPolarHBondContact CE1-SD 3.21Å; Y297-M301 HydrophobicContact CE2-SD 3.8Å; Y297-M301 HydrophobicContact CG-SD 4.49Å; Y297-M301 WeakPolarHBondContact O-CG 3.4Å; Y297-M301 PolarHBondContact O-N 3.4Å; Y297-M301 PolarHBondContact OH-SD 3.14Å; E298-M301 PolarHBondContact O-N 3.44Å; E299-M301 PolarHBondContact O-N 3.29Å; M301-N303 VanDerWaalsContact C-N 3.33Å; M301-E322 VanDerWaalsContact CE-C 3.45Å; M301-E322 HydrophobicContact CE-CB 3.94Å; M301-E322 HydrophobicContact SD-CB 4.45Å; M301-A323 HydrophobicContact CE-CB 3.94Å; M301-A323 VanDerWaalsContact CE-N 3.34Å; M301-K326 HydrophobicContact CB-CG 4.37Å
302	Q	81.5	Confident	88.3	Confident	34 Å²	34	39.9 Å²	39.9	16%	0.159	19%	0.185	C	C	.	.	H	α-helix	trans	-66.6	-37.1	178	-75	167.4	-13.5	0	0	111.6	S223 E298 S304 K326	S223-Q302 PolarHBondContact O-NE2 3.49Å; E298-Q302 WeakPolarHBondContact O-CB 3.45Å; E298-Q302 WeakPolarHBondContact O-CG 3.5Å; E298-Q302 PolarHBondContact O-N 2.82Å; Q302-S304 VanDerWaalsContact C-N 3.31Å; Q302-S304 PolarHBondContact O-N 3.1Å; Q302-K326 HydrophobicContact CG-CD 3.95Å; Q302-K326 VanDerWaalsContact NE2-NZ 3.19Å
303	N	85.9	Confident	87.9	Confident	43 Å²	43	40.4 Å²	40.4	23%	0.23	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	15.8	-176.6	-63.9	-21.2	0	0	0	114.1	S233 H234 Y235 E299 L300 M301	S233-N303 CarbonylContact C-O 3.54Å; H234-N303 PolarHBondContact N-O 2.98Å; Y235-N303 HydrophobicContact CD2-CB 4.34Å; Y235-N303 PolarHBondContact N-O 3.13Å; Y235-N303 VanDerWaalsContact N-O 3.07Å; E299-N303 VanDerWaalsContact O-CB 3.31Å; E299-N303 WeakPolarHBondContact O-CB 3.24Å; E299-N303 PolarHBondContact O-N 3.27Å; E299-N303 VanDerWaalsContact O-N 3.1Å; E299-N303 PolarHBondContact O-ND2 2.67Å; L300-N303 PolarHBondContact O-N 3.3Å; M301-N303 VanDerWaalsContact C-N 3.33Å
304	S	91.3	Very high	87.9	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	141.3	-176.5	-64.9	0	0	0	0	113.3	Y235 V238 L300 Q302 R384	Y235-S304 WeakPolarHBondContact CB-OG 2.84Å; Y235-S304 WeakPolarHBondContact O-CA 3.48Å; V238-S304 WeakPolarHBondContact CG1-OG 3.29Å; V238-S304 WeakPolarHBondContact CG2-OG 3.41Å; L300-S304 VanDerWaalsContact O-CB 3.31Å; L300-S304 WeakPolarHBondContact O-CB 3.35Å; L300-S304 PolarHBondContact O-N 3.29Å; L300-S304 PolarHBondContact O-OG 3.46Å; Q302-S304 VanDerWaalsContact C-N 3.31Å; Q302-S304 PolarHBondContact O-N 3.1Å; S304-R384 PolarHBondContact O-NH1 3.38Å
305	S	92.9	Very high	88	Confident	19 Å²	19	29.8 Å²	29.8	13%	0.133	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	-47.9	172.3	-68.6	0	0	0	0	111.7	S233 Y235 I329 R384	S233-S305 WeakPolarHBondContact CB-OG 3.39Å; Y235-S305 PolarHBondContact O-N 2.78Å; S305-I329 PolarHBondContact O-N 2.95Å; S305-R384 PolarHBondContact O-NH1 3.25Å
306	F	96.5	Very high	88.3	Confident	0 Å²	0	27.6 Å²	27.6	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	142.2	-175.6	-61	-85.3	0	0	0	112.2	L236 L237 V238 I329 V331 V352 L372 I375 I380	L236-F306 HydrophobicContact CD1-CD2 3.92Å; L236-F306 HydrophobicContact CD1-CE2 3.99Å; L236-F306 HydrophobicContact CG-CD2 4.49Å; L236-F306 VanDerWaalsContact O-CB 3.28Å; L236-F306 WeakPolarHBondContact O-CB 3.48Å; L236-F306 VanDerWaalsContact O-CD2 3.31Å; L236-F306 WeakPolarHBondContact O-CD2 3.25Å; L236-F306 PolarHBondContact O-N 3.26Å; L237-F306 WeakPolarHBondContact CA-O 3.49Å; L237-F306 HydrophobicContact CD1-CB 3.75Å; V238-F306 PolarHBondContact N-O 3.04Å; F306-I329 WeakPolarHBondContact CA-O 3.27Å; F306-I329 HydrophobicContact CD1-CB 3.58Å; F306-I329 HydrophobicContact CD1-CD1 4.08Å; F306-I329 HydrophobicContact CD1-CG1 4.44Å; F306-I329 HydrophobicContact CD1-CG2 3.72Å; F306-I329 HydrophobicContact CE1-CB 3.91Å; F306-I329 HydrophobicContact CE1-CD1 3.63Å; F306-I329 HydrophobicContact CE1-CG1 4.41Å; F306-I329 HydrophobicContact CE1-CG2 3.81Å; F306-I329 HydrophobicContact CG-CB 4.44Å; F306-I329 HydrophobicContact CZ-CD1 4.09Å; F306-V331 HydrophobicContact CB-CG2 3.77Å; F306-V331 HydrophobicContact CD1-CG2 3.88Å; F306-V331 HydrophobicContact CG-CG2 4.18Å; F306-V352 HydrophobicContact CD1-CG2 4.34Å; F306-V352 HydrophobicContact CE1-CG2 3.88Å; F306-L372 HydrophobicContact CB-CD1 4.08Å; F306-L372 HydrophobicContact CD1-CD2 3.74Å; F306-L372 HydrophobicContact CD2-CB 4.12Å; F306-L372 HydrophobicContact CD2-CD1 4.14Å; F306-L372 HydrophobicContact CD2-CD2 4.24Å; F306-L372 HydrophobicContact CD2-CG 4.38Å; F306-L372 HydrophobicContact CE1-CD2 3.78Å; F306-L372 HydrophobicContact CE2-CB 4.02Å; F306-L372 HydrophobicContact CE2-CD2 4.26Å; F306-L372 HydrophobicContact CG-CD1 4.02Å; F306-L372 HydrophobicContact CG-CD2 4Å; F306-L372 HydrophobicContact CG-CG 4.44Å; F306-L372 HydrophobicContact CZ-CB 4.47Å; F306-L372 HydrophobicContact CZ-CD2 4.04Å; F306-I375 HydrophobicContact CE1-CD1 4.11Å; F306-I375 HydrophobicContact CZ-CD1 3.82Å; F306-I380 HydrophobicContact CE2-CD1 3.83Å; F306-I380 HydrophobicContact CE2-CG1 4.27Å; F306-I380 HydrophobicContact CZ-CD1 3.95Å; F306-I380 HydrophobicContact CZ-CG1 3.9Å
307	C	96.1	Very high	88.4	Confident	3 Å²	3	25 Å²	25	2%	0.02	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	119.9	177.6	-78.3	0	0	0	0	109.4	V309 A323 C328 I329 P330 V331	C307-V309 PolarHBondContact O-N 3.08Å; C307-A323 HydrophobicContact CB-CB 3.88Å; C307-C328 VanDerWaalsContact CA-SG 3.54Å; C307-C328 HydrophobicContact CB-CB 3.91Å; C307-C328 WeakPolarHBondContact CB-SG 3.09Å; C307-C328 PolarHBondContact N-SG 2.83Å; C307-C328 WeakPolarHBondContact SG-CB 3.42Å; C307-C328 CovalentContact SG-SG 2.03Å; C307-C328 PolarHBondContact SG-SG 3.21Å; C307-I329 PolarHBondContact N-O 2.87Å; C307-P330 CarbonylContact O-C 3.51Å; C307-P330 WeakPolarHBondContact O-CA 3.48Å; C307-V331 PolarHBondContact O-N 3.46Å
308	L	95.3	Very high	88.7	Confident	0 Å²	0	25.7 Å²	25.7	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	129.9	-179	-162.4	74	0	0	0	110.1	L237 V238 F239 L256 L259 M267 P310 R319 V331 L333	L237-L308 HydrophobicContact CD1-CB 4.01Å; L237-L308 HydrophobicContact CD1-CD1 4.28Å; L237-L308 HydrophobicContact CD2-CD1 4.34Å; V238-L308 PolarHBondContact O-N 2.92Å; F239-L308 HydrophobicContact CB-CB 4.24Å; F239-L308 HydrophobicContact CD2-CD2 4.4Å; L256-L308 HydrophobicContact CD2-CD2 3.49Å; L256-L308 VanDerWaalsContact CD2-CD2 3.49Å; L259-L308 HydrophobicContact CD1-CD2 4.1Å; M267-L308 HydrophobicContact CE-CD2 4.28Å; M267-L308 HydrophobicContact SD-CD2 3.96Å; L308-P310 VanDerWaalsContact C-CD 3.41Å; L308-P310 WeakPolarHBondContact O-CD 3.48Å; L308-R319 PolarHBondContact O-NH1 3.02Å; L308-R319 PolarHBondContact O-NH2 3.31Å; L308-V331 HydrophobicContact CD1-CB 3.95Å; L308-V331 HydrophobicContact CD1-CG1 3.77Å; L308-L333 HydrophobicContact CD1-CD2 4.2Å; L308-L333 HydrophobicContact CD2-CD2 4.07Å; L308-L333 HydrophobicContact CG-CD2 4.32Å
309	V	94.7	Very high	89.2	Confident	1 Å²	1	21.7 Å²	21.7	1%	0.006	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	76	178	-171	0	0	0	0	110.3	C307 F320 P330 V331 I332 L333	C307-V309 PolarHBondContact O-N 3.08Å; V309-F320 HydrophobicContact CG1-CB 4.25Å; V309-P330 HydrophobicContact CG2-CB 3.91Å; V309-V331 PolarHBondContact N-O 3.23Å; V309-I332 HydrophobicContact CB-CD1 4.08Å; V309-I332 HydrophobicContact CG2-CD1 4.46Å; V309-L333 PolarHBondContact O-N 3.08Å
310	P	92.1	Very high	89.8	Confident	0 Å²	0	18 Å²	18	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	155.4	169.5	26	-39.6	0	0	0	113.2	F239 T252 R253 L256 L308 R319 L333	F239-P310 HydrophobicContact CD2-CG 3.84Å; F239-P310 HydrophobicContact CE2-CG 3.48Å; F239-P310 VanDerWaalsContact CE2-CG 3.48Å; T252-P310 HydrophobicContact CG2-CB 3.91Å; R253-P310 PolarHBondContact NH2-O 2.94Å; L256-P310 HydrophobicContact CD1-CG 3.98Å; L256-P310 HydrophobicContact CD2-CG 4.42Å; L308-P310 VanDerWaalsContact C-CD 3.41Å; L308-P310 WeakPolarHBondContact O-CD 3.48Å; P310-R319 VanDerWaalsContact CG-NH2 3.26Å; P310-L333 VanDerWaalsContact CA-O 3.29Å; P310-L333 WeakPolarHBondContact CA-O 3.35Å; P310-L333 HydrophobicContact CB-CB 4.26Å; P310-L333 HydrophobicContact CB-CD2 4.22Å
311	R	87.5	Confident	90.2	Very high	56 Å²	56	18.4 Å²	18.4	21%	0.211	9%	0.088	C	C	.	.			trans	-54	149.7	174.2	67.5	173.2	62.4	-149.2	-5	110.8	R253 L315 L333 S334 N335 E356	R253-R311 PolarHBondContact NE-O 3.26Å; R253-R311 PolarHBondContact NH2-O 3.48Å; R311-L315 VanDerWaalsContact CZ-CD2 3.47Å; R311-L333 PolarHBondContact N-O 3.43Å; R311-L333 VanDerWaalsContact N-O 3.08Å; R311-S334 VanDerWaalsContact CA-OG 3.25Å; R311-S334 WeakPolarHBondContact CA-OG 3.49Å; R311-S334 WeakPolarHBondContact CB-OG 3.32Å; R311-S334 PolarHBondContact N-OG 3.31Å; R311-N335 PolarHBondContact NH2-O 3.46Å; R311-E356 WeakPolarHBondContact CD-OE1 3.37Å; R311-E356 VanDerWaalsContact CG-OE1 3.28Å; R311-E356 WeakPolarHBondContact CG-OE1 3.41Å; R311-E356 IonicContact CZ-OE1 2.7Å; R311-E356 IonicContact CZ-OE2 3.08Å; R311-E356 IonicContact NE-OE1 2.97Å; R311-E356 PolarHBondContact NE-OE1 2.91Å; R311-E356 IonicContact NE-OE2 3.18Å; R311-E356 PolarHBondContact NE-OE2 2.9Å; R311-E356 IonicContact NH2-OE1 3.67Å; R311-E356 IonicContact NH2-OE2 2.64Å; R311-E356 PolarHBondContact NH2-OE2 3.39Å
312	G	81	Confident	90.4	Very high	4 Å²	4	21.3 Å²	21.3	4%	0.041	10%	0.101	C	C	.	.			trans	-100.3	-145.2	170.2	0	0	0	0	0	110.3	R314	G312-R314 CarbonylContact C-O 3.51Å; G312-R314 PolarHBondContact N-O 2.92Å; G312-R314 PolarHBondContact O-N 2.93Å
313	R	79.9	Confident	91	Very high	60 Å²	60	19.7 Å²	19.7	23%	0.226	9%	0.093	C	C	.	.	S	Bend	trans	-61.9	-24.1	164.1	-70.8	179.4	157.3	87.6	10.8	113.1	Y170 Y244 H273	Y170-R313 HydrophobicContact CD2-CB 3.98Å; Y170-R313 HydrophobicContact CD2-CG 4.43Å; Y170-R313 HydrophobicContact CE2-CB 3.9Å; Y170-R313 HydrophobicContact CE2-CG 3.91Å; Y170-R313 HydrophobicContact CG-CB 4.38Å; Y170-R313 VanDerWaalsContact CZ-CD 3.48Å; Y170-R313 VanDerWaalsContact OH-CD 3.25Å; Y170-R313 WeakPolarHBondContact OH-CD 3.48Å; Y170-R313 PolarHBondContact OH-NE 3.43Å; Y170-R313 VanDerWaalsContact OH-NE 3.15Å; Y244-R313 HydrophobicContact CE1-CG 4.44Å; Y244-R313 VanDerWaalsContact CE1-NH1 3.29Å; H273-R313 PolarHBondContact CE1-NH1 2.7Å; H273-R313 PolarHBondContact CE1-NH2 2.85Å; H273-R313 PolarHBondContact NE2-NH1 2.94Å
314	R	87.3	Confident	91.3	Very high	34 Å²	34	17.6 Å²	17.6	13%	0.128	8%	0.082	C	C	.	.	S	Bend	trans	-122.5	173.2	171.8	-60.7	179.5	-176	89	2.3	108.8	S164 G165 L172 G312	S164-R314 PolarHBondContact O-NE 3.29Å; S164-R314 PolarHBondContact O-NH2 3.1Å; S164-R314 VanDerWaalsContact O-NH2 3.11Å; G165-R314 PolarHBondContact O-NH2 2.98Å; L172-R314 HydrophobicContact CD2-CB 4.1Å; L172-R314 HydrophobicContact CD2-CG 4.05Å; G312-R314 CarbonylContact C-O 3.51Å; G312-R314 PolarHBondContact N-O 2.92Å; G312-R314 PolarHBondContact O-N 2.93Å
315	L	89.8	Confident	91.2	Very high	11 Å²	11	20.8 Å²	20.8	6%	0.058	10%	0.097	C	C	.	.	S	Bend	trans	-66.2	-39.6	-179.1	-66	177.6	0	0	0	113.2	L172 R311 S334 W337	L172-L315 HydrophobicContact CD1-CD1 3.74Å; L172-L315 HydrophobicContact CD1-CG 3.88Å; R311-L315 VanDerWaalsContact CZ-CD2 3.47Å; L315-S334 PolarHBondContact O-OG 3.24Å; L315-W337 HydrophobicContact CB-CB 3.98Å; L315-W337 HydrophobicContact CB-CG 3.93Å; L315-W337 HydrophobicContact CD1-CB 4.47Å
316	G	90	Very high	90.9	Very high	6 Å²	6	21.6 Å²	21.6	6%	0.062	10%	0.098	C	C	.	.			trans	-85.5	153.8	176.5	0	0	0	0	0	113.2	S188	S188-G316 WeakPolarHBondContact OG-CA 3.49Å; S188-G316 PolarHBondContact OG-N 2.8Å
317	S	89.7	Confident	90.5	Very high	20 Å²	20	21.6 Å²	21.6	14%	0.14	10%	0.098	C	C	.	.			trans	-134.4	142.8	176.2	-176.6	0	0	0	0	110.2	R319 F320	S317-R319 PolarHBondContact O-N 3.01Å; S317-R319 VanDerWaalsContact O-N 3.11Å; S317-F320 VanDerWaalsContact O-CB 3.3Å; S317-F320 WeakPolarHBondContact O-CB 3.48Å; S317-F320 PolarHBondContact O-N 3.32Å
318	F	91.9	Very high	90.4	Very high	63 Å²	63	21.5 Å²	21.5	28%	0.276	10%	0.098	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.8	-33.8	174.6	-62	-72.2	0	0	0	112.6	Y163 L204 F205 H206 F320 L321 E322	Y163-F318 HydrophobicContact CE1-CE1 4.44Å; Y163-F318 AromaticContact CE1-CZ 3.82Å; Y163-F318 HydrophobicContact CE1-CZ 3.82Å; Y163-F318 WeakPolarHBondContact OH-CZ 3.24Å; L204-F318 HydrophobicContact CB-CD1 4.26Å; L204-F318 HydrophobicContact CB-CE1 4.44Å; L204-F318 HydrophobicContact CD1-CE1 4.49Å; L204-F318 HydrophobicContact CD2-CD1 3.86Å; L204-F318 HydrophobicContact CD2-CD2 3.91Å; L204-F318 HydrophobicContact CD2-CE1 3.67Å; L204-F318 HydrophobicContact CD2-CE2 3.71Å; L204-F318 HydrophobicContact CD2-CG 3.99Å; L204-F318 HydrophobicContact CD2-CZ 3.6Å; L204-F318 HydrophobicContact CG-CD1 3.76Å; L204-F318 HydrophobicContact CG-CE1 3.5Å; L204-F318 HydrophobicContact CG-CE2 4.46Å; L204-F318 HydrophobicContact CG-CG 4.37Å; L204-F318 HydrophobicContact CG-CZ 3.9Å; F205-F318 VanDerWaalsContact C-CE1 3.47Å; F205-F318 WeakPolarHBondContact O-CE1 2.98Å; H206-F318 HydrophobicContact CB-CD1 4.17Å; H206-F318 HydrophobicContact CB-CE1 4.06Å; F318-F320 PolarHBondContact O-N 2.66Å; F318-F320 VanDerWaalsContact O-N 3.07Å; F318-L321 PolarHBondContact O-N 3.27Å; F318-E322 PolarHBondContact O-N 3.02Å
319	R	92.6	Very high	90.5	Very high	12 Å²	12	21.5 Å²	21.5	5%	0.045	10%	0.098	C	C	.	.	H	α-helix	trans	-59.6	-20.3	178.2	-173.9	158.7	47	125.3	16.2	115.6	F239 R253 Y297 L308 P310 S317 L321 E322 A323	F239-R319 VanDerWaalsContact CE2-CZ 3.45Å; F239-R319 VanDerWaalsContact CE2-NH2 3.29Å; R253-R319 VanDerWaalsContact NH2-NH2 3.11Å; Y297-R319 VanDerWaalsContact OH-CD 3.27Å; Y297-R319 WeakPolarHBondContact OH-CD 3.33Å; Y297-R319 WeakPolarHBondContact OH-CG 3.41Å; L308-R319 PolarHBondContact O-NH1 3.02Å; L308-R319 PolarHBondContact O-NH2 3.31Å; P310-R319 VanDerWaalsContact CG-NH2 3.26Å; S317-R319 PolarHBondContact O-N 3.01Å; S317-R319 VanDerWaalsContact O-N 3.11Å; R319-L321 VanDerWaalsContact C-N 3.29Å; R319-L321 PolarHBondContact O-N 3.3Å; R319-E322 VanDerWaalsContact CA-OE2 3.23Å; R319-E322 WeakPolarHBondContact CA-OE2 3.25Å; R319-A323 WeakPolarHBondContact O-CB 3.34Å; R319-A323 PolarHBondContact O-N 2.49Å
320	F	95.9	Very high	90.6	Very high	2 Å²	2	21.4 Å²	21.4	1%	0.009	10%	0.097	C	C	.	.	H	α-helix	trans	-58.1	-45.8	170	-178.7	-110.2	0	0	0	111.1	V309 S317 F318 L324 P330 I332 W337 L339 P340 W347 T351	V309-F320 HydrophobicContact CG1-CB 4.25Å; S317-F320 VanDerWaalsContact O-CB 3.3Å; S317-F320 WeakPolarHBondContact O-CB 3.48Å; S317-F320 PolarHBondContact O-N 3.32Å; F318-F320 PolarHBondContact O-N 2.66Å; F318-F320 VanDerWaalsContact O-N 3.07Å; F320-L324 HydrophobicContact CD1-CD1 4.15Å; F320-L324 HydrophobicContact CE1-CD1 3.69Å; F320-L324 HydrophobicContact CE2-CD1 4.42Å; F320-L324 HydrophobicContact CZ-CD1 3.86Å; F320-L324 VanDerWaalsContact O-CG 3.31Å; F320-L324 WeakPolarHBondContact O-CG 3.47Å; F320-L324 PolarHBondContact O-N 3.19Å; F320-P330 HydrophobicContact CD2-CB 4.07Å; F320-P330 HydrophobicContact CD2-CG 4.21Å; F320-P330 HydrophobicContact CE2-CB 4.16Å; F320-P330 HydrophobicContact CE2-CG 4.17Å; F320-I332 HydrophobicContact CD2-CD1 3.76Å; F320-I332 HydrophobicContact CE2-CD1 3.82Å; F320-W337 HydrophobicContact CB-CH2 3.89Å; F320-W337 HydrophobicContact CD1-CH2 4.05Å; F320-W337 AromaticContact CD2-CH2 3.86Å; F320-W337 HydrophobicContact CD2-CH2 3.86Å; F320-W337 HydrophobicContact CD2-CZ3 4.15Å; F320-W337 HydrophobicContact CE2-CH2 4.39Å; F320-W337 AromaticContact CG-CH2 3.65Å; F320-W337 HydrophobicContact CG-CH2 3.65Å; F320-W337 HydrophobicContact CG-CZ3 4.36Å; F320-L339 HydrophobicContact CE2-CD2 4.11Å; F320-L339 HydrophobicContact CZ-CD2 4.25Å; F320-P340 HydrophobicContact CD1-CG 4.11Å; F320-P340 HydrophobicContact CE1-CG 3.71Å; F320-W347 AromaticContact CE1-CH2 3.73Å; F320-W347 HydrophobicContact CE1-CH2 3.73Å; F320-W347 AromaticContact CE1-CZ2 3.98Å; F320-W347 HydrophobicContact CE1-CZ2 3.98Å; F320-W347 HydrophobicContact CE1-CZ3 4.31Å; F320-W347 HydrophobicContact CE2-CZ3 4.44Å; F320-W347 HydrophobicContact CZ-CD2 4.33Å; F320-W347 HydrophobicContact CZ-CE3 4.03Å; F320-W347 AromaticContact CZ-CH2 3.42Å; F320-W347 HydrophobicContact CZ-CH2 3.42Å; F320-W347 VanDerWaalsContact CZ-CH2 3.42Å; F320-W347 AromaticContact CZ-CZ2 3.75Å; F320-W347 HydrophobicContact CZ-CZ2 3.75Å; F320-W347 AromaticContact CZ-CZ3 3.58Å; F320-W347 HydrophobicContact CZ-CZ3 3.58Å; F320-T351 HydrophobicContact CE2-CG2 4.12Å
321	L	94.6	Very high	90.8	Very high	11 Å²	11	21.4 Å²	21.4	6%	0.058	10%	0.097	C	C	.	.	H	α-helix	trans	-71.7	-42.1	179.1	-66.7	-174	0	0	0	112.1	A203 L204 F205 F318 R319 A323 L324 E325 Y391 F395	A203-L321 HydrophobicContact CB-CD1 3.86Å; A203-L321 HydrophobicContact CB-CD2 3.5Å; A203-L321 HydrophobicContact CB-CG 3.8Å; L204-L321 WeakPolarHBondContact O-CD1 3.5Å; F205-L321 HydrophobicContact CB-CD1 3.85Å; F318-L321 PolarHBondContact O-N 3.27Å; R319-L321 VanDerWaalsContact C-N 3.29Å; R319-L321 PolarHBondContact O-N 3.3Å; L321-A323 VanDerWaalsContact C-N 3.27Å; L321-A323 PolarHBondContact O-N 2.85Å; L321-L324 HydrophobicContact CD2-CD1 4.47Å; L321-L324 PolarHBondContact O-N 2.76Å; L321-E325 WeakPolarHBondContact O-CB 3.44Å; L321-E325 PolarHBondContact O-N 2.89Å; L321-Y391 HydrophobicContact CB-CE2 4.46Å; L321-F395 HydrophobicContact CD2-CB 3.65Å; L321-F395 HydrophobicContact CD2-CD1 3.81Å; L321-F395 HydrophobicContact CD2-CD2 4.32Å; L321-F395 HydrophobicContact CD2-CG 3.66Å
322	E	92	Very high	91.2	Very high	68 Å²	68	18.9 Å²	18.9	32%	0.318	9%	0.088	S	C	.	.	H	α-helix	trans	-59.6	-39.8	178.1	-61.5	160.7	-178.8	0	0	111.4	Y297 M301 F318 R319 E325 K326	Y297-E322 PolarHBondContact OH-OE2 3.41Å; M301-E322 VanDerWaalsContact CE-C 3.45Å; M301-E322 HydrophobicContact CE-CB 3.94Å; M301-E322 HydrophobicContact SD-CB 4.45Å; F318-E322 PolarHBondContact O-N 3.02Å; R319-E322 VanDerWaalsContact CA-OE2 3.23Å; R319-E322 WeakPolarHBondContact CA-OE2 3.25Å; E322-E325 PolarHBondContact O-N 3.13Å; E322-K326 WeakPolarHBondContact O-CG 3.41Å; E322-K326 PolarHBondContact O-N 3.16Å
323	A	93.9	Very high	91.7	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-64.7	-46.4	176.8	0	0	0	0	0	111.5	M301 C307 R319 L321 E325 K326 G327 C328 P330	M301-A323 HydrophobicContact CE-CB 3.94Å; M301-A323 VanDerWaalsContact CE-N 3.34Å; C307-A323 HydrophobicContact CB-CB 3.88Å; R319-A323 WeakPolarHBondContact O-CB 3.34Å; R319-A323 PolarHBondContact O-N 2.49Å; L321-A323 VanDerWaalsContact C-N 3.27Å; L321-A323 PolarHBondContact O-N 2.85Å; A323-E325 PolarHBondContact O-N 2.85Å; A323-K326 PolarHBondContact O-N 3.39Å; A323-G327 PolarHBondContact O-N 3.05Å; A323-G327 VanDerWaalsContact O-N 3.17Å; A323-C328 CarbonylContact C-O 3.57Å; A323-C328 WeakPolarHBondContact CB-O 3.15Å; A323-C328 PolarHBondContact O-N 3.18Å; A323-C328 VanDerWaalsContact O-O 3.07Å; A323-P330 HydrophobicContact CB-CG 3.92Å
324	L	92.8	Very high	92.2	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-63.2	-41.4	176.8	-63.1	173.8	0	0	0	112.1	F320 L321 K326 G327 P330 W347 A387 R388 Y391 F395	F320-L324 HydrophobicContact CD1-CD1 4.15Å; F320-L324 HydrophobicContact CE1-CD1 3.69Å; F320-L324 HydrophobicContact CE2-CD1 4.42Å; F320-L324 HydrophobicContact CZ-CD1 3.86Å; F320-L324 VanDerWaalsContact O-CG 3.31Å; F320-L324 WeakPolarHBondContact O-CG 3.47Å; F320-L324 PolarHBondContact O-N 3.19Å; L321-L324 HydrophobicContact CD2-CD1 4.47Å; L321-L324 PolarHBondContact O-N 2.76Å; L324-K326 VanDerWaalsContact C-N 3.33Å; L324-K326 PolarHBondContact O-N 2.89Å; L324-G327 PolarHBondContact O-N 2.76Å; L324-G327 VanDerWaalsContact O-N 3.08Å; L324-P330 HydrophobicContact CD2-CG 3.67Å; L324-P330 HydrophobicContact CG-CG 4.06Å; L324-W347 HydrophobicContact CD1-CH2 3.84Å; L324-W347 HydrophobicContact CD1-CZ3 3.96Å; L324-W347 HydrophobicContact CD2-CZ3 4.13Å; L324-A387 HydrophobicContact CD2-CB 3.63Å; L324-R388 VanDerWaalsContact O-CA 3.3Å; L324-R388 WeakPolarHBondContact O-CA 3.26Å; L324-R388 PolarHBondContact O-N 3.4Å; L324-Y391 HydrophobicContact CB-CD2 4.33Å; L324-Y391 HydrophobicContact CB-CG 4.48Å; L324-F395 HydrophobicContact CD1-CD2 4.48Å
325	E	88.8	Confident	92.3	Very high	67 Å²	67	16.4 Å²	16.4	31%	0.313	8%	0.081	S	C	.	.	H	α-helix	trans	-56.3	-46.3	178.1	-177.9	177.9	157.2	0	0	112.3	L321 E322 A323 G327 R388 Y391	L321-E325 WeakPolarHBondContact O-CB 3.44Å; L321-E325 PolarHBondContact O-N 2.89Å; E322-E325 PolarHBondContact O-N 3.13Å; A323-E325 PolarHBondContact O-N 2.85Å; E325-G327 VanDerWaalsContact C-N 3.26Å; E325-G327 PolarHBondContact O-N 2.99Å; E325-R388 PolarHBondContact O-NH1 3.49Å; E325-Y391 HydrophobicContact CB-CD1 4.08Å; E325-Y391 HydrophobicContact CB-CD2 3.94Å; E325-Y391 HydrophobicContact CB-CE1 3.82Å; E325-Y391 HydrophobicContact CB-CE2 3.64Å; E325-Y391 HydrophobicContact CB-CG 4.14Å; E325-Y391 HydrophobicContact CG-CD1 4.22Å; E325-Y391 HydrophobicContact CG-CE1 3.61Å; E325-Y391 HydrophobicContact CG-CE2 4.17Å; E325-Y391 PolarHBondContact OE2-OH 3.38Å
326	K	87.4	Confident	92.3	Very high	36 Å²	36	19.3 Å²	19.3	16%	0.157	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-3.7	179.7	-58.5	-58.3	-174.5	172.5	0	113.3	M301 Q302 E322 A323 L324 C328	M301-K326 HydrophobicContact CB-CG 4.37Å; Q302-K326 HydrophobicContact CG-CD 3.95Å; Q302-K326 VanDerWaalsContact NE2-NZ 3.19Å; E322-K326 WeakPolarHBondContact O-CG 3.41Å; E322-K326 PolarHBondContact O-N 3.16Å; A323-K326 PolarHBondContact O-N 3.39Å; L324-K326 VanDerWaalsContact C-N 3.33Å; L324-K326 PolarHBondContact O-N 2.89Å; K326-C328 PolarHBondContact O-N 2.67Å
327	G	88.2	Confident	92.5	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.6	13.4	-174.6	0	0	0	0	0	113.7	A323 L324 E325 R384	A323-G327 PolarHBondContact O-N 3.05Å; A323-G327 VanDerWaalsContact O-N 3.17Å; L324-G327 PolarHBondContact O-N 2.76Å; L324-G327 VanDerWaalsContact O-N 3.08Å; E325-G327 VanDerWaalsContact C-N 3.26Å; E325-G327 PolarHBondContact O-N 2.99Å; G327-R384 WeakPolarHBondContact O-CA 3.44Å; G327-R384 WeakPolarHBondContact O-CB 2.88Å; G327-R384 VanDerWaalsContact O-CG 3.27Å; G327-R384 WeakPolarHBondContact O-CG 3.34Å; G327-R384 PolarHBondContact O-NH1 3.36Å
328	C	93.2	Very high	92.8	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	9%	0.091	C	C	.	.	P	Polyproline II helix	trans	-81.7	116.3	176.5	-169.5	0	0	0	0	109.4	C307 A323 K326 P330	C307-C328 VanDerWaalsContact CA-SG 3.54Å; C307-C328 HydrophobicContact CB-CB 3.91Å; C307-C328 WeakPolarHBondContact CB-SG 3.09Å; C307-C328 PolarHBondContact N-SG 2.83Å; C307-C328 WeakPolarHBondContact SG-CB 3.42Å; C307-C328 CovalentContact SG-SG 2.03Å; C307-C328 PolarHBondContact SG-SG 3.21Å; A323-C328 CarbonylContact C-O 3.57Å; A323-C328 WeakPolarHBondContact CB-O 3.15Å; A323-C328 PolarHBondContact O-N 3.18Å; A323-C328 VanDerWaalsContact O-O 3.07Å; K326-C328 PolarHBondContact O-N 2.67Å; C328-P330 WeakPolarHBondContact O-CD 3.44Å; C328-P330 VanDerWaalsContact O-N 3.16Å
329	I	96.3	Very high	93.1	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	118.3	-169.3	-60.5	164.4	0	0	0	109.8	S305 F306 C307 V331 V352 I380 M383 R384	S305-I329 PolarHBondContact O-N 2.95Å; F306-I329 WeakPolarHBondContact CA-O 3.27Å; F306-I329 HydrophobicContact CD1-CB 3.58Å; F306-I329 HydrophobicContact CD1-CD1 4.08Å; F306-I329 HydrophobicContact CD1-CG1 4.44Å; F306-I329 HydrophobicContact CD1-CG2 3.72Å; F306-I329 HydrophobicContact CE1-CB 3.91Å; F306-I329 HydrophobicContact CE1-CD1 3.63Å; F306-I329 HydrophobicContact CE1-CG1 4.41Å; F306-I329 HydrophobicContact CE1-CG2 3.81Å; F306-I329 HydrophobicContact CG-CB 4.44Å; F306-I329 HydrophobicContact CZ-CD1 4.09Å; C307-I329 PolarHBondContact N-O 2.87Å; I329-V331 PolarHBondContact O-N 3.27Å; I329-V352 HydrophobicContact CG2-CG2 4.35Å; I329-I380 HydrophobicContact CD1-CB 4.42Å; I329-I380 HydrophobicContact CD1-CG2 3.82Å; I329-M383 HydrophobicContact CD1-CB 3.5Å; I329-M383 VanDerWaalsContact CD1-CB 3.5Å; I329-M383 HydrophobicContact CD1-CG 4.5Å; I329-M383 HydrophobicContact CD1-SD 4.33Å; I329-M383 HydrophobicContact CG1-CB 3.88Å; I329-M383 HydrophobicContact CG2-CE 3.79Å; I329-R384 HydrophobicContact CD1-CG 3.91Å; I329-R384 HydrophobicContact CG1-CG 3.84Å
330	P	97.4	Very high	93.3	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65	124.3	179	-22.7	34.4	0	0	0	112.2	C307 V309 F320 A323 L324 C328 I332 A350 T351 V352	C307-P330 CarbonylContact O-C 3.51Å; C307-P330 WeakPolarHBondContact O-CA 3.48Å; V309-P330 HydrophobicContact CG2-CB 3.91Å; F320-P330 HydrophobicContact CD2-CB 4.07Å; F320-P330 HydrophobicContact CD2-CG 4.21Å; F320-P330 HydrophobicContact CE2-CB 4.16Å; F320-P330 HydrophobicContact CE2-CG 4.17Å; A323-P330 HydrophobicContact CB-CG 3.92Å; L324-P330 HydrophobicContact CD2-CG 3.67Å; L324-P330 HydrophobicContact CG-CG 4.06Å; C328-P330 WeakPolarHBondContact O-CD 3.44Å; C328-P330 VanDerWaalsContact O-N 3.16Å; P330-I332 HydrophobicContact CB-CD1 3.67Å; P330-A350 VanDerWaalsContact CD-O 3.31Å; P330-A350 WeakPolarHBondContact CD-O 3.17Å; P330-T351 HydrophobicContact CB-CG2 4.12Å; P330-T351 HydrophobicContact CG-CG2 4.22Å; P330-T351 WeakPolarHBondContact O-CA 3.26Å; P330-T351 WeakPolarHBondContact O-CB 3.49Å; P330-V352 PolarHBondContact O-N 2.91Å
331	V	97	Very high	93.4	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	97	168.7	-177.1	0	0	0	0	108.2	L237 F306 C307 L308 V309 I329 L333 V352 A354 I368 L372	L237-V331 HydrophobicContact CD1-CB 4.34Å; L237-V331 HydrophobicContact CD1-CG2 3.92Å; F306-V331 HydrophobicContact CB-CG2 3.77Å; F306-V331 HydrophobicContact CD1-CG2 3.88Å; F306-V331 HydrophobicContact CG-CG2 4.18Å; C307-V331 PolarHBondContact O-N 3.46Å; L308-V331 HydrophobicContact CD1-CB 3.95Å; L308-V331 HydrophobicContact CD1-CG1 3.77Å; V309-V331 PolarHBondContact N-O 3.23Å; I329-V331 PolarHBondContact O-N 3.27Å; V331-L333 PolarHBondContact O-N 2.99Å; V331-V352 CarbonylContact C-O 3.56Å; V331-V352 VanDerWaalsContact CA-O 3.28Å; V331-V352 WeakPolarHBondContact CA-O 3.45Å; V331-V352 HydrophobicContact CG2-CB 4.29Å; V331-A354 HydrophobicContact CG1-CB 4.13Å; V331-I368 HydrophobicContact CG1-CG2 4.24Å; V331-L372 HydrophobicContact CG2-CD1 4.03Å; V331-L372 HydrophobicContact CG2-CD2 3.92Å
332	I	95.6	Very high	93.4	Very high	2 Å²	2	16.9 Å²	16.9	1%	0.01	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	121	-172.3	-50.4	-52.4	0	0	0	109.9	V309 F320 P330 W337 L339 V352 R353 A354	V309-I332 HydrophobicContact CB-CD1 4.08Å; V309-I332 HydrophobicContact CG2-CD1 4.46Å; F320-I332 HydrophobicContact CD2-CD1 3.76Å; F320-I332 HydrophobicContact CE2-CD1 3.82Å; P330-I332 HydrophobicContact CB-CD1 3.67Å; I332-W337 HydrophobicContact CD1-CZ3 4.12Å; I332-W337 HydrophobicContact CG2-CE3 3.77Å; I332-W337 HydrophobicContact CG2-CZ3 4.13Å; I332-L339 HydrophobicContact CD1-CD2 4.33Å; I332-L339 HydrophobicContact CG1-CD2 4.26Å; I332-L339 HydrophobicContact CG2-CD2 4.46Å; I332-V352 PolarHBondContact N-O 3.45Å; I332-R353 HydrophobicContact CB-CG 4.42Å; I332-A354 PolarHBondContact O-N 3.25Å; I332-A354 VanDerWaalsContact O-O 3.13Å
333	L	92	Very high	93.5	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	63.1	-179.4	-168.1	65	0	0	0	108.3	T252 L256 L308 V309 P310 R311 V331 A354 E356 L359 I368	T252-L333 HydrophobicContact CG2-CD2 4.42Å; L256-L333 HydrophobicContact CD2-CD2 4.16Å; L308-L333 HydrophobicContact CD1-CD2 4.2Å; L308-L333 HydrophobicContact CD2-CD2 4.07Å; L308-L333 HydrophobicContact CG-CD2 4.32Å; V309-L333 PolarHBondContact O-N 3.08Å; P310-L333 VanDerWaalsContact CA-O 3.29Å; P310-L333 WeakPolarHBondContact CA-O 3.35Å; P310-L333 HydrophobicContact CB-CB 4.26Å; P310-L333 HydrophobicContact CB-CD2 4.22Å; R311-L333 PolarHBondContact N-O 3.43Å; R311-L333 VanDerWaalsContact N-O 3.08Å; V331-L333 PolarHBondContact O-N 2.99Å; L333-A354 HydrophobicContact CD1-CB 3.8Å; L333-E356 HydrophobicContact CD1-CB 4.5Å; L333-E356 HydrophobicContact CD1-CG 4Å; L333-E356 HydrophobicContact CG-CG 3.91Å; L333-L359 HydrophobicContact CD2-CD1 3.54Å; L333-L359 HydrophobicContact CD2-CD2 4.04Å; L333-L359 HydrophobicContact CD2-CG 3.98Å; L333-L359 HydrophobicContact CG-CD1 4.26Å; L333-I368 HydrophobicContact CD1-CD1 4.15Å
334	S	90	Very high	93.5	Very high	2 Å²	2	16.1 Å²	16.1	1%	0.014	9%	0.085	C	C	.	.			trans	-152.5	86.9	-173.8	-59.6	0	0	0	0	108.8	R311 L315 W337 E356	R311-S334 VanDerWaalsContact CA-OG 3.25Å; R311-S334 WeakPolarHBondContact CA-OG 3.49Å; R311-S334 WeakPolarHBondContact CB-OG 3.32Å; R311-S334 PolarHBondContact N-OG 3.31Å; L315-S334 PolarHBondContact O-OG 3.24Å; S334-W337 WeakPolarHBondContact O-CB 3.28Å; S334-W337 PolarHBondContact O-N 2.9Å; S334-E356 WeakPolarHBondContact CA-OE2 3.32Å
335	N	89.6	Confident	93.6	Very high	44 Å²	44	16.2 Å²	16.2	24%	0.235	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	142.8	177	-67.4	-6.7	0	0	0	109.8	R311 W337 D355 E356	R311-N335 PolarHBondContact NH2-O 3.46Å; N335-W337 PolarHBondContact O-N 3.47Å; N335-D355 PolarHBondContact ND2-OD1 3.38Å; N335-E356 WeakPolarHBondContact CB-OE2 3.3Å; N335-E356 PolarHBondContact N-OE2 3.42Å; N335-E356 PolarHBondContact OD1-N 2.02Å
336	D	90.5	Very high	93.8	Very high	73 Å²	73	15 Å²	15	39%	0.39	8%	0.081	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.2	3	-176.8	-60.7	-34.6	0	0	0	117.3	S190 T191 V338	S190-D336 CarbonylContact C-O 3.4Å; S190-D336 WeakPolarHBondContact CA-O 3.03Å; T191-D336 PolarHBondContact N-O 3.4Å; T191-D336 WeakPolarHBondContact OG1-CB 3.38Å; T191-D336 PolarHBondContact OG1-OD1 3.17Å; D336-V338 PolarHBondContact O-N 2.87Å
337	W	94.2	Very high	94.3	Very high	4 Å²	4	14 Å²	14	2%	0.015	8%	0.076	C	C	.	.	B	Isolated β-bridge	trans	-72.4	121.4	175.8	-174.5	26.2	0	0	0	111.9	L315 F320 I332 S334 N335 L339 P340 R353	L315-W337 HydrophobicContact CB-CB 3.98Å; L315-W337 HydrophobicContact CB-CG 3.93Å; L315-W337 HydrophobicContact CD1-CB 4.47Å; F320-W337 HydrophobicContact CB-CH2 3.89Å; F320-W337 HydrophobicContact CD1-CH2 4.05Å; F320-W337 AromaticContact CD2-CH2 3.86Å; F320-W337 HydrophobicContact CD2-CH2 3.86Å; F320-W337 HydrophobicContact CD2-CZ3 4.15Å; F320-W337 HydrophobicContact CE2-CH2 4.39Å; F320-W337 AromaticContact CG-CH2 3.65Å; F320-W337 HydrophobicContact CG-CH2 3.65Å; F320-W337 HydrophobicContact CG-CZ3 4.36Å; I332-W337 HydrophobicContact CD1-CZ3 4.12Å; I332-W337 HydrophobicContact CG2-CE3 3.77Å; I332-W337 HydrophobicContact CG2-CZ3 4.13Å; S334-W337 WeakPolarHBondContact O-CB 3.28Å; S334-W337 PolarHBondContact O-N 2.9Å; N335-W337 PolarHBondContact O-N 3.47Å; W337-L339 HydrophobicContact CD2-CD2 3.89Å; W337-L339 HydrophobicContact CE3-CD2 3.51Å; W337-L339 HydrophobicContact CH2-CD2 3.67Å; W337-L339 HydrophobicContact CZ2-CD2 4.03Å; W337-L339 HydrophobicContact CZ3-CD2 3.41Å; W337-L339 VanDerWaalsContact CZ3-CD2 3.41Å; W337-L339 PolarHBondContact O-N 3.37Å; W337-P340 HydrophobicContact CZ2-CG 4.22Å; W337-R353 PolarHBondContact O-NH2 3.4Å
338	V	95.4	Very high	94.5	Very high	13 Å²	13	17.5 Å²	17.5	8%	0.079	10%	0.101	C	C	.	.			trans	-79.3	108	168.3	-177.3	0	0	0	0	108.5	F189 T191 Y194 S201 D336 S342	F189-V338 HydrophobicContact CB-CB 4.01Å; F189-V338 HydrophobicContact CB-CG2 4.31Å; F189-V338 PolarHBondContact O-N 3.22Å; T191-V338 HydrophobicContact CG2-CG2 3.96Å; Y194-V338 HydrophobicContact CD1-CG1 3.94Å; Y194-V338 HydrophobicContact CD1-CG2 4.1Å; Y194-V338 HydrophobicContact CD2-CG1 4.37Å; Y194-V338 HydrophobicContact CE1-CG1 3.98Å; Y194-V338 HydrophobicContact CE2-CG1 4.41Å; Y194-V338 HydrophobicContact CG-CG1 4.14Å; Y194-V338 HydrophobicContact CG-CG2 4.07Å; S201-V338 PolarHBondContact OG-O 2.93Å; D336-V338 PolarHBondContact O-N 2.87Å; V338-S342 WeakPolarHBondContact CG1-OG 3.09Å
339	L	97.1	Very high	94.5	Very high	4 Å²	4	19.1 Å²	19.1	2%	0.021	11%	0.109	C	C	.	.			trans	-63.4	153.6	-177.5	-69.3	174.6	0	0	0	111.7	S201 F320 I332 W337 F341 S342 W347	S201-L339 WeakPolarHBondContact CB-O 3.05Å; S201-L339 PolarHBondContact OG-O 3.04Å; F320-L339 HydrophobicContact CE2-CD2 4.11Å; F320-L339 HydrophobicContact CZ-CD2 4.25Å; I332-L339 HydrophobicContact CD1-CD2 4.33Å; I332-L339 HydrophobicContact CG1-CD2 4.26Å; I332-L339 HydrophobicContact CG2-CD2 4.46Å; W337-L339 HydrophobicContact CD2-CD2 3.89Å; W337-L339 HydrophobicContact CE3-CD2 3.51Å; W337-L339 HydrophobicContact CH2-CD2 3.67Å; W337-L339 HydrophobicContact CZ2-CD2 4.03Å; W337-L339 HydrophobicContact CZ3-CD2 3.41Å; W337-L339 VanDerWaalsContact CZ3-CD2 3.41Å; W337-L339 PolarHBondContact O-N 3.37Å; L339-F341 PolarHBondContact O-N 3.47Å; L339-S342 VanDerWaalsContact O-CB 3.27Å; L339-S342 WeakPolarHBondContact O-CB 3.34Å; L339-S342 PolarHBondContact O-N 2.85Å; L339-S342 PolarHBondContact O-OG 3.31Å; L339-W347 HydrophobicContact CB-CD2 4.38Å; L339-W347 HydrophobicContact CB-CG 3.98Å; L339-W347 HydrophobicContact CD1-CB 3.53Å; L339-W347 HydrophobicContact CD1-CD2 4.1Å; L339-W347 HydrophobicContact CD1-CG 3.46Å; L339-W347 VanDerWaalsContact CD1-CG 3.46Å; L339-W347 HydrophobicContact CG-CG 4.36Å
340	P	97.4	Very high	94.5	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	134	-178.6	-27.4	38.4	0	0	0	112.1	S201 A203 F320 W337 S342 W347 F395	S201-P340 CarbonylContact O-C 3.59Å; S201-P340 WeakPolarHBondContact O-CA 3.27Å; A203-P340 VanDerWaalsContact CA-CG 3.43Å; A203-P340 HydrophobicContact CB-CB 3.98Å; A203-P340 HydrophobicContact CB-CG 3.6Å; F320-P340 HydrophobicContact CD1-CG 4.11Å; F320-P340 HydrophobicContact CE1-CG 3.71Å; W337-P340 HydrophobicContact CZ2-CG 4.22Å; P340-S342 PolarHBondContact O-N 3.02Å; P340-W347 HydrophobicContact CB-CZ2 4.35Å; P340-W347 VanDerWaalsContact O-CE2 3.28Å; P340-W347 VanDerWaalsContact O-CZ2 3.26Å; P340-W347 WeakPolarHBondContact O-CZ2 3.39Å; P340-W347 PolarHBondContact O-NE1 3.42Å; P340-F395 HydrophobicContact CB-CE1 3.75Å; P340-F395 HydrophobicContact CB-CZ 3.76Å
341	F	97.2	Very high	94.5	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	51	27.8	179.7	-48.6	-43.1	0	0	0	115	V200 S201 L202 L339 E343 V344 I345 F395 I401 T404 V405 I408	V200-F341 HydrophobicContact CG1-CD1 3.72Å; V200-F341 HydrophobicContact CG1-CE1 3.75Å; S201-F341 WeakPolarHBondContact O-CD1 3.37Å; S201-F341 PolarHBondContact O-N 3.3Å; L202-F341 HydrophobicContact CD2-CE1 3.64Å; L202-F341 HydrophobicContact CD2-CZ 3.99Å; L339-F341 PolarHBondContact O-N 3.47Å; F341-E343 PolarHBondContact O-N 3.03Å; F341-V344 HydrophobicContact CB-CG2 3.89Å; F341-V344 VanDerWaalsContact O-CG2 3.3Å; F341-V344 WeakPolarHBondContact O-CG2 3.28Å; F341-V344 PolarHBondContact O-N 2.93Å; F341-I345 HydrophobicContact CB-CD1 3.87Å; F341-I345 HydrophobicContact CB-CG1 4.06Å; F341-I345 HydrophobicContact CD2-CD1 4.09Å; F341-I345 PolarHBondContact O-N 3.39Å; F341-F395 AromaticContact CD2-CE1 3.56Å; F341-F395 HydrophobicContact CD2-CE1 3.56Å; F341-F395 HydrophobicContact CD2-CE2 4.39Å; F341-F395 AromaticContact CD2-CZ 3.41Å; F341-F395 HydrophobicContact CD2-CZ 3.41Å; F341-F395 VanDerWaalsContact CD2-CZ 3.41Å; F341-F395 HydrophobicContact CE2-CD1 4.12Å; F341-F395 AromaticContact CE2-CE1 3.35Å; F341-F395 HydrophobicContact CE2-CE1 3.35Å; F341-F395 AromaticContact CE2-CZ 3.7Å; F341-F395 HydrophobicContact CE2-CZ 3.7Å; F341-F395 HydrophobicContact CG-CZ 4.44Å; F341-F395 HydrophobicContact CZ-CE1 4.31Å; F341-I401 HydrophobicContact CZ-CG2 4.14Å; F341-T404 HydrophobicContact CD1-CG2 4.02Å; F341-T404 HydrophobicContact CD2-CG2 3.57Å; F341-T404 HydrophobicContact CE1-CG2 3.9Å; F341-T404 HydrophobicContact CE2-CG2 3.44Å; F341-T404 VanDerWaalsContact CE2-CG2 3.44Å; F341-T404 HydrophobicContact CG-CG2 3.87Å; F341-T404 HydrophobicContact CZ-CG2 3.61Å; F341-V405 HydrophobicContact CE1-CG2 3.76Å; F341-V405 HydrophobicContact CZ-CG2 4.17Å; F341-I408 HydrophobicContact CB-CD1 4.08Å; F341-I408 HydrophobicContact CD1-CD1 3.51Å; F341-I408 HydrophobicContact CE1-CD1 4.19Å; F341-I408 HydrophobicContact CG-CD1 3.99Å
342	S	95.3	Very high	94.5	Very high	41 Å²	41	20.2 Å²	20.2	29%	0.287	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-11.8	-173.6	61.6	0	0	0	0	115.4	V338 L339 P340	V338-S342 WeakPolarHBondContact CG1-OG 3.09Å; L339-S342 VanDerWaalsContact O-CB 3.27Å; L339-S342 WeakPolarHBondContact O-CB 3.34Å; L339-S342 PolarHBondContact O-N 2.85Å; L339-S342 PolarHBondContact O-OG 3.31Å; P340-S342 PolarHBondContact O-N 3.02Å
343	E	93.7	Very high	94.4	Very high	46 Å²	46	26.3 Å²	26.3	22%	0.215	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-29	173.9	86.4	-165	93.6	0	0	112.5	F341 I408 R412	F341-E343 PolarHBondContact O-N 3.03Å; E343-I408 VanDerWaalsContact CD-CG2 3.45Å; E343-I408 HydrophobicContact CG-CG2 4.45Å; E343-I408 WeakPolarHBondContact OE1-CG2 3.06Å; E343-R412 IonicContact OE1-CZ 3.27Å; E343-R412 IonicContact OE1-NE 3.83Å; E343-R412 IonicContact OE1-NH2 3.73Å; E343-R412 PolarHBondContact OE1-NH2 3.18Å; E343-R412 IonicContact OE2-CZ 3.6Å; E343-R412 IonicContact OE2-NE 3.58Å; E343-R412 PolarHBondContact OE2-NE 3.48Å; E343-R412 IonicContact OE2-NH2 3.06Å; E343-R412 PolarHBondContact OE2-NH2 3.49Å
344	V	93.9	Very high	94.4	Very high	7 Å²	7	27.2 Å²	27.2	4%	0.042	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.3	-35.4	-178.1	-73.2	0	0	0	0	112.1	F341 I408 W424 N425	F341-V344 HydrophobicContact CB-CG2 3.89Å; F341-V344 VanDerWaalsContact O-CG2 3.3Å; F341-V344 WeakPolarHBondContact O-CG2 3.28Å; F341-V344 PolarHBondContact O-N 2.93Å; V344-I408 HydrophobicContact CG1-CG1 4.21Å; V344-I408 HydrophobicContact CG2-CD1 3.7Å; V344-I408 HydrophobicContact CG2-CG1 3.95Å; V344-W424 HydrophobicContact CB-CB 4Å; V344-W424 HydrophobicContact CB-CD2 3.52Å; V344-W424 HydrophobicContact CB-CE3 3.86Å; V344-W424 HydrophobicContact CB-CG 3.58Å; V344-W424 HydrophobicContact CG1-CD2 3.72Å; V344-W424 HydrophobicContact CG1-CE3 4.34Å; V344-W424 HydrophobicContact CG1-CG 3.88Å; V344-W424 HydrophobicContact CG1-CZ2 4.1Å; V344-W424 HydrophobicContact CG2-CD2 3.92Å; V344-W424 HydrophobicContact CG2-CE3 3.72Å; V344-W424 HydrophobicContact CG2-CG 4.43Å; V344-W424 HydrophobicContact CG2-CZ3 4.06Å; V344-W424 WeakPolarHBondContact O-CB 3.47Å; V344-N425 PolarHBondContact O-ND2 3.3Å
345	I	95	Very high	94.3	Very high	2 Å²	2	29.3 Å²	29.3	1%	0.01	16%	0.157	C	C	.	.			trans	-86.2	128.5	177.9	-61	-178.9	0	0	0	110.6	F341 W347 L390 Y394 F395 N425	F341-I345 HydrophobicContact CB-CD1 3.87Å; F341-I345 HydrophobicContact CB-CG1 4.06Å; F341-I345 HydrophobicContact CD2-CD1 4.09Å; F341-I345 PolarHBondContact O-N 3.39Å; I345-W347 HydrophobicContact CB-CZ2 4.36Å; I345-W347 HydrophobicContact CD1-CH2 4.33Å; I345-W347 HydrophobicContact CD1-CZ2 3.9Å; I345-W347 HydrophobicContact CG2-CD2 3.67Å; I345-W347 HydrophobicContact CG2-CE3 4.01Å; I345-W347 HydrophobicContact CG2-CG 4.09Å; I345-W347 HydrophobicContact CG2-CH2 4.23Å; I345-W347 HydrophobicContact CG2-CZ2 3.89Å; I345-W347 HydrophobicContact CG2-CZ3 4.27Å; I345-W347 PolarHBondContact O-N 3.03Å; I345-L390 HydrophobicContact CD1-CD2 4.37Å; I345-L390 HydrophobicContact CG1-CD2 4.47Å; I345-L390 HydrophobicContact CG2-CD1 3.8Å; I345-L390 HydrophobicContact CG2-CD2 4.04Å; I345-Y394 HydrophobicContact CD1-CD2 3.7Å; I345-Y394 HydrophobicContact CD1-CE2 4.2Å; I345-Y394 HydrophobicContact CD1-CG 4.38Å; I345-Y394 HydrophobicContact CG1-CD2 4.35Å; I345-Y394 HydrophobicContact CG1-CE2 4.37Å; I345-F395 HydrophobicContact CD1-CE2 3.95Å; I345-F395 HydrophobicContact CD1-CZ 4.03Å; I345-N425 WeakPolarHBondContact CA-OD1 3.49Å
346	D	94.4	Very high	94.2	Very high	41 Å²	41	27.8 Å²	27.8	22%	0.219	15%	0.149	C	C	.	.			trans	-87.1	86.3	170.4	-162.1	11	0	0	0	111.8	S348 L349 R421 N425	D346-S348 PolarHBondContact O-N 3.05Å; D346-S348 PolarHBondContact OD1-OG 3.42Å; D346-L349 HydrophobicContact CB-CD1 3.95Å; D346-L349 HydrophobicContact CB-CG 4.1Å; D346-L349 WeakPolarHBondContact O-CB 3.2Å; D346-L349 WeakPolarHBondContact O-CG 3.3Å; D346-L349 PolarHBondContact O-N 3.48Å; D346-R421 VanDerWaalsContact CA-NH2 3.3Å; D346-R421 VanDerWaalsContact CG-CZ 3.46Å; D346-R421 IonicContact OD1-CZ 2.91Å; D346-R421 IonicContact OD1-NH1 3.87Å; D346-R421 IonicContact OD1-NH2 3.74Å; D346-R421 PolarHBondContact OD1-NH2 3.06Å; D346-R421 IonicContact OD2-CZ 3.67Å; D346-R421 IonicContact OD2-NH1 2.72Å; D346-R421 IonicContact OD2-NH2 3.44Å; D346-N425 PolarHBondContact N-OD1 3.47Å
347	W	96	Very high	93.8	Very high	14 Å²	14	30.5 Å²	30.5	5%	0.053	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-63.2	-14	-176.8	-71.7	112.2	0	0	0	114.7	F320 L324 L339 P340 I345 L349 A350 T351 L390 F395	F320-W347 AromaticContact CE1-CH2 3.73Å; F320-W347 HydrophobicContact CE1-CH2 3.73Å; F320-W347 AromaticContact CE1-CZ2 3.98Å; F320-W347 HydrophobicContact CE1-CZ2 3.98Å; F320-W347 HydrophobicContact CE1-CZ3 4.31Å; F320-W347 HydrophobicContact CE2-CZ3 4.44Å; F320-W347 HydrophobicContact CZ-CD2 4.33Å; F320-W347 HydrophobicContact CZ-CE3 4.03Å; F320-W347 AromaticContact CZ-CH2 3.42Å; F320-W347 HydrophobicContact CZ-CH2 3.42Å; F320-W347 VanDerWaalsContact CZ-CH2 3.42Å; F320-W347 AromaticContact CZ-CZ2 3.75Å; F320-W347 HydrophobicContact CZ-CZ2 3.75Å; F320-W347 AromaticContact CZ-CZ3 3.58Å; F320-W347 HydrophobicContact CZ-CZ3 3.58Å; L324-W347 HydrophobicContact CD1-CH2 3.84Å; L324-W347 HydrophobicContact CD1-CZ3 3.96Å; L324-W347 HydrophobicContact CD2-CZ3 4.13Å; L339-W347 HydrophobicContact CB-CD2 4.38Å; L339-W347 HydrophobicContact CB-CG 3.98Å; L339-W347 HydrophobicContact CD1-CB 3.53Å; L339-W347 HydrophobicContact CD1-CD2 4.1Å; L339-W347 HydrophobicContact CD1-CG 3.46Å; L339-W347 VanDerWaalsContact CD1-CG 3.46Å; L339-W347 HydrophobicContact CG-CG 4.36Å; P340-W347 HydrophobicContact CB-CZ2 4.35Å; P340-W347 VanDerWaalsContact O-CE2 3.28Å; P340-W347 VanDerWaalsContact O-CZ2 3.26Å; P340-W347 WeakPolarHBondContact O-CZ2 3.39Å; P340-W347 PolarHBondContact O-NE1 3.42Å; I345-W347 HydrophobicContact CB-CZ2 4.36Å; I345-W347 HydrophobicContact CD1-CH2 4.33Å; I345-W347 HydrophobicContact CD1-CZ2 3.9Å; I345-W347 HydrophobicContact CG2-CD2 3.67Å; I345-W347 HydrophobicContact CG2-CE3 4.01Å; I345-W347 HydrophobicContact CG2-CG 4.09Å; I345-W347 HydrophobicContact CG2-CH2 4.23Å; I345-W347 HydrophobicContact CG2-CZ2 3.89Å; I345-W347 HydrophobicContact CG2-CZ3 4.27Å; I345-W347 PolarHBondContact O-N 3.03Å; W347-L349 PolarHBondContact O-N 3.43Å; W347-A350 HydrophobicContact CE3-CB 4.43Å; W347-A350 PolarHBondContact O-N 2.88Å; W347-T351 HydrophobicContact CD2-CG2 4.44Å; W347-T351 HydrophobicContact CE3-CG2 3.68Å; W347-T351 HydrophobicContact CZ3-CG2 4.32Å; W347-T351 PolarHBondContact O-N 2.91Å; W347-T351 PolarHBondContact O-OG1 3.05Å; W347-L390 HydrophobicContact CE3-CD1 4.2Å; W347-L390 HydrophobicContact CH2-CD1 4.44Å; W347-L390 HydrophobicContact CZ3-CD1 3.83Å; W347-F395 AromaticContact CH2-CE2 3.75Å; W347-F395 HydrophobicContact CH2-CE2 3.75Å; W347-F395 HydrophobicContact CH2-CZ 4.15Å; W347-F395 HydrophobicContact CZ2-CE2 4.05Å; W347-F395 AromaticContact CZ2-CZ 4Å; W347-F395 HydrophobicContact CZ2-CZ 4Å
348	S	94.4	Very high	93.3	Very high	75 Å²	75	30.9 Å²	30.9	52%	0.524	16%	0.156	S	C	.	.	G	3₁₀ helix	trans	-65.8	-15.4	171	59	0	0	0	0	113.5	D346	D346-S348 PolarHBondContact O-N 3.05Å; D346-S348 PolarHBondContact OD1-OG 3.42Å
349	L	93.1	Very high	92.6	Very high	34 Å²	34	30.9 Å²	30.9	18%	0.178	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	-84.4	-13.7	177.7	-55.7	177.7	0	0	0	113.3	I27 D346 W347 M383 Q386 N425	I27-L349 HydrophobicContact CB-CD2 4.11Å; I27-L349 HydrophobicContact CD1-CD2 3.69Å; I27-L349 HydrophobicContact CG1-CD2 4.09Å; D346-L349 HydrophobicContact CB-CD1 3.95Å; D346-L349 HydrophobicContact CB-CG 4.1Å; D346-L349 WeakPolarHBondContact O-CB 3.2Å; D346-L349 WeakPolarHBondContact O-CG 3.3Å; D346-L349 PolarHBondContact O-N 3.48Å; W347-L349 PolarHBondContact O-N 3.43Å; L349-M383 WeakPolarHBondContact O-CA 3.31Å; L349-M383 WeakPolarHBondContact O-CG 3.46Å; L349-Q386 HydrophobicContact CB-CG 3.95Å; L349-N425 HydrophobicContact CD1-CB 4.18Å
350	A	95	Very high	91.6	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-140.8	-0.5	-171.1	0	0	0	0	0	114.4	P330 W347 Q386 A387 L390	P330-A350 VanDerWaalsContact CD-O 3.31Å; P330-A350 WeakPolarHBondContact CD-O 3.17Å; W347-A350 HydrophobicContact CE3-CB 4.43Å; W347-A350 PolarHBondContact O-N 2.88Å; A350-Q386 HydrophobicContact CB-CB 4.32Å; A350-Q386 HydrophobicContact CB-CG 4.02Å; A350-A387 HydrophobicContact CB-CB 4.26Å; A350-L390 HydrophobicContact CB-CD1 3.71Å
351	T	97.3	Very high	90.7	Very high	9 Å²	9	38.9 Å²	38.9	6%	0.055	19%	0.191	C	C	.	.			trans	-141	156.2	-178.1	68.3	0	0	0	0	111.4	F320 P330 W347 M383	F320-T351 HydrophobicContact CE2-CG2 4.12Å; P330-T351 HydrophobicContact CB-CG2 4.12Å; P330-T351 HydrophobicContact CG-CG2 4.22Å; P330-T351 WeakPolarHBondContact O-CA 3.26Å; P330-T351 WeakPolarHBondContact O-CB 3.49Å; W347-T351 HydrophobicContact CD2-CG2 4.44Å; W347-T351 HydrophobicContact CE3-CG2 3.68Å; W347-T351 HydrophobicContact CZ3-CG2 4.32Å; W347-T351 PolarHBondContact O-N 2.91Å; W347-T351 PolarHBondContact O-OG1 3.05Å; T351-M383 WeakPolarHBondContact O-CE 3.43Å
352	V	96.7	Very high	89.4	Confident	13 Å²	13	44.4 Å²	44.4	8%	0.079	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	135.8	167.2	179.8	0	0	0	0	107.7	F306 I329 P330 V331 I332 L372 I375 M383	F306-V352 HydrophobicContact CD1-CG2 4.34Å; F306-V352 HydrophobicContact CE1-CG2 3.88Å; I329-V352 HydrophobicContact CG2-CG2 4.35Å; P330-V352 PolarHBondContact O-N 2.91Å; V331-V352 CarbonylContact C-O 3.56Å; V331-V352 VanDerWaalsContact CA-O 3.28Å; V331-V352 WeakPolarHBondContact CA-O 3.45Å; V331-V352 HydrophobicContact CG2-CB 4.29Å; I332-V352 PolarHBondContact N-O 3.45Å; V352-L372 HydrophobicContact CB-CD2 4.26Å; V352-L372 HydrophobicContact CG1-CD2 4Å; V352-L372 HydrophobicContact CG2-CD2 4.09Å; V352-I375 HydrophobicContact CG2-CD1 3.98Å; V352-M383 HydrophobicContact CG2-CE 4.04Å
353	R	94.2	Very high	88.3	Confident	131 Å²	131	47.7 Å²	47.7	49%	0.494	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	130.3	175.2	-62.6	-173.5	74.1	105.5	-2	109.7	I332 W337	I332-R353 HydrophobicContact CB-CG 4.42Å; W337-R353 PolarHBondContact O-NH2 3.4Å
354	A	91.6	Very high	87.5	Confident	18 Å²	18	51.4 Å²	51.4	15%	0.149	26%	0.262	C	S	.	.			trans	-117.5	147.9	173.1	0	0	0	0	0	109.8	V331 I332 L333 I368	V331-A354 HydrophobicContact CG1-CB 4.13Å; I332-A354 PolarHBondContact O-N 3.25Å; I332-A354 VanDerWaalsContact O-O 3.13Å; L333-A354 HydrophobicContact CD1-CB 3.8Å; A354-I368 HydrophobicContact CB-CD1 3.85Å; A354-I368 HydrophobicContact CB-CG1 3.95Å
355	D	89.2	Confident	86.3	Confident	47 Å²	47	54.4 Å²	54.4	25%	0.251	28%	0.275	S	S	.	.			trans	-86.7	127.5	177.8	-171.6	-31.1	0	0	0	109.9	N335 R357 T358	N335-D355 PolarHBondContact ND2-OD1 3.38Å; D355-R357 PolarHBondContact O-N 3.46Å; D355-R357 VanDerWaalsContact O-N 3.09Å; D355-R357 WeakPolarHBondContact OD1-CB 3.33Å; D355-R357 WeakPolarHBondContact OD1-CG 3.44Å; D355-R357 PolarHBondContact OD1-N 3.5Å; D355-R357 IonicContact OD1-NE 2.95Å; D355-R357 PolarHBondContact OD1-NE 3.46Å; D355-R357 VanDerWaalsContact OD1-NE 3.08Å; D355-R357 IonicContact OD2-CZ 3.66Å; D355-R357 IonicContact OD2-NE 3.92Å; D355-R357 PolarHBondContact OD2-NE 3.31Å; D355-R357 IonicContact OD2-NH2 2.73Å; D355-R357 PolarHBondContact OD2-NH2 3.17Å; D355-T358 HydrophobicContact CB-CG2 4.18Å; D355-T358 WeakPolarHBondContact O-CG2 3.48Å; D355-T358 PolarHBondContact O-N 3.47Å; D355-T358 PolarHBondContact O-OG1 3.14Å
356	E	85.7	Confident	85.4	Confident	12 Å²	12	61.4 Å²	61.4	6%	0.056	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-56.6	-29.1	179.5	-71.1	179.1	99.6	0	0	113.8	T252 R311 L333 S334 N335 T358 L359 F360	T252-E356 PolarHBondContact OG1-OE1 2.67Å; R311-E356 WeakPolarHBondContact CD-OE1 3.37Å; R311-E356 VanDerWaalsContact CG-OE1 3.28Å; R311-E356 WeakPolarHBondContact CG-OE1 3.41Å; R311-E356 IonicContact CZ-OE1 2.7Å; R311-E356 IonicContact CZ-OE2 3.08Å; R311-E356 IonicContact NE-OE1 2.97Å; R311-E356 PolarHBondContact NE-OE1 2.91Å; R311-E356 IonicContact NE-OE2 3.18Å; R311-E356 PolarHBondContact NE-OE2 2.9Å; R311-E356 IonicContact NH2-OE1 3.67Å; R311-E356 IonicContact NH2-OE2 2.64Å; R311-E356 PolarHBondContact NH2-OE2 3.39Å; L333-E356 HydrophobicContact CD1-CB 4.5Å; L333-E356 HydrophobicContact CD1-CG 4Å; L333-E356 HydrophobicContact CG-CG 3.91Å; S334-E356 WeakPolarHBondContact CA-OE2 3.32Å; N335-E356 WeakPolarHBondContact CB-OE2 3.3Å; N335-E356 PolarHBondContact N-OE2 3.42Å; N335-E356 PolarHBondContact OD1-N 2.02Å; E356-T358 PolarHBondContact O-N 2.83Å; E356-L359 WeakPolarHBondContact O-CB 3.29Å; E356-L359 PolarHBondContact O-N 3.02Å; E356-L359 VanDerWaalsContact O-N 3.12Å; E356-F360 WeakPolarHBondContact O-CD2 3.16Å; E356-F360 WeakPolarHBondContact O-CE2 3.49Å
357	R	84	Confident	85	Confident	130 Å²	130	63.4 Å²	63.4	49%	0.491	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	-61.8	-24.5	178.7	-63.6	176.7	-68.1	174.8	0.3	112.8	D355 L359 F360	D355-R357 PolarHBondContact O-N 3.46Å; D355-R357 VanDerWaalsContact O-N 3.09Å; D355-R357 WeakPolarHBondContact OD1-CB 3.33Å; D355-R357 WeakPolarHBondContact OD1-CG 3.44Å; D355-R357 PolarHBondContact OD1-N 3.5Å; D355-R357 IonicContact OD1-NE 2.95Å; D355-R357 PolarHBondContact OD1-NE 3.46Å; D355-R357 VanDerWaalsContact OD1-NE 3.08Å; D355-R357 IonicContact OD2-CZ 3.66Å; D355-R357 IonicContact OD2-NE 3.92Å; D355-R357 PolarHBondContact OD2-NE 3.31Å; D355-R357 IonicContact OD2-NH2 2.73Å; D355-R357 PolarHBondContact OD2-NH2 3.17Å; R357-L359 PolarHBondContact O-N 3.04Å; R357-F360 PolarHBondContact O-N 3.11Å
358	T	83.2	Confident	84.8	Confident	11 Å²	11	63.1 Å²	63.1	7%	0.067	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-68.3	-21.5	178.9	66.9	0	0	0	0	112.6	D355 E356 F360	D355-T358 HydrophobicContact CB-CG2 4.18Å; D355-T358 WeakPolarHBondContact O-CG2 3.48Å; D355-T358 PolarHBondContact O-N 3.47Å; D355-T358 PolarHBondContact O-OG1 3.14Å; E356-T358 PolarHBondContact O-N 2.83Å; T358-F360 VanDerWaalsContact C-N 3.34Å
359	L	81.2	Confident	84.7	Confident	13 Å²	13	59.9 Å²	59.9	7%	0.068	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-71.4	-30.1	175.7	-64.1	-179	0	0	0	113	T252 A255 L256 L259 L333 E356 R357 I368	T252-L359 HydrophobicContact CG2-CD1 3.63Å; A255-L359 HydrophobicContact CB-CB 3.99Å; A255-L359 HydrophobicContact CB-CD1 4.33Å; L256-L359 HydrophobicContact CD2-CD1 4.15Å; L259-L359 HydrophobicContact CD1-CD2 3.78Å; L259-L359 HydrophobicContact CD2-CD2 4.26Å; L259-L359 HydrophobicContact CG-CD2 4.1Å; L333-L359 HydrophobicContact CD2-CD1 3.54Å; L333-L359 HydrophobicContact CD2-CD2 4.04Å; L333-L359 HydrophobicContact CD2-CG 3.98Å; L333-L359 HydrophobicContact CG-CD1 4.26Å; E356-L359 WeakPolarHBondContact O-CB 3.29Å; E356-L359 PolarHBondContact O-N 3.02Å; E356-L359 VanDerWaalsContact O-N 3.12Å; R357-L359 PolarHBondContact O-N 3.04Å; L359-I368 HydrophobicContact CD2-CD1 4.27Å
360	F	76.2	Confident	84.6	Confident	97 Å²	97	61.7 Å²	61.7	43%	0.425	31%	0.306	S	S	.	.	S	Bend	trans	-95.4	-4.4	-171.5	-53.4	-65.1	0	0	0	113.1	E251 A255 E356 R357 T358	E251-F360 HydrophobicContact CB-CE1 3.98Å; E251-F360 HydrophobicContact CB-CZ 4.02Å; A255-F360 HydrophobicContact CB-CD1 4.29Å; A255-F360 HydrophobicContact CB-CE1 3.98Å; E356-F360 WeakPolarHBondContact O-CD2 3.16Å; E356-F360 WeakPolarHBondContact O-CE2 3.49Å; R357-F360 PolarHBondContact O-N 3.11Å; T358-F360 VanDerWaalsContact C-N 3.34Å
361	Q	78	Confident	84.5	Confident	76 Å²	76	64 Å²	64	36%	0.355	32%	0.319	S	S	.	.			trans	-103.5	111.4	178.3	-68.9	-176.3	-1	0	0	109.6	S363 R364 K365	Q361-S363 PolarHBondContact O-N 3.02Å; Q361-S363 VanDerWaalsContact O-N 3.16Å; Q361-R364 HydrophobicContact CB-CB 4.09Å; Q361-R364 HydrophobicContact CB-CG 4.11Å; Q361-R364 PolarHBondContact O-N 2.89Å; Q361-K365 PolarHBondContact O-N 3.48Å
362	P	68.9	Low	84.4	Confident	116 Å²	116	63.6 Å²	63.6	75%	0.753	32%	0.317	S	S	*	.	G	3₁₀ helix	trans	-54.2	-38.6	-177.4	-27.4	34.4	0	0	0	113.2	R364 K365	P362-R364 PolarHBondContact O-N 3.39Å; P362-K365 WeakPolarHBondContact O-CB 3.32Å
363	S	72.6	Confident	84.2	Confident	110 Å²	110	68.9 Å²	68.9	77%	0.769	34%	0.336	S	S	*	.	G	3₁₀ helix	trans	-69.7	-14	178.3	53.9	0	0	0	0	114.6	Q361	Q361-S363 PolarHBondContact O-N 3.02Å; Q361-S363 VanDerWaalsContact O-N 3.16Å
364	R	76.3	Confident	84.3	Confident	124 Å²	124	67.2 Å²	67.2	47%	0.468	34%	0.344	S	S	.	.	G	3₁₀ helix	trans	-113.6	4.3	-178.4	-57.8	-161.7	-176.1	-174.8	1.2	114.3	Q361 P362 F366 Q367	Q361-R364 HydrophobicContact CB-CB 4.09Å; Q361-R364 HydrophobicContact CB-CG 4.11Å; Q361-R364 PolarHBondContact O-N 2.89Å; P362-R364 PolarHBondContact O-N 3.39Å; R364-F366 PolarHBondContact O-N 2.99Å; R364-Q367 HydrophobicContact CB-CB 4.43Å; R364-Q367 WeakPolarHBondContact O-CB 3.35Å; R364-Q367 PolarHBondContact O-N 3.3Å
365	K	68.9	Low	84.4	Confident	70 Å²	70	67.5 Å²	67.5	30%	0.304	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49	-36.5	179	-179.8	-176.3	173.7	-176.7	0	113.6	H258 L259 Q361 P362	H258-K365 HydrophobicContact CB-CD 4.17Å; H258-K365 HydrophobicContact CB-CG 4.24Å; H258-K365 WeakPolarHBondContact O-CE 3.48Å; H258-K365 PolarHBondContact O-NZ 3.49Å; L259-K365 WeakPolarHBondContact CD2-O 3.5Å; Q361-K365 PolarHBondContact O-N 3.48Å; P362-K365 WeakPolarHBondContact O-CB 3.32Å
366	F	76.2	Confident	84.6	Confident	149 Å²	149	69.3 Å²	69.3	65%	0.654	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88	-2	-179.3	-57.7	-70.5	0	0	0	114.5	R364 I368 S370	R364-F366 PolarHBondContact O-N 2.99Å; F366-I368 PolarHBondContact O-N 3.32Å; F366-S370 WeakPolarHBondContact O-CB 3.23Å; F366-S370 PolarHBondContact O-N 2.94Å
367	Q	86.7	Confident	84.9	Confident	82 Å²	82	73.1 Å²	73.1	38%	0.383	38%	0.378	S	S	.	.	H	α-helix	trans	-64.1	-43.1	-173.7	-172.7	175.7	12.4	0	0	112.2	R364 T371	R364-Q367 HydrophobicContact CB-CB 4.43Å; R364-Q367 WeakPolarHBondContact O-CB 3.35Å; R364-Q367 PolarHBondContact O-N 3.3Å; Q367-T371 VanDerWaalsContact O-CB 3.3Å; Q367-T371 WeakPolarHBondContact O-CB 3.42Å; Q367-T371 PolarHBondContact O-N 2.76Å; Q367-T371 PolarHBondContact O-OG1 3.24Å
368	I	91.1	Very high	85.1	Confident	9 Å²	9	69.2 Å²	69.2	5%	0.046	37%	0.371	C	S	.	.	H	α-helix	trans	-63.9	-57.9	179.9	-62.6	172.4	0	0	0	110	L237 L259 V331 L333 A354 L359 F366 S370 T371 L372	L237-I368 HydrophobicContact CD2-CG2 3.94Å; L259-I368 HydrophobicContact CD1-CD1 4.38Å; V331-I368 HydrophobicContact CG1-CG2 4.24Å; L333-I368 HydrophobicContact CD1-CD1 4.15Å; A354-I368 HydrophobicContact CB-CD1 3.85Å; A354-I368 HydrophobicContact CB-CG1 3.95Å; L359-I368 HydrophobicContact CD2-CD1 4.27Å; F366-I368 PolarHBondContact O-N 3.32Å; I368-S370 VanDerWaalsContact C-N 3.32Å; I368-S370 PolarHBondContact O-N 3.47Å; I368-T371 PolarHBondContact O-N 2.77Å; I368-L372 HydrophobicContact CG2-CD1 4.1Å; I368-L372 HydrophobicContact CG2-CG 4.47Å; I368-L372 WeakPolarHBondContact O-CG 3.48Å; I368-L372 PolarHBondContact O-N 2.91Å
369	P	92.4	Very high	85.6	Confident	7 Å²	7	71.7 Å²	71.7	5%	0.045	38%	0.383	C	S	.	.	H	α-helix	trans	-56.7	-41.8	177.3	-27	35.9	0	0	0	113.8	V265 T371 L372 R373	V265-P369 HydrophobicContact CG2-CB 4.18Å; V265-P369 HydrophobicContact CG2-CG 4.23Å; P369-T371 PolarHBondContact O-N 3.29Å; P369-L372 PolarHBondContact O-N 3.36Å; P369-R373 WeakPolarHBondContact O-CG 3.49Å; P369-R373 PolarHBondContact O-N 3.5Å
370	S	91.3	Very high	86.1	Confident	72 Å²	72	72 Å²	72	50%	0.503	38%	0.384	S	S	.	.	H	α-helix	trans	-60.8	-44.4	178.2	-177.6	0	0	0	0	112.2	F366 I368 L372 R373 S374	F366-S370 WeakPolarHBondContact O-CB 3.23Å; F366-S370 PolarHBondContact O-N 2.94Å; I368-S370 VanDerWaalsContact C-N 3.32Å; I368-S370 PolarHBondContact O-N 3.47Å; S370-L372 VanDerWaalsContact C-N 3.32Å; S370-L372 PolarHBondContact O-N 3Å; S370-R373 PolarHBondContact O-N 2.75Å; S370-S374 PolarHBondContact O-N 3.03Å
371	T	92.4	Very high	86.7	Confident	47 Å²	47	71.6 Å²	71.6	29%	0.288	39%	0.387	S	S	.	.	H	α-helix	trans	-64.4	-36.9	177.3	-55.4	0	0	0	0	111.9	Q367 I368 P369 S374	Q367-T371 VanDerWaalsContact O-CB 3.3Å; Q367-T371 WeakPolarHBondContact O-CB 3.42Å; Q367-T371 PolarHBondContact O-N 2.76Å; Q367-T371 PolarHBondContact O-OG1 3.24Å; I368-T371 PolarHBondContact O-N 2.77Å; P369-T371 PolarHBondContact O-N 3.29Å; T371-S374 PolarHBondContact O-N 2.89Å; T371-S374 PolarHBondContact O-OG 2.83Å
372	L	94.9	Very high	87.1	Confident	1 Å²	1	72.5 Å²	72.5	1%	0.005	39%	0.387	C	S	.	.	H	α-helix	trans	-70.8	-36.8	178.2	-62.7	177.5	0	0	0	111.9	L236 L237 F306 V331 V352 I368 P369 S370 S374 I375	L236-L372 HydrophobicContact CD1-CB 4.13Å; L236-L372 HydrophobicContact CD2-CB 4.31Å; L236-L372 HydrophobicContact CG-CB 4.35Å; L237-L372 HydrophobicContact CB-CD1 3.99Å; L237-L372 HydrophobicContact CD1-CD1 3.84Å; L237-L372 HydrophobicContact CD2-CD1 3.85Å; L237-L372 HydrophobicContact CG-CD1 4.1Å; F306-L372 HydrophobicContact CB-CD1 4.08Å; F306-L372 HydrophobicContact CD1-CD2 3.74Å; F306-L372 HydrophobicContact CD2-CB 4.12Å; F306-L372 HydrophobicContact CD2-CD1 4.14Å; F306-L372 HydrophobicContact CD2-CD2 4.24Å; F306-L372 HydrophobicContact CD2-CG 4.38Å; F306-L372 HydrophobicContact CE1-CD2 3.78Å; F306-L372 HydrophobicContact CE2-CB 4.02Å; F306-L372 HydrophobicContact CE2-CD2 4.26Å; F306-L372 HydrophobicContact CG-CD1 4.02Å; F306-L372 HydrophobicContact CG-CD2 4Å; F306-L372 HydrophobicContact CG-CG 4.44Å; F306-L372 HydrophobicContact CZ-CB 4.47Å; F306-L372 HydrophobicContact CZ-CD2 4.04Å; V331-L372 HydrophobicContact CG2-CD1 4.03Å; V331-L372 HydrophobicContact CG2-CD2 3.92Å; V352-L372 HydrophobicContact CB-CD2 4.26Å; V352-L372 HydrophobicContact CG1-CD2 4Å; V352-L372 HydrophobicContact CG2-CD2 4.09Å; I368-L372 HydrophobicContact CG2-CD1 4.1Å; I368-L372 HydrophobicContact CG2-CG 4.47Å; I368-L372 WeakPolarHBondContact O-CG 3.48Å; I368-L372 PolarHBondContact O-N 2.91Å; P369-L372 PolarHBondContact O-N 3.36Å; S370-L372 VanDerWaalsContact C-N 3.32Å; S370-L372 PolarHBondContact O-N 3Å; L372-S374 VanDerWaalsContact C-N 3.28Å; L372-S374 PolarHBondContact O-N 2.94Å; L372-I375 HydrophobicContact CD2-CD1 4.26Å; L372-I375 PolarHBondContact O-N 3.18Å
373	R	94.2	Very high	88.3	Confident	125 Å²	125	67.8 Å²	67.8	47%	0.472	36%	0.355	S	S	.	.	H	α-helix	trans	-68	-24.8	176.4	-69.8	-173.5	-168.7	103.9	1.4	113.5	L236 D264 P369 S370 I375	L236-R373 HydrophobicContact CD1-CG 4.34Å; L236-R373 HydrophobicContact CD2-CG 3.49Å; L236-R373 VanDerWaalsContact CD2-CG 3.49Å; D264-R373 VanDerWaalsContact CG-NH2 3.33Å; D264-R373 IonicContact OD1-NH2 2.97Å; D264-R373 PolarHBondContact OD1-NH2 3.45Å; D264-R373 IonicContact OD2-CZ 3.64Å; D264-R373 IonicContact OD2-NE 2.68Å; D264-R373 PolarHBondContact OD2-NE 2.86Å; D264-R373 IonicContact OD2-NH2 2.94Å; D264-R373 PolarHBondContact OD2-NH2 3.06Å; P369-R373 WeakPolarHBondContact O-CG 3.49Å; P369-R373 PolarHBondContact O-N 3.5Å; S370-R373 PolarHBondContact O-N 2.75Å; R373-I375 VanDerWaalsContact C-N 3.26Å; R373-I375 PolarHBondContact O-N 3.41Å
374	S	95.1	Very high	89.1	Confident	96 Å²	96	62.9 Å²	62.9	67%	0.671	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-7	177.8	69.6	0	0	0	0	113.7	S370 T371 L372	S370-S374 PolarHBondContact O-N 3.03Å; T371-S374 PolarHBondContact O-N 2.89Å; T371-S374 PolarHBondContact O-OG 2.83Å; L372-S374 VanDerWaalsContact C-N 3.28Å; L372-S374 PolarHBondContact O-N 2.94Å
375	I	94.4	Very high	89.6	Confident	23 Å²	23	60.8 Å²	60.8	12%	0.118	32%	0.318	C	S	.	.	S	Bend	trans	-79	124.7	176.6	-57.1	173.3	0	0	0	108.8	F306 V352 L372 R373 I379 I380	F306-I375 HydrophobicContact CE1-CD1 4.11Å; F306-I375 HydrophobicContact CZ-CD1 3.82Å; V352-I375 HydrophobicContact CG2-CD1 3.98Å; L372-I375 HydrophobicContact CD2-CD1 4.26Å; L372-I375 PolarHBondContact O-N 3.18Å; R373-I375 VanDerWaalsContact C-N 3.26Å; R373-I375 PolarHBondContact O-N 3.41Å; I375-I379 HydrophobicContact CG2-CB 3.92Å; I375-I379 HydrophobicContact CG2-CG2 3.82Å; I375-I380 HydrophobicContact CB-CD1 4.44Å; I375-I380 HydrophobicContact CB-CG1 4.24Å; I375-I380 HydrophobicContact CG2-CD1 4.44Å; I375-I380 HydrophobicContact CG2-CG1 3.73Å
376	N	94	Very high	90.6	Very high	86 Å²	86	59.1 Å²	59.1	46%	0.46	31%	0.311	S	S	.	.			trans	-58.8	136.7	178.7	-176.3	-72.1	0	0	0	111.3	S378 I379 I380	N376-S378 VanDerWaalsContact C-N 3.28Å; N376-S378 PolarHBondContact O-N 3.27Å; N376-S378 WeakPolarHBondContact OD1-CB 3.38Å; N376-S378 PolarHBondContact OD1-N 3.41Å; N376-S378 PolarHBondContact OD1-OG 3.01Å; N376-I379 HydrophobicContact CB-CD1 3.93Å; N376-I379 HydrophobicContact CB-CG1 4.17Å; N376-I379 WeakPolarHBondContact O-CA 3.28Å; N376-I379 WeakPolarHBondContact O-CB 3.43Å; N376-I379 PolarHBondContact O-N 2.61Å; N376-I380 PolarHBondContact O-N 2.94Å; N376-I380 VanDerWaalsContact O-N 3.17Å
377	P	90.9	Very high	91.3	Very high	92 Å²	92	52 Å²	52	60%	0.597	28%	0.28	S	S	*	.	H	α-helix	trans	-51.6	-40.6	-179.8	-29.8	36	0	0	0	114.5	I379 I380 D381	P377-I379 PolarHBondContact O-N 3.02Å; P377-I380 WeakPolarHBondContact O-CA 3.44Å; P377-I380 VanDerWaalsContact O-CB 3.31Å; P377-I380 WeakPolarHBondContact O-CB 3.47Å; P377-I380 PolarHBondContact O-N 3.48Å; P377-D381 PolarHBondContact O-N 3.18Å
378	S	89.3	Confident	91.4	Very high	48 Å²	48	51.4 Å²	51.4	34%	0.336	27%	0.274	S	S	.	.	H	α-helix	trans	-63.4	-30.3	178	72.9	0	0	0	0	113.1	N376 R382	N376-S378 VanDerWaalsContact C-N 3.28Å; N376-S378 PolarHBondContact O-N 3.27Å; N376-S378 WeakPolarHBondContact OD1-CB 3.38Å; N376-S378 PolarHBondContact OD1-N 3.41Å; N376-S378 PolarHBondContact OD1-OG 3.01Å; S378-R382 WeakPolarHBondContact O-CG 3.4Å; S378-R382 VanDerWaalsContact O-CZ 3.24Å; S378-R382 PolarHBondContact O-N 3.1Å; S378-R382 PolarHBondContact O-NH1 2.81Å; S378-R382 PolarHBondContact OG-NH1 2.83Å
379	I	92.9	Very high	91.1	Very high	63 Å²	63	52.3 Å²	52.3	32%	0.323	28%	0.278	S	S	.	.	H	α-helix	trans	-70.8	-42.9	173.4	-62.9	170.1	0	0	0	109.2	I375 N376 P377 D381 R382 M383	I375-I379 HydrophobicContact CG2-CB 3.92Å; I375-I379 HydrophobicContact CG2-CG2 3.82Å; N376-I379 HydrophobicContact CB-CD1 3.93Å; N376-I379 HydrophobicContact CB-CG1 4.17Å; N376-I379 WeakPolarHBondContact O-CA 3.28Å; N376-I379 WeakPolarHBondContact O-CB 3.43Å; N376-I379 PolarHBondContact O-N 2.61Å; P377-I379 PolarHBondContact O-N 3.02Å; I379-D381 PolarHBondContact O-N 3.09Å; I379-R382 PolarHBondContact O-N 2.94Å; I379-M383 HydrophobicContact CG2-CG 4.15Å; I379-M383 HydrophobicContact CG2-SD 3.87Å; I379-M383 WeakPolarHBondContact O-CB 3.5Å; I379-M383 VanDerWaalsContact O-CG 3.28Å; I379-M383 WeakPolarHBondContact O-CG 3.46Å; I379-M383 PolarHBondContact O-N 2.87Å
380	I	92.2	Very high	91	Very high	18 Å²	18	52 Å²	52	9%	0.092	28%	0.276	C	S	.	.	H	α-helix	trans	-56.5	-50.9	177.1	-61.8	178.1	0	0	0	109.5	F306 I329 I375 N376 P377 R382 M383 R384	F306-I380 HydrophobicContact CE2-CD1 3.83Å; F306-I380 HydrophobicContact CE2-CG1 4.27Å; F306-I380 HydrophobicContact CZ-CD1 3.95Å; F306-I380 HydrophobicContact CZ-CG1 3.9Å; I329-I380 HydrophobicContact CD1-CB 4.42Å; I329-I380 HydrophobicContact CD1-CG2 3.82Å; I375-I380 HydrophobicContact CB-CD1 4.44Å; I375-I380 HydrophobicContact CB-CG1 4.24Å; I375-I380 HydrophobicContact CG2-CD1 4.44Å; I375-I380 HydrophobicContact CG2-CG1 3.73Å; N376-I380 PolarHBondContact O-N 2.94Å; N376-I380 VanDerWaalsContact O-N 3.17Å; P377-I380 WeakPolarHBondContact O-CA 3.44Å; P377-I380 VanDerWaalsContact O-CB 3.31Å; P377-I380 WeakPolarHBondContact O-CB 3.47Å; P377-I380 PolarHBondContact O-N 3.48Å; I380-R382 VanDerWaalsContact C-N 3.31Å; I380-R382 PolarHBondContact O-N 3.08Å; I380-M383 PolarHBondContact O-N 3.3Å; I380-R384 HydrophobicContact CG2-CG 4.21Å; I380-R384 VanDerWaalsContact O-CG 3.27Å; I380-R384 WeakPolarHBondContact O-CG 3.01Å; I380-R384 PolarHBondContact O-N 2.95Å
381	D	87.9	Confident	91	Very high	90 Å²	90	50 Å²	50	48%	0.481	26%	0.257	S	S	.	.	H	α-helix	trans	-57.8	-44	-179.7	-62.4	-30.6	0	0	0	112.2	P377 I379 M383 R384 L385	P377-D381 PolarHBondContact O-N 3.18Å; I379-D381 PolarHBondContact O-N 3.09Å; D381-M383 PolarHBondContact O-N 2.96Å; D381-R384 PolarHBondContact O-N 3.08Å; D381-L385 WeakPolarHBondContact O-CG 3.48Å; D381-L385 PolarHBondContact O-N 2.81Å
382	R	87.3	Confident	90.8	Very high	94 Å²	94	49.7 Å²	49.7	36%	0.355	25%	0.251	S	S	.	.	H	α-helix	trans	-63.5	-41.7	175.5	-71	-171.2	-61.8	-88.6	6.5	112.5	P24 S378 I379 I380 L385 Q386	P24-R382 HydrophobicContact CG-CG 4.47Å; S378-R382 WeakPolarHBondContact O-CG 3.4Å; S378-R382 VanDerWaalsContact O-CZ 3.24Å; S378-R382 PolarHBondContact O-N 3.1Å; S378-R382 PolarHBondContact O-NH1 2.81Å; S378-R382 PolarHBondContact OG-NH1 2.83Å; I379-R382 PolarHBondContact O-N 2.94Å; I380-R382 VanDerWaalsContact C-N 3.31Å; I380-R382 PolarHBondContact O-N 3.08Å; R382-L385 PolarHBondContact O-N 3.46Å; R382-Q386 VanDerWaalsContact O-CB 3.32Å; R382-Q386 WeakPolarHBondContact O-CB 3.27Å; R382-Q386 PolarHBondContact O-N 3.48Å
383	M	92.9	Very high	90.3	Very high	17 Å²	17	49.7 Å²	49.7	8%	0.084	25%	0.251	C	S	.	.	H	α-helix	trans	-66.2	-38.6	177.7	-71	180	78.8	0	0	111.8	I329 L349 T351 V352 I379 I380 D381 Q386 A387	I329-M383 HydrophobicContact CD1-CB 3.5Å; I329-M383 VanDerWaalsContact CD1-CB 3.5Å; I329-M383 HydrophobicContact CD1-CG 4.5Å; I329-M383 HydrophobicContact CD1-SD 4.33Å; I329-M383 HydrophobicContact CG1-CB 3.88Å; I329-M383 HydrophobicContact CG2-CE 3.79Å; L349-M383 WeakPolarHBondContact O-CA 3.31Å; L349-M383 WeakPolarHBondContact O-CG 3.46Å; T351-M383 WeakPolarHBondContact O-CE 3.43Å; V352-M383 HydrophobicContact CG2-CE 4.04Å; I379-M383 HydrophobicContact CG2-CG 4.15Å; I379-M383 HydrophobicContact CG2-SD 3.87Å; I379-M383 WeakPolarHBondContact O-CB 3.5Å; I379-M383 VanDerWaalsContact O-CG 3.28Å; I379-M383 WeakPolarHBondContact O-CG 3.46Å; I379-M383 PolarHBondContact O-N 2.87Å; I380-M383 PolarHBondContact O-N 3.3Å; D381-M383 PolarHBondContact O-N 2.96Å; M383-Q386 PolarHBondContact O-N 3.41Å; M383-A387 VanDerWaalsContact O-CB 3.31Å; M383-A387 WeakPolarHBondContact O-CB 3.09Å; M383-A387 PolarHBondContact O-N 3.2Å
384	R	90.7	Very high	90.2	Very high	7 Å²	7	43.8 Å²	43.8	3%	0.026	23%	0.228	C	C	.	.	H	α-helix	trans	-62.7	-48.4	175.1	-66.6	173.8	65.1	76.1	-7.6	111.3	S304 S305 G327 I329 I380 D381 Q386 A387 R388	S304-R384 PolarHBondContact O-NH1 3.38Å; S305-R384 PolarHBondContact O-NH1 3.25Å; G327-R384 WeakPolarHBondContact O-CA 3.44Å; G327-R384 WeakPolarHBondContact O-CB 2.88Å; G327-R384 VanDerWaalsContact O-CG 3.27Å; G327-R384 WeakPolarHBondContact O-CG 3.34Å; G327-R384 PolarHBondContact O-NH1 3.36Å; I329-R384 HydrophobicContact CD1-CG 3.91Å; I329-R384 HydrophobicContact CG1-CG 3.84Å; I380-R384 HydrophobicContact CG2-CG 4.21Å; I380-R384 VanDerWaalsContact O-CG 3.27Å; I380-R384 WeakPolarHBondContact O-CG 3.01Å; I380-R384 PolarHBondContact O-N 2.95Å; D381-R384 PolarHBondContact O-N 3.08Å; R384-Q386 VanDerWaalsContact C-N 3.33Å; R384-Q386 PolarHBondContact O-N 2.95Å; R384-A387 PolarHBondContact O-N 3.23Å; R384-R388 PolarHBondContact O-N 3.43Å; R384-R388 VanDerWaalsContact O-N 3.14Å
385	L	86.3	Confident	90.1	Very high	81 Å²	81	39.2 Å²	39.2	42%	0.424	20%	0.197	S	C	.	.	H	α-helix	trans	-58.5	-46.5	175	-73.8	166.6	0	0	0	111	W228 D381 R382 A387 R388 H389	W228-L385 HydrophobicContact CH2-CD2 3.69Å; W228-L385 HydrophobicContact CZ3-CD2 3.77Å; W228-L385 HydrophobicContact CZ3-CG 4.24Å; D381-L385 WeakPolarHBondContact O-CG 3.48Å; D381-L385 PolarHBondContact O-N 2.81Å; R382-L385 PolarHBondContact O-N 3.46Å; L385-A387 PolarHBondContact O-N 2.88Å; L385-R388 PolarHBondContact O-N 3.41Å; L385-H389 WeakPolarHBondContact O-CB 3.49Å; L385-H389 PolarHBondContact O-N 2.81Å
386	Q	89.4	Confident	89.9	Confident	34 Å²	34	38.3 Å²	38.3	16%	0.159	19%	0.193	C	C	.	.	H	α-helix	trans	-64	-41.4	178.6	-171.7	67.3	3.7	0	0	112.2	L349 A350 R382 M383 R384 H389 L390 N425	L349-Q386 HydrophobicContact CB-CG 3.95Å; A350-Q386 HydrophobicContact CB-CB 4.32Å; A350-Q386 HydrophobicContact CB-CG 4.02Å; R382-Q386 VanDerWaalsContact O-CB 3.32Å; R382-Q386 WeakPolarHBondContact O-CB 3.27Å; R382-Q386 PolarHBondContact O-N 3.48Å; M383-Q386 PolarHBondContact O-N 3.41Å; R384-Q386 VanDerWaalsContact C-N 3.33Å; R384-Q386 PolarHBondContact O-N 2.95Å; Q386-H389 WeakPolarHBondContact O-CB 3.41Å; Q386-H389 PolarHBondContact O-N 3.16Å; Q386-L390 HydrophobicContact CG-CD1 4.1Å; Q386-L390 HydrophobicContact CG-CG 4.3Å; Q386-L390 WeakPolarHBondContact O-CB 3.14Å; Q386-L390 VanDerWaalsContact O-CG 3.29Å; Q386-L390 WeakPolarHBondContact O-CG 3.23Å; Q386-L390 PolarHBondContact O-N 3.32Å; Q386-N425 PolarHBondContact NE2-O 3.42Å
387	A	91.1	Very high	89.7	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-57.8	-50.9	177.7	0	0	0	0	0	111.6	L324 A350 M383 R384 L385 H389 L390 Y391	L324-A387 HydrophobicContact CD2-CB 3.63Å; A350-A387 HydrophobicContact CB-CB 4.26Å; M383-A387 VanDerWaalsContact O-CB 3.31Å; M383-A387 WeakPolarHBondContact O-CB 3.09Å; M383-A387 PolarHBondContact O-N 3.2Å; R384-A387 PolarHBondContact O-N 3.23Å; L385-A387 PolarHBondContact O-N 2.88Å; A387-H389 VanDerWaalsContact C-N 3.31Å; A387-H389 PolarHBondContact O-N 3.2Å; A387-L390 PolarHBondContact O-N 3.08Å; A387-Y391 PolarHBondContact O-N 2.9Å
388	R	87.8	Confident	89.9	Confident	69 Å²	69	29.9 Å²	29.9	26%	0.26	14%	0.143	S	C	.	.	H	α-helix	trans	-65.4	-36.9	177.2	-171.4	178.9	175.8	105.2	-11	112.1	L324 E325 R384 L385 Y391 R392	L324-R388 VanDerWaalsContact O-CA 3.3Å; L324-R388 WeakPolarHBondContact O-CA 3.26Å; L324-R388 PolarHBondContact O-N 3.4Å; E325-R388 PolarHBondContact O-NH1 3.49Å; R384-R388 PolarHBondContact O-N 3.43Å; R384-R388 VanDerWaalsContact O-N 3.14Å; L385-R388 PolarHBondContact O-N 3.41Å; R388-Y391 PolarHBondContact O-N 3.08Å; R388-R392 WeakPolarHBondContact O-CB 3.35Å; R388-R392 PolarHBondContact O-N 3.29Å
389	H	85	Confident	90	Very high	28 Å²	28	28.8 Å²	28.8	13%	0.13	13%	0.133	C	C	.	.	H	α-helix	trans	-61.7	-50.4	176.9	-177.2	61.8	0	0	0	111.8	L385 Q386 A387 Y391 R392 L393 S426 I428	L385-H389 WeakPolarHBondContact O-CB 3.49Å; L385-H389 PolarHBondContact O-N 2.81Å; Q386-H389 WeakPolarHBondContact O-CB 3.41Å; Q386-H389 PolarHBondContact O-N 3.16Å; A387-H389 VanDerWaalsContact C-N 3.31Å; A387-H389 PolarHBondContact O-N 3.2Å; H389-Y391 VanDerWaalsContact C-N 3.33Å; H389-Y391 PolarHBondContact O-N 2.88Å; H389-R392 PolarHBondContact O-N 3.34Å; H389-L393 VanDerWaalsContact CE1-CD1 3.4Å; H389-L393 WeakPolarHBondContact CE1-CD1 3.36Å; H389-L393 WeakPolarHBondContact NE2-CD1 3.33Å; H389-L393 WeakPolarHBondContact O-CG 3.4Å; H389-L393 PolarHBondContact O-N 3.31Å; H389-S426 PolarHBondContact NE2-O 3.14Å; H389-I428 PolarHBondContact CE1-N 2.81Å; H389-I428 VanDerWaalsContact CE1-N 3.26Å; H389-I428 PolarHBondContact CE1-O 2.92Å
390	L	91.4	Very high	89.9	Confident	0 Å²	0	26 Å²	26	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-60.6	-40.9	176.7	-68.6	173.5	0	0	0	111.8	I345 W347 A350 Q386 A387 L393 Y394	I345-L390 HydrophobicContact CD1-CD2 4.37Å; I345-L390 HydrophobicContact CG1-CD2 4.47Å; I345-L390 HydrophobicContact CG2-CD1 3.8Å; I345-L390 HydrophobicContact CG2-CD2 4.04Å; W347-L390 HydrophobicContact CE3-CD1 4.2Å; W347-L390 HydrophobicContact CH2-CD1 4.44Å; W347-L390 HydrophobicContact CZ3-CD1 3.83Å; A350-L390 HydrophobicContact CB-CD1 3.71Å; Q386-L390 HydrophobicContact CG-CD1 4.1Å; Q386-L390 HydrophobicContact CG-CG 4.3Å; Q386-L390 WeakPolarHBondContact O-CB 3.14Å; Q386-L390 VanDerWaalsContact O-CG 3.29Å; Q386-L390 WeakPolarHBondContact O-CG 3.23Å; Q386-L390 PolarHBondContact O-N 3.32Å; A387-L390 PolarHBondContact O-N 3.08Å; L390-L393 PolarHBondContact O-N 2.7Å; L390-Y394 HydrophobicContact CD2-CD2 4.02Å; L390-Y394 HydrophobicContact CD2-CE2 3.78Å; L390-Y394 PolarHBondContact O-N 2.76Å
391	Y	91.7	Very high	90	Very high	30 Å²	30	25.2 Å²	25.2	12%	0.118	12%	0.115	C	C	.	.	H	α-helix	trans	-57.5	-52.8	172.9	176.5	-94	0	0	0	111.6	L321 L324 E325 A387 R388 H389 L393 Y394 F395 A396	L321-Y391 HydrophobicContact CB-CE2 4.46Å; L324-Y391 HydrophobicContact CB-CD2 4.33Å; L324-Y391 HydrophobicContact CB-CG 4.48Å; E325-Y391 HydrophobicContact CB-CD1 4.08Å; E325-Y391 HydrophobicContact CB-CD2 3.94Å; E325-Y391 HydrophobicContact CB-CE1 3.82Å; E325-Y391 HydrophobicContact CB-CE2 3.64Å; E325-Y391 HydrophobicContact CB-CG 4.14Å; E325-Y391 HydrophobicContact CG-CD1 4.22Å; E325-Y391 HydrophobicContact CG-CE1 3.61Å; E325-Y391 HydrophobicContact CG-CE2 4.17Å; E325-Y391 PolarHBondContact OE2-OH 3.38Å; A387-Y391 PolarHBondContact O-N 2.9Å; R388-Y391 PolarHBondContact O-N 3.08Å; H389-Y391 VanDerWaalsContact C-N 3.33Å; H389-Y391 PolarHBondContact O-N 2.88Å; Y391-L393 VanDerWaalsContact C-N 3.27Å; Y391-L393 PolarHBondContact O-N 3.24Å; Y391-Y394 PolarHBondContact O-N 3.17Å; Y391-F395 HydrophobicContact CD2-CB 4.03Å; Y391-F395 CarbonylContact O-C 2.92Å; Y391-F395 WeakPolarHBondContact O-CA 3.4Å; Y391-F395 PolarHBondContact O-N 2.74Å; Y391-A396 HydrophobicContact CD1-CB 4.03Å; Y391-A396 HydrophobicContact CE1-CB 3.66Å; Y391-A396 PolarHBondContact O-N 3.44Å
392	R	86.3	Confident	90.4	Very high	42 Å²	42	21 Å²	21	16%	0.158	9%	0.092	C	C	.	.	H	α-helix	trans	-58.9	-38.1	-177.4	-170.9	-175	72.3	85.2	0.4	112.6	R388 H389 K400 I428 E593 I594 T595	R388-R392 WeakPolarHBondContact O-CB 3.35Å; R388-R392 PolarHBondContact O-N 3.29Å; H389-R392 PolarHBondContact O-N 3.34Å; R392-K400 VanDerWaalsContact O-CD 3.26Å; R392-K400 WeakPolarHBondContact O-CD 3.31Å; R392-K400 WeakPolarHBondContact O-CE 3.36Å; R392-K400 PolarHBondContact O-NZ 3.27Å; R392-I428 PolarHBondContact NH2-O 2.83Å; R392-E593 PolarHBondContact NH1-O 3.47Å; R392-I594 PolarHBondContact NH1-O 3.2Å; R392-I594 PolarHBondContact NH2-O 3.42Å; R392-T595 PolarHBondContact NH2-O 3.12Å
393	L	84.9	Confident	90.7	Very high	1 Å²	1	17.6 Å²	17.6	1%	0.005	8%	0.081	C	C	.	.	H	α-helix	trans	-79	-43.5	-177	-71.1	-178.6	0	0	0	113.1	H389 L390 Y391 A429 Y433	H389-L393 VanDerWaalsContact CE1-CD1 3.4Å; H389-L393 WeakPolarHBondContact CE1-CD1 3.36Å; H389-L393 WeakPolarHBondContact NE2-CD1 3.33Å; H389-L393 WeakPolarHBondContact O-CG 3.4Å; H389-L393 PolarHBondContact O-N 3.31Å; L390-L393 PolarHBondContact O-N 2.7Å; Y391-L393 VanDerWaalsContact C-N 3.27Å; Y391-L393 PolarHBondContact O-N 3.24Å; L393-A429 WeakPolarHBondContact CD2-O 3.33Å; L393-Y433 HydrophobicContact CD2-CE2 4.42Å
394	Y	92	Very high	90.7	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-118.6	-16.9	-163.6	-54.3	-55.4	0	0	0	114.7	I345 L390 Y391 K400 I401 T404 W424 S431	I345-Y394 HydrophobicContact CD1-CD2 3.7Å; I345-Y394 HydrophobicContact CD1-CE2 4.2Å; I345-Y394 HydrophobicContact CD1-CG 4.38Å; I345-Y394 HydrophobicContact CG1-CD2 4.35Å; I345-Y394 HydrophobicContact CG1-CE2 4.37Å; L390-Y394 HydrophobicContact CD2-CD2 4.02Å; L390-Y394 HydrophobicContact CD2-CE2 3.78Å; L390-Y394 PolarHBondContact O-N 2.76Å; Y391-Y394 PolarHBondContact O-N 3.17Å; Y394-K400 CarbonylContact O-C 3.54Å; Y394-I401 WeakPolarHBondContact O-CG1 3.5Å; Y394-I401 PolarHBondContact O-N 3.2Å; Y394-T404 HydrophobicContact CD1-CG2 4.14Å; Y394-T404 WeakPolarHBondContact CD1-OG1 3.31Å; Y394-W424 HydrophobicContact CD1-CZ3 4.5Å; Y394-W424 AromaticContact CE1-CE3 3.94Å; Y394-W424 HydrophobicContact CE1-CE3 3.94Å; Y394-W424 AromaticContact CE1-CZ3 3.89Å; Y394-W424 HydrophobicContact CE1-CZ3 3.89Å; Y394-W424 WeakPolarHBondContact CE2-O 3.2Å; Y394-W424 AromaticContact CZ-CE3 3.93Å; Y394-W424 PolarHBondContact OH-O 3.34Å; Y394-S431 PolarHBondContact OH-N 2.92Å; Y394-S431 PolarHBondContact OH-OG 3.5Å
395	F	93.8	Very high	91.1	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	-131.2	-12.2	-168.9	-56.9	-71.3	0	0	0	116	A203 L321 L324 P340 F341 I345 W347 Y391 S397 I401	A203-F395 HydrophobicContact CB-CD1 3.86Å; A203-F395 HydrophobicContact CB-CE1 3.83Å; L321-F395 HydrophobicContact CD2-CB 3.65Å; L321-F395 HydrophobicContact CD2-CD1 3.81Å; L321-F395 HydrophobicContact CD2-CD2 4.32Å; L321-F395 HydrophobicContact CD2-CG 3.66Å; L324-F395 HydrophobicContact CD1-CD2 4.48Å; P340-F395 HydrophobicContact CB-CE1 3.75Å; P340-F395 HydrophobicContact CB-CZ 3.76Å; F341-F395 AromaticContact CD2-CE1 3.56Å; F341-F395 HydrophobicContact CD2-CE1 3.56Å; F341-F395 HydrophobicContact CD2-CE2 4.39Å; F341-F395 AromaticContact CD2-CZ 3.41Å; F341-F395 HydrophobicContact CD2-CZ 3.41Å; F341-F395 VanDerWaalsContact CD2-CZ 3.41Å; F341-F395 HydrophobicContact CE2-CD1 4.12Å; F341-F395 AromaticContact CE2-CE1 3.35Å; F341-F395 HydrophobicContact CE2-CE1 3.35Å; F341-F395 AromaticContact CE2-CZ 3.7Å; F341-F395 HydrophobicContact CE2-CZ 3.7Å; F341-F395 HydrophobicContact CG-CZ 4.44Å; F341-F395 HydrophobicContact CZ-CE1 4.31Å; I345-F395 HydrophobicContact CD1-CE2 3.95Å; I345-F395 HydrophobicContact CD1-CZ 4.03Å; W347-F395 AromaticContact CH2-CE2 3.75Å; W347-F395 HydrophobicContact CH2-CE2 3.75Å; W347-F395 HydrophobicContact CH2-CZ 4.15Å; W347-F395 HydrophobicContact CZ2-CE2 4.05Å; W347-F395 AromaticContact CZ2-CZ 4Å; W347-F395 HydrophobicContact CZ2-CZ 4Å; Y391-F395 HydrophobicContact CD2-CB 4.03Å; Y391-F395 CarbonylContact O-C 2.92Å; Y391-F395 WeakPolarHBondContact O-CA 3.4Å; Y391-F395 PolarHBondContact O-N 2.74Å; F395-S397 PolarHBondContact O-N 2.88Å; F395-S397 VanDerWaalsContact O-N 3.08Å; F395-I401 HydrophobicContact CD1-CG1 4.26Å
396	A	89.3	Confident	91.5	Very high	5 Å²	5	12.6 Å²	12.6	4%	0.041	6%	0.055	C	C	.	.	S	Bend	trans	-64.9	-14.1	-173.7	0	0	0	0	0	114.9	Y391 K400	Y391-A396 HydrophobicContact CD1-CB 4.03Å; Y391-A396 HydrophobicContact CE1-CB 3.66Å; Y391-A396 PolarHBondContact O-N 3.44Å; A396-K400 HydrophobicContact CB-CD 4.2Å
397	S	91.1	Very high	91.6	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	5%	0.049	C	C	.	.	S	Bend	trans	-158.8	161.2	179.2	48.1	0	0	0	0	111.2	P210 G213 F395 D399 K400 I401	P210-S397 WeakPolarHBondContact O-CA 3.3Å; P210-S397 WeakPolarHBondContact O-CB 3.44Å; G213-S397 VanDerWaalsContact N-CB 3.28Å; G213-S397 PolarHBondContact N-OG 2.94Å; F395-S397 PolarHBondContact O-N 2.88Å; F395-S397 VanDerWaalsContact O-N 3.08Å; S397-D399 VanDerWaalsContact C-N 3.31Å; S397-D399 WeakPolarHBondContact CB-OD1 3.36Å; S397-D399 PolarHBondContact O-N 2.84Å; S397-D399 PolarHBondContact OG-OD1 3.01Å; S397-K400 WeakPolarHBondContact O-CB 3.44Å; S397-K400 PolarHBondContact O-N 3.06Å; S397-K400 WeakPolarHBondContact OG-CD 3.42Å; S397-K400 WeakPolarHBondContact OG-CG 3.42Å; S397-I401 PolarHBondContact O-N 3.24Å
398	V	94.2	Very high	91.8	Very high	1 Å²	1	11.2 Å²	11.2	1%	0.006	5%	0.049	C	C	.	.	H	α-helix	trans	-62.7	-38.6	-177.6	178.3	0	0	0	0	111.4	K98 I99 F205 L209 P210 K400 I401 V402	K98-V398 HydrophobicContact CB-CB 4.1Å; K98-V398 HydrophobicContact CB-CG1 3.91Å; K98-V398 HydrophobicContact CB-CG2 4Å; K98-V398 HydrophobicContact CD-CG2 4.11Å; I99-V398 HydrophobicContact CB-CG1 4.43Å; I99-V398 HydrophobicContact CG1-CG1 3.7Å; F205-V398 HydrophobicContact CD2-CG2 4.48Å; F205-V398 HydrophobicContact CE2-CG2 4.04Å; L209-V398 HydrophobicContact CB-CG2 4.48Å; L209-V398 HydrophobicContact CD2-CG2 3.98Å; L209-V398 HydrophobicContact CG-CG2 4.37Å; P210-V398 PolarHBondContact O-N 2.96Å; V398-K400 VanDerWaalsContact C-N 3.29Å; V398-K400 PolarHBondContact O-N 3.48Å; V398-I401 PolarHBondContact O-N 2.94Å; V398-V402 HydrophobicContact CG1-CG2 4.17Å; V398-V402 WeakPolarHBondContact O-CG2 3.42Å; V398-V402 PolarHBondContact O-N 2.68Å
399	D	91.1	Very high	92.2	Very high	25 Å²	25	7.9 Å²	7.9	13%	0.134	4%	0.037	C	C	.	.	H	α-helix	trans	-61	-35.6	175.9	76.8	-50	0	0	0	112.9	A102 L211 S397 D403 R432	A102-D399 HydrophobicContact CB-CB 4.04Å; L211-D399 WeakPolarHBondContact O-CB 3.36Å; L211-D399 PolarHBondContact O-N 3.4Å; S397-D399 VanDerWaalsContact C-N 3.31Å; S397-D399 WeakPolarHBondContact CB-OD1 3.36Å; S397-D399 PolarHBondContact O-N 2.84Å; S397-D399 PolarHBondContact OG-OD1 3.01Å; D399-D403 WeakPolarHBondContact O-CB 3.46Å; D399-D403 PolarHBondContact O-N 3.44Å; D399-R432 IonicContact OD2-CZ 3.61Å; D399-R432 IonicContact OD2-NH1 3.03Å; D399-R432 IonicContact OD2-NH2 2.82Å; D399-R432 PolarHBondContact OD2-NH2 2.86Å
400	K	90.8	Very high	92.5	Very high	3 Å²	3	7.9 Å²	7.9	1%	0.013	4%	0.037	C	C	.	.	H	α-helix	trans	-66.3	-42.1	175.6	-72.8	178.7	176.5	-173.5	0	112	R392 Y394 A396 S397 V398 T404 E593	R392-K400 VanDerWaalsContact O-CD 3.26Å; R392-K400 WeakPolarHBondContact O-CD 3.31Å; R392-K400 WeakPolarHBondContact O-CE 3.36Å; R392-K400 PolarHBondContact O-NZ 3.27Å; Y394-K400 CarbonylContact O-C 3.54Å; A396-K400 HydrophobicContact CB-CD 4.2Å; S397-K400 WeakPolarHBondContact O-CB 3.44Å; S397-K400 PolarHBondContact O-N 3.06Å; S397-K400 WeakPolarHBondContact OG-CD 3.42Å; S397-K400 WeakPolarHBondContact OG-CG 3.42Å; V398-K400 VanDerWaalsContact C-N 3.29Å; V398-K400 PolarHBondContact O-N 3.48Å; K400-T404 VanDerWaalsContact O-CB 3.27Å; K400-T404 WeakPolarHBondContact O-CB 3.32Å; K400-T404 PolarHBondContact O-N 3.48Å; K400-T404 PolarHBondContact O-OG1 3.03Å; K400-E593 IonicContact NZ-OE1 2.69Å; K400-E593 PolarHBondContact NZ-OE1 2.98Å; K400-E593 VanDerWaalsContact NZ-OE1 3.1Å
401	I	95.6	Very high	92.6	Very high	2 Å²	2	8.3 Å²	8.3	1%	0.01	4%	0.039	C	C	.	.	H	α-helix	trans	-64.5	-48.9	176.3	-63.5	173.3	0	0	0	110.1	L202 F205 L209 F341 Y394 F395 S397 V398 T404 V405	L202-I401 HydrophobicContact CD2-CG2 4.1Å; F205-I401 HydrophobicContact CB-CD1 4.49Å; F205-I401 HydrophobicContact CD1-CD1 3.58Å; F205-I401 HydrophobicContact CE1-CD1 3.92Å; F205-I401 HydrophobicContact CE1-CG2 4.43Å; F205-I401 HydrophobicContact CG-CD1 4.13Å; L209-I401 HydrophobicContact CD2-CD1 3.75Å; F341-I401 HydrophobicContact CZ-CG2 4.14Å; Y394-I401 WeakPolarHBondContact O-CG1 3.5Å; Y394-I401 PolarHBondContact O-N 3.2Å; F395-I401 HydrophobicContact CD1-CG1 4.26Å; S397-I401 PolarHBondContact O-N 3.24Å; V398-I401 PolarHBondContact O-N 2.94Å; I401-T404 PolarHBondContact O-N 3Å; I401-V405 VanDerWaalsContact O-CG2 3.32Å; I401-V405 WeakPolarHBondContact O-CG2 3.27Å; I401-V405 PolarHBondContact O-N 3.23Å
402	V	96	Very high	92.7	Very high	1 Å²	1	8 Å²	8	1%	0.006	4%	0.038	C	C	.	.	H	α-helix	trans	-64.6	-48.7	-177.9	169.1	0	0	0	0	111.9	I99 A102 I103 F160 V398 T404 V405 L406	I99-V402 HydrophobicContact CB-CG2 4.26Å; I99-V402 HydrophobicContact CG1-CG2 4.15Å; I99-V402 HydrophobicContact CG2-CG2 3.93Å; A102-V402 HydrophobicContact CB-CB 4.08Å; A102-V402 HydrophobicContact CB-CG1 4.2Å; A102-V402 HydrophobicContact CB-CG2 4.07Å; I103-V402 HydrophobicContact CD1-CG1 4.4Å; I103-V402 HydrophobicContact CG1-CG1 3.48Å; I103-V402 VanDerWaalsContact CG1-CG1 3.48Å; F160-V402 HydrophobicContact CE1-CG2 4.35Å; F160-V402 HydrophobicContact CZ-CG2 4.38Å; V398-V402 HydrophobicContact CG1-CG2 4.17Å; V398-V402 WeakPolarHBondContact O-CG2 3.42Å; V398-V402 PolarHBondContact O-N 2.68Å; V402-T404 VanDerWaalsContact C-N 3.28Å; V402-T404 PolarHBondContact O-N 2.94Å; V402-V405 WeakPolarHBondContact O-CB 3.27Å; V402-V405 PolarHBondContact O-N 3.02Å; V402-V405 VanDerWaalsContact O-N 3.16Å; V402-L406 HydrophobicContact CG1-CD1 4.12Å; V402-L406 WeakPolarHBondContact O-CG 3.23Å; V402-L406 PolarHBondContact O-N 3.15Å
403	D	92.4	Very high	93.1	Very high	23 Å²	23	6.4 Å²	6.4	12%	0.123	3%	0.032	C	C	.	.	H	α-helix	trans	-60.1	-40.5	177.7	177.9	50.6	0	0	0	111.1	F108 D399 V405 L406 Q407 R432	F108-D403 WeakPolarHBondContact CE2-OD1 3.39Å; D399-D403 WeakPolarHBondContact O-CB 3.46Å; D399-D403 PolarHBondContact O-N 3.44Å; D403-V405 PolarHBondContact O-N 3.22Å; D403-L406 PolarHBondContact O-N 3.36Å; D403-Q407 VanDerWaalsContact O-CB 3.24Å; D403-Q407 WeakPolarHBondContact O-CB 3.47Å; D403-Q407 WeakPolarHBondContact O-CG 3.49Å; D403-Q407 PolarHBondContact O-N 2.73Å; D403-Q407 PolarHBondContact OD1-NE2 3.3Å; D403-Q407 PolarHBondContact OD2-NE2 3.06Å; D403-R432 WeakPolarHBondContact OD2-CG 3.23Å; D403-R432 IonicContact OD2-CZ 2.67Å; D403-R432 IonicContact OD2-NE 3.41Å; D403-R432 IonicContact OD2-NH1 2.62Å; D403-R432 PolarHBondContact OD2-NH1 3.28Å
404	T	94.7	Very high	93.3	Very high	0 Å²	0	7.1 Å²	7.1	0%	0	4%	0.035	C	C	.	.	H	α-helix	trans	-60.6	-44.4	174.1	-59.6	0	0	0	0	112.2	F341 Y394 K400 I401 V402 Q407 I408 W424	F341-T404 HydrophobicContact CD1-CG2 4.02Å; F341-T404 HydrophobicContact CD2-CG2 3.57Å; F341-T404 HydrophobicContact CE1-CG2 3.9Å; F341-T404 HydrophobicContact CE2-CG2 3.44Å; F341-T404 VanDerWaalsContact CE2-CG2 3.44Å; F341-T404 HydrophobicContact CG-CG2 3.87Å; F341-T404 HydrophobicContact CZ-CG2 3.61Å; Y394-T404 HydrophobicContact CD1-CG2 4.14Å; Y394-T404 WeakPolarHBondContact CD1-OG1 3.31Å; K400-T404 VanDerWaalsContact O-CB 3.27Å; K400-T404 WeakPolarHBondContact O-CB 3.32Å; K400-T404 PolarHBondContact O-N 3.48Å; K400-T404 PolarHBondContact O-OG1 3.03Å; I401-T404 PolarHBondContact O-N 3Å; V402-T404 VanDerWaalsContact C-N 3.28Å; V402-T404 PolarHBondContact O-N 2.94Å; T404-Q407 PolarHBondContact O-N 3Å; T404-I408 HydrophobicContact CG2-CD1 3.93Å; T404-I408 HydrophobicContact CG2-CG1 4.49Å; T404-I408 WeakPolarHBondContact O-CB 3.42Å; T404-I408 VanDerWaalsContact O-CG1 3.28Å; T404-I408 WeakPolarHBondContact O-CG1 3.26Å; T404-I408 PolarHBondContact O-N 2.94Å; T404-W424 HydrophobicContact CG2-CH2 4.33Å; T404-W424 HydrophobicContact CG2-CZ3 3.86Å
405	V	97.3	Very high	93.1	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-59.5	-48.5	176	171.2	0	0	0	0	111.1	L158 F160 A185 V200 L202 F341 I401 V402 D403 Q407 I408 I409	L158-V405 HydrophobicContact CD1-CG1 4.3Å; L158-V405 HydrophobicContact CD2-CG1 3.87Å; F160-V405 HydrophobicContact CE1-CG1 4.38Å; F160-V405 HydrophobicContact CE1-CG2 4.21Å; F160-V405 HydrophobicContact CZ-CG1 4.21Å; A185-V405 HydrophobicContact CB-CG1 4Å; A185-V405 HydrophobicContact CB-CG2 4.35Å; V200-V405 HydrophobicContact CG1-CG2 4.04Å; V200-V405 HydrophobicContact CG2-CG1 4.41Å; L202-V405 HydrophobicContact CD2-CG2 3.52Å; F341-V405 HydrophobicContact CE1-CG2 3.76Å; F341-V405 HydrophobicContact CZ-CG2 4.17Å; I401-V405 VanDerWaalsContact O-CG2 3.32Å; I401-V405 WeakPolarHBondContact O-CG2 3.27Å; I401-V405 PolarHBondContact O-N 3.23Å; V402-V405 WeakPolarHBondContact O-CB 3.27Å; V402-V405 PolarHBondContact O-N 3.02Å; V402-V405 VanDerWaalsContact O-N 3.16Å; D403-V405 PolarHBondContact O-N 3.22Å; V405-Q407 VanDerWaalsContact C-N 3.33Å; V405-Q407 PolarHBondContact O-N 3.05Å; V405-I408 PolarHBondContact O-N 2.71Å; V405-I409 HydrophobicContact CG1-CD1 3.97Å; V405-I409 WeakPolarHBondContact O-CG1 3.31Å; V405-I409 PolarHBondContact O-N 3.17Å
406	L	95.4	Very high	92.7	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-66.1	-37.4	-178.4	-66.4	177.6	0	0	0	111.8	V77 F108 L158 V402 D403 I409 Q410	V77-L406 HydrophobicContact CG2-CD1 4.29Å; V77-L406 HydrophobicContact CG2-CD2 3.74Å; F108-L406 HydrophobicContact CB-CD1 3.97Å; F108-L406 HydrophobicContact CD2-CB 3.9Å; F108-L406 HydrophobicContact CD2-CD1 3.47Å; F108-L406 VanDerWaalsContact CD2-CD1 3.47Å; F108-L406 HydrophobicContact CD2-CG 4.33Å; F108-L406 HydrophobicContact CE1-CB 4.41Å; F108-L406 HydrophobicContact CE2-CB 3.79Å; F108-L406 HydrophobicContact CE2-CD1 4.15Å; F108-L406 HydrophobicContact CG-CB 4.26Å; F108-L406 HydrophobicContact CG-CD1 3.85Å; F108-L406 HydrophobicContact CZ-CB 4.06Å; L158-L406 HydrophobicContact CD2-CD2 4.08Å; V402-L406 HydrophobicContact CG1-CD1 4.12Å; V402-L406 WeakPolarHBondContact O-CG 3.23Å; V402-L406 PolarHBondContact O-N 3.15Å; D403-L406 PolarHBondContact O-N 3.36Å; L406-I409 PolarHBondContact O-N 3.4Å; L406-Q410 WeakPolarHBondContact O-CB 3.37Å; L406-Q410 PolarHBondContact O-N 2.85Å
407	Q	92.2	Very high	92.4	Very high	4 Å²	4	21 Å²	21	2%	0.019	10%	0.101	C	C	.	.	H	α-helix	trans	-66	-40.1	174.2	-80	179.5	25.4	0	0	113	F108 D403 T404 V405 I409 Q410 D411 R419 W424	F108-Q407 HydrophobicContact CZ-CG 4.13Å; D403-Q407 VanDerWaalsContact O-CB 3.24Å; D403-Q407 WeakPolarHBondContact O-CB 3.47Å; D403-Q407 WeakPolarHBondContact O-CG 3.49Å; D403-Q407 PolarHBondContact O-N 2.73Å; D403-Q407 PolarHBondContact OD1-NE2 3.3Å; D403-Q407 PolarHBondContact OD2-NE2 3.06Å; T404-Q407 PolarHBondContact O-N 3Å; V405-Q407 VanDerWaalsContact C-N 3.33Å; V405-Q407 PolarHBondContact O-N 3.05Å; Q407-I409 VanDerWaalsContact C-N 3.34Å; Q407-Q410 WeakPolarHBondContact O-CB 3.41Å; Q407-Q410 PolarHBondContact O-N 2.97Å; Q407-D411 WeakPolarHBondContact O-CB 3.33Å; Q407-D411 PolarHBondContact O-N 3.29Å; Q407-R419 VanDerWaalsContact CB-NH2 3.34Å; Q407-R419 PolarHBondContact O-NH2 2.94Å; Q407-W424 HydrophobicContact CB-CH2 3.89Å; Q407-W424 HydrophobicContact CB-CZ2 4.35Å
408	I	95.2	Very high	92.2	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.005	12%	0.124	C	C	.	.	H	α-helix	trans	-62	-44.5	173.4	-74.9	168.2	0	0	0	110.3	V200 F341 E343 V344 T404 V405 D411 R412 W424	V200-I408 HydrophobicContact CG1-CD1 4.15Å; V200-I408 HydrophobicContact CG2-CG2 4.1Å; F341-I408 HydrophobicContact CB-CD1 4.08Å; F341-I408 HydrophobicContact CD1-CD1 3.51Å; F341-I408 HydrophobicContact CE1-CD1 4.19Å; F341-I408 HydrophobicContact CG-CD1 3.99Å; E343-I408 VanDerWaalsContact CD-CG2 3.45Å; E343-I408 HydrophobicContact CG-CG2 4.45Å; E343-I408 WeakPolarHBondContact OE1-CG2 3.06Å; V344-I408 HydrophobicContact CG1-CG1 4.21Å; V344-I408 HydrophobicContact CG2-CD1 3.7Å; V344-I408 HydrophobicContact CG2-CG1 3.95Å; T404-I408 HydrophobicContact CG2-CD1 3.93Å; T404-I408 HydrophobicContact CG2-CG1 4.49Å; T404-I408 WeakPolarHBondContact O-CB 3.42Å; T404-I408 VanDerWaalsContact O-CG1 3.28Å; T404-I408 WeakPolarHBondContact O-CG1 3.26Å; T404-I408 PolarHBondContact O-N 2.94Å; V405-I408 PolarHBondContact O-N 2.71Å; I408-D411 PolarHBondContact O-N 3.39Å; I408-R412 WeakPolarHBondContact O-CG 3.17Å; I408-R412 PolarHBondContact O-N 3.33Å; I408-W424 HydrophobicContact CG1-CH2 3.85Å; I408-W424 HydrophobicContact CG1-CZ2 4.17Å; I408-W424 HydrophobicContact CG1-CZ3 4.43Å
409	I	95.3	Very high	91.9	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-64.5	-42.7	177.5	-67.7	168.4	0	0	0	110.6	I118 L158 I183 V200 V405 L406 Q407 D411 R412 I413	I118-I409 HydrophobicContact CD1-CG2 4.08Å; I118-I409 HydrophobicContact CG1-CG2 4.37Å; L158-I409 HydrophobicContact CD1-CD1 3.91Å; L158-I409 HydrophobicContact CD2-CD1 3.78Å; L158-I409 HydrophobicContact CG-CD1 4.37Å; I183-I409 HydrophobicContact CD1-CD1 4.49Å; I183-I409 HydrophobicContact CG2-CD1 4.39Å; V200-I409 HydrophobicContact CG2-CG1 4.39Å; V405-I409 HydrophobicContact CG1-CD1 3.97Å; V405-I409 WeakPolarHBondContact O-CG1 3.31Å; V405-I409 PolarHBondContact O-N 3.17Å; L406-I409 PolarHBondContact O-N 3.4Å; Q407-I409 VanDerWaalsContact C-N 3.34Å; I409-D411 PolarHBondContact O-N 3.45Å; I409-R412 WeakPolarHBondContact O-CB 3.3Å; I409-R412 PolarHBondContact O-N 3.35Å; I409-R412 VanDerWaalsContact O-N 3.11Å; I409-I413 HydrophobicContact CG2-CD1 3.8Å; I409-I413 HydrophobicContact CG2-CG1 4.41Å; I409-I413 WeakPolarHBondContact O-CG1 3.43Å; I409-I413 PolarHBondContact O-N 3.19Å
410	Q	93	Very high	91.6	Very high	28 Å²	28	29.3 Å²	29.3	13%	0.131	14%	0.141	C	C	.	.	H	α-helix	trans	-57.1	-47.4	174.6	-174.3	173.7	47.8	0	0	112.1	L75 L406 Q407 R412 I413 W414	L75-Q410 HydrophobicContact CB-CG 4.44Å; L75-Q410 HydrophobicContact CD2-CB 3.87Å; L75-Q410 HydrophobicContact CD2-CG 4.44Å; L406-Q410 WeakPolarHBondContact O-CB 3.37Å; L406-Q410 PolarHBondContact O-N 2.85Å; Q407-Q410 WeakPolarHBondContact O-CB 3.41Å; Q407-Q410 PolarHBondContact O-N 2.97Å; Q410-R412 PolarHBondContact O-N 2.64Å; Q410-I413 PolarHBondContact O-N 2.78Å; Q410-I413 VanDerWaalsContact O-N 3.13Å; Q410-W414 HydrophobicContact CG-CD2 4.43Å; Q410-W414 HydrophobicContact CG-CE3 3.56Å; Q410-W414 HydrophobicContact CG-CZ3 3.67Å; Q410-W414 PolarHBondContact O-N 2.6Å
411	D	92.4	Very high	91.4	Very high	9 Å²	9	34.8 Å²	34.8	5%	0.048	16%	0.162	C	C	.	.	H	α-helix	trans	-61.5	-26.1	177	-84.4	10.2	0	0	0	112.9	Q407 I408 I409 K418 R419 W424	Q407-D411 WeakPolarHBondContact O-CB 3.33Å; Q407-D411 PolarHBondContact O-N 3.29Å; I408-D411 PolarHBondContact O-N 3.39Å; I409-D411 PolarHBondContact O-N 3.45Å; D411-K418 HydrophobicContact CB-CB 4.48Å; D411-K418 HydrophobicContact CB-CG 4.07Å; D411-R419 VanDerWaalsContact CG-NH2 3.32Å; D411-R419 IonicContact OD1-CZ 3.35Å; D411-R419 VanDerWaalsContact OD1-CZ 3.27Å; D411-R419 IonicContact OD1-NE 3.51Å; D411-R419 PolarHBondContact OD1-NE 2.97Å; D411-R419 IonicContact OD1-NH2 3.7Å; D411-R419 PolarHBondContact OD1-NH2 3.18Å; D411-R419 IonicContact OD2-CZ 3.69Å; D411-R419 PolarHBondContact OD2-N 3.06Å; D411-R419 IonicContact OD2-NE 3.1Å; D411-R419 IonicContact OD2-NH2 2.66Å; D411-W424 PolarHBondContact OD2-NE1 3.31Å; D411-W424 VanDerWaalsContact OD2-NE1 3.14Å
412	R	93.8	Very high	90.8	Very high	24 Å²	24	38.6 Å²	38.6	9%	0.091	18%	0.182	C	C	.	.	H	α-helix	trans	-79.6	-37.6	174.8	-66.5	166	-175.2	-178.4	-5.7	112.1	M61 Y198 D199 E343 I408 I409 Q410	M61-R412 HydrophobicContact CE-CB 4.06Å; M61-R412 HydrophobicContact CG-CB 4.33Å; M61-R412 HydrophobicContact SD-CB 4.33Å; Y198-R412 VanDerWaalsContact C-NH1 3.28Å; Y198-R412 PolarHBondContact O-NH1 2.92Å; D199-R412 PolarHBondContact O-NH2 3.36Å; E343-R412 IonicContact OE1-CZ 3.27Å; E343-R412 IonicContact OE1-NE 3.83Å; E343-R412 IonicContact OE1-NH2 3.73Å; E343-R412 PolarHBondContact OE1-NH2 3.18Å; E343-R412 IonicContact OE2-CZ 3.6Å; E343-R412 IonicContact OE2-NE 3.58Å; E343-R412 PolarHBondContact OE2-NE 3.48Å; E343-R412 IonicContact OE2-NH2 3.06Å; E343-R412 PolarHBondContact OE2-NH2 3.49Å; I408-R412 WeakPolarHBondContact O-CG 3.17Å; I408-R412 PolarHBondContact O-N 3.33Å; I409-R412 WeakPolarHBondContact O-CB 3.3Å; I409-R412 PolarHBondContact O-N 3.35Å; I409-R412 VanDerWaalsContact O-N 3.11Å; Q410-R412 PolarHBondContact O-N 2.64Å
413	I	93.8	Very high	90.3	Very high	7 Å²	7	39 Å²	39	4%	0.036	18%	0.184	C	C	.	.	H	α-helix	trans	-70.9	-44.3	179.2	-63.8	166.1	0	0	0	110.5	M61 F65 Y67 C70 L75 I409 Q410	M61-I413 HydrophobicContact CE-CG1 4.2Å; F65-I413 HydrophobicContact CE1-CD1 4.05Å; F65-I413 HydrophobicContact CE1-CG1 3.82Å; F65-I413 HydrophobicContact CZ-CD1 3.72Å; F65-I413 HydrophobicContact CZ-CG1 3.94Å; Y67-I413 HydrophobicContact CD1-CG2 4.34Å; C70-I413 HydrophobicContact CB-CD1 4.35Å; C70-I413 HydrophobicContact CB-CG2 3.63Å; L75-I413 HydrophobicContact CD1-CD1 3.7Å; I409-I413 HydrophobicContact CG2-CD1 3.8Å; I409-I413 HydrophobicContact CG2-CG1 4.41Å; I409-I413 WeakPolarHBondContact O-CG1 3.43Å; I409-I413 PolarHBondContact O-N 3.19Å; Q410-I413 PolarHBondContact O-N 2.78Å; Q410-I413 VanDerWaalsContact O-N 3.13Å
414	W	90.4	Very high	90.2	Very high	17 Å²	17	38 Å²	38	6%	0.064	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.6	67.7	-179.3	-56	-33.8	0	0	0	110.3	C70 R73 L75 Q410 W416 E417 K418	C70-W414 PolarHBondContact O-NE1 3.07Å; C70-W414 VanDerWaalsContact O-NE1 3.13Å; R73-W414 HydrophobicContact CB-CH2 4.21Å; R73-W414 HydrophobicContact CG-CH2 3.76Å; R73-W414 HydrophobicContact CG-CZ2 3.9Å; R73-W414 HydrophobicContact CG-CZ3 4.28Å; L75-W414 HydrophobicContact CB-CH2 4.02Å; L75-W414 VanDerWaalsContact N-CH2 3.32Å; Q410-W414 HydrophobicContact CG-CD2 4.43Å; Q410-W414 HydrophobicContact CG-CE3 3.56Å; Q410-W414 HydrophobicContact CG-CZ3 3.67Å; Q410-W414 PolarHBondContact O-N 2.6Å; W414-W416 HydrophobicContact CB-CD2 4.42Å; W414-W416 HydrophobicContact CB-CH2 4.15Å; W414-W416 HydrophobicContact CB-CZ2 3.78Å; W414-W416 AromaticContact CD1-CH2 3.37Å; W414-W416 AromaticContact CD1-CZ2 3.42Å; W414-W416 VanDerWaalsContact CD1-CZ2 3.42Å; W414-W416 HydrophobicContact CG-CH2 4.04Å; W414-W416 AromaticContact CG-CZ2 3.74Å; W414-W416 HydrophobicContact CG-CZ2 3.74Å; W414-W416 PolarHBondContact O-N 2.89Å; W414-W416 VanDerWaalsContact O-N 3.1Å; W414-E417 HydrophobicContact CB-CB 4.47Å; W414-E417 PolarHBondContact O-N 3.28Å; W414-K418 PolarHBondContact O-N 2.69Å
415	S	87.8	Confident	90	Very high	83 Å²	83	38.8 Å²	38.8	58%	0.58	18%	0.183	S	C	*	.	G	3₁₀ helix	trans	-58.8	-24.8	-174.9	60.2	0	0	0	0	114.2	E417 K418	S415-E417 VanDerWaalsContact C-N 3.32Å; S415-K418 VanDerWaalsContact O-CB 3.25Å; S415-K418 WeakPolarHBondContact O-CB 3.25Å; S415-K418 PolarHBondContact O-N 3.43Å
416	W	85.5	Confident	88.9	Confident	168 Å²	168	39.7 Å²	39.7	64%	0.636	19%	0.189	S	C	*	.	G	3₁₀ helix	trans	-71.9	-22.5	175.7	61.4	84.9	0	0	0	113.6	W414	W414-W416 HydrophobicContact CB-CD2 4.42Å; W414-W416 HydrophobicContact CB-CH2 4.15Å; W414-W416 HydrophobicContact CB-CZ2 3.78Å; W414-W416 AromaticContact CD1-CH2 3.37Å; W414-W416 AromaticContact CD1-CZ2 3.42Å; W414-W416 VanDerWaalsContact CD1-CZ2 3.42Å; W414-W416 HydrophobicContact CG-CH2 4.04Å; W414-W416 AromaticContact CG-CZ2 3.74Å; W414-W416 HydrophobicContact CG-CZ2 3.74Å; W414-W416 PolarHBondContact O-N 2.89Å; W414-W416 VanDerWaalsContact O-N 3.1Å
417	E	83.3	Confident	87.2	Confident	46 Å²	46	40.7 Å²	40.7	22%	0.215	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-107	10.6	176.9	-92.8	161.9	-144.5	0	0	112.6	R73 W414 S415 R419	R73-E417 IonicContact CZ-OE1 2.75Å; R73-E417 IonicContact CZ-OE2 3.4Å; R73-E417 IonicContact NH1-OE1 3.05Å; R73-E417 PolarHBondContact NH1-OE1 3.32Å; R73-E417 IonicContact NH1-OE2 3.21Å; R73-E417 PolarHBondContact NH1-OE2 2.83Å; R73-E417 VanDerWaalsContact NH2-CD 3.32Å; R73-E417 IonicContact NH2-OE1 3.25Å; R73-E417 PolarHBondContact NH2-OE1 2.74Å; R73-E417 IonicContact NH2-OE2 3.77Å; R73-E417 PolarHBondContact NH2-OE2 3.29Å; W414-E417 HydrophobicContact CB-CB 4.47Å; W414-E417 PolarHBondContact O-N 3.28Å; S415-E417 VanDerWaalsContact C-N 3.32Å; E417-R419 PolarHBondContact O-N 2.73Å
418	K	86.8	Confident	85.8	Confident	112 Å²	112	41.1 Å²	41.1	49%	0.487	20%	0.202	S	C	.	.	P	Polyproline II helix	trans	-59	127.2	-176.3	174.7	170.7	-179.4	177.4	0	111	D411 W414 S415 T420	D411-K418 HydrophobicContact CB-CB 4.48Å; D411-K418 HydrophobicContact CB-CG 4.07Å; W414-K418 PolarHBondContact O-N 2.69Å; S415-K418 VanDerWaalsContact O-CB 3.25Å; S415-K418 WeakPolarHBondContact O-CB 3.25Å; S415-K418 PolarHBondContact O-N 3.43Å; K418-T420 PolarHBondContact O-N 2.79Å
419	R	86.7	Confident	84.5	Confident	13 Å²	13	41.1 Å²	41.1	5%	0.049	20%	0.202	C	C	.	.	P	Polyproline II helix	trans	-64.3	134.4	172.8	-75.9	159.5	-75.5	155.1	-2.6	110.3	Q407 D411 E417 I423 S431	Q407-R419 VanDerWaalsContact CB-NH2 3.34Å; Q407-R419 PolarHBondContact O-NH2 2.94Å; D411-R419 VanDerWaalsContact CG-NH2 3.32Å; D411-R419 IonicContact OD1-CZ 3.35Å; D411-R419 VanDerWaalsContact OD1-CZ 3.27Å; D411-R419 IonicContact OD1-NE 3.51Å; D411-R419 PolarHBondContact OD1-NE 2.97Å; D411-R419 IonicContact OD1-NH2 3.7Å; D411-R419 PolarHBondContact OD1-NH2 3.18Å; D411-R419 IonicContact OD2-CZ 3.69Å; D411-R419 PolarHBondContact OD2-N 3.06Å; D411-R419 IonicContact OD2-NE 3.1Å; D411-R419 IonicContact OD2-NH2 2.66Å; E417-R419 PolarHBondContact O-N 2.73Å; R419-I423 HydrophobicContact CB-CB 4.35Å; R419-I423 HydrophobicContact CB-CD1 4.24Å; R419-I423 HydrophobicContact CB-CG2 4.2Å; R419-I423 HydrophobicContact CG-CD1 4.23Å; R419-I423 HydrophobicContact CG-CG2 4.25Å; R419-S431 PolarHBondContact NH1-O 2.87Å
420	T	85.9	Confident	83.4	Confident	74 Å²	74	41.1 Å²	41.1	45%	0.454	20%	0.202	S	C	.	.	P	Polyproline II helix	trans	-68	156.2	-179.3	66.7	0	0	0	0	111.1	K418 L422 I423 W424	K418-T420 PolarHBondContact O-N 2.79Å; T420-L422 PolarHBondContact O-N 3.4Å; T420-L422 VanDerWaalsContact O-N 3.13Å; T420-I423 WeakPolarHBondContact O-CB 3.35Å; T420-I423 PolarHBondContact O-N 3.21Å; T420-I423 PolarHBondContact OG1-N 2.93Å; T420-W424 PolarHBondContact O-N 3.48Å
421	R	86.1	Confident	82.6	Confident	118 Å²	118	39.8 Å²	39.8	45%	0.445	20%	0.195	S	C	.	.	H	α-helix	trans	-57	-28.5	173.9	-167.3	175.3	-167.6	-162.8	2.2	112.3	D346 W424 N425	D346-R421 VanDerWaalsContact CA-NH2 3.3Å; D346-R421 VanDerWaalsContact CG-CZ 3.46Å; D346-R421 IonicContact OD1-CZ 2.91Å; D346-R421 IonicContact OD1-NH1 3.87Å; D346-R421 IonicContact OD1-NH2 3.74Å; D346-R421 PolarHBondContact OD1-NH2 3.06Å; D346-R421 IonicContact OD2-CZ 3.67Å; D346-R421 IonicContact OD2-NH1 2.72Å; D346-R421 IonicContact OD2-NH2 3.44Å; R421-W424 PolarHBondContact O-N 2.95Å; R421-N425 WeakPolarHBondContact CG-ND2 3.3Å; R421-N425 PolarHBondContact O-N 3.46Å; R421-N425 PolarHBondContact O-ND2 3.16Å
422	L	83.8	Confident	81.8	Confident	83 Å²	83	41.3 Å²	41.3	44%	0.435	20%	0.201	S	C	.	.	H	α-helix	trans	-60.2	-51.4	172.9	-177.5	65.2	0	0	0	110.3	T420 W424 N425 S426 L442	T420-L422 PolarHBondContact O-N 3.4Å; T420-L422 VanDerWaalsContact O-N 3.13Å; L422-W424 VanDerWaalsContact C-N 3.29Å; L422-W424 PolarHBondContact O-N 3.47Å; L422-N425 CarbonylContact O-C 3.37Å; L422-N425 PolarHBondContact O-N 3.46Å; L422-S426 WeakPolarHBondContact O-CA 3.45Å; L422-S426 WeakPolarHBondContact O-CB 3.44Å; L422-S426 PolarHBondContact O-N 2.78Å; L422-S426 PolarHBondContact O-OG 3.12Å; L422-L442 HydrophobicContact CD2-CD1 3.74Å
423	I	85.5	Confident	80.9	Confident	9 Å²	9	41.6 Å²	41.6	5%	0.046	20%	0.202	C	C	.	.	H	α-helix	trans	-57.6	-42.6	-180	-67.1	165.8	0	0	0	111.8	R419 T420 N425 S426 G430 S431 H434 L442 Y448	R419-I423 HydrophobicContact CB-CB 4.35Å; R419-I423 HydrophobicContact CB-CD1 4.24Å; R419-I423 HydrophobicContact CB-CG2 4.2Å; R419-I423 HydrophobicContact CG-CD1 4.23Å; R419-I423 HydrophobicContact CG-CG2 4.25Å; T420-I423 WeakPolarHBondContact O-CB 3.35Å; T420-I423 PolarHBondContact O-N 3.21Å; T420-I423 PolarHBondContact OG1-N 2.93Å; I423-N425 VanDerWaalsContact C-N 3.25Å; I423-N425 PolarHBondContact O-N 3.35Å; I423-S426 WeakPolarHBondContact CA-OG 3.28Å; I423-S426 PolarHBondContact O-OG 3.1Å; I423-G430 CarbonylContact O-C 3.52Å; I423-G430 WeakPolarHBondContact O-CA 3.38Å; I423-S431 PolarHBondContact O-N 3.49Å; I423-H434 HydrophobicContact CG2-CB 3.82Å; I423-L442 HydrophobicContact CD1-CD2 3.83Å; I423-L442 HydrophobicContact CG1-CD2 3.61Å; I423-Y448 WeakPolarHBondContact CA-OH 3.36Å; I423-Y448 HydrophobicContact CG1-CE1 4.46Å
424	W	89.5	Confident	80.1	Confident	2 Å²	2	42.1 Å²	42.1	1%	0.008	20%	0.204	C	C	.	.	H	α-helix	trans	-65.8	-23	178.7	-76.1	101.3	0	0	0	114.5	V344 Y394 T404 Q407 I408 D411 T420 R421 L422 S431	V344-W424 HydrophobicContact CB-CB 4Å; V344-W424 HydrophobicContact CB-CD2 3.52Å; V344-W424 HydrophobicContact CB-CE3 3.86Å; V344-W424 HydrophobicContact CB-CG 3.58Å; V344-W424 HydrophobicContact CG1-CD2 3.72Å; V344-W424 HydrophobicContact CG1-CE3 4.34Å; V344-W424 HydrophobicContact CG1-CG 3.88Å; V344-W424 HydrophobicContact CG1-CZ2 4.1Å; V344-W424 HydrophobicContact CG2-CD2 3.92Å; V344-W424 HydrophobicContact CG2-CE3 3.72Å; V344-W424 HydrophobicContact CG2-CG 4.43Å; V344-W424 HydrophobicContact CG2-CZ3 4.06Å; V344-W424 WeakPolarHBondContact O-CB 3.47Å; Y394-W424 HydrophobicContact CD1-CZ3 4.5Å; Y394-W424 AromaticContact CE1-CE3 3.94Å; Y394-W424 HydrophobicContact CE1-CE3 3.94Å; Y394-W424 AromaticContact CE1-CZ3 3.89Å; Y394-W424 HydrophobicContact CE1-CZ3 3.89Å; Y394-W424 WeakPolarHBondContact CE2-O 3.2Å; Y394-W424 AromaticContact CZ-CE3 3.93Å; Y394-W424 PolarHBondContact OH-O 3.34Å; T404-W424 HydrophobicContact CG2-CH2 4.33Å; T404-W424 HydrophobicContact CG2-CZ3 3.86Å; Q407-W424 HydrophobicContact CB-CH2 3.89Å; Q407-W424 HydrophobicContact CB-CZ2 4.35Å; I408-W424 HydrophobicContact CG1-CH2 3.85Å; I408-W424 HydrophobicContact CG1-CZ2 4.17Å; I408-W424 HydrophobicContact CG1-CZ3 4.43Å; D411-W424 PolarHBondContact OD2-NE1 3.31Å; D411-W424 VanDerWaalsContact OD2-NE1 3.14Å; T420-W424 PolarHBondContact O-N 3.48Å; R421-W424 PolarHBondContact O-N 2.95Å; L422-W424 VanDerWaalsContact C-N 3.29Å; L422-W424 PolarHBondContact O-N 3.47Å; W424-S431 VanDerWaalsContact CD2-CB 3.43Å; W424-S431 VanDerWaalsContact CH2-OG 3.29Å; W424-S431 WeakPolarHBondContact CH2-OG 3.31Å; W424-S431 WeakPolarHBondContact CZ3-OG 3.4Å
425	N	89.3	Confident	79.5	Confident	16 Å²	16	41.9 Å²	41.9	9%	0.086	21%	0.205	C	C	.	.	H	α-helix	trans	-118.7	-4.6	-174.1	-67.1	-80.4	0	0	0	114.7	V344 I345 D346 L349 Q386 R421 L422 I423	V344-N425 PolarHBondContact O-ND2 3.3Å; I345-N425 WeakPolarHBondContact CA-OD1 3.49Å; D346-N425 PolarHBondContact N-OD1 3.47Å; L349-N425 HydrophobicContact CD1-CB 4.18Å; Q386-N425 PolarHBondContact NE2-O 3.42Å; R421-N425 WeakPolarHBondContact CG-ND2 3.3Å; R421-N425 PolarHBondContact O-N 3.46Å; R421-N425 PolarHBondContact O-ND2 3.16Å; L422-N425 CarbonylContact O-C 3.37Å; L422-N425 PolarHBondContact O-N 3.46Å; I423-N425 VanDerWaalsContact C-N 3.25Å; I423-N425 PolarHBondContact O-N 3.35Å
426	S	74.4	Confident	78.9	Confident	19 Å²	19	39.8 Å²	39.8	13%	0.133	19%	0.189	C	C	.	.	S	Bend	trans	-94.3	167.4	-173.5	55.2	0	0	0	0	112.4	H389 L422 I423 Y448	H389-S426 PolarHBondContact NE2-O 3.14Å; L422-S426 WeakPolarHBondContact O-CA 3.45Å; L422-S426 WeakPolarHBondContact O-CB 3.44Å; L422-S426 PolarHBondContact O-N 2.78Å; L422-S426 PolarHBondContact O-OG 3.12Å; I423-S426 WeakPolarHBondContact CA-OG 3.28Å; I423-S426 PolarHBondContact O-OG 3.1Å; S426-Y448 WeakPolarHBondContact OG-CE1 3.39Å; S426-Y448 VanDerWaalsContact OG-CZ 3.24Å; S426-Y448 PolarHBondContact OG-OH 2.87Å
427	G	61.1	Low	78.5	Confident	21 Å²	21	36.9 Å²	36.9	22%	0.216	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	158.9	-159.4	0	0	0	0	0	116.4	A429	G427-A429 VanDerWaalsContact C-N 3.29Å; G427-A429 PolarHBondContact O-N 2.84Å
428	I	63	Low	78.3	Confident	13 Å²	13	36.9 Å²	36.9	7%	0.067	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	60	-66.8	163.6	-60.2	-177.3	0	0	0	115.2	H389 R392 F447 H516 T595	H389-I428 PolarHBondContact CE1-N 2.81Å; H389-I428 VanDerWaalsContact CE1-N 3.26Å; H389-I428 PolarHBondContact CE1-O 2.92Å; R392-I428 PolarHBondContact NH2-O 2.83Å; I428-F447 HydrophobicContact CB-CB 4.41Å; I428-F447 HydrophobicContact CB-CD1 3.74Å; I428-F447 HydrophobicContact CB-CE1 4.44Å; I428-F447 HydrophobicContact CB-CG 4.35Å; I428-F447 HydrophobicContact CG2-CD1 3.48Å; I428-F447 VanDerWaalsContact CG2-CD1 3.48Å; I428-F447 HydrophobicContact CG2-CE1 3.73Å; I428-F447 HydrophobicContact CG2-CG 4.47Å; I428-H516 HydrophobicContact CD1-CB 3.61Å; I428-H516 WeakPolarHBondContact CD1-CD2 3.23Å; I428-H516 HydrophobicContact CG2-CB 4.34Å; I428-T595 HydrophobicContact CG2-CG2 3.29Å
429	A	67.2	Low	78.1	Confident	1 Å²	1	32.5 Å²	32.5	1%	0.008	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-31	-174.9	0	0	0	0	0	114.6	L393 G427 Y433 F447 I594	L393-A429 WeakPolarHBondContact CD2-O 3.33Å; G427-A429 VanDerWaalsContact C-N 3.29Å; G427-A429 PolarHBondContact O-N 2.84Å; A429-Y433 HydrophobicContact CB-CD2 4.46Å; A429-Y433 WeakPolarHBondContact O-CD2 3.23Å; A429-F447 HydrophobicContact CB-CD1 4.1Å; A429-F447 HydrophobicContact CB-CD2 3.43Å; A429-F447 VanDerWaalsContact CB-CD2 3.43Å; A429-F447 HydrophobicContact CB-CE1 3.93Å; A429-F447 HydrophobicContact CB-CE2 3.28Å; A429-F447 HydrophobicContact CB-CG 3.84Å; A429-F447 HydrophobicContact CB-CZ 3.55Å; A429-I594 HydrophobicContact CB-CG2 3.69Å
430	G	71.9	Confident	77.6	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.8	-156.7	-166.3	0	0	0	0	0	113.3	I423	I423-G430 CarbonylContact O-C 3.52Å; I423-G430 WeakPolarHBondContact O-CA 3.38Å
431	S	76.2	Confident	77.3	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-24	-177.4	69.7	0	0	0	0	114.4	Y394 R419 I423 W424 Y433 H434	Y394-S431 PolarHBondContact OH-N 2.92Å; Y394-S431 PolarHBondContact OH-OG 3.5Å; R419-S431 PolarHBondContact NH1-O 2.87Å; I423-S431 PolarHBondContact O-N 3.49Å; W424-S431 VanDerWaalsContact CD2-CB 3.43Å; W424-S431 VanDerWaalsContact CH2-OG 3.29Å; W424-S431 WeakPolarHBondContact CH2-OG 3.31Å; W424-S431 WeakPolarHBondContact CZ3-OG 3.4Å; S431-Y433 VanDerWaalsContact C-N 3.3Å; S431-Y433 PolarHBondContact O-N 2.96Å; S431-H434 PolarHBondContact O-N 2.03Å
432	R	75	Confident	76.9	Confident	41 Å²	41	38.9 Å²	38.9	16%	0.155	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-39.7	-175.5	172.1	171.3	172.2	112.9	-17.2	111.9	D399 D403	D399-R432 IonicContact OD2-CZ 3.61Å; D399-R432 IonicContact OD2-NH1 3.03Å; D399-R432 IonicContact OD2-NH2 2.82Å; D399-R432 PolarHBondContact OD2-NH2 2.86Å; D403-R432 WeakPolarHBondContact OD2-CG 3.23Å; D403-R432 IonicContact OD2-CZ 2.67Å; D403-R432 IonicContact OD2-NE 3.41Å; D403-R432 IonicContact OD2-NH1 2.62Å; D403-R432 PolarHBondContact OD2-NH1 3.28Å
433	Y	75.6	Confident	76.5	Confident	31 Å²	31	42.5 Å²	42.5	12%	0.122	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.9	24.4	178.3	-51.3	-68.5	0	0	0	111.6	L393 A429 S431 Y559 E593 I594	L393-Y433 HydrophobicContact CD2-CE2 4.42Å; A429-Y433 HydrophobicContact CB-CD2 4.46Å; A429-Y433 WeakPolarHBondContact O-CD2 3.23Å; S431-Y433 VanDerWaalsContact C-N 3.3Å; S431-Y433 PolarHBondContact O-N 2.96Å; Y433-Y559 VanDerWaalsContact C-OH 3.29Å; Y433-Y559 WeakPolarHBondContact O-CE1 3.13Å; Y433-Y559 PolarHBondContact O-OH 3.22Å; Y433-E593 WeakPolarHBondContact OH-CG 3.48Å; Y433-E593 PolarHBondContact OH-OE1 3.08Å; Y433-I594 HydrophobicContact CD1-CG1 3.69Å; Y433-I594 HydrophobicContact CD2-CB 4.07Å; Y433-I594 HydrophobicContact CD2-CG1 4.04Å; Y433-I594 HydrophobicContact CD2-CG2 3.81Å; Y433-I594 HydrophobicContact CE1-CG1 4.08Å; Y433-I594 HydrophobicContact CE2-CB 4.44Å; Y433-I594 HydrophobicContact CE2-CG1 4.39Å; Y433-I594 HydrophobicContact CG-CB 4.16Å; Y433-I594 HydrophobicContact CG-CG1 3.68Å; Y433-I594 HydrophobicContact CG-CG2 3.89Å
434	H	77.7	Confident	76.3	Confident	18 Å²	18	44.6 Å²	44.6	8%	0.083	22%	0.217	C	C	.	.			trans	-102.8	119.9	168	176	-73.6	0	0	0	108.4	I423 S431 F445	I423-H434 HydrophobicContact CG2-CB 3.82Å; S431-H434 PolarHBondContact O-N 2.03Å; H434-F445 AromaticContact CD2-CE1 3.87Å; H434-F445 AromaticContact CD2-CE2 3.82Å; H434-F445 AromaticContact CD2-CZ 3.62Å; H434-F445 AromaticContact CE1-CZ 3.89Å; H434-F445 AromaticContact NE2-CE2 3.42Å; H434-F445 WeakPolarHBondContact NE2-CE2 3.36Å; H434-F445 AromaticContact NE2-CZ 3.39Å; H434-F445 WeakPolarHBondContact NE2-CZ 3.45Å
435	S	78.1	Confident	75.8	Confident	12 Å²	12	44.5 Å²	44.5	8%	0.084	22%	0.217	C	C	.	.			trans	-108.8	121.6	173.2	-171.8	0	0	0	0	111.6	D437 F438 F445 Y559 W562	S435-D437 PolarHBondContact O-N 3.07Å; S435-D437 PolarHBondContact OG-N 3.21Å; S435-F438 PolarHBondContact O-N 2.98Å; S435-F445 WeakPolarHBondContact O-CZ 3.02Å; S435-Y559 PolarHBondContact N-OH 3.06Å; S435-Y559 VanDerWaalsContact N-OH 3.17Å; S435-W562 WeakPolarHBondContact OG-CH2 3.42Å
436	V	74.4	Confident	75.3	Confident	38 Å²	38	43.9 Å²	43.9	23%	0.23	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-23.8	170.4	-65.8	0	0	0	0	111.8	F438	V436-F438 PolarHBondContact O-N 3.45Å
437	D	77.7	Confident	75.5	Confident	108 Å²	108	44.3 Å²	44.3	58%	0.578	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70	-17.9	175.9	-59.1	-45	0	0	0	112.6	S435 W562	S435-D437 PolarHBondContact O-N 3.07Å; S435-D437 PolarHBondContact OG-N 3.21Å; D437-W562 HydrophobicContact CB-CH2 4.37Å; D437-W562 HydrophobicContact CB-CZ2 3.84Å
438	F	79.2	Confident	76	Confident	46 Å²	46	45 Å²	45	20%	0.202	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-50.6	176.6	175.2	-98.3	0	0	0	112.2	S435 V436 D444 F445 R558 Y559 W562	S435-F438 PolarHBondContact O-N 2.98Å; V436-F438 PolarHBondContact O-N 3.45Å; F438-D444 HydrophobicContact CE1-CB 4.21Å; F438-D444 VanDerWaalsContact CE1-O 3.3Å; F438-D444 WeakPolarHBondContact CE1-O 3.37Å; F438-F445 HydrophobicContact CB-CE1 4.46Å; F438-F445 HydrophobicContact CD1-CD1 4.23Å; F438-F445 AromaticContact CD1-CE1 3.75Å; F438-F445 HydrophobicContact CD1-CE1 3.75Å; F438-F445 HydrophobicContact CD1-CE2 4.49Å; F438-F445 AromaticContact CD1-CZ 3.9Å; F438-F445 HydrophobicContact CD1-CZ 3.9Å; F438-F445 HydrophobicContact CG-CE1 4.49Å; F438-R558 HydrophobicContact CE2-CG 4.48Å; F438-Y559 HydrophobicContact CB-CD2 4.12Å; F438-Y559 HydrophobicContact CB-CE2 3.81Å; F438-Y559 AromaticContact CD1-CD2 3.39Å; F438-Y559 HydrophobicContact CD1-CD2 3.39Å; F438-Y559 AromaticContact CD1-CE2 3.83Å; F438-Y559 HydrophobicContact CD1-CE2 3.83Å; F438-Y559 HydrophobicContact CD1-CG 4.45Å; F438-Y559 AromaticContact CD2-CD2 3.8Å; F438-Y559 HydrophobicContact CD2-CD2 3.8Å; F438-Y559 HydrophobicContact CD2-CE2 4.3Å; F438-Y559 AromaticContact CE1-CD2 3.65Å; F438-Y559 HydrophobicContact CE1-CD2 3.65Å; F438-Y559 HydrophobicContact CE1-CG 4.36Å; F438-Y559 HydrophobicContact CE2-CD2 4.01Å; F438-Y559 AromaticContact CG-CD2 3.47Å; F438-Y559 HydrophobicContact CG-CD2 3.47Å; F438-Y559 VanDerWaalsContact CG-CD2 3.47Å; F438-Y559 AromaticContact CG-CE2 3.7Å; F438-Y559 HydrophobicContact CG-CE2 3.7Å; F438-Y559 AromaticContact CZ-CD2 3.95Å; F438-Y559 HydrophobicContact CZ-CD2 3.95Å; F438-W562 HydrophobicContact CB-CD2 3.9Å; F438-W562 HydrophobicContact CB-CE3 4.09Å; F438-W562 HydrophobicContact CB-CG 4.41Å; F438-W562 HydrophobicContact CB-CZ2 4.37Å; F438-W562 HydrophobicContact CB-CZ3 4.49Å; F438-W562 HydrophobicContact CD2-CB 3.73Å; F438-W562 AromaticContact CD2-CD1 3.8Å; F438-W562 AromaticContact CD2-CD2 3.89Å; F438-W562 HydrophobicContact CD2-CD2 3.89Å; F438-W562 AromaticContact CD2-CG 3.5Å; F438-W562 HydrophobicContact CD2-CG 3.5Å; F438-W562 VanDerWaalsContact CD2-CG 3.5Å; F438-W562 HydrophobicContact CE2-CB 4.01Å; F438-W562 HydrophobicContact CE2-CG 4.25Å; F438-W562 HydrophobicContact CG-CD2 4.31Å; F438-W562 HydrophobicContact CG-CG 4.36Å
439	S	81.1	Confident	76.1	Confident	19 Å²	19	48.4 Å²	48.4	13%	0.133	22%	0.224	C	C	.	.			trans	-167.3	150.2	175.8	179.9	0	0	0	0	111.1	R441 D444 F445	S439-R441 PolarHBondContact OG-N 3.1Å; S439-D444 WeakPolarHBondContact CB-OD2 3.46Å; S439-D444 PolarHBondContact OG-OD2 3.49Å; S439-F445 WeakPolarHBondContact O-CE2 3.45Å; S439-F445 VanDerWaalsContact O-CZ 3.29Å; S439-F445 WeakPolarHBondContact O-CZ 3.19Å
440	D	76.6	Confident	75.6	Confident	135 Å²	135	57 Å²	57	72%	0.722	26%	0.261	S	S	*	.	S	Bend	trans	-86.4	-10	170.8	-62.9	-35.7	0	0	0	113.2
441	R	79.3	Confident	74.7	Confident	148 Å²	148	61 Å²	61	56%	0.558	29%	0.287	S	S	*	.			trans	-98.4	121	-175.4	-61	177	178.1	164.8	-3.4	110.6	S439 R443 D444 F445	S439-R441 PolarHBondContact OG-N 3.1Å; R441-R443 HydrophobicContact CB-CG 4.26Å; R441-R443 VanDerWaalsContact NH1-NH2 3.13Å; R441-R443 PolarHBondContact O-N 2.52Å; R441-R443 VanDerWaalsContact O-N 3.15Å; R441-D444 WeakPolarHBondContact O-CB 3.3Å; R441-D444 PolarHBondContact O-N 3.24Å; R441-F445 WeakPolarHBondContact O-CD2 3.21Å
442	L	77.4	Confident	73.5	Confident	56 Å²	56	63.3 Å²	63.3	29%	0.293	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-53	-40	178.7	-68.1	178.1	0	0	0	113.3	L422 I423 D444 F445 Y448	L422-L442 HydrophobicContact CD2-CD1 3.74Å; I423-L442 HydrophobicContact CD1-CD2 3.83Å; I423-L442 HydrophobicContact CG1-CD2 3.61Å; L442-D444 PolarHBondContact O-N 3.12Å; L442-F445 PolarHBondContact O-N 2.67Å; L442-Y448 HydrophobicContact CB-CD1 4.36Å; L442-Y448 HydrophobicContact CB-CG 4.22Å; L442-Y448 HydrophobicContact CD1-CD1 4.39Å; L442-Y448 HydrophobicContact CD2-CD1 3.94Å; L442-Y448 HydrophobicContact CD2-CE1 3.96Å; L442-Y448 HydrophobicContact CD2-CG 4.21Å; L442-Y448 HydrophobicContact CG-CD1 4.47Å; L442-Y448 VanDerWaalsContact O-CB 3.24Å; L442-Y448 WeakPolarHBondContact O-CB 3.18Å
443	R	77.3	Confident	72.3	Confident	159 Å²	159	70.9 Å²	70.9	60%	0.6	34%	0.343	S	S	*	.	G	3₁₀ helix	trans	-60.3	-19.2	-179.8	72.1	-176.4	179.8	-172.8	-1.8	114.4	R441 F445	R441-R443 HydrophobicContact CB-CG 4.26Å; R441-R443 VanDerWaalsContact NH1-NH2 3.13Å; R441-R443 PolarHBondContact O-N 2.52Å; R441-R443 VanDerWaalsContact O-N 3.15Å; R443-F445 PolarHBondContact O-N 2.9Å
444	D	80.1	Confident	71.3	Confident	53 Å²	53	73.4 Å²	73.4	28%	0.283	37%	0.366	S	S	.	.	G	3₁₀ helix	trans	-81.3	-4	179.7	-59	-6	0	0	0	111.2	F438 S439 R441 L442 H557	F438-D444 HydrophobicContact CE1-CB 4.21Å; F438-D444 VanDerWaalsContact CE1-O 3.3Å; F438-D444 WeakPolarHBondContact CE1-O 3.37Å; S439-D444 WeakPolarHBondContact CB-OD2 3.46Å; S439-D444 PolarHBondContact OG-OD2 3.49Å; R441-D444 WeakPolarHBondContact O-CB 3.3Å; R441-D444 PolarHBondContact O-N 3.24Å; L442-D444 PolarHBondContact O-N 3.12Å; D444-H557 PolarHBondContact O-CE1 3.03Å; D444-H557 PolarHBondContact O-NE2 3.03Å
445	F	79.1	Confident	70.2	Confident	1 Å²	1	75.3 Å²	75.3	0%	0.004	38%	0.384	C	S	.	.	S	Bend	trans	-106.7	143.3	177.7	-62.9	-93.2	0	0	0	110.7	H434 S435 F438 S439 R441 L442 R443 F447 Y448 Y559	H434-F445 AromaticContact CD2-CE1 3.87Å; H434-F445 AromaticContact CD2-CE2 3.82Å; H434-F445 AromaticContact CD2-CZ 3.62Å; H434-F445 AromaticContact CE1-CZ 3.89Å; H434-F445 AromaticContact NE2-CE2 3.42Å; H434-F445 WeakPolarHBondContact NE2-CE2 3.36Å; H434-F445 AromaticContact NE2-CZ 3.39Å; H434-F445 WeakPolarHBondContact NE2-CZ 3.45Å; S435-F445 WeakPolarHBondContact O-CZ 3.02Å; F438-F445 HydrophobicContact CB-CE1 4.46Å; F438-F445 HydrophobicContact CD1-CD1 4.23Å; F438-F445 AromaticContact CD1-CE1 3.75Å; F438-F445 HydrophobicContact CD1-CE1 3.75Å; F438-F445 HydrophobicContact CD1-CE2 4.49Å; F438-F445 AromaticContact CD1-CZ 3.9Å; F438-F445 HydrophobicContact CD1-CZ 3.9Å; F438-F445 HydrophobicContact CG-CE1 4.49Å; S439-F445 WeakPolarHBondContact O-CE2 3.45Å; S439-F445 VanDerWaalsContact O-CZ 3.29Å; S439-F445 WeakPolarHBondContact O-CZ 3.19Å; R441-F445 WeakPolarHBondContact O-CD2 3.21Å; L442-F445 PolarHBondContact O-N 2.67Å; R443-F445 PolarHBondContact O-N 2.9Å; F445-F447 HydrophobicContact CB-CD2 4.26Å; F445-F447 PolarHBondContact O-N 3.35Å; F445-Y448 HydrophobicContact CB-CD2 3.72Å; F445-Y448 HydrophobicContact CB-CE2 4.31Å; F445-Y448 PolarHBondContact O-N 2.72Å; F445-Y559 HydrophobicContact CD1-CD1 4.21Å; F445-Y559 AromaticContact CD1-CD2 3.84Å; F445-Y559 HydrophobicContact CD1-CD2 3.84Å; F445-Y559 HydrophobicContact CD1-CE1 4.08Å; F445-Y559 AromaticContact CD1-CE2 3.74Å; F445-Y559 HydrophobicContact CD1-CE2 3.74Å; F445-Y559 HydrophobicContact CD1-CG 4.09Å; F445-Y559 AromaticContact CD1-CZ 3.86Å; F445-Y559 AromaticContact CE1-CD2 3.9Å; F445-Y559 HydrophobicContact CE1-CD2 3.9Å; F445-Y559 HydrophobicContact CE1-CE1 4.45Å; F445-Y559 AromaticContact CE1-CE2 3.46Å; F445-Y559 HydrophobicContact CE1-CE2 3.46Å; F445-Y559 VanDerWaalsContact CE1-CE2 3.46Å; F445-Y559 AromaticContact CE1-CZ 3.76Å
446	P	78.7	Confident	69.3	Low	3 Å²	3	82.4 Å²	82.4	2%	0.019	41%	0.409	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-8.9	-173.1	22.3	-27.9	0	0	0	114.8	P515 H557 Y559 Y560	P446-P515 HydrophobicContact CB-CB 4.35Å; P446-P515 VanDerWaalsContact CB-O 3.26Å; P446-P515 WeakPolarHBondContact CB-O 3Å; P446-P515 WeakPolarHBondContact O-CG 3.35Å; P446-H557 HydrophobicContact CB-CB 3.57Å; P446-H557 VanDerWaalsContact CB-CG 3.49Å; P446-H557 HydrophobicContact CG-CB 3.84Å; P446-Y559 HydrophobicContact CG-CD1 4.36Å; P446-Y560 HydrophobicContact CG-CE1 4.27Å; P446-Y560 HydrophobicContact CG-CE2 4.18Å
447	F	78.2	Confident	68.5	Low	27 Å²	27	82.7 Å²	82.7	12%	0.118	41%	0.409	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.3	-6.7	-174.5	-31.4	-71.4	0	0	0	113.2	I428 A429 F445 H516 Y559 Y560 I594 T595	I428-F447 HydrophobicContact CB-CB 4.41Å; I428-F447 HydrophobicContact CB-CD1 3.74Å; I428-F447 HydrophobicContact CB-CE1 4.44Å; I428-F447 HydrophobicContact CB-CG 4.35Å; I428-F447 HydrophobicContact CG2-CD1 3.48Å; I428-F447 VanDerWaalsContact CG2-CD1 3.48Å; I428-F447 HydrophobicContact CG2-CE1 3.73Å; I428-F447 HydrophobicContact CG2-CG 4.47Å; A429-F447 HydrophobicContact CB-CD1 4.1Å; A429-F447 HydrophobicContact CB-CD2 3.43Å; A429-F447 VanDerWaalsContact CB-CD2 3.43Å; A429-F447 HydrophobicContact CB-CE1 3.93Å; A429-F447 HydrophobicContact CB-CE2 3.28Å; A429-F447 HydrophobicContact CB-CG 3.84Å; A429-F447 HydrophobicContact CB-CZ 3.55Å; F445-F447 HydrophobicContact CB-CD2 4.26Å; F445-F447 PolarHBondContact O-N 3.35Å; F447-H516 HydrophobicContact CD1-CB 3.84Å; F447-H516 HydrophobicContact CE1-CB 4.2Å; F447-Y559 HydrophobicContact CE2-CD1 4.01Å; F447-Y559 AromaticContact CE2-CE1 4Å; F447-Y559 HydrophobicContact CE2-CE1 4Å; F447-Y559 HydrophobicContact CZ-CD1 4.22Å; F447-Y559 HydrophobicContact CZ-CE1 4.39Å; F447-Y560 HydrophobicContact CE1-CE1 4.05Å; F447-Y560 AromaticContact CE1-CZ 3.94Å; F447-Y560 WeakPolarHBondContact CE1-OH 3.43Å; F447-Y560 AromaticContact CZ-CE1 3.74Å; F447-Y560 HydrophobicContact CZ-CE1 3.74Å; F447-I594 HydrophobicContact CE1-CG2 3.9Å; F447-I594 HydrophobicContact CE2-CG2 4.41Å; F447-I594 HydrophobicContact CZ-CG2 3.53Å; F447-T595 HydrophobicContact CE1-CG2 3.87Å
448	Y	72.3	Confident	67.4	Low	37 Å²	37	80.4 Å²	80.4	15%	0.145	40%	0.399	C	S	.	.	S	Bend	trans	-125.3	21.8	-167.9	-63.7	-90.2	0	0	0	113.1	I423 S426 L442 F445	I423-Y448 WeakPolarHBondContact CA-OH 3.36Å; I423-Y448 HydrophobicContact CG1-CE1 4.46Å; S426-Y448 WeakPolarHBondContact OG-CE1 3.39Å; S426-Y448 VanDerWaalsContact OG-CZ 3.24Å; S426-Y448 PolarHBondContact OG-OH 2.87Å; L442-Y448 HydrophobicContact CB-CD1 4.36Å; L442-Y448 HydrophobicContact CB-CG 4.22Å; L442-Y448 HydrophobicContact CD1-CD1 4.39Å; L442-Y448 HydrophobicContact CD2-CD1 3.94Å; L442-Y448 HydrophobicContact CD2-CE1 3.96Å; L442-Y448 HydrophobicContact CD2-CG 4.21Å; L442-Y448 HydrophobicContact CG-CD1 4.47Å; L442-Y448 VanDerWaalsContact O-CB 3.24Å; L442-Y448 WeakPolarHBondContact O-CB 3.18Å; F445-Y448 HydrophobicContact CB-CD2 3.72Å; F445-Y448 HydrophobicContact CB-CE2 4.31Å; F445-Y448 PolarHBondContact O-N 2.72Å
449	F	65.7	Low	66.1	Low	84 Å²	84	78.8 Å²	78.8	37%	0.368	39%	0.394	S	S	.	.			trans	-84.5	133.4	-177.3	-170.6	-113.2	0	0	0	111.6	P451 A452 P515	F449-P451 VanDerWaalsContact CE1-CA 3.41Å; F449-P451 HydrophobicContact CE1-CB 4.5Å; F449-A452 HydrophobicContact CE2-CB 4.32Å; F449-A452 HydrophobicContact CZ-CB 4.13Å; F449-P515 HydrophobicContact CB-CG 4.28Å
450	K	56.7	Low	64.6	Low	182 Å²	182	80.1 Å²	80.1	79%	0.791	40%	0.399	S	S	*	.			trans	-95.4	137.2	152.3	-84.6	-173.2	174.2	-174	0	107.1	A452	K450-A452 PolarHBondContact O-N 2.78Å
451	P	52.9	Low	63.4	Low	84 Å²	84	75.7 Å²	75.7	55%	0.545	38%	0.375	S	S	.	.			trans	-48.6	106	170	-24.1	33.1	0	0	0	110	F449 W513	F449-P451 VanDerWaalsContact CE1-CA 3.41Å; F449-P451 HydrophobicContact CE1-CB 4.5Å; P451-W513 HydrophobicContact CG-CZ3 4.43Å
452	A	50.5	Low	62	Low	47 Å²	47	72.6 Å²	72.6	39%	0.388	37%	0.369	S	S	.	.			trans	-77.4	135.8	172.2	0	0	0	0	0	108.4	F449 K450 S454 R512	F449-A452 HydrophobicContact CE2-CB 4.32Å; F449-A452 HydrophobicContact CZ-CB 4.13Å; K450-A452 PolarHBondContact O-N 2.78Å; A452-S454 PolarHBondContact O-N 3.18Å; A452-R512 PolarHBondContact O-NH2 2.76Å
453	E	50.7	Low	60.6	Low	200 Å²	200	72.5 Å²	72.5	94%	0.935	37%	0.372	S	S	*	.	S	Bend	trans	-61.9	-16.8	174.4	-71.2	175	163.9	0	0	112.8	A455	E453-A455 PolarHBondContact O-N 3.47Å
454	S	53.3	Low	59.1	Low	85 Å²	85	67.5 Å²	67.5	59%	0.594	36%	0.362	S	S	*	.			trans	-61.7	114.6	173.7	164.8	0	0	0	0	111.7	A452 R456	A452-S454 PolarHBondContact O-N 3.18Å; S454-R456 PolarHBondContact O-N 3.32Å
455	A	54.6	Low	57.6	Low	57 Å²	57	72.1 Å²	72.1	47%	0.471	38%	0.375	S	S	.	.			trans	-75.6	-12.3	-168.8	0	0	0	0	0	116.4	E453	E453-A455 PolarHBondContact O-N 3.47Å
456	R	58.7	Low	56.3	Low	161 Å²	161	77.7 Å²	77.7	61%	0.608	41%	0.412	S	S	*	.			trans	-113	135.5	-171.7	-59	-173.9	-177.4	168.2	3	112.9	S454 F483 D485	S454-R456 PolarHBondContact O-N 3.32Å; R456-F483 CarbonylContact C-O 3.33Å; R456-F483 WeakPolarHBondContact CA-O 3.39Å; R456-D485 HydrophobicContact CB-CB 4.07Å
457	L	58.6	Low	55.3	Low	45 Å²	45	83.6 Å²	83.6	24%	0.236	43%	0.434	C	S	.	.	B	Isolated β-bridge	trans	-111.8	157.9	178.3	-67.1	169.6	0	0	0	109.8	F483 I484 D485 V508 W511 R512	L457-F483 PolarHBondContact N-O 2.99Å; L457-I484 WeakPolarHBondContact O-CA 3.42Å; L457-D485 PolarHBondContact O-N 2.83Å; L457-V508 HydrophobicContact CD1-CG1 3.55Å; L457-W511 HydrophobicContact CD1-CE3 4.23Å; L457-W511 HydrophobicContact CD1-CZ3 4.09Å; L457-W511 HydrophobicContact CD2-CZ3 4.12Å; L457-R512 HydrophobicContact CD1-CG 3.86Å
458	T	54.8	Low	54.4	Low	60 Å²	60	90 Å²	90	37%	0.368	47%	0.469	S	S	.	.			trans	-107.3	122.8	-178	-78.7	0	0	0	0	107.3	N487 M488 S489 L490	T458-N487 WeakPolarHBondContact CA-O 3.36Å; T458-N487 WeakPolarHBondContact CB-O 3.31Å; T458-N487 VanDerWaalsContact CG2-O 3.25Å; T458-N487 WeakPolarHBondContact CG2-O 3.28Å; T458-N487 PolarHBondContact OG1-O 3.18Å; T458-M488 WeakPolarHBondContact CG2-O 3.03Å; T458-S489 WeakPolarHBondContact CG2-OG 3.49Å; T458-S489 CarbonylContact O-C 3.48Å; T458-L490 PolarHBondContact O-N 2.58Å
459	A	51.4	Low	53.7	Low	11 Å²	11	91.7 Å²	91.7	9%	0.091	50%	0.498	C	S	.	.			trans	-111.1	123.9	-173.3	0	0	0	0	0	116.3	I484 M488 S489 L490 L491	A459-I484 HydrophobicContact CB-CD1 4.01Å; A459-I484 HydrophobicContact CB-CG1 4.35Å; A459-I484 HydrophobicContact CB-CG2 3.91Å; A459-M488 CarbonylContact O-C 3.41Å; A459-M488 WeakPolarHBondContact O-CA 2.97Å; A459-M488 WeakPolarHBondContact O-CB 3.45Å; A459-S489 VanDerWaalsContact C-C 3.5Å; A459-S489 PolarHBondContact O-N 3.22Å; A459-L490 WeakPolarHBondContact CA-O 3.29Å; A459-L491 HydrophobicContact CB-CB 4.27Å
460	I	49.2	Very low	53.4	Low	47 Å²	47	96.5 Å²	96.5	24%	0.241	52%	0.519	C	S	.	.			trans	-106.8	113.5	-175.4	-65.1	-173.4	0	0	0	103.3	L462 L491	I460-L462 HydrophobicContact CG2-CG 4.12Å; I460-L462 PolarHBondContact O-N 2.89Å; I460-L491 CarbonylContact C-O 3.57Å; I460-L491 VanDerWaalsContact N-N 3.2Å; I460-L491 CarbonylContact O-C 3.6Å; I460-L491 WeakPolarHBondContact O-CA 3.42Å; I460-L491 PolarHBondContact O-N 2.76Å
461	I	52.2	Low	53.6	Low	42 Å²	42	90.7 Å²	90.7	22%	0.215	50%	0.498	C	S	.	.			trans	-94.7	104.4	172.4	-47.2	-177.9	0	0	0	109.1	C463 V475 L478 L491	I461-C463 PolarHBondContact O-N 2.96Å; I461-V475 HydrophobicContact CD1-CB 4.12Å; I461-V475 HydrophobicContact CD1-CG1 3.82Å; I461-V475 HydrophobicContact CD1-CG2 3.71Å; I461-V475 HydrophobicContact CG2-CG2 4.24Å; I461-L478 HydrophobicContact CD1-CD1 3.65Å; I461-L478 HydrophobicContact CG1-CD1 4.5Å; I461-L491 WeakPolarHBondContact CA-O 3.41Å
462	L	49.8	Very low	54	Low	84 Å²	84	88.7 Å²	88.7	44%	0.44	49%	0.485	S	S	.	.			trans	-82.2	106.6	170.8	-84.5	158	0	0	0	108.7	I460 E492	I460-L462 HydrophobicContact CG2-CG 4.12Å; I460-L462 PolarHBondContact O-N 2.89Å; L462-E492 HydrophobicContact CB-CG 4.22Å
463	C	47.6	Very low	54.5	Low	53 Å²	53	89.5 Å²	89.5	36%	0.358	49%	0.488	S	S	.	.			trans	-90.2	113.9	175	-64	0	0	0	0	110.2	I461 R465 W467	I461-C463 PolarHBondContact O-N 2.96Å; C463-R465 PolarHBondContact O-N 3.29Å; C463-W467 PolarHBondContact SG-NE1 2.96Å
464	S	47	Very low	55.1	Low	54 Å²	54	80.1 Å²	80.1	38%	0.378	44%	0.444	S	S	.	.	S	Bend	trans	-70.2	-7.3	178.4	60.5	0	0	0	0	114.6	R495	S464-R495 PolarHBondContact OG-NH2 2.68Å; S464-R495 VanDerWaalsContact OG-NH2 3.1Å
465	R	48.2	Very low	55.5	Low	150 Å²	150	77.4 Å²	77.4	57%	0.566	42%	0.424	S	S	*	.	S	Bend	trans	-137.8	145.5	174.6	-68.2	-173.2	-179.7	179.8	-1.1	110.2	C463	C463-R465 PolarHBondContact O-N 3.29Å
466	P	52	Low	56.1	Low	118 Å²	118	79.9 Å²	79.9	77%	0.766	43%	0.426	S	S	*	.			trans	-57.6	142.9	171.8	23.4	-31	0	0	0	110.3
467	W	57.9	Low	56.4	Low	128 Å²	128	74 Å²	74	49%	0.485	41%	0.407	S	S	.	.			trans	-70.9	128.9	177.2	-74.8	-8.9	0	0	0	110.5	C463 G469 V471 V475	C463-W467 PolarHBondContact SG-NE1 2.96Å; W467-G469 PolarHBondContact O-N 2.99Å; W467-V471 HydrophobicContact CE3-CG2 4.32Å; W467-V471 HydrophobicContact CH2-CG1 4.25Å; W467-V471 HydrophobicContact CH2-CG2 4.27Å; W467-V471 HydrophobicContact CZ3-CG2 3.89Å; W467-V475 HydrophobicContact CH2-CG1 4.43Å; W467-V475 HydrophobicContact CZ2-CG2 4.22Å
468	N	58	Low	56.7	Low	161 Å²	161	72 Å²	72	86%	0.861	40%	0.396	S	S	*	.			trans	-77.9	34.2	171.1	-65.6	-2.8	0	0	0	111.7	K470	N468-K470 VanDerWaalsContact C-N 3.35Å; N468-K470 PolarHBondContact O-N 2.92Å
469	G	57.7	Low	57.2	Low	73 Å²	73	72.4 Å²	72.4	75%	0.753	41%	0.412	S	S	*	.	S	Bend	trans	81.5	-6.8	-179.6	0	0	0	0	0	117	W467	W467-G469 PolarHBondContact O-N 2.99Å
470	K	59.6	Low	58.2	Low	185 Å²	185	78.1 Å²	78.1	80%	0.804	44%	0.435	S	S	*	.			trans	-106.1	122.7	171.6	-70	-173.1	178.5	-176.9	0	110.7	N468	N468-K470 VanDerWaalsContact C-N 3.35Å; N468-K470 PolarHBondContact O-N 2.92Å
471	V	60.5	Low	59.2	Low	59 Å²	59	76.1 Å²	76.1	36%	0.358	43%	0.425	S	S	.	.			trans	-63.6	128.6	171.1	178.8	0	0	0	0	107.7	W467 S473 V475 E476	W467-V471 HydrophobicContact CE3-CG2 4.32Å; W467-V471 HydrophobicContact CH2-CG1 4.25Å; W467-V471 HydrophobicContact CH2-CG2 4.27Å; W467-V471 HydrophobicContact CZ3-CG2 3.89Å; V471-S473 PolarHBondContact O-N 3.41Å; V471-V475 HydrophobicContact CG1-CB 3.57Å; V471-V475 HydrophobicContact CG1-CG1 3.68Å; V471-V475 HydrophobicContact CG1-CG2 4.38Å; V471-E476 HydrophobicContact CB-CG 4.46Å; V471-E476 HydrophobicContact CG1-CG 3.97Å
472	P	61.1	Low	60.1	Low	42 Å²	42	81.1 Å²	81.1	27%	0.273	45%	0.445	S	S	.	.			trans	-58.7	136.6	176.5	-20.9	30.4	0	0	0	110.1	L474 V475 E476	P472-L474 PolarHBondContact O-N 2.9Å; P472-V475 HydrophobicContact CB-CG2 4.09Å; P472-V475 HydrophobicContact CG-CG2 4.05Å; P472-V475 WeakPolarHBondContact O-CA 3.41Å; P472-V475 WeakPolarHBondContact O-CB 3.41Å; P472-V475 PolarHBondContact O-N 3.42Å; P472-E476 PolarHBondContact O-N 3.46Å
473	S	62.7	Low	60.8	Low	64 Å²	64	78 Å²	78	45%	0.448	43%	0.428	S	S	.	.	H	α-helix	trans	-49.9	-36.4	-177.2	58.1	0	0	0	0	113	V471 V475 E476 D477	V471-S473 PolarHBondContact O-N 3.41Å; S473-V475 VanDerWaalsContact C-N 3.33Å; S473-V475 PolarHBondContact O-N 2.92Å; S473-E476 WeakPolarHBondContact O-CB 3.44Å; S473-E476 PolarHBondContact O-N 2.92Å; S473-E476 VanDerWaalsContact O-N 3.15Å; S473-D477 PolarHBondContact O-N 2.04Å
474	L	61.4	Low	61.4	Low	3 Å²	3	77.1 Å²	77.1	2%	0.016	42%	0.42	C	S	.	.	H	α-helix	trans	-66.8	-32.1	178.2	-158.9	100	0	0	0	113.3	P472 E476 D477 L478 V493 L504	P472-L474 PolarHBondContact O-N 2.9Å; L474-E476 VanDerWaalsContact C-N 3.27Å; L474-E476 PolarHBondContact O-N 3.49Å; L474-D477 PolarHBondContact O-N 3.43Å; L474-L478 HydrophobicContact CD2-CD1 3.8Å; L474-L478 HydrophobicContact CD2-CG 4.26Å; L474-L478 HydrophobicContact CG-CD1 4.25Å; L474-L478 HydrophobicContact CG-CG 4.4Å; L474-L478 VanDerWaalsContact O-CB 3.29Å; L474-L478 WeakPolarHBondContact O-CB 3.26Å; L474-L478 VanDerWaalsContact O-CD1 3.25Å; L474-L478 WeakPolarHBondContact O-CD1 3.12Å; L474-L478 WeakPolarHBondContact O-CG 3.2Å; L474-L478 PolarHBondContact O-N 3.31Å; L474-V493 HydrophobicContact CB-CG1 3.81Å; L474-V493 HydrophobicContact CD2-CB 3.47Å; L474-V493 VanDerWaalsContact CD2-CB 3.47Å; L474-V493 HydrophobicContact CD2-CG1 3.14Å; L474-V493 HydrophobicContact CD2-CG2 2.97Å; L474-V493 HydrophobicContact CG-CG1 4.03Å; L474-V493 HydrophobicContact CG-CG2 4.4Å; L474-L504 HydrophobicContact CD1-CD2 4.18Å; L474-L504 HydrophobicContact CD2-CD2 4.26Å; L474-L504 HydrophobicContact CG-CD2 4.18Å
475	V	62.9	Low	61.8	Low	29 Å²	29	77.3 Å²	77.3	18%	0.176	42%	0.416	C	S	.	.	H	α-helix	trans	-63.8	-38.2	174.1	178.9	0	0	0	0	110.3	I461 W467 V471 P472 S473 G479	I461-V475 HydrophobicContact CD1-CB 4.12Å; I461-V475 HydrophobicContact CD1-CG1 3.82Å; I461-V475 HydrophobicContact CD1-CG2 3.71Å; I461-V475 HydrophobicContact CG2-CG2 4.24Å; W467-V475 HydrophobicContact CH2-CG1 4.43Å; W467-V475 HydrophobicContact CZ2-CG2 4.22Å; V471-V475 HydrophobicContact CG1-CB 3.57Å; V471-V475 HydrophobicContact CG1-CG1 3.68Å; V471-V475 HydrophobicContact CG1-CG2 4.38Å; P472-V475 HydrophobicContact CB-CG2 4.09Å; P472-V475 HydrophobicContact CG-CG2 4.05Å; P472-V475 WeakPolarHBondContact O-CA 3.41Å; P472-V475 WeakPolarHBondContact O-CB 3.41Å; P472-V475 PolarHBondContact O-N 3.42Å; S473-V475 VanDerWaalsContact C-N 3.33Å; S473-V475 PolarHBondContact O-N 2.92Å; V475-G479 PolarHBondContact O-N 3.46Å
476	E	66.3	Low	61.6	Low	108 Å²	108	79.8 Å²	79.8	51%	0.505	43%	0.431	S	S	.	.	H	α-helix	trans	-66.7	-43.1	173.6	-61.4	-178.5	171.9	0	0	111.6	V471 P472 S473 L474 L478 G479 K480	V471-E476 HydrophobicContact CB-CG 4.46Å; V471-E476 HydrophobicContact CG1-CG 3.97Å; P472-E476 PolarHBondContact O-N 3.46Å; S473-E476 WeakPolarHBondContact O-CB 3.44Å; S473-E476 PolarHBondContact O-N 2.92Å; S473-E476 VanDerWaalsContact O-N 3.15Å; L474-E476 VanDerWaalsContact C-N 3.27Å; L474-E476 PolarHBondContact O-N 3.49Å; E476-L478 VanDerWaalsContact C-N 3.33Å; E476-L478 PolarHBondContact O-N 3.09Å; E476-G479 PolarHBondContact O-N 3.33Å; E476-K480 WeakPolarHBondContact O-CG 3.49Å; E476-K480 PolarHBondContact O-N 3.2Å
477	D	66.2	Low	60.9	Low	38 Å²	38	79.7 Å²	79.7	20%	0.203	42%	0.424	C	S	.	.	H	α-helix	trans	-64.7	-39.4	177.3	-67.9	-27	0	0	0	111.3	S473 L474 G479 K480 S481 L501	S473-D477 PolarHBondContact O-N 2.04Å; L474-D477 PolarHBondContact O-N 3.43Å; D477-G479 VanDerWaalsContact C-N 3.32Å; D477-G479 PolarHBondContact O-N 3.47Å; D477-K480 WeakPolarHBondContact O-CA 3.33Å; D477-K480 WeakPolarHBondContact O-CB 3.48Å; D477-K480 PolarHBondContact O-N 3.3Å; D477-K480 IonicContact OD1-NZ 2.78Å; D477-S481 PolarHBondContact O-N 2.81Å; D477-L501 HydrophobicContact CB-CD1 4.34Å; D477-L501 WeakPolarHBondContact O-CD1 3.49Å
478	L	64.7	Low	59.8	Low	4 Å²	4	80.6 Å²	80.6	2%	0.021	44%	0.436	C	S	.	.	H	α-helix	trans	-61.2	-40.6	173.8	-76.6	161	0	0	0	112.8	I461 L474 E476 K480 S481 I484 L491 V493 L504	I461-L478 HydrophobicContact CD1-CD1 3.65Å; I461-L478 HydrophobicContact CG1-CD1 4.5Å; L474-L478 HydrophobicContact CD2-CD1 3.8Å; L474-L478 HydrophobicContact CD2-CG 4.26Å; L474-L478 HydrophobicContact CG-CD1 4.25Å; L474-L478 HydrophobicContact CG-CG 4.4Å; L474-L478 VanDerWaalsContact O-CB 3.29Å; L474-L478 WeakPolarHBondContact O-CB 3.26Å; L474-L478 VanDerWaalsContact O-CD1 3.25Å; L474-L478 WeakPolarHBondContact O-CD1 3.12Å; L474-L478 WeakPolarHBondContact O-CG 3.2Å; L474-L478 PolarHBondContact O-N 3.31Å; E476-L478 VanDerWaalsContact C-N 3.33Å; E476-L478 PolarHBondContact O-N 3.09Å; L478-K480 PolarHBondContact O-N 2.99Å; L478-K480 VanDerWaalsContact O-N 3.16Å; L478-S481 WeakPolarHBondContact O-CB 3.27Å; L478-S481 PolarHBondContact O-N 3.43Å; L478-I484 HydrophobicContact CB-CD1 4.01Å; L478-I484 HydrophobicContact CD2-CD1 3.24Å; L478-I484 HydrophobicContact CG-CD1 4.27Å; L478-L491 HydrophobicContact CD1-CD2 3.23Å; L478-L491 HydrophobicContact CD1-CG 4.29Å; L478-L491 HydrophobicContact CD2-CD2 3.03Å; L478-L491 HydrophobicContact CD2-CG 4.5Å; L478-L491 HydrophobicContact CG-CD2 3.68Å; L478-V493 HydrophobicContact CD1-CG2 4.28Å; L478-L504 HydrophobicContact CD2-CD1 4.16Å; L478-L504 HydrophobicContact CD2-CD2 3.22Å; L478-L504 HydrophobicContact CD2-CG 3.87Å; L478-L504 HydrophobicContact CG-CD2 3.56Å
479	G	65.3	Low	58.8	Low	67 Å²	67	74.3 Å²	74.3	69%	0.691	40%	0.404	S	S	*	.	H	α-helix	trans	-61.2	-19.4	173.8	0	0	0	0	0	113.5	V475 E476 D477	V475-G479 PolarHBondContact O-N 3.46Å; E476-G479 PolarHBondContact O-N 3.33Å; D477-G479 VanDerWaalsContact C-N 3.32Å; D477-G479 PolarHBondContact O-N 3.47Å
480	K	72.3	Confident	58.2	Low	131 Å²	131	72.6 Å²	72.6	57%	0.57	38%	0.377	S	S	*	.	H	α-helix	trans	-94.7	-11.3	176.2	-60.5	167.5	-167.1	160.8	0	113.3	E476 D477 L478 K482 L501	E476-K480 WeakPolarHBondContact O-CG 3.49Å; E476-K480 PolarHBondContact O-N 3.2Å; D477-K480 WeakPolarHBondContact O-CA 3.33Å; D477-K480 WeakPolarHBondContact O-CB 3.48Å; D477-K480 PolarHBondContact O-N 3.3Å; D477-K480 IonicContact OD1-NZ 2.78Å; L478-K480 PolarHBondContact O-N 2.99Å; L478-K480 VanDerWaalsContact O-N 3.16Å; K480-K482 PolarHBondContact O-N 2.79Å; K480-L501 HydrophobicContact CB-CD2 3.94Å
481	S	69.6	Low	57.6	Low	6 Å²	6	64 Å²	64	4%	0.042	34%	0.34	C	S	.	.			trans	-62.7	131.2	179.8	175.9	0	0	0	0	110.7	D477 L478 F483 I484 D505	D477-S481 PolarHBondContact O-N 2.81Å; L478-S481 WeakPolarHBondContact O-CB 3.27Å; L478-S481 PolarHBondContact O-N 3.43Å; S481-F483 PolarHBondContact O-N 3.46Å; S481-F483 VanDerWaalsContact O-N 3.09Å; S481-F483 PolarHBondContact OG-N 3.41Å; S481-I484 PolarHBondContact O-N 3.11Å; S481-D505 VanDerWaalsContact CB-OD1 3.26Å; S481-D505 WeakPolarHBondContact CB-OD1 3.42Å; S481-D505 PolarHBondContact OG-OD1 3.05Å
482	K	70.8	Confident	56.9	Low	146 Å²	146	62.7 Å²	62.7	64%	0.635	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-18	177	65.7	-174.4	178.9	-176.3	0	113.4	K480	K480-K482 PolarHBondContact O-N 2.79Å
483	F	64.7	Low	56.3	Low	19 Å²	19	61 Å²	61	8%	0.083	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.9	-12.9	-176.4	-60.9	-67.4	0	0	0	113.6	R456 L457 S481 D505 V508 E509	R456-F483 CarbonylContact C-O 3.33Å; R456-F483 WeakPolarHBondContact CA-O 3.39Å; L457-F483 PolarHBondContact N-O 2.99Å; S481-F483 PolarHBondContact O-N 3.46Å; S481-F483 VanDerWaalsContact O-N 3.09Å; S481-F483 PolarHBondContact OG-N 3.41Å; F483-D505 HydrophobicContact CD2-CB 4.23Å; F483-D505 HydrophobicContact CE2-CB 3.97Å; F483-V508 HydrophobicContact CB-CG1 3.79Å; F483-V508 HydrophobicContact CD2-CB 4.43Å; F483-V508 HydrophobicContact CD2-CG1 4.2Å; F483-V508 HydrophobicContact CG-CG1 4.09Å; F483-E509 HydrophobicContact CZ-CB 4.37Å
484	I	61.6	Low	55.4	Low	35 Å²	35	58.6 Å²	58.6	18%	0.179	30%	0.303	C	S	.	.	B	Isolated β-bridge	trans	-101.8	119.3	-172.4	-63.2	179.5	0	0	0	110.2	L457 A459 L478 S481	L457-I484 WeakPolarHBondContact O-CA 3.42Å; A459-I484 HydrophobicContact CB-CD1 4.01Å; A459-I484 HydrophobicContact CB-CG1 4.35Å; A459-I484 HydrophobicContact CB-CG2 3.91Å; L478-I484 HydrophobicContact CB-CD1 4.01Å; L478-I484 HydrophobicContact CD2-CD1 3.24Å; L478-I484 HydrophobicContact CG-CD1 4.27Å; S481-I484 PolarHBondContact O-N 3.11Å
485	D	55	Low	54.7	Low	58 Å²	58	62.8 Å²	62.8	31%	0.31	32%	0.319	S	S	.	.			trans	-76.2	150.4	169.8	-155.1	-0.6	0	0	0	110.3	R456 L457 N487	R456-D485 HydrophobicContact CB-CB 4.07Å; L457-D485 PolarHBondContact O-N 2.83Å; D485-N487 PolarHBondContact O-N 3.33Å
486	K	44.4	Very low	53.9	Low	202 Å²	202	68.9 Å²	68.9	88%	0.878	35%	0.35	S	S	*	.	S	Bend	trans	-60.8	-9.3	-176.9	-72.3	-177.2	176.7	-179.3	0	113.9
487	N	36.3	Very low	53.1	Low	116 Å²	116	64.3 Å²	64.3	62%	0.62	33%	0.331	S	S	*	.	S	Bend	trans	-99.1	115.7	177.6	-69.5	-36.4	0	0	0	110.6	T458 D485	T458-N487 WeakPolarHBondContact CA-O 3.36Å; T458-N487 WeakPolarHBondContact CB-O 3.31Å; T458-N487 VanDerWaalsContact CG2-O 3.25Å; T458-N487 WeakPolarHBondContact CG2-O 3.28Å; T458-N487 PolarHBondContact OG1-O 3.18Å; D485-N487 PolarHBondContact O-N 3.33Å
488	M	34.5	Very low	52.6	Low	147 Å²	147	65.4 Å²	65.4	72%	0.724	34%	0.342	S	S	*	.			trans	-60.9	128.6	-174.5	-79.6	154	49.5	0	0	113.8	T458 A459	T458-M488 WeakPolarHBondContact CG2-O 3.03Å; A459-M488 CarbonylContact O-C 3.41Å; A459-M488 WeakPolarHBondContact O-CA 2.97Å; A459-M488 WeakPolarHBondContact O-CB 3.45Å
489	S	37.6	Very low	52.5	Low	29 Å²	29	65.8 Å²	65.8	20%	0.203	34%	0.344	C	S	.	.			trans	171.6	54	140.5	51.5	0	0	0	0	126.7	T458 A459	T458-S489 WeakPolarHBondContact CG2-OG 3.49Å; T458-S489 CarbonylContact O-C 3.48Å; A459-S489 VanDerWaalsContact C-C 3.5Å; A459-S489 PolarHBondContact O-N 3.22Å
490	L	45.4	Very low	52.7	Low	36 Å²	36	65.3 Å²	65.3	19%	0.188	33%	0.329	C	S	.	.	S	Bend		-160.6	112.9	126.8	-92.1	145.1	0	0	0	118	T458 A459 F556 R558	T458-L490 PolarHBondContact O-N 2.58Å; A459-L490 WeakPolarHBondContact CA-O 3.29Å; L490-F556 HydrophobicContact CD2-CD2 3.93Å; L490-F556 HydrophobicContact CD2-CE2 3.96Å; L490-F556 HydrophobicContact CD2-CG 4.48Å; L490-F556 WeakPolarHBondContact CD2-O 3.35Å; L490-R558 HydrophobicContact CD1-CB 3.55Å; L490-R558 VanDerWaalsContact CD2-CA 3.45Å; L490-R558 HydrophobicContact CD2-CB 3.89Å; L490-R558 HydrophobicContact CG-CB 3.72Å
491	L	45.6	Very low	52.6	Low	4 Å²	4	61.4 Å²	61.4	2%	0.021	31%	0.314	C	S	.	.			trans	-177.9	107.2	158.3	180	62.1	0	0	0	112.5	A459 I460 I461 L478 V493 L504 L555	A459-L491 HydrophobicContact CB-CB 4.27Å; I460-L491 CarbonylContact C-O 3.57Å; I460-L491 VanDerWaalsContact N-N 3.2Å; I460-L491 CarbonylContact O-C 3.6Å; I460-L491 WeakPolarHBondContact O-CA 3.42Å; I460-L491 PolarHBondContact O-N 2.76Å; I461-L491 WeakPolarHBondContact CA-O 3.41Å; L478-L491 HydrophobicContact CD1-CD2 3.23Å; L478-L491 HydrophobicContact CD1-CG 4.29Å; L478-L491 HydrophobicContact CD2-CD2 3.03Å; L478-L491 HydrophobicContact CD2-CG 4.5Å; L478-L491 HydrophobicContact CG-CD2 3.68Å; L491-V493 HydrophobicContact CD1-CG2 4.04Å; L491-V493 HydrophobicContact CD2-CG2 3.74Å; L491-V493 HydrophobicContact CG-CG2 3.57Å; L491-V493 PolarHBondContact O-N 3.47Å; L491-L504 HydrophobicContact CD2-CD1 4.23Å; L491-L555 HydrophobicContact CD1-CD1 4.42Å; L491-L555 HydrophobicContact CD1-CD2 4.42Å; L491-L555 HydrophobicContact CD1-CG 3.74Å
492	E	47.1	Very low	53	Low	32 Å²	32	64.6 Å²	64.6	15%	0.15	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	118.6	172.2	-169.5	174.3	179.6	0	0	111	L462 A553 I554 F556 W583	L462-E492 HydrophobicContact CB-CG 4.22Å; E492-A553 WeakPolarHBondContact O-CA 3.35Å; E492-I554 PolarHBondContact O-N 3.32Å; E492-F556 HydrophobicContact CB-CE1 4.05Å; E492-W583 VanDerWaalsContact CD-CD1 3.45Å; E492-W583 VanDerWaalsContact OE1-CD1 3.28Å; E492-W583 PolarHBondContact OE2-NE1 3.09Å
493	V	47.4	Very low	53.3	Low	6 Å²	6	58.1 Å²	58.1	4%	0.036	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	119	173.2	179.1	0	0	0	0	109.6	L474 L478 L491 N552 A553	L474-V493 HydrophobicContact CB-CG1 3.81Å; L474-V493 HydrophobicContact CD2-CB 3.47Å; L474-V493 VanDerWaalsContact CD2-CB 3.47Å; L474-V493 HydrophobicContact CD2-CG1 3.14Å; L474-V493 HydrophobicContact CD2-CG2 2.97Å; L474-V493 HydrophobicContact CG-CG1 4.03Å; L474-V493 HydrophobicContact CG-CG2 4.4Å; L478-V493 HydrophobicContact CD1-CG2 4.28Å; L491-V493 HydrophobicContact CD1-CG2 4.04Å; L491-V493 HydrophobicContact CD2-CG2 3.74Å; L491-V493 HydrophobicContact CG-CG2 3.57Å; L491-V493 PolarHBondContact O-N 3.47Å; V493-N552 CarbonylContact C-O 3.37Å; V493-N552 WeakPolarHBondContact CA-O 3.41Å; V493-A553 HydrophobicContact CG1-CB 4.45Å; V493-A553 HydrophobicContact CG2-CB 3.97Å
494	A	45.5	Very low	53.8	Low	14 Å²	14	57.2 Å²	57.2	12%	0.116	30%	0.302	C	S	.	.			trans	-115.9	145.7	178	0	0	0	0	0	112.2	N552	A494-N552 HydrophobicContact CB-CB 4.36Å; A494-N552 WeakPolarHBondContact CB-OD1 3.36Å; A494-N552 PolarHBondContact N-O 3.47Å; A494-N552 WeakPolarHBondContact O-CB 3.44Å; A494-N552 PolarHBondContact O-ND2 3.19Å; A494-N552 VanDerWaalsContact O-ND2 3.09Å; A494-N552 PolarHBondContact O-OD1 3.34Å
495	R	45.5	Very low	54.6	Low	91 Å²	91	56.9 Å²	56.9	34%	0.343	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	40.8	84.6	155.7	-54.1	-179.1	-155.1	160.7	15.1	118.4	S464 N552 D581	S464-R495 PolarHBondContact OG-NH2 2.68Å; S464-R495 VanDerWaalsContact OG-NH2 3.1Å; R495-N552 PolarHBondContact O-ND2 3.17Å; R495-D581 IonicContact CZ-OD1 3.23Å; R495-D581 IonicContact NH1-OD1 3.69Å; R495-D581 PolarHBondContact NH1-OD1 2.81Å; R495-D581 IonicContact NH2-OD1 3.54Å; R495-D581 PolarHBondContact NH2-OD1 2.94Å
496	N	46	Very low	55.9	Low	157 Å²	157	56.2 Å²	56.2	84%	0.84	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.8	18.8	163.6	-71.2	2.7	0	0	0	119.1	S498	N496-S498 PolarHBondContact O-N 2.82Å
497	A	50.7	Low	57.7	Low	13 Å²	13	46.6 Å²	46.6	11%	0.107	25%	0.252	C	S	.	.			trans	-71.3	99	168.9	0	0	0	0	0	110.3	T499	A497-T499 PolarHBondContact O-N 3.23Å
498	S	55.3	Low	59.7	Low	61 Å²	61	41.5 Å²	41.5	43%	0.427	23%	0.226	S	C	.	.			trans	-75	56.6	161.1	39.7	0	0	0	0	109.7	N496 P500 S611	N496-S498 PolarHBondContact O-N 2.82Å; S498-P500 VanDerWaalsContact O-CD 3.31Å; S498-P500 WeakPolarHBondContact O-CD 3.5Å; S498-S611 PolarHBondContact OG-OG 3.3Å
499	T	62.1	Low	61.9	Low	11 Å²	11	38.4 Å²	38.4	7%	0.067	21%	0.209	C	C	.	.			trans	-75.7	116.9	173.2	-53.2	0	0	0	0	107.2	A497 L501 T503 F521	A497-T499 PolarHBondContact O-N 3.23Å; T499-L501 PolarHBondContact O-N 2.9Å; T499-T503 HydrophobicContact CG2-CG2 3.65Å; T499-F521 HydrophobicContact CG2-CD1 4.17Å; T499-F521 HydrophobicContact CG2-CE1 3.97Å; T499-F521 HydrophobicContact CG2-CE2 4.44Å; T499-F521 HydrophobicContact CG2-CG 4.49Å; T499-F521 HydrophobicContact CG2-CZ 4.1Å
500	P	69.3	Low	64.1	Low	58 Å²	58	38 Å²	38	38%	0.377	21%	0.205	S	C	.	.			trans	-55.8	141.3	179.7	-24.2	34.4	0	0	0	111	S498 V502 T503 L504 A608	S498-P500 VanDerWaalsContact O-CD 3.31Å; S498-P500 WeakPolarHBondContact O-CD 3.5Å; P500-V502 PolarHBondContact O-N 3.11Å; P500-V502 VanDerWaalsContact O-N 3.1Å; P500-T503 WeakPolarHBondContact O-CA 3.14Å; P500-T503 WeakPolarHBondContact O-CB 3.33Å; P500-T503 PolarHBondContact O-N 2.93Å; P500-L504 PolarHBondContact O-N 2.82Å; P500-L504 VanDerWaalsContact O-N 3.15Å; P500-A608 HydrophobicContact CG-CB 4.43Å
501	L	71.1	Confident	66	Low	49 Å²	49	37.6 Å²	37.6	26%	0.257	20%	0.201	S	C	.	.	H	α-helix	trans	-50	-39.6	179.4	179.2	56.4	0	0	0	112.7	D477 K480 T499 T503 L504 D505	D477-L501 HydrophobicContact CB-CD1 4.34Å; D477-L501 WeakPolarHBondContact O-CD1 3.49Å; K480-L501 HydrophobicContact CB-CD2 3.94Å; T499-L501 PolarHBondContact O-N 2.9Å; L501-T503 VanDerWaalsContact C-N 3.33Å; L501-T503 PolarHBondContact O-N 2.51Å; L501-L504 WeakPolarHBondContact O-CB 3.06Å; L501-L504 PolarHBondContact O-N 3.49Å; L501-L504 VanDerWaalsContact O-N 3.14Å; L501-D505 PolarHBondContact O-N 3.46Å
502	V	76.8	Confident	67.6	Low	73 Å²	73	40.1 Å²	40.1	44%	0.442	21%	0.21	S	C	.	.	H	α-helix	trans	-56.3	-45.8	175.1	174.3	0	0	0	0	112.3	P500 L504 D505 Y506 V651 L653	P500-V502 PolarHBondContact O-N 3.11Å; P500-V502 VanDerWaalsContact O-N 3.1Å; V502-L504 VanDerWaalsContact C-N 3.27Å; V502-L504 PolarHBondContact O-N 3.28Å; V502-D505 PolarHBondContact O-N 3.43Å; V502-Y506 PolarHBondContact O-N 3.07Å; V502-V651 HydrophobicContact CG1-CG1 4.16Å; V502-L653 HydrophobicContact CG1-CD2 3.37Å; V502-L653 HydrophobicContact CG1-CG 4.11Å; V502-L653 HydrophobicContact CG2-CD2 4.42Å
503	T	77.1	Confident	69.2	Low	9 Å²	9	46.4 Å²	46.4	6%	0.055	23%	0.232	C	C	.	.	H	α-helix	trans	-66.6	-34.4	179.6	-60.2	0	0	0	0	111.4	T499 P500 L501 A507 F521 V602 A604 V651	T499-T503 HydrophobicContact CG2-CG2 3.65Å; P500-T503 WeakPolarHBondContact O-CA 3.14Å; P500-T503 WeakPolarHBondContact O-CB 3.33Å; P500-T503 PolarHBondContact O-N 2.93Å; L501-T503 VanDerWaalsContact C-N 3.33Å; L501-T503 PolarHBondContact O-N 2.51Å; T503-A507 WeakPolarHBondContact O-CB 3.41Å; T503-A507 PolarHBondContact O-N 2.66Å; T503-F521 HydrophobicContact CG2-CD1 3.87Å; T503-F521 HydrophobicContact CG2-CE1 3.54Å; T503-V602 HydrophobicContact CG2-CG1 4.2Å; T503-A604 HydrophobicContact CG2-CB 4.05Å; T503-V651 HydrophobicContact CG2-CG2 3.66Å
504	L	75.3	Confident	70.8	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-71.4	-45	177.3	-173.4	58.9	0	0	0	111.9	L474 L478 L491 P500 L501 V502 Y506 A507 V508 F521	L474-L504 HydrophobicContact CD1-CD2 4.18Å; L474-L504 HydrophobicContact CD2-CD2 4.26Å; L474-L504 HydrophobicContact CG-CD2 4.18Å; L478-L504 HydrophobicContact CD2-CD1 4.16Å; L478-L504 HydrophobicContact CD2-CD2 3.22Å; L478-L504 HydrophobicContact CD2-CG 3.87Å; L478-L504 HydrophobicContact CG-CD2 3.56Å; L491-L504 HydrophobicContact CD2-CD1 4.23Å; P500-L504 PolarHBondContact O-N 2.82Å; P500-L504 VanDerWaalsContact O-N 3.15Å; L501-L504 WeakPolarHBondContact O-CB 3.06Å; L501-L504 PolarHBondContact O-N 3.49Å; L501-L504 VanDerWaalsContact O-N 3.14Å; V502-L504 VanDerWaalsContact C-N 3.27Å; V502-L504 PolarHBondContact O-N 3.28Å; L504-Y506 VanDerWaalsContact C-N 3.33Å; L504-Y506 PolarHBondContact O-N 3.19Å; L504-A507 PolarHBondContact O-N 2.57Å; L504-A507 VanDerWaalsContact O-N 3.15Å; L504-V508 WeakPolarHBondContact O-CG2 3.45Å; L504-V508 PolarHBondContact O-N 3.41Å; L504-F521 HydrophobicContact CD1-CZ 4.41Å
505	D	77.9	Confident	72.7	Confident	28 Å²	28	47.6 Å²	47.6	15%	0.15	24%	0.238	C	C	.	.	H	α-helix	trans	-57.9	-45.4	174.8	-86.4	1.1	0	0	0	111.3	S481 F483 L501 V502 A507 V508 E509	S481-D505 VanDerWaalsContact CB-OD1 3.26Å; S481-D505 WeakPolarHBondContact CB-OD1 3.42Å; S481-D505 PolarHBondContact OG-OD1 3.05Å; F483-D505 HydrophobicContact CD2-CB 4.23Å; F483-D505 HydrophobicContact CE2-CB 3.97Å; L501-D505 PolarHBondContact O-N 3.46Å; V502-D505 PolarHBondContact O-N 3.43Å; D505-A507 PolarHBondContact O-N 3.38Å; D505-V508 PolarHBondContact O-N 3.37Å; D505-E509 PolarHBondContact O-N 3.3Å
506	Y	82.9	Confident	74.5	Confident	44 Å²	44	44.3 Å²	44.3	17%	0.173	23%	0.227	C	C	.	.	H	α-helix	trans	-60.5	-44.3	174.2	179	-92.6	0	0	0	112.1	V502 L504 V508 E509 L510 V602 H649 V651	V502-Y506 PolarHBondContact O-N 3.07Å; L504-Y506 VanDerWaalsContact C-N 3.33Å; L504-Y506 PolarHBondContact O-N 3.19Å; Y506-V508 VanDerWaalsContact C-N 3.32Å; Y506-V508 PolarHBondContact O-N 2.89Å; Y506-E509 PolarHBondContact O-N 3Å; Y506-L510 HydrophobicContact CE1-CD2 4.22Å; Y506-L510 WeakPolarHBondContact O-CB 3.03Å; Y506-L510 PolarHBondContact O-N 3.38Å; Y506-V602 HydrophobicContact CD1-CG1 4.05Å; Y506-V602 HydrophobicContact CE1-CG1 4.35Å; Y506-H649 HydrophobicContact CE1-CB 3.94Å; Y506-V651 HydrophobicContact CD1-CG2 4.16Å; Y506-V651 HydrophobicContact CG-CG1 4.31Å
507	A	82	Confident	76.5	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-64.1	-37.5	178.6	0	0	0	0	0	112.3	T503 L504 D505 W511 I519 F521 L555 V602	T503-A507 WeakPolarHBondContact O-CB 3.41Å; T503-A507 PolarHBondContact O-N 2.66Å; L504-A507 PolarHBondContact O-N 2.57Å; L504-A507 VanDerWaalsContact O-N 3.15Å; D505-A507 PolarHBondContact O-N 3.38Å; A507-W511 VanDerWaalsContact O-CB 3.29Å; A507-W511 WeakPolarHBondContact O-CB 3.41Å; A507-W511 PolarHBondContact O-N 2.9Å; A507-I519 HydrophobicContact CB-CG2 4.18Å; A507-F521 HydrophobicContact CB-CE1 3.84Å; A507-F521 HydrophobicContact CB-CZ 3.59Å; A507-L555 HydrophobicContact CB-CD1 3.87Å; A507-L555 HydrophobicContact CB-CD2 4.26Å; A507-V602 HydrophobicContact CB-CG2 4.3Å
508	V	79.4	Confident	78.3	Confident	10 Å²	10	39.2 Å²	39.2	6%	0.061	19%	0.193	C	C	.	.	H	α-helix	trans	-65.3	-43.3	174.2	171.9	0	0	0	0	110.8	L457 F483 L504 D505 Y506 W511 R512 L555	L457-V508 HydrophobicContact CD1-CG1 3.55Å; F483-V508 HydrophobicContact CB-CG1 3.79Å; F483-V508 HydrophobicContact CD2-CB 4.43Å; F483-V508 HydrophobicContact CD2-CG1 4.2Å; F483-V508 HydrophobicContact CG-CG1 4.09Å; L504-V508 WeakPolarHBondContact O-CG2 3.45Å; L504-V508 PolarHBondContact O-N 3.41Å; D505-V508 PolarHBondContact O-N 3.37Å; Y506-V508 VanDerWaalsContact C-N 3.32Å; Y506-V508 PolarHBondContact O-N 2.89Å; V508-W511 WeakPolarHBondContact O-CB 3.45Å; V508-W511 PolarHBondContact O-N 2.77Å; V508-R512 WeakPolarHBondContact O-CG 3.25Å; V508-R512 PolarHBondContact O-N 2.82Å; V508-R512 VanDerWaalsContact O-N 3.15Å; V508-L555 HydrophobicContact CB-CD2 4.38Å; V508-L555 HydrophobicContact CG2-CD2 3.65Å
509	E	80.9	Confident	79.9	Confident	81 Å²	81	36.3 Å²	36.3	38%	0.379	17%	0.173	S	C	.	.	H	α-helix	trans	-62.2	-48	176.1	-175.1	172	-179.9	0	0	111.9	F483 D505 Y506 W511 R512 W513	F483-E509 HydrophobicContact CZ-CB 4.37Å; D505-E509 PolarHBondContact O-N 3.3Å; Y506-E509 PolarHBondContact O-N 3Å; E509-W511 VanDerWaalsContact C-N 3.27Å; E509-W511 PolarHBondContact O-N 2.89Å; E509-R512 WeakPolarHBondContact O-CB 3.5Å; E509-R512 PolarHBondContact O-N 3.43Å; E509-R512 VanDerWaalsContact O-N 3.14Å; E509-W513 VanDerWaalsContact O-CD1 3.3Å
510	L	83.8	Confident	81	Confident	21 Å²	21	35.8 Å²	35.8	11%	0.11	17%	0.17	C	C	.	.	H	α-helix	trans	-58.6	-40.9	174.7	-176.5	60.8	0	0	0	111.3	Y506 R512 W513 V514 I519 V600 V602 H649	Y506-L510 HydrophobicContact CE1-CD2 4.22Å; Y506-L510 WeakPolarHBondContact O-CB 3.03Å; Y506-L510 PolarHBondContact O-N 3.38Å; L510-R512 VanDerWaalsContact C-N 3.28Å; L510-R512 PolarHBondContact O-N 3.02Å; L510-W513 WeakPolarHBondContact O-CB 3.23Å; L510-W513 PolarHBondContact O-N 2.64Å; L510-W513 VanDerWaalsContact O-N 3.1Å; L510-V514 WeakPolarHBondContact O-CG2 3.44Å; L510-V514 PolarHBondContact O-N 3.13Å; L510-I519 HydrophobicContact CB-CD1 3.9Å; L510-I519 HydrophobicContact CD2-CD1 3.92Å; L510-I519 HydrophobicContact CG-CD1 3.62Å; L510-V600 HydrophobicContact CD2-CG1 3.95Å; L510-V602 HydrophobicContact CD2-CG2 3.94Å; L510-H649 HydrophobicContact CD2-CB 3.77Å
511	W	83.7	Confident	81.6	Confident	28 Å²	28	34.2 Å²	34.2	11%	0.106	16%	0.157	C	C	.	.	H	α-helix	trans	-61.8	-34.4	178.6	-178.7	81.1	0	0	0	112.6	L457 A507 V508 E509 W513 V514 P515 I519 L555 H557	L457-W511 HydrophobicContact CD1-CE3 4.23Å; L457-W511 HydrophobicContact CD1-CZ3 4.09Å; L457-W511 HydrophobicContact CD2-CZ3 4.12Å; A507-W511 VanDerWaalsContact O-CB 3.29Å; A507-W511 WeakPolarHBondContact O-CB 3.41Å; A507-W511 PolarHBondContact O-N 2.9Å; V508-W511 WeakPolarHBondContact O-CB 3.45Å; V508-W511 PolarHBondContact O-N 2.77Å; E509-W511 VanDerWaalsContact C-N 3.27Å; E509-W511 PolarHBondContact O-N 2.89Å; W511-W513 PolarHBondContact O-N 2.78Å; W511-V514 CarbonylContact O-C 3.53Å; W511-V514 VanDerWaalsContact O-C 3.23Å; W511-V514 PolarHBondContact O-N 3.4Å; W511-P515 HydrophobicContact CZ2-CB 4.15Å; W511-P515 VanDerWaalsContact O-CA 3.29Å; W511-P515 WeakPolarHBondContact O-CA 3.17Å; W511-P515 WeakPolarHBondContact O-CD 3.5Å; W511-I519 HydrophobicContact CB-CD1 3.7Å; W511-I519 HydrophobicContact CB-CG1 4.37Å; W511-I519 HydrophobicContact CG-CD1 4.5Å; W511-I519 VanDerWaalsContact N-CD1 3.29Å; W511-L555 HydrophobicContact CB-CD2 4.41Å; W511-L555 HydrophobicContact CG-CB 4.32Å; W511-H557 HydrophobicContact CZ2-CB 3.98Å; W511-H557 AromaticContact CZ2-CD2 3.97Å
512	R	79	Confident	82.2	Confident	57 Å²	57	35 Å²	35	22%	0.215	16%	0.162	C	C	.	.	H	α-helix	trans	-62.2	-29.3	175.7	-68.6	174.3	71.1	-172.2	1.8	113	A452 L457 V508 E509 L510	A452-R512 PolarHBondContact O-NH2 2.76Å; L457-R512 HydrophobicContact CD1-CG 3.86Å; V508-R512 WeakPolarHBondContact O-CG 3.25Å; V508-R512 PolarHBondContact O-N 2.82Å; V508-R512 VanDerWaalsContact O-N 3.15Å; E509-R512 WeakPolarHBondContact O-CB 3.5Å; E509-R512 PolarHBondContact O-N 3.43Å; E509-R512 VanDerWaalsContact O-N 3.14Å; L510-R512 VanDerWaalsContact C-N 3.28Å; L510-R512 PolarHBondContact O-N 3.02Å
513	W	80.8	Confident	82.7	Confident	164 Å²	164	31.7 Å²	31.7	62%	0.621	14%	0.142	S	C	*	.	H	α-helix	trans	-81.4	-31.2	177	-70.4	104.8	0	0	0	113	P451 E509 L510 W511 P515	P451-W513 HydrophobicContact CG-CZ3 4.43Å; E509-W513 VanDerWaalsContact O-CD1 3.3Å; L510-W513 WeakPolarHBondContact O-CB 3.23Å; L510-W513 PolarHBondContact O-N 2.64Å; L510-W513 VanDerWaalsContact O-N 3.1Å; W511-W513 PolarHBondContact O-N 2.78Å; W513-P515 VanDerWaalsContact C-CD 3.41Å
514	V	82.6	Confident	83.3	Confident	32 Å²	32	31.8 Å²	31.8	19%	0.194	14%	0.142	C	C	.	.			trans	-128.3	57.5	-179.6	-66.8	0	0	0	0	113	L510 W511 H516 R517 I519	L510-V514 WeakPolarHBondContact O-CG2 3.44Å; L510-V514 PolarHBondContact O-N 3.13Å; W511-V514 CarbonylContact O-C 3.53Å; W511-V514 VanDerWaalsContact O-C 3.23Å; W511-V514 PolarHBondContact O-N 3.4Å; V514-H516 PolarHBondContact O-N 2.75Å; V514-R517 HydrophobicContact CB-CB 4.41Å; V514-R517 HydrophobicContact CB-CG 4.25Å; V514-R517 HydrophobicContact CG2-CB 4.4Å; V514-R517 PolarHBondContact O-N 3.03Å; V514-I519 HydrophobicContact CG2-CD1 4.06Å
515	P	83.9	Confident	83.9	Confident	13 Å²	13	32 Å²	32	8%	0.084	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-16.7	-173.3	22.7	-32.8	0	0	0	113.8	P446 F449 W511 W513	P446-P515 HydrophobicContact CB-CB 4.35Å; P446-P515 VanDerWaalsContact CB-O 3.26Å; P446-P515 WeakPolarHBondContact CB-O 3Å; P446-P515 WeakPolarHBondContact O-CG 3.35Å; F449-P515 HydrophobicContact CB-CG 4.28Å; W511-P515 HydrophobicContact CZ2-CB 4.15Å; W511-P515 VanDerWaalsContact O-CA 3.29Å; W511-P515 WeakPolarHBondContact O-CA 3.17Å; W511-P515 WeakPolarHBondContact O-CD 3.5Å; W513-P515 VanDerWaalsContact C-CD 3.41Å
516	H	83.2	Confident	84.4	Confident	21 Å²	21	30.9 Å²	30.9	10%	0.097	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77	-17.3	174.1	64.4	-89.7	0	0	0	114	I428 F447 V514 Y560 V591 T595	I428-H516 HydrophobicContact CD1-CB 3.61Å; I428-H516 WeakPolarHBondContact CD1-CD2 3.23Å; I428-H516 HydrophobicContact CG2-CB 4.34Å; F447-H516 HydrophobicContact CD1-CB 3.84Å; F447-H516 HydrophobicContact CE1-CB 4.2Å; V514-H516 PolarHBondContact O-N 2.75Å; H516-Y560 WeakPolarHBondContact CA-OH 3.5Å; H516-Y560 PolarHBondContact O-OH 2.84Å; H516-V591 WeakPolarHBondContact O-CG1 3.3Å; H516-T595 HydrophobicContact CB-CG2 4.36Å; H516-T595 VanDerWaalsContact O-CG2 3.3Å; H516-T595 WeakPolarHBondContact O-CG2 3.35Å
517	R	87.8	Confident	84.6	Confident	62 Å²	62	32.7 Å²	32.7	23%	0.234	15%	0.146	C	C	.	.	S	Bend	trans	-98.8	160.3	179.9	-58.3	-169.3	176.9	-165.2	-2.7	111.2	V514 A598 V600	V514-R517 HydrophobicContact CB-CB 4.41Å; V514-R517 HydrophobicContact CB-CG 4.25Å; V514-R517 HydrophobicContact CG2-CB 4.4Å; V514-R517 PolarHBondContact O-N 3.03Å; R517-A598 WeakPolarHBondContact CD-O 3.16Å; R517-V600 HydrophobicContact CB-CG2 4.1Å; R517-V600 HydrophobicContact CG-CG2 4.46Å
518	L	88.7	Confident	84.6	Confident	2 Å²	2	36.2 Å²	36.2	1%	0.01	16%	0.16	C	C	.	.			trans	-82.7	138.1	165.1	-58.2	179.8	0	0	0	109	L549 I554 F556 L587 N588 V591 A599 V600	L518-L549 HydrophobicContact CB-CD1 3.72Å; L518-I554 HydrophobicContact CB-CG2 4.08Å; L518-I554 HydrophobicContact CD2-CG2 4.18Å; L518-F556 HydrophobicContact CD2-CB 3.35Å; L518-F556 HydrophobicContact CD2-CG 4.32Å; L518-L587 HydrophobicContact CD1-CD2 4.32Å; L518-L587 HydrophobicContact CD1-CG 3.98Å; L518-L587 HydrophobicContact CD2-CD1 4.25Å; L518-L587 HydrophobicContact CD2-CD2 3.76Å; L518-L587 HydrophobicContact CD2-CG 3.76Å; L518-N588 VanDerWaalsContact CD1-CA 3.5Å; L518-N588 HydrophobicContact CD1-CB 4.19Å; L518-V591 HydrophobicContact CD1-CB 4.14Å; L518-V591 HydrophobicContact CD1-CG2 4.3Å; L518-V591 HydrophobicContact CD2-CB 4.23Å; L518-V591 HydrophobicContact CD2-CG1 4.31Å; L518-V591 HydrophobicContact CD2-CG2 3.73Å; L518-V591 HydrophobicContact CG-CB 3.97Å; L518-V591 HydrophobicContact CG-CG1 3.95Å; L518-V591 HydrophobicContact CG-CG2 4.04Å; L518-A599 HydrophobicContact CB-CB 4.03Å; L518-V600 PolarHBondContact O-N 3.31Å
519	I	88.5	Confident	84.7	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	130.3	171.5	-54.3	-161.9	0	0	0	108.7	A507 L510 W511 V514 I554 L555 V600 V602	A507-I519 HydrophobicContact CB-CG2 4.18Å; L510-I519 HydrophobicContact CB-CD1 3.9Å; L510-I519 HydrophobicContact CD2-CD1 3.92Å; L510-I519 HydrophobicContact CG-CD1 3.62Å; W511-I519 HydrophobicContact CB-CD1 3.7Å; W511-I519 HydrophobicContact CB-CG1 4.37Å; W511-I519 HydrophobicContact CG-CD1 4.5Å; W511-I519 VanDerWaalsContact N-CD1 3.29Å; V514-I519 HydrophobicContact CG2-CD1 4.06Å; I519-I554 CarbonylContact O-C 3.51Å; I519-I554 WeakPolarHBondContact O-CA 3.44Å; I519-L555 HydrophobicContact CB-CB 4.22Å; I519-L555 HydrophobicContact CB-CD1 4.24Å; I519-L555 HydrophobicContact CG2-CD1 4.22Å; I519-L555 PolarHBondContact N-O 3.18Å; I519-L555 PolarHBondContact O-N 3.3Å; I519-V600 WeakPolarHBondContact CA-O 3.28Å; I519-V600 HydrophobicContact CG1-CB 4.31Å; I519-V602 HydrophobicContact CG2-CG2 3.5Å
520	G	85.2	Confident	84.6	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	178.5	-179.9	0	0	0	0	0	112.2	L549 V600 V602	G520-L549 VanDerWaalsContact N-CD1 3.29Å; G520-V600 PolarHBondContact N-O 3.27Å; G520-V600 VanDerWaalsContact N-O 3.11Å; G520-V602 PolarHBondContact O-N 2.82Å
521	F	82.5	Confident	84.5	Confident	24 Å²	24	45.7 Å²	45.7	11%	0.105	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	-12.9	-170	-52.5	-80.9	0	0	0	113.4	T499 T503 L504 A507 A553 L555 V602	T499-F521 HydrophobicContact CG2-CD1 4.17Å; T499-F521 HydrophobicContact CG2-CE1 3.97Å; T499-F521 HydrophobicContact CG2-CE2 4.44Å; T499-F521 HydrophobicContact CG2-CG 4.49Å; T499-F521 HydrophobicContact CG2-CZ 4.1Å; T503-F521 HydrophobicContact CG2-CD1 3.87Å; T503-F521 HydrophobicContact CG2-CE1 3.54Å; L504-F521 HydrophobicContact CD1-CZ 4.41Å; A507-F521 HydrophobicContact CB-CE1 3.84Å; A507-F521 HydrophobicContact CB-CZ 3.59Å; F521-A553 HydrophobicContact CD2-CB 3.79Å; F521-A553 WeakPolarHBondContact CD2-O 3.27Å; F521-A553 HydrophobicContact CE2-CB 3.83Å; F521-L555 HydrophobicContact CE2-CD1 3.9Å; F521-L555 HydrophobicContact CZ-CD1 3.98Å; F521-V602 HydrophobicContact CD1-CB 4Å; F521-V602 HydrophobicContact CD1-CG1 4.17Å; F521-V602 HydrophobicContact CE1-CB 4.04Å; F521-V602 HydrophobicContact CE1-CG1 4.02Å
522	D	83.4	Confident	84.4	Confident	67 Å²	67	49.6 Å²	49.6	36%	0.358	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	152.6	175.4	-177.9	34.2	0	0	0	109.4	L549 T550	D522-L549 CarbonylContact O-C 3.58Å; D522-L549 VanDerWaalsContact O-CA 3.28Å; D522-L549 WeakPolarHBondContact O-CA 3.28Å; D522-T550 WeakPolarHBondContact CB-O 3.35Å; D522-T550 PolarHBondContact O-N 2.59Å; D522-T550 PolarHBondContact OD2-OG1 3.29Å
523	A	87.7	Confident	84.5	Confident	3 Å²	3	54.9 Å²	54.9	3%	0.025	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.7	153	-174.5	0	0	0	0	0	112.1	R540 Y546 L548 L549 T550 L601	A523-R540 VanDerWaalsContact O-CD 3.26Å; A523-R540 WeakPolarHBondContact O-CD 3.38Å; A523-R540 PolarHBondContact O-NE 3.34Å; A523-Y546 HydrophobicContact CB-CD2 4.08Å; A523-Y546 HydrophobicContact CB-CG 3.99Å; A523-L548 CarbonylContact C-O 3.58Å; A523-L548 WeakPolarHBondContact CA-O 3.4Å; A523-L548 VanDerWaalsContact CB-O 3.31Å; A523-L548 WeakPolarHBondContact CB-O 3.18Å; A523-L549 HydrophobicContact CB-CD2 4.04Å; A523-T550 WeakPolarHBondContact CA-OG1 3.3Å; A523-T550 PolarHBondContact N-OG1 3.11Å; A523-L601 HydrophobicContact CB-CD1 4.12Å; A523-L601 HydrophobicContact CB-CD2 4.37Å
524	V	89.8	Confident	84.6	Confident	11 Å²	11	51.9 Å²	51.9	7%	0.067	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	163.3	171.5	-60.1	0	0	0	0	110.9	L537 T547 L548 T550 L623	V524-L537 HydrophobicContact CG2-CD2 4.48Å; V524-T547 PolarHBondContact O-N 3.04Å; V524-L548 HydrophobicContact CG2-CD1 3.45Å; V524-L548 VanDerWaalsContact CG2-CD1 3.45Å; V524-L548 HydrophobicContact CG2-CD2 3.73Å; V524-L548 HydrophobicContact CG2-CG 3.41Å; V524-L548 VanDerWaalsContact CG2-CG 3.41Å; V524-L548 PolarHBondContact N-O 3.14Å; V524-L548 PolarHBondContact O-N 2.92Å; V524-T550 HydrophobicContact CB-CG2 4.2Å; V524-T550 HydrophobicContact CG1-CG2 3.64Å; V524-T550 HydrophobicContact CG2-CG2 3.68Å; V524-L623 HydrophobicContact CG1-CD1 4.12Å
525	E	89.1	Confident	84.8	Confident	3 Å²	3	51.3 Å²	51.3	1%	0.014	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	139.7	176.9	-165.6	174.5	-173.7	0	0	110.2	K527 L537 S538 P545 R644	E525-K527 HydrophobicContact CG-CG 4.13Å; E525-K527 WeakPolarHBondContact OE1-CE 3.31Å; E525-K527 WeakPolarHBondContact OE2-CE 3.17Å; E525-K527 IonicContact OE2-NZ 2.91Å; E525-K527 PolarHBondContact OE2-NZ 3.03Å; E525-L537 WeakPolarHBondContact O-CA 3.13Å; E525-S538 PolarHBondContact N-O 2.69Å; E525-S538 VanDerWaalsContact N-O 3.16Å; E525-S538 PolarHBondContact O-N 3.05Å; E525-S538 PolarHBondContact O-OG 3.2Å; E525-P545 WeakPolarHBondContact CG-O 3.23Å; E525-R644 IonicContact OE1-CZ 2.72Å; E525-R644 VanDerWaalsContact OE1-CZ 3.25Å; E525-R644 IonicContact OE1-NE 3.29Å; E525-R644 PolarHBondContact OE1-NE 3.1Å; E525-R644 IonicContact OE1-NH2 2.88Å; E525-R644 PolarHBondContact OE1-NH2 2.86Å
526	V	88.2	Confident	84.9	Confident	6 Å²	6	51.9 Å²	51.9	4%	0.036	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	120.9	169.5	-179.9	0	0	0	0	107.1	W535 L537 T547 L548 F630 L640 L642	V526-W535 HydrophobicContact CG1-CB 4.29Å; V526-W535 HydrophobicContact CG1-CD2 4.41Å; V526-W535 HydrophobicContact CG1-CE3 3.73Å; V526-W535 HydrophobicContact CG1-CZ3 4.45Å; V526-L537 HydrophobicContact CG2-CD2 3.62Å; V526-T547 HydrophobicContact CB-CG2 3.8Å; V526-T547 HydrophobicContact CG2-CG2 3.59Å; V526-T547 PolarHBondContact N-OG1 3.14Å; V526-T547 VanDerWaalsContact N-OG1 3.07Å; V526-L548 HydrophobicContact CG2-CD2 3.74Å; V526-F630 HydrophobicContact CG1-CE1 4.23Å; V526-F630 HydrophobicContact CG1-CE2 4.31Å; V526-F630 HydrophobicContact CG1-CZ 3.66Å; V526-F630 HydrophobicContact CG2-CE2 4.3Å; V526-F630 HydrophobicContact CG2-CZ 4.39Å; V526-L640 HydrophobicContact CG1-CD2 4.21Å; V526-L642 HydrophobicContact CG2-CD1 4.03Å
527	K	85.9	Confident	85.2	Confident	81 Å²	81	51.5 Å²	51.5	35%	0.352	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	145.6	177.3	-66.7	-177.9	-178.8	167.2	0	110.5	E525 W535 S536	E525-K527 HydrophobicContact CG-CG 4.13Å; E525-K527 WeakPolarHBondContact OE1-CE 3.31Å; E525-K527 WeakPolarHBondContact OE2-CE 3.17Å; E525-K527 IonicContact OE2-NZ 2.91Å; E525-K527 PolarHBondContact OE2-NZ 3.03Å; K527-W535 CarbonylContact O-C 3.56Å; K527-W535 WeakPolarHBondContact O-CA 3.45Å; K527-S536 PolarHBondContact N-O 3.21Å; K527-S536 PolarHBondContact O-N 2.81Å; K527-S536 PolarHBondContact O-OG 3.42Å
528	Y	83.3	Confident	85.1	Confident	74 Å²	74	49.9 Å²	49.9	29%	0.29	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	115.7	168	-169.2	-102.8	0	0	0	110.1	A218 T530 K533 W535	A218-Y528 HydrophobicContact CB-CD1 4.01Å; A218-Y528 HydrophobicContact CB-CE1 4.12Å; A218-Y528 HydrophobicContact CB-CG 4.39Å; Y528-T530 HydrophobicContact CD1-CG2 4.32Å; Y528-T530 PolarHBondContact O-N 3.31Å; Y528-K533 WeakPolarHBondContact OH-CA 3.38Å; Y528-K533 PolarHBondContact OH-O 2.77Å; Y528-W535 AromaticContact CD2-CD1 3.91Å; Y528-W535 AromaticContact CD2-CD2 3.73Å; Y528-W535 HydrophobicContact CD2-CD2 3.73Å; Y528-W535 AromaticContact CD2-CE2 3.62Å; Y528-W535 HydrophobicContact CD2-CE3 4.24Å; Y528-W535 AromaticContact CD2-CG 3.96Å; Y528-W535 HydrophobicContact CD2-CG 3.96Å; Y528-W535 HydrophobicContact CD2-CZ2 4.11Å; Y528-W535 AromaticContact CD2-NE1 3.71Å; Y528-W535 HydrophobicContact CG-CD2 4.43Å
529	S	80	Confident	84.8	Confident	31 Å²	31	55.5 Å²	55.5	22%	0.217	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	109	171.6	177	0	0	0	0	109.2	K531 E532 K533 R534	S529-K531 VanDerWaalsContact C-N 3.25Å; S529-K531 PolarHBondContact O-N 3.24Å; S529-E532 PolarHBondContact O-N 3.18Å; S529-E532 WeakPolarHBondContact OG-CG 3.3Å; S529-E532 PolarHBondContact OG-N 3.28Å; S529-K533 VanDerWaalsContact O-CA 3.32Å; S529-K533 WeakPolarHBondContact O-CA 3.45Å; S529-K533 PolarHBondContact O-N 2.86Å; S529-R534 PolarHBondContact N-O 3.02Å; S529-R534 PolarHBondContact O-N 3.26Å
530	T	79.7	Confident	84.6	Confident	101 Å²	101	57.5 Å²	57.5	62%	0.62	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-33.6	176.2	51.4	0	0	0	0	112.2	Y528	Y528-T530 HydrophobicContact CD1-CG2 4.32Å; Y528-T530 PolarHBondContact O-N 3.31Å
531	K	80.5	Confident	84.3	Confident	180 Å²	180	62.8 Å²	62.8	78%	0.783	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-48.2	177.5	-174.8	-178.5	177.6	-175.7	0	112	S529 K533	S529-K531 VanDerWaalsContact C-N 3.25Å; S529-K531 PolarHBondContact O-N 3.24Å; K531-K533 VanDerWaalsContact C-N 3.34Å
532	E	81.6	Confident	83.8	Confident	109 Å²	109	66.6 Å²	66.6	51%	0.509	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-6.4	-177.5	-60.1	-60.7	143.3	0	0	112.8	S529 R534	S529-E532 PolarHBondContact O-N 3.18Å; S529-E532 WeakPolarHBondContact OG-CG 3.3Å; S529-E532 PolarHBondContact OG-N 3.28Å; E532-R534 HydrophobicContact CB-CG 3.72Å; E532-R534 PolarHBondContact O-N 3.48Å; E532-R534 VanDerWaalsContact O-N 3.17Å
533	K	81.8	Confident	83.6	Confident	169 Å²	169	67.6 Å²	67.6	74%	0.735	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.2	39	-172.1	-61.2	-178.5	179.1	177.4	0	112.8	Y528 S529 K531	Y528-K533 WeakPolarHBondContact OH-CA 3.38Å; Y528-K533 PolarHBondContact OH-O 2.77Å; S529-K533 VanDerWaalsContact O-CA 3.32Å; S529-K533 WeakPolarHBondContact O-CA 3.45Å; S529-K533 PolarHBondContact O-N 2.86Å; K531-K533 VanDerWaalsContact C-N 3.34Å
534	R	83.3	Confident	83.3	Confident	101 Å²	101	69.5 Å²	69.5	38%	0.381	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	154.8	-177.1	81	-173.5	-172.8	80.4	1.3	111.6	S529 E532	S529-R534 PolarHBondContact N-O 3.02Å; S529-R534 PolarHBondContact O-N 3.26Å; E532-R534 HydrophobicContact CB-CG 3.72Å; E532-R534 PolarHBondContact O-N 3.48Å; E532-R534 VanDerWaalsContact O-N 3.17Å
535	W	85.9	Confident	83.1	Confident	20 Å²	20	70 Å²	70	8%	0.076	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	135.5	169.6	-64.8	94.7	0	0	0	110.1	P216 V526 K527 Y528 Q627 F630 L634 L640	P216-W535 HydrophobicContact CB-CZ2 4.45Å; V526-W535 HydrophobicContact CG1-CB 4.29Å; V526-W535 HydrophobicContact CG1-CD2 4.41Å; V526-W535 HydrophobicContact CG1-CE3 3.73Å; V526-W535 HydrophobicContact CG1-CZ3 4.45Å; K527-W535 CarbonylContact O-C 3.56Å; K527-W535 WeakPolarHBondContact O-CA 3.45Å; Y528-W535 AromaticContact CD2-CD1 3.91Å; Y528-W535 AromaticContact CD2-CD2 3.73Å; Y528-W535 HydrophobicContact CD2-CD2 3.73Å; Y528-W535 AromaticContact CD2-CE2 3.62Å; Y528-W535 HydrophobicContact CD2-CE3 4.24Å; Y528-W535 AromaticContact CD2-CG 3.96Å; Y528-W535 HydrophobicContact CD2-CG 3.96Å; Y528-W535 HydrophobicContact CD2-CZ2 4.11Å; Y528-W535 AromaticContact CD2-NE1 3.71Å; Y528-W535 HydrophobicContact CG-CD2 4.43Å; W535-Q627 PolarHBondContact O-NE2 3.2Å; W535-Q627 VanDerWaalsContact O-NE2 3.1Å; W535-F630 HydrophobicContact CB-CE1 3.58Å; W535-F630 HydrophobicContact CB-CZ 3.94Å; W535-L634 HydrophobicContact CB-CD2 4.25Å; W535-L634 HydrophobicContact CG-CD2 4.19Å; W535-L640 HydrophobicContact CD2-CD2 3.92Å; W535-L640 HydrophobicContact CE3-CD2 3.92Å; W535-L640 HydrophobicContact CH2-CD2 4Å; W535-L640 HydrophobicContact CZ2-CD2 4.04Å; W535-L640 HydrophobicContact CZ3-CD2 3.94Å
536	S	87.2	Confident	83.1	Confident	25 Å²	25	69.9 Å²	69.9	18%	0.175	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	140.3	-179.1	56.9	0	0	0	0	111.4	K527 Q627	K527-S536 PolarHBondContact N-O 3.21Å; K527-S536 PolarHBondContact O-N 2.81Å; K527-S536 PolarHBondContact O-OG 3.42Å; S536-Q627 VanDerWaalsContact CA-OE1 3.3Å
537	L	88.4	Confident	83.1	Confident	12 Å²	12	70 Å²	70	6%	0.063	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	127.6	169.2	-54.7	-172.5	0	0	0	108.9	V524 E525 V526 L548 L623 R626 Q627 F630	V524-L537 HydrophobicContact CG2-CD2 4.48Å; E525-L537 WeakPolarHBondContact O-CA 3.13Å; V526-L537 HydrophobicContact CG2-CD2 3.62Å; L537-L548 HydrophobicContact CD1-CD2 4.49Å; L537-L548 HydrophobicContact CD2-CD2 3.55Å; L537-L623 HydrophobicContact CB-CD1 3.83Å; L537-L623 HydrophobicContact CB-CG 4.41Å; L537-L623 HydrophobicContact CD1-CD1 4.45Å; L537-R626 HydrophobicContact CD1-CB 3.65Å; L537-Q627 HydrophobicContact CD1-CB 4.47Å; L537-F630 HydrophobicContact CD1-CB 4.35Å; L537-F630 HydrophobicContact CD2-CD1 4.25Å; L537-F630 HydrophobicContact CD2-CD2 4.43Å; L537-F630 HydrophobicContact CD2-CG 4.14Å
538	S	86.8	Confident	83.3	Confident	28 Å²	28	66.1 Å²	66.1	20%	0.196	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	143.1	175.2	59.8	0	0	0	0	110.8	E525	E525-S538 PolarHBondContact N-O 2.69Å; E525-S538 VanDerWaalsContact N-O 3.16Å; E525-S538 PolarHBondContact O-N 3.05Å; E525-S538 PolarHBondContact O-OG 3.2Å
539	E	83	Confident	83.5	Confident	120 Å²	120	62.6 Å²	62.6	56%	0.561	32%	0.317	S	S	*	.			trans	-57.3	152.3	160.9	-67.6	175.3	-168.4	0	0	109.7	L623	E539-L623 HydrophobicContact CG-CD2 4.29Å
540	R	83.4	Confident	83.6	Confident	43 Å²	43	61.2 Å²	61.2	16%	0.162	31%	0.307	C	S	.	.			trans	-127.3	151.4	-172.9	72.1	174.5	-176.6	82.1	12.4	109.8	A523 D542 D544	A523-R540 VanDerWaalsContact O-CD 3.26Å; A523-R540 WeakPolarHBondContact O-CD 3.38Å; A523-R540 PolarHBondContact O-NE 3.34Å; R540-D542 PolarHBondContact NH1-O 2.92Å; R540-D544 HydrophobicContact CB-CB 4.1Å
541	N	78.7	Confident	83.1	Confident	111 Å²	111	57.3 Å²	57.3	59%	0.594	29%	0.287	S	S	*	.			trans	-76.5	163.2	160.5	-64.4	-47.3	0	0	0	110.2	S543 D544	N541-S543 PolarHBondContact O-N 3Å; N541-S543 VanDerWaalsContact O-N 3.15Å; N541-D544 WeakPolarHBondContact CB-OD2 2.96Å; N541-D544 PolarHBondContact N-OD2 3.31Å; N541-D544 PolarHBondContact O-N 2.95Å
542	D	72.2	Confident	82.2	Confident	104 Å²	104	51.7 Å²	51.7	56%	0.556	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-29	-179.4	-81	-26.1	0	0	0	113.4	R540 R648	R540-D542 PolarHBondContact NH1-O 2.92Å; D542-R648 PolarHBondContact O-NE 2.78Å; D542-R648 PolarHBondContact O-NH1 3.14Å; D542-R648 PolarHBondContact O-NH2 3.29Å; D542-R648 VanDerWaalsContact O-NH2 3.08Å
543	S	78.2	Confident	81.6	Confident	88 Å²	88	46.8 Å²	46.8	62%	0.615	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-17.4	177.9	53.4	0	0	0	0	114.3	N541 R648	N541-S543 PolarHBondContact O-N 3Å; N541-S543 VanDerWaalsContact O-N 3.15Å; S543-R648 PolarHBondContact O-NH2 3.35Å
544	D	82.2	Confident	81.5	Confident	42 Å²	42	39 Å²	39	23%	0.225	21%	0.21	C	C	.	.	S	Bend	trans	-78.2	144.4	-173	-63.5	-17.6	0	0	0	111.5	R540 N541 R648	R540-D544 HydrophobicContact CB-CB 4.1Å; N541-D544 WeakPolarHBondContact CB-OD2 2.96Å; N541-D544 PolarHBondContact N-OD2 3.31Å; N541-D544 PolarHBondContact O-N 2.95Å; D544-R648 VanDerWaalsContact C-NH2 3.26Å; D544-R648 PolarHBondContact O-NH2 3.42Å
545	P	86.8	Confident	81.4	Confident	21 Å²	21	34.7 Å²	34.7	14%	0.136	19%	0.194	C	C	.	.			trans	-58.7	153.8	173.6	23.9	-32	0	0	0	111.1	E525 R644 S645	E525-P545 WeakPolarHBondContact CG-O 3.23Å; P545-R644 HydrophobicContact CB-CG 3.83Å; P545-R644 HydrophobicContact CG-CG 4.4Å; P545-S645 WeakPolarHBondContact CA-O 3.02Å
546	Y	88.6	Confident	81.2	Confident	2 Å²	2	34 Å²	34	1%	0.008	19%	0.192	C	C	.	.	B	Isolated β-bridge	trans	-120.5	162.2	179.6	63.1	-84.5	0	0	0	110.4	A523 L549 A599 L601 R644 S645 V647 R648	A523-Y546 HydrophobicContact CB-CD2 4.08Å; A523-Y546 HydrophobicContact CB-CG 3.99Å; Y546-L549 HydrophobicContact CE2-CD2 4.48Å; Y546-A599 WeakPolarHBondContact CE2-O 3.21Å; Y546-A599 PolarHBondContact OH-O 3.13Å; Y546-L601 HydrophobicContact CD1-CB 4.15Å; Y546-L601 HydrophobicContact CD1-CD2 3.93Å; Y546-L601 HydrophobicContact CD2-CB 4.46Å; Y546-L601 HydrophobicContact CE1-CB 3.63Å; Y546-L601 HydrophobicContact CE1-CD2 4.14Å; Y546-L601 HydrophobicContact CE2-CB 3.98Å; Y546-L601 HydrophobicContact CG-CD2 4.41Å; Y546-L601 PolarHBondContact OH-N 3.21Å; Y546-L601 VanDerWaalsContact OH-N 3.11Å; Y546-R644 CarbonylContact O-C 3.36Å; Y546-R644 WeakPolarHBondContact O-CA 3.48Å; Y546-S645 WeakPolarHBondContact CD1-O 3.39Å; Y546-S645 WeakPolarHBondContact CE1-O 3.41Å; Y546-S645 PolarHBondContact N-O 2.71Å; Y546-S645 PolarHBondContact O-N 2.89Å; Y546-S645 PolarHBondContact OH-OG 2.75Å; Y546-V647 VanDerWaalsContact CE1-O 3.26Å; Y546-V647 WeakPolarHBondContact CE1-O 3.47Å; Y546-V647 PolarHBondContact OH-O 2.75Å; Y546-R648 HydrophobicContact CE1-CG 4.32Å
547	T	88.5	Confident	81.1	Confident	8 Å²	8	34.1 Å²	34.1	5%	0.049	19%	0.19	C	C	.	.	S	Bend	trans	-126.3	-35.3	-178.7	-48.6	0	0	0	0	112.2	V524 V526 L642	V524-T547 PolarHBondContact O-N 3.04Å; V526-T547 HydrophobicContact CB-CG2 3.8Å; V526-T547 HydrophobicContact CG2-CG2 3.59Å; V526-T547 PolarHBondContact N-OG1 3.14Å; V526-T547 VanDerWaalsContact N-OG1 3.07Å; T547-L642 HydrophobicContact CG2-CB 3.58Å; T547-L642 HydrophobicContact CG2-CD1 4.17Å; T547-L642 HydrophobicContact CG2-CG 4.49Å
548	L	89	Confident	80.6	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	142.1	178	70.3	100.5	0	0	0	110.9	A523 V524 V526 L537 T550 N588 L642	A523-L548 CarbonylContact C-O 3.58Å; A523-L548 WeakPolarHBondContact CA-O 3.4Å; A523-L548 VanDerWaalsContact CB-O 3.31Å; A523-L548 WeakPolarHBondContact CB-O 3.18Å; V524-L548 HydrophobicContact CG2-CD1 3.45Å; V524-L548 VanDerWaalsContact CG2-CD1 3.45Å; V524-L548 HydrophobicContact CG2-CD2 3.73Å; V524-L548 HydrophobicContact CG2-CG 3.41Å; V524-L548 VanDerWaalsContact CG2-CG 3.41Å; V524-L548 PolarHBondContact N-O 3.14Å; V524-L548 PolarHBondContact O-N 2.92Å; V526-L548 HydrophobicContact CG2-CD2 3.74Å; L537-L548 HydrophobicContact CD1-CD2 4.49Å; L537-L548 HydrophobicContact CD2-CD2 3.55Å; L548-T550 HydrophobicContact CD1-CG2 3.49Å; L548-T550 VanDerWaalsContact CD1-CG2 3.49Å; L548-N588 WeakPolarHBondContact CA-OD1 3.28Å; L548-N588 HydrophobicContact CB-CB 3.96Å; L548-L642 HydrophobicContact CB-CD1 4.41Å; L548-L642 HydrophobicContact CD2-CD1 4.23Å
549	L	88.3	Confident	80.4	Confident	0 Å²	0	38 Å²	38	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	134.4	173	-61.6	173.9	0	0	0	109.7	L518 G520 D522 A523 Y546 I554 N588 A599 L601	L518-L549 HydrophobicContact CB-CD1 3.72Å; G520-L549 VanDerWaalsContact N-CD1 3.29Å; D522-L549 CarbonylContact O-C 3.58Å; D522-L549 VanDerWaalsContact O-CA 3.28Å; D522-L549 WeakPolarHBondContact O-CA 3.28Å; A523-L549 HydrophobicContact CB-CD2 4.04Å; Y546-L549 HydrophobicContact CE2-CD2 4.48Å; L549-I554 HydrophobicContact CB-CD1 4.02Å; L549-I554 HydrophobicContact CB-CG1 4.41Å; L549-I554 HydrophobicContact CD1-CG2 4.39Å; L549-N588 PolarHBondContact N-ND2 3.21Å; L549-N588 PolarHBondContact N-OD1 3.13Å; L549-N588 PolarHBondContact O-ND2 3.1Å; L549-A599 HydrophobicContact CD1-CB 3.63Å; L549-A599 HydrophobicContact CD2-CB 4.37Å; L549-A599 HydrophobicContact CG-CB 3.6Å; L549-L601 HydrophobicContact CD2-CB 4.29Å; L549-L601 HydrophobicContact CD2-CD1 4.06Å
550	T	81.7	Confident	80.3	Confident	2 Å²	2	32.3 Å²	32.3	1%	0.012	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	162.6	177.1	44.9	0	0	0	0	111.5	D522 A523 V524 L548	D522-T550 WeakPolarHBondContact CB-O 3.35Å; D522-T550 PolarHBondContact O-N 2.59Å; D522-T550 PolarHBondContact OD2-OG1 3.29Å; A523-T550 WeakPolarHBondContact CA-OG1 3.3Å; A523-T550 PolarHBondContact N-OG1 3.11Å; V524-T550 HydrophobicContact CB-CG2 4.2Å; V524-T550 HydrophobicContact CG1-CG2 3.64Å; V524-T550 HydrophobicContact CG2-CG2 3.68Å; L548-T550 HydrophobicContact CD1-CG2 3.49Å; L548-T550 VanDerWaalsContact CD1-CG2 3.49Å
551	G	69.1	Low	80	Confident	19 Å²	19	31.1 Å²	31.1	20%	0.196	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	89.1	-144.5	162.6	0	0	0	0	0	110.8	D584	G551-D584 PolarHBondContact N-OD2 2.64Å
552	N	61.6	Low	80	Confident	62 Å²	62	29 Å²	29	33%	0.332	15%	0.154	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	-23.6	-138.9	-94.2	-9.2	0	0	0	112.1	V493 A494 R495	V493-N552 CarbonylContact C-O 3.37Å; V493-N552 WeakPolarHBondContact CA-O 3.41Å; A494-N552 HydrophobicContact CB-CB 4.36Å; A494-N552 WeakPolarHBondContact CB-OD1 3.36Å; A494-N552 PolarHBondContact N-O 3.47Å; A494-N552 WeakPolarHBondContact O-CB 3.44Å; A494-N552 PolarHBondContact O-ND2 3.19Å; A494-N552 VanDerWaalsContact O-ND2 3.09Å; A494-N552 PolarHBondContact O-OD1 3.34Å; R495-N552 PolarHBondContact O-ND2 3.17Å
553	A	69.2	Low	80.3	Confident	5 Å²	5	24.9 Å²	24.9	4%	0.041	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	112	176.7	0	0	0	0	0	110	E492 V493 F521	E492-A553 WeakPolarHBondContact O-CA 3.35Å; V493-A553 HydrophobicContact CG1-CB 4.45Å; V493-A553 HydrophobicContact CG2-CB 3.97Å; F521-A553 HydrophobicContact CD2-CB 3.79Å; F521-A553 WeakPolarHBondContact CD2-O 3.27Å; F521-A553 HydrophobicContact CE2-CB 3.83Å
554	I	79.2	Confident	80.1	Confident	6 Å²	6	20.8 Å²	20.8	3%	0.031	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	124.5	173.6	-58.4	177.3	0	0	0	108.1	E492 L518 I519 L549 F556 D584 L587	E492-I554 PolarHBondContact O-N 3.32Å; L518-I554 HydrophobicContact CB-CG2 4.08Å; L518-I554 HydrophobicContact CD2-CG2 4.18Å; I519-I554 CarbonylContact O-C 3.51Å; I519-I554 WeakPolarHBondContact O-CA 3.44Å; L549-I554 HydrophobicContact CB-CD1 4.02Å; L549-I554 HydrophobicContact CB-CG1 4.41Å; L549-I554 HydrophobicContact CD1-CG2 4.39Å; I554-F556 HydrophobicContact CG2-CD1 4.28Å; I554-F556 WeakPolarHBondContact O-CD1 3.34Å; I554-D584 HydrophobicContact CD1-CB 3.84Å; I554-L587 HydrophobicContact CG2-CD2 4.06Å
555	L	81	Confident	79.4	Confident	10 Å²	10	22.5 Å²	22.5	5%	0.052	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	129.3	170.9	-55	86.4	0	0	0	108.7	L491 A507 V508 W511 I519 F521	L491-L555 HydrophobicContact CD1-CD1 4.42Å; L491-L555 HydrophobicContact CD1-CD2 4.42Å; L491-L555 HydrophobicContact CD1-CG 3.74Å; A507-L555 HydrophobicContact CB-CD1 3.87Å; A507-L555 HydrophobicContact CB-CD2 4.26Å; V508-L555 HydrophobicContact CB-CD2 4.38Å; V508-L555 HydrophobicContact CG2-CD2 3.65Å; W511-L555 HydrophobicContact CB-CD2 4.41Å; W511-L555 HydrophobicContact CG-CB 4.32Å; I519-L555 HydrophobicContact CB-CB 4.22Å; I519-L555 HydrophobicContact CB-CD1 4.24Å; I519-L555 HydrophobicContact CG2-CD1 4.22Å; I519-L555 PolarHBondContact N-O 3.18Å; I519-L555 PolarHBondContact O-N 3.3Å; F521-L555 HydrophobicContact CE2-CD1 3.9Å; F521-L555 HydrophobicContact CZ-CD1 3.98Å
556	F	82.8	Confident	78.4	Confident	7 Å²	7	24.2 Å²	24.2	3%	0.031	12%	0.121	C	C	.	.			trans	-151.7	174.4	179.9	62.7	-90.9	0	0	0	110	L490 E492 L518 I554 Y560 L587	L490-F556 HydrophobicContact CD2-CD2 3.93Å; L490-F556 HydrophobicContact CD2-CE2 3.96Å; L490-F556 HydrophobicContact CD2-CG 4.48Å; L490-F556 WeakPolarHBondContact CD2-O 3.35Å; E492-F556 HydrophobicContact CB-CE1 4.05Å; L518-F556 HydrophobicContact CD2-CB 3.35Å; L518-F556 HydrophobicContact CD2-CG 4.32Å; I554-F556 HydrophobicContact CG2-CD1 4.28Å; I554-F556 WeakPolarHBondContact O-CD1 3.34Å; F556-Y560 HydrophobicContact CB-CD2 4.38Å; F556-L587 HydrophobicContact CB-CD2 4.26Å; F556-L587 HydrophobicContact CD1-CD2 3.48Å; F556-L587 VanDerWaalsContact CD1-CD2 3.48Å; F556-L587 HydrophobicContact CD2-CD1 4.1Å; F556-L587 HydrophobicContact CD2-CD2 4.37Å; F556-L587 HydrophobicContact CE1-CD2 3.77Å; F556-L587 HydrophobicContact CE2-CD1 4.37Å; F556-L587 HydrophobicContact CG-CD1 4.25Å; F556-L587 HydrophobicContact CG-CD2 3.81Å; F556-L587 HydrophobicContact CZ-CD2 4.36Å
557	H	83.6	Confident	76.5	Confident	26 Å²	26	26.3 Å²	26.3	12%	0.12	14%	0.135	C	C	.	.			trans	-93.8	138.2	176.4	-169.7	-75.8	0	0	0	112.2	D444 P446 W511 Y559 Y560	D444-H557 PolarHBondContact O-CE1 3.03Å; D444-H557 PolarHBondContact O-NE2 3.03Å; P446-H557 HydrophobicContact CB-CB 3.57Å; P446-H557 VanDerWaalsContact CB-CG 3.49Å; P446-H557 HydrophobicContact CG-CB 3.84Å; W511-H557 HydrophobicContact CZ2-CB 3.98Å; W511-H557 AromaticContact CZ2-CD2 3.97Å; H557-Y559 WeakPolarHBondContact ND1-CB 3.39Å; H557-Y559 PolarHBondContact ND1-N 3.13Å; H557-Y559 VanDerWaalsContact ND1-N 3.16Å; H557-Y559 PolarHBondContact O-N 2.9Å; H557-Y560 HydrophobicContact CB-CD2 4.1Å; H557-Y560 HydrophobicContact CB-CE2 4.13Å; H557-Y560 WeakPolarHBondContact O-CB 3.3Å; H557-Y560 WeakPolarHBondContact O-CD2 3.31Å; H557-Y560 PolarHBondContact O-N 2.7Å
558	R	79	Confident	74.8	Confident	120 Å²	120	29.9 Å²	29.9	45%	0.453	16%	0.159	S	C	.	.	H	α-helix	trans	-55.2	-35.2	-170.8	172.7	177.7	172.5	-174.8	-4.2	111.5	F438 L490 Y560 S561 W562	F438-R558 HydrophobicContact CE2-CG 4.48Å; L490-R558 HydrophobicContact CD1-CB 3.55Å; L490-R558 VanDerWaalsContact CD2-CA 3.45Å; L490-R558 HydrophobicContact CD2-CB 3.89Å; L490-R558 HydrophobicContact CG-CB 3.72Å; R558-Y560 PolarHBondContact O-N 2.58Å; R558-Y560 VanDerWaalsContact O-N 3.13Å; R558-S561 WeakPolarHBondContact O-CB 3.27Å; R558-S561 PolarHBondContact O-N 2.71Å; R558-S561 PolarHBondContact O-OG 3.49Å; R558-W562 PolarHBondContact O-N 2.95Å
559	Y	81.6	Confident	73.3	Confident	3 Å²	3	32.3 Å²	32.3	1%	0.012	17%	0.171	C	C	.	.	H	α-helix	trans	-45.3	-41.3	173.1	-172.7	-117.3	0	0	0	113.7	Y433 S435 F438 F445 P446 F447 H557 S561 W562 V563	Y433-Y559 VanDerWaalsContact C-OH 3.29Å; Y433-Y559 WeakPolarHBondContact O-CE1 3.13Å; Y433-Y559 PolarHBondContact O-OH 3.22Å; S435-Y559 PolarHBondContact N-OH 3.06Å; S435-Y559 VanDerWaalsContact N-OH 3.17Å; F438-Y559 HydrophobicContact CB-CD2 4.12Å; F438-Y559 HydrophobicContact CB-CE2 3.81Å; F438-Y559 AromaticContact CD1-CD2 3.39Å; F438-Y559 HydrophobicContact CD1-CD2 3.39Å; F438-Y559 AromaticContact CD1-CE2 3.83Å; F438-Y559 HydrophobicContact CD1-CE2 3.83Å; F438-Y559 HydrophobicContact CD1-CG 4.45Å; F438-Y559 AromaticContact CD2-CD2 3.8Å; F438-Y559 HydrophobicContact CD2-CD2 3.8Å; F438-Y559 HydrophobicContact CD2-CE2 4.3Å; F438-Y559 AromaticContact CE1-CD2 3.65Å; F438-Y559 HydrophobicContact CE1-CD2 3.65Å; F438-Y559 HydrophobicContact CE1-CG 4.36Å; F438-Y559 HydrophobicContact CE2-CD2 4.01Å; F438-Y559 AromaticContact CG-CD2 3.47Å; F438-Y559 HydrophobicContact CG-CD2 3.47Å; F438-Y559 VanDerWaalsContact CG-CD2 3.47Å; F438-Y559 AromaticContact CG-CE2 3.7Å; F438-Y559 HydrophobicContact CG-CE2 3.7Å; F438-Y559 AromaticContact CZ-CD2 3.95Å; F438-Y559 HydrophobicContact CZ-CD2 3.95Å; F445-Y559 HydrophobicContact CD1-CD1 4.21Å; F445-Y559 AromaticContact CD1-CD2 3.84Å; F445-Y559 HydrophobicContact CD1-CD2 3.84Å; F445-Y559 HydrophobicContact CD1-CE1 4.08Å; F445-Y559 AromaticContact CD1-CE2 3.74Å; F445-Y559 HydrophobicContact CD1-CE2 3.74Å; F445-Y559 HydrophobicContact CD1-CG 4.09Å; F445-Y559 AromaticContact CD1-CZ 3.86Å; F445-Y559 AromaticContact CE1-CD2 3.9Å; F445-Y559 HydrophobicContact CE1-CD2 3.9Å; F445-Y559 HydrophobicContact CE1-CE1 4.45Å; F445-Y559 AromaticContact CE1-CE2 3.46Å; F445-Y559 HydrophobicContact CE1-CE2 3.46Å; F445-Y559 VanDerWaalsContact CE1-CE2 3.46Å; F445-Y559 AromaticContact CE1-CZ 3.76Å; P446-Y559 HydrophobicContact CG-CD1 4.36Å; F447-Y559 HydrophobicContact CE2-CD1 4.01Å; F447-Y559 AromaticContact CE2-CE1 4Å; F447-Y559 HydrophobicContact CE2-CE1 4Å; F447-Y559 HydrophobicContact CZ-CD1 4.22Å; F447-Y559 HydrophobicContact CZ-CE1 4.39Å; H557-Y559 WeakPolarHBondContact ND1-CB 3.39Å; H557-Y559 PolarHBondContact ND1-N 3.13Å; H557-Y559 VanDerWaalsContact ND1-N 3.16Å; H557-Y559 PolarHBondContact O-N 2.9Å; Y559-S561 VanDerWaalsContact C-N 3.34Å; Y559-S561 PolarHBondContact O-N 3.16Å; Y559-W562 HydrophobicContact CD2-CE3 4.43Å; Y559-W562 AromaticContact CE2-CE3 3.8Å; Y559-W562 HydrophobicContact CE2-CE3 3.8Å; Y559-W562 HydrophobicContact CE2-CZ3 4.3Å; Y559-W562 WeakPolarHBondContact O-CB 3.17Å; Y559-W562 PolarHBondContact O-N 3.09Å; Y559-W562 VanDerWaalsContact O-N 3.11Å; Y559-V563 HydrophobicContact CD1-CG2 3.94Å; Y559-V563 HydrophobicContact CD2-CG2 4.33Å; Y559-V563 HydrophobicContact CE1-CG2 3.42Å; Y559-V563 VanDerWaalsContact CE1-CG2 3.42Å; Y559-V563 HydrophobicContact CE2-CG2 3.84Å; Y559-V563 HydrophobicContact CG-CG2 4.37Å; Y559-V563 WeakPolarHBondContact O-CG2 3.3Å; Y559-V563 PolarHBondContact O-N 2.8Å
560	Y	81.8	Confident	71.6	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-67.2	-33.4	-179.9	-61.1	-48.7	0	0	0	113.5	P446 F447 H516 F556 H557 R558 W562 V563 A564 V591 I594 T595	P446-Y560 HydrophobicContact CG-CE1 4.27Å; P446-Y560 HydrophobicContact CG-CE2 4.18Å; F447-Y560 HydrophobicContact CE1-CE1 4.05Å; F447-Y560 AromaticContact CE1-CZ 3.94Å; F447-Y560 WeakPolarHBondContact CE1-OH 3.43Å; F447-Y560 AromaticContact CZ-CE1 3.74Å; F447-Y560 HydrophobicContact CZ-CE1 3.74Å; H516-Y560 WeakPolarHBondContact CA-OH 3.5Å; H516-Y560 PolarHBondContact O-OH 2.84Å; F556-Y560 HydrophobicContact CB-CD2 4.38Å; H557-Y560 HydrophobicContact CB-CD2 4.1Å; H557-Y560 HydrophobicContact CB-CE2 4.13Å; H557-Y560 WeakPolarHBondContact O-CB 3.3Å; H557-Y560 WeakPolarHBondContact O-CD2 3.31Å; H557-Y560 PolarHBondContact O-N 2.7Å; R558-Y560 PolarHBondContact O-N 2.58Å; R558-Y560 VanDerWaalsContact O-N 3.13Å; Y560-W562 VanDerWaalsContact C-N 3.32Å; Y560-V563 PolarHBondContact O-N 3.47Å; Y560-A564 VanDerWaalsContact O-CB 3.25Å; Y560-A564 WeakPolarHBondContact O-CB 3.36Å; Y560-A564 PolarHBondContact O-N 3.35Å; Y560-V591 HydrophobicContact CD1-CG2 3.7Å; Y560-V591 HydrophobicContact CD2-CG2 3.46Å; Y560-V591 VanDerWaalsContact CD2-CG2 3.46Å; Y560-V591 HydrophobicContact CE1-CG1 4.39Å; Y560-V591 HydrophobicContact CE1-CG2 3.94Å; Y560-V591 HydrophobicContact CE2-CB 4.5Å; Y560-V591 HydrophobicContact CE2-CG1 3.95Å; Y560-V591 HydrophobicContact CE2-CG2 3.71Å; Y560-V591 HydrophobicContact CG-CG2 3.43Å; Y560-V591 VanDerWaalsContact CG-CG2 3.43Å; Y560-I594 HydrophobicContact CD1-CD1 3.75Å; Y560-I594 HydrophobicContact CE1-CB 4.46Å; Y560-I594 HydrophobicContact CE1-CD1 3.84Å; Y560-I594 HydrophobicContact CE1-CG2 4.28Å; Y560-T595 WeakPolarHBondContact OH-CG2 3.43Å
561	S	77.6	Confident	70.8	Confident	18 Å²	18	43 Å²	43	13%	0.126	22%	0.219	C	C	.	.	H	α-helix	trans	-65.6	-38.9	171.3	68.8	0	0	0	0	111.7	R558 Y559 A564 L565	R558-S561 WeakPolarHBondContact O-CB 3.27Å; R558-S561 PolarHBondContact O-N 2.71Å; R558-S561 PolarHBondContact O-OG 3.49Å; Y559-S561 VanDerWaalsContact C-N 3.34Å; Y559-S561 PolarHBondContact O-N 3.16Å; S561-A564 PolarHBondContact O-N 3.3Å; S561-L565 WeakPolarHBondContact O-CB 3.21Å; S561-L565 WeakPolarHBondContact O-CD1 3.15Å; S561-L565 WeakPolarHBondContact O-CG 3.35Å; S561-L565 PolarHBondContact O-N 2.78Å; S561-L565 VanDerWaalsContact O-N 3.16Å
562	W	78.1	Confident	71	Confident	65 Å²	65	42.3 Å²	42.3	25%	0.246	21%	0.212	C	C	.	.	H	α-helix	trans	-63.7	-49.1	175.7	-176.1	91.7	0	0	0	110.7	S435 D437 F438 R558 Y559 Y560 A564 L565 D566	S435-W562 WeakPolarHBondContact OG-CH2 3.42Å; D437-W562 HydrophobicContact CB-CH2 4.37Å; D437-W562 HydrophobicContact CB-CZ2 3.84Å; F438-W562 HydrophobicContact CB-CD2 3.9Å; F438-W562 HydrophobicContact CB-CE3 4.09Å; F438-W562 HydrophobicContact CB-CG 4.41Å; F438-W562 HydrophobicContact CB-CZ2 4.37Å; F438-W562 HydrophobicContact CB-CZ3 4.49Å; F438-W562 HydrophobicContact CD2-CB 3.73Å; F438-W562 AromaticContact CD2-CD1 3.8Å; F438-W562 AromaticContact CD2-CD2 3.89Å; F438-W562 HydrophobicContact CD2-CD2 3.89Å; F438-W562 AromaticContact CD2-CG 3.5Å; F438-W562 HydrophobicContact CD2-CG 3.5Å; F438-W562 VanDerWaalsContact CD2-CG 3.5Å; F438-W562 HydrophobicContact CE2-CB 4.01Å; F438-W562 HydrophobicContact CE2-CG 4.25Å; F438-W562 HydrophobicContact CG-CD2 4.31Å; F438-W562 HydrophobicContact CG-CG 4.36Å; R558-W562 PolarHBondContact O-N 2.95Å; Y559-W562 HydrophobicContact CD2-CE3 4.43Å; Y559-W562 AromaticContact CE2-CE3 3.8Å; Y559-W562 HydrophobicContact CE2-CE3 3.8Å; Y559-W562 HydrophobicContact CE2-CZ3 4.3Å; Y559-W562 WeakPolarHBondContact O-CB 3.17Å; Y559-W562 PolarHBondContact O-N 3.09Å; Y559-W562 VanDerWaalsContact O-N 3.11Å; Y560-W562 VanDerWaalsContact C-N 3.32Å; W562-A564 VanDerWaalsContact C-N 3.33Å; W562-A564 PolarHBondContact O-N 3.08Å; W562-L565 PolarHBondContact O-N 3.06Å; W562-D566 HydrophobicContact CD2-CB 4.34Å; W562-D566 HydrophobicContact CE3-CB 4.46Å; W562-D566 HydrophobicContact CH2-CB 4.05Å; W562-D566 WeakPolarHBondContact CH2-OD2 3.46Å; W562-D566 HydrophobicContact CZ2-CB 4.06Å; W562-D566 WeakPolarHBondContact CZ2-OD2 3.27Å; W562-D566 HydrophobicContact CZ3-CB 4.3Å; W562-D566 VanDerWaalsContact O-CB 3.24Å; W562-D566 WeakPolarHBondContact O-CB 3.44Å; W562-D566 PolarHBondContact O-N 3.42Å
563	V	78	Confident	71.5	Confident	19 Å²	19	45.2 Å²	45.2	12%	0.115	22%	0.218	C	C	.	.	H	α-helix	trans	-60.9	-40.4	178	177.4	0	0	0	0	112	Y559 Y560 L565 L569 I590 I594	Y559-V563 HydrophobicContact CD1-CG2 3.94Å; Y559-V563 HydrophobicContact CD2-CG2 4.33Å; Y559-V563 HydrophobicContact CE1-CG2 3.42Å; Y559-V563 VanDerWaalsContact CE1-CG2 3.42Å; Y559-V563 HydrophobicContact CE2-CG2 3.84Å; Y559-V563 HydrophobicContact CG-CG2 4.37Å; Y559-V563 WeakPolarHBondContact O-CG2 3.3Å; Y559-V563 PolarHBondContact O-N 2.8Å; Y560-V563 PolarHBondContact O-N 3.47Å; V563-L565 VanDerWaalsContact C-N 3.29Å; V563-L565 PolarHBondContact O-N 2.94Å; V563-L569 HydrophobicContact CG1-CD1 4.28Å; V563-I590 HydrophobicContact CG1-CG2 4.12Å; V563-I594 HydrophobicContact CB-CD1 4.4Å; V563-I594 HydrophobicContact CG1-CD1 3.96Å; V563-I594 HydrophobicContact CG2-CD1 4.45Å
564	A	73.6	Confident	71.9	Confident	1 Å²	1	52.1 Å²	52.1	1%	0.008	25%	0.247	C	C	.	.	H	α-helix	trans	-69.7	-24.6	-179.3	0	0	0	0	0	114.1	Y560 S561 W562 T572 W583 I590	Y560-A564 VanDerWaalsContact O-CB 3.25Å; Y560-A564 WeakPolarHBondContact O-CB 3.36Å; Y560-A564 PolarHBondContact O-N 3.35Å; S561-A564 PolarHBondContact O-N 3.3Å; W562-A564 VanDerWaalsContact C-N 3.33Å; W562-A564 PolarHBondContact O-N 3.08Å; A564-T572 PolarHBondContact O-OG1 2.55Å; A564-T572 VanDerWaalsContact O-OG1 3.13Å; A564-W583 HydrophobicContact CB-CH2 3.7Å; A564-W583 HydrophobicContact CB-CZ3 3.77Å; A564-I590 HydrophobicContact CB-CD1 3.35Å
565	L	68.2	Low	72	Confident	78 Å²	78	52.5 Å²	52.5	41%	0.408	25%	0.249	S	C	.	.	H	α-helix	trans	-102	-19.3	-176.2	-64.1	174.1	0	0	0	113.2	S561 W562 V563 R573 W583	S561-L565 WeakPolarHBondContact O-CB 3.21Å; S561-L565 WeakPolarHBondContact O-CD1 3.15Å; S561-L565 WeakPolarHBondContact O-CG 3.35Å; S561-L565 PolarHBondContact O-N 2.78Å; S561-L565 VanDerWaalsContact O-N 3.16Å; W562-L565 PolarHBondContact O-N 3.06Å; V563-L565 VanDerWaalsContact C-N 3.29Å; V563-L565 PolarHBondContact O-N 2.94Å; L565-R573 HydrophobicContact CD2-CG 4.49Å; L565-W583 HydrophobicContact CD2-CZ3 4.31Å; L565-W583 HydrophobicContact CG-CH2 4.46Å
566	D	65.3	Low	71.9	Confident	57 Å²	57	53 Å²	53	31%	0.305	25%	0.252	S	S	.	.	S	Bend	trans	-92.8	147	-178.3	-154.1	43.1	0	0	0	112.4	W562 L569	W562-D566 HydrophobicContact CD2-CB 4.34Å; W562-D566 HydrophobicContact CE3-CB 4.46Å; W562-D566 HydrophobicContact CH2-CB 4.05Å; W562-D566 WeakPolarHBondContact CH2-OD2 3.46Å; W562-D566 HydrophobicContact CZ2-CB 4.06Å; W562-D566 WeakPolarHBondContact CZ2-OD2 3.27Å; W562-D566 HydrophobicContact CZ3-CB 4.3Å; W562-D566 VanDerWaalsContact O-CB 3.24Å; W562-D566 WeakPolarHBondContact O-CB 3.44Å; W562-D566 PolarHBondContact O-N 3.42Å; D566-L569 PolarHBondContact O-N 3.02Å
567	P	50.1	Low	71.8	Confident	47 Å²	47	58.6 Å²	58.6	31%	0.305	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	134	173.9	-23.3	36	0	0	0	111	R570	P567-R570 HydrophobicContact CB-CG 4.3Å; P567-R570 HydrophobicContact CG-CG 4.38Å
568	P	51.2	Low	71.7	Confident	83 Å²	83	64.2 Å²	64.2	54%	0.539	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	cis	-96.3	-4.7	32.4	33.4	-35.1	0	0	0	116.5	K107 R570	K107-P568 HydrophobicContact CB-CB 4.32Å; P568-R570 PolarHBondContact O-N 3.28Å
569	L	57.9	Low	71.8	Confident	51 Å²	51	60.4 Å²	60.4	27%	0.267	29%	0.291	S	S	.	.			trans	-78.7	43.2	-175	-62.8	175.9	0	0	0	112.9	V563 D566 S571 T572 R573 I590	V563-L569 HydrophobicContact CG1-CD1 4.28Å; D566-L569 PolarHBondContact O-N 3.02Å; L569-S571 PolarHBondContact O-N 2.87Å; L569-T572 HydrophobicContact CB-CG2 4.06Å; L569-T572 VanDerWaalsContact CB-OG1 3.29Å; L569-T572 WeakPolarHBondContact CB-OG1 3.29Å; L569-T572 HydrophobicContact CD2-CG2 4.18Å; L569-T572 PolarHBondContact O-N 3.01Å; L569-T572 PolarHBondContact O-OG1 2.86Å; L569-R573 PolarHBondContact O-N 3.23Å; L569-R573 VanDerWaalsContact O-N 3.17Å; L569-I590 HydrophobicContact CD1-CD1 3.59Å; L569-I590 HydrophobicContact CD1-CG1 3.85Å; L569-I590 HydrophobicContact CD1-CG2 4.46Å
570	R	53.6	Low	71.5	Confident	173 Å²	173	63.7 Å²	63.7	65%	0.653	31%	0.313	S	S	*	.	H	α-helix	trans	-58.7	-32.3	179.9	-67.8	-173.1	-176.6	-154.8	0.3	112.5	P567 P568 K574	P567-R570 HydrophobicContact CB-CG 4.3Å; P567-R570 HydrophobicContact CG-CG 4.38Å; P568-R570 PolarHBondContact O-N 3.28Å; R570-K574 WeakPolarHBondContact O-CG 3.07Å; R570-K574 PolarHBondContact O-N 3.46Å
571	S	65.4	Low	71	Confident	52 Å²	52	65.4 Å²	65.4	36%	0.364	32%	0.322	S	S	.	.	H	α-helix	trans	-65.3	-41.2	175.9	51.5	0	0	0	0	111.8	L569 K574 L575	L569-S571 PolarHBondContact O-N 2.87Å; S571-K574 PolarHBondContact O-N 2.8Å; S571-L575 WeakPolarHBondContact O-CB 3.49Å; S571-L575 PolarHBondContact O-N 2.95Å
572	T	71.4	Confident	71.1	Confident	6 Å²	6	64.6 Å²	64.6	4%	0.037	32%	0.316	C	S	.	.	H	α-helix	trans	-68.3	-41.7	178.7	68.2	0	0	0	0	110.9	A564 L569 K574 L575 V576 V586 L633	A564-T572 PolarHBondContact O-OG1 2.55Å; A564-T572 VanDerWaalsContact O-OG1 3.13Å; L569-T572 HydrophobicContact CB-CG2 4.06Å; L569-T572 VanDerWaalsContact CB-OG1 3.29Å; L569-T572 WeakPolarHBondContact CB-OG1 3.29Å; L569-T572 HydrophobicContact CD2-CG2 4.18Å; L569-T572 PolarHBondContact O-N 3.01Å; L569-T572 PolarHBondContact O-OG1 2.86Å; T572-K574 VanDerWaalsContact C-N 3.34Å; T572-K574 PolarHBondContact O-N 3.38Å; T572-L575 WeakPolarHBondContact O-CB 3.45Å; T572-L575 PolarHBondContact O-N 3.08Å; T572-L575 VanDerWaalsContact O-N 3.11Å; T572-V576 VanDerWaalsContact O-CG2 3.3Å; T572-V576 WeakPolarHBondContact O-CG2 3.38Å; T572-V576 PolarHBondContact O-N 3.19Å; T572-V586 HydrophobicContact CG2-CG1 4.48Å; T572-L633 HydrophobicContact CG2-CD2 3.72Å
573	R	72.8	Confident	71.3	Confident	122 Å²	122	62.6 Å²	62.6	46%	0.46	31%	0.309	S	S	.	.	H	α-helix	trans	-58.1	-46.1	175.6	-178.4	174.2	176.2	169.7	-0.7	111.8	L565 L569 L575 V576 Q577	L565-R573 HydrophobicContact CD2-CG 4.49Å; L569-R573 PolarHBondContact O-N 3.23Å; L569-R573 VanDerWaalsContact O-N 3.17Å; R573-L575 VanDerWaalsContact C-N 3.33Å; R573-L575 PolarHBondContact O-N 2.97Å; R573-V576 PolarHBondContact O-N 3.09Å; R573-Q577 WeakPolarHBondContact O-CB 3.25Å; R573-Q577 VanDerWaalsContact O-CG 3.26Å; R573-Q577 WeakPolarHBondContact O-CG 3.29Å; R573-Q577 PolarHBondContact O-N 3.04Å
574	K	78.6	Confident	71.6	Confident	151 Å²	151	62.1 Å²	62.1	66%	0.657	31%	0.306	S	S	*	.	H	α-helix	trans	-62.4	-39.9	175.5	-73	-179.3	178	-173.4	0	111.9	R570 S571 T572 Q577 K578	R570-K574 WeakPolarHBondContact O-CG 3.07Å; R570-K574 PolarHBondContact O-N 3.46Å; S571-K574 PolarHBondContact O-N 2.8Å; T572-K574 VanDerWaalsContact C-N 3.34Å; T572-K574 PolarHBondContact O-N 3.38Å; K574-Q577 PolarHBondContact O-N 3.46Å; K574-K578 WeakPolarHBondContact O-CB 3.45Å; K574-K578 PolarHBondContact O-N 3.4Å
575	L	81	Confident	72.3	Confident	13 Å²	13	62.1 Å²	62.1	7%	0.068	31%	0.306	C	S	.	.	H	α-helix	trans	-62.9	-45.9	178.1	-174.9	64.5	0	0	0	111.7	S571 T572 R573 K578 N579 V586 Y628 C629 Q632 L633	S571-L575 WeakPolarHBondContact O-CB 3.49Å; S571-L575 PolarHBondContact O-N 2.95Å; T572-L575 WeakPolarHBondContact O-CB 3.45Å; T572-L575 PolarHBondContact O-N 3.08Å; T572-L575 VanDerWaalsContact O-N 3.11Å; R573-L575 VanDerWaalsContact C-N 3.33Å; R573-L575 PolarHBondContact O-N 2.97Å; L575-K578 PolarHBondContact O-N 2.91Å; L575-N579 PolarHBondContact O-N 2.78Å; L575-V586 HydrophobicContact CD2-CG2 4.38Å; L575-Y628 HydrophobicContact CD1-CE1 4.1Å; L575-C629 HydrophobicContact CD2-CB 4.1Å; L575-C629 HydrophobicContact CG-CB 4.42Å; L575-Q632 HydrophobicContact CD1-CB 4Å; L575-Q632 HydrophobicContact CD1-CG 4.13Å; L575-Q632 HydrophobicContact CD2-CB 4.01Å; L575-L633 HydrophobicContact CD2-CD2 4.15Å; L575-L633 HydrophobicContact CD2-CG 3.98Å
576	V	78.6	Confident	73.1	Confident	21 Å²	21	58.4 Å²	58.4	13%	0.127	29%	0.286	C	S	.	.	H	α-helix	trans	-67.1	-40.7	177.8	176.9	0	0	0	0	111.2	T572 R573 K578 N579 P580 W583 V586	T572-V576 VanDerWaalsContact O-CG2 3.3Å; T572-V576 WeakPolarHBondContact O-CG2 3.38Å; T572-V576 PolarHBondContact O-N 3.19Å; R573-V576 PolarHBondContact O-N 3.09Å; V576-K578 VanDerWaalsContact C-N 3.31Å; V576-K578 PolarHBondContact O-N 2.91Å; V576-N579 CarbonylContact O-C 3.56Å; V576-N579 PolarHBondContact O-N 3.01Å; V576-P580 VanDerWaalsContact O-CA 3.28Å; V576-P580 WeakPolarHBondContact O-CA 3.49Å; V576-P580 VanDerWaalsContact O-N 3.09Å; V576-W583 HydrophobicContact CB-CE3 4.47Å; V576-W583 HydrophobicContact CG1-CB 4.33Å; V576-W583 HydrophobicContact CG1-CE3 3.86Å; V576-W583 HydrophobicContact CG2-CE3 3.81Å; V576-W583 HydrophobicContact CG2-CZ3 4.39Å; V576-V586 HydrophobicContact CG2-CB 4.13Å; V576-V586 HydrophobicContact CG2-CG1 4.17Å; V576-V586 HydrophobicContact CG2-CG2 3.73Å
577	Q	79.7	Confident	74.2	Confident	125 Å²	125	55.8 Å²	55.8	58%	0.584	27%	0.272	S	S	*	.	H	α-helix	trans	-62.5	-38.6	175.5	-75.5	175.5	-25.8	0	0	112.3	R573 K574	R573-Q577 WeakPolarHBondContact O-CB 3.25Å; R573-Q577 VanDerWaalsContact O-CG 3.26Å; R573-Q577 WeakPolarHBondContact O-CG 3.29Å; R573-Q577 PolarHBondContact O-N 3.04Å; K574-Q577 PolarHBondContact O-N 3.46Å
578	K	82	Confident	76.1	Confident	143 Å²	143	53.8 Å²	53.8	62%	0.622	26%	0.259	S	S	*	.	H	α-helix	trans	-72.8	-38.5	177.2	-172.1	179.6	178.6	-172.5	0	112.1	K574 L575 V576	K574-K578 WeakPolarHBondContact O-CB 3.45Å; K574-K578 PolarHBondContact O-N 3.4Å; L575-K578 PolarHBondContact O-N 2.91Å; V576-K578 VanDerWaalsContact C-N 3.31Å; V576-K578 PolarHBondContact O-N 2.91Å
579	N	81.3	Confident	77.8	Confident	40 Å²	40	50.4 Å²	50.4	21%	0.214	24%	0.235	C	C	.	.			trans	-133.4	87	-179.1	-67.3	-44	0	0	0	110.5	L575 V576 D581 C582 Y628	L575-N579 PolarHBondContact O-N 2.78Å; V576-N579 CarbonylContact O-C 3.56Å; V576-N579 PolarHBondContact O-N 3.01Å; N579-D581 PolarHBondContact O-N 3.29Å; N579-C582 HydrophobicContact CB-CB 4.27Å; N579-C582 WeakPolarHBondContact CB-SG 3.11Å; N579-C582 VanDerWaalsContact O-CB 3.25Å; N579-C582 WeakPolarHBondContact O-CB 3.44Å; N579-C582 PolarHBondContact O-N 3.36Å; N579-Y628 WeakPolarHBondContact ND2-CD1 3.47Å; N579-Y628 VanDerWaalsContact ND2-CE1 3.31Å; N579-Y628 WeakPolarHBondContact ND2-CE1 3.48Å
580	P	75.5	Confident	79.1	Confident	73 Å²	73	48.4 Å²	48.4	47%	0.474	23%	0.225	S	C	.	.	G	3₁₀ helix	trans	-59.7	-30.6	-177.8	-27.4	35.7	0	0	0	114	V576 C582 W583	V576-P580 VanDerWaalsContact O-CA 3.28Å; V576-P580 WeakPolarHBondContact O-CA 3.49Å; V576-P580 VanDerWaalsContact O-N 3.09Å; P580-C582 PolarHBondContact O-N 2.64Å; P580-C582 VanDerWaalsContact O-N 3.08Å; P580-W583 PolarHBondContact O-N 2.97Å
581	D	71.1	Confident	80.7	Confident	36 Å²	36	40.4 Å²	40.4	19%	0.193	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-66.9	-5.9	177.6	-65.9	-23.2	0	0	0	112.9	R495 N579 R625	R495-D581 IonicContact CZ-OD1 3.23Å; R495-D581 IonicContact NH1-OD1 3.69Å; R495-D581 PolarHBondContact NH1-OD1 2.81Å; R495-D581 IonicContact NH2-OD1 3.54Å; R495-D581 PolarHBondContact NH2-OD1 2.94Å; N579-D581 PolarHBondContact O-N 3.29Å; D581-R625 IonicContact OD2-CZ 2.73Å; D581-R625 IonicContact OD2-NH1 3.29Å; D581-R625 PolarHBondContact OD2-NH1 2.81Å
582	C	79.1	Confident	81.7	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-92.4	0.5	178.7	-66	0	0	0	0	115	N579 P580 D584 T585 V586 R625 C629	N579-C582 HydrophobicContact CB-CB 4.27Å; N579-C582 WeakPolarHBondContact CB-SG 3.11Å; N579-C582 VanDerWaalsContact O-CB 3.25Å; N579-C582 WeakPolarHBondContact O-CB 3.44Å; N579-C582 PolarHBondContact O-N 3.36Å; P580-C582 PolarHBondContact O-N 2.64Å; P580-C582 VanDerWaalsContact O-N 3.08Å; C582-D584 VanDerWaalsContact C-N 3.32Å; C582-D584 PolarHBondContact O-N 2.91Å; C582-T585 WeakPolarHBondContact O-CB 3.32Å; C582-T585 PolarHBondContact O-N 2.93Å; C582-V586 PolarHBondContact O-N 3.08Å; C582-R625 PolarHBondContact SG-O 3.38Å; C582-C629 HydrophobicContact CB-CB 3.35Å; C582-C629 WeakPolarHBondContact CB-SG 3.13Å; C582-C629 WeakPolarHBondContact SG-CB 3.41Å; C582-C629 CovalentContact SG-SG 2Å; C582-C629 PolarHBondContact SG-SG 3.42Å
583	W	82	Confident	82.2	Confident	23 Å²	23	39 Å²	39	9%	0.087	18%	0.183	C	C	.	.	H	α-helix	trans	-59.9	-40.8	-175.3	173.1	-110.9	0	0	0	112.8	E492 A564 L565 V576 P580 T585 V586 L587	E492-W583 VanDerWaalsContact CD-CD1 3.45Å; E492-W583 VanDerWaalsContact OE1-CD1 3.28Å; E492-W583 PolarHBondContact OE2-NE1 3.09Å; A564-W583 HydrophobicContact CB-CH2 3.7Å; A564-W583 HydrophobicContact CB-CZ3 3.77Å; L565-W583 HydrophobicContact CD2-CZ3 4.31Å; L565-W583 HydrophobicContact CG-CH2 4.46Å; V576-W583 HydrophobicContact CB-CE3 4.47Å; V576-W583 HydrophobicContact CG1-CB 4.33Å; V576-W583 HydrophobicContact CG1-CE3 3.86Å; V576-W583 HydrophobicContact CG2-CE3 3.81Å; V576-W583 HydrophobicContact CG2-CZ3 4.39Å; P580-W583 PolarHBondContact O-N 2.97Å; W583-T585 VanDerWaalsContact C-N 3.29Å; W583-T585 PolarHBondContact O-N 2.95Å; W583-V586 PolarHBondContact O-N 3.03Å; W583-L587 WeakPolarHBondContact O-CB 3.32Å; W583-L587 PolarHBondContact O-N 3.08Å
584	D	85.4	Confident	82.6	Confident	10 Å²	10	33.2 Å²	33.2	5%	0.053	16%	0.162	C	C	.	.	H	α-helix	trans	-57.4	-42.2	175.8	58.3	7.5	0	0	0	112.4	G551 I554 C582 L587 N588 R626	G551-D584 PolarHBondContact N-OD2 2.64Å; I554-D584 HydrophobicContact CD1-CB 3.84Å; C582-D584 VanDerWaalsContact C-N 3.32Å; C582-D584 PolarHBondContact O-N 2.91Å; D584-L587 PolarHBondContact O-N 3.48Å; D584-N588 PolarHBondContact O-N 2.86Å; D584-N588 PolarHBondContact O-ND2 3.46Å; D584-R626 IonicContact OD1-NE 3.91Å; D584-R626 PolarHBondContact OD1-NE 2.87Å; D584-R626 IonicContact OD2-CZ 3.52Å; D584-R626 IonicContact OD2-NE 2.8Å; D584-R626 PolarHBondContact OD2-NE 3.47Å; D584-R626 IonicContact OD2-NH2 3.19Å; D584-R626 PolarHBondContact OD2-NH2 3.23Å
585	T	87.7	Confident	82.8	Confident	1 Å²	1	26.4 Å²	26.4	1%	0.006	13%	0.133	C	C	.	.	H	α-helix	trans	-67.1	-44.6	-179.7	-54.2	0	0	0	0	110.3	C582 W583 Y589 F630 L633	C582-T585 WeakPolarHBondContact O-CB 3.32Å; C582-T585 PolarHBondContact O-N 2.93Å; W583-T585 VanDerWaalsContact C-N 3.29Å; W583-T585 PolarHBondContact O-N 2.95Å; T585-Y589 WeakPolarHBondContact O-CB 3.47Å; T585-Y589 PolarHBondContact O-N 3.43Å; T585-Y589 VanDerWaalsContact O-N 3.08Å; T585-F630 HydrophobicContact CG2-CB 3.93Å; T585-L633 HydrophobicContact CG2-CD1 4.03Å
586	V	86.3	Confident	82.7	Confident	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-62.4	-43.5	175.1	170.8	0	0	0	0	111.1	T572 L575 V576 C582 W583 Y589 I590 L633	T572-V586 HydrophobicContact CG2-CG1 4.48Å; L575-V586 HydrophobicContact CD2-CG2 4.38Å; V576-V586 HydrophobicContact CG2-CB 4.13Å; V576-V586 HydrophobicContact CG2-CG1 4.17Å; V576-V586 HydrophobicContact CG2-CG2 3.73Å; C582-V586 PolarHBondContact O-N 3.08Å; W583-V586 PolarHBondContact O-N 3.03Å; V586-Y589 WeakPolarHBondContact O-CB 3.06Å; V586-Y589 PolarHBondContact O-N 3.22Å; V586-I590 HydrophobicContact CG1-CD1 3.53Å; V586-I590 HydrophobicContact CG1-CG1 4.37Å; V586-I590 VanDerWaalsContact O-CG1 3.31Å; V586-I590 WeakPolarHBondContact O-CG1 3.22Å; V586-I590 PolarHBondContact O-N 3.11Å; V586-L633 HydrophobicContact CB-CD1 4.46Å; V586-L633 HydrophobicContact CG2-CD1 3.86Å; V586-L633 HydrophobicContact CG2-CD2 4.14Å; V586-L633 HydrophobicContact CG2-CG 4.41Å
587	L	86.7	Confident	82.8	Confident	1 Å²	1	27 Å²	27	1%	0.005	14%	0.142	C	C	.	.	H	α-helix	trans	-63.3	-49.1	179.7	-175.7	67.8	0	0	0	111.4	L518 I554 F556 W583 D584 Y589 I590 V591	L518-L587 HydrophobicContact CD1-CD2 4.32Å; L518-L587 HydrophobicContact CD1-CG 3.98Å; L518-L587 HydrophobicContact CD2-CD1 4.25Å; L518-L587 HydrophobicContact CD2-CD2 3.76Å; L518-L587 HydrophobicContact CD2-CG 3.76Å; I554-L587 HydrophobicContact CG2-CD2 4.06Å; F556-L587 HydrophobicContact CB-CD2 4.26Å; F556-L587 HydrophobicContact CD1-CD2 3.48Å; F556-L587 VanDerWaalsContact CD1-CD2 3.48Å; F556-L587 HydrophobicContact CD2-CD1 4.1Å; F556-L587 HydrophobicContact CD2-CD2 4.37Å; F556-L587 HydrophobicContact CE1-CD2 3.77Å; F556-L587 HydrophobicContact CE2-CD1 4.37Å; F556-L587 HydrophobicContact CG-CD1 4.25Å; F556-L587 HydrophobicContact CG-CD2 3.81Å; F556-L587 HydrophobicContact CZ-CD2 4.36Å; W583-L587 WeakPolarHBondContact O-CB 3.32Å; W583-L587 PolarHBondContact O-N 3.08Å; D584-L587 PolarHBondContact O-N 3.48Å; L587-Y589 VanDerWaalsContact C-N 3.26Å; L587-Y589 PolarHBondContact O-N 3.42Å; L587-I590 PolarHBondContact O-N 2.88Å; L587-V591 HydrophobicContact CD1-CG2 4.12Å; L587-V591 HydrophobicContact CG-CG2 4.48Å; L587-V591 WeakPolarHBondContact O-CB 3.49Å; L587-V591 WeakPolarHBondContact O-CG2 3.11Å; L587-V591 PolarHBondContact O-N 3.06Å
588	N	90.4	Very high	83.2	Confident	5 Å²	5	21.8 Å²	21.8	3%	0.027	12%	0.121	C	C	.	.	H	α-helix	trans	-55.3	-44.3	174.7	-82.8	-90.2	0	0	0	111.4	L518 L548 L549 D584 A592 L642	L518-N588 VanDerWaalsContact CD1-CA 3.5Å; L518-N588 HydrophobicContact CD1-CB 4.19Å; L548-N588 WeakPolarHBondContact CA-OD1 3.28Å; L548-N588 HydrophobicContact CB-CB 3.96Å; L549-N588 PolarHBondContact N-ND2 3.21Å; L549-N588 PolarHBondContact N-OD1 3.13Å; L549-N588 PolarHBondContact O-ND2 3.1Å; D584-N588 PolarHBondContact O-N 2.86Å; D584-N588 PolarHBondContact O-ND2 3.46Å; N588-A592 WeakPolarHBondContact O-CB 3.29Å; N588-A592 PolarHBondContact O-N 2.97Å; N588-L642 HydrophobicContact CB-CD2 4.04Å; N588-L642 WeakPolarHBondContact O-CD2 2.95Å
589	Y	87.7	Confident	83.5	Confident	12 Å²	12	15.4 Å²	15.4	5%	0.047	10%	0.095	C	C	.	.	H	α-helix	trans	-62.4	-49.4	-179.2	-151	-91.2	0	0	0	113	T585 V586 L587 E593 L633 L634 S637 Y639 L640 P641 L642	T585-Y589 WeakPolarHBondContact O-CB 3.47Å; T585-Y589 PolarHBondContact O-N 3.43Å; T585-Y589 VanDerWaalsContact O-N 3.08Å; V586-Y589 WeakPolarHBondContact O-CB 3.06Å; V586-Y589 PolarHBondContact O-N 3.22Å; L587-Y589 VanDerWaalsContact C-N 3.26Å; L587-Y589 PolarHBondContact O-N 3.42Å; Y589-E593 WeakPolarHBondContact O-CB 3.39Å; Y589-E593 PolarHBondContact O-N 3.3Å; Y589-L633 HydrophobicContact CD1-CB 4.42Å; Y589-L633 HydrophobicContact CD2-CB 4.07Å; Y589-L633 HydrophobicContact CD2-CD1 4.19Å; Y589-L633 HydrophobicContact CE1-CB 4.32Å; Y589-L633 HydrophobicContact CE2-CB 3.97Å; Y589-L633 HydrophobicContact CG-CB 4.26Å; Y589-L633 HydrophobicContact CG-CD1 4.13Å; Y589-L633 PolarHBondContact OH-O 3.11Å; Y589-L634 WeakPolarHBondContact OH-CA 3.15Å; Y589-S637 PolarHBondContact OH-OG 2.97Å; Y589-Y639 PolarHBondContact OH-O 3.01Å; Y589-L640 HydrophobicContact CE2-CD1 4.49Å; Y589-P641 HydrophobicContact CD1-CG 3.69Å; Y589-P641 HydrophobicContact CD2-CG 4.04Å; Y589-P641 HydrophobicContact CE1-CG 3.53Å; Y589-P641 HydrophobicContact CE2-CG 3.89Å; Y589-P641 HydrophobicContact CG-CG 3.96Å; Y589-P641 WeakPolarHBondContact OH-CD 3.37Å; Y589-L642 HydrophobicContact CD2-CD1 4.5Å; Y589-L642 HydrophobicContact CD2-CG 4.29Å
590	I	84.6	Confident	84	Confident	10 Å²	10	13.7 Å²	13.7	5%	0.051	9%	0.086	C	C	.	.	H	α-helix	trans	-68.5	-44.8	-177.1	-69.2	169.7	0	0	0	110.2	V563 A564 L569 V586 L587 E593 I594	V563-I590 HydrophobicContact CG1-CG2 4.12Å; A564-I590 HydrophobicContact CB-CD1 3.35Å; L569-I590 HydrophobicContact CD1-CD1 3.59Å; L569-I590 HydrophobicContact CD1-CG1 3.85Å; L569-I590 HydrophobicContact CD1-CG2 4.46Å; V586-I590 HydrophobicContact CG1-CD1 3.53Å; V586-I590 HydrophobicContact CG1-CG1 4.37Å; V586-I590 VanDerWaalsContact O-CG1 3.31Å; V586-I590 WeakPolarHBondContact O-CG1 3.22Å; V586-I590 PolarHBondContact O-N 3.11Å; L587-I590 PolarHBondContact O-N 2.88Å; I590-E593 PolarHBondContact O-N 3.35Å; I590-I594 HydrophobicContact CG2-CD1 3.54Å; I590-I594 HydrophobicContact CG2-CG1 4.26Å; I590-I594 WeakPolarHBondContact O-CB 3.25Å; I590-I594 WeakPolarHBondContact O-CG1 3.44Å; I590-I594 PolarHBondContact O-N 3.02Å
591	V	87.2	Confident	84.6	Confident	4 Å²	4	10.3 Å²	10.3	2%	0.024	6%	0.064	C	C	.	.	H	α-helix	trans	-66.2	-40.1	178.8	178.2	0	0	0	0	110.9	H516 L518 Y560 L587 E593 I594 T595	H516-V591 WeakPolarHBondContact O-CG1 3.3Å; L518-V591 HydrophobicContact CD1-CB 4.14Å; L518-V591 HydrophobicContact CD1-CG2 4.3Å; L518-V591 HydrophobicContact CD2-CB 4.23Å; L518-V591 HydrophobicContact CD2-CG1 4.31Å; L518-V591 HydrophobicContact CD2-CG2 3.73Å; L518-V591 HydrophobicContact CG-CB 3.97Å; L518-V591 HydrophobicContact CG-CG1 3.95Å; L518-V591 HydrophobicContact CG-CG2 4.04Å; Y560-V591 HydrophobicContact CD1-CG2 3.7Å; Y560-V591 HydrophobicContact CD2-CG2 3.46Å; Y560-V591 VanDerWaalsContact CD2-CG2 3.46Å; Y560-V591 HydrophobicContact CE1-CG1 4.39Å; Y560-V591 HydrophobicContact CE1-CG2 3.94Å; Y560-V591 HydrophobicContact CE2-CB 4.5Å; Y560-V591 HydrophobicContact CE2-CG1 3.95Å; Y560-V591 HydrophobicContact CE2-CG2 3.71Å; Y560-V591 HydrophobicContact CG-CG2 3.43Å; Y560-V591 VanDerWaalsContact CG-CG2 3.43Å; L587-V591 HydrophobicContact CD1-CG2 4.12Å; L587-V591 HydrophobicContact CG-CG2 4.48Å; L587-V591 WeakPolarHBondContact O-CB 3.49Å; L587-V591 WeakPolarHBondContact O-CG2 3.11Å; L587-V591 PolarHBondContact O-N 3.06Å; V591-E593 VanDerWaalsContact C-N 3.35Å; V591-E593 PolarHBondContact O-N 3.26Å; V591-I594 PolarHBondContact O-N 2.96Å; V591-T595 HydrophobicContact CG1-CG2 3.95Å; V591-T595 VanDerWaalsContact O-CB 3.27Å; V591-T595 WeakPolarHBondContact O-CB 3.35Å; V591-T595 VanDerWaalsContact O-CG2 3.27Å; V591-T595 WeakPolarHBondContact O-CG2 3.3Å; V591-T595 PolarHBondContact O-N 3.22Å; V591-T595 PolarHBondContact O-OG1 2.83Å
592	A	86.6	Confident	85.4	Confident	6 Å²	6	8.6 Å²	8.6	5%	0.05	6%	0.055	C	C	.	.	H	α-helix	trans	-63.5	-39.4	173.9	0	0	0	0	0	112.2	N588 G596 P641 L642	N588-A592 WeakPolarHBondContact O-CB 3.29Å; N588-A592 PolarHBondContact O-N 2.97Å; A592-G596 WeakPolarHBondContact O-CA 3.23Å; A592-G596 PolarHBondContact O-N 2.8Å; A592-P641 HydrophobicContact CB-CB 4.36Å; A592-L642 HydrophobicContact CB-CD2 3.86Å
593	E	81.8	Confident	85.4	Confident	22 Å²	22	11.9 Å²	11.9	10%	0.103	7%	0.07	C	C	.	.	H	α-helix	trans	-65.4	-48.3	176.2	173.4	52.6	-151.7	0	0	111.9	R392 K400 Y433 Y589 I590 V591 Y639 P641	R392-E593 PolarHBondContact NH1-O 3.47Å; K400-E593 IonicContact NZ-OE1 2.69Å; K400-E593 PolarHBondContact NZ-OE1 2.98Å; K400-E593 VanDerWaalsContact NZ-OE1 3.1Å; Y433-E593 WeakPolarHBondContact OH-CG 3.48Å; Y433-E593 PolarHBondContact OH-OE1 3.08Å; Y589-E593 WeakPolarHBondContact O-CB 3.39Å; Y589-E593 PolarHBondContact O-N 3.3Å; I590-E593 PolarHBondContact O-N 3.35Å; V591-E593 VanDerWaalsContact C-N 3.35Å; V591-E593 PolarHBondContact O-N 3.26Å; E593-Y639 PolarHBondContact OE1-OH 3.12Å; E593-Y639 WeakPolarHBondContact OE2-CE2 3.44Å; E593-Y639 VanDerWaalsContact OE2-CZ 3.28Å; E593-Y639 PolarHBondContact OE2-OH 3.13Å; E593-P641 HydrophobicContact CB-CB 4.03Å; E593-P641 HydrophobicContact CB-CG 4.36Å
594	I	81.8	Confident	84.6	Confident	2 Å²	2	12.2 Å²	12.2	1%	0.01	8%	0.078	C	C	.	.	H	α-helix	trans	-62.3	-51	179.8	-65.5	167.3	0	0	0	108.8	R392 A429 Y433 F447 Y560 V563 I590 V591	R392-I594 PolarHBondContact NH1-O 3.2Å; R392-I594 PolarHBondContact NH2-O 3.42Å; A429-I594 HydrophobicContact CB-CG2 3.69Å; Y433-I594 HydrophobicContact CD1-CG1 3.69Å; Y433-I594 HydrophobicContact CD2-CB 4.07Å; Y433-I594 HydrophobicContact CD2-CG1 4.04Å; Y433-I594 HydrophobicContact CD2-CG2 3.81Å; Y433-I594 HydrophobicContact CE1-CG1 4.08Å; Y433-I594 HydrophobicContact CE2-CB 4.44Å; Y433-I594 HydrophobicContact CE2-CG1 4.39Å; Y433-I594 HydrophobicContact CG-CB 4.16Å; Y433-I594 HydrophobicContact CG-CG1 3.68Å; Y433-I594 HydrophobicContact CG-CG2 3.89Å; F447-I594 HydrophobicContact CE1-CG2 3.9Å; F447-I594 HydrophobicContact CE2-CG2 4.41Å; F447-I594 HydrophobicContact CZ-CG2 3.53Å; Y560-I594 HydrophobicContact CD1-CD1 3.75Å; Y560-I594 HydrophobicContact CE1-CB 4.46Å; Y560-I594 HydrophobicContact CE1-CD1 3.84Å; Y560-I594 HydrophobicContact CE1-CG2 4.28Å; V563-I594 HydrophobicContact CB-CD1 4.4Å; V563-I594 HydrophobicContact CG1-CD1 3.96Å; V563-I594 HydrophobicContact CG2-CD1 4.45Å; I590-I594 HydrophobicContact CG2-CD1 3.54Å; I590-I594 HydrophobicContact CG2-CG1 4.26Å; I590-I594 WeakPolarHBondContact O-CB 3.25Å; I590-I594 WeakPolarHBondContact O-CG1 3.44Å; I590-I594 PolarHBondContact O-N 3.02Å; V591-I594 PolarHBondContact O-N 2.96Å
595	T	81.8	Confident	83.3	Confident	7 Å²	7	14.1 Å²	14.1	4%	0.043	10%	0.1	C	C	.	.	H	α-helix	trans	-91	-24.1	-166.3	69.9	0	0	0	0	115.9	R392 I428 F447 H516 Y560 V591 S597	R392-T595 PolarHBondContact NH2-O 3.12Å; I428-T595 HydrophobicContact CG2-CG2 3.29Å; F447-T595 HydrophobicContact CE1-CG2 3.87Å; H516-T595 HydrophobicContact CB-CG2 4.36Å; H516-T595 VanDerWaalsContact O-CG2 3.3Å; H516-T595 WeakPolarHBondContact O-CG2 3.35Å; Y560-T595 WeakPolarHBondContact OH-CG2 3.43Å; V591-T595 HydrophobicContact CG1-CG2 3.95Å; V591-T595 VanDerWaalsContact O-CB 3.27Å; V591-T595 WeakPolarHBondContact O-CB 3.35Å; V591-T595 VanDerWaalsContact O-CG2 3.27Å; V591-T595 WeakPolarHBondContact O-CG2 3.3Å; V591-T595 PolarHBondContact O-N 3.22Å; V591-T595 PolarHBondContact O-OG1 2.83Å; T595-S597 PolarHBondContact O-N 3.4Å; T595-S597 WeakPolarHBondContact OG1-CB 3.45Å; T595-S597 PolarHBondContact OG1-N 3.43Å; T595-S597 VanDerWaalsContact OG1-N 3.09Å
596	G	78.6	Confident	81.3	Confident	23 Å²	23	23.2 Å²	23.2	24%	0.237	14%	0.139	C	C	.	.			trans	62	10.8	-167.5	0	0	0	0	0	113.8	A592	A592-G596 WeakPolarHBondContact O-CA 3.23Å; A592-G596 PolarHBondContact O-N 2.8Å
597	S	81.8	Confident	79	Confident	23 Å²	23	27.9 Å²	27.9	16%	0.161	18%	0.178	C	C	.	.			trans	-104.3	149.6	-178.2	-62.5	0	0	0	0	110.8	T595	T595-S597 PolarHBondContact O-N 3.4Å; T595-S597 WeakPolarHBondContact OG1-CB 3.45Å; T595-S597 PolarHBondContact OG1-N 3.43Å; T595-S597 VanDerWaalsContact OG1-N 3.09Å
598	A	87.2	Confident	76.7	Confident	16 Å²	16	28.6 Å²	28.6	13%	0.132	18%	0.184	C	C	.	.			trans	-71.6	155.1	168.1	0	0	0	0	0	110.8	R517 R643	R517-A598 WeakPolarHBondContact CD-O 3.16Å; A598-R643 HydrophobicContact CB-CB 3.83Å
599	A	89.9	Confident	74	Confident	9 Å²	9	30.8 Å²	30.8	7%	0.074	20%	0.2	C	C	.	.			trans	-67.3	167.1	167.6	0	0	0	0	0	111.2	L518 Y546 L549	L518-A599 HydrophobicContact CB-CB 4.03Å; Y546-A599 WeakPolarHBondContact CE2-O 3.21Å; Y546-A599 PolarHBondContact OH-O 3.13Å; L549-A599 HydrophobicContact CD1-CB 3.63Å; L549-A599 HydrophobicContact CD2-CB 4.37Å; L549-A599 HydrophobicContact CG-CB 3.6Å
600	V	90.3	Very high	71.2	Confident	5 Å²	5	40.2 Å²	40.2	3%	0.03	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	123.8	-178.3	-176.7	0	0	0	0	109.9	L510 R517 L518 I519 G520 H649	L510-V600 HydrophobicContact CD2-CG1 3.95Å; R517-V600 HydrophobicContact CB-CG2 4.1Å; R517-V600 HydrophobicContact CG-CG2 4.46Å; L518-V600 PolarHBondContact O-N 3.31Å; I519-V600 WeakPolarHBondContact CA-O 3.28Å; I519-V600 HydrophobicContact CG1-CB 4.31Å; G520-V600 PolarHBondContact N-O 3.27Å; G520-V600 VanDerWaalsContact N-O 3.11Å; V600-H649 WeakPolarHBondContact CG1-CD2 3.38Å
601	L	89.5	Confident	68.6	Low	1 Å²	1	42.5 Å²	42.5	1%	0.005	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	124.3	177.7	-178.1	65.4	0	0	0	110.9	A523 Y546 L549 R648 H649	A523-L601 HydrophobicContact CB-CD1 4.12Å; A523-L601 HydrophobicContact CB-CD2 4.37Å; Y546-L601 HydrophobicContact CD1-CB 4.15Å; Y546-L601 HydrophobicContact CD1-CD2 3.93Å; Y546-L601 HydrophobicContact CD2-CB 4.46Å; Y546-L601 HydrophobicContact CE1-CB 3.63Å; Y546-L601 HydrophobicContact CE1-CD2 4.14Å; Y546-L601 HydrophobicContact CE2-CB 3.98Å; Y546-L601 HydrophobicContact CG-CD2 4.41Å; Y546-L601 PolarHBondContact OH-N 3.21Å; Y546-L601 VanDerWaalsContact OH-N 3.11Å; L549-L601 HydrophobicContact CD2-CB 4.29Å; L549-L601 HydrophobicContact CD2-CD1 4.06Å; L601-R648 HydrophobicContact CD2-CG 4.44Å; L601-R648 WeakPolarHBondContact O-CA 3.36Å; L601-H649 PolarHBondContact O-N 2.99Å
602	V	86.9	Confident	66.3	Low	1 Å²	1	46.7 Å²	46.7	1%	0.006	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	124.8	171.6	176.1	0	0	0	0	109	T503 Y506 A507 L510 I519 G520 F521 H649 V651	T503-V602 HydrophobicContact CG2-CG1 4.2Å; Y506-V602 HydrophobicContact CD1-CG1 4.05Å; Y506-V602 HydrophobicContact CE1-CG1 4.35Å; A507-V602 HydrophobicContact CB-CG2 4.3Å; L510-V602 HydrophobicContact CD2-CG2 3.94Å; I519-V602 HydrophobicContact CG2-CG2 3.5Å; G520-V602 PolarHBondContact O-N 2.82Å; F521-V602 HydrophobicContact CD1-CB 4Å; F521-V602 HydrophobicContact CD1-CG1 4.17Å; F521-V602 HydrophobicContact CE1-CB 4.04Å; F521-V602 HydrophobicContact CE1-CG1 4.02Å; V602-H649 WeakPolarHBondContact CA-O 3.34Å; V602-V651 HydrophobicContact CG1-CG2 3.6Å
603	Q	79.2	Confident	63.5	Low	68 Å²	68	50.2 Å²	50.2	32%	0.318	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	106.8	177.4	-72.4	-176	-56.9	0	0	110.3	R648 H649 V651	Q603-R648 HydrophobicContact CG-CB 4.18Å; Q603-H649 PolarHBondContact N-O 3.3Å; Q603-V651 WeakPolarHBondContact O-CG2 3.39Å; Q603-V651 PolarHBondContact O-N 3.26Å
604	A	65.2	Low	60.9	Low	30 Å²	30	56.1 Å²	56.1	25%	0.248	33%	0.329	C	S	.	.			trans	-68.4	133.3	164.1	0	0	0	0	0	108.8	T503 A608	T503-A604 HydrophobicContact CG2-CB 4.05Å; A604-A608 HydrophobicContact CB-CB 3.67Å
605	G	57.8	Low	58.3	Low	51 Å²	51	58.7 Å²	58.7	53%	0.526	35%	0.347	S	S	.	.			trans	-53.3	158.5	-179.5	0	0	0	0	0	113.2	A607 A608	G605-A607 PolarHBondContact O-N 3.13Å; G605-A608 PolarHBondContact O-N 2.94Å
606	K	46.6	Very low	56	Low	191 Å²	191	63.6 Å²	63.6	83%	0.83	38%	0.381	S	S	*	.	H	α-helix	trans	-48.2	-23.3	-173.5	-75.2	-179.4	176.1	176.9	0	115.5
607	A	37.1	Very low	53.9	Low	98 Å²	98	65 Å²	65	81%	0.81	40%	0.396	S	S	*	.	H	α-helix	trans	-66.1	-31.1	175.1	0	0	0	0	0	113.9	G605	G605-A607 PolarHBondContact O-N 3.13Å
608	A	38.4	Very low	52.2	Low	16 Å²	16	67.5 Å²	67.5	13%	0.132	41%	0.412	C	S	.	.	H	α-helix	trans	-83.2	-33.6	179.1	0	0	0	0	0	112.8	P500 A604 G605 R610 S611	P500-A608 HydrophobicContact CG-CB 4.43Å; A604-A608 HydrophobicContact CB-CB 3.67Å; G605-A608 PolarHBondContact O-N 2.94Å; A608-R610 VanDerWaalsContact C-N 3.31Å; A608-R610 PolarHBondContact O-N 2.88Å; A608-S611 PolarHBondContact O-N 2.98Å; A608-S611 VanDerWaalsContact O-N 3.11Å; A608-S611 PolarHBondContact O-OG 3.36Å
609	S	35	Very low	50.6	Low	52 Å²	52	71.1 Å²	71.1	36%	0.364	43%	0.426	S	S	.	.	H	α-helix	trans	-57.7	-37.3	-179	159.5	0	0	0	0	113.2	S611 M612	S609-S611 PolarHBondContact O-N 2.7Å; S609-M612 PolarHBondContact O-N 3.18Å
610	R	28.9	Very low	49	Very low	210 Å²	210	77.6 Å²	77.6	79%	0.792	45%	0.452	S	S	*	.	H	α-helix	trans	-66.2	-19.5	178.2	-84.6	-177	170.6	178.9	-2.9	114.7	A608 S613	A608-R610 VanDerWaalsContact C-N 3.31Å; A608-R610 PolarHBondContact O-N 2.88Å; R610-S613 PolarHBondContact O-OG 3.25Å
611	S	30	Very low	47.7	Very low	58 Å²	58	79.5 Å²	79.5	41%	0.406	47%	0.466	S	S	.	.	H	α-helix	trans	-85.6	-16.6	178.1	74.7	0	0	0	0	113.8	S498 A608 S609	S498-S611 PolarHBondContact OG-OG 3.3Å; A608-S611 PolarHBondContact O-N 2.98Å; A608-S611 VanDerWaalsContact O-N 3.11Å; A608-S611 PolarHBondContact O-OG 3.36Å; S609-S611 PolarHBondContact O-N 2.7Å
612	M	37.1	Very low	46.9	Very low	91 Å²	91	80.7 Å²	80.7	45%	0.448	47%	0.474	S	S	.	.	H	α-helix	trans	-89.7	-10.2	-178.4	-65.8	-165.6	-59.3	0	0	113.8	S609	S609-M612 PolarHBondContact O-N 3.18Å
613	S	28	Very low	46.7	Very low	80 Å²	80	82.3 Å²	82.3	56%	0.559	48%	0.483	S	S	*	.			trans	-93.5	6.8	-172.3	58	0	0	0	0	115.5	R610 S615	R610-S613 PolarHBondContact O-OG 3.25Å; S613-S615 PolarHBondContact O-N 3.32Å; S613-S615 VanDerWaalsContact O-N 3.16Å
614	L	27	Very low	47	Very low	147 Å²	147	85 Å²	85	77%	0.77	50%	0.499	S	S	*	.			trans	-86.7	81.3	174.8	-90.6	89.6	0	0	0	112.5
615	S	29	Very low	47.8	Very low	56 Å²	56	88.4 Å²	88.4	39%	0.392	51%	0.505	S	S	.	.			trans	162.2	110.4	130.3	53.2	0	0	0	0	109.9	S613 G617 P618	S613-S615 PolarHBondContact O-N 3.32Å; S613-S615 VanDerWaalsContact O-N 3.16Å; S615-G617 PolarHBondContact O-N 3.12Å; S615-P618 VanDerWaalsContact CB-CD 3.42Å; S615-P618 WeakPolarHBondContact O-CD 3.43Å; S615-P618 VanDerWaalsContact OG-CD 3.25Å; S615-P618 WeakPolarHBondContact OG-CD 3.2Å; S615-P618 VanDerWaalsContact OG-CG 3.25Å; S615-P618 WeakPolarHBondContact OG-CG 3.23Å
616	S	32.8	Very low	49.2	Very low	109 Å²	109	87.3 Å²	87.3	76%	0.762	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-9.5	-179.4	48.6	0	0	0	0	114.3
617	G	33.7	Very low	51.2	Low	54 Å²	54	79.1 Å²	79.1	56%	0.557	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.2	-50.4	179.5	0	0	0	0	0	115.3	S615 Q619	S615-G617 PolarHBondContact O-N 3.12Å; G617-Q619 PolarHBondContact O-N 3.32Å
618	P	47.1	Very low	53.7	Low	74 Å²	74	78.7 Å²	78.7	48%	0.481	43%	0.428	S	S	.	.	H	α-helix	trans	-66.6	-32.8	-178.6	-25.3	36.6	0	0	0	114.3	S615 S621 S622	S615-P618 VanDerWaalsContact CB-CD 3.42Å; S615-P618 WeakPolarHBondContact O-CD 3.43Å; S615-P618 VanDerWaalsContact OG-CD 3.25Å; S615-P618 WeakPolarHBondContact OG-CD 3.2Å; S615-P618 VanDerWaalsContact OG-CG 3.25Å; S615-P618 WeakPolarHBondContact OG-CG 3.23Å; P618-S621 PolarHBondContact O-N 3.11Å; P618-S621 PolarHBondContact O-OG 3.44Å; P618-S622 PolarHBondContact O-N 3.06Å
619	Q	52.9	Low	56.1	Low	92 Å²	92	78 Å²	78	43%	0.43	42%	0.422	S	S	.	.	H	α-helix	trans	-65.9	-44	-174.2	-75.3	-174.1	-10.1	0	0	113.3	G617 S621 S622 L623	G617-Q619 PolarHBondContact O-N 3.32Å; Q619-S621 VanDerWaalsContact C-N 3.31Å; Q619-S621 PolarHBondContact O-N 3.09Å; Q619-S622 WeakPolarHBondContact O-CA 3.37Å; Q619-S622 WeakPolarHBondContact O-CB 3.44Å; Q619-S622 PolarHBondContact O-N 2.98Å; Q619-L623 PolarHBondContact O-N 2.98Å
620	K	56.3	Low	58.7	Low	146 Å²	146	75.5 Å²	75.5	64%	0.635	40%	0.404	S	S	*	.	H	α-helix	trans	-59.1	-41.3	176.9	-76.3	-173.5	178.5	179.6	0	112.5	S622 L623 L624	K620-S622 PolarHBondContact O-N 2.72Å; K620-L623 PolarHBondContact O-N 2.71Å; K620-L624 PolarHBondContact O-N 3.06Å; K620-L624 VanDerWaalsContact O-N 3.15Å
621	S	63	Low	61.6	Low	45 Å²	45	68 Å²	68	32%	0.315	38%	0.38	S	S	.	.	H	α-helix	trans	-64	-27.9	176.9	84.2	0	0	0	0	112.8	P618 Q619 R625	P618-S621 PolarHBondContact O-N 3.11Å; P618-S621 PolarHBondContact O-OG 3.44Å; Q619-S621 VanDerWaalsContact C-N 3.31Å; Q619-S621 PolarHBondContact O-N 3.09Å; S621-R625 WeakPolarHBondContact O-CG 2.64Å; S621-R625 PolarHBondContact O-N 3.37Å; S621-R625 PolarHBondContact O-NE 3.19Å; S621-R625 PolarHBondContact OG-NH2 3.09Å
622	S	74.1	Confident	64.3	Low	26 Å²	26	67.7 Å²	67.7	18%	0.182	37%	0.372	C	S	.	.	H	α-helix	trans	-79.8	-42.7	-179.4	-168.1	0	0	0	0	110.9	P618 Q619 K620 L624 R625 R626	P618-S622 PolarHBondContact O-N 3.06Å; Q619-S622 WeakPolarHBondContact O-CA 3.37Å; Q619-S622 WeakPolarHBondContact O-CB 3.44Å; Q619-S622 PolarHBondContact O-N 2.98Å; K620-S622 PolarHBondContact O-N 2.72Å; S622-L624 PolarHBondContact O-N 3.15Å; S622-R625 PolarHBondContact O-N 3.03Å; S622-R626 WeakPolarHBondContact O-CG 3.37Å; S622-R626 PolarHBondContact O-N 3.3Å; S622-R626 PolarHBondContact OG-NH1 3.25Å
623	L	81.8	Confident	66.6	Low	34 Å²	34	63.7 Å²	63.7	18%	0.178	35%	0.353	C	S	.	.	H	α-helix	trans	-62.9	-41.6	175.7	-168.1	69.1	0	0	0	112	V524 L537 E539 Q619 K620 R625 R626 Q627	V524-L623 HydrophobicContact CG1-CD1 4.12Å; L537-L623 HydrophobicContact CB-CD1 3.83Å; L537-L623 HydrophobicContact CB-CG 4.41Å; L537-L623 HydrophobicContact CD1-CD1 4.45Å; E539-L623 HydrophobicContact CG-CD2 4.29Å; Q619-L623 PolarHBondContact O-N 2.98Å; K620-L623 PolarHBondContact O-N 2.71Å; L623-R625 VanDerWaalsContact C-N 3.34Å; L623-R625 PolarHBondContact O-N 3.47Å; L623-R626 PolarHBondContact O-N 2.92Å; L623-Q627 WeakPolarHBondContact O-CB 3.42Å; L623-Q627 PolarHBondContact O-N 3.44Å
624	L	84.7	Confident	69.3	Low	126 Å²	126	61.1 Å²	61.1	66%	0.66	33%	0.332	S	S	*	.	H	α-helix	trans	-60.1	-41.5	174.9	-80.9	158.9	0	0	0	112.6	K620 S622 Q627 Y628	K620-L624 PolarHBondContact O-N 3.06Å; K620-L624 VanDerWaalsContact O-N 3.15Å; S622-L624 PolarHBondContact O-N 3.15Å; L624-Q627 WeakPolarHBondContact O-CB 3.43Å; L624-Q627 PolarHBondContact O-N 2.86Å; L624-Y628 PolarHBondContact O-N 3.4Å
625	R	82.5	Confident	71.9	Confident	100 Å²	100	60.8 Å²	60.8	38%	0.377	33%	0.327	S	S	.	.	H	α-helix	trans	-67.3	-41.2	176.7	-77.8	-178.4	-92.2	173.1	-2.7	112	D581 C582 S621 S622 L623 Y628 C629	D581-R625 IonicContact OD2-CZ 2.73Å; D581-R625 IonicContact OD2-NH1 3.29Å; D581-R625 PolarHBondContact OD2-NH1 2.81Å; C582-R625 PolarHBondContact SG-O 3.38Å; S621-R625 WeakPolarHBondContact O-CG 2.64Å; S621-R625 PolarHBondContact O-N 3.37Å; S621-R625 PolarHBondContact O-NE 3.19Å; S621-R625 PolarHBondContact OG-NH2 3.09Å; S622-R625 PolarHBondContact O-N 3.03Å; L623-R625 VanDerWaalsContact C-N 3.34Å; L623-R625 PolarHBondContact O-N 3.47Å; R625-Y628 PolarHBondContact O-N 2.95Å; R625-C629 PolarHBondContact O-N 2.99Å
626	R	86.8	Confident	74.2	Confident	29 Å²	29	61.2 Å²	61.2	11%	0.109	33%	0.325	C	S	.	.	H	α-helix	trans	-62.4	-42.4	172.8	-71.7	-173.7	179.4	92	8.6	112	L537 D584 S622 L623 Y628 C629 F630	L537-R626 HydrophobicContact CD1-CB 3.65Å; D584-R626 IonicContact OD1-NE 3.91Å; D584-R626 PolarHBondContact OD1-NE 2.87Å; D584-R626 IonicContact OD2-CZ 3.52Å; D584-R626 IonicContact OD2-NE 2.8Å; D584-R626 PolarHBondContact OD2-NE 3.47Å; D584-R626 IonicContact OD2-NH2 3.19Å; D584-R626 PolarHBondContact OD2-NH2 3.23Å; S622-R626 WeakPolarHBondContact O-CG 3.37Å; S622-R626 PolarHBondContact O-N 3.3Å; S622-R626 PolarHBondContact OG-NH1 3.25Å; L623-R626 PolarHBondContact O-N 2.92Å; R626-Y628 PolarHBondContact O-N 2.73Å; R626-C629 PolarHBondContact O-N 2.91Å; R626-F630 WeakPolarHBondContact O-CB 3Å; R626-F630 PolarHBondContact O-N 3.01Å
627	Q	89.9	Confident	76.3	Confident	18 Å²	18	56.8 Å²	56.8	8%	0.084	29%	0.294	C	S	.	.	H	α-helix	trans	-57.2	-48.4	176	179.2	67.8	56.5	0	0	111.1	W535 S536 L537 L623 L624 C629 F630 D631	W535-Q627 PolarHBondContact O-NE2 3.2Å; W535-Q627 VanDerWaalsContact O-NE2 3.1Å; S536-Q627 VanDerWaalsContact CA-OE1 3.3Å; L537-Q627 HydrophobicContact CD1-CB 4.47Å; L623-Q627 WeakPolarHBondContact O-CB 3.42Å; L623-Q627 PolarHBondContact O-N 3.44Å; L624-Q627 WeakPolarHBondContact O-CB 3.43Å; L624-Q627 PolarHBondContact O-N 2.86Å; Q627-C629 VanDerWaalsContact C-N 3.31Å; Q627-C629 PolarHBondContact O-N 3.37Å; Q627-F630 WeakPolarHBondContact O-CB 3.42Å; Q627-F630 PolarHBondContact O-N 2.97Å; Q627-D631 VanDerWaalsContact NE2-CG 3.27Å; Q627-D631 PolarHBondContact NE2-OD1 3.16Å; Q627-D631 PolarHBondContact NE2-OD2 2.9Å; Q627-D631 VanDerWaalsContact NE2-OD2 3.1Å; Q627-D631 VanDerWaalsContact O-CG 3.23Å; Q627-D631 PolarHBondContact O-N 3.15Å
628	Y	89.7	Confident	78.2	Confident	90 Å²	90	56.3 Å²	56.3	35%	0.353	29%	0.289	S	S	.	.	H	α-helix	trans	-56.1	-46.2	176.8	172.5	-99.6	0	0	0	112	L575 N579 L624 R625 R626 D631 Q632	L575-Y628 HydrophobicContact CD1-CE1 4.1Å; N579-Y628 WeakPolarHBondContact ND2-CD1 3.47Å; N579-Y628 VanDerWaalsContact ND2-CE1 3.31Å; N579-Y628 WeakPolarHBondContact ND2-CE1 3.48Å; L624-Y628 PolarHBondContact O-N 3.4Å; R625-Y628 PolarHBondContact O-N 2.95Å; R626-Y628 PolarHBondContact O-N 2.73Å; Y628-D631 PolarHBondContact O-N 3.09Å; Y628-Q632 HydrophobicContact CD1-CG 4.46Å; Y628-Q632 HydrophobicContact CE1-CG 4.06Å; Y628-Q632 HydrophobicContact CE2-CG 4.12Å; Y628-Q632 VanDerWaalsContact O-CG 3.3Å; Y628-Q632 WeakPolarHBondContact O-CG 3.2Å; Y628-Q632 PolarHBondContact O-N 3.31Å
629	C	88.3	Confident	79.6	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-69.8	-37	179.6	-71.8	0	0	0	0	113	L575 C582 R625 R626 Q627 Q632 L633	L575-C629 HydrophobicContact CD2-CB 4.1Å; L575-C629 HydrophobicContact CG-CB 4.42Å; C582-C629 HydrophobicContact CB-CB 3.35Å; C582-C629 WeakPolarHBondContact CB-SG 3.13Å; C582-C629 WeakPolarHBondContact SG-CB 3.41Å; C582-C629 CovalentContact SG-SG 2Å; C582-C629 PolarHBondContact SG-SG 3.42Å; R625-C629 PolarHBondContact O-N 2.99Å; R626-C629 PolarHBondContact O-N 2.91Å; Q627-C629 VanDerWaalsContact C-N 3.31Å; Q627-C629 PolarHBondContact O-N 3.37Å; C629-Q632 PolarHBondContact O-N 3.29Å; C629-L633 WeakPolarHBondContact O-CB 3.48Å; C629-L633 WeakPolarHBondContact O-CG 3.24Å; C629-L633 PolarHBondContact O-N 2.74Å
630	F	89.5	Confident	81.1	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-60.1	-45.5	171.9	172.9	-102.4	0	0	0	111.4	V526 W535 L537 T585 R626 Q627 Q632 L633 L634 L640 L642	V526-F630 HydrophobicContact CG1-CE1 4.23Å; V526-F630 HydrophobicContact CG1-CE2 4.31Å; V526-F630 HydrophobicContact CG1-CZ 3.66Å; V526-F630 HydrophobicContact CG2-CE2 4.3Å; V526-F630 HydrophobicContact CG2-CZ 4.39Å; W535-F630 HydrophobicContact CB-CE1 3.58Å; W535-F630 HydrophobicContact CB-CZ 3.94Å; L537-F630 HydrophobicContact CD1-CB 4.35Å; L537-F630 HydrophobicContact CD2-CD1 4.25Å; L537-F630 HydrophobicContact CD2-CD2 4.43Å; L537-F630 HydrophobicContact CD2-CG 4.14Å; T585-F630 HydrophobicContact CG2-CB 3.93Å; R626-F630 WeakPolarHBondContact O-CB 3Å; R626-F630 PolarHBondContact O-N 3.01Å; Q627-F630 WeakPolarHBondContact O-CB 3.42Å; Q627-F630 PolarHBondContact O-N 2.97Å; F630-Q632 PolarHBondContact O-N 3.43Å; F630-L633 PolarHBondContact O-N 3.22Å; F630-L634 HydrophobicContact CE1-CD2 4.37Å; F630-L634 HydrophobicContact CZ-CD2 4.44Å; F630-L634 WeakPolarHBondContact O-CB 2.94Å; F630-L634 PolarHBondContact O-N 3.12Å; F630-L640 HydrophobicContact CE2-CD1 3.56Å; F630-L640 HydrophobicContact CZ-CD1 3.72Å; F630-L642 HydrophobicContact CD2-CD1 4.29Å; F630-L642 HydrophobicContact CE2-CD1 3.84Å
631	D	88.8	Confident	82.4	Confident	52 Å²	52	44.1 Å²	44.1	28%	0.278	23%	0.229	S	C	.	.	H	α-helix	trans	-62.6	-43.6	177.6	-67.4	-28.2	0	0	0	111.2	Q627 Y628 L633 L634 E635	Q627-D631 VanDerWaalsContact NE2-CG 3.27Å; Q627-D631 PolarHBondContact NE2-OD1 3.16Å; Q627-D631 PolarHBondContact NE2-OD2 2.9Å; Q627-D631 VanDerWaalsContact NE2-OD2 3.1Å; Q627-D631 VanDerWaalsContact O-CG 3.23Å; Q627-D631 PolarHBondContact O-N 3.15Å; Y628-D631 PolarHBondContact O-N 3.09Å; D631-L633 PolarHBondContact O-N 3.42Å; D631-L634 PolarHBondContact O-N 3.1Å; D631-E635 VanDerWaalsContact O-CB 3.27Å; D631-E635 WeakPolarHBondContact O-CB 3.16Å; D631-E635 PolarHBondContact O-N 2.78Å
632	Q	87.5	Confident	83.6	Confident	53 Å²	53	42.8 Å²	42.8	25%	0.248	22%	0.218	C	C	.	.	H	α-helix	trans	-63.9	-38.1	175.3	-70	-62.8	-73.7	0	0	112.6	L575 Y628 C629 F630 E635 N636	L575-Q632 HydrophobicContact CD1-CB 4Å; L575-Q632 HydrophobicContact CD1-CG 4.13Å; L575-Q632 HydrophobicContact CD2-CB 4.01Å; Y628-Q632 HydrophobicContact CD1-CG 4.46Å; Y628-Q632 HydrophobicContact CE1-CG 4.06Å; Y628-Q632 HydrophobicContact CE2-CG 4.12Å; Y628-Q632 VanDerWaalsContact O-CG 3.3Å; Y628-Q632 WeakPolarHBondContact O-CG 3.2Å; Y628-Q632 PolarHBondContact O-N 3.31Å; C629-Q632 PolarHBondContact O-N 3.29Å; F630-Q632 PolarHBondContact O-N 3.43Å; Q632-E635 PolarHBondContact NE2-OE2 3.25Å; Q632-E635 VanDerWaalsContact NE2-OE2 3.1Å; Q632-N636 WeakPolarHBondContact O-CB 3.25Å; Q632-N636 PolarHBondContact O-N 3.36Å; Q632-N636 PolarHBondContact O-ND2 3.09Å
633	L	85.9	Confident	84.1	Confident	7 Å²	7	46.8 Å²	46.8	4%	0.037	23%	0.229	C	C	.	.	H	α-helix	trans	-67.4	-42.8	175.6	-72.5	166.8	0	0	0	111.3	T572 L575 T585 V586 Y589 C629 F630 D631 N636 S637	T572-L633 HydrophobicContact CG2-CD2 3.72Å; L575-L633 HydrophobicContact CD2-CD2 4.15Å; L575-L633 HydrophobicContact CD2-CG 3.98Å; T585-L633 HydrophobicContact CG2-CD1 4.03Å; V586-L633 HydrophobicContact CB-CD1 4.46Å; V586-L633 HydrophobicContact CG2-CD1 3.86Å; V586-L633 HydrophobicContact CG2-CD2 4.14Å; V586-L633 HydrophobicContact CG2-CG 4.41Å; Y589-L633 HydrophobicContact CD1-CB 4.42Å; Y589-L633 HydrophobicContact CD2-CB 4.07Å; Y589-L633 HydrophobicContact CD2-CD1 4.19Å; Y589-L633 HydrophobicContact CE1-CB 4.32Å; Y589-L633 HydrophobicContact CE2-CB 3.97Å; Y589-L633 HydrophobicContact CG-CB 4.26Å; Y589-L633 HydrophobicContact CG-CD1 4.13Å; Y589-L633 PolarHBondContact OH-O 3.11Å; C629-L633 WeakPolarHBondContact O-CB 3.48Å; C629-L633 WeakPolarHBondContact O-CG 3.24Å; C629-L633 PolarHBondContact O-N 2.74Å; F630-L633 PolarHBondContact O-N 3.22Å; D631-L633 PolarHBondContact O-N 3.42Å; L633-N636 PolarHBondContact O-N 3.24Å; L633-S637 WeakPolarHBondContact O-CB 3.15Å; L633-S637 PolarHBondContact O-N 3.33Å; L633-S637 PolarHBondContact O-OG 3.36Å
634	L	84.5	Confident	84.4	Confident	26 Å²	26	52.2 Å²	52.2	14%	0.136	25%	0.247	C	C	.	.	H	α-helix	trans	-65.5	-43.7	178.9	-176.9	63.4	0	0	0	112	W535 Y589 F630 D631 S637 G638 Y639 L640	W535-L634 HydrophobicContact CB-CD2 4.25Å; W535-L634 HydrophobicContact CG-CD2 4.19Å; Y589-L634 WeakPolarHBondContact OH-CA 3.15Å; F630-L634 HydrophobicContact CE1-CD2 4.37Å; F630-L634 HydrophobicContact CZ-CD2 4.44Å; F630-L634 WeakPolarHBondContact O-CB 2.94Å; F630-L634 PolarHBondContact O-N 3.12Å; D631-L634 PolarHBondContact O-N 3.1Å; L634-S637 PolarHBondContact O-OG 2.03Å; L634-G638 WeakPolarHBondContact O-CA 3.47Å; L634-G638 PolarHBondContact O-N 3.49Å; L634-Y639 VanDerWaalsContact CD1-C 3.46Å; L634-L640 HydrophobicContact CD1-CB 4.09Å
635	E	81.8	Confident	84.5	Confident	139 Å²	139	46.8 Å²	46.8	65%	0.65	22%	0.22	S	C	*	.	H	α-helix	trans	-63.3	-45.6	174.9	-174.7	177.5	-165.1	0	0	110.9	D631 Q632	D631-E635 VanDerWaalsContact O-CB 3.27Å; D631-E635 WeakPolarHBondContact O-CB 3.16Å; D631-E635 PolarHBondContact O-N 2.78Å; Q632-E635 PolarHBondContact NE2-OE2 3.25Å; Q632-E635 VanDerWaalsContact NE2-OE2 3.1Å
636	N	77.7	Confident	84.6	Confident	65 Å²	65	46 Å²	46	35%	0.348	23%	0.23	S	C	.	.	H	α-helix	trans	-68.5	-38	179.7	-76.7	-45.3	0	0	0	113	R212 Q632 L633	R212-N636 PolarHBondContact NH1-O 3.34Å; Q632-N636 WeakPolarHBondContact O-CB 3.25Å; Q632-N636 PolarHBondContact O-N 3.36Å; Q632-N636 PolarHBondContact O-ND2 3.09Å; L633-N636 PolarHBondContact O-N 3.24Å
637	S	75.1	Confident	84.3	Confident	17 Å²	17	48.4 Å²	48.4	12%	0.119	25%	0.247	C	C	.	.	H	α-helix	trans	-81.7	-32.1	178	72	0	0	0	0	112.3	R212 Y589 L633 L634 Y639	R212-S637 WeakPolarHBondContact CB-O 3.03Å; R212-S637 WeakPolarHBondContact CD-O 3.4Å; Y589-S637 PolarHBondContact OH-OG 2.97Å; L633-S637 WeakPolarHBondContact O-CB 3.15Å; L633-S637 PolarHBondContact O-N 3.33Å; L633-S637 PolarHBondContact O-OG 3.36Å; L634-S637 PolarHBondContact O-OG 2.03Å; S637-Y639 VanDerWaalsContact C-N 3.34Å; S637-Y639 VanDerWaalsContact O-CD1 3.24Å; S637-Y639 WeakPolarHBondContact O-CD1 3.35Å; S637-Y639 PolarHBondContact OG-N 3.01Å; S637-Y639 PolarHBondContact OG-O 3.1Å
638	G	75.2	Confident	83.9	Confident	44 Å²	44	50.2 Å²	50.2	45%	0.454	25%	0.254	S	S	.	.	S	Bend	trans	81.3	4.9	-172.8	0	0	0	0	0	114.9	L634	L634-G638 WeakPolarHBondContact O-CA 3.47Å; L634-G638 PolarHBondContact O-N 3.49Å
639	Y	76.3	Confident	83.6	Confident	15 Å²	15	48.6 Å²	48.6	6%	0.059	25%	0.249	C	C	.	.	S	Bend	trans	-162.1	159.3	-178.2	68.4	-80.2	0	0	0	113.6	R212 G213 P214 Y589 E593 L634 S637 P641	R212-Y639 HydrophobicContact CB-CD1 4.15Å; R212-Y639 HydrophobicContact CB-CE1 4.12Å; R212-Y639 WeakPolarHBondContact O-CD1 3.34Å; G213-Y639 VanDerWaalsContact CA-CD1 3.48Å; P214-Y639 WeakPolarHBondContact O-CB 3.48Å; Y589-Y639 PolarHBondContact OH-O 3.01Å; E593-Y639 PolarHBondContact OE1-OH 3.12Å; E593-Y639 WeakPolarHBondContact OE2-CE2 3.44Å; E593-Y639 VanDerWaalsContact OE2-CZ 3.28Å; E593-Y639 PolarHBondContact OE2-OH 3.13Å; L634-Y639 VanDerWaalsContact CD1-C 3.46Å; S637-Y639 VanDerWaalsContact C-N 3.34Å; S637-Y639 VanDerWaalsContact O-CD1 3.24Å; S637-Y639 WeakPolarHBondContact O-CD1 3.35Å; S637-Y639 PolarHBondContact OG-N 3.01Å; S637-Y639 PolarHBondContact OG-O 3.1Å; Y639-P641 HydrophobicContact CE2-CB 3.99Å; Y639-P641 HydrophobicContact CE2-CG 4.44Å; Y639-P641 VanDerWaalsContact O-CD 3.24Å; Y639-P641 WeakPolarHBondContact O-CD 3.2Å
640	L	84.8	Confident	83.2	Confident	32 Å²	32	51.9 Å²	51.9	17%	0.168	27%	0.27	C	S	.	.			trans	-96.3	106.6	-178.7	-176.4	60.8	0	0	0	112	P216 V526 W535 Y589 F630 L634 L642	P216-L640 HydrophobicContact CB-CB 4.21Å; V526-L640 HydrophobicContact CG1-CD2 4.21Å; W535-L640 HydrophobicContact CD2-CD2 3.92Å; W535-L640 HydrophobicContact CE3-CD2 3.92Å; W535-L640 HydrophobicContact CH2-CD2 4Å; W535-L640 HydrophobicContact CZ2-CD2 4.04Å; W535-L640 HydrophobicContact CZ3-CD2 3.94Å; Y589-L640 HydrophobicContact CE2-CD1 4.49Å; F630-L640 HydrophobicContact CE2-CD1 3.56Å; F630-L640 HydrophobicContact CZ-CD1 3.72Å; L634-L640 HydrophobicContact CD1-CB 4.09Å; L640-L642 HydrophobicContact CD1-CB 3.96Å; L640-L642 HydrophobicContact CD1-CD1 4Å; L640-L642 HydrophobicContact CD1-CG 3.98Å; L640-L642 HydrophobicContact CG-CB 4.38Å
641	P	82.9	Confident	82.4	Confident	9 Å²	9	53.4 Å²	53.4	6%	0.058	28%	0.28	C	S	.	.			trans	-79.6	-21.2	176.1	30.3	-34.5	0	0	0	113.8	Y589 A592 E593 Y639	Y589-P641 HydrophobicContact CD1-CG 3.69Å; Y589-P641 HydrophobicContact CD2-CG 4.04Å; Y589-P641 HydrophobicContact CE1-CG 3.53Å; Y589-P641 HydrophobicContact CE2-CG 3.89Å; Y589-P641 HydrophobicContact CG-CG 3.96Å; Y589-P641 WeakPolarHBondContact OH-CD 3.37Å; A592-P641 HydrophobicContact CB-CB 4.36Å; E593-P641 HydrophobicContact CB-CB 4.03Å; E593-P641 HydrophobicContact CB-CG 4.36Å; Y639-P641 HydrophobicContact CE2-CB 3.99Å; Y639-P641 HydrophobicContact CE2-CG 4.44Å; Y639-P641 VanDerWaalsContact O-CD 3.24Å; Y639-P641 WeakPolarHBondContact O-CD 3.2Å
642	L	87.4	Confident	81.1	Confident	16 Å²	16	55 Å²	55	8%	0.084	29%	0.291	C	S	.	.			trans	-60.4	145.3	-173.4	-60.7	177.4	0	0	0	111.5	V526 T547 L548 N588 Y589 A592 F630 L640	V526-L642 HydrophobicContact CG2-CD1 4.03Å; T547-L642 HydrophobicContact CG2-CB 3.58Å; T547-L642 HydrophobicContact CG2-CD1 4.17Å; T547-L642 HydrophobicContact CG2-CG 4.49Å; L548-L642 HydrophobicContact CB-CD1 4.41Å; L548-L642 HydrophobicContact CD2-CD1 4.23Å; N588-L642 HydrophobicContact CB-CD2 4.04Å; N588-L642 WeakPolarHBondContact O-CD2 2.95Å; Y589-L642 HydrophobicContact CD2-CD1 4.5Å; Y589-L642 HydrophobicContact CD2-CG 4.29Å; A592-L642 HydrophobicContact CB-CD2 3.86Å; F630-L642 HydrophobicContact CD2-CD1 4.29Å; F630-L642 HydrophobicContact CE2-CD1 3.84Å; L640-L642 HydrophobicContact CD1-CB 3.96Å; L640-L642 HydrophobicContact CD1-CD1 4Å; L640-L642 HydrophobicContact CD1-CG 3.98Å; L640-L642 HydrophobicContact CG-CB 4.38Å
643	R	85.4	Confident	79.5	Confident	110 Å²	110	59.4 Å²	59.4	42%	0.415	32%	0.316	S	S	.	.			trans	-118.2	129.8	-177.9	-62.9	-62.7	-176.9	179.6	-6.7	109.7	A598	A598-R643 HydrophobicContact CB-CB 3.83Å
644	R	87.7	Confident	77.4	Confident	148 Å²	148	67.2 Å²	67.2	56%	0.558	37%	0.371	S	S	*	.			trans	-67.1	140.5	171.2	-164.7	177	-168.1	-157.4	3.8	109.6	E525 P545 Y546	E525-R644 IonicContact OE1-CZ 2.72Å; E525-R644 VanDerWaalsContact OE1-CZ 3.25Å; E525-R644 IonicContact OE1-NE 3.29Å; E525-R644 PolarHBondContact OE1-NE 3.1Å; E525-R644 IonicContact OE1-NH2 2.88Å; E525-R644 PolarHBondContact OE1-NH2 2.86Å; P545-R644 HydrophobicContact CB-CG 3.83Å; P545-R644 HydrophobicContact CG-CG 4.4Å; Y546-R644 CarbonylContact O-C 3.36Å; Y546-R644 WeakPolarHBondContact O-CA 3.48Å
645	S	87.1	Confident	77.1	Confident	12 Å²	12	69.3 Å²	69.3	8%	0.084	38%	0.383	C	S	.	.	B	Isolated β-bridge	trans	-141.5	140.4	178.6	179.4	0	0	0	0	110.6	P545 Y546 V647	P545-S645 WeakPolarHBondContact CA-O 3.02Å; Y546-S645 WeakPolarHBondContact CD1-O 3.39Å; Y546-S645 WeakPolarHBondContact CE1-O 3.41Å; Y546-S645 PolarHBondContact N-O 2.71Å; Y546-S645 PolarHBondContact O-N 2.89Å; Y546-S645 PolarHBondContact OH-OG 2.75Å; S645-V647 PolarHBondContact OG-N 3.11Å; S645-V647 VanDerWaalsContact OG-N 3.13Å
646	S	84.9	Confident	76.8	Confident	83 Å²	83	65.6 Å²	65.6	58%	0.58	37%	0.369	S	S	*	.			trans	-108.1	-1.1	167.7	-53.6	0	0	0	0	111.9	R648	S646-R648 PolarHBondContact O-N 3.1Å
647	V	80.6	Confident	76.8	Confident	80 Å²	80	65.7 Å²	65.7	49%	0.485	37%	0.37	S	S	.	.			trans	-71.3	123.4	-177.8	-179.2	0	0	0	0	108.9	Y546 S645	Y546-V647 VanDerWaalsContact CE1-O 3.26Å; Y546-V647 WeakPolarHBondContact CE1-O 3.47Å; Y546-V647 PolarHBondContact OH-O 2.75Å; S645-V647 PolarHBondContact OG-N 3.11Å; S645-V647 VanDerWaalsContact OG-N 3.13Å
648	R	79.8	Confident	76.9	Confident	57 Å²	57	68.5 Å²	68.5	22%	0.215	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	141.6	176.6	-57.5	-170.8	-169.4	112.1	10.1	109.3	D542 S543 D544 Y546 L601 Q603 S646 P650	D542-R648 PolarHBondContact O-NE 2.78Å; D542-R648 PolarHBondContact O-NH1 3.14Å; D542-R648 PolarHBondContact O-NH2 3.29Å; D542-R648 VanDerWaalsContact O-NH2 3.08Å; S543-R648 PolarHBondContact O-NH2 3.35Å; D544-R648 VanDerWaalsContact C-NH2 3.26Å; D544-R648 PolarHBondContact O-NH2 3.42Å; Y546-R648 HydrophobicContact CE1-CG 4.32Å; L601-R648 HydrophobicContact CD2-CG 4.44Å; L601-R648 WeakPolarHBondContact O-CA 3.36Å; Q603-R648 HydrophobicContact CG-CB 4.18Å; S646-R648 PolarHBondContact O-N 3.1Å; R648-P650 WeakPolarHBondContact O-CD 3.45Å
649	H	83.9	Confident	77	Confident	55 Å²	55	70.1 Å²	70.1	26%	0.255	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	102.9	174.6	-73	-94	0	0	0	108.4	Y506 L510 V600 L601 V602 Q603	Y506-H649 HydrophobicContact CE1-CB 3.94Å; L510-H649 HydrophobicContact CD2-CB 3.77Å; V600-H649 WeakPolarHBondContact CG1-CD2 3.38Å; L601-H649 PolarHBondContact O-N 2.99Å; V602-H649 WeakPolarHBondContact CA-O 3.34Å; Q603-H649 PolarHBondContact N-O 3.3Å
650	P	80.4	Confident	77	Confident	69 Å²	69	73.7 Å²	73.7	45%	0.448	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	138.9	170.1	28.6	-32.3	0	0	0	108.5	R648 T652	R648-P650 WeakPolarHBondContact O-CD 3.45Å; P650-T652 VanDerWaalsContact C-N 3.31Å; P650-T652 HydrophobicContact CG-CG2 4.45Å; P650-T652 PolarHBondContact O-N 3.37Å
651	V	72.9	Confident	76.5	Confident	32 Å²	32	76.7 Å²	76.7	19%	0.194	42%	0.419	C	S	.	.			trans	-67.5	95.3	172.1	-179.2	0	0	0	0	107.7	V502 T503 Y506 V602 Q603	V502-V651 HydrophobicContact CG1-CG1 4.16Å; T503-V651 HydrophobicContact CG2-CG2 3.66Å; Y506-V651 HydrophobicContact CD1-CG2 4.16Å; Y506-V651 HydrophobicContact CG-CG1 4.31Å; V602-V651 HydrophobicContact CG1-CG2 3.6Å; Q603-V651 WeakPolarHBondContact O-CG2 3.39Å; Q603-V651 PolarHBondContact O-N 3.26Å
652	T	62.4	Low	76	Confident	86 Å²	86	81.9 Å²	81.9	53%	0.528	45%	0.447	S	S	.	.			trans	-85.7	113.6	168.1	50.1	0	0	0	0	107.1	P650 S654	P650-T652 VanDerWaalsContact C-N 3.31Å; P650-T652 HydrophobicContact CG-CG2 4.45Å; P650-T652 PolarHBondContact O-N 3.37Å; T652-S654 PolarHBondContact O-N 3.11Å
653	L	52.6	Low	75	Confident	146 Å²	146	87.4 Å²	87.4	76%	0.764	48%	0.477	S	S	*	.			trans	-62.6	100.6	163.1	-77.9	158.2	0	0	0	106.7	V502	V502-L653 HydrophobicContact CG1-CD2 3.37Å; V502-L653 HydrophobicContact CG1-CG 4.11Å; V502-L653 HydrophobicContact CG2-CD2 4.42Å
654	S	42.5	Very low	74.1	Confident	171 Å²	171	85.4 Å²	85.4	100%	1.196	48%	0.482	S	S	*	.			trans	-87.7	0	162.5	67.1	0	0	0	0	109.6	T652	T652-S654 PolarHBondContact O-N 3.11Å

Retrieved 654 of 654 residues in 534.6 ms (Link to these results)

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