A0A3Q0KKK4_SCHMA Loading...

tRNA (uracil(54)-C(5))-methyltransferase

AlphaFold DB , UniProt , Accession A0A3Q0KKK4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 634 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	38.9	Very low	34.1	Very low	244 Å²	244	154.5 Å²	154.5	100%	1.202	85%	0.848	S	S	*	*				0	100.4	0	-83.4	174.5	164	0	0	106.6	S3	M1-S3 PolarHBondContact O-N 3.18Å; M1-S3 VanDerWaalsContact O-N 3.16Å
2	E	36.5	Very low	33.8	Very low	192 Å²	192	151.1 Å²	151.1	90%	0.897	84%	0.844	S	S	*	*			trans	-65.4	108.4	177.3	-70.8	171.7	153.9	0	0	108.8	N4	E2-N4 PolarHBondContact O-N 3.45Å
3	S	36	Very low	33.6	Very low	114 Å²	114	150.8 Å²	150.8	80%	0.797	84%	0.837	S	S	*	*			trans	-78.9	103.5	172	44.7	0	0	0	0	108.6	M1 A5	M1-S3 PolarHBondContact O-N 3.18Å; M1-S3 VanDerWaalsContact O-N 3.16Å; S3-A5 VanDerWaalsContact C-N 3.32Å; S3-A5 PolarHBondContact O-N 3.21Å
4	N	36.2	Very low	33.3	Very low	157 Å²	157	148.4 Å²	148.4	84%	0.84	82%	0.822	S	S	*	*			trans	-58.3	93	166.2	-89.7	-40.1	0	0	0	109.7	E2 K6	E2-N4 PolarHBondContact O-N 3.45Å; N4-K6 VanDerWaalsContact C-N 3.27Å; N4-K6 PolarHBondContact O-N 2.96Å
5	A	37.4	Very low	33.5	Very low	99 Å²	99	145.1 Å²	145.1	82%	0.818	81%	0.807	S	S	*	*			trans	-68.4	89.2	164.7	0	0	0	0	0	107.9	S3 A7	S3-A5 VanDerWaalsContact C-N 3.32Å; S3-A5 PolarHBondContact O-N 3.21Å; A5-A7 PolarHBondContact O-N 3.12Å
6	K	34.9	Very low	33.8	Very low	184 Å²	184	141.3 Å²	141.3	80%	0.8	79%	0.794	S	S	*	*			trans	-61.8	106.7	165.2	-83.1	-179.5	175	177.1	0	106.9	N4 D8	N4-K6 VanDerWaalsContact C-N 3.27Å; N4-K6 PolarHBondContact O-N 2.96Å; K6-D8 PolarHBondContact O-N 3.15Å
7	A	34.6	Very low	34.5	Very low	93 Å²	93	139.1 Å²	139.1	77%	0.769	78%	0.784	S	S	*	*			trans	-58.1	105.7	166.2	0	0	0	0	0	107.9	A5 K9	A5-A7 PolarHBondContact O-N 3.12Å; A7-K9 PolarHBondContact O-N 3.09Å
8	D	32.3	Very low	35.4	Very low	152 Å²	152	136.2 Å²	136.2	81%	0.813	77%	0.766	S	S	*	*			trans	-59.4	103	168.5	-81.7	-35.3	0	0	0	107.6	K6 L10	K6-D8 PolarHBondContact O-N 3.15Å; D8-L10 PolarHBondContact O-N 3.03Å
9	K	31.4	Very low	36.4	Very low	197 Å²	197	132.4 Å²	132.4	86%	0.857	74%	0.743	S	S	*	*			trans	-60.4	105.1	166.1	-80	-179.3	174.3	-179.9	0	106.4	A7	A7-K9 PolarHBondContact O-N 3.09Å
10	L	28.3	Very low	37.7	Very low	159 Å²	159	126.1 Å²	126.1	83%	0.832	71%	0.708	S	S	*	*			trans	-48.5	131.6	166.5	-106.2	101.8	0	0	0	108.3	D8 S12	D8-L10 PolarHBondContact O-N 3.03Å; L10-S12 PolarHBondContact O-N 3.23Å
11	P	28.9	Very low	38.8	Very low	109 Å²	109	126 Å²	126	71%	0.708	71%	0.706	S	S	*	*			trans	-60.2	129.8	-178.5	21.6	-27.6	0	0	0	108.6	I13	P11-I13 PolarHBondContact O-N 3.31Å
12	S	30.1	Very low	39.9	Very low	113 Å²	113	115.6 Å²	115.6	79%	0.79	66%	0.657	S	S	*	*			trans	-52.5	110.5	171.8	49.3	0	0	0	0	108.3	L10 N14	L10-S12 PolarHBondContact O-N 3.23Å; S12-N14 PolarHBondContact O-N 2.76Å
13	I	30.7	Very low	40.9	Very low	148 Å²	148	108 Å²	108	76%	0.759	62%	0.622	S	S	*	*			trans	-58.4	108.7	174.2	-63.6	171.2	0	0	0	106	P11 T15	P11-I13 PolarHBondContact O-N 3.31Å; I13-T15 PolarHBondContact O-N 2.85Å
14	N	30.2	Very low	41.6	Very low	116 Å²	116	107.5 Å²	107.5	62%	0.62	61%	0.61	S	S	*	*			trans	-66.9	102	-179.2	-157	6.8	0	0	0	106.8	S12 S16 T17	S12-N14 PolarHBondContact O-N 2.76Å; N14-S16 PolarHBondContact O-N 3.16Å; N14-T17 PolarHBondContact O-OG1 3.1Å
15	T	36.4	Very low	42.2	Very low	99 Å²	99	105.8 Å²	105.8	61%	0.607	60%	0.601	S	S	*	*	G	3₁₀ helix	trans	-63.7	-6.5	-173.7	41.5	0	0	0	0	113.6	I13 T17	I13-T15 PolarHBondContact O-N 2.85Å; T15-T17 PolarHBondContact O-N 3.2Å
16	S	38.1	Very low	42.4	Very low	85 Å²	85	104.3 Å²	104.3	59%	0.594	59%	0.585	S	S	*	*	G	3₁₀ helix	trans	-72	-6.4	-179.2	68.3	0	0	0	0	115	N14	N14-S16 PolarHBondContact O-N 3.16Å
17	T	45	Very low	42.4	Very low	103 Å²	103	104 Å²	104	63%	0.632	58%	0.584	S	S	*	*	G	3₁₀ helix	trans	-91.1	-14.9	-174.7	40.1	0	0	0	0	115.6	N14 T15	N14-T17 PolarHBondContact O-OG1 3.1Å; T15-T17 PolarHBondContact O-N 3.2Å
18	L	50.7	Low	42.2	Very low	88 Å²	88	104.3 Å²	104.3	46%	0.461	58%	0.576	S	S	.	*	T	Hydrogen-bonded Turn	trans	-90.4	-39.6	-174.3	-77.6	157.8	0	0	0	113.4	C20 N49	L18-C20 PolarHBondContact O-N 2.97Å; L18-N49 PolarHBondContact O-ND2 2.83Å
19	I	54.7	Low	41.9	Very low	64 Å²	64	102.9 Å²	102.9	33%	0.328	57%	0.568	S	S	.	*	S	Bend	trans	-87.5	119.3	-173.6	-57.7	170.4	0	0	0	110.1	D21 V153	I19-D21 PolarHBondContact O-N 3.35Å; I19-V153 HydrophobicContact CD1-CG2 4.2Å
20	C	62.7	Low	41.8	Very low	5 Å²	5	101.8 Å²	101.8	3%	0.034	57%	0.57	C	S	.	*			trans	-71.2	122.5	177.7	174.1	0	0	0	0	111.7	L18 C22 M23 C47 N49 C52	L18-C20 PolarHBondContact O-N 2.97Å; C20-C22 PolarHBondContact O-N 3.26Å; C20-C22 VanDerWaalsContact SG-CB 3.57Å; C20-C22 PolarHBondContact SG-N 3.32Å; C20-M23 VanDerWaalsContact O-CB 3.22Å; C20-M23 WeakPolarHBondContact O-CB 3.46Å; C20-M23 WeakPolarHBondContact O-CG 3.36Å; C20-M23 PolarHBondContact O-N 3.24Å; C20-C47 PolarHBondContact SG-SG 3.12Å; C20-N49 WeakPolarHBondContact CA-ND2 3.46Å; C20-N49 HydrophobicContact CB-CB 4.12Å; C20-N49 PolarHBondContact N-ND2 2.79Å; C20-C52 HydrophobicContact CB-CB 4.47Å; C20-C52 VanDerWaalsContact SG-SG 3.63Å
21	D	61.2	Low	41.6	Very low	124 Å²	124	99 Å²	99	66%	0.663	56%	0.564	S	S	*	*	G	3₁₀ helix	trans	-55.3	-26.7	177.9	-70.5	-32.7	0	0	0	114.2	I19 M23 N24	I19-D21 PolarHBondContact O-N 3.35Å; D21-M23 PolarHBondContact O-N 3.08Å; D21-N24 PolarHBondContact O-N 3.1Å
22	C	62.3	Low	41.4	Very low	26 Å²	26	103.2 Å²	103.2	18%	0.176	57%	0.571	C	S	.	*	G	3₁₀ helix	trans	-60.7	-17.7	175.4	-60.2	0	0	0	0	113	C20 C47 Y54	C20-C22 PolarHBondContact O-N 3.26Å; C20-C22 VanDerWaalsContact SG-CB 3.57Å; C20-C22 PolarHBondContact SG-N 3.32Å; C22-C47 WeakPolarHBondContact SG-CB 3.46Å; C22-Y54 HydrophobicContact CB-CD2 3.72Å; C22-Y54 HydrophobicContact CB-CE2 4.01Å
23	M	56.2	Low	41.2	Very low	32 Å²	32	105.8 Å²	105.8	16%	0.158	57%	0.57	C	S	.	*	G	3₁₀ helix	trans	-68.6	-42	172.4	-71.3	-77.9	-120.8	0	0	112.3	C20 D21 N25 S26 P53 K146 A149	C20-M23 VanDerWaalsContact O-CB 3.22Å; C20-M23 WeakPolarHBondContact O-CB 3.46Å; C20-M23 WeakPolarHBondContact O-CG 3.36Å; C20-M23 PolarHBondContact O-N 3.24Å; D21-M23 PolarHBondContact O-N 3.08Å; M23-N25 VanDerWaalsContact C-N 3.34Å; M23-N25 PolarHBondContact O-N 3.21Å; M23-S26 WeakPolarHBondContact O-CB 3.47Å; M23-S26 PolarHBondContact O-N 2.75Å; M23-S26 PolarHBondContact O-OG 2.92Å; M23-P53 HydrophobicContact CG-CG 4.17Å; M23-P53 HydrophobicContact SD-CG 3.78Å; M23-K146 HydrophobicContact CE-CB 4.47Å; M23-K146 HydrophobicContact CE-CG 4.36Å; M23-A149 HydrophobicContact CE-CB 3.2Å
24	N	52.2	Low	40.9	Very low	104 Å²	104	105.8 Å²	105.8	56%	0.556	57%	0.572	S	S	*	*	G	3₁₀ helix	trans	-68.5	-32.3	-174.6	-80.7	-21.5	0	0	0	112.7	D21 S26 K27	D21-N24 PolarHBondContact O-N 3.1Å; N24-S26 PolarHBondContact O-N 3.39Å; N24-S26 VanDerWaalsContact O-N 3.07Å; N24-K27 PolarHBondContact O-N 3.49Å
25	N	47.8	Very low	40.7	Very low	122 Å²	122	107.1 Å²	107.1	65%	0.652	58%	0.579	S	S	*	*	G	3₁₀ helix	trans	-65.9	-10.2	177	-79.5	-20	0	0	0	114.1	M23 T28	M23-N25 VanDerWaalsContact C-N 3.34Å; M23-N25 PolarHBondContact O-N 3.21Å; N25-T28 PolarHBondContact O-OG1 3Å; N25-T28 VanDerWaalsContact O-OG1 3.12Å
26	S	41.7	Very low	40.1	Very low	68 Å²	68	109.1 Å²	109.1	48%	0.476	59%	0.591	S	S	.	*	G	3₁₀ helix	trans	-79.7	-13.7	176.9	70.8	0	0	0	0	114.6	M23 N24 T28	M23-S26 WeakPolarHBondContact O-CB 3.47Å; M23-S26 PolarHBondContact O-N 2.75Å; M23-S26 PolarHBondContact O-OG 2.92Å; N24-S26 PolarHBondContact O-N 3.39Å; N24-S26 VanDerWaalsContact O-N 3.07Å; S26-T28 VanDerWaalsContact C-N 3.32Å; S26-T28 PolarHBondContact O-N 3.24Å
27	K	35.2	Very low	39.5	Very low	178 Å²	178	111.7 Å²	111.7	77%	0.774	60%	0.597	S	S	*	*	G	3₁₀ helix	trans	-82.4	-0.3	177.4	-79.3	-174.3	177.5	176.2	0	114.7	N24 D29	N24-K27 PolarHBondContact O-N 3.49Å; K27-D29 PolarHBondContact O-N 2.98Å
28	T	30.5	Very low	38.5	Very low	98 Å²	98	114.6 Å²	114.6	60%	0.601	60%	0.603	S	S	*	*			trans	-76.6	77.6	169	49.6	0	0	0	0	109.2	N25 S26	N25-T28 PolarHBondContact O-OG1 3Å; N25-T28 VanDerWaalsContact O-OG1 3.12Å; S26-T28 VanDerWaalsContact C-N 3.32Å; S26-T28 PolarHBondContact O-N 3.24Å
29	D	26.8	Very low	37.2	Very low	123 Å²	123	118 Å²	118	66%	0.658	62%	0.622	S	S	*	*			trans	-59.4	155.5	177.2	-117.7	-35.2	0	0	0	111.7	K27 S31	K27-D29 PolarHBondContact O-N 2.98Å; D29-S31 PolarHBondContact O-N 3.37Å
30	I	27.5	Very low	36	Very low	174 Å²	174	123.8 Å²	123.8	89%	0.892	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.5	17.3	-171.4	-70.8	160.6	0	0	0	114.8
31	S	25.7	Very low	34.6	Very low	100 Å²	100	129.1 Å²	129.1	70%	0.699	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117	4.6	-170.2	56.5	0	0	0	0	116.6	D29	D29-S31 PolarHBondContact O-N 3.37Å
32	K	25	Very low	33.7	Very low	198 Å²	198	128.5 Å²	128.5	86%	0.861	67%	0.674	S	S	*	*			trans	-120.7	125.1	177.8	-70.8	-170.4	175.3	-175.2	0	113.8
33	E	24.6	Very low	32.9	Very low	166 Å²	166	129.9 Å²	129.9	78%	0.776	69%	0.693	S	S	*	*			trans	-64.6	154.4	-178.8	-69.3	164.1	130.1	0	0	113.7	D35	E33-D35 PolarHBondContact O-N 2.91Å
34	N	25.2	Very low	32.5	Very low	148 Å²	148	133.8 Å²	133.8	79%	0.791	71%	0.712	S	S	*	*			trans	62.6	18.8	138.7	-66.2	-11.2	0	0	0	123.1	V36	N34-V36 PolarHBondContact O-N 3.29Å
35	D	25.4	Very low	32.4	Very low	144 Å²	144	130.1 Å²	130.1	77%	0.77	69%	0.694	S	S	*	*			trans	-88.8	111.5	165.1	-72.7	-30.8	0	0	0	111.8	E33 I37	E33-D35 PolarHBondContact O-N 2.91Å; D35-I37 HydrophobicContact CB-CG1 4.36Å; D35-I37 PolarHBondContact O-N 3.17Å
36	V	23.1	Very low	32.8	Very low	141 Å²	141	130.8 Å²	130.8	86%	0.855	70%	0.703	S	S	*	*			trans	-59.1	86.3	165.8	179.6	0	0	0	0	107.6	N34	N34-V36 PolarHBondContact O-N 3.29Å
37	I	25.7	Very low	34	Very low	140 Å²	140	128.8 Å²	128.8	72%	0.718	69%	0.689	S	S	*	*			trans	-91.3	113	171.8	-61.7	177	0	0	0	107.4	D35	D35-I37 HydrophobicContact CB-CG1 4.36Å; D35-I37 PolarHBondContact O-N 3.17Å
38	E	23.6	Very low	35.4	Very low	164 Å²	164	127.9 Å²	127.9	77%	0.766	69%	0.691	S	S	*	*			trans	-40.6	148.5	175.6	-68.3	170.9	148.2	0	0	114.1	K40	E38-K40 VanDerWaalsContact C-N 3.28Å; E38-K40 PolarHBondContact O-N 3.49Å
39	D	25.1	Very low	37.2	Very low	160 Å²	160	124.5 Å²	124.5	86%	0.856	67%	0.67	S	S	*	*			trans	-52.3	74	-178.6	-143.6	1.9	0	0	0	112.8	T41	D39-T41 PolarHBondContact O-N 2.8Å
40	K	29.4	Very low	39	Very low	185 Å²	185	124 Å²	124	80%	0.804	67%	0.673	S	S	*	*			trans	-79.6	83.6	168.3	-73.7	-169.7	179.1	-179.6	0	108.8	E38	E38-K40 VanDerWaalsContact C-N 3.28Å; E38-K40 PolarHBondContact O-N 3.49Å
41	T	32.7	Very low	40.9	Very low	116 Å²	116	119.1 Å²	119.1	71%	0.712	65%	0.649	S	S	*	*			trans	-8.4	121.4	150.8	53.1	0	0	0	0	113.6	D39	D39-T41 PolarHBondContact O-N 2.8Å
42	D	43.1	Very low	43.2	Very low	111 Å²	111	114.4 Å²	114.4	59%	0.594	62%	0.616	S	S	*	*	S	Bend	trans	50.2	114.6	166.1	-63.2	-37.7	0	0	0	116.2	M44	D42-M44 PolarHBondContact O-N 3.19Å
43	G	44.4	Very low	45.5	Very low	56 Å²	56	105 Å²	105	58%	0.577	58%	0.575	S	S	*	*	S	Bend	trans	-59.6	17.9	177.7	0	0	0	0	0	117	S45	G43-S45 PolarHBondContact O-N 2.98Å
44	M	47.8	Very low	47.9	Very low	113 Å²	113	98.7 Å²	98.7	56%	0.557	54%	0.544	S	S	*	.			trans	-76.8	103.5	164.8	-79.8	168.1	75.6	0	0	109.6	D42 T46	D42-M44 PolarHBondContact O-N 3.19Å; M44-T46 PolarHBondContact O-N 2.78Å
45	S	50.3	Low	50.2	Low	27 Å²	27	92.5 Å²	92.5	19%	0.189	51%	0.513	C	S	.	.			trans	-57.9	124.4	169.1	61.2	0	0	0	0	110.5	G43 C47 Y54	G43-S45 PolarHBondContact O-N 2.98Å; S45-C47 PolarHBondContact O-N 3.17Å; S45-Y54 WeakPolarHBondContact OG-CB 3.48Å
46	T	56.8	Low	52.4	Low	136 Å²	136	86.7 Å²	86.7	83%	0.834	48%	0.481	S	S	*	.			trans	-76.5	9.2	174.7	50.1	0	0	0	0	113.7	M44 L48	M44-T46 PolarHBondContact O-N 2.78Å; T46-L48 PolarHBondContact O-N 2.7Å
47	C	66.3	Low	54.6	Low	26 Å²	26	80.5 Å²	80.5	18%	0.176	44%	0.443	C	S	.	.			trans	-66.2	121.8	-174.9	-178.7	0	0	0	0	112.5	C20 C22 S45 N49 C52 R58	C20-C47 PolarHBondContact SG-SG 3.12Å; C22-C47 WeakPolarHBondContact SG-CB 3.46Å; S45-C47 PolarHBondContact O-N 3.17Å; C47-N49 VanDerWaalsContact C-N 3.35Å; C47-N49 PolarHBondContact SG-N 3.23Å; C47-C52 HydrophobicContact CB-CB 4.41Å; C47-R58 PolarHBondContact O-NH1 2.88Å; C47-R58 PolarHBondContact O-NH2 2.91Å; C47-R58 VanDerWaalsContact O-NH2 3.08Å
48	L	64.4	Low	56.6	Low	159 Å²	159	78.2 Å²	78.2	83%	0.832	43%	0.425	S	S	*	.			trans	-85.4	-1.9	179.9	-66	169.8	0	0	0	114	T46	T46-L48 PolarHBondContact O-N 2.7Å
49	N	68	Low	58.6	Low	27 Å²	27	73.7 Å²	73.7	14%	0.144	40%	0.401	C	S	.	.			trans	-65.8	125.5	179.6	-173.1	-36.7	0	0	0	110.2	L18 C20 C47 N51 C52	L18-N49 PolarHBondContact O-ND2 2.83Å; C20-N49 WeakPolarHBondContact CA-ND2 3.46Å; C20-N49 HydrophobicContact CB-CB 4.12Å; C20-N49 PolarHBondContact N-ND2 2.79Å; C47-N49 VanDerWaalsContact C-N 3.35Å; C47-N49 PolarHBondContact SG-N 3.23Å; N49-N51 PolarHBondContact O-N 2.87Å; N49-N51 WeakPolarHBondContact OD1-CA 3.45Å; N49-N51 WeakPolarHBondContact OD1-CB 3.37Å; N49-N51 PolarHBondContact OD1-N 3.32Å; N49-C52 HydrophobicContact CB-CB 4.41Å; N49-C52 WeakPolarHBondContact O-CB 3.48Å; N49-C52 PolarHBondContact O-N 3.45Å
50	P	64.1	Low	60.3	Low	112 Å²	112	74.5 Å²	74.5	73%	0.727	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-28.8	178.7	22.3	-31.2	0	0	0	113.1	C52	P50-C52 VanDerWaalsContact C-N 3.25Å; P50-C52 PolarHBondContact O-N 3.06Å
51	N	68.3	Low	62	Low	73 Å²	73	68.3 Å²	68.3	39%	0.39	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	19.3	174.1	-67	-17.6	0	0	0	112.6	N49 P53 I145	N49-N51 PolarHBondContact O-N 2.87Å; N49-N51 WeakPolarHBondContact OD1-CA 3.45Å; N49-N51 WeakPolarHBondContact OD1-CB 3.37Å; N49-N51 PolarHBondContact OD1-N 3.32Å; N51-P53 WeakPolarHBondContact O-CD 3.36Å; N51-I145 WeakPolarHBondContact O-CG2 3.42Å
52	C	73.5	Confident	63.6	Low	0 Å²	0	67.9 Å²	67.9	0%	0	37%	0.372	C	S	.	.			trans	-68.4	121.3	174.6	178.9	0	0	0	0	110.5	C20 C47 N49 P50 Y54 A55	C20-C52 HydrophobicContact CB-CB 4.47Å; C20-C52 VanDerWaalsContact SG-SG 3.63Å; C47-C52 HydrophobicContact CB-CB 4.41Å; N49-C52 HydrophobicContact CB-CB 4.41Å; N49-C52 WeakPolarHBondContact O-CB 3.48Å; N49-C52 PolarHBondContact O-N 3.45Å; P50-C52 VanDerWaalsContact C-N 3.25Å; P50-C52 PolarHBondContact O-N 3.06Å; C52-Y54 PolarHBondContact O-N 3.39Å; C52-Y54 PolarHBondContact SG-N 2.84Å; C52-A55 HydrophobicContact CB-CB 4.3Å; C52-A55 VanDerWaalsContact O-CB 3.24Å; C52-A55 WeakPolarHBondContact O-CB 3.46Å; C52-A55 PolarHBondContact O-N 3.03Å
53	P	73	Confident	64.7	Low	0 Å²	0	64 Å²	64	0%	0	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-6.7	-179.7	30.4	-38.1	0	0	0	113.5	M23 N51 Y56 A141 D142 I145	M23-P53 HydrophobicContact CG-CG 4.17Å; M23-P53 HydrophobicContact SD-CG 3.78Å; N51-P53 WeakPolarHBondContact O-CD 3.36Å; P53-Y56 WeakPolarHBondContact O-CD1 3.42Å; P53-Y56 WeakPolarHBondContact O-CE1 3.36Å; P53-A141 HydrophobicContact CB-CB 3.85Å; P53-A141 HydrophobicContact CG-CB 4.24Å; P53-D142 VanDerWaalsContact O-CB 3.24Å; P53-D142 WeakPolarHBondContact O-CB 3.43Å; P53-D142 PolarHBondContact O-N 2.97Å; P53-I145 HydrophobicContact CB-CB 4.2Å; P53-I145 HydrophobicContact CB-CG2 4.03Å
54	Y	76.8	Confident	66	Low	35 Å²	35	62.5 Å²	62.5	14%	0.137	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106	1.8	176.8	-61.9	-73.7	0	0	0	112.9	C22 S45 C52 Y56 L57 P139 A141	C22-Y54 HydrophobicContact CB-CD2 3.72Å; C22-Y54 HydrophobicContact CB-CE2 4.01Å; S45-Y54 WeakPolarHBondContact OG-CB 3.48Å; C52-Y54 PolarHBondContact O-N 3.39Å; C52-Y54 PolarHBondContact SG-N 2.84Å; Y54-Y56 PolarHBondContact O-N 3.01Å; Y54-Y56 VanDerWaalsContact O-N 3.08Å; Y54-L57 HydrophobicContact CD1-CD1 4.01Å; Y54-L57 WeakPolarHBondContact O-CB 3.43Å; Y54-L57 WeakPolarHBondContact O-CG 3.37Å; Y54-L57 PolarHBondContact O-N 3.11Å; Y54-P139 HydrophobicContact CD1-CB 4.4Å; Y54-P139 HydrophobicContact CD1-CG 4.06Å; Y54-P139 HydrophobicContact CE1-CB 4.43Å; Y54-P139 HydrophobicContact CE1-CG 4.1Å; Y54-P139 WeakPolarHBondContact CE1-O 3.31Å; Y54-A141 HydrophobicContact CE1-CB 4.24Å; Y54-A141 HydrophobicContact CE2-CB 4.41Å
55	A	71.5	Confident	67.5	Low	17 Å²	17	57.9 Å²	57.9	14%	0.14	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-56.5	-30.5	-178.1	0	0	0	0	0	112.9	C52 L57 R58	C52-A55 HydrophobicContact CB-CB 4.3Å; C52-A55 VanDerWaalsContact O-CB 3.24Å; C52-A55 WeakPolarHBondContact O-CB 3.46Å; C52-A55 PolarHBondContact O-N 3.03Å; A55-L57 PolarHBondContact O-N 3.43Å; A55-R58 VanDerWaalsContact CB-NH2 3.32Å; A55-R58 PolarHBondContact O-N 3.14Å
56	Y	72.9	Confident	68.7	Low	22 Å²	22	58.2 Å²	58.2	9%	0.086	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-63.5	-21	179.4	78.3	-91.3	0	0	0	114	P53 Y54 R58 R59 T63 E65 H140 D142	P53-Y56 WeakPolarHBondContact O-CD1 3.42Å; P53-Y56 WeakPolarHBondContact O-CE1 3.36Å; Y54-Y56 PolarHBondContact O-N 3.01Å; Y54-Y56 VanDerWaalsContact O-N 3.08Å; Y56-R58 PolarHBondContact O-N 3.37Å; Y56-R59 WeakPolarHBondContact O-CG 3.3Å; Y56-R59 PolarHBondContact O-N 2.84Å; Y56-T63 HydrophobicContact CD2-CG2 4.06Å; Y56-T63 HydrophobicContact CE2-CG2 3.99Å; Y56-T63 VanDerWaalsContact CE2-OG1 3.31Å; Y56-T63 WeakPolarHBondContact CE2-OG1 3.43Å; Y56-E65 HydrophobicContact CE2-CB 4.01Å; Y56-E65 HydrophobicContact CE2-CG 4.47Å; Y56-E65 WeakPolarHBondContact OH-CB 3.5Å; Y56-E65 WeakPolarHBondContact OH-CG 3.34Å; Y56-H140 PolarHBondContact OH-O 3.19Å; Y56-D142 HydrophobicContact CD1-CB 4.04Å; Y56-D142 HydrophobicContact CE1-CB 4.26Å
57	L	69.2	Low	69.9	Low	12 Å²	12	54.7 Å²	54.7	6%	0.063	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-70.6	-18.3	178.1	-62.6	172	0	0	0	113.2	Y54 A55 R59 T63 E65 A66 P139	Y54-L57 HydrophobicContact CD1-CD1 4.01Å; Y54-L57 WeakPolarHBondContact O-CB 3.43Å; Y54-L57 WeakPolarHBondContact O-CG 3.37Å; Y54-L57 PolarHBondContact O-N 3.11Å; A55-L57 PolarHBondContact O-N 3.43Å; L57-R59 VanDerWaalsContact C-N 3.3Å; L57-T63 HydrophobicContact CD2-CG2 4.29Å; L57-E65 HydrophobicContact CD2-CB 4.06Å; L57-A66 HydrophobicContact CD2-CB 4.22Å; L57-P139 HydrophobicContact CD1-CB 3.68Å; L57-P139 HydrophobicContact CD1-CG 3.45Å; L57-P139 VanDerWaalsContact CD1-CG 3.45Å; L57-P139 HydrophobicContact CD2-CB 3.94Å; L57-P139 HydrophobicContact CG-CB 4.41Å
58	R	66.8	Low	70.8	Confident	92 Å²	92	53.7 Å²	53.7	35%	0.347	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-86.2	0.4	-178.7	-63.1	179.1	-74.1	-170.1	-11.9	113.5	C47 A55 Y56	C47-R58 PolarHBondContact O-NH1 2.88Å; C47-R58 PolarHBondContact O-NH2 2.91Å; C47-R58 VanDerWaalsContact O-NH2 3.08Å; A55-R58 VanDerWaalsContact CB-NH2 3.32Å; A55-R58 PolarHBondContact O-N 3.14Å; Y56-R58 PolarHBondContact O-N 3.37Å
59	R	65.8	Low	72	Confident	68 Å²	68	46.1 Å²	46.1	26%	0.257	24%	0.24	S	C	.	.	S	Bend	trans	-83.5	148.7	-175	-61.3	177	-172.9	160.3	10.3	110.5	Y56 L57 T61 I334	Y56-R59 WeakPolarHBondContact O-CG 3.3Å; Y56-R59 PolarHBondContact O-N 2.84Å; L57-R59 VanDerWaalsContact C-N 3.3Å; R59-T61 WeakPolarHBondContact CB-OG1 3.26Å; R59-T61 PolarHBondContact O-N 3.13Å; R59-T61 VanDerWaalsContact O-N 3.15Å; R59-I334 PolarHBondContact NH1-O 2.9Å; R59-I334 PolarHBondContact NH2-O 2.68Å
60	N	61.8	Low	73.1	Confident	177 Å²	177	47.3 Å²	47.3	95%	0.947	25%	0.245	S	C	*	.	S	Bend	trans	-73.5	6.7	168.5	-75.1	-4.3	0	0	0	113
61	T	63.6	Low	74.3	Confident	55 Å²	55	42 Å²	42	34%	0.337	21%	0.211	S	C	.	.	S	Bend	trans	-93.5	145.5	176.3	54.2	0	0	0	0	111	R59 T63 Y336	R59-T61 WeakPolarHBondContact CB-OG1 3.26Å; R59-T61 PolarHBondContact O-N 3.13Å; R59-T61 VanDerWaalsContact O-N 3.15Å; T61-T63 PolarHBondContact O-N 3.47Å; T61-Y336 HydrophobicContact CG2-CD1 4.41Å; T61-Y336 HydrophobicContact CG2-CE1 4.48Å
62	F	66.5	Low	75.3	Confident	108 Å²	108	42.8 Å²	42.8	47%	0.474	21%	0.211	S	C	.	.			trans	-61.5	130.4	178.2	175.1	-96.8	0	0	0	111.3	C95 E110	F62-C95 HydrophobicContact CE2-CB 4.08Å; F62-C95 HydrophobicContact CZ-CB 3.81Å; F62-E110 HydrophobicContact CD2-CG 4.13Å; F62-E110 HydrophobicContact CE2-CG 4.11Å
63	T	67.3	Low	75.9	Confident	30 Å²	30	47.2 Å²	47.2	18%	0.184	23%	0.234	C	C	.	.			trans	-135.2	139	167.8	176.6	0	0	0	0	110.2	Y56 L57 T61 E65 A66	Y56-T63 HydrophobicContact CD2-CG2 4.06Å; Y56-T63 HydrophobicContact CE2-CG2 3.99Å; Y56-T63 VanDerWaalsContact CE2-OG1 3.31Å; Y56-T63 WeakPolarHBondContact CE2-OG1 3.43Å; L57-T63 HydrophobicContact CD2-CG2 4.29Å; T61-T63 PolarHBondContact O-N 3.47Å; T63-E65 PolarHBondContact O-N 3.36Å; T63-A66 HydrophobicContact CG2-CB 3.6Å; T63-A66 PolarHBondContact O-N 3.21Å
64	S	71.9	Confident	76.3	Confident	23 Å²	23	47.6 Å²	47.6	16%	0.161	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-0.2	-179.3	63.7	0	0	0	0	114.2	S108	S64-S108 WeakPolarHBondContact CB-OG 3.33Å; S64-S108 WeakPolarHBondContact O-CB 3.35Å; S64-S108 PolarHBondContact O-OG 3.32Å
65	E	78.9	Confident	76.4	Confident	17 Å²	17	46.8 Å²	46.8	8%	0.079	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.2	-19.5	-175.3	-60	-67.7	135	0	0	113.7	Y56 L57 T63 K68 P139 H140	Y56-E65 HydrophobicContact CE2-CB 4.01Å; Y56-E65 HydrophobicContact CE2-CG 4.47Å; Y56-E65 WeakPolarHBondContact OH-CB 3.5Å; Y56-E65 WeakPolarHBondContact OH-CG 3.34Å; L57-E65 HydrophobicContact CD2-CB 4.06Å; T63-E65 PolarHBondContact O-N 3.36Å; E65-K68 IonicContact OE1-NZ 2.78Å; E65-K68 PolarHBondContact OE1-NZ 3.48Å; E65-K68 WeakPolarHBondContact OE2-CD 3.47Å; E65-K68 IonicContact OE2-NZ 3.35Å; E65-K68 PolarHBondContact OE2-NZ 3.11Å; E65-P139 HydrophobicContact CB-CB 4.07Å; E65-H140 IonicContact OE1-CD2 3.18Å; E65-H140 IonicContact OE2-CD2 3.69Å; E65-H140 PolarHBondContact OE2-CD2 3.48Å; E65-H140 IonicContact OE2-CG 2.77Å; E65-H140 PolarHBondContact OE2-N 3.16Å
66	A	74.9	Confident	76.4	Confident	34 Å²	34	56.1 Å²	56.1	28%	0.281	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-50.3	-177.6	0	0	0	0	0	112.2	L57 T63	L57-A66 HydrophobicContact CD2-CB 4.22Å; T63-A66 HydrophobicContact CG2-CB 3.6Å; T63-A66 PolarHBondContact O-N 3.21Å
67	F	82.2	Confident	76.3	Confident	62 Å²	62	62.2 Å²	62.2	27%	0.272	30%	0.296	S	S	.	.	S	Bend	trans	-115.4	83.2	176.7	-49.7	-58.8	0	0	0	108.2	S108 F109 E110 A112 R115	F67-S108 CarbonylContact O-C 3.53Å; F67-S108 WeakPolarHBondContact O-CA 3.33Å; F67-F109 HydrophobicContact CB-CB 3.95Å; F67-F109 WeakPolarHBondContact O-CD2 3.23Å; F67-F109 PolarHBondContact O-N 2.86Å; F67-E110 WeakPolarHBondContact CD2-O 3.3Å; F67-A112 HydrophobicContact CD1-CB 3.9Å; F67-A112 HydrophobicContact CE1-CB 3.71Å; F67-A112 HydrophobicContact CZ-CB 4.4Å; F67-R115 HydrophobicContact CB-CB 4.15Å
68	K	86.1	Confident	76.4	Confident	4 Å²	4	62.2 Å²	62.2	2%	0.017	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	137.8	-175.3	-172.5	-177.1	169.5	-178.7	0	110.3	E65 F106 L107 A137 H140	E65-K68 IonicContact OE1-NZ 2.78Å; E65-K68 PolarHBondContact OE1-NZ 3.48Å; E65-K68 WeakPolarHBondContact OE2-CD 3.47Å; E65-K68 IonicContact OE2-NZ 3.35Å; E65-K68 PolarHBondContact OE2-NZ 3.11Å; K68-F106 HydrophobicContact CD-CD1 4.38Å; K68-F106 VanDerWaalsContact CE-CG 3.46Å; K68-F106 HydrophobicContact CG-CB 4.48Å; K68-F106 HydrophobicContact CG-CD1 4.41Å; K68-L107 CarbonylContact C-O 3.53Å; K68-L107 VanDerWaalsContact CA-O 3.29Å; K68-L107 WeakPolarHBondContact CA-O 3.42Å; K68-A137 HydrophobicContact CB-CB 4.17Å; K68-A137 HydrophobicContact CD-CB 4.02Å; K68-A137 HydrophobicContact CG-CB 3.77Å; K68-A137 PolarHBondContact O-N 2.9Å; K68-H140 PolarHBondContact NZ-CD2 2.83Å; K68-H140 PolarHBondContact NZ-NE2 2.84Å
69	I	89.7	Confident	76.8	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	151.7	172	81.1	-174.5	0	0	0	110.3	L71 F106 L107 F109 R115 A118 I119 L122 K135	I69-L71 HydrophobicContact CD1-CD2 4.02Å; I69-L71 HydrophobicContact CD1-CG 4.37Å; I69-L71 HydrophobicContact CG1-CD2 4.41Å; I69-L71 HydrophobicContact CG1-CG 4.38Å; I69-F106 WeakPolarHBondContact O-CA 3.17Å; I69-L107 HydrophobicContact CD1-CB 4.34Å; I69-L107 HydrophobicContact CD1-CD1 4.1Å; I69-L107 HydrophobicContact CD1-CG 4.46Å; I69-L107 HydrophobicContact CG1-CB 3.97Å; I69-L107 HydrophobicContact CG1-CD1 4.49Å; I69-L107 HydrophobicContact CG1-CG 4.32Å; I69-L107 PolarHBondContact N-O 3.16Å; I69-L107 PolarHBondContact O-N 2.87Å; I69-F109 HydrophobicContact CB-CE2 4.27Å; I69-F109 HydrophobicContact CD1-CE2 3.79Å; I69-F109 HydrophobicContact CD1-CZ 3.77Å; I69-F109 HydrophobicContact CG1-CE2 3.79Å; I69-F109 HydrophobicContact CG1-CZ 4.24Å; I69-F109 HydrophobicContact CG2-CD2 4.34Å; I69-F109 HydrophobicContact CG2-CE2 3.76Å; I69-R115 HydrophobicContact CG2-CG 3.42Å; I69-R115 VanDerWaalsContact CG2-CG 3.42Å; I69-A118 HydrophobicContact CD1-CB 4.16Å; I69-I119 HydrophobicContact CB-CG1 4.48Å; I69-I119 HydrophobicContact CG2-CD1 3.91Å; I69-I119 HydrophobicContact CG2-CG1 3.75Å; I69-L122 HydrophobicContact CD1-CD1 4.12Å; I69-K135 CarbonylContact C-O 3.57Å; I69-K135 VanDerWaalsContact CA-O 3.27Å; I69-K135 WeakPolarHBondContact CA-O 3.32Å; I69-K135 WeakPolarHBondContact CB-O 3.45Å
70	Q	90.6	Very high	77.5	Confident	53 Å²	53	61.1 Å²	61.1	25%	0.248	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	124.9	171.2	-175.1	175	-10.8	0	0	108.5	K72 L104 F106 A134 K135 A137	Q70-K72 HydrophobicContact CG-CG 4.34Å; Q70-L104 HydrophobicContact CG-CD1 3.5Å; Q70-F106 HydrophobicContact CB-CD1 4.06Å; Q70-F106 HydrophobicContact CB-CE1 3.77Å; Q70-F106 HydrophobicContact CG-CD1 4.28Å; Q70-F106 HydrophobicContact CG-CE1 3.74Å; Q70-F106 HydrophobicContact CG-CZ 4.36Å; Q70-A134 WeakPolarHBondContact O-CA 3.39Å; Q70-K135 PolarHBondContact N-O 2.87Å; Q70-K135 PolarHBondContact O-N 3.13Å; Q70-A137 HydrophobicContact CB-CB 4.04Å
71	L	88.8	Confident	78.4	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	120	170.9	-66	-178.9	0	0	0	109.3	I69 I74 M83 L104 A105 L107 L122 E133 A134	I69-L71 HydrophobicContact CD1-CD2 4.02Å; I69-L71 HydrophobicContact CD1-CG 4.37Å; I69-L71 HydrophobicContact CG1-CD2 4.41Å; I69-L71 HydrophobicContact CG1-CG 4.38Å; L71-I74 HydrophobicContact CB-CD1 3.66Å; L71-I74 HydrophobicContact CB-CG1 4.27Å; L71-I74 WeakPolarHBondContact O-CD1 3.46Å; L71-M83 HydrophobicContact CD1-CE 4.42Å; L71-M83 HydrophobicContact CD1-SD 4.45Å; L71-L104 WeakPolarHBondContact O-CA 3.5Å; L71-A105 HydrophobicContact CB-CB 4.39Å; L71-A105 PolarHBondContact N-O 3.3Å; L71-A105 PolarHBondContact O-N 3.06Å; L71-L107 HydrophobicContact CD1-CD1 3.59Å; L71-L107 HydrophobicContact CD1-CD2 4.34Å; L71-L107 HydrophobicContact CD1-CG 3.79Å; L71-L107 HydrophobicContact CG-CD1 4.36Å; L71-L107 HydrophobicContact CG-CG 4.34Å; L71-L122 HydrophobicContact CD1-CD1 4.2Å; L71-L122 HydrophobicContact CD2-CB 4.12Å; L71-L122 HydrophobicContact CD2-CD1 4.07Å; L71-E133 WeakPolarHBondContact CA-O 3.48Å; L71-A134 HydrophobicContact CD2-CB 3.41Å; L71-A134 VanDerWaalsContact CD2-CB 3.41Å
72	K	88.7	Confident	79.3	Confident	90 Å²	90	56.8 Å²	56.8	39%	0.391	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	167.7	173.3	-69.6	-179.7	179.8	177.9	0	110.9	Q70 I74 L104 E133	Q70-K72 HydrophobicContact CG-CG 4.34Å; K72-I74 VanDerWaalsContact C-N 3.29Å; K72-I74 PolarHBondContact O-N 2.96Å; K72-L104 HydrophobicContact CG-CD1 4.19Å; K72-E133 HydrophobicContact CB-CB 4.25Å; K72-E133 PolarHBondContact N-O 3.13Å; K72-E133 PolarHBondContact O-N 2.98Å
73	N	86.6	Confident	80.3	Confident	93 Å²	93	51.7 Å²	51.7	50%	0.497	27%	0.269	S	S	.	.	S	Bend	trans	60.4	37.8	179.2	-158.1	25.4	0	0	0	113.3	G103 S130 K131	N73-G103 PolarHBondContact N-O 2.92Å; N73-S130 VanDerWaalsContact O-CB 3.27Å; N73-S130 WeakPolarHBondContact O-CB 3.47Å; N73-K131 PolarHBondContact ND2-O 2.88Å
74	I	82	Confident	81.4	Confident	8 Å²	8	54.2 Å²	54.2	4%	0.041	28%	0.277	C	S	.	.			trans	-80	137.3	175.9	-66.5	157.4	0	0	0	109.7	L71 K72 R76 A78 M83 F99 G103 A105 W127	L71-I74 HydrophobicContact CB-CD1 3.66Å; L71-I74 HydrophobicContact CB-CG1 4.27Å; L71-I74 WeakPolarHBondContact O-CD1 3.46Å; K72-I74 VanDerWaalsContact C-N 3.29Å; K72-I74 PolarHBondContact O-N 2.96Å; I74-R76 PolarHBondContact O-N 3.37Å; I74-A78 HydrophobicContact CG2-CB 3.47Å; I74-A78 VanDerWaalsContact CG2-CB 3.47Å; I74-M83 HydrophobicContact CD1-CE 3.73Å; I74-M83 HydrophobicContact CG1-CE 4.05Å; I74-M83 HydrophobicContact CG2-CE 3.98Å; I74-F99 HydrophobicContact CG2-CE1 4.33Å; I74-G103 PolarHBondContact N-O 3.32Å; I74-G103 WeakPolarHBondContact O-CA 3.22Å; I74-A105 HydrophobicContact CD1-CB 3.3Å; I74-A105 VanDerWaalsContact CD1-N 3.29Å; I74-W127 HydrophobicContact CG2-CZ3 4.13Å
75	S	78.8	Confident	82.2	Confident	17 Å²	17	60.4 Å²	60.4	12%	0.119	30%	0.301	C	S	.	.			trans	-53.9	138.7	174.9	-177.2	0	0	0	0	111.7	H77 A78	S75-H77 PolarHBondContact O-N 2.78Å; S75-H77 PolarHBondContact OG-N 3.07Å; S75-A78 VanDerWaalsContact O-CB 3.27Å; S75-A78 WeakPolarHBondContact O-CB 3.36Å; S75-A78 PolarHBondContact O-N 3.11Å
76	R	71.7	Confident	82.7	Confident	214 Å²	214	60.1 Å²	60.1	81%	0.808	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-20.8	176.2	-54.9	-169.2	177.3	174.6	-1.2	113.4	I74 C102	I74-R76 PolarHBondContact O-N 3.37Å; R76-C102 VanDerWaalsContact CG-SG 3.56Å
77	H	69.4	Low	83.5	Confident	150 Å²	150	58.5 Å²	58.5	69%	0.694	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.5	12.9	-179.8	-52.6	96.1	0	0	0	113.5	S75 K128	S75-H77 PolarHBondContact O-N 2.78Å; S75-H77 PolarHBondContact OG-N 3.07Å; H77-K128 PolarHBondContact O-NZ 3.45Å
78	A	72.3	Confident	83.9	Confident	11 Å²	11	60.4 Å²	60.4	9%	0.091	30%	0.296	C	S	.	.			trans	-95.7	99.2	177.3	0	0	0	0	0	110.9	I74 S75 F99 W127	I74-A78 HydrophobicContact CG2-CB 3.47Å; I74-A78 VanDerWaalsContact CG2-CB 3.47Å; S75-A78 VanDerWaalsContact O-CB 3.27Å; S75-A78 WeakPolarHBondContact O-CB 3.36Å; S75-A78 PolarHBondContact O-N 3.11Å; A78-F99 WeakPolarHBondContact O-CE1 3.01Å; A78-W127 HydrophobicContact CB-CE3 4.39Å; A78-W127 HydrophobicContact CB-CH2 3.37Å; A78-W127 HydrophobicContact CB-CZ2 4.49Å; A78-W127 HydrophobicContact CB-CZ3 3.3Å
79	G	74.9	Confident	84.2	Confident	37 Å²	37	64.5 Å²	64.5	38%	0.381	33%	0.326	S	S	.	.			trans	-89.3	172.9	168.8	0	0	0	0	0	112.9	S81 V82 M83	G79-S81 PolarHBondContact O-N 2.77Å; G79-V82 PolarHBondContact O-N 2.95Å; G79-V82 VanDerWaalsContact O-N 3.13Å; G79-M83 PolarHBondContact O-N 3.29Å
80	F	81.5	Confident	84.2	Confident	101 Å²	101	66.5 Å²	66.5	44%	0.443	34%	0.336	S	S	.	.	H	α-helix	trans	-47.9	-53.3	178.8	176.1	-92.9	0	0	0	113.4	V82 M83 K84 I97 F99	F80-V82 VanDerWaalsContact C-N 3.28Å; F80-V82 PolarHBondContact O-N 2.97Å; F80-M83 PolarHBondContact O-N 2.88Å; F80-K84 HydrophobicContact CE1-CD 4.09Å; F80-K84 HydrophobicContact CZ-CD 4.31Å; F80-K84 VanDerWaalsContact O-CB 3.26Å; F80-K84 WeakPolarHBondContact O-CB 3.32Å; F80-K84 PolarHBondContact O-N 3.18Å; F80-I97 HydrophobicContact CD2-CB 3.88Å; F80-I97 HydrophobicContact CD2-CD1 4.31Å; F80-I97 HydrophobicContact CD2-CG2 4.34Å; F80-I97 HydrophobicContact CE2-CB 3.84Å; F80-I97 HydrophobicContact CE2-CD1 4.1Å; F80-I97 HydrophobicContact CE2-CG1 4.16Å; F80-F99 HydrophobicContact CB-CE2 4.36Å
81	S	79.5	Confident	84.3	Confident	82 Å²	82	70 Å²	70	57%	0.573	36%	0.357	S	S	*	.	H	α-helix	trans	-63.9	-33.7	-176.2	-52.6	0	0	0	0	113.1	G79 K85	G79-S81 PolarHBondContact O-N 2.77Å; S81-K85 WeakPolarHBondContact O-CG 3.49Å; S81-K85 PolarHBondContact O-N 2.82Å
82	V	83.8	Confident	84.4	Confident	59 Å²	59	70.3 Å²	70.3	36%	0.358	36%	0.358	S	S	.	.	H	α-helix	trans	-76.4	-42.8	-178.5	-179.9	0	0	0	0	110.3	G79 F80 K85 M86 W127	G79-V82 PolarHBondContact O-N 2.95Å; G79-V82 VanDerWaalsContact O-N 3.13Å; F80-V82 VanDerWaalsContact C-N 3.28Å; F80-V82 PolarHBondContact O-N 2.97Å; V82-K85 PolarHBondContact O-N 2.68Å; V82-M86 PolarHBondContact O-N 3.38Å; V82-M86 VanDerWaalsContact O-N 3.13Å; V82-W127 HydrophobicContact CG1-CH2 4.16Å; V82-W127 HydrophobicContact CG1-CZ2 3.64Å
83	M	87	Confident	84.4	Confident	0 Å²	0	72.9 Å²	72.9	0%	0	37%	0.369	C	S	.	.	H	α-helix	trans	-66.1	-41.5	173.9	-178.4	170.6	-75.4	0	0	111.6	L71 I74 G79 F80 K85 M86 L87 I97 F99 A105 L107 W127	L71-M83 HydrophobicContact CD1-CE 4.42Å; L71-M83 HydrophobicContact CD1-SD 4.45Å; I74-M83 HydrophobicContact CD1-CE 3.73Å; I74-M83 HydrophobicContact CG1-CE 4.05Å; I74-M83 HydrophobicContact CG2-CE 3.98Å; G79-M83 PolarHBondContact O-N 3.29Å; F80-M83 PolarHBondContact O-N 2.88Å; M83-K85 VanDerWaalsContact C-N 3.3Å; M83-K85 PolarHBondContact O-N 3.28Å; M83-M86 HydrophobicContact CG-CE 4.4Å; M83-M86 PolarHBondContact O-N 3.47Å; M83-M86 VanDerWaalsContact O-N 3.12Å; M83-L87 HydrophobicContact CG-CD1 3.78Å; M83-L87 HydrophobicContact CG-CG 4.01Å; M83-L87 WeakPolarHBondContact O-CG 3.32Å; M83-L87 PolarHBondContact O-N 3.16Å; M83-L87 HydrophobicContact SD-CD1 4.43Å; M83-I97 HydrophobicContact CG-CD1 4.44Å; M83-I97 HydrophobicContact SD-CG2 3.8Å; M83-F99 HydrophobicContact CB-CE2 4.47Å; M83-F99 HydrophobicContact CB-CZ 3.87Å; M83-F99 HydrophobicContact CE-CE1 3.73Å; M83-F99 HydrophobicContact CE-CZ 3.57Å; M83-F99 HydrophobicContact CG-CZ 4.27Å; M83-F99 HydrophobicContact SD-CE1 4.1Å; M83-F99 HydrophobicContact SD-CE2 4.12Å; M83-F99 HydrophobicContact SD-CZ 3.41Å; M83-F99 WeakPolarHBondContact SD-CZ 2.96Å; M83-A105 HydrophobicContact CE-CB 4.17Å; M83-A105 HydrophobicContact SD-CB 4.14Å; M83-L107 HydrophobicContact SD-CD2 4.13Å; M83-W127 HydrophobicContact CB-CH2 4.01Å; M83-W127 HydrophobicContact CE-CH2 4.41Å; M83-W127 HydrophobicContact CE-CZ3 3.89Å
84	K	89	Confident	84.5	Confident	83 Å²	83	70.5 Å²	70.5	36%	0.361	36%	0.355	S	S	.	.	H	α-helix	trans	-52.5	-49.3	175.6	179.8	169.3	-174.6	-177.4	0	111.3	F80 L87 Q88 F94 I97	F80-K84 HydrophobicContact CE1-CD 4.09Å; F80-K84 HydrophobicContact CZ-CD 4.31Å; F80-K84 VanDerWaalsContact O-CB 3.26Å; F80-K84 WeakPolarHBondContact O-CB 3.32Å; F80-K84 PolarHBondContact O-N 3.18Å; K84-L87 PolarHBondContact O-N 3.28Å; K84-Q88 WeakPolarHBondContact O-CB 3.37Å; K84-Q88 VanDerWaalsContact O-CG 3.23Å; K84-Q88 WeakPolarHBondContact O-CG 3.48Å; K84-Q88 PolarHBondContact O-N 2.91Å; K84-F94 HydrophobicContact CG-CZ 3.85Å; K84-I97 HydrophobicContact CB-CD1 4.19Å
85	K	88.7	Confident	84.6	Confident	153 Å²	153	72.3 Å²	72.3	67%	0.665	37%	0.367	S	S	*	.	H	α-helix	trans	-62.2	-43.8	177.1	-72.7	-179.1	179.9	-171.9	0	112.5	S81 V82 M83 Q88 S89	S81-K85 WeakPolarHBondContact O-CG 3.49Å; S81-K85 PolarHBondContact O-N 2.82Å; V82-K85 PolarHBondContact O-N 2.68Å; M83-K85 VanDerWaalsContact C-N 3.3Å; M83-K85 PolarHBondContact O-N 3.28Å; K85-Q88 PolarHBondContact O-N 2.9Å; K85-S89 PolarHBondContact O-N 3.01Å; K85-S89 PolarHBondContact O-OG 2.74Å
86	M	90	Very high	84.9	Confident	12 Å²	12	76 Å²	76	6%	0.059	38%	0.381	C	S	.	.	H	α-helix	trans	-61	-49.2	177.1	-178.9	-147.1	71.8	0	0	111.3	V82 M83 Q88 S89 L90 L122 W127 M132	V82-M86 PolarHBondContact O-N 3.38Å; V82-M86 VanDerWaalsContact O-N 3.13Å; M83-M86 HydrophobicContact CG-CE 4.4Å; M83-M86 PolarHBondContact O-N 3.47Å; M83-M86 VanDerWaalsContact O-N 3.12Å; M86-Q88 VanDerWaalsContact C-N 3.31Å; M86-Q88 PolarHBondContact O-N 3.48Å; M86-S89 WeakPolarHBondContact CA-OG 3.32Å; M86-S89 PolarHBondContact O-N 3.06Å; M86-S89 VanDerWaalsContact O-N 3.16Å; M86-S89 PolarHBondContact O-OG 2.81Å; M86-L90 HydrophobicContact CE-CD1 4.21Å; M86-L90 HydrophobicContact CG-CD1 4.09Å; M86-L90 WeakPolarHBondContact O-CG 3.39Å; M86-L90 PolarHBondContact O-N 3.44Å; M86-L90 HydrophobicContact SD-CD1 4.41Å; M86-L122 HydrophobicContact CE-CD2 3.9Å; M86-W127 HydrophobicContact CB-CZ2 3.93Å; M86-W127 HydrophobicContact CG-CD2 4.3Å; M86-W127 HydrophobicContact CG-CG 4.31Å; M86-W127 HydrophobicContact CG-CZ2 4.3Å; M86-W127 HydrophobicContact SD-CB 4.12Å; M86-W127 HydrophobicContact SD-CD2 3.34Å; M86-W127 HydrophobicContact SD-CE3 3.76Å; M86-W127 HydrophobicContact SD-CG 3.52Å; M86-W127 VanDerWaalsContact SD-CG 3.52Å; M86-W127 HydrophobicContact SD-CH2 4.32Å; M86-W127 HydrophobicContact SD-CZ2 3.97Å; M86-W127 HydrophobicContact SD-CZ3 4.22Å; M86-M132 HydrophobicContact CE-CE 4.3Å; M86-M132 HydrophobicContact SD-CE 4.08Å
87	L	91.8	Very high	85.6	Confident	0 Å²	0	66.4 Å²	66.4	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-60.3	-42.1	178.6	-67.5	173.5	0	0	0	111.5	M83 K84 L90 N91 V92 F94 I97 L107 L122	M83-L87 HydrophobicContact CG-CD1 3.78Å; M83-L87 HydrophobicContact CG-CG 4.01Å; M83-L87 WeakPolarHBondContact O-CG 3.32Å; M83-L87 PolarHBondContact O-N 3.16Å; M83-L87 HydrophobicContact SD-CD1 4.43Å; K84-L87 PolarHBondContact O-N 3.28Å; L87-L90 CarbonylContact O-C 3.54Å; L87-L90 PolarHBondContact O-N 3.28Å; L87-N91 PolarHBondContact O-N 3.46Å; L87-V92 HydrophobicContact CB-CB 4.21Å; L87-V92 HydrophobicContact CD2-CB 4.11Å; L87-V92 HydrophobicContact CD2-CG1 4.08Å; L87-V92 HydrophobicContact CD2-CG2 4.34Å; L87-V92 PolarHBondContact O-N 3.3Å; L87-F94 HydrophobicContact CB-CD1 3.65Å; L87-F94 HydrophobicContact CB-CE1 3.59Å; L87-F94 HydrophobicContact CD1-CD1 3.63Å; L87-F94 HydrophobicContact CD1-CE1 3.99Å; L87-F94 HydrophobicContact CD1-CG 4.04Å; L87-F94 HydrophobicContact CG-CD1 4.25Å; L87-F94 HydrophobicContact CG-CE1 4.45Å; L87-I97 HydrophobicContact CD1-CD1 3.69Å; L87-I97 HydrophobicContact CD1-CG1 4.22Å; L87-L107 HydrophobicContact CD1-CD1 3.78Å; L87-L107 HydrophobicContact CD1-CD2 3.79Å; L87-L107 HydrophobicContact CD1-CG 4.48Å; L87-L107 HydrophobicContact CD2-CD1 3.73Å; L87-L107 HydrophobicContact CG-CD1 4.44Å; L87-L122 HydrophobicContact CD2-CD1 3.76Å; L87-L122 HydrophobicContact CD2-CD2 3.89Å; L87-L122 HydrophobicContact CD2-CG 4.45Å
88	Q	91.5	Very high	86.3	Confident	101 Å²	101	63.4 Å²	63.4	47%	0.472	33%	0.331	S	S	.	.	H	α-helix	trans	-63.1	-41.9	174.9	-73.3	174.6	-37.3	0	0	112.3	K84 K85 M86 L90 N91 F94	K84-Q88 WeakPolarHBondContact O-CB 3.37Å; K84-Q88 VanDerWaalsContact O-CG 3.23Å; K84-Q88 WeakPolarHBondContact O-CG 3.48Å; K84-Q88 PolarHBondContact O-N 2.91Å; K85-Q88 PolarHBondContact O-N 2.9Å; M86-Q88 VanDerWaalsContact C-N 3.31Å; M86-Q88 PolarHBondContact O-N 3.48Å; Q88-L90 PolarHBondContact O-N 3.47Å; Q88-N91 PolarHBondContact O-N 3.29Å; Q88-N91 PolarHBondContact O-OD1 2.99Å; Q88-F94 HydrophobicContact CG-CE1 4.25Å
89	S	91	Very high	86.7	Confident	91 Å²	91	66.1 Å²	66.1	64%	0.636	34%	0.341	S	S	*	.	H	α-helix	trans	-66	-24.5	176.3	65	0	0	0	0	113.5	K85 M86 N91	K85-S89 PolarHBondContact O-N 3.01Å; K85-S89 PolarHBondContact O-OG 2.74Å; M86-S89 WeakPolarHBondContact CA-OG 3.32Å; M86-S89 PolarHBondContact O-N 3.06Å; M86-S89 VanDerWaalsContact O-N 3.16Å; M86-S89 PolarHBondContact O-OG 2.81Å; S89-N91 VanDerWaalsContact C-N 3.31Å
90	L	91	Very high	86.6	Confident	41 Å²	41	67.7 Å²	67.7	22%	0.215	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	8.4	175	-64.6	175.2	0	0	0	112.4	M86 L87 Q88 V92 V121 L122	M86-L90 HydrophobicContact CE-CD1 4.21Å; M86-L90 HydrophobicContact CG-CD1 4.09Å; M86-L90 WeakPolarHBondContact O-CG 3.39Å; M86-L90 PolarHBondContact O-N 3.44Å; M86-L90 HydrophobicContact SD-CD1 4.41Å; L87-L90 CarbonylContact O-C 3.54Å; L87-L90 PolarHBondContact O-N 3.28Å; Q88-L90 PolarHBondContact O-N 3.47Å; L90-V92 HydrophobicContact CB-CG2 4Å; L90-V92 PolarHBondContact O-N 2.88Å; L90-V92 VanDerWaalsContact O-N 3.11Å; L90-V121 HydrophobicContact CB-CG1 3.98Å; L90-V121 HydrophobicContact CD1-CG1 4.23Å; L90-V121 HydrophobicContact CD2-CG1 4.42Å; L90-V121 HydrophobicContact CG-CG1 4.44Å; L90-L122 HydrophobicContact CD1-CD2 3.8Å
91	N	91.3	Very high	86.2	Confident	128 Å²	128	70.4 Å²	70.4	68%	0.684	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.7	26.7	-175.6	-67.9	-28.9	0	0	0	114.4	L87 Q88 S89 K93	L87-N91 PolarHBondContact O-N 3.46Å; Q88-N91 PolarHBondContact O-N 3.29Å; Q88-N91 PolarHBondContact O-OD1 2.99Å; S89-N91 VanDerWaalsContact C-N 3.31Å; N91-K93 PolarHBondContact O-N 3.02Å
92	V	91.1	Very high	86.1	Confident	5 Å²	5	71.1 Å²	71.1	3%	0.03	36%	0.36	C	S	.	.			trans	-77.3	114.1	176.5	177.1	0	0	0	0	108.8	L87 L90 F94 F109 F117 A118 V121 L122	L87-V92 HydrophobicContact CB-CB 4.21Å; L87-V92 HydrophobicContact CD2-CB 4.11Å; L87-V92 HydrophobicContact CD2-CG1 4.08Å; L87-V92 HydrophobicContact CD2-CG2 4.34Å; L87-V92 PolarHBondContact O-N 3.3Å; L90-V92 HydrophobicContact CB-CG2 4Å; L90-V92 PolarHBondContact O-N 2.88Å; L90-V92 VanDerWaalsContact O-N 3.11Å; V92-F94 VanDerWaalsContact O-CD1 3.27Å; V92-F94 WeakPolarHBondContact O-CD1 3.34Å; V92-F94 PolarHBondContact O-N 3.5Å; V92-F109 HydrophobicContact CG1-CE1 3.79Å; V92-F109 HydrophobicContact CG1-CZ 4.38Å; V92-F117 HydrophobicContact CG2-CE1 4.48Å; V92-A118 HydrophobicContact CG1-CB 3.67Å; V92-V121 HydrophobicContact CG2-CG1 4.22Å; V92-L122 HydrophobicContact CG2-CD2 4.48Å; V92-L122 HydrophobicContact CG2-CG 4.44Å
93	K	89.5	Confident	86	Confident	145 Å²	145	69.4 Å²	69.4	63%	0.63	35%	0.354	S	S	*	.			trans	-82.7	92.8	177.3	-65.5	-178.9	-176.5	174.6	0	110.6	N91 F109 D114	N91-K93 PolarHBondContact O-N 3.02Å; K93-F109 WeakPolarHBondContact O-CD1 3.3Å; K93-D114 HydrophobicContact CB-CB 4.5Å
94	F	89.2	Confident	85.9	Confident	42 Å²	42	71.1 Å²	71.1	18%	0.184	36%	0.363	C	S	.	.			trans	-106.9	150.7	177.5	64.4	-86.2	0	0	0	111.2	K84 L87 Q88 V92 I97 F109	K84-F94 HydrophobicContact CG-CZ 3.85Å; L87-F94 HydrophobicContact CB-CD1 3.65Å; L87-F94 HydrophobicContact CB-CE1 3.59Å; L87-F94 HydrophobicContact CD1-CD1 3.63Å; L87-F94 HydrophobicContact CD1-CE1 3.99Å; L87-F94 HydrophobicContact CD1-CG 4.04Å; L87-F94 HydrophobicContact CG-CD1 4.25Å; L87-F94 HydrophobicContact CG-CE1 4.45Å; Q88-F94 HydrophobicContact CG-CE1 4.25Å; V92-F94 VanDerWaalsContact O-CD1 3.27Å; V92-F94 WeakPolarHBondContact O-CD1 3.34Å; V92-F94 PolarHBondContact O-N 3.5Å; F94-I97 HydrophobicContact CD2-CD1 3.88Å; F94-I97 HydrophobicContact CD2-CG1 3.57Å; F94-I97 HydrophobicContact CE2-CD1 3.64Å; F94-I97 HydrophobicContact CE2-CG1 3.78Å; F94-I97 HydrophobicContact CG-CG1 4.29Å; F94-I97 HydrophobicContact CZ-CD1 4.07Å; F94-F109 HydrophobicContact CB-CE1 4.18Å
95	C	84	Confident	85.8	Confident	46 Å²	46	67.1 Å²	67.1	31%	0.311	35%	0.346	S	S	.	.	S	Bend	trans	-97.2	-36.2	175.2	-50.9	0	0	0	0	111.4	F62 S108 E110	F62-C95 HydrophobicContact CE2-CB 4.08Å; F62-C95 HydrophobicContact CZ-CB 3.81Å; C95-S108 PolarHBondContact N-O 3.41Å; C95-E110 WeakPolarHBondContact SG-CG 3.47Å; C95-E110 PolarHBondContact SG-N 2.93Å; C95-E110 PolarHBondContact SG-OE1 3.2Å
96	K	84	Confident	85.8	Confident	95 Å²	95	61.2 Å²	61.2	41%	0.413	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	144.2	-175.8	-162.7	170.5	-171.1	164.8	0	112.1	K98 L107 S108	K96-K98 VanDerWaalsContact CE-CE 3.48Å; K96-L107 WeakPolarHBondContact O-CA 3.18Å; K96-S108 PolarHBondContact N-O 2.96Å; K96-S108 PolarHBondContact O-N 2.91Å
97	I	87.5	Confident	85.7	Confident	13 Å²	13	60.6 Å²	60.6	7%	0.067	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	130	173.5	-47.4	178.3	0	0	0	107.8	F80 M83 K84 L87 F94 F99 L107	F80-I97 HydrophobicContact CD2-CB 3.88Å; F80-I97 HydrophobicContact CD2-CD1 4.31Å; F80-I97 HydrophobicContact CD2-CG2 4.34Å; F80-I97 HydrophobicContact CE2-CB 3.84Å; F80-I97 HydrophobicContact CE2-CD1 4.1Å; F80-I97 HydrophobicContact CE2-CG1 4.16Å; M83-I97 HydrophobicContact CG-CD1 4.44Å; M83-I97 HydrophobicContact SD-CG2 3.8Å; K84-I97 HydrophobicContact CB-CD1 4.19Å; L87-I97 HydrophobicContact CD1-CD1 3.69Å; L87-I97 HydrophobicContact CD1-CG1 4.22Å; F94-I97 HydrophobicContact CD2-CD1 3.88Å; F94-I97 HydrophobicContact CD2-CG1 3.57Å; F94-I97 HydrophobicContact CE2-CD1 3.64Å; F94-I97 HydrophobicContact CE2-CG1 3.78Å; F94-I97 HydrophobicContact CG-CG1 4.29Å; F94-I97 HydrophobicContact CZ-CD1 4.07Å; I97-F99 HydrophobicContact CG2-CD2 4.09Å; I97-F99 HydrophobicContact CG2-CE2 3.47Å; I97-F99 VanDerWaalsContact CG2-CE2 3.47Å; I97-F99 HydrophobicContact CG2-CZ 4.15Å; I97-L107 HydrophobicContact CB-CD2 4.09Å; I97-L107 HydrophobicContact CG1-CD2 3.85Å; I97-L107 HydrophobicContact CG2-CD2 3.73Å
98	K	83.3	Confident	85.5	Confident	86 Å²	86	60.8 Å²	60.8	37%	0.374	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	135.9	173.1	-70.8	-176.9	-179.2	172.9	0	110.6	K96 P100 A105 F106	K96-K98 VanDerWaalsContact CE-CE 3.48Å; K98-P100 VanDerWaalsContact O-CD 3.25Å; K98-P100 WeakPolarHBondContact O-CD 3.27Å; K98-A105 CarbonylContact O-C 3.52Å; K98-A105 WeakPolarHBondContact O-CA 3.32Å; K98-F106 HydrophobicContact CB-CB 4.47Å; K98-F106 PolarHBondContact N-O 3.14Å; K98-F106 PolarHBondContact O-N 3.17Å
99	F	80.5	Confident	85.3	Confident	68 Å²	68	56 Å²	56	30%	0.298	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	83.5	172.4	-70.7	-91	0	0	0	109.6	I74 A78 F80 M83 I97 K101 A105	I74-F99 HydrophobicContact CG2-CE1 4.33Å; A78-F99 WeakPolarHBondContact O-CE1 3.01Å; F80-F99 HydrophobicContact CB-CE2 4.36Å; M83-F99 HydrophobicContact CB-CE2 4.47Å; M83-F99 HydrophobicContact CB-CZ 3.87Å; M83-F99 HydrophobicContact CE-CE1 3.73Å; M83-F99 HydrophobicContact CE-CZ 3.57Å; M83-F99 HydrophobicContact CG-CZ 4.27Å; M83-F99 HydrophobicContact SD-CE1 4.1Å; M83-F99 HydrophobicContact SD-CE2 4.12Å; M83-F99 HydrophobicContact SD-CZ 3.41Å; M83-F99 WeakPolarHBondContact SD-CZ 2.96Å; I97-F99 HydrophobicContact CG2-CD2 4.09Å; I97-F99 HydrophobicContact CG2-CE2 3.47Å; I97-F99 VanDerWaalsContact CG2-CE2 3.47Å; I97-F99 HydrophobicContact CG2-CZ 4.15Å; F99-K101 VanDerWaalsContact C-N 3.32Å; F99-A105 HydrophobicContact CD1-CB 3.93Å; F99-A105 HydrophobicContact CE1-CB 3.83Å; F99-A105 HydrophobicContact CG-CB 4.49Å; F99-A105 HydrophobicContact CZ-CB 4.28Å
100	P	74	Confident	84.9	Confident	71 Å²	71	58.2 Å²	58.2	46%	0.461	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	-33	-179.6	29.6	-38.6	0	0	0	112.7	K98 L104 F106	K98-P100 VanDerWaalsContact O-CD 3.25Å; K98-P100 WeakPolarHBondContact O-CD 3.27Å; P100-L104 HydrophobicContact CG-CD2 3.84Å; P100-L104 HydrophobicContact CG-CG 3.99Å; P100-F106 HydrophobicContact CG-CD2 3.72Å; P100-F106 HydrophobicContact CG-CE2 3.67Å
101	K	72.9	Confident	84.6	Confident	158 Å²	158	57.6 Å²	57.6	69%	0.687	30%	0.296	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-148.5	158.8	-178.4	-64.8	-173.7	-179.2	-179	0	109.8	F99 G103 L104	F99-K101 VanDerWaalsContact C-N 3.32Å; K101-G103 PolarHBondContact O-N 2.81Å; K101-L104 PolarHBondContact O-N 3.22Å
102	C	76.2	Confident	84.3	Confident	96 Å²	96	53 Å²	53	65%	0.649	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	136.1	173.6	-164.1	0	0	0	0	110.4	R76 L104	R76-C102 VanDerWaalsContact CG-SG 3.56Å; C102-L104 VanDerWaalsContact C-N 3.26Å; C102-L104 PolarHBondContact O-N 2.83Å
103	G	82.6	Confident	84.1	Confident	23 Å²	23	57.7 Å²	57.7	24%	0.237	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	80.8	-2.1	-178.3	0	0	0	0	0	115.9	N73 I74 K101	N73-G103 PolarHBondContact N-O 2.92Å; I74-G103 PolarHBondContact N-O 3.32Å; I74-G103 WeakPolarHBondContact O-CA 3.22Å; K101-G103 PolarHBondContact O-N 2.81Å
104	L	85	Confident	84.2	Confident	36 Å²	36	52.4 Å²	52.4	19%	0.188	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	130.3	-176.7	180	65.1	0	0	0	110.7	Q70 L71 K72 P100 K101 C102 F106	Q70-L104 HydrophobicContact CG-CD1 3.5Å; L71-L104 WeakPolarHBondContact O-CA 3.5Å; K72-L104 HydrophobicContact CG-CD1 4.19Å; P100-L104 HydrophobicContact CG-CD2 3.84Å; P100-L104 HydrophobicContact CG-CG 3.99Å; K101-L104 PolarHBondContact O-N 3.22Å; C102-L104 VanDerWaalsContact C-N 3.26Å; C102-L104 PolarHBondContact O-N 2.83Å; L104-F106 HydrophobicContact CD2-CE2 4.27Å; L104-F106 HydrophobicContact CD2-CZ 4.44Å
105	A	86.3	Confident	84.3	Confident	0 Å²	0	51 Å²	51	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	155.3	168.6	0	0	0	0	0	111.2	L71 I74 M83 K98 F99	L71-A105 HydrophobicContact CB-CB 4.39Å; L71-A105 PolarHBondContact N-O 3.3Å; L71-A105 PolarHBondContact O-N 3.06Å; I74-A105 HydrophobicContact CD1-CB 3.3Å; I74-A105 VanDerWaalsContact CD1-N 3.29Å; M83-A105 HydrophobicContact CE-CB 4.17Å; M83-A105 HydrophobicContact SD-CB 4.14Å; K98-A105 CarbonylContact O-C 3.52Å; K98-A105 WeakPolarHBondContact O-CA 3.32Å; F99-A105 HydrophobicContact CD1-CB 3.93Å; F99-A105 HydrophobicContact CE1-CB 3.83Å; F99-A105 HydrophobicContact CG-CB 4.49Å; F99-A105 HydrophobicContact CZ-CB 4.28Å
106	F	88.3	Confident	84.6	Confident	28 Å²	28	51.8 Å²	51.8	12%	0.123	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	130.7	168.3	-67.9	-72.6	0	0	0	109.2	K68 I69 Q70 K98 P100 L104 A137	K68-F106 HydrophobicContact CD-CD1 4.38Å; K68-F106 VanDerWaalsContact CE-CG 3.46Å; K68-F106 HydrophobicContact CG-CB 4.48Å; K68-F106 HydrophobicContact CG-CD1 4.41Å; I69-F106 WeakPolarHBondContact O-CA 3.17Å; Q70-F106 HydrophobicContact CB-CD1 4.06Å; Q70-F106 HydrophobicContact CB-CE1 3.77Å; Q70-F106 HydrophobicContact CG-CD1 4.28Å; Q70-F106 HydrophobicContact CG-CE1 3.74Å; Q70-F106 HydrophobicContact CG-CZ 4.36Å; K98-F106 HydrophobicContact CB-CB 4.47Å; K98-F106 PolarHBondContact N-O 3.14Å; K98-F106 PolarHBondContact O-N 3.17Å; P100-F106 HydrophobicContact CG-CD2 3.72Å; P100-F106 HydrophobicContact CG-CE2 3.67Å; L104-F106 HydrophobicContact CD2-CE2 4.27Å; L104-F106 HydrophobicContact CD2-CZ 4.44Å; F106-A137 HydrophobicContact CD1-CB 3.89Å; F106-A137 HydrophobicContact CE1-CB 3.85Å
107	L	89.2	Confident	85.1	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	137.8	170.3	-49.6	-176	0	0	0	109.2	K68 I69 L71 M83 L87 K96 I97 F109 L122	K68-L107 CarbonylContact C-O 3.53Å; K68-L107 VanDerWaalsContact CA-O 3.29Å; K68-L107 WeakPolarHBondContact CA-O 3.42Å; I69-L107 HydrophobicContact CD1-CB 4.34Å; I69-L107 HydrophobicContact CD1-CD1 4.1Å; I69-L107 HydrophobicContact CD1-CG 4.46Å; I69-L107 HydrophobicContact CG1-CB 3.97Å; I69-L107 HydrophobicContact CG1-CD1 4.49Å; I69-L107 HydrophobicContact CG1-CG 4.32Å; I69-L107 PolarHBondContact N-O 3.16Å; I69-L107 PolarHBondContact O-N 2.87Å; L71-L107 HydrophobicContact CD1-CD1 3.59Å; L71-L107 HydrophobicContact CD1-CD2 4.34Å; L71-L107 HydrophobicContact CD1-CG 3.79Å; L71-L107 HydrophobicContact CG-CD1 4.36Å; L71-L107 HydrophobicContact CG-CG 4.34Å; M83-L107 HydrophobicContact SD-CD2 4.13Å; L87-L107 HydrophobicContact CD1-CD1 3.78Å; L87-L107 HydrophobicContact CD1-CD2 3.79Å; L87-L107 HydrophobicContact CD1-CG 4.48Å; L87-L107 HydrophobicContact CD2-CD1 3.73Å; L87-L107 HydrophobicContact CG-CD1 4.44Å; K96-L107 WeakPolarHBondContact O-CA 3.18Å; I97-L107 HydrophobicContact CB-CD2 4.09Å; I97-L107 HydrophobicContact CG1-CD2 3.85Å; I97-L107 HydrophobicContact CG2-CD2 3.73Å; L107-F109 HydrophobicContact CB-CE2 3.63Å; L107-F109 HydrophobicContact CB-CZ 3.6Å; L107-F109 HydrophobicContact CD1-CZ 4.03Å; L107-F109 HydrophobicContact CG-CZ 4.48Å; L107-L122 HydrophobicContact CD1-CD1 3.79Å
108	S	86.3	Confident	85.3	Confident	3 Å²	3	51 Å²	51	2%	0.021	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	142.4	175	-52.1	0	0	0	0	109.9	S64 F67 C95 K96	S64-S108 WeakPolarHBondContact CB-OG 3.33Å; S64-S108 WeakPolarHBondContact O-CB 3.35Å; S64-S108 PolarHBondContact O-OG 3.32Å; F67-S108 CarbonylContact O-C 3.53Å; F67-S108 WeakPolarHBondContact O-CA 3.33Å; C95-S108 PolarHBondContact N-O 3.41Å; K96-S108 PolarHBondContact N-O 2.96Å; K96-S108 PolarHBondContact O-N 2.91Å
109	F	88.2	Confident	85.7	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	26%	0.264	C	S	.	.			trans	-125.1	157.5	-173.2	-57.2	-89.5	0	0	0	110.5	F67 I69 V92 K93 F94 L107 D114 R115 A118	F67-F109 HydrophobicContact CB-CB 3.95Å; F67-F109 WeakPolarHBondContact O-CD2 3.23Å; F67-F109 PolarHBondContact O-N 2.86Å; I69-F109 HydrophobicContact CB-CE2 4.27Å; I69-F109 HydrophobicContact CD1-CE2 3.79Å; I69-F109 HydrophobicContact CD1-CZ 3.77Å; I69-F109 HydrophobicContact CG1-CE2 3.79Å; I69-F109 HydrophobicContact CG1-CZ 4.24Å; I69-F109 HydrophobicContact CG2-CD2 4.34Å; I69-F109 HydrophobicContact CG2-CE2 3.76Å; V92-F109 HydrophobicContact CG1-CE1 3.79Å; V92-F109 HydrophobicContact CG1-CZ 4.38Å; K93-F109 WeakPolarHBondContact O-CD1 3.3Å; F94-F109 HydrophobicContact CB-CE1 4.18Å; L107-F109 HydrophobicContact CB-CE2 3.63Å; L107-F109 HydrophobicContact CB-CZ 3.6Å; L107-F109 HydrophobicContact CD1-CZ 4.03Å; L107-F109 HydrophobicContact CG-CZ 4.48Å; F109-D114 HydrophobicContact CB-CB 4.31Å; F109-D114 HydrophobicContact CD1-CB 4.05Å; F109-R115 HydrophobicContact CB-CB 4.09Å; F109-R115 HydrophobicContact CD2-CB 3.8Å; F109-R115 HydrophobicContact CD2-CG 4.04Å; F109-R115 HydrophobicContact CE2-CB 4.5Å; F109-R115 HydrophobicContact CE2-CG 4.48Å; F109-R115 HydrophobicContact CG-CB 3.94Å; F109-A118 HydrophobicContact CD1-CB 4.37Å; F109-A118 HydrophobicContact CE1-CB 3.39Å; F109-A118 HydrophobicContact CE2-CB 4.28Å; F109-A118 HydrophobicContact CZ-CB 3.33Å
110	E	82	Confident	86.2	Confident	138 Å²	138	50.8 Å²	50.8	65%	0.645	28%	0.283	S	S	*	.	S	Bend	trans	-79.6	-28	177.7	-104.9	157	-129.9	0	0	112	F62 F67 C95	F62-E110 HydrophobicContact CD2-CG 4.13Å; F62-E110 HydrophobicContact CE2-CG 4.11Å; F67-E110 WeakPolarHBondContact CD2-O 3.3Å; C95-E110 WeakPolarHBondContact SG-CG 3.47Å; C95-E110 PolarHBondContact SG-N 2.93Å; C95-E110 PolarHBondContact SG-OE1 3.2Å
111	S	84.6	Confident	87	Confident	29 Å²	29	49.3 Å²	49.3	20%	0.203	27%	0.273	C	S	.	.	S	Bend	trans	-137.7	157.7	-174.3	69.5	0	0	0	0	111.5	T113 D114 R115	S111-T113 VanDerWaalsContact C-N 3.27Å; S111-T113 PolarHBondContact O-N 2.57Å; S111-T113 PolarHBondContact OG-OG1 2.84Å; S111-D114 WeakPolarHBondContact OG-CB 3.29Å; S111-D114 PolarHBondContact OG-N 2.86Å; S111-D114 PolarHBondContact OG-OD2 3.43Å; S111-R115 PolarHBondContact O-N 3.4Å
112	A	84.8	Confident	88	Confident	31 Å²	31	41.8 Å²	41.8	26%	0.256	24%	0.241	S	C	.	.	H	α-helix	trans	-61.6	-37.6	169.8	0	0	0	0	0	111.6	F67 D114 R115 D116	F67-A112 HydrophobicContact CD1-CB 3.9Å; F67-A112 HydrophobicContact CE1-CB 3.71Å; F67-A112 HydrophobicContact CZ-CB 4.4Å; A112-D114 PolarHBondContact O-N 2.92Å; A112-R115 WeakPolarHBondContact O-CB 3.29Å; A112-R115 PolarHBondContact O-N 3.06Å; A112-D116 WeakPolarHBondContact O-CB 3.35Å; A112-D116 PolarHBondContact O-N 2.71Å
113	T	88.4	Confident	88.8	Confident	103 Å²	103	41.4 Å²	41.4	63%	0.632	23%	0.232	S	C	*	.	H	α-helix	trans	-62.6	-44.6	-179.6	50.8	0	0	0	0	112	S111 D116 F117	S111-T113 VanDerWaalsContact C-N 3.27Å; S111-T113 PolarHBondContact O-N 2.57Å; S111-T113 PolarHBondContact OG-OG1 2.84Å; T113-D116 PolarHBondContact O-N 2.97Å; T113-F117 VanDerWaalsContact O-CB 3.3Å; T113-F117 WeakPolarHBondContact O-CB 3.25Å; T113-F117 PolarHBondContact O-N 3.46Å
114	D	90.5	Very high	89.1	Confident	35 Å²	35	41.6 Å²	41.6	19%	0.187	23%	0.234	C	C	.	.	H	α-helix	trans	-67.3	-36.9	176.6	-66.5	-46.4	0	0	0	111.9	K93 F109 S111 A112 A118	K93-D114 HydrophobicContact CB-CB 4.5Å; F109-D114 HydrophobicContact CB-CB 4.31Å; F109-D114 HydrophobicContact CD1-CB 4.05Å; S111-D114 WeakPolarHBondContact OG-CB 3.29Å; S111-D114 PolarHBondContact OG-N 2.86Å; S111-D114 PolarHBondContact OG-OD2 3.43Å; A112-D114 PolarHBondContact O-N 2.92Å; D114-A118 VanDerWaalsContact O-CB 3.32Å; D114-A118 WeakPolarHBondContact O-CB 3.2Å; D114-A118 PolarHBondContact O-N 2.96Å
115	R	90.8	Very high	89.3	Confident	11 Å²	11	42.6 Å²	42.6	4%	0.042	24%	0.238	C	C	.	.	H	α-helix	trans	-60.9	-49.3	174.4	177.8	-156.8	67	-162.2	-5.6	111.1	F67 I69 F109 S111 A112 A118 I119	F67-R115 HydrophobicContact CB-CB 4.15Å; I69-R115 HydrophobicContact CG2-CG 3.42Å; I69-R115 VanDerWaalsContact CG2-CG 3.42Å; F109-R115 HydrophobicContact CB-CB 4.09Å; F109-R115 HydrophobicContact CD2-CB 3.8Å; F109-R115 HydrophobicContact CD2-CG 4.04Å; F109-R115 HydrophobicContact CE2-CB 4.5Å; F109-R115 HydrophobicContact CE2-CG 4.48Å; F109-R115 HydrophobicContact CG-CB 3.94Å; S111-R115 PolarHBondContact O-N 3.4Å; A112-R115 WeakPolarHBondContact O-CB 3.29Å; A112-R115 PolarHBondContact O-N 3.06Å; R115-A118 WeakPolarHBondContact O-CB 3.4Å; R115-A118 PolarHBondContact O-N 2.96Å; R115-I119 HydrophobicContact CG-CD1 4.36Å; R115-I119 WeakPolarHBondContact O-CG1 3.13Å; R115-I119 PolarHBondContact O-N 3.06Å
116	D	91.6	Very high	89.3	Confident	63 Å²	63	48.2 Å²	48.2	34%	0.337	27%	0.266	S	S	.	.	H	α-helix	trans	-71.9	-36.5	-174.9	-63.8	-21.9	0	0	0	111.4	A112 T113 A118 I119 T120	A112-D116 WeakPolarHBondContact O-CB 3.35Å; A112-D116 PolarHBondContact O-N 2.71Å; T113-D116 PolarHBondContact O-N 2.97Å; D116-A118 VanDerWaalsContact C-N 3.34Å; D116-I119 PolarHBondContact O-N 3Å; D116-T120 PolarHBondContact O-N 2.9Å; D116-T120 PolarHBondContact O-OG1 2.63Å
117	F	93.1	Very high	89	Confident	93 Å²	93	48.4 Å²	48.4	41%	0.408	27%	0.266	S	S	.	.	H	α-helix	trans	-57.4	-47.6	166.8	177.3	-100.7	0	0	0	111.4	V92 T113 I119 T120 V121	V92-F117 HydrophobicContact CG2-CE1 4.48Å; T113-F117 VanDerWaalsContact O-CB 3.3Å; T113-F117 WeakPolarHBondContact O-CB 3.25Å; T113-F117 PolarHBondContact O-N 3.46Å; F117-I119 VanDerWaalsContact C-N 3.34Å; F117-I119 PolarHBondContact O-N 2.74Å; F117-T120 WeakPolarHBondContact O-CB 3.2Å; F117-T120 PolarHBondContact O-N 3.1Å; F117-V121 HydrophobicContact CD1-CG2 4.29Å; F117-V121 HydrophobicContact CD2-CG2 4.27Å; F117-V121 HydrophobicContact CE1-CG2 3.85Å; F117-V121 HydrophobicContact CE2-CG2 3.83Å; F117-V121 HydrophobicContact CG-CG2 4.49Å; F117-V121 HydrophobicContact CZ-CG2 3.61Å; F117-V121 WeakPolarHBondContact O-CG2 3.43Å; F117-V121 PolarHBondContact O-N 3.46Å
118	A	91.9	Very high	88.5	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-62.2	-38.6	178.6	0	0	0	0	0	112.7	I69 V92 F109 D114 R115 D116 V121 L122	I69-A118 HydrophobicContact CD1-CB 4.16Å; V92-A118 HydrophobicContact CG1-CB 3.67Å; F109-A118 HydrophobicContact CD1-CB 4.37Å; F109-A118 HydrophobicContact CE1-CB 3.39Å; F109-A118 HydrophobicContact CE2-CB 4.28Å; F109-A118 HydrophobicContact CZ-CB 3.33Å; D114-A118 VanDerWaalsContact O-CB 3.32Å; D114-A118 WeakPolarHBondContact O-CB 3.2Å; D114-A118 PolarHBondContact O-N 2.96Å; R115-A118 WeakPolarHBondContact O-CB 3.4Å; R115-A118 PolarHBondContact O-N 2.96Å; D116-A118 VanDerWaalsContact C-N 3.34Å; A118-V121 PolarHBondContact O-N 3.05Å; A118-L122 HydrophobicContact CB-CD1 4.23Å; A118-L122 WeakPolarHBondContact O-CB 3.46Å; A118-L122 WeakPolarHBondContact O-CG 3.24Å; A118-L122 PolarHBondContact O-N 3.05Å
119	I	91.7	Very high	88.2	Confident	33 Å²	33	56.8 Å²	56.8	17%	0.169	32%	0.323	C	S	.	.	H	α-helix	trans	-61.9	-47	174.2	-67.1	168.6	0	0	0	110.1	I69 R115 D116 F117 V121 L122 N123 I136	I69-I119 HydrophobicContact CB-CG1 4.48Å; I69-I119 HydrophobicContact CG2-CD1 3.91Å; I69-I119 HydrophobicContact CG2-CG1 3.75Å; R115-I119 HydrophobicContact CG-CD1 4.36Å; R115-I119 WeakPolarHBondContact O-CG1 3.13Å; R115-I119 PolarHBondContact O-N 3.06Å; D116-I119 PolarHBondContact O-N 3Å; F117-I119 VanDerWaalsContact C-N 3.34Å; F117-I119 PolarHBondContact O-N 2.74Å; I119-V121 VanDerWaalsContact C-N 3.28Å; I119-V121 PolarHBondContact O-N 2.93Å; I119-L122 PolarHBondContact O-N 3.05Å; I119-N123 HydrophobicContact CG2-CB 4.48Å; I119-N123 WeakPolarHBondContact O-CB 3.38Å; I119-N123 PolarHBondContact O-N 3.38Å; I119-I136 HydrophobicContact CD1-CD1 4.41Å; I119-I136 HydrophobicContact CD1-CG1 3.57Å
120	T	91.9	Very high	88	Confident	115 Å²	115	58.1 Å²	58.1	71%	0.706	33%	0.332	S	S	*	.	H	α-helix	trans	-59.6	-40.1	-179.8	-54.8	0	0	0	0	111.7	D116 F117	D116-T120 PolarHBondContact O-N 2.9Å; D116-T120 PolarHBondContact O-OG1 2.63Å; F117-T120 WeakPolarHBondContact O-CB 3.2Å; F117-T120 PolarHBondContact O-N 3.1Å
121	V	91.8	Very high	88.4	Confident	41 Å²	41	58.1 Å²	58.1	25%	0.248	33%	0.33	C	S	.	.	H	α-helix	trans	-80.2	-37.7	-178.6	174.1	0	0	0	0	112.8	L90 V92 F117 A118 I119	L90-V121 HydrophobicContact CB-CG1 3.98Å; L90-V121 HydrophobicContact CD1-CG1 4.23Å; L90-V121 HydrophobicContact CD2-CG1 4.42Å; L90-V121 HydrophobicContact CG-CG1 4.44Å; V92-V121 HydrophobicContact CG2-CG1 4.22Å; F117-V121 HydrophobicContact CD1-CG2 4.29Å; F117-V121 HydrophobicContact CD2-CG2 4.27Å; F117-V121 HydrophobicContact CE1-CG2 3.85Å; F117-V121 HydrophobicContact CE2-CG2 3.83Å; F117-V121 HydrophobicContact CG-CG2 4.49Å; F117-V121 HydrophobicContact CZ-CG2 3.61Å; F117-V121 WeakPolarHBondContact O-CG2 3.43Å; F117-V121 PolarHBondContact O-N 3.46Å; A118-V121 PolarHBondContact O-N 3.05Å; I119-V121 VanDerWaalsContact C-N 3.28Å; I119-V121 PolarHBondContact O-N 2.93Å
122	L	92.2	Very high	88.6	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-94.1	-27.8	-170.3	-61.8	172.1	0	0	0	113.5	I69 L71 M86 L87 L90 V92 L107 A118 I119 G124 H125 M132 A134	I69-L122 HydrophobicContact CD1-CD1 4.12Å; L71-L122 HydrophobicContact CD1-CD1 4.2Å; L71-L122 HydrophobicContact CD2-CB 4.12Å; L71-L122 HydrophobicContact CD2-CD1 4.07Å; M86-L122 HydrophobicContact CE-CD2 3.9Å; L87-L122 HydrophobicContact CD2-CD1 3.76Å; L87-L122 HydrophobicContact CD2-CD2 3.89Å; L87-L122 HydrophobicContact CD2-CG 4.45Å; L90-L122 HydrophobicContact CD1-CD2 3.8Å; V92-L122 HydrophobicContact CG2-CD2 4.48Å; V92-L122 HydrophobicContact CG2-CG 4.44Å; L107-L122 HydrophobicContact CD1-CD1 3.79Å; A118-L122 HydrophobicContact CB-CD1 4.23Å; A118-L122 WeakPolarHBondContact O-CB 3.46Å; A118-L122 WeakPolarHBondContact O-CG 3.24Å; A118-L122 PolarHBondContact O-N 3.05Å; I119-L122 PolarHBondContact O-N 3.05Å; L122-G124 PolarHBondContact O-N 3.32Å; L122-H125 WeakPolarHBondContact O-CB 3.3Å; L122-H125 PolarHBondContact O-N 3.5Å; L122-H125 VanDerWaalsContact O-N 3.1Å; L122-M132 HydrophobicContact CD2-CE 4.1Å; L122-A134 HydrophobicContact CB-CB 4.03Å
123	N	93.3	Very high	88.9	Confident	88 Å²	88	58.3 Å²	58.3	47%	0.471	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	119.2	-179.7	-166.9	38.9	0	0	0	110.2	I119 H125 A134	I119-N123 HydrophobicContact CG2-CB 4.48Å; I119-N123 WeakPolarHBondContact O-CB 3.38Å; I119-N123 PolarHBondContact O-N 3.38Å; N123-H125 PolarHBondContact O-N 2.91Å; N123-A134 HydrophobicContact CB-CB 3.96Å; N123-A134 PolarHBondContact OD1-N 3.23Å; N123-A134 VanDerWaalsContact OD1-N 3.08Å
124	G	89.4	Confident	89	Confident	27 Å²	27	53.5 Å²	53.5	28%	0.278	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.1	-2.1	-175	0	0	0	0	0	114.9	L122 I126 K131 M132	L122-G124 PolarHBondContact O-N 3.32Å; G124-I126 PolarHBondContact O-N 3.39Å; G124-K131 WeakPolarHBondContact O-CG 3.38Å; G124-M132 WeakPolarHBondContact CA-O 3.36Å; G124-M132 PolarHBondContact N-O 3.38Å
125	H	88.8	Confident	88.9	Confident	57 Å²	57	57.7 Å²	57.7	26%	0.264	31%	0.309	S	S	.	.			trans	-64.8	129.1	176	-173	76.1	0	0	0	110.5	L122 N123 M132	L122-H125 WeakPolarHBondContact O-CB 3.3Å; L122-H125 PolarHBondContact O-N 3.5Å; L122-H125 VanDerWaalsContact O-N 3.1Å; N123-H125 PolarHBondContact O-N 2.91Å; H125-M132 HydrophobicContact CB-CE 3.84Å; H125-M132 PolarHBondContact O-N 3.17Å
126	I	86.6	Confident	88.6	Confident	118 Å²	118	61.7 Å²	61.7	61%	0.605	33%	0.33	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.2	112.9	179.6	-59	174.7	0	0	0	108.4	G124 K131	G124-I126 PolarHBondContact O-N 3.39Å; I126-K131 HydrophobicContact CG1-CB 4.36Å; I126-K131 HydrophobicContact CG1-CG 4.39Å
127	W	82.4	Confident	88.1	Confident	31 Å²	31	58.9 Å²	58.9	12%	0.117	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	124.5	178.8	-176.8	56.6	0	0	0	111.1	I74 A78 V82 M83 M86 G129 S130 M132	I74-W127 HydrophobicContact CG2-CZ3 4.13Å; A78-W127 HydrophobicContact CB-CE3 4.39Å; A78-W127 HydrophobicContact CB-CH2 3.37Å; A78-W127 HydrophobicContact CB-CZ2 4.49Å; A78-W127 HydrophobicContact CB-CZ3 3.3Å; V82-W127 HydrophobicContact CG1-CH2 4.16Å; V82-W127 HydrophobicContact CG1-CZ2 3.64Å; M83-W127 HydrophobicContact CB-CH2 4.01Å; M83-W127 HydrophobicContact CE-CH2 4.41Å; M83-W127 HydrophobicContact CE-CZ3 3.89Å; M86-W127 HydrophobicContact CB-CZ2 3.93Å; M86-W127 HydrophobicContact CG-CD2 4.3Å; M86-W127 HydrophobicContact CG-CG 4.31Å; M86-W127 HydrophobicContact CG-CZ2 4.3Å; M86-W127 HydrophobicContact SD-CB 4.12Å; M86-W127 HydrophobicContact SD-CD2 3.34Å; M86-W127 HydrophobicContact SD-CE3 3.76Å; M86-W127 HydrophobicContact SD-CG 3.52Å; M86-W127 VanDerWaalsContact SD-CG 3.52Å; M86-W127 HydrophobicContact SD-CH2 4.32Å; M86-W127 HydrophobicContact SD-CZ2 3.97Å; M86-W127 HydrophobicContact SD-CZ3 4.22Å; W127-G129 PolarHBondContact O-N 3.17Å; W127-S130 PolarHBondContact N-O 3.36Å; W127-S130 PolarHBondContact O-N 3.39Å; W127-M132 HydrophobicContact CB-CE 4.03Å; W127-M132 HydrophobicContact CB-SD 4.25Å; W127-M132 HydrophobicContact CE3-SD 4Å
128	K	78.7	Confident	87.4	Confident	109 Å²	109	63 Å²	63	47%	0.474	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.3	43.1	-174.7	-62.5	-170.5	172.6	-168.6	0	112.9	H77 S130	H77-K128 PolarHBondContact O-NZ 3.45Å; K128-S130 PolarHBondContact O-N 3Å
129	G	80.5	Confident	86.5	Confident	71 Å²	71	64.2 Å²	64.2	73%	0.732	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.6	-1.2	179.5	0	0	0	0	0	115.4	W127	W127-G129 PolarHBondContact O-N 3.17Å
130	S	84	Confident	85.8	Confident	28 Å²	28	67.8 Å²	67.8	20%	0.196	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	126.4	176.7	-52.9	0	0	0	0	110.2	N73 W127 K128 M132	N73-S130 VanDerWaalsContact O-CB 3.27Å; N73-S130 WeakPolarHBondContact O-CB 3.47Å; W127-S130 PolarHBondContact N-O 3.36Å; W127-S130 PolarHBondContact O-N 3.39Å; K128-S130 PolarHBondContact O-N 3Å; S130-M132 PolarHBondContact O-N 3.16Å
131	K	89.1	Confident	84.8	Confident	138 Å²	138	63.3 Å²	63.3	60%	0.6	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.9	110.6	173.5	-172.4	176.4	-176.3	178.6	0	109	N73 G124 I126	N73-K131 PolarHBondContact ND2-O 2.88Å; G124-K131 WeakPolarHBondContact O-CG 3.38Å; I126-K131 HydrophobicContact CG1-CB 4.36Å; I126-K131 HydrophobicContact CG1-CG 4.39Å
132	M	89.8	Confident	83.9	Confident	3 Å²	3	62.2 Å²	62.2	2%	0.015	32%	0.32	C	S	.	.			trans	-74.3	148	-177	-65.4	-174.2	-60.6	0	0	111.4	M86 L122 G124 H125 W127 S130	M86-M132 HydrophobicContact CE-CE 4.3Å; M86-M132 HydrophobicContact SD-CE 4.08Å; L122-M132 HydrophobicContact CD2-CE 4.1Å; G124-M132 WeakPolarHBondContact CA-O 3.36Å; G124-M132 PolarHBondContact N-O 3.38Å; H125-M132 HydrophobicContact CB-CE 3.84Å; H125-M132 PolarHBondContact O-N 3.17Å; W127-M132 HydrophobicContact CB-CE 4.03Å; W127-M132 HydrophobicContact CB-SD 4.25Å; W127-M132 HydrophobicContact CE3-SD 4Å; S130-M132 PolarHBondContact O-N 3.16Å
133	E	89.8	Confident	82.9	Confident	61 Å²	61	65.2 Å²	65.2	29%	0.285	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	121.1	171.6	178.6	-167.8	175.1	0	0	107.7	L71 K72 K135	L71-E133 WeakPolarHBondContact CA-O 3.48Å; K72-E133 HydrophobicContact CB-CB 4.25Å; K72-E133 PolarHBondContact N-O 3.13Å; K72-E133 PolarHBondContact O-N 2.98Å; E133-K135 HydrophobicContact CG-CD 4.42Å; E133-K135 HydrophobicContact CG-CG 4.42Å; E133-K135 VanDerWaalsContact OE1-CD 3.3Å; E133-K135 WeakPolarHBondContact OE1-CD 3.39Å; E133-K135 WeakPolarHBondContact OE1-CE 3.02Å; E133-K135 IonicContact OE1-NZ 2.88Å; E133-K135 PolarHBondContact OE1-NZ 3.22Å
134	A	90.7	Very high	81.9	Confident	2 Å²	2	61 Å²	61	2%	0.017	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	123	179.8	0	0	0	0	0	109.8	Q70 L71 L122 N123	Q70-A134 WeakPolarHBondContact O-CA 3.39Å; L71-A134 HydrophobicContact CD2-CB 3.41Å; L71-A134 VanDerWaalsContact CD2-CB 3.41Å; L122-A134 HydrophobicContact CB-CB 4.03Å; N123-A134 HydrophobicContact CB-CB 3.96Å; N123-A134 PolarHBondContact OD1-N 3.23Å; N123-A134 VanDerWaalsContact OD1-N 3.08Å
135	K	88.1	Confident	81.2	Confident	122 Å²	122	60.6 Å²	60.6	53%	0.53	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	154.3	179.2	-72.1	-178.9	170.6	166.5	0	110.3	I69 Q70 E133 A137	I69-K135 CarbonylContact C-O 3.57Å; I69-K135 VanDerWaalsContact CA-O 3.27Å; I69-K135 WeakPolarHBondContact CA-O 3.32Å; I69-K135 WeakPolarHBondContact CB-O 3.45Å; Q70-K135 PolarHBondContact N-O 2.87Å; Q70-K135 PolarHBondContact O-N 3.13Å; E133-K135 HydrophobicContact CG-CD 4.42Å; E133-K135 HydrophobicContact CG-CG 4.42Å; E133-K135 VanDerWaalsContact OE1-CD 3.3Å; E133-K135 WeakPolarHBondContact OE1-CD 3.39Å; E133-K135 WeakPolarHBondContact OE1-CE 3.02Å; E133-K135 IonicContact OE1-NZ 2.88Å; E133-K135 PolarHBondContact OE1-NZ 3.22Å; K135-A137 PolarHBondContact O-N 3.41Å
136	I	85.6	Confident	80.5	Confident	95 Å²	95	61.8 Å²	61.8	49%	0.487	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.1	128.4	170.5	-62.4	175.9	0	0	0	108.3	I119	I119-I136 HydrophobicContact CD1-CD1 4.41Å; I119-I136 HydrophobicContact CD1-CG1 3.57Å
137	A	81.2	Confident	79.8	Confident	5 Å²	5	61.9 Å²	61.9	4%	0.041	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-84.4	137.8	176.3	0	0	0	0	0	109.1	K68 Q70 F106 K135	K68-A137 HydrophobicContact CB-CB 4.17Å; K68-A137 HydrophobicContact CD-CB 4.02Å; K68-A137 HydrophobicContact CG-CB 3.77Å; K68-A137 PolarHBondContact O-N 2.9Å; Q70-A137 HydrophobicContact CB-CB 4.04Å; F106-A137 HydrophobicContact CD1-CB 3.89Å; F106-A137 HydrophobicContact CE1-CB 3.85Å; K135-A137 PolarHBondContact O-N 3.41Å
138	R	77.3	Confident	79.3	Confident	179 Å²	179	65.3 Å²	65.3	68%	0.675	32%	0.319	S	S	*	.	P	Polyproline II helix	trans	-63.2	132	166.8	-68.3	-175.4	-178	175	1.1	108.8
139	P	73.7	Confident	78.9	Confident	25 Å²	25	61 Å²	61	16%	0.162	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-62.4	147.8	173.9	26	-32.8	0	0	0	109.6	Y54 L57 E65	Y54-P139 HydrophobicContact CD1-CB 4.4Å; Y54-P139 HydrophobicContact CD1-CG 4.06Å; Y54-P139 HydrophobicContact CE1-CB 4.43Å; Y54-P139 HydrophobicContact CE1-CG 4.1Å; Y54-P139 WeakPolarHBondContact CE1-O 3.31Å; L57-P139 HydrophobicContact CD1-CB 3.68Å; L57-P139 HydrophobicContact CD1-CG 3.45Å; L57-P139 VanDerWaalsContact CD1-CG 3.45Å; L57-P139 HydrophobicContact CD2-CB 3.94Å; L57-P139 HydrophobicContact CG-CB 4.41Å; E65-P139 HydrophobicContact CB-CB 4.07Å
140	H	77	Confident	78.4	Confident	108 Å²	108	62 Å²	62	50%	0.5	29%	0.289	S	S	.	.	P	Polyproline II helix	trans	-74.8	142.8	169.3	-71.3	-65	0	0	0	110.9	Y56 E65 K68	Y56-H140 PolarHBondContact OH-O 3.19Å; E65-H140 IonicContact OE1-CD2 3.18Å; E65-H140 IonicContact OE2-CD2 3.69Å; E65-H140 PolarHBondContact OE2-CD2 3.48Å; E65-H140 IonicContact OE2-CG 2.77Å; E65-H140 PolarHBondContact OE2-N 3.16Å; K68-H140 PolarHBondContact NZ-CD2 2.83Å; K68-H140 PolarHBondContact NZ-NE2 2.84Å
141	A	70.9	Confident	77.4	Confident	22 Å²	22	63.8 Å²	63.8	18%	0.182	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-58.4	142.4	167.5	0	0	0	0	0	110.1	P53 Y54 K146	P53-A141 HydrophobicContact CB-CB 3.85Å; P53-A141 HydrophobicContact CG-CB 4.24Å; Y54-A141 HydrophobicContact CE1-CB 4.24Å; Y54-A141 HydrophobicContact CE2-CB 4.41Å; A141-K146 HydrophobicContact CB-CB 4.4Å; A141-K146 HydrophobicContact CB-CD 4.22Å
142	D	73.6	Confident	76.2	Confident	17 Å²	17	61.1 Å²	61.1	9%	0.091	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-55.2	121	171.7	-175.7	-75.9	0	0	0	109.4	P53 Y56 L144 I145 K146 Y283	P53-D142 VanDerWaalsContact O-CB 3.24Å; P53-D142 WeakPolarHBondContact O-CB 3.43Å; P53-D142 PolarHBondContact O-N 2.97Å; Y56-D142 HydrophobicContact CD1-CB 4.04Å; Y56-D142 HydrophobicContact CE1-CB 4.26Å; D142-L144 PolarHBondContact O-N 3.09Å; D142-L144 WeakPolarHBondContact OD1-CA 3.2Å; D142-L144 WeakPolarHBondContact OD1-CB 3.43Å; D142-L144 PolarHBondContact OD1-N 3.22Å; D142-I145 HydrophobicContact CB-CB 4.2Å; D142-I145 HydrophobicContact CB-CD1 4.11Å; D142-I145 HydrophobicContact CB-CG1 4.18Å; D142-I145 PolarHBondContact O-N 2.82Å; D142-I145 PolarHBondContact OD1-N 2.86Å; D142-K146 WeakPolarHBondContact O-CB 3.2Å; D142-K146 PolarHBondContact O-N 3.27Å; D142-Y283 PolarHBondContact OD2-OH 3.21Å
143	P	71.1	Confident	74.9	Confident	64 Å²	64	63.9 Å²	63.9	42%	0.416	31%	0.308	S	S	.	.	H	α-helix	trans	-69	-23.4	-171.4	26.3	-33.5	0	0	0	113	R147 Y283 K284	P143-R147 VanDerWaalsContact O-CB 3.27Å; P143-R147 WeakPolarHBondContact O-CB 3.45Å; P143-R147 PolarHBondContact O-N 2.88Å; P143-Y283 HydrophobicContact CG-CD1 4.16Å; P143-Y283 HydrophobicContact CG-CE1 4.25Å; P143-K284 HydrophobicContact CB-CB 4.19Å
144	L	72.1	Confident	73.3	Confident	0 Å²	0	67.3 Å²	67.3	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-78	-51	176.4	176.7	148.7	0	0	0	110.3	D142 K146 R147 R148 Y283 V288 I334	D142-L144 PolarHBondContact O-N 3.09Å; D142-L144 WeakPolarHBondContact OD1-CA 3.2Å; D142-L144 WeakPolarHBondContact OD1-CB 3.43Å; D142-L144 PolarHBondContact OD1-N 3.22Å; L144-K146 VanDerWaalsContact C-N 3.29Å; L144-K146 PolarHBondContact O-N 3.33Å; L144-R147 PolarHBondContact O-N 3.16Å; L144-R148 HydrophobicContact CD2-CG 4.4Å; L144-R148 WeakPolarHBondContact O-CG 3.24Å; L144-R148 PolarHBondContact O-N 3.3Å; L144-Y283 HydrophobicContact CB-CD1 3.91Å; L144-Y283 HydrophobicContact CB-CE1 3.5Å; L144-Y283 HydrophobicContact CB-CE2 4.2Å; L144-Y283 HydrophobicContact CB-CG 4.41Å; L144-Y283 HydrophobicContact CD1-CD2 3.8Å; L144-Y283 HydrophobicContact CD1-CE1 4.44Å; L144-Y283 HydrophobicContact CD1-CE2 3.64Å; L144-Y283 HydrophobicContact CD1-CG 4.29Å; L144-Y283 HydrophobicContact CG-CE2 4.49Å; L144-V288 HydrophobicContact CD1-CB 4.47Å; L144-V288 HydrophobicContact CD1-CG1 3.41Å; L144-V288 VanDerWaalsContact CD1-CG1 3.41Å; L144-I334 HydrophobicContact CD1-CD1 4.33Å; L144-I334 HydrophobicContact CD2-CD1 3.35Å; L144-I334 HydrophobicContact CD2-CG1 3.9Å
145	I	74	Confident	71.5	Confident	17 Å²	17	67.9 Å²	67.9	9%	0.087	33%	0.328	C	S	.	.	H	α-helix	trans	-62.5	-41.9	179.8	-60.6	176.2	0	0	0	110	N51 P53 D142 R147 R148 A149 I334	N51-I145 WeakPolarHBondContact O-CG2 3.42Å; P53-I145 HydrophobicContact CB-CB 4.2Å; P53-I145 HydrophobicContact CB-CG2 4.03Å; D142-I145 HydrophobicContact CB-CB 4.2Å; D142-I145 HydrophobicContact CB-CD1 4.11Å; D142-I145 HydrophobicContact CB-CG1 4.18Å; D142-I145 PolarHBondContact O-N 2.82Å; D142-I145 PolarHBondContact OD1-N 2.86Å; I145-R147 VanDerWaalsContact C-N 3.33Å; I145-R147 PolarHBondContact O-N 3.16Å; I145-R148 PolarHBondContact O-N 3.32Å; I145-A149 PolarHBondContact O-N 2.81Å; I145-A149 VanDerWaalsContact O-N 3.08Å; I145-I334 HydrophobicContact CD1-CG2 4.29Å
146	K	73.7	Confident	70.1	Confident	83 Å²	83	65.3 Å²	65.3	36%	0.361	32%	0.317	S	S	.	.	H	α-helix	trans	-56.5	-47.8	175.2	178.5	174.1	170.3	172.3	0	111.5	M23 A141 D142 L144 A149 E150	M23-K146 HydrophobicContact CE-CB 4.47Å; M23-K146 HydrophobicContact CE-CG 4.36Å; A141-K146 HydrophobicContact CB-CB 4.4Å; A141-K146 HydrophobicContact CB-CD 4.22Å; D142-K146 WeakPolarHBondContact O-CB 3.2Å; D142-K146 PolarHBondContact O-N 3.27Å; L144-K146 VanDerWaalsContact C-N 3.29Å; L144-K146 PolarHBondContact O-N 3.33Å; K146-A149 PolarHBondContact O-N 3.05Å; K146-E150 WeakPolarHBondContact CE-OE1 3.48Å; K146-E150 IonicContact NZ-OE1 2.73Å; K146-E150 WeakPolarHBondContact O-CG 3.24Å; K146-E150 PolarHBondContact O-N 3.5Å
147	R	71.5	Confident	68.8	Low	119 Å²	119	67.7 Å²	67.7	45%	0.449	33%	0.331	S	S	.	.	H	α-helix	trans	-71.5	-35.2	-176.9	-167.3	156.6	-174.8	161.6	7	113.2	P143 L144 I145 E150 C151 K284 G285	P143-R147 VanDerWaalsContact O-CB 3.27Å; P143-R147 WeakPolarHBondContact O-CB 3.45Å; P143-R147 PolarHBondContact O-N 2.88Å; L144-R147 PolarHBondContact O-N 3.16Å; I145-R147 VanDerWaalsContact C-N 3.33Å; I145-R147 PolarHBondContact O-N 3.16Å; R147-E150 PolarHBondContact O-N 3.12Å; R147-C151 PolarHBondContact O-N 3.44Å; R147-C151 PolarHBondContact O-SG 3.35Å; R147-C151 VanDerWaalsContact O-SG 3.35Å; R147-K284 WeakPolarHBondContact CD-O 3.3Å; R147-K284 PolarHBondContact NH1-O 2.84Å; R147-K284 VanDerWaalsContact NH1-O 3.08Å; R147-G285 WeakPolarHBondContact CD-O 3.46Å
148	R	73.3	Confident	67.5	Low	103 Å²	103	70.3 Å²	70.3	39%	0.389	34%	0.344	S	S	.	.	H	α-helix	trans	-60.1	-47.9	172.5	-75.3	-177.4	175.9	-178.8	-5.7	111.4	L144 I145 E150 C151 E152 G286	L144-R148 HydrophobicContact CD2-CG 4.4Å; L144-R148 WeakPolarHBondContact O-CG 3.24Å; L144-R148 PolarHBondContact O-N 3.3Å; I145-R148 PolarHBondContact O-N 3.32Å; R148-E150 PolarHBondContact O-N 3.46Å; R148-C151 WeakPolarHBondContact O-CB 3.39Å; R148-C151 PolarHBondContact O-N 2.86Å; R148-E152 PolarHBondContact O-N 2.96Å; R148-G286 WeakPolarHBondContact CG-O 3.44Å; R148-G286 PolarHBondContact NE-O 3.5Å
149	A	70	Confident	66.5	Low	20 Å²	20	64.1 Å²	64.1	17%	0.165	33%	0.328	C	S	.	.	H	α-helix	trans	-65.8	-36.6	176.9	0	0	0	0	0	112.8	M23 I145 K146 C151 E152 V153	M23-A149 HydrophobicContact CE-CB 3.2Å; I145-A149 PolarHBondContact O-N 2.81Å; I145-A149 VanDerWaalsContact O-N 3.08Å; K146-A149 PolarHBondContact O-N 3.05Å; A149-C151 VanDerWaalsContact C-N 3.32Å; A149-C151 PolarHBondContact O-N 2.93Å; A149-E152 PolarHBondContact O-N 3.33Å; A149-V153 VanDerWaalsContact O-CG2 3.28Å; A149-V153 WeakPolarHBondContact O-CG2 3.48Å; A149-V153 PolarHBondContact O-N 3.35Å
150	E	70	Confident	65.5	Low	90 Å²	90	71 Å²	71	42%	0.421	36%	0.355	S	S	.	.	H	α-helix	trans	-60.7	-40.5	172.3	-75.3	170.2	174.3	0	0	111.8	K146 R147 R148 Q154	K146-E150 WeakPolarHBondContact CE-OE1 3.48Å; K146-E150 IonicContact NZ-OE1 2.73Å; K146-E150 WeakPolarHBondContact O-CG 3.24Å; K146-E150 PolarHBondContact O-N 3.5Å; R147-E150 PolarHBondContact O-N 3.12Å; R148-E150 PolarHBondContact O-N 3.46Å; E150-Q154 WeakPolarHBondContact O-CG 3.39Å; E150-Q154 PolarHBondContact O-N 3.39Å
151	C	62.7	Low	64.3	Low	67 Å²	67	72.9 Å²	72.9	45%	0.453	36%	0.364	S	S	.	.	H	α-helix	trans	-67.2	-40.6	174	-68.4	0	0	0	0	112.4	R147 R148 A149 Q154 S155	R147-C151 PolarHBondContact O-N 3.44Å; R147-C151 PolarHBondContact O-SG 3.35Å; R147-C151 VanDerWaalsContact O-SG 3.35Å; R148-C151 WeakPolarHBondContact O-CB 3.39Å; R148-C151 PolarHBondContact O-N 2.86Å; A149-C151 VanDerWaalsContact C-N 3.32Å; A149-C151 PolarHBondContact O-N 2.93Å; C151-Q154 WeakPolarHBondContact O-CB 3.47Å; C151-Q154 PolarHBondContact O-N 3.28Å; C151-S155 PolarHBondContact O-N 3.23Å
152	E	65.1	Low	63.5	Low	81 Å²	81	76.8 Å²	76.8	38%	0.379	38%	0.379	S	S	.	.	H	α-helix	trans	-62.4	-42.2	175.4	-76.1	172.9	-172.3	0	0	111.6	R148 A149 Q154 S155 E156	R148-E152 PolarHBondContact O-N 2.96Å; A149-E152 PolarHBondContact O-N 3.33Å; E152-Q154 VanDerWaalsContact C-N 3.34Å; E152-Q154 PolarHBondContact O-N 3.15Å; E152-S155 CarbonylContact O-C 3.59Å; E152-S155 WeakPolarHBondContact O-CA 3.42Å; E152-S155 WeakPolarHBondContact O-CB 3.42Å; E152-S155 PolarHBondContact O-N 3.38Å; E152-S155 VanDerWaalsContact O-N 3.13Å; E152-E156 WeakPolarHBondContact O-CG 3.5Å; E152-E156 PolarHBondContact O-N 2.69Å
153	V	60.7	Low	62.1	Low	62 Å²	62	79.8 Å²	79.8	38%	0.376	39%	0.389	S	S	.	.	H	α-helix	trans	-64.9	-38.9	174.9	172.8	0	0	0	0	111.2	I19 A149 S155 E156 L157	I19-V153 HydrophobicContact CD1-CG2 4.2Å; A149-V153 VanDerWaalsContact O-CG2 3.28Å; A149-V153 WeakPolarHBondContact O-CG2 3.48Å; A149-V153 PolarHBondContact O-N 3.35Å; V153-S155 VanDerWaalsContact C-N 3.29Å; V153-S155 PolarHBondContact O-N 3.18Å; V153-E156 PolarHBondContact O-N 3Å; V153-L157 WeakPolarHBondContact O-CG 3.33Å; V153-L157 PolarHBondContact O-N 3.08Å; V153-L157 VanDerWaalsContact O-N 3.1Å
154	Q	57.1	Low	61	Low	132 Å²	132	81.6 Å²	81.6	62%	0.617	39%	0.394	S	S	*	.	H	α-helix	trans	-62.8	-37	172.3	-76.9	179.3	-9.7	0	0	112.1	E150 C151 E152 E156 L157	E150-Q154 WeakPolarHBondContact O-CG 3.39Å; E150-Q154 PolarHBondContact O-N 3.39Å; C151-Q154 WeakPolarHBondContact O-CB 3.47Å; C151-Q154 PolarHBondContact O-N 3.28Å; E152-Q154 VanDerWaalsContact C-N 3.34Å; E152-Q154 PolarHBondContact O-N 3.15Å; Q154-E156 VanDerWaalsContact C-N 3.34Å; Q154-L157 PolarHBondContact O-N 3.36Å
155	S	53.5	Low	60	Low	14 Å²	14	86.7 Å²	86.7	10%	0.098	42%	0.421	C	S	.	.	H	α-helix	trans	-67.6	-32.3	172.6	177.5	0	0	0	0	112.3	C151 E152 V153 L157 L158	C151-S155 PolarHBondContact O-N 3.23Å; E152-S155 CarbonylContact O-C 3.59Å; E152-S155 WeakPolarHBondContact O-CA 3.42Å; E152-S155 WeakPolarHBondContact O-CB 3.42Å; E152-S155 PolarHBondContact O-N 3.38Å; E152-S155 VanDerWaalsContact O-N 3.13Å; V153-S155 VanDerWaalsContact C-N 3.29Å; V153-S155 PolarHBondContact O-N 3.18Å; S155-L157 VanDerWaalsContact C-N 3.33Å; S155-L158 VanDerWaalsContact O-CB 3.25Å; S155-L158 WeakPolarHBondContact O-CB 3.48Å; S155-L158 PolarHBondContact O-N 3.39Å
156	E	57.6	Low	58.9	Low	68 Å²	68	93.9 Å²	93.9	32%	0.318	45%	0.447	S	S	.	.	H	α-helix	trans	-72	-24	174.6	-76.7	-174.3	168.4	0	0	114.1	E152 V153 Q154 L158 R163	E152-E156 WeakPolarHBondContact O-CG 3.5Å; E152-E156 PolarHBondContact O-N 2.69Å; V153-E156 PolarHBondContact O-N 3Å; Q154-E156 VanDerWaalsContact C-N 3.34Å; E156-L158 PolarHBondContact O-N 3.12Å; E156-R163 VanDerWaalsContact CG-CZ 3.49Å; E156-R163 IonicContact OE1-NH2 2.78Å; E156-R163 PolarHBondContact OE1-NH2 3.35Å
157	L	59.5	Low	57.8	Low	146 Å²	146	96 Å²	96	76%	0.764	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	-10.7	171.8	-68.1	169.4	0	0	0	112.6	V153 Q154 S155	V153-L157 WeakPolarHBondContact O-CG 3.33Å; V153-L157 PolarHBondContact O-N 3.08Å; V153-L157 VanDerWaalsContact O-N 3.1Å; Q154-L157 PolarHBondContact O-N 3.36Å; S155-L157 VanDerWaalsContact C-N 3.33Å
158	L	54	Low	56.7	Low	60 Å²	60	94.2 Å²	94.2	31%	0.314	47%	0.467	S	S	.	.	S	Bend	trans	-75.5	148.2	172.9	-60.6	172.1	0	0	0	110.8	S155 E156 Q162	S155-L158 VanDerWaalsContact O-CB 3.25Å; S155-L158 WeakPolarHBondContact O-CB 3.48Å; S155-L158 PolarHBondContact O-N 3.39Å; E156-L158 PolarHBondContact O-N 3.12Å; L158-Q162 HydrophobicContact CB-CB 3.9Å; L158-Q162 HydrophobicContact CD2-CB 4.42Å
159	S	54.8	Low	55.7	Low	49 Å²	49	95.2 Å²	95.2	34%	0.343	48%	0.476	S	S	.	.			trans	-60	159.6	169.8	59.8	0	0	0	0	111.6	E161 Q162 R163	S159-E161 VanDerWaalsContact C-N 3.28Å; S159-E161 PolarHBondContact O-N 3.2Å; S159-Q162 PolarHBondContact O-N 2.88Å; S159-Q162 VanDerWaalsContact O-N 3.14Å; S159-Q162 WeakPolarHBondContact OG-CB 3.34Å; S159-Q162 WeakPolarHBondContact OG-CG 3.43Å; S159-Q162 PolarHBondContact OG-N 2.71Å; S159-Q162 PolarHBondContact OG-OE1 3.38Å; S159-R163 PolarHBondContact O-N 2.86Å
160	K	54.3	Low	55.1	Low	170 Å²	170	99.7 Å²	99.7	74%	0.739	50%	0.504	S	S	*	.	H	α-helix	trans	-61.1	-37.9	-177.5	-155.7	-178.6	-176.4	-174.6	0	111.7	R163 I164	K160-R163 PolarHBondContact O-N 3.43Å; K160-I164 WeakPolarHBondContact O-CG1 3.37Å; K160-I164 PolarHBondContact O-N 3.45Å; K160-I164 VanDerWaalsContact O-N 3.14Å
161	E	51.5	Low	55	Low	147 Å²	147	99 Å²	99	69%	0.687	51%	0.505	S	S	*	.	H	α-helix	trans	-62.6	-50.2	172.5	-65.7	86.7	-173.1	0	0	111.5	S159 R163 I164 D165	S159-E161 VanDerWaalsContact C-N 3.28Å; S159-E161 PolarHBondContact O-N 3.2Å; E161-R163 PolarHBondContact O-N 3.26Å; E161-I164 PolarHBondContact O-N 3.33Å; E161-D165 PolarHBondContact O-N 2.73Å
162	Q	52.9	Low	55.6	Low	104 Å²	104	100.2 Å²	100.2	49%	0.486	51%	0.508	S	S	.	.	H	α-helix	trans	-59.9	-34.8	179.2	-75.4	169.2	-33.8	0	0	112.6	L158 S159 W166	L158-Q162 HydrophobicContact CB-CB 3.9Å; L158-Q162 HydrophobicContact CD2-CB 4.42Å; S159-Q162 PolarHBondContact O-N 2.88Å; S159-Q162 VanDerWaalsContact O-N 3.14Å; S159-Q162 WeakPolarHBondContact OG-CB 3.34Å; S159-Q162 WeakPolarHBondContact OG-CG 3.43Å; S159-Q162 PolarHBondContact OG-N 2.71Å; S159-Q162 PolarHBondContact OG-OE1 3.38Å; Q162-W166 WeakPolarHBondContact O-CB 3.48Å; Q162-W166 PolarHBondContact O-N 3.02Å
163	R	44.7	Very low	56.1	Low	80 Å²	80	98.9 Å²	98.9	30%	0.302	50%	0.503	S	S	.	.	H	α-helix	trans	-74	-38.9	-179.9	-157.2	178.3	-172.1	-171.5	2.2	112.4	E156 S159 K160 E161 D165 W166 L167	E156-R163 VanDerWaalsContact CG-CZ 3.49Å; E156-R163 IonicContact OE1-NH2 2.78Å; E156-R163 PolarHBondContact OE1-NH2 3.35Å; S159-R163 PolarHBondContact O-N 2.86Å; K160-R163 PolarHBondContact O-N 3.43Å; E161-R163 PolarHBondContact O-N 3.26Å; R163-D165 VanDerWaalsContact C-N 3.33Å; R163-W166 PolarHBondContact O-N 3.48Å; R163-L167 HydrophobicContact CG-CD1 4.09Å; R163-L167 WeakPolarHBondContact O-CB 3.46Å; R163-L167 WeakPolarHBondContact O-CG 3.36Å; R163-L167 PolarHBondContact O-N 3.27Å
164	I	48.4	Very low	57.1	Low	102 Å²	102	102 Å²	102	52%	0.523	51%	0.514	S	S	.	.	H	α-helix	trans	-62	-46.8	172.6	-68.4	167.2	0	0	0	108.7	K160 E161 W166 L167 S168	K160-I164 WeakPolarHBondContact O-CG1 3.37Å; K160-I164 PolarHBondContact O-N 3.45Å; K160-I164 VanDerWaalsContact O-N 3.14Å; E161-I164 PolarHBondContact O-N 3.33Å; I164-W166 PolarHBondContact O-N 3.06Å; I164-L167 PolarHBondContact O-N 3.39Å; I164-S168 WeakPolarHBondContact O-CB 3.3Å; I164-S168 PolarHBondContact O-N 2.94Å; I164-S168 PolarHBondContact O-OG 3.07Å
165	D	51.8	Low	58.3	Low	107 Å²	107	102.1 Å²	102.1	57%	0.572	51%	0.512	S	S	*	.	H	α-helix	trans	-57.1	-50.5	177.4	-138.3	19.9	0	0	0	110.9	E161 R163 L167 S168 E169	E161-D165 PolarHBondContact O-N 2.73Å; R163-D165 VanDerWaalsContact C-N 3.33Å; D165-L167 PolarHBondContact O-N 3.47Å; D165-S168 PolarHBondContact O-N 3.44Å; D165-E169 WeakPolarHBondContact O-CG 3.5Å; D165-E169 PolarHBondContact O-N 3.47Å
166	W	49	Very low	59.6	Low	168 Å²	168	101.9 Å²	101.9	64%	0.636	51%	0.511	S	S	*	.	H	α-helix	trans	-66.1	-33.2	-177.9	-142.1	74.9	0	0	0	114.7	Q162 R163 I164	Q162-W166 WeakPolarHBondContact O-CB 3.48Å; Q162-W166 PolarHBondContact O-N 3.02Å; R163-W166 PolarHBondContact O-N 3.48Å; I164-W166 PolarHBondContact O-N 3.06Å
167	L	51.5	Low	60.8	Low	128 Å²	128	100 Å²	100	67%	0.67	50%	0.502	S	S	*	.	H	α-helix	trans	-85.3	-21.7	176.7	-71.8	170.2	0	0	0	112.9	R163 I164 D165	R163-L167 HydrophobicContact CG-CD1 4.09Å; R163-L167 WeakPolarHBondContact O-CB 3.46Å; R163-L167 WeakPolarHBondContact O-CG 3.36Å; R163-L167 PolarHBondContact O-N 3.27Å; I164-L167 PolarHBondContact O-N 3.39Å; D165-L167 PolarHBondContact O-N 3.47Å
168	S	49.1	Very low	62	Low	81 Å²	81	96.9 Å²	96.9	57%	0.566	48%	0.483	S	S	*	.	H	α-helix	trans	-88.7	-21.9	179.7	-53.7	0	0	0	0	112.2	I164 D165 P170	I164-S168 WeakPolarHBondContact O-CB 3.3Å; I164-S168 PolarHBondContact O-N 2.94Å; I164-S168 PolarHBondContact O-OG 3.07Å; D165-S168 PolarHBondContact O-N 3.44Å; S168-P170 VanDerWaalsContact O-CD 3.29Å; S168-P170 WeakPolarHBondContact O-CD 3.5Å
169	E	51.2	Low	63.5	Low	123 Å²	123	98 Å²	98	58%	0.575	49%	0.492	S	S	*	.	S	Bend	trans	-62.5	115.8	172.5	-82.8	-175.7	175.7	0	0	109.7	D165	D165-E169 WeakPolarHBondContact O-CG 3.5Å; D165-E169 PolarHBondContact O-N 3.47Å
170	P	58.8	Low	65	Low	115 Å²	115	95.6 Å²	95.6	75%	0.747	48%	0.476	S	S	*	.			trans	-60.1	144.4	172.4	26.4	-32.5	0	0	0	108.8	S168 D172	S168-P170 VanDerWaalsContact O-CD 3.29Å; S168-P170 WeakPolarHBondContact O-CD 3.5Å; P170-D172 PolarHBondContact O-N 3.5Å
171	V	67.3	Low	66.7	Low	74 Å²	74	90.3 Å²	90.3	45%	0.448	45%	0.451	S	S	.	.			trans	-57.7	114.3	175	177.4	0	0	0	0	108.4	L173 M269	V171-L173 VanDerWaalsContact C-N 3.3Å; V171-L173 PolarHBondContact O-N 3.24Å; V171-M269 HydrophobicContact CG1-CB 3.83Å; V171-M269 HydrophobicContact CG1-CE 4.05Å
172	D	75.8	Confident	68.4	Low	94 Å²	94	86 Å²	86	50%	0.503	43%	0.433	S	S	.	.			trans	-70.2	90.8	171.8	-176.6	-11.7	0	0	0	108.8	P170 E174 K175 A176	P170-D172 PolarHBondContact O-N 3.5Å; D172-E174 PolarHBondContact O-N 3.37Å; D172-E174 PolarHBondContact OD1-N 2.92Å; D172-K175 HydrophobicContact CB-CB 4.01Å; D172-K175 VanDerWaalsContact CG-CB 3.43Å; D172-K175 PolarHBondContact O-N 3.01Å; D172-K175 PolarHBondContact OD1-N 3.4Å; D172-K175 WeakPolarHBondContact OD2-CB 3.32Å; D172-A176 PolarHBondContact O-N 3.32Å
173	L	75.3	Confident	70.1	Confident	53 Å²	53	85 Å²	85	28%	0.277	44%	0.438	S	S	.	.	H	α-helix	trans	-63.6	-31	-177.2	-168.9	68	0	0	0	111.7	V171 A176 H177	V171-L173 VanDerWaalsContact C-N 3.3Å; V171-L173 PolarHBondContact O-N 3.24Å; L173-A176 WeakPolarHBondContact O-CB 3.29Å; L173-A176 PolarHBondContact O-N 2.87Å; L173-H177 WeakPolarHBondContact O-CB 3.39Å; L173-H177 PolarHBondContact O-N 3.05Å; L173-H177 PolarHBondContact O-ND1 2.71Å
174	E	81.3	Confident	72.2	Confident	128 Å²	128	83.1 Å²	83.1	60%	0.598	43%	0.433	S	S	*	.	H	α-helix	trans	-68	-48.5	178.2	-170.8	59.7	-153.9	0	0	110.4	D172 A176 H177 E178	D172-E174 PolarHBondContact O-N 3.37Å; D172-E174 PolarHBondContact OD1-N 2.92Å; E174-A176 VanDerWaalsContact C-N 3.27Å; E174-A176 PolarHBondContact O-N 3Å; E174-H177 WeakPolarHBondContact O-CB 3.24Å; E174-H177 PolarHBondContact O-N 3.14Å; E174-H177 VanDerWaalsContact O-N 3.12Å; E174-E178 PolarHBondContact O-N 2.71Å
175	K	83	Confident	74.3	Confident	134 Å²	134	78.4 Å²	78.4	58%	0.583	41%	0.409	S	S	*	.	H	α-helix	trans	-61.4	-36	174.1	-176.7	179.1	-179.9	-179.6	0	112.5	D172 E178 T179	D172-K175 HydrophobicContact CB-CB 4.01Å; D172-K175 VanDerWaalsContact CG-CB 3.43Å; D172-K175 PolarHBondContact O-N 3.01Å; D172-K175 PolarHBondContact OD1-N 3.4Å; D172-K175 WeakPolarHBondContact OD2-CB 3.32Å; K175-E178 PolarHBondContact O-N 3.16Å; K175-T179 PolarHBondContact O-N 3.25Å; K175-T179 PolarHBondContact O-OG1 3.17Å
176	A	79.8	Confident	76.3	Confident	9 Å²	9	75.6 Å²	75.6	7%	0.074	40%	0.397	C	S	.	.	H	α-helix	trans	-61.5	-48.8	172.7	0	0	0	0	0	111	D172 L173 E174 E178 T179 L180 M269 Y280	D172-A176 PolarHBondContact O-N 3.32Å; L173-A176 WeakPolarHBondContact O-CB 3.29Å; L173-A176 PolarHBondContact O-N 2.87Å; E174-A176 VanDerWaalsContact C-N 3.27Å; E174-A176 PolarHBondContact O-N 3Å; A176-E178 VanDerWaalsContact C-N 3.33Å; A176-E178 PolarHBondContact O-N 3.37Å; A176-T179 WeakPolarHBondContact O-CB 3.49Å; A176-T179 PolarHBondContact O-N 3.19Å; A176-T179 VanDerWaalsContact O-N 3.13Å; A176-L180 PolarHBondContact O-N 3.37Å; A176-M269 HydrophobicContact CB-CE 4.43Å; A176-M269 HydrophobicContact CB-SD 3.51Å; A176-M269 VanDerWaalsContact CB-SD 3.51Å; A176-Y280 HydrophobicContact CB-CD1 4.46Å; A176-Y280 HydrophobicContact CB-CE1 3.78Å; A176-Y280 VanDerWaalsContact O-CE1 3.26Å; A176-Y280 WeakPolarHBondContact O-CE1 3.37Å
177	H	83	Confident	78.5	Confident	28 Å²	28	67.9 Å²	67.9	13%	0.13	37%	0.368	C	S	.	.	H	α-helix	trans	-60.3	-39.6	176.4	-70.8	162.8	0	0	0	112.6	L173 E174 L180 R181 D268 Y280	L173-H177 WeakPolarHBondContact O-CB 3.39Å; L173-H177 PolarHBondContact O-N 3.05Å; L173-H177 PolarHBondContact O-ND1 2.71Å; E174-H177 WeakPolarHBondContact O-CB 3.24Å; E174-H177 PolarHBondContact O-N 3.14Å; E174-H177 VanDerWaalsContact O-N 3.12Å; H177-L180 WeakPolarHBondContact O-CB 3.28Å; H177-L180 PolarHBondContact O-N 3.28Å; H177-R181 WeakPolarHBondContact O-CB 3.3Å; H177-R181 PolarHBondContact O-N 3.27Å; H177-D268 IonicContact NE2-OD2 3.98Å; H177-Y280 PolarHBondContact CD2-OH 2.9Å; H177-Y280 PolarHBondContact NE2-OH 2.93Å
178	E	85.3	Confident	80.4	Confident	81 Å²	81	64.3 Å²	64.3	38%	0.379	35%	0.346	S	S	.	.	H	α-helix	trans	-61.9	-43.1	172.6	-71.7	-159.8	139.6	0	0	112	E174 K175 A176 L180 R181 D182	E174-E178 PolarHBondContact O-N 2.71Å; K175-E178 PolarHBondContact O-N 3.16Å; A176-E178 VanDerWaalsContact C-N 3.33Å; A176-E178 PolarHBondContact O-N 3.37Å; E178-L180 VanDerWaalsContact C-N 3.33Å; E178-L180 PolarHBondContact O-N 3.06Å; E178-R181 WeakPolarHBondContact O-CA 3.13Å; E178-R181 WeakPolarHBondContact O-CB 3.5Å; E178-R181 PolarHBondContact O-N 3.04Å; E178-D182 VanDerWaalsContact O-CG 3.31Å; E178-D182 PolarHBondContact O-N 3.37Å
179	T	84.7	Confident	82.5	Confident	82 Å²	82	66.5 Å²	66.5	50%	0.503	34%	0.341	S	S	.	.	H	α-helix	trans	-63.8	-40.3	177.5	-56.3	0	0	0	0	111.4	K175 A176 R181 D182 S183	K175-T179 PolarHBondContact O-N 3.25Å; K175-T179 PolarHBondContact O-OG1 3.17Å; A176-T179 WeakPolarHBondContact O-CB 3.49Å; A176-T179 PolarHBondContact O-N 3.19Å; A176-T179 VanDerWaalsContact O-N 3.13Å; T179-R181 PolarHBondContact O-N 3.35Å; T179-D182 PolarHBondContact O-N 3.05Å; T179-S183 PolarHBondContact O-N 2.88Å; T179-S183 VanDerWaalsContact O-N 3.15Å
180	L	87.3	Confident	84.6	Confident	0 Å²	0	63.8 Å²	63.8	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-60.2	-39.6	172	-178.4	58.6	0	0	0	110.5	A176 H177 E178 S183 I184 F278 R279 Y280 W296	A176-L180 PolarHBondContact O-N 3.37Å; H177-L180 WeakPolarHBondContact O-CB 3.28Å; H177-L180 PolarHBondContact O-N 3.28Å; E178-L180 VanDerWaalsContact C-N 3.33Å; E178-L180 PolarHBondContact O-N 3.06Å; L180-S183 WeakPolarHBondContact O-CB 3.46Å; L180-S183 PolarHBondContact O-N 2.87Å; L180-S183 VanDerWaalsContact O-N 3.12Å; L180-I184 HydrophobicContact CD1-CD1 3.77Å; L180-I184 HydrophobicContact CD1-CG1 4.24Å; L180-I184 HydrophobicContact CG-CD1 3.84Å; L180-I184 WeakPolarHBondContact O-CG1 3.29Å; L180-I184 PolarHBondContact O-N 2.86Å; L180-F278 HydrophobicContact CD1-CB 3.99Å; L180-F278 HydrophobicContact CD2-CB 4.35Å; L180-R279 WeakPolarHBondContact CD1-O 3.29Å; L180-Y280 HydrophobicContact CB-CD1 3.67Å; L180-Y280 HydrophobicContact CB-CE1 3.76Å; L180-Y280 HydrophobicContact CD1-CD1 4.35Å; L180-Y280 HydrophobicContact CD2-CD1 4.22Å; L180-Y280 HydrophobicContact CD2-CE1 3.95Å; L180-Y280 HydrophobicContact CG-CD1 4.31Å; L180-Y280 HydrophobicContact CG-CE1 4.4Å; L180-W296 HydrophobicContact CB-CH2 4.29Å; L180-W296 HydrophobicContact CB-CZ2 4.36Å; L180-W296 HydrophobicContact CD2-CH2 4.42Å; L180-W296 HydrophobicContact CD2-CZ2 3.71Å; L180-W296 HydrophobicContact CG-CH2 3.93Å; L180-W296 HydrophobicContact CG-CZ2 3.69Å
181	R	88.1	Confident	86.4	Confident	58 Å²	58	63.6 Å²	63.6	22%	0.219	32%	0.323	C	S	.	.	H	α-helix	trans	-68.8	-38	-178.2	-176.3	159.7	-171.6	-166.5	1.9	112.3	H177 E178 T179 S183 I184 L185 W188 W296	H177-R181 WeakPolarHBondContact O-CB 3.3Å; H177-R181 PolarHBondContact O-N 3.27Å; E178-R181 WeakPolarHBondContact O-CA 3.13Å; E178-R181 WeakPolarHBondContact O-CB 3.5Å; E178-R181 PolarHBondContact O-N 3.04Å; T179-R181 PolarHBondContact O-N 3.35Å; R181-S183 PolarHBondContact O-N 2.81Å; R181-I184 PolarHBondContact O-N 2.85Å; R181-L185 CarbonylContact O-C 3.59Å; R181-L185 WeakPolarHBondContact O-CA 3.32Å; R181-L185 PolarHBondContact O-N 2.88Å; R181-W188 HydrophobicContact CG-CB 4.36Å; R181-W188 HydrophobicContact CG-CD2 3.7Å; R181-W188 HydrophobicContact CG-CG 3.62Å; R181-W188 HydrophobicContact CG-CZ2 4.19Å; R181-W188 VanDerWaalsContact CZ-CZ3 3.49Å; R181-W188 VanDerWaalsContact NE-CD2 3.27Å; R181-W188 VanDerWaalsContact NE-CE3 3.31Å; R181-W188 VanDerWaalsContact NH1-CZ3 3.3Å; R181-W296 HydrophobicContact CB-CH2 3.4Å; R181-W296 VanDerWaalsContact CB-CH2 3.4Å; R181-W296 HydrophobicContact CB-CZ3 3.39Å; R181-W296 HydrophobicContact CG-CE3 4.38Å; R181-W296 HydrophobicContact CG-CH2 4.02Å; R181-W296 HydrophobicContact CG-CZ3 3.44Å; R181-W296 VanDerWaalsContact CG-CZ3 3.44Å
182	D	88.8	Confident	87.9	Confident	57 Å²	57	61 Å²	61	31%	0.305	31%	0.305	S	S	.	.	H	α-helix	trans	-63.5	-31.2	171.5	-68.2	-20.3	0	0	0	113	E178 T179 P186 W188 R189	E178-D182 VanDerWaalsContact O-CG 3.31Å; E178-D182 PolarHBondContact O-N 3.37Å; T179-D182 PolarHBondContact O-N 3.05Å; D182-P186 VanDerWaalsContact O-CA 3.29Å; D182-P186 WeakPolarHBondContact O-CA 3.31Å; D182-P186 WeakPolarHBondContact O-CB 3.19Å; D182-W188 PolarHBondContact OD1-NE1 3.34Å; D182-R189 IonicContact OD1-CZ 3.46Å; D182-R189 IonicContact OD1-NH1 2.71Å; D182-R189 PolarHBondContact OD1-NH1 3.26Å; D182-R189 IonicContact OD1-NH2 2.73Å; D182-R189 PolarHBondContact OD1-NH2 2.74Å; D182-R189 IonicContact OD2-CZ 3.32Å; D182-R189 IonicContact OD2-NH1 3.62Å; D182-R189 PolarHBondContact OD2-NH1 2.87Å; D182-R189 IonicContact OD2-NH2 3.33Å; D182-R189 PolarHBondContact OD2-NH2 2.87Å
183	S	87.4	Confident	88.8	Confident	83 Å²	83	61.8 Å²	61.8	58%	0.58	31%	0.309	S	S	*	.	H	α-helix	trans	-76.9	-37	176.6	-174.6	0	0	0	0	113.3	T179 L180 R181	T179-S183 PolarHBondContact O-N 2.88Å; T179-S183 VanDerWaalsContact O-N 3.15Å; L180-S183 WeakPolarHBondContact O-CB 3.46Å; L180-S183 PolarHBondContact O-N 2.87Å; L180-S183 VanDerWaalsContact O-N 3.12Å; R181-S183 PolarHBondContact O-N 2.81Å
184	I	89.2	Confident	89.8	Confident	41 Å²	41	62.2 Å²	62.2	21%	0.21	32%	0.316	C	S	.	.	H	α-helix	trans	-87.8	-45.5	-174.6	-59.9	169.6	0	0	0	110.6	L180 R181 P186 F278 W296 F298	L180-I184 HydrophobicContact CD1-CD1 3.77Å; L180-I184 HydrophobicContact CD1-CG1 4.24Å; L180-I184 HydrophobicContact CG-CD1 3.84Å; L180-I184 WeakPolarHBondContact O-CG1 3.29Å; L180-I184 PolarHBondContact O-N 2.86Å; R181-I184 PolarHBondContact O-N 2.85Å; I184-P186 VanDerWaalsContact C-CD 3.46Å; I184-P186 WeakPolarHBondContact O-CD 3.45Å; I184-F278 HydrophobicContact CD1-CB 3.51Å; I184-F278 HydrophobicContact CD1-CD1 4.04Å; I184-F278 HydrophobicContact CD1-CD2 3.68Å; I184-F278 HydrophobicContact CD1-CE2 4.4Å; I184-F278 HydrophobicContact CD1-CG 3.47Å; I184-F278 VanDerWaalsContact CD1-CG 3.47Å; I184-W296 HydrophobicContact CB-CZ3 4.49Å; I184-W296 HydrophobicContact CD1-CH2 3.89Å; I184-W296 HydrophobicContact CD1-CZ2 3.89Å; I184-W296 HydrophobicContact CD1-CZ3 4.22Å; I184-F298 HydrophobicContact CG2-CE1 4.01Å; I184-F298 HydrophobicContact CG2-CZ 4.21Å
185	L	91.9	Very high	90.6	Very high	3 Å²	3	58.8 Å²	58.8	2%	0.016	30%	0.302	C	S	.	.			trans	-126.2	63.9	-172.7	-55.8	175.5	0	0	0	109.5	R181 L187 W188 W296 F298 Q617 T618	R181-L185 CarbonylContact O-C 3.59Å; R181-L185 WeakPolarHBondContact O-CA 3.32Å; R181-L185 PolarHBondContact O-N 2.88Å; L185-L187 PolarHBondContact O-N 3.28Å; L185-W188 HydrophobicContact CB-CB 3.98Å; L185-W188 VanDerWaalsContact O-CB 3.28Å; L185-W188 WeakPolarHBondContact O-CB 3.34Å; L185-W188 PolarHBondContact O-N 2.93Å; L185-W296 HydrophobicContact CD1-CE3 3.84Å; L185-W296 HydrophobicContact CD1-CZ3 4.19Å; L185-F298 HydrophobicContact CD1-CD1 3.56Å; L185-F298 HydrophobicContact CD1-CE1 3.88Å; L185-F298 HydrophobicContact CD2-CD1 3.74Å; L185-F298 HydrophobicContact CD2-CE1 4.03Å; L185-F298 HydrophobicContact CD2-CG 4.5Å; L185-F298 HydrophobicContact CG-CD1 4.08Å; L185-F298 HydrophobicContact CG-CE1 4.16Å; L185-Q617 CarbonylContact C-O 3.59Å; L185-Q617 WeakPolarHBondContact CA-O 3.36Å; L185-Q617 HydrophobicContact CB-CB 3.98Å; L185-Q617 HydrophobicContact CD2-CB 4.21Å; L185-Q617 HydrophobicContact CG-CB 4.45Å; L185-T618 HydrophobicContact CD2-CG2 3.98Å
186	P	93.5	Very high	91.3	Very high	48 Å²	48	52.7 Å²	52.7	31%	0.312	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-14.6	-170.4	22.5	-36	0	0	0	115.7	D182 I184 R619	D182-P186 VanDerWaalsContact O-CA 3.29Å; D182-P186 WeakPolarHBondContact O-CA 3.31Å; D182-P186 WeakPolarHBondContact O-CB 3.19Å; I184-P186 VanDerWaalsContact C-CD 3.46Å; I184-P186 WeakPolarHBondContact O-CD 3.45Å; P186-R619 HydrophobicContact CG-CG 4.11Å
187	L	95.3	Very high	92.2	Very high	6 Å²	6	53.2 Å²	53.2	3%	0.031	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106	9.4	178.8	-50.3	-174.3	0	0	0	113.2	L185 R189 L190 Q196 E199 K200 Q617 T618 R619	L185-L187 PolarHBondContact O-N 3.28Å; L187-R189 PolarHBondContact O-N 2.77Å; L187-R189 VanDerWaalsContact O-N 3.12Å; L187-L190 HydrophobicContact CB-CD1 4.39Å; L187-L190 HydrophobicContact CD2-CD1 4.09Å; L187-L190 WeakPolarHBondContact O-CB 3.33Å; L187-L190 PolarHBondContact O-N 2.83Å; L187-Q196 HydrophobicContact CB-CG 3.95Å; L187-Q196 HydrophobicContact CD1-CB 4.26Å; L187-Q196 HydrophobicContact CD1-CG 4.44Å; L187-Q196 PolarHBondContact O-NE2 3.35Å; L187-E199 HydrophobicContact CD1-CB 4.2Å; L187-E199 HydrophobicContact CD2-CB 4.45Å; L187-E199 HydrophobicContact CD2-CG 4.45Å; L187-K200 HydrophobicContact CD1-CG 4.5Å; L187-Q617 PolarHBondContact N-O 2.89Å; L187-T618 VanDerWaalsContact CD1-O 3.27Å; L187-T618 WeakPolarHBondContact CD1-O 3.25Å; L187-R619 HydrophobicContact CD1-CG 4.22Å; L187-R619 HydrophobicContact CD2-CG 3.99Å; L187-R619 HydrophobicContact CG-CG 4.08Å
188	W	92.3	Very high	92.9	Very high	53 Å²	53	55.7 Å²	55.7	20%	0.201	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-24.3	-174.5	76.1	-83.5	0	0	0	114.9	R181 D182 L185 L190 Q617	R181-W188 HydrophobicContact CG-CB 4.36Å; R181-W188 HydrophobicContact CG-CD2 3.7Å; R181-W188 HydrophobicContact CG-CG 3.62Å; R181-W188 HydrophobicContact CG-CZ2 4.19Å; R181-W188 VanDerWaalsContact CZ-CZ3 3.49Å; R181-W188 VanDerWaalsContact NE-CD2 3.27Å; R181-W188 VanDerWaalsContact NE-CE3 3.31Å; R181-W188 VanDerWaalsContact NH1-CZ3 3.3Å; D182-W188 PolarHBondContact OD1-NE1 3.34Å; L185-W188 HydrophobicContact CB-CB 3.98Å; L185-W188 VanDerWaalsContact O-CB 3.28Å; L185-W188 WeakPolarHBondContact O-CB 3.34Å; L185-W188 PolarHBondContact O-N 2.93Å; W188-L190 VanDerWaalsContact C-N 3.34Å; W188-Q617 HydrophobicContact CB-CB 4.35Å
189	R	93.1	Very high	93.4	Very high	127 Å²	127	55.9 Å²	55.9	48%	0.479	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-10.3	178.1	-61	-164	-176.1	87.7	1.5	113.7	D182 L187	D182-R189 IonicContact OD1-CZ 3.46Å; D182-R189 IonicContact OD1-NH1 2.71Å; D182-R189 PolarHBondContact OD1-NH1 3.26Å; D182-R189 IonicContact OD1-NH2 2.73Å; D182-R189 PolarHBondContact OD1-NH2 2.74Å; D182-R189 IonicContact OD2-CZ 3.32Å; D182-R189 IonicContact OD2-NH1 3.62Å; D182-R189 PolarHBondContact OD2-NH1 2.87Å; D182-R189 IonicContact OD2-NH2 3.33Å; D182-R189 PolarHBondContact OD2-NH2 2.87Å; L187-R189 PolarHBondContact O-N 2.77Å; L187-R189 VanDerWaalsContact O-N 3.12Å
190	L	95.7	Very high	94	Very high	65 Å²	65	52.1 Å²	52.1	34%	0.34	27%	0.267	S	S	.	.	S	Bend	trans	-94	145.4	-177.1	-61	-175.4	0	0	0	110.4	L187 W188 Y192 D195 Q196 E199	L187-L190 HydrophobicContact CB-CD1 4.39Å; L187-L190 HydrophobicContact CD2-CD1 4.09Å; L187-L190 WeakPolarHBondContact O-CB 3.33Å; L187-L190 PolarHBondContact O-N 2.83Å; W188-L190 VanDerWaalsContact C-N 3.34Å; L190-Y192 PolarHBondContact O-N 3.29Å; L190-D195 HydrophobicContact CB-CB 3.89Å; L190-D195 HydrophobicContact CD1-CB 4.44Å; L190-Q196 HydrophobicContact CB-CG 3.8Å; L190-Q196 PolarHBondContact O-NE2 3.47Å; L190-E199 HydrophobicContact CD1-CG 3.86Å
191	N	97	Very high	94.5	Very high	112 Å²	112	54.8 Å²	54.8	60%	0.599	28%	0.277	S	S	*	.			trans	-61.4	139	169.5	-56.9	-64.7	0	0	0	108.8	D195 Q196	N191-D195 WeakPolarHBondContact CB-OD2 3.49Å; N191-D195 PolarHBondContact N-OD2 3.37Å; N191-D195 PolarHBondContact ND2-OD2 2.9Å; N191-D195 WeakPolarHBondContact O-CB 3.37Å; N191-D195 PolarHBondContact O-N 2.99Å; N191-Q196 WeakPolarHBondContact O-CG 3.44Å; N191-Q196 PolarHBondContact O-N 3.17Å
192	Y	97.2	Very high	94.9	Very high	19 Å²	19	54.4 Å²	54.4	8%	0.075	28%	0.28	C	S	.	.	I	π-helix	trans	-59.9	-54.7	-174.8	176.2	-103.4	0	0	0	112	L190 Q196 L197 P250 S251 Q254 D613 P616	L190-Y192 PolarHBondContact O-N 3.29Å; Y192-Q196 HydrophobicContact CD2-CB 4.49Å; Y192-Q196 WeakPolarHBondContact O-CB 3.24Å; Y192-Q196 PolarHBondContact O-N 3.46Å; Y192-L197 HydrophobicContact CE1-CD2 4.47Å; Y192-L197 HydrophobicContact CE2-CD2 4.42Å; Y192-L197 PolarHBondContact O-N 3.12Å; Y192-P250 HydrophobicContact CE1-CB 3.9Å; Y192-P250 VanDerWaalsContact OH-CA 3.26Å; Y192-P250 WeakPolarHBondContact OH-CA 3.45Å; Y192-P250 WeakPolarHBondContact OH-CB 3.13Å; Y192-S251 WeakPolarHBondContact OH-CB 3.49Å; Y192-S251 PolarHBondContact OH-N 3.31Å; Y192-Q254 HydrophobicContact CD1-CG 4Å; Y192-Q254 HydrophobicContact CD2-CG 4.06Å; Y192-Q254 HydrophobicContact CE1-CG 4.12Å; Y192-Q254 HydrophobicContact CE2-CG 4.2Å; Y192-Q254 HydrophobicContact CG-CG 3.94Å; Y192-D613 WeakPolarHBondContact CE2-OD2 3.41Å; Y192-P616 HydrophobicContact CD2-CB 4.37Å; Y192-P616 HydrophobicContact CE2-CB 4.06Å; Y192-P616 HydrophobicContact CE2-CG 4.24Å
193	D	96.3	Very high	95.3	Very high	110 Å²	110	54 Å²	54	59%	0.588	28%	0.277	S	S	*	.	I	π-helix	trans	-117.9	119.4	173.5	-171.1	-4.3	0	0	0	108	L197	D193-L197 HydrophobicContact CB-CD1 3.98Å
194	P	96.2	Very high	95.8	Very high	63 Å²	63	50 Å²	50	41%	0.409	25%	0.249	S	C	.	.	I	π-helix	cis	-97.6	-16.4	11.6	37.8	-35.8	0	0	0	115.7	Q196 L197 I198	P194-Q196 PolarHBondContact O-N 3.45Å; P194-L197 PolarHBondContact O-N 2.77Å; P194-L197 VanDerWaalsContact O-N 3.16Å; P194-I198 HydrophobicContact CB-CD1 3.78Å; P194-I198 HydrophobicContact CB-CG1 4.3Å; P194-I198 HydrophobicContact CG-CD1 4.24Å; P194-I198 WeakPolarHBondContact O-CG1 3.37Å; P194-I198 PolarHBondContact O-N 2.84Å
195	D	98.2	Very high	96.2	Very high	56 Å²	56	48.4 Å²	48.4	30%	0.299	24%	0.241	S	C	.	.	I	π-helix	trans	-62.6	-46.1	-160.5	-54.5	-41.5	0	0	0	113.5	L190 N191 I198 E199	L190-D195 HydrophobicContact CB-CB 3.89Å; L190-D195 HydrophobicContact CD1-CB 4.44Å; N191-D195 WeakPolarHBondContact CB-OD2 3.49Å; N191-D195 PolarHBondContact N-OD2 3.37Å; N191-D195 PolarHBondContact ND2-OD2 2.9Å; N191-D195 WeakPolarHBondContact O-CB 3.37Å; N191-D195 PolarHBondContact O-N 2.99Å; D195-I198 PolarHBondContact O-N 3.01Å; D195-E199 PolarHBondContact O-N 2.93Å; D195-E199 VanDerWaalsContact O-N 3.08Å
196	Q	97.9	Very high	96.5	Very high	6 Å²	6	53.6 Å²	53.6	3%	0.028	26%	0.264	C	S	.	.	I	π-helix	trans	-67.7	-39.3	177.5	-59.8	-177	27.3	0	0	112.1	L187 L190 N191 Y192 P194 I198 E199 K200 Q617	L187-Q196 HydrophobicContact CB-CG 3.95Å; L187-Q196 HydrophobicContact CD1-CB 4.26Å; L187-Q196 HydrophobicContact CD1-CG 4.44Å; L187-Q196 PolarHBondContact O-NE2 3.35Å; L190-Q196 HydrophobicContact CB-CG 3.8Å; L190-Q196 PolarHBondContact O-NE2 3.47Å; N191-Q196 WeakPolarHBondContact O-CG 3.44Å; N191-Q196 PolarHBondContact O-N 3.17Å; Y192-Q196 HydrophobicContact CD2-CB 4.49Å; Y192-Q196 WeakPolarHBondContact O-CB 3.24Å; Y192-Q196 PolarHBondContact O-N 3.46Å; P194-Q196 PolarHBondContact O-N 3.45Å; Q196-I198 VanDerWaalsContact C-N 3.32Å; Q196-E199 PolarHBondContact O-N 3Å; Q196-K200 VanDerWaalsContact O-CG 3.29Å; Q196-K200 WeakPolarHBondContact O-CG 3.47Å; Q196-K200 PolarHBondContact O-N 3.44Å; Q196-Q617 VanDerWaalsContact OE1-CA 3.27Å
197	L	98.3	Very high	96.6	Very high	20 Å²	20	51.5 Å²	51.5	11%	0.105	25%	0.25	C	S	.	.	H	α-helix	trans	-65.2	-37.1	178	-61.5	-177.4	0	0	0	111.5	Y192 D193 P194 R201 I248 P250	Y192-L197 HydrophobicContact CE1-CD2 4.47Å; Y192-L197 HydrophobicContact CE2-CD2 4.42Å; Y192-L197 PolarHBondContact O-N 3.12Å; D193-L197 HydrophobicContact CB-CD1 3.98Å; P194-L197 PolarHBondContact O-N 2.77Å; P194-L197 VanDerWaalsContact O-N 3.16Å; L197-R201 VanDerWaalsContact O-CB 3.3Å; L197-R201 WeakPolarHBondContact O-CB 3.42Å; L197-R201 PolarHBondContact O-N 3.04Å; L197-I248 HydrophobicContact CD2-CB 4.43Å; L197-I248 HydrophobicContact CD2-CG2 3.97Å; L197-P250 HydrophobicContact CD1-CB 4.29Å
198	I	97.4	Very high	96.8	Very high	79 Å²	79	51.2 Å²	51.2	41%	0.405	25%	0.249	S	C	.	.	H	α-helix	trans	-63.7	-48.3	173.7	-71.6	169.4	0	0	0	110.7	P194 D195 Q196 K200 R201 N202	P194-I198 HydrophobicContact CB-CD1 3.78Å; P194-I198 HydrophobicContact CB-CG1 4.3Å; P194-I198 HydrophobicContact CG-CD1 4.24Å; P194-I198 WeakPolarHBondContact O-CG1 3.37Å; P194-I198 PolarHBondContact O-N 2.84Å; D195-I198 PolarHBondContact O-N 3.01Å; Q196-I198 VanDerWaalsContact C-N 3.32Å; I198-K200 VanDerWaalsContact C-N 3.32Å; I198-K200 PolarHBondContact O-N 2.95Å; I198-R201 PolarHBondContact O-N 2.87Å; I198-N202 WeakPolarHBondContact CG2-ND2 3.33Å; I198-N202 WeakPolarHBondContact O-CB 3.43Å; I198-N202 PolarHBondContact O-N 3.27Å; I198-N202 PolarHBondContact O-ND2 3.34Å
199	E	96.8	Very high	97	Very high	86 Å²	86	48.7 Å²	48.7	40%	0.402	24%	0.239	S	C	.	.	H	α-helix	trans	-58.1	-44.5	177.8	-79.1	-62.9	122.9	0	0	112.1	L187 L190 D195 Q196 N202 L203	L187-E199 HydrophobicContact CD1-CB 4.2Å; L187-E199 HydrophobicContact CD2-CB 4.45Å; L187-E199 HydrophobicContact CD2-CG 4.45Å; L190-E199 HydrophobicContact CD1-CG 3.86Å; D195-E199 PolarHBondContact O-N 2.93Å; D195-E199 VanDerWaalsContact O-N 3.08Å; Q196-E199 PolarHBondContact O-N 3Å; E199-N202 PolarHBondContact O-N 3.41Å; E199-L203 PolarHBondContact O-N 3.16Å; E199-L203 VanDerWaalsContact O-N 3.12Å
200	K	96.9	Very high	97.2	Very high	2 Å²	2	45.3 Å²	45.3	1%	0.009	23%	0.229	C	C	.	.	H	α-helix	trans	-63.7	-45.3	176	-71.2	169.4	-173.3	-122.8	0	111.5	L187 Q196 I198 N202 L203 V204 D613 F615 T618 H620 T621	L187-K200 HydrophobicContact CD1-CG 4.5Å; Q196-K200 VanDerWaalsContact O-CG 3.29Å; Q196-K200 WeakPolarHBondContact O-CG 3.47Å; Q196-K200 PolarHBondContact O-N 3.44Å; I198-K200 VanDerWaalsContact C-N 3.32Å; I198-K200 PolarHBondContact O-N 2.95Å; K200-N202 PolarHBondContact O-N 2.91Å; K200-L203 PolarHBondContact O-N 3.35Å; K200-V204 WeakPolarHBondContact O-CG2 3.28Å; K200-V204 PolarHBondContact O-N 2.92Å; K200-V204 VanDerWaalsContact O-N 3.16Å; K200-D613 VanDerWaalsContact CE-OD2 3.26Å; K200-D613 WeakPolarHBondContact CE-OD2 3.11Å; K200-D613 IonicContact NZ-OD1 3.78Å; K200-D613 PolarHBondContact NZ-OD1 3.47Å; K200-D613 IonicContact NZ-OD2 3.82Å; K200-D613 PolarHBondContact NZ-OD2 3Å; K200-F615 PolarHBondContact NZ-O 2.91Å; K200-T618 WeakPolarHBondContact CE-O 3.33Å; K200-T618 PolarHBondContact NZ-O 3.33Å; K200-H620 PolarHBondContact NZ-O 3.16Å; K200-T621 HydrophobicContact CB-CG2 3.77Å; K200-T621 HydrophobicContact CD-CG2 3.64Å; K200-T621 HydrophobicContact CG-CG2 3.81Å
201	R	97.4	Very high	97.2	Very high	56 Å²	56	42.2 Å²	42.2	21%	0.211	21%	0.213	C	C	.	.	H	α-helix	trans	-57.8	-48.4	176.1	-171.9	-178.7	178.6	74.9	2.3	111.2	L197 I198 L203 V204 L205 E233 L245 A246 I248	L197-R201 VanDerWaalsContact O-CB 3.3Å; L197-R201 WeakPolarHBondContact O-CB 3.42Å; L197-R201 PolarHBondContact O-N 3.04Å; I198-R201 PolarHBondContact O-N 2.87Å; R201-L203 VanDerWaalsContact C-N 3.3Å; R201-L203 PolarHBondContact O-N 2.81Å; R201-V204 PolarHBondContact O-N 3.4Å; R201-V204 VanDerWaalsContact O-N 3.16Å; R201-L205 HydrophobicContact CG-CD1 3.83Å; R201-L205 HydrophobicContact CG-CG 4.19Å; R201-L205 VanDerWaalsContact O-CG 3.32Å; R201-L205 WeakPolarHBondContact O-CG 3.39Å; R201-L205 PolarHBondContact O-N 3.02Å; R201-E233 IonicContact CZ-OE1 3.38Å; R201-E233 IonicContact NH2-OE1 3.16Å; R201-E233 PolarHBondContact NH2-OE1 2.96Å; R201-E233 IonicContact NH2-OE2 2.65Å; R201-E233 PolarHBondContact NH2-OE2 2.84Å; R201-E233 VanDerWaalsContact NH2-OE2 3.14Å; R201-L245 HydrophobicContact CG-CD2 3.81Å; R201-L245 PolarHBondContact NH1-O 3.4Å; R201-L245 PolarHBondContact NH2-O 3.45Å; R201-A246 PolarHBondContact NH1-O 3.36Å; R201-I248 HydrophobicContact CB-CD1 4.2Å; R201-I248 HydrophobicContact CB-CG1 3.82Å; R201-I248 HydrophobicContact CG-CG1 4.37Å
202	N	97.3	Very high	97.2	Very high	51 Å²	51	38.8 Å²	38.8	27%	0.273	19%	0.191	S	C	.	.	H	α-helix	trans	-59.8	-40	-179.4	-71.4	-20.7	0	0	0	112.1	I198 E199 K200 L205 K206	I198-N202 WeakPolarHBondContact CG2-ND2 3.33Å; I198-N202 WeakPolarHBondContact O-CB 3.43Å; I198-N202 PolarHBondContact O-N 3.27Å; I198-N202 PolarHBondContact O-ND2 3.34Å; E199-N202 PolarHBondContact O-N 3.41Å; K200-N202 PolarHBondContact O-N 2.91Å; N202-L205 PolarHBondContact O-N 3.24Å; N202-K206 WeakPolarHBondContact O-CB 3.21Å; N202-K206 PolarHBondContact O-N 3.18Å
203	L	96	Very high	97.1	Very high	47 Å²	47	43.7 Å²	43.7	25%	0.246	21%	0.21	C	C	.	.	H	α-helix	trans	-62.2	-45.7	175.6	180	61.9	0	0	0	111.9	E199 K200 R201 C207 R619	E199-L203 PolarHBondContact O-N 3.16Å; E199-L203 VanDerWaalsContact O-N 3.12Å; K200-L203 PolarHBondContact O-N 3.35Å; R201-L203 VanDerWaalsContact C-N 3.3Å; R201-L203 PolarHBondContact O-N 2.81Å; L203-C207 PolarHBondContact O-N 3.44Å; L203-C207 PolarHBondContact O-SG 3.21Å; L203-R619 HydrophobicContact CD2-CB 4.49Å
204	V	97.5	Very high	97.1	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-65.2	-46.5	178.4	179.9	0	0	0	0	110.6	K200 R201 K206 C207 L208 L245 I581 V623	K200-V204 WeakPolarHBondContact O-CG2 3.28Å; K200-V204 PolarHBondContact O-N 2.92Å; K200-V204 VanDerWaalsContact O-N 3.16Å; R201-V204 PolarHBondContact O-N 3.4Å; R201-V204 VanDerWaalsContact O-N 3.16Å; V204-K206 PolarHBondContact O-N 3.43Å; V204-C207 WeakPolarHBondContact O-CB 3.25Å; V204-C207 PolarHBondContact O-N 2.74Å; V204-C207 VanDerWaalsContact O-N 3.09Å; V204-L208 HydrophobicContact CG1-CD1 4.02Å; V204-L208 HydrophobicContact CG1-CG 4.25Å; V204-L208 WeakPolarHBondContact O-CG 3.37Å; V204-L208 PolarHBondContact O-N 3.45Å; V204-L245 HydrophobicContact CB-CD2 3.85Å; V204-L245 HydrophobicContact CG1-CD1 3.81Å; V204-L245 HydrophobicContact CG1-CD2 3.72Å; V204-L245 HydrophobicContact CG1-CG 4.38Å; V204-I581 HydrophobicContact CG1-CD1 4.01Å; V204-V623 HydrophobicContact CG1-CG1 4.23Å; V204-V623 HydrophobicContact CG1-CG2 4.45Å; V204-V623 HydrophobicContact CG2-CG2 3.84Å
205	L	98.1	Very high	96.9	Very high	7 Å²	7	38.5 Å²	38.5	4%	0.037	17%	0.174	C	C	.	.	H	α-helix	trans	-57.8	-45.8	177.9	-70.9	172.7	0	0	0	112.2	R201 N202 C207 L208 A209 E233 D235 T241 L245	R201-L205 HydrophobicContact CG-CD1 3.83Å; R201-L205 HydrophobicContact CG-CG 4.19Å; R201-L205 VanDerWaalsContact O-CG 3.32Å; R201-L205 WeakPolarHBondContact O-CG 3.39Å; R201-L205 PolarHBondContact O-N 3.02Å; N202-L205 PolarHBondContact O-N 3.24Å; L205-C207 VanDerWaalsContact C-N 3.27Å; L205-C207 PolarHBondContact O-N 3.24Å; L205-L208 PolarHBondContact O-N 3.01Å; L205-L208 VanDerWaalsContact O-N 3.16Å; L205-A209 WeakPolarHBondContact O-CB 3.46Å; L205-A209 PolarHBondContact O-N 2.94Å; L205-E233 HydrophobicContact CD2-CG 3.53Å; L205-D235 HydrophobicContact CB-CB 4.21Å; L205-T241 HydrophobicContact CD2-CG2 3.89Å; L205-L245 HydrophobicContact CD2-CB 3.89Å; L205-L245 HydrophobicContact CD2-CD2 3.74Å; L205-L245 HydrophobicContact CD2-CG 4.47Å; L205-L245 HydrophobicContact CG-CD2 3.78Å
206	K	97.7	Very high	96.7	Very high	112 Å²	112	38.5 Å²	38.5	49%	0.487	17%	0.174	S	C	.	.	H	α-helix	trans	-55.3	-43.4	175	180	-174	175.3	-171.6	0	111.7	N202 V204 E210	N202-K206 WeakPolarHBondContact O-CB 3.21Å; N202-K206 PolarHBondContact O-N 3.18Å; V204-K206 PolarHBondContact O-N 3.43Å; K206-E210 PolarHBondContact O-N 3.09Å
207	C	97.2	Very high	96.5	Very high	4 Å²	4	44.9 Å²	44.9	3%	0.027	21%	0.207	C	C	.	.	H	α-helix	trans	-69.5	-40.2	178.7	-63.6	0	0	0	0	112	L203 V204 L205 A209 E210 I211 I581 I585	L203-C207 PolarHBondContact O-N 3.44Å; L203-C207 PolarHBondContact O-SG 3.21Å; V204-C207 WeakPolarHBondContact O-CB 3.25Å; V204-C207 PolarHBondContact O-N 2.74Å; V204-C207 VanDerWaalsContact O-N 3.09Å; L205-C207 VanDerWaalsContact C-N 3.27Å; L205-C207 PolarHBondContact O-N 3.24Å; C207-A209 VanDerWaalsContact C-N 3.34Å; C207-A209 PolarHBondContact O-N 3.41Å; C207-E210 PolarHBondContact O-N 3.48Å; C207-I211 WeakPolarHBondContact O-CD1 3.39Å; C207-I211 VanDerWaalsContact O-CG1 3.24Å; C207-I211 WeakPolarHBondContact O-CG1 3.39Å; C207-I211 PolarHBondContact O-N 3.46Å; C207-I581 HydrophobicContact CB-CB 4.45Å; C207-I581 HydrophobicContact CB-CD1 3.78Å; C207-I581 HydrophobicContact CB-CG1 3.87Å; C207-I581 HydrophobicContact CB-CG2 3.81Å; C207-I585 HydrophobicContact CB-CD1 4.31Å
208	L	97.8	Very high	96.2	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-64.8	-36.8	175.8	-65.3	174.8	0	0	0	112.3	V204 L205 I211 R212 T241 I242 L245 I581 A609 L625	V204-L208 HydrophobicContact CG1-CD1 4.02Å; V204-L208 HydrophobicContact CG1-CG 4.25Å; V204-L208 WeakPolarHBondContact O-CG 3.37Å; V204-L208 PolarHBondContact O-N 3.45Å; L205-L208 PolarHBondContact O-N 3.01Å; L205-L208 VanDerWaalsContact O-N 3.16Å; L208-I211 HydrophobicContact CD2-CD1 4.31Å; L208-I211 PolarHBondContact O-N 2.99Å; L208-R212 PolarHBondContact O-N 2.84Å; L208-T241 HydrophobicContact CB-CG2 3.89Å; L208-I242 HydrophobicContact CB-CG2 4.27Å; L208-I242 HydrophobicContact CD2-CG2 3.97Å; L208-I242 PolarHBondContact O-N 2.79Å; L208-L245 HydrophobicContact CD1-CB 4.05Å; L208-I581 HydrophobicContact CD2-CD1 4.14Å; L208-I581 HydrophobicContact CG-CD1 4.36Å; L208-A609 HydrophobicContact CD1-CB 3.88Å; L208-A609 HydrophobicContact CD2-CB 4.26Å; L208-L625 HydrophobicContact CD2-CD2 3.84Å
209	A	97.6	Very high	95.8	Very high	1 Å²	1	43 Å²	43	1%	0.008	20%	0.198	C	C	.	.	H	α-helix	trans	-66.7	-42.4	172.6	0	0	0	0	0	111.9	L205 C207 I211 R212 R213 D235 Q239 T241	L205-A209 WeakPolarHBondContact O-CB 3.46Å; L205-A209 PolarHBondContact O-N 2.94Å; C207-A209 VanDerWaalsContact C-N 3.34Å; C207-A209 PolarHBondContact O-N 3.41Å; A209-I211 PolarHBondContact O-N 2.85Å; A209-R212 PolarHBondContact O-N 3.28Å; A209-R213 WeakPolarHBondContact O-CB 3.37Å; A209-R213 PolarHBondContact O-N 2.68Å; A209-D235 HydrophobicContact CB-CB 4Å; A209-Q239 HydrophobicContact CB-CB 3.89Å; A209-T241 HydrophobicContact CB-CG2 4.44Å
210	E	97.4	Very high	95.5	Very high	56 Å²	56	43 Å²	43	26%	0.262	21%	0.205	S	C	.	.	H	α-helix	trans	-59.8	-45.2	172.6	174.4	171.5	171.9	0	0	111.8	K206 C207 R212 R213 R214 I585	K206-E210 PolarHBondContact O-N 3.09Å; C207-E210 PolarHBondContact O-N 3.48Å; E210-R212 VanDerWaalsContact C-N 3.35Å; E210-R212 PolarHBondContact O-N 2.87Å; E210-R213 PolarHBondContact O-N 3.23Å; E210-R214 VanDerWaalsContact CG-CD 3.5Å; E210-R214 HydrophobicContact CG-CG 4.21Å; E210-R214 WeakPolarHBondContact O-CB 3.45Å; E210-R214 VanDerWaalsContact O-CG 3.29Å; E210-R214 WeakPolarHBondContact O-CG 3.46Å; E210-R214 PolarHBondContact O-N 3.35Å; E210-R214 VanDerWaalsContact OE1-CD 3.29Å; E210-R214 WeakPolarHBondContact OE1-CD 3.36Å; E210-R214 IonicContact OE1-CZ 3.74Å; E210-R214 IonicContact OE1-NE 3.14Å; E210-R214 IonicContact OE1-NH1 2.71Å; E210-R214 PolarHBondContact OE1-NH1 2.89Å; E210-I585 HydrophobicContact CB-CD1 4.47Å; E210-I585 HydrophobicContact CG-CD1 4.2Å
211	I	95.9	Very high	95	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-57	-49.8	176.6	-70.2	159.9	0	0	0	109.6	C207 L208 A209 R213 R214 L215 I242 I585 F588	C207-I211 WeakPolarHBondContact O-CD1 3.39Å; C207-I211 VanDerWaalsContact O-CG1 3.24Å; C207-I211 WeakPolarHBondContact O-CG1 3.39Å; C207-I211 PolarHBondContact O-N 3.46Å; L208-I211 HydrophobicContact CD2-CD1 4.31Å; L208-I211 PolarHBondContact O-N 2.99Å; A209-I211 PolarHBondContact O-N 2.85Å; I211-R213 PolarHBondContact O-N 3.2Å; I211-R214 PolarHBondContact O-N 2.78Å; I211-L215 HydrophobicContact CG2-CD1 3.54Å; I211-L215 HydrophobicContact CG2-CG 4.02Å; I211-L215 VanDerWaalsContact O-CB 3.22Å; I211-L215 WeakPolarHBondContact O-CB 3.39Å; I211-L215 VanDerWaalsContact O-CG 3.25Å; I211-L215 WeakPolarHBondContact O-CG 3.49Å; I211-L215 PolarHBondContact O-N 2.81Å; I211-I242 HydrophobicContact CB-CG2 4.22Å; I211-I242 HydrophobicContact CG2-CB 4.16Å; I211-I242 HydrophobicContact CG2-CG1 4.29Å; I211-I242 HydrophobicContact CG2-CG2 3.89Å; I211-I585 HydrophobicContact CD1-CG1 4.2Å; I211-I585 HydrophobicContact CG1-CB 4.32Å; I211-I585 HydrophobicContact CG1-CG1 3.95Å; I211-I585 HydrophobicContact CG1-CG2 3.98Å; I211-F588 HydrophobicContact CD1-CD2 3.57Å; I211-F588 HydrophobicContact CD1-CE2 4.27Å; I211-F588 HydrophobicContact CD1-CG 4.39Å; I211-F588 HydrophobicContact CG1-CD2 4.4Å; I211-F588 HydrophobicContact CG2-CB 4.42Å
212	R	95.8	Very high	94.5	Very high	39 Å²	39	45.8 Å²	45.8	15%	0.147	22%	0.22	C	C	.	.	H	α-helix	trans	-55.3	-55.6	177.6	-170.1	-164.7	179.4	82	2.7	111.6	L208 A209 E210 R214 L215 L216 V228 T240 T241 I242	L208-R212 PolarHBondContact O-N 2.84Å; A209-R212 PolarHBondContact O-N 3.28Å; E210-R212 VanDerWaalsContact C-N 3.35Å; E210-R212 PolarHBondContact O-N 2.87Å; R212-R214 VanDerWaalsContact C-N 3.28Å; R212-R214 PolarHBondContact O-N 3.14Å; R212-L215 PolarHBondContact O-N 2.81Å; R212-L215 VanDerWaalsContact O-N 3.17Å; R212-L216 HydrophobicContact CG-CD1 3.92Å; R212-L216 HydrophobicContact CG-CG 4.31Å; R212-L216 WeakPolarHBondContact O-CG 3.26Å; R212-L216 PolarHBondContact O-N 2.73Å; R212-V228 VanDerWaalsContact NH1-CG1 3.3Å; R212-V228 PolarHBondContact NH1-O 3.49Å; R212-V228 PolarHBondContact NH2-O 2.79Å; R212-T240 WeakPolarHBondContact CD-O 3.29Å; R212-T241 WeakPolarHBondContact CD-O 3.38Å; R212-T241 PolarHBondContact NH1-O 2.79Å; R212-I242 HydrophobicContact CB-CB 3.93Å; R212-I242 HydrophobicContact CB-CD1 4.41Å; R212-I242 HydrophobicContact CG-CD1 4.32Å
213	R	95.1	Very high	94	Very high	123 Å²	123	44.2 Å²	44.2	46%	0.464	22%	0.216	S	C	.	.	H	α-helix	trans	-56.4	-43.9	-176.9	-179.9	175.6	55.1	76.4	3.2	111.6	A209 E210 I211 L217	A209-R213 WeakPolarHBondContact O-CB 3.37Å; A209-R213 PolarHBondContact O-N 2.68Å; E210-R213 PolarHBondContact O-N 3.23Å; I211-R213 PolarHBondContact O-N 3.2Å; R213-L217 WeakPolarHBondContact O-CG 3.27Å
214	R	96.7	Very high	93.6	Very high	64 Å²	64	46.8 Å²	46.8	24%	0.242	23%	0.23	C	C	.	.	H	α-helix	trans	-74.1	-36.3	-179.9	-66.5	174.9	66.4	-178	-6.5	112.1	E210 I211 R212 L217 I218 E586 L589	E210-R214 VanDerWaalsContact CG-CD 3.5Å; E210-R214 HydrophobicContact CG-CG 4.21Å; E210-R214 WeakPolarHBondContact O-CB 3.45Å; E210-R214 VanDerWaalsContact O-CG 3.29Å; E210-R214 WeakPolarHBondContact O-CG 3.46Å; E210-R214 PolarHBondContact O-N 3.35Å; E210-R214 VanDerWaalsContact OE1-CD 3.29Å; E210-R214 WeakPolarHBondContact OE1-CD 3.36Å; E210-R214 IonicContact OE1-CZ 3.74Å; E210-R214 IonicContact OE1-NE 3.14Å; E210-R214 IonicContact OE1-NH1 2.71Å; E210-R214 PolarHBondContact OE1-NH1 2.89Å; I211-R214 PolarHBondContact O-N 2.78Å; R212-R214 VanDerWaalsContact C-N 3.28Å; R212-R214 PolarHBondContact O-N 3.14Å; R214-L217 PolarHBondContact O-N 2.94Å; R214-I218 WeakPolarHBondContact O-CD1 3.36Å; R214-I218 VanDerWaalsContact O-CG1 3.3Å; R214-I218 WeakPolarHBondContact O-CG1 3.32Å; R214-I218 PolarHBondContact O-N 2.95Å; R214-E586 IonicContact CZ-OE1 3.18Å; R214-E586 IonicContact NH1-OE1 2.97Å; R214-E586 PolarHBondContact NH1-OE1 3.32Å; R214-E586 IonicContact NH2-OE1 2.86Å; R214-E586 PolarHBondContact NH2-OE1 3.3Å; R214-E586 IonicContact NH2-OE2 3.93Å; R214-L589 HydrophobicContact CB-CD1 4.15Å; R214-L589 HydrophobicContact CB-CD2 3.88Å; R214-L589 VanDerWaalsContact CZ-CD1 3.49Å
215	L	92.5	Very high	93	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-65.6	-44.6	176.3	-80.5	-178.7	0	0	0	112.3	I211 R212 L217 I218 N219 I222 I242 L589 A592	I211-L215 HydrophobicContact CG2-CD1 3.54Å; I211-L215 HydrophobicContact CG2-CG 4.02Å; I211-L215 VanDerWaalsContact O-CB 3.22Å; I211-L215 WeakPolarHBondContact O-CB 3.39Å; I211-L215 VanDerWaalsContact O-CG 3.25Å; I211-L215 WeakPolarHBondContact O-CG 3.49Å; I211-L215 PolarHBondContact O-N 2.81Å; R212-L215 PolarHBondContact O-N 2.81Å; R212-L215 VanDerWaalsContact O-N 3.17Å; L215-L217 PolarHBondContact O-N 2.82Å; L215-I218 CarbonylContact O-C 3.47Å; L215-I218 WeakPolarHBondContact O-CA 3.33Å; L215-I218 PolarHBondContact O-N 3.41Å; L215-N219 PolarHBondContact O-N 3.13Å; L215-I222 HydrophobicContact CD2-CD1 4.49Å; L215-I242 HydrophobicContact CD1-CD1 3.88Å; L215-I242 HydrophobicContact CD1-CG1 4.01Å; L215-L589 HydrophobicContact CB-CD2 4.48Å; L215-L589 HydrophobicContact CD2-CB 4.43Å; L215-L589 HydrophobicContact CD2-CD2 3.51Å; L215-L589 HydrophobicContact CG-CD2 3.55Å; L215-A592 HydrophobicContact CD1-CB 3.96Å; L215-A592 HydrophobicContact CD2-CB 3.46Å; L215-A592 VanDerWaalsContact CD2-CB 3.46Å; L215-A592 HydrophobicContact CG-CB 4.38Å
216	L	93	Very high	92.4	Very high	56 Å²	56	52.2 Å²	52.2	29%	0.293	26%	0.259	S	S	.	.	H	α-helix	trans	-63.5	-27.4	-179.8	-68.5	177.2	0	0	0	112.8	R212 P220	R212-L216 HydrophobicContact CG-CD1 3.92Å; R212-L216 HydrophobicContact CG-CG 4.31Å; R212-L216 WeakPolarHBondContact O-CG 3.26Å; R212-L216 PolarHBondContact O-N 2.73Å; L216-P220 WeakPolarHBondContact O-CA 3.14Å; L216-P220 WeakPolarHBondContact O-CG 3.13Å
217	L	94.4	Very high	91.8	Very high	140 Å²	140	49 Å²	49	73%	0.733	25%	0.251	S	S	*	.	H	α-helix	trans	-73	-28.4	171.4	-67.2	172.4	0	0	0	113.1	R213 R214 L215	R213-L217 WeakPolarHBondContact O-CG 3.27Å; R214-L217 PolarHBondContact O-N 2.94Å; L215-L217 PolarHBondContact O-N 2.82Å
218	I	91.1	Very high	91.3	Very high	48 Å²	48	48.8 Å²	48.8	25%	0.246	25%	0.25	C	C	.	.	H	α-helix	trans	-93.2	-36.7	-174.9	-68.3	165.9	0	0	0	111.6	R214 L215 L589 R593	R214-I218 WeakPolarHBondContact O-CD1 3.36Å; R214-I218 VanDerWaalsContact O-CG1 3.3Å; R214-I218 WeakPolarHBondContact O-CG1 3.32Å; R214-I218 PolarHBondContact O-N 2.95Å; L215-I218 CarbonylContact O-C 3.47Å; L215-I218 WeakPolarHBondContact O-CA 3.33Å; L215-I218 PolarHBondContact O-N 3.41Å; I218-L589 HydrophobicContact CD1-CD1 4.3Å; I218-L589 HydrophobicContact CD1-CD2 4.49Å; I218-R593 HydrophobicContact CG2-CG 3.56Å
219	N	89.7	Confident	90.8	Very high	12 Å²	12	54.2 Å²	54.2	6%	0.064	27%	0.273	C	S	.	.			trans	-143.2	80.7	-176.8	-168.4	-2.2	0	0	0	109.4	L215 E221 I222 A592 P594	L215-N219 PolarHBondContact O-N 3.13Å; N219-E221 PolarHBondContact O-N 2.98Å; N219-I222 HydrophobicContact CB-CD1 3.7Å; N219-I222 HydrophobicContact CB-CG1 3.99Å; N219-I222 WeakPolarHBondContact ND2-CD1 3.44Å; N219-I222 WeakPolarHBondContact ND2-CG1 3.27Å; N219-I222 WeakPolarHBondContact O-CB 3.44Å; N219-I222 PolarHBondContact O-N 3.16Å; N219-I222 VanDerWaalsContact O-N 3.12Å; N219-A592 PolarHBondContact ND2-O 2.99Å; N219-P594 HydrophobicContact CB-CG 3.8Å
220	P	89.7	Confident	90.2	Very high	85 Å²	85	60.7 Å²	60.7	55%	0.552	30%	0.301	S	S	*	.	G	3₁₀ helix	trans	-56.9	-30.7	-178.2	-25.7	34.5	0	0	0	113.7	L216 I222 G223	L216-P220 WeakPolarHBondContact O-CA 3.14Å; L216-P220 WeakPolarHBondContact O-CG 3.13Å; P220-I222 PolarHBondContact O-N 2.93Å; P220-I222 VanDerWaalsContact O-N 3.15Å; P220-G223 PolarHBondContact O-N 3.03Å
221	E	86.5	Confident	89.9	Confident	117 Å²	117	58.7 Å²	58.7	55%	0.547	29%	0.293	S	S	.	.	G	3₁₀ helix	trans	-59.6	-25.4	179	-61.3	-55.5	140.7	0	0	113.3	N219 G223 N224	N219-E221 PolarHBondContact O-N 2.98Å; E221-G223 PolarHBondContact O-N 3.3Å; E221-N224 WeakPolarHBondContact O-CB 3.4Å; E221-N224 PolarHBondContact O-N 2.96Å; E221-N224 PolarHBondContact OE2-ND2 3.23Å
222	I	87.4	Confident	89.6	Confident	0 Å²	0	66.9 Å²	66.9	0%	0	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-59.9	-29.8	174.8	-70.3	176.6	0	0	0	111.3	L215 N219 P220 N224 V225 V228 I242 A592 V605 I630	L215-I222 HydrophobicContact CD2-CD1 4.49Å; N219-I222 HydrophobicContact CB-CD1 3.7Å; N219-I222 HydrophobicContact CB-CG1 3.99Å; N219-I222 WeakPolarHBondContact ND2-CD1 3.44Å; N219-I222 WeakPolarHBondContact ND2-CG1 3.27Å; N219-I222 WeakPolarHBondContact O-CB 3.44Å; N219-I222 PolarHBondContact O-N 3.16Å; N219-I222 VanDerWaalsContact O-N 3.12Å; P220-I222 PolarHBondContact O-N 2.93Å; P220-I222 VanDerWaalsContact O-N 3.15Å; I222-N224 PolarHBondContact O-N 3.3Å; I222-N224 VanDerWaalsContact O-N 3.16Å; I222-V225 WeakPolarHBondContact O-CB 3.42Å; I222-V225 WeakPolarHBondContact O-CG2 3.49Å; I222-V225 PolarHBondContact O-N 3.08Å; I222-V225 VanDerWaalsContact O-N 3.1Å; I222-V228 HydrophobicContact CG2-CB 4.35Å; I222-V228 HydrophobicContact CG2-CG1 4.12Å; I222-V228 HydrophobicContact CG2-CG2 3.82Å; I222-V228 WeakPolarHBondContact O-CB 3.37Å; I222-I242 HydrophobicContact CG2-CD1 4.15Å; I222-A592 HydrophobicContact CD1-CB 3.62Å; I222-V605 HydrophobicContact CG2-CG2 3.77Å; I222-I630 HydrophobicContact CD1-CD1 4.15Å; I222-I630 HydrophobicContact CG1-CD1 3.59Å
223	G	87.2	Confident	89.5	Confident	18 Å²	18	66.4 Å²	66.4	19%	0.186	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-63.1	-18.3	177.1	0	0	0	0	0	114	P220 E221	P220-G223 PolarHBondContact O-N 3.03Å; E221-G223 PolarHBondContact O-N 3.3Å
224	N	86.8	Confident	89.6	Confident	101 Å²	101	66.2 Å²	66.2	54%	0.54	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	-91.5	-8.6	177.8	-63.4	-38.5	0	0	0	113.2	E221 I222	E221-N224 WeakPolarHBondContact O-CB 3.4Å; E221-N224 PolarHBondContact O-N 2.96Å; E221-N224 PolarHBondContact OE2-ND2 3.23Å; I222-N224 PolarHBondContact O-N 3.3Å; I222-N224 VanDerWaalsContact O-N 3.16Å
225	V	84.9	Confident	89.6	Confident	14 Å²	14	63.7 Å²	63.7	9%	0.085	32%	0.323	C	S	.	.	S	Bend	trans	-73.1	128.3	178.3	-177.4	0	0	0	0	109	I222 S227 V228 K229 I630	I222-V225 WeakPolarHBondContact O-CB 3.42Å; I222-V225 WeakPolarHBondContact O-CG2 3.49Å; I222-V225 PolarHBondContact O-N 3.08Å; I222-V225 VanDerWaalsContact O-N 3.1Å; V225-S227 VanDerWaalsContact C-N 3.28Å; V225-S227 WeakPolarHBondContact CG1-OG 3.38Å; V225-S227 PolarHBondContact O-N 2.91Å; V225-V228 HydrophobicContact CB-CB 4.42Å; V225-V228 HydrophobicContact CB-CG2 4.32Å; V225-V228 CarbonylContact O-C 3.54Å; V225-V228 WeakPolarHBondContact O-CA 3.41Å; V225-V228 WeakPolarHBondContact O-CB 3.03Å; V225-V228 PolarHBondContact O-N 2.82Å; V225-K229 WeakPolarHBondContact O-CB 3.45Å; V225-K229 PolarHBondContact O-N 3.2Å; V225-I630 HydrophobicContact CG2-CG2 3.7Å
226	D	86.8	Confident	89.6	Confident	106 Å²	106	67.7 Å²	67.7	57%	0.567	35%	0.35	S	S	*	.	H	α-helix	trans	-54.7	-41.6	-174.3	-70.9	-18.1	0	0	0	113.4	V228 K229 F230	D226-V228 PolarHBondContact O-N 3.13Å; D226-V228 VanDerWaalsContact O-N 3.08Å; D226-K229 PolarHBondContact O-N 3.26Å; D226-F230 HydrophobicContact CB-CD2 3.98Å; D226-F230 HydrophobicContact CB-CE2 4.14Å; D226-F230 WeakPolarHBondContact O-CD2 3.24Å; D226-F230 PolarHBondContact O-N 3.03Å; D226-F230 VanDerWaalsContact O-N 3.12Å; D226-F230 WeakPolarHBondContact OD1-CE2 3.45Å
227	S	84	Confident	89.7	Confident	44 Å²	44	70 Å²	70	31%	0.308	36%	0.363	S	S	.	.	H	α-helix	trans	-64.3	-11	176.6	61.5	0	0	0	0	114.6	V225 V231	V225-S227 VanDerWaalsContact C-N 3.28Å; V225-S227 WeakPolarHBondContact CG1-OG 3.38Å; V225-S227 PolarHBondContact O-N 2.91Å; S227-V231 WeakPolarHBondContact O-CG2 3.47Å
228	V	86.7	Confident	89.7	Confident	0 Å²	0	68 Å²	68	0%	0	36%	0.361	C	S	.	.	H	α-helix	trans	-112.1	-38.6	175.9	177.7	0	0	0	0	111.5	R212 I222 V225 D226 I242 V605	R212-V228 VanDerWaalsContact NH1-CG1 3.3Å; R212-V228 PolarHBondContact NH1-O 3.49Å; R212-V228 PolarHBondContact NH2-O 2.79Å; I222-V228 HydrophobicContact CG2-CB 4.35Å; I222-V228 HydrophobicContact CG2-CG1 4.12Å; I222-V228 HydrophobicContact CG2-CG2 3.82Å; I222-V228 WeakPolarHBondContact O-CB 3.37Å; V225-V228 HydrophobicContact CB-CB 4.42Å; V225-V228 HydrophobicContact CB-CG2 4.32Å; V225-V228 CarbonylContact O-C 3.54Å; V225-V228 WeakPolarHBondContact O-CA 3.41Å; V225-V228 WeakPolarHBondContact O-CB 3.03Å; V225-V228 PolarHBondContact O-N 2.82Å; D226-V228 PolarHBondContact O-N 3.13Å; D226-V228 VanDerWaalsContact O-N 3.08Å; V228-I242 HydrophobicContact CB-CD1 4.48Å; V228-I242 HydrophobicContact CG1-CD1 3.81Å; V228-I242 HydrophobicContact CG2-CD1 3.83Å; V228-V605 HydrophobicContact CG2-CG2 3.78Å
229	K	86.9	Confident	89.9	Confident	114 Å²	114	69.7 Å²	69.7	50%	0.496	37%	0.367	S	S	.	.	H	α-helix	trans	-66.5	-41.4	-176.2	-175.6	-179.4	176.6	-176.5	0	111.8	V225 D226	V225-K229 WeakPolarHBondContact O-CB 3.45Å; V225-K229 PolarHBondContact O-N 3.2Å; D226-K229 PolarHBondContact O-N 3.26Å
230	F	86.9	Confident	90.2	Very high	137 Å²	137	71 Å²	71	60%	0.601	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.8	18.5	-175.9	-60.1	-66.6	0	0	0	113.6	D226 E232	D226-F230 HydrophobicContact CB-CD2 3.98Å; D226-F230 HydrophobicContact CB-CE2 4.14Å; D226-F230 WeakPolarHBondContact O-CD2 3.24Å; D226-F230 PolarHBondContact O-N 3.03Å; D226-F230 VanDerWaalsContact O-N 3.12Å; D226-F230 WeakPolarHBondContact OD1-CE2 3.45Å; F230-E232 PolarHBondContact O-N 3.12Å
231	V	90.2	Very high	90.6	Very high	15 Å²	15	67 Å²	67	9%	0.091	35%	0.35	C	S	.	.			trans	-72.2	113.5	177.4	177.2	0	0	0	0	109.7	S227 E233 T240 T241	S227-V231 WeakPolarHBondContact O-CG2 3.47Å; V231-E233 HydrophobicContact CG1-CB 3.85Å; V231-T240 HydrophobicContact CB-CG2 4.36Å; V231-T240 HydrophobicContact CG1-CG2 4.32Å; V231-T240 VanDerWaalsContact O-CG2 3.26Å; V231-T240 WeakPolarHBondContact O-CG2 3.15Å; V231-T241 WeakPolarHBondContact CG1-OG1 3.46Å
232	E	89.8	Confident	91	Very high	171 Å²	171	61.4 Å²	61.4	80%	0.799	32%	0.324	S	S	*	.			trans	-101.3	44.3	174.2	-61.7	-176.7	157.5	0	0	111.3	F230	F230-E232 PolarHBondContact O-N 3.12Å
233	E	94.3	Very high	91.4	Very high	30 Å²	30	61.4 Å²	61.4	14%	0.14	32%	0.324	C	S	.	.			trans	-122.3	133.9	178.6	-174.3	85.5	-121.6	0	0	108.8	R201 L205 V231 T240 T241 L245	R201-E233 IonicContact CZ-OE1 3.38Å; R201-E233 IonicContact NH2-OE1 3.16Å; R201-E233 PolarHBondContact NH2-OE1 2.96Å; R201-E233 IonicContact NH2-OE2 2.65Å; R201-E233 PolarHBondContact NH2-OE2 2.84Å; R201-E233 VanDerWaalsContact NH2-OE2 3.14Å; L205-E233 HydrophobicContact CD2-CG 3.53Å; V231-E233 HydrophobicContact CG1-CB 3.85Å; E233-T240 CarbonylContact O-C 3.49Å; E233-T240 WeakPolarHBondContact O-CA 3.5Å; E233-T241 WeakPolarHBondContact CB-OG1 3.26Å; E233-T241 HydrophobicContact CG-CG2 4.16Å; E233-T241 PolarHBondContact O-N 2.91Å; E233-T241 PolarHBondContact O-OG1 3.14Å; E233-L245 PolarHBondContact OE2-N 2.92Å
234	Y	96.2	Very high	91.8	Very high	118 Å²	118	67.3 Å²	67.3	46%	0.463	35%	0.345	S	S	.	.	B	Isolated β-bridge	trans	-132.9	147.2	-169.5	-55.9	-92.5	0	0	0	110.9	Q239 T240	Y234-Q239 CarbonylContact C-O 3.54Å; Y234-Q239 VanDerWaalsContact CA-O 3.32Å; Y234-Q239 WeakPolarHBondContact CA-O 3.33Å; Y234-T240 HydrophobicContact CE1-CG2 4.49Å; Y234-T240 WeakPolarHBondContact CE1-OG1 3.4Å
235	D	96.2	Very high	92.3	Very high	12 Å²	12	62.6 Å²	62.6	6%	0.064	32%	0.319	C	S	.	.			trans	-77	178.8	167.7	85.1	-19.7	0	0	0	112.1	L205 A209 N237 S238 Q239	L205-D235 HydrophobicContact CB-CB 4.21Å; A209-D235 HydrophobicContact CB-CB 4Å; D235-N237 PolarHBondContact O-N 2.66Å; D235-N237 VanDerWaalsContact O-N 3.11Å; D235-N237 VanDerWaalsContact OD1-C 3.27Å; D235-N237 WeakPolarHBondContact OD1-CA 3.39Å; D235-N237 WeakPolarHBondContact OD1-CB 2.93Å; D235-N237 PolarHBondContact OD1-N 3.12Å; D235-N237 PolarHBondContact OD2-ND2 2.81Å; D235-N237 VanDerWaalsContact OD2-ND2 3.14Å; D235-S238 PolarHBondContact O-N 3.03Å; D235-S238 PolarHBondContact OD1-N 2.81Å; D235-Q239 PolarHBondContact N-O 3.34Å; D235-Q239 WeakPolarHBondContact OD1-CA 3.27Å; D235-Q239 WeakPolarHBondContact OD1-CB 3.39Å; D235-Q239 PolarHBondContact OD1-N 3.31Å
236	S	93.2	Very high	92.8	Very high	83 Å²	83	63.2 Å²	63.2	58%	0.58	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-12.8	177.8	55.2	0	0	0	0	114.5
237	N	94.7	Very high	93.2	Very high	105 Å²	105	63.2 Å²	63.2	56%	0.561	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.2	17.1	175.1	-52.4	-69	0	0	0	112.1	D235 Q239	D235-N237 PolarHBondContact O-N 2.66Å; D235-N237 VanDerWaalsContact O-N 3.11Å; D235-N237 VanDerWaalsContact OD1-C 3.27Å; D235-N237 WeakPolarHBondContact OD1-CA 3.39Å; D235-N237 WeakPolarHBondContact OD1-CB 2.93Å; D235-N237 PolarHBondContact OD1-N 3.12Å; D235-N237 PolarHBondContact OD2-ND2 2.81Å; D235-N237 VanDerWaalsContact OD2-ND2 3.14Å; N237-Q239 HydrophobicContact CB-CG 4.32Å; N237-Q239 PolarHBondContact O-N 3.39Å
238	S	94.6	Very high	93.9	Very high	98 Å²	98	61.8 Å²	61.8	69%	0.685	32%	0.321	S	S	*	.	S	Bend	trans	59.2	24.2	-177.2	-49.8	0	0	0	0	113.9	D235	D235-S238 PolarHBondContact O-N 3.03Å; D235-S238 PolarHBondContact OD1-N 2.81Å
239	Q	96	Very high	94.4	Very high	83 Å²	83	63.6 Å²	63.6	39%	0.388	33%	0.33	S	S	.	.	P	Polyproline II helix	trans	-85.5	126.5	172.4	-60.3	-173.1	3.6	0	0	109.8	A209 Y234 D235 N237	A209-Q239 HydrophobicContact CB-CB 3.89Å; Y234-Q239 CarbonylContact C-O 3.54Å; Y234-Q239 VanDerWaalsContact CA-O 3.32Å; Y234-Q239 WeakPolarHBondContact CA-O 3.33Å; D235-Q239 PolarHBondContact N-O 3.34Å; D235-Q239 WeakPolarHBondContact OD1-CA 3.27Å; D235-Q239 WeakPolarHBondContact OD1-CB 3.39Å; D235-Q239 PolarHBondContact OD1-N 3.31Å; N237-Q239 HydrophobicContact CB-CG 4.32Å; N237-Q239 PolarHBondContact O-N 3.39Å
240	T	96.5	Very high	95	Very high	41 Å²	41	61 Å²	61	25%	0.252	33%	0.325	S	S	.	.	B	Isolated β-bridge	trans	-62.2	138.9	177.1	-45.4	0	0	0	0	111.2	R212 V231 E233 Y234	R212-T240 WeakPolarHBondContact CD-O 3.29Å; V231-T240 HydrophobicContact CB-CG2 4.36Å; V231-T240 HydrophobicContact CG1-CG2 4.32Å; V231-T240 VanDerWaalsContact O-CG2 3.26Å; V231-T240 WeakPolarHBondContact O-CG2 3.15Å; E233-T240 CarbonylContact O-C 3.49Å; E233-T240 WeakPolarHBondContact O-CA 3.5Å; Y234-T240 HydrophobicContact CE1-CG2 4.49Å; Y234-T240 WeakPolarHBondContact CE1-OG1 3.4Å
241	T	97.2	Very high	95.5	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-83.8	165.7	177.3	62.7	0	0	0	0	112.6	L205 L208 A209 R212 V231 E233 C243	L205-T241 HydrophobicContact CD2-CG2 3.89Å; L208-T241 HydrophobicContact CB-CG2 3.89Å; A209-T241 HydrophobicContact CB-CG2 4.44Å; R212-T241 WeakPolarHBondContact CD-O 3.38Å; R212-T241 PolarHBondContact NH1-O 2.79Å; V231-T241 WeakPolarHBondContact CG1-OG1 3.46Å; E233-T241 WeakPolarHBondContact CB-OG1 3.26Å; E233-T241 HydrophobicContact CG-CG2 4.16Å; E233-T241 PolarHBondContact O-N 2.91Å; E233-T241 PolarHBondContact O-OG1 3.14Å; T241-C243 VanDerWaalsContact C-N 3.32Å; T241-C243 WeakPolarHBondContact CB-O 3.47Å; T241-C243 PolarHBondContact OG1-O 3.27Å
242	I	95.6	Very high	95.9	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	32%	0.317	C	S	.	.	S	Bend	trans	-70.4	-31.7	177.5	-174.4	59.4	0	0	0	112	L208 I211 R212 L215 I222 V228 V605 P606	L208-I242 HydrophobicContact CB-CG2 4.27Å; L208-I242 HydrophobicContact CD2-CG2 3.97Å; L208-I242 PolarHBondContact O-N 2.79Å; I211-I242 HydrophobicContact CB-CG2 4.22Å; I211-I242 HydrophobicContact CG2-CB 4.16Å; I211-I242 HydrophobicContact CG2-CG1 4.29Å; I211-I242 HydrophobicContact CG2-CG2 3.89Å; R212-I242 HydrophobicContact CB-CB 3.93Å; R212-I242 HydrophobicContact CB-CD1 4.41Å; R212-I242 HydrophobicContact CG-CD1 4.32Å; L215-I242 HydrophobicContact CD1-CD1 3.88Å; L215-I242 HydrophobicContact CD1-CG1 4.01Å; I222-I242 HydrophobicContact CG2-CD1 4.15Å; V228-I242 HydrophobicContact CB-CD1 4.48Å; V228-I242 HydrophobicContact CG1-CD1 3.81Å; V228-I242 HydrophobicContact CG2-CD1 3.83Å; I242-V605 HydrophobicContact CD1-CG2 4.25Å; I242-V605 HydrophobicContact CG1-CG2 4.47Å; I242-P606 HydrophobicContact CG1-CB 4.37Å; I242-P606 HydrophobicContact CG1-CG 4.26Å; I242-P606 HydrophobicContact CG2-CB 4.1Å; I242-P606 HydrophobicContact CG2-CG 4.3Å
243	C	95	Very high	96.2	Very high	0 Å²	0	52 Å²	52	0%	0	29%	0.292	C	S	.	.	S	Bend	trans	-151.4	168.6	179.3	60	0	0	0	0	110.7	T241 T607	T241-C243 VanDerWaalsContact C-N 3.32Å; T241-C243 WeakPolarHBondContact CB-O 3.47Å; T241-C243 PolarHBondContact OG1-O 3.27Å; C243-T607 WeakPolarHBondContact CB-O 3.33Å
244	K	95.2	Very high	96.2	Very high	142 Å²	142	55 Å²	55	62%	0.617	31%	0.306	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69	140.7	175.1	-173.8	176.2	-179.6	176.1	0	111.2	A609	K244-A609 PolarHBondContact O-N 3.05Å
245	L	96.9	Very high	96.1	Very high	1 Å²	1	52.3 Å²	52.3	1%	0.005	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	113.9	172	177.4	61.6	0	0	0	109.7	R201 V204 L205 L208 E233 I248 A609	R201-L245 HydrophobicContact CG-CD2 3.81Å; R201-L245 PolarHBondContact NH1-O 3.4Å; R201-L245 PolarHBondContact NH2-O 3.45Å; V204-L245 HydrophobicContact CB-CD2 3.85Å; V204-L245 HydrophobicContact CG1-CD1 3.81Å; V204-L245 HydrophobicContact CG1-CD2 3.72Å; V204-L245 HydrophobicContact CG1-CG 4.38Å; L205-L245 HydrophobicContact CD2-CB 3.89Å; L205-L245 HydrophobicContact CD2-CD2 3.74Å; L205-L245 HydrophobicContact CD2-CG 4.47Å; L205-L245 HydrophobicContact CG-CD2 3.78Å; L208-L245 HydrophobicContact CD1-CB 4.05Å; E233-L245 PolarHBondContact OE2-N 2.92Å; L245-I248 HydrophobicContact CD2-CD1 4.44Å; L245-A609 WeakPolarHBondContact CA-O 3.38Å; L245-A609 HydrophobicContact CD1-CB 3.82Å
246	A	95.9	Very high	96	Very high	27 Å²	27	56 Å²	56	22%	0.223	32%	0.319	C	S	.	.	P	Polyproline II helix	trans	-57.6	158.6	171.4	0	0	0	0	0	111.3	R201 I248 A609 E610	R201-A246 PolarHBondContact NH1-O 3.36Å; A246-I248 PolarHBondContact O-N 2.92Å; A246-A609 PolarHBondContact N-O 3.09Å; A246-E610 HydrophobicContact CB-CG 3.95Å
247	P	95.9	Very high	96.1	Very high	107 Å²	107	52.6 Å²	52.6	70%	0.695	29%	0.293	S	S	*	.	P	Polyproline II helix	trans	-51	140.7	171.9	-26.2	35.5	0	0	0	111.3	I249	P247-I249 PolarHBondContact O-N 2.97Å
248	I	97.8	Very high	96.1	Very high	14 Å²	14	51.1 Å²	51.1	7%	0.072	28%	0.28	C	S	.	.	P	Polyproline II helix	trans	-63.1	126.4	176.6	-54.3	-61.3	0	0	0	107.7	L197 R201 L245 A246 P250 A611	L197-I248 HydrophobicContact CD2-CB 4.43Å; L197-I248 HydrophobicContact CD2-CG2 3.97Å; R201-I248 HydrophobicContact CB-CD1 4.2Å; R201-I248 HydrophobicContact CB-CG1 3.82Å; R201-I248 HydrophobicContact CG-CG1 4.37Å; L245-I248 HydrophobicContact CD2-CD1 4.44Å; A246-I248 PolarHBondContact O-N 2.92Å; I248-P250 WeakPolarHBondContact O-CD 3.35Å; I248-A611 HydrophobicContact CD1-CB 3.69Å
249	I	98.4	Very high	96.2	Very high	37 Å²	37	47.4 Å²	47.4	19%	0.19	25%	0.252	C	S	.	.	B	Isolated β-bridge	trans	-77.9	118.6	178.9	-63.8	164.7	0	0	0	107.5	P247 L445 R449 A611 V612 D613	P247-I249 PolarHBondContact O-N 2.97Å; I249-L445 HydrophobicContact CG2-CD1 4.06Å; I249-R449 HydrophobicContact CD1-CG 3.4Å; I249-R449 VanDerWaalsContact CD1-CG 3.4Å; I249-A611 PolarHBondContact N-O 3.08Å; I249-V612 HydrophobicContact CB-CB 4.5Å; I249-V612 HydrophobicContact CB-CG1 4.33Å; I249-V612 HydrophobicContact CB-CG2 4.22Å; I249-V612 HydrophobicContact CD1-CG2 3.99Å; I249-V612 HydrophobicContact CG2-CG1 4.21Å; I249-D613 PolarHBondContact O-N 3.46Å
250	P	98.4	Very high	96.2	Very high	60 Å²	60	45.3 Å²	45.3	39%	0.39	24%	0.242	S	C	.	.	P	Polyproline II helix	trans	-68.8	142.9	-178.2	27.9	-33.6	0	0	0	110.8	Y192 L197 I248	Y192-P250 HydrophobicContact CE1-CB 3.9Å; Y192-P250 VanDerWaalsContact OH-CA 3.26Å; Y192-P250 WeakPolarHBondContact OH-CA 3.45Å; Y192-P250 WeakPolarHBondContact OH-CB 3.13Å; L197-P250 HydrophobicContact CD1-CB 4.29Å; I248-P250 WeakPolarHBondContact O-CD 3.35Å
251	S	98.3	Very high	96.1	Very high	7 Å²	7	43.4 Å²	43.4	5%	0.049	23%	0.23	C	C	.	.	P	Polyproline II helix	trans	-52.1	134	163.2	-168.7	0	0	0	0	110.8	Y192 I253 N439 D613	Y192-S251 WeakPolarHBondContact OH-CB 3.49Å; Y192-S251 PolarHBondContact OH-N 3.31Å; S251-I253 WeakPolarHBondContact CB-O 3.44Å; S251-I253 PolarHBondContact O-N 2.71Å; S251-I253 PolarHBondContact OG-N 3.23Å; S251-I253 PolarHBondContact OG-O 2.82Å; S251-N439 PolarHBondContact OG-ND2 2.94Å; S251-D613 WeakPolarHBondContact CA-O 3.46Å; S251-D613 WeakPolarHBondContact CB-O 3.49Å
252	P	97.4	Very high	96	Very high	74 Å²	74	49.4 Å²	49.4	48%	0.481	26%	0.258	S	S	.	.	S	Bend	trans	-70.3	-15.1	172.9	29.4	-33.7	0	0	0	112.5	L441 L445	P252-L441 HydrophobicContact CB-CB 4.44Å; P252-L441 HydrophobicContact CG-CB 3.45Å; P252-L441 VanDerWaalsContact CG-CB 3.45Å; P252-L445 HydrophobicContact CG-CD1 4.2Å
253	I	96.3	Very high	96	Very high	54 Å²	54	49.5 Å²	49.5	28%	0.277	26%	0.258	S	S	.	.			trans	-141.1	132.5	179.8	-174.7	169.4	0	0	0	110.9	S251 T255 L441 P616	S251-I253 WeakPolarHBondContact CB-O 3.44Å; S251-I253 PolarHBondContact O-N 2.71Å; S251-I253 PolarHBondContact OG-N 3.23Å; S251-I253 PolarHBondContact OG-O 2.82Å; I253-T255 WeakPolarHBondContact CD1-O 3.5Å; I253-T255 WeakPolarHBondContact CG1-O 3.4Å; I253-L441 HydrophobicContact CB-CD1 4.4Å; I253-L441 HydrophobicContact CG2-CB 4.46Å; I253-L441 HydrophobicContact CG2-CD1 4.06Å; I253-P616 WeakPolarHBondContact O-CG 3.33Å
254	Q	94.5	Very high	96	Very high	92 Å²	92	50.4 Å²	50.4	43%	0.43	26%	0.264	S	S	.	.	S	Bend	trans	-106.8	-20.1	-172.7	-62.4	172.6	32.7	0	0	114	Y192 P616	Y192-Q254 HydrophobicContact CD1-CG 4Å; Y192-Q254 HydrophobicContact CD2-CG 4.06Å; Y192-Q254 HydrophobicContact CE1-CG 4.12Å; Y192-Q254 HydrophobicContact CE2-CG 4.2Å; Y192-Q254 HydrophobicContact CG-CG 3.94Å; Q254-P616 HydrophobicContact CB-CB 4.37Å
255	T	93.5	Very high	96	Very high	61 Å²	61	43.8 Å²	43.8	37%	0.374	24%	0.236	S	C	.	.	S	Bend	trans	-129.3	154	-179.4	55.8	0	0	0	0	109	I253 Y257 N297	I253-T255 WeakPolarHBondContact CD1-O 3.5Å; I253-T255 WeakPolarHBondContact CG1-O 3.4Å; T255-Y257 PolarHBondContact O-N 3.4Å; T255-N297 CarbonylContact C-O 3.6Å; T255-N297 WeakPolarHBondContact CA-O 3.32Å; T255-N297 WeakPolarHBondContact CB-O 3.28Å; T255-N297 HydrophobicContact CG2-CB 4.31Å
256	E	94.5	Very high	95.8	Very high	90 Å²	90	44.1 Å²	44.1	42%	0.421	24%	0.239	S	C	.	.	S	Bend	trans	57.9	16.6	178.9	-56.9	-167.3	-145.9	0	0	113.8	R258 N297 F298 R301	E256-R258 VanDerWaalsContact C-N 3.35Å; E256-N297 PolarHBondContact N-O 3.42Å; E256-F298 CarbonylContact C-O 3.52Å; E256-F298 WeakPolarHBondContact CA-O 3.42Å; E256-R301 VanDerWaalsContact OE2-CB 3.28Å; E256-R301 WeakPolarHBondContact OE2-CB 3.39Å; E256-R301 PolarHBondContact OE2-N 2.8Å
257	Y	95.6	Very high	95.6	Very high	11 Å²	11	46.5 Å²	46.5	4%	0.043	24%	0.243	C	C	.	.			trans	-76.5	-24.3	-174.5	70	-100.2	0	0	0	112.7	T255 N259 F298 N439 L614 P616	T255-Y257 PolarHBondContact O-N 3.4Å; Y257-N259 PolarHBondContact O-N 3.43Å; Y257-F298 HydrophobicContact CD1-CB 4.22Å; Y257-F298 HydrophobicContact CE1-CB 3.69Å; Y257-F298 PolarHBondContact N-O 2.89Å; Y257-N439 HydrophobicContact CD2-CB 3.9Å; Y257-L614 WeakPolarHBondContact CE2-O 3.26Å; Y257-P616 HydrophobicContact CD1-CB 4.38Å; Y257-P616 HydrophobicContact CD1-CG 4.12Å; Y257-P616 HydrophobicContact CE1-CB 3.93Å; Y257-P616 HydrophobicContact CE1-CG 4.02Å; Y257-P616 PolarHBondContact OH-O 2.94Å
258	R	95.7	Very high	95.2	Very high	75 Å²	75	42 Å²	42	28%	0.283	21%	0.213	S	C	.	.			trans	-90.7	88.5	-163.8	-166.2	-171.1	177.5	78.9	6.6	111.6	E256 K260 F298 P300 V438	E256-R258 VanDerWaalsContact C-N 3.35Å; R258-K260 WeakPolarHBondContact CG-O 3.3Å; R258-K260 PolarHBondContact NE-O 3.1Å; R258-K260 PolarHBondContact O-N 2.92Å; R258-K260 VanDerWaalsContact O-N 3.13Å; R258-F298 HydrophobicContact CB-CB 4.47Å; R258-F298 HydrophobicContact CB-CD2 3.82Å; R258-F298 VanDerWaalsContact CB-O 3.24Å; R258-F298 WeakPolarHBondContact CB-O 3.21Å; R258-F298 VanDerWaalsContact CD-CD2 3.46Å; R258-F298 HydrophobicContact CG-CD2 4.26Å; R258-F298 PolarHBondContact N-O 2.81Å; R258-P300 WeakPolarHBondContact O-CD 3.3Å; R258-V438 CarbonylContact C-O 3.56Å; R258-V438 WeakPolarHBondContact CA-O 2.96Å; R258-V438 HydrophobicContact CG-CB 4.06Å; R258-V438 HydrophobicContact CG-CG2 4.33Å
259	N	95.5	Very high	94.4	Very high	20 Å²	20	45.3 Å²	45.3	11%	0.107	23%	0.229	C	C	.	.			trans	-68.8	-8.4	-176.5	74.8	4.1	0	0	0	115	Y257 R346 E347 E421 Q437 V438 T440	Y257-N259 PolarHBondContact O-N 3.43Å; N259-R346 CarbonylContact O-C 3.57Å; N259-R346 WeakPolarHBondContact O-CA 3.46Å; N259-E347 WeakPolarHBondContact CB-O 3.42Å; N259-E347 PolarHBondContact O-N 3.22Å; N259-E421 PolarHBondContact ND2-OE2 3.43Å; N259-E421 VanDerWaalsContact ND2-OE2 3.08Å; N259-Q437 PolarHBondContact ND2-O 2.95Å; N259-V438 VanDerWaalsContact CG-O 3.28Å; N259-V438 PolarHBondContact N-O 3.24Å; N259-V438 WeakPolarHBondContact OD1-CA 3.48Å; N259-V438 PolarHBondContact OD1-O 3.22Å; N259-V438 VanDerWaalsContact OD1-O 3.13Å; N259-T440 PolarHBondContact ND2-OG1 2.65Å; N259-T440 VanDerWaalsContact ND2-OG1 3.14Å
260	K	95.8	Very high	93.5	Very high	39 Å²	39	47.9 Å²	47.9	17%	0.17	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	126.5	175	179.7	-170.2	175.3	-159.8	0	111.6	R258 E262 L344 I345 R346 V438	R258-K260 WeakPolarHBondContact CG-O 3.3Å; R258-K260 PolarHBondContact NE-O 3.1Å; R258-K260 PolarHBondContact O-N 2.92Å; R258-K260 VanDerWaalsContact O-N 3.13Å; K260-E262 VanDerWaalsContact CE-OE1 3.23Å; K260-E262 WeakPolarHBondContact CE-OE1 3.41Å; K260-E262 IonicContact NZ-OE1 3.68Å; K260-E262 PolarHBondContact NZ-OE1 2.96Å; K260-L344 HydrophobicContact CD-CD1 4.26Å; K260-L344 HydrophobicContact CG-CD1 3.9Å; K260-I345 WeakPolarHBondContact CA-O 3.35Å; K260-R346 HydrophobicContact CB-CG 4.27Å; K260-R346 HydrophobicContact CG-CG 4.01Å; K260-V438 HydrophobicContact CB-CG1 4.25Å
261	S	95	Very high	92.6	Very high	1 Å²	1	47.3 Å²	47.3	1%	0.007	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	141.5	174.5	-65.2	0	0	0	0	112.4	I345	S261-I345 PolarHBondContact N-O 2.88Å; S261-I345 PolarHBondContact O-N 2.89Å
262	E	94.4	Very high	92	Very high	126 Å²	126	49.2 Å²	49.2	59%	0.589	26%	0.262	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.7	112.6	173.8	-72.2	173.2	-152.3	0	0	107.8	K260 V343 L344	K260-E262 VanDerWaalsContact CE-OE1 3.23Å; K260-E262 WeakPolarHBondContact CE-OE1 3.41Å; K260-E262 IonicContact NZ-OE1 3.68Å; K260-E262 PolarHBondContact NZ-OE1 2.96Å; E262-V343 WeakPolarHBondContact CA-O 3.37Å; E262-L344 HydrophobicContact CG-CD1 3.67Å
263	L	95.5	Very high	91.5	Very high	1 Å²	1	47.1 Å²	47.1	1%	0.005	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	155.6	-175.8	-54.4	175.6	0	0	0	109.8	I276 G277 F278 F293 M299 I307 H342 V343	L263-I276 HydrophobicContact CB-CG2 3.78Å; L263-I276 HydrophobicContact CD1-CG2 3.73Å; L263-I276 HydrophobicContact CG-CG2 4.4Å; L263-G277 CarbonylContact C-O 3.57Å; L263-G277 WeakPolarHBondContact CA-O 3.44Å; L263-F278 HydrophobicContact CD2-CD1 4.17Å; L263-F278 HydrophobicContact CD2-CD2 4.17Å; L263-F278 HydrophobicContact CD2-CE1 3.55Å; L263-F278 HydrophobicContact CD2-CE2 3.54Å; L263-F278 HydrophobicContact CD2-CG 4.45Å; L263-F278 HydrophobicContact CD2-CZ 3.19Å; L263-F293 HydrophobicContact CD1-CB 4.44Å; L263-M299 HydrophobicContact CD1-CE 4.29Å; L263-M299 HydrophobicContact CD2-SD 4.31Å; L263-I307 HydrophobicContact CD1-CD1 3.46Å; L263-I307 VanDerWaalsContact CD1-CD1 3.46Å; L263-I307 HydrophobicContact CD1-CG1 4.1Å; L263-I307 HydrophobicContact CD1-CG2 4.12Å; L263-H342 CarbonylContact O-C 3.53Å; L263-H342 WeakPolarHBondContact O-CA 3.22Å; L263-H342 WeakPolarHBondContact O-CB 3.41Å; L263-V343 HydrophobicContact CB-CB 4.37Å; L263-V343 PolarHBondContact N-O 3.16Å; L263-V343 PolarHBondContact O-N 3.25Å
264	T	94.8	Very high	91.4	Very high	20 Å²	20	44.6 Å²	44.6	12%	0.123	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	145.7	174.3	-57.5	0	0	0	0	109.2	G277 R279 V290 H342	T264-G277 PolarHBondContact N-O 3.12Å; T264-G277 PolarHBondContact O-N 3.13Å; T264-R279 HydrophobicContact CG2-CG 4.26Å; T264-V290 HydrophobicContact CG2-CG2 3.88Å; T264-V290 WeakPolarHBondContact O-CG1 3.41Å; T264-H342 PolarHBondContact OG1-ND1 3.4Å
265	V	95.9	Very high	91.4	Very high	3 Å²	3	41 Å²	41	2%	0.018	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	133.1	168.5	-168.8	0	0	0	0	108.4	P274 V275 I276 L314 A330 W340 R341 V343	V265-P274 HydrophobicContact CG1-CB 4.01Å; V265-V275 VanDerWaalsContact CA-O 3.31Å; V265-V275 WeakPolarHBondContact CA-O 3.26Å; V265-I276 HydrophobicContact CG2-CG1 4.19Å; V265-L314 HydrophobicContact CG1-CD1 3.87Å; V265-L314 HydrophobicContact CG2-CD1 4.07Å; V265-A330 HydrophobicContact CG1-CB 4.23Å; V265-W340 HydrophobicContact CB-CB 3.8Å; V265-W340 HydrophobicContact CG1-CB 3.62Å; V265-W340 HydrophobicContact CG1-CG 4.45Å; V265-W340 HydrophobicContact CG2-CB 4.09Å; V265-R341 PolarHBondContact N-O 2.81Å; V265-V343 HydrophobicContact CG2-CG2 4.05Å
266	G	93.5	Very high	91.5	Very high	7 Å²	7	38.1 Å²	38.1	7%	0.072	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-170.1	-167.7	-176.5	0	0	0	0	0	112.3	P274 V275	G266-P274 CarbonylContact O-C 2.99Å; G266-V275 PolarHBondContact N-O 2.83Å; G266-V275 PolarHBondContact O-N 2.83Å
267	Y	90.6	Very high	91.5	Very high	78 Å²	78	33.8 Å²	33.8	31%	0.306	19%	0.187	S	C	.	.			trans	-101.7	145.4	172.6	-73.9	-90.4	0	0	0	109.7	G271 S272 A289 V290 F318 D329 A330	Y267-G271 VanDerWaalsContact CD1-O 3.29Å; Y267-G271 WeakPolarHBondContact CD1-O 3.25Å; Y267-S272 CarbonylContact C-O 3.59Å; Y267-S272 WeakPolarHBondContact CA-O 3.43Å; Y267-A289 CarbonylContact O-C 3.58Å; Y267-A289 WeakPolarHBondContact O-CA 3.29Å; Y267-V290 PolarHBondContact O-N 3.37Å; Y267-F318 WeakPolarHBondContact OH-CE2 3.3Å; Y267-D329 WeakPolarHBondContact CE2-OD1 3.09Å; Y267-D329 PolarHBondContact OH-OD1 3Å; Y267-D329 PolarHBondContact OH-OD2 3.4Å; Y267-A330 HydrophobicContact CD2-CB 4.17Å; Y267-A330 HydrophobicContact CE2-CB 4.01Å
268	D	88.6	Confident	91.4	Very high	12 Å²	12	34.9 Å²	34.9	6%	0.064	19%	0.192	C	C	.	.			trans	-75.7	175.9	174.7	-147.8	-28.5	0	0	0	111.1	H177 D270 G271 S272 V275 Y280 V290	H177-D268 IonicContact NE2-OD2 3.98Å; D268-D270 VanDerWaalsContact C-N 3.26Å; D268-D270 PolarHBondContact O-N 3.46Å; D268-G271 PolarHBondContact O-N 3.3Å; D268-S272 WeakPolarHBondContact CB-OG 3.28Å; D268-S272 PolarHBondContact N-O 3.27Å; D268-V275 HydrophobicContact CB-CG2 4.46Å; D268-Y280 VanDerWaalsContact OD1-CE2 3.24Å; D268-Y280 WeakPolarHBondContact OD1-CE2 3.19Å; D268-Y280 PolarHBondContact OD1-OH 3.14Å; D268-V290 VanDerWaalsContact CA-O 3.3Å; D268-V290 WeakPolarHBondContact CA-O 3.11Å
269	M	80.2	Confident	91.2	Very high	83 Å²	83	34.7 Å²	34.7	41%	0.409	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-25.4	-175.4	-69.4	-168.3	53.5	0	0	113.8	V171 A176 G271 Y280 A289	V171-M269 HydrophobicContact CG1-CB 3.83Å; V171-M269 HydrophobicContact CG1-CE 4.05Å; A176-M269 HydrophobicContact CB-CE 4.43Å; A176-M269 HydrophobicContact CB-SD 3.51Å; A176-M269 VanDerWaalsContact CB-SD 3.51Å; M269-G271 VanDerWaalsContact C-N 3.25Å; M269-Y280 HydrophobicContact CG-CD2 3.81Å; M269-Y280 HydrophobicContact CG-CE1 4.5Å; M269-Y280 HydrophobicContact CG-CE2 3.55Å; M269-Y280 HydrophobicContact CG-CG 4.37Å; M269-Y280 HydrophobicContact SD-CD1 4.01Å; M269-Y280 HydrophobicContact SD-CD2 4.1Å; M269-Y280 HydrophobicContact SD-CE1 4.06Å; M269-Y280 HydrophobicContact SD-CE2 4.11Å; M269-Y280 HydrophobicContact SD-CG 4.04Å; M269-A289 HydrophobicContact CG-CB 3.87Å
270	D	79.5	Confident	90.6	Very high	91 Å²	91	35 Å²	35	49%	0.487	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-1.7	173.4	68.1	-13.5	0	0	0	112.9	D268 S272	D268-D270 VanDerWaalsContact C-N 3.26Å; D268-D270 PolarHBondContact O-N 3.46Å; D270-S272 VanDerWaalsContact C-N 3.33Å; D270-S272 WeakPolarHBondContact OD1-CB 3.4Å; D270-S272 PolarHBondContact OD1-N 3.31Å; D270-S272 PolarHBondContact OD1-OG 3.13Å; D270-S272 PolarHBondContact OD2-OG 3.32Å
271	G	79.3	Confident	89.8	Confident	48 Å²	48	34.9 Å²	34.9	50%	0.495	20%	0.195	S	C	.	.	S	Bend	trans	83	5.7	-175.7	0	0	0	0	0	114.1	Y267 D268 M269	Y267-G271 VanDerWaalsContact CD1-O 3.29Å; Y267-G271 WeakPolarHBondContact CD1-O 3.25Å; D268-G271 PolarHBondContact O-N 3.3Å; M269-G271 VanDerWaalsContact C-N 3.25Å
272	S	85.6	Confident	89.1	Confident	48 Å²	48	42.3 Å²	42.3	34%	0.336	23%	0.227	S	C	.	.			trans	-70.7	141.7	172.3	67	0	0	0	0	111.3	Y267 D268 D270	Y267-S272 CarbonylContact C-O 3.59Å; Y267-S272 WeakPolarHBondContact CA-O 3.43Å; D268-S272 WeakPolarHBondContact CB-OG 3.28Å; D268-S272 PolarHBondContact N-O 3.27Å; D270-S272 VanDerWaalsContact C-N 3.33Å; D270-S272 WeakPolarHBondContact OD1-CB 3.4Å; D270-S272 PolarHBondContact OD1-N 3.31Å; D270-S272 PolarHBondContact OD1-OG 3.13Å; D270-S272 PolarHBondContact OD2-OG 3.32Å
273	G	86.3	Confident	88.2	Confident	29 Å²	29	39 Å²	39	30%	0.299	21%	0.209	S	C	.	.			trans	166.2	-178.8	179.2	0	0	0	0	0	113.8
274	P	94.3	Very high	87	Confident	2 Å²	2	45.3 Å²	45.3	1%	0.013	24%	0.237	C	C	.	.	S	Bend	cis	-67.6	137.1	-0.5	28	-35.9	0	0	0	112.9	V265 G266 Q311 L314 F318 A330	V265-P274 HydrophobicContact CG1-CB 4.01Å; G266-P274 CarbonylContact O-C 2.99Å; P274-Q311 PolarHBondContact O-NE2 3.15Å; P274-L314 HydrophobicContact CG-CB 4.42Å; P274-F318 HydrophobicContact CG-CB 3.98Å; P274-F318 HydrophobicContact CG-CG 4.3Å; P274-A330 HydrophobicContact CB-CB 4.03Å
275	V	94.3	Very high	85.6	Confident	16 Å²	16	45.8 Å²	45.8	10%	0.097	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	136.5	177.8	-178.7	0	0	0	0	110.3	V265 G266 D268	V265-V275 VanDerWaalsContact CA-O 3.31Å; V265-V275 WeakPolarHBondContact CA-O 3.26Å; G266-V275 PolarHBondContact N-O 2.83Å; G266-V275 PolarHBondContact O-N 2.83Å; D268-V275 HydrophobicContact CB-CG2 4.46Å
276	I	96.9	Very high	84.4	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	128.9	168.9	-50	177.3	0	0	0	109	L263 V265 F293 I307 L310 Q311 L314 V343	L263-I276 HydrophobicContact CB-CG2 3.78Å; L263-I276 HydrophobicContact CD1-CG2 3.73Å; L263-I276 HydrophobicContact CG-CG2 4.4Å; V265-I276 HydrophobicContact CG2-CG1 4.19Å; I276-F293 WeakPolarHBondContact O-CD1 3.44Å; I276-F293 PolarHBondContact O-N 3.17Å; I276-I307 HydrophobicContact CB-CG2 4.1Å; I276-I307 HydrophobicContact CD1-CG2 4.07Å; I276-I307 HydrophobicContact CG2-CG2 3.82Å; I276-L310 HydrophobicContact CD1-CB 4.08Å; I276-L310 HydrophobicContact CD1-CD2 3.98Å; I276-L310 HydrophobicContact CD1-CG 3.83Å; I276-Q311 HydrophobicContact CD1-CB 4.09Å; I276-L314 HydrophobicContact CD1-CD1 3.72Å; I276-L314 HydrophobicContact CD1-CG 4.44Å; I276-L314 HydrophobicContact CG1-CD1 3.71Å; I276-V343 HydrophobicContact CD1-CG2 4.4Å; I276-V343 HydrophobicContact CG2-CB 4.44Å; I276-V343 HydrophobicContact CG2-CG2 4.11Å
277	G	94.9	Very high	83.6	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	170	-137.2	175.3	0	0	0	0	0	114.4	L263 T264 G291	L263-G277 CarbonylContact C-O 3.57Å; L263-G277 WeakPolarHBondContact CA-O 3.44Å; T264-G277 PolarHBondContact N-O 3.12Å; T264-G277 PolarHBondContact O-N 3.13Å; G277-G291 CarbonylContact C-O 3.46Å; G277-G291 VanDerWaalsContact CA-O 3.31Å; G277-G291 WeakPolarHBondContact CA-O 3.09Å
278	F	93.1	Very high	83.2	Confident	33 Å²	33	44.9 Å²	44.9	15%	0.145	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	145.4	-173.2	-61.8	-82.7	0	0	0	111.8	L180 I184 L263 V290 G291 W296 F298 M299	L180-F278 HydrophobicContact CD1-CB 3.99Å; L180-F278 HydrophobicContact CD2-CB 4.35Å; I184-F278 HydrophobicContact CD1-CB 3.51Å; I184-F278 HydrophobicContact CD1-CD1 4.04Å; I184-F278 HydrophobicContact CD1-CD2 3.68Å; I184-F278 HydrophobicContact CD1-CE2 4.4Å; I184-F278 HydrophobicContact CD1-CG 3.47Å; I184-F278 VanDerWaalsContact CD1-CG 3.47Å; L263-F278 HydrophobicContact CD2-CD1 4.17Å; L263-F278 HydrophobicContact CD2-CD2 4.17Å; L263-F278 HydrophobicContact CD2-CE1 3.55Å; L263-F278 HydrophobicContact CD2-CE2 3.54Å; L263-F278 HydrophobicContact CD2-CG 4.45Å; L263-F278 HydrophobicContact CD2-CZ 3.19Å; F278-V290 CarbonylContact O-C 3.56Å; F278-V290 WeakPolarHBondContact O-CA 3.42Å; F278-G291 PolarHBondContact N-O 3.12Å; F278-G291 PolarHBondContact O-N 3.42Å; F278-W296 AromaticContact CD2-CD1 3.84Å; F278-W296 AromaticContact CD2-NE1 3.62Å; F278-W296 AromaticContact CE2-CD1 3.61Å; F278-W296 HydrophobicContact CE2-CG 4.25Å; F278-W296 AromaticContact CE2-NE1 3.9Å; F278-F298 AromaticContact CE2-CZ 3.85Å; F278-F298 HydrophobicContact CE2-CZ 3.85Å; F278-F298 HydrophobicContact CZ-CE2 4.12Å; F278-F298 AromaticContact CZ-CZ 3.59Å; F278-F298 HydrophobicContact CZ-CZ 3.59Å; F278-M299 HydrophobicContact CZ-SD 4.43Å
279	R	90.7	Very high	83.2	Confident	71 Å²	71	45 Å²	45	27%	0.268	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	133	175.5	-72.5	-173.2	168.5	176.3	2.7	111.5	L180 T264 S281 A289 V290	L180-R279 WeakPolarHBondContact CD1-O 3.29Å; T264-R279 HydrophobicContact CG2-CG 4.26Å; R279-S281 WeakPolarHBondContact CB-O 3.36Å; R279-S281 PolarHBondContact O-N 3.25Å; R279-A289 WeakPolarHBondContact CA-O 3.42Å; R279-V290 HydrophobicContact CG-CG2 4.05Å
280	Y	83.9	Confident	83.7	Confident	27 Å²	27	41 Å²	41	11%	0.106	23%	0.234	C	C	.	.	S	Bend	trans	-58.5	-27.7	171.7	-67.8	-83.3	0	0	0	113.4	A176 H177 L180 D268 M269 A289 G291	A176-Y280 HydrophobicContact CB-CD1 4.46Å; A176-Y280 HydrophobicContact CB-CE1 3.78Å; A176-Y280 VanDerWaalsContact O-CE1 3.26Å; A176-Y280 WeakPolarHBondContact O-CE1 3.37Å; H177-Y280 PolarHBondContact CD2-OH 2.9Å; H177-Y280 PolarHBondContact NE2-OH 2.93Å; L180-Y280 HydrophobicContact CB-CD1 3.67Å; L180-Y280 HydrophobicContact CB-CE1 3.76Å; L180-Y280 HydrophobicContact CD1-CD1 4.35Å; L180-Y280 HydrophobicContact CD2-CD1 4.22Å; L180-Y280 HydrophobicContact CD2-CE1 3.95Å; L180-Y280 HydrophobicContact CG-CD1 4.31Å; L180-Y280 HydrophobicContact CG-CE1 4.4Å; D268-Y280 VanDerWaalsContact OD1-CE2 3.24Å; D268-Y280 WeakPolarHBondContact OD1-CE2 3.19Å; D268-Y280 PolarHBondContact OD1-OH 3.14Å; M269-Y280 HydrophobicContact CG-CD2 3.81Å; M269-Y280 HydrophobicContact CG-CE1 4.5Å; M269-Y280 HydrophobicContact CG-CE2 3.55Å; M269-Y280 HydrophobicContact CG-CG 4.37Å; M269-Y280 HydrophobicContact SD-CD1 4.01Å; M269-Y280 HydrophobicContact SD-CD2 4.1Å; M269-Y280 HydrophobicContact SD-CE1 4.06Å; M269-Y280 HydrophobicContact SD-CE2 4.11Å; M269-Y280 HydrophobicContact SD-CG 4.04Å; Y280-A289 HydrophobicContact CD2-CB 3.75Å; Y280-A289 WeakPolarHBondContact CD2-O 3.3Å; Y280-A289 HydrophobicContact CE2-CB 4.15Å; Y280-A289 PolarHBondContact N-O 2.9Å; Y280-G291 WeakPolarHBondContact OH-CA 3.27Å
281	S	78.6	Confident	84.2	Confident	36 Å²	36	36.7 Å²	36.7	25%	0.252	21%	0.21	S	C	.	.	S	Bend	trans	-151.9	166.7	178.7	74.8	0	0	0	0	112.7	R279 S287	R279-S281 WeakPolarHBondContact CB-O 3.36Å; R279-S281 PolarHBondContact O-N 3.25Å; S281-S287 PolarHBondContact OG-O 2.86Å
282	K	80.3	Confident	84.6	Confident	157 Å²	157	35.4 Å²	35.4	68%	0.683	19%	0.194	S	C	*	.			trans	-65.2	153	167	-63.4	177.5	-178.2	173.6	0	108.7	K284 G285	K282-K284 HydrophobicContact CB-CG 4.16Å; K282-K284 PolarHBondContact O-N 2.87Å; K282-K284 VanDerWaalsContact O-N 3.09Å; K282-G285 VanDerWaalsContact O-CA 3.29Å; K282-G285 WeakPolarHBondContact O-CA 3.49Å; K282-G285 PolarHBondContact O-N 2.89Å
283	Y	74.6	Confident	84.7	Confident	56 Å²	56	33.1 Å²	33.1	22%	0.22	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-48.7	-43.1	178.4	-171.3	-95.2	0	0	0	113.7	D142 P143 L144 G285 G286 V288 P333	D142-Y283 PolarHBondContact OD2-OH 3.21Å; P143-Y283 HydrophobicContact CG-CD1 4.16Å; P143-Y283 HydrophobicContact CG-CE1 4.25Å; L144-Y283 HydrophobicContact CB-CD1 3.91Å; L144-Y283 HydrophobicContact CB-CE1 3.5Å; L144-Y283 HydrophobicContact CB-CE2 4.2Å; L144-Y283 HydrophobicContact CB-CG 4.41Å; L144-Y283 HydrophobicContact CD1-CD2 3.8Å; L144-Y283 HydrophobicContact CD1-CE1 4.44Å; L144-Y283 HydrophobicContact CD1-CE2 3.64Å; L144-Y283 HydrophobicContact CD1-CG 4.29Å; L144-Y283 HydrophobicContact CG-CE2 4.49Å; Y283-G285 PolarHBondContact O-N 3.47Å; Y283-G286 PolarHBondContact O-N 3.1Å; Y283-G286 VanDerWaalsContact O-N 3.17Å; Y283-V288 HydrophobicContact CD2-CG1 3.7Å; Y283-V288 HydrophobicContact CE2-CG1 3.9Å; Y283-P333 HydrophobicContact CD2-CG 4.3Å; Y283-P333 HydrophobicContact CE2-CB 3.97Å; Y283-P333 HydrophobicContact CE2-CG 3.85Å
284	K	70.2	Confident	84.4	Confident	134 Å²	134	38.2 Å²	38.2	58%	0.583	19%	0.192	S	C	*	.	G	3₁₀ helix	trans	-66.4	-4.2	175	67.9	173.3	-174.7	172.5	0	115.5	P143 R147 K282 G286	P143-K284 HydrophobicContact CB-CB 4.19Å; R147-K284 WeakPolarHBondContact CD-O 3.3Å; R147-K284 PolarHBondContact NH1-O 2.84Å; R147-K284 VanDerWaalsContact NH1-O 3.08Å; K282-K284 HydrophobicContact CB-CG 4.16Å; K282-K284 PolarHBondContact O-N 2.87Å; K282-K284 VanDerWaalsContact O-N 3.09Å; K284-G286 VanDerWaalsContact C-N 3.34Å
285	G	66.6	Low	83.4	Confident	30 Å²	30	40.8 Å²	40.8	31%	0.309	21%	0.21	S	C	.	.	G	3₁₀ helix	trans	-82.7	-11.2	174.7	0	0	0	0	0	112.9	R147 K282 Y283	R147-G285 WeakPolarHBondContact CD-O 3.46Å; K282-G285 VanDerWaalsContact O-CA 3.29Å; K282-G285 WeakPolarHBondContact O-CA 3.49Å; K282-G285 PolarHBondContact O-N 2.89Å; Y283-G285 PolarHBondContact O-N 3.47Å
286	G	69.6	Low	82.6	Confident	12 Å²	12	40.5 Å²	40.5	12%	0.124	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	95	-5.7	177.4	0	0	0	0	0	114.3	R148 Y283 K284	R148-G286 WeakPolarHBondContact CG-O 3.44Å; R148-G286 PolarHBondContact NE-O 3.5Å; Y283-G286 PolarHBondContact O-N 3.1Å; Y283-G286 VanDerWaalsContact O-N 3.17Å; K284-G286 VanDerWaalsContact C-N 3.34Å
287	S	77.6	Confident	82.1	Confident	33 Å²	33	43.5 Å²	43.5	23%	0.231	22%	0.223	C	C	.	.			trans	-123.5	142.6	177.6	-178.4	0	0	0	0	112.1	S281 A289	S281-S287 PolarHBondContact OG-O 2.86Å; S287-A289 WeakPolarHBondContact OG-CB 3.27Å; S287-A289 PolarHBondContact OG-N 3.26Å; S287-A289 VanDerWaalsContact OG-N 3.11Å
288	V	83	Confident	81.9	Confident	24 Å²	24	43.7 Å²	43.7	15%	0.145	22%	0.224	C	C	.	.			trans	-113.7	5.5	169.8	-73.4	0	0	0	0	111.7	L144 Y283 P333	L144-V288 HydrophobicContact CD1-CB 4.47Å; L144-V288 HydrophobicContact CD1-CG1 3.41Å; L144-V288 VanDerWaalsContact CD1-CG1 3.41Å; Y283-V288 HydrophobicContact CD2-CG1 3.7Å; Y283-V288 HydrophobicContact CE2-CG1 3.9Å; V288-P333 HydrophobicContact CB-CG 4.24Å; V288-P333 HydrophobicContact CG1-CG 3.55Å
289	A	86.8	Confident	81.9	Confident	14 Å²	14	42.1 Å²	42.1	12%	0.116	22%	0.217	C	C	.	.			trans	-61	148	-178.5	0	0	0	0	0	111.1	Y267 M269 R279 Y280 S287	Y267-A289 CarbonylContact O-C 3.58Å; Y267-A289 WeakPolarHBondContact O-CA 3.29Å; M269-A289 HydrophobicContact CG-CB 3.87Å; R279-A289 WeakPolarHBondContact CA-O 3.42Å; Y280-A289 HydrophobicContact CD2-CB 3.75Å; Y280-A289 WeakPolarHBondContact CD2-O 3.3Å; Y280-A289 HydrophobicContact CE2-CB 4.15Å; Y280-A289 PolarHBondContact N-O 2.9Å; S287-A289 WeakPolarHBondContact OG-CB 3.27Å; S287-A289 PolarHBondContact OG-N 3.26Å; S287-A289 VanDerWaalsContact OG-N 3.11Å
290	V	91.1	Very high	82.1	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	118.1	-175.6	175.9	0	0	0	0	108.7	T264 Y267 D268 F278 R279	T264-V290 HydrophobicContact CG2-CG2 3.88Å; T264-V290 WeakPolarHBondContact O-CG1 3.41Å; Y267-V290 PolarHBondContact O-N 3.37Å; D268-V290 VanDerWaalsContact CA-O 3.3Å; D268-V290 WeakPolarHBondContact CA-O 3.11Å; F278-V290 CarbonylContact O-C 3.56Å; F278-V290 WeakPolarHBondContact O-CA 3.42Å; R279-V290 HydrophobicContact CG-CG2 4.05Å
291	G	89.5	Confident	82.5	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	147.3	172.6	0	0	0	0	0	110.9	G277 F278 Y280	G277-G291 CarbonylContact C-O 3.46Å; G277-G291 VanDerWaalsContact CA-O 3.31Å; G277-G291 WeakPolarHBondContact CA-O 3.09Å; F278-G291 PolarHBondContact N-O 3.12Å; F278-G291 PolarHBondContact O-N 3.42Å; Y280-G291 WeakPolarHBondContact OH-CA 3.27Å
292	S	89.6	Confident	83.2	Confident	21 Å²	21	46.6 Å²	46.6	15%	0.147	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.6	148.1	-174.2	-169.4	0	0	0	0	114	K294 W296	S292-K294 PolarHBondContact O-N 3.43Å; S292-K294 PolarHBondContact OG-N 3.07Å; S292-W296 PolarHBondContact O-NE1 3.15Å
293	F	85.9	Confident	83.9	Confident	1 Å²	1	39.2 Å²	39.2	0%	0.004	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-72.7	-12	172.6	77.9	-81.4	0	0	0	114.1	L263 I276 S295 W296 N304 I307 N308	L263-F293 HydrophobicContact CD1-CB 4.44Å; I276-F293 WeakPolarHBondContact O-CD1 3.44Å; I276-F293 PolarHBondContact O-N 3.17Å; F293-S295 VanDerWaalsContact C-N 3.27Å; F293-S295 PolarHBondContact O-N 3.31Å; F293-W296 VanDerWaalsContact CA-CD1 3.43Å; F293-W296 PolarHBondContact O-N 3.12Å; F293-N304 WeakPolarHBondContact CD2-OD1 3.37Å; F293-N304 HydrophobicContact CE2-CB 4.2Å; F293-I307 HydrophobicContact CD1-CG2 3.57Å; F293-I307 HydrophobicContact CD2-CB 4.29Å; F293-I307 HydrophobicContact CD2-CD1 4.35Å; F293-I307 HydrophobicContact CD2-CG2 4.05Å; F293-I307 HydrophobicContact CE1-CB 4.18Å; F293-I307 HydrophobicContact CE1-CG2 3.39Å; F293-I307 HydrophobicContact CE2-CB 3.86Å; F293-I307 HydrophobicContact CE2-CG2 3.88Å; F293-I307 HydrophobicContact CG-CG2 3.89Å; F293-I307 HydrophobicContact CZ-CB 3.76Å; F293-I307 HydrophobicContact CZ-CG2 3.51Å; F293-N308 HydrophobicContact CZ-CB 4.29Å; F293-N308 VanDerWaalsContact CZ-OD1 3.26Å; F293-N308 WeakPolarHBondContact CZ-OD1 3.37Å
294	K	81	Confident	84.9	Confident	135 Å²	135	38.1 Å²	38.1	59%	0.587	20%	0.199	S	C	*	.	G	3₁₀ helix	trans	-68.4	-22.6	-168.8	-68.9	178.7	178.4	179.1	0	114.4	S292 W296 N308	S292-K294 PolarHBondContact O-N 3.43Å; S292-K294 PolarHBondContact OG-N 3.07Å; K294-W296 VanDerWaalsContact C-N 3.26Å; K294-W296 PolarHBondContact O-N 3.36Å; K294-N308 WeakPolarHBondContact CE-OD1 3.14Å
295	S	73.9	Confident	86	Confident	57 Å²	57	37 Å²	37	40%	0.399	19%	0.194	S	C	.	.	G	3₁₀ helix	trans	-83.9	6.7	-175.8	-51.5	0	0	0	0	114	F293	F293-S295 VanDerWaalsContact C-N 3.27Å; F293-S295 PolarHBondContact O-N 3.31Å
296	W	77.9	Confident	87.5	Confident	9 Å²	9	35.6 Å²	35.6	3%	0.034	18%	0.179	C	C	.	.			trans	-113.7	126.5	-169.9	-46.9	111.3	0	0	0	113.2	L180 R181 I184 L185 F278 S292 F293 K294 F298	L180-W296 HydrophobicContact CB-CH2 4.29Å; L180-W296 HydrophobicContact CB-CZ2 4.36Å; L180-W296 HydrophobicContact CD2-CH2 4.42Å; L180-W296 HydrophobicContact CD2-CZ2 3.71Å; L180-W296 HydrophobicContact CG-CH2 3.93Å; L180-W296 HydrophobicContact CG-CZ2 3.69Å; R181-W296 HydrophobicContact CB-CH2 3.4Å; R181-W296 VanDerWaalsContact CB-CH2 3.4Å; R181-W296 HydrophobicContact CB-CZ3 3.39Å; R181-W296 HydrophobicContact CG-CE3 4.38Å; R181-W296 HydrophobicContact CG-CH2 4.02Å; R181-W296 HydrophobicContact CG-CZ3 3.44Å; R181-W296 VanDerWaalsContact CG-CZ3 3.44Å; I184-W296 HydrophobicContact CB-CZ3 4.49Å; I184-W296 HydrophobicContact CD1-CH2 3.89Å; I184-W296 HydrophobicContact CD1-CZ2 3.89Å; I184-W296 HydrophobicContact CD1-CZ3 4.22Å; L185-W296 HydrophobicContact CD1-CE3 3.84Å; L185-W296 HydrophobicContact CD1-CZ3 4.19Å; F278-W296 AromaticContact CD2-CD1 3.84Å; F278-W296 AromaticContact CD2-NE1 3.62Å; F278-W296 AromaticContact CE2-CD1 3.61Å; F278-W296 HydrophobicContact CE2-CG 4.25Å; F278-W296 AromaticContact CE2-NE1 3.9Å; S292-W296 PolarHBondContact O-NE1 3.15Å; F293-W296 VanDerWaalsContact CA-CD1 3.43Å; F293-W296 PolarHBondContact O-N 3.12Å; K294-W296 VanDerWaalsContact C-N 3.26Å; K294-W296 PolarHBondContact O-N 3.36Å; W296-F298 HydrophobicContact CB-CD1 3.93Å; W296-F298 HydrophobicContact CB-CE1 3.57Å; W296-F298 HydrophobicContact CB-CZ 4.1Å; W296-F298 HydrophobicContact CD2-CE1 4.12Å; W296-F298 HydrophobicContact CE3-CE1 4.03Å; W296-F298 AromaticContact CG-CE1 3.87Å; W296-F298 HydrophobicContact CG-CE1 3.87Å; W296-F298 HydrophobicContact CG-CZ 4.31Å
297	N	85.4	Confident	88.8	Confident	63 Å²	63	35.1 Å²	35.1	34%	0.337	17%	0.174	S	C	.	.	S	Bend	trans	-99.1	3.8	-179.3	69.4	-1.5	0	0	0	114.2	T255 E256 Q617	T255-N297 CarbonylContact C-O 3.6Å; T255-N297 WeakPolarHBondContact CA-O 3.32Å; T255-N297 WeakPolarHBondContact CB-O 3.28Å; T255-N297 HydrophobicContact CG2-CB 4.31Å; E256-N297 PolarHBondContact N-O 3.42Å; N297-Q617 PolarHBondContact OD1-NE2 3.32Å
298	F	90.9	Very high	89.7	Confident	5 Å²	5	35.8 Å²	35.8	2%	0.022	18%	0.175	C	C	.	.	S	Bend	trans	-84.8	-20.3	177.5	61.7	-99.7	0	0	0	113.1	I184 L185 E256 Y257 R258 F278 W296	I184-F298 HydrophobicContact CG2-CE1 4.01Å; I184-F298 HydrophobicContact CG2-CZ 4.21Å; L185-F298 HydrophobicContact CD1-CD1 3.56Å; L185-F298 HydrophobicContact CD1-CE1 3.88Å; L185-F298 HydrophobicContact CD2-CD1 3.74Å; L185-F298 HydrophobicContact CD2-CE1 4.03Å; L185-F298 HydrophobicContact CD2-CG 4.5Å; L185-F298 HydrophobicContact CG-CD1 4.08Å; L185-F298 HydrophobicContact CG-CE1 4.16Å; E256-F298 CarbonylContact C-O 3.52Å; E256-F298 WeakPolarHBondContact CA-O 3.42Å; Y257-F298 HydrophobicContact CD1-CB 4.22Å; Y257-F298 HydrophobicContact CE1-CB 3.69Å; Y257-F298 PolarHBondContact N-O 2.89Å; R258-F298 HydrophobicContact CB-CB 4.47Å; R258-F298 HydrophobicContact CB-CD2 3.82Å; R258-F298 VanDerWaalsContact CB-O 3.24Å; R258-F298 WeakPolarHBondContact CB-O 3.21Å; R258-F298 VanDerWaalsContact CD-CD2 3.46Å; R258-F298 HydrophobicContact CG-CD2 4.26Å; R258-F298 PolarHBondContact N-O 2.81Å; F278-F298 AromaticContact CE2-CZ 3.85Å; F278-F298 HydrophobicContact CE2-CZ 3.85Å; F278-F298 HydrophobicContact CZ-CE2 4.12Å; F278-F298 AromaticContact CZ-CZ 3.59Å; F278-F298 HydrophobicContact CZ-CZ 3.59Å; W296-F298 HydrophobicContact CB-CD1 3.93Å; W296-F298 HydrophobicContact CB-CE1 3.57Å; W296-F298 HydrophobicContact CB-CZ 4.1Å; W296-F298 HydrophobicContact CD2-CE1 4.12Å; W296-F298 HydrophobicContact CE3-CE1 4.03Å; W296-F298 AromaticContact CG-CE1 3.87Å; W296-F298 HydrophobicContact CG-CE1 3.87Å; W296-F298 HydrophobicContact CG-CZ 4.31Å
299	M	93.2	Very high	90.4	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.172	C	C	.	.	S	Bend	trans	-83.2	140.4	177.7	-63.3	-171.1	58.6	0	0	110.1	L263 F278 I307 I345	L263-M299 HydrophobicContact CD1-CE 4.29Å; L263-M299 HydrophobicContact CD2-SD 4.31Å; F278-M299 HydrophobicContact CZ-SD 4.43Å; M299-I307 HydrophobicContact CE-CD1 3.25Å; M299-I307 HydrophobicContact SD-CD1 4.42Å; M299-I345 HydrophobicContact CE-CG2 3.91Å
300	P	94.3	Very high	91	Very high	9 Å²	9	34.5 Å²	34.5	6%	0.058	17%	0.167	C	C	.	.			trans	-55.8	148.4	175.8	-26.7	33.6	0	0	0	113.5	R258 N302 S303 N304 E347	R258-P300 WeakPolarHBondContact O-CD 3.3Å; P300-N302 VanDerWaalsContact C-N 3.28Å; P300-N302 PolarHBondContact O-N 2.99Å; P300-S303 WeakPolarHBondContact O-CB 3.39Å; P300-S303 PolarHBondContact O-N 3.18Å; P300-N304 PolarHBondContact O-N 3.17Å; P300-E347 WeakPolarHBondContact CB-OE2 3.48Å; P300-E347 HydrophobicContact CG-CB 4.42Å
301	R	92.4	Very high	91.3	Very high	178 Å²	178	35.4 Å²	35.4	67%	0.672	17%	0.171	S	C	*	.	H	α-helix	trans	-59.2	-37.1	177.7	-172.4	172.8	-175.8	172.5	0.9	113.1	E256 N304 K305	E256-R301 VanDerWaalsContact OE2-CB 3.28Å; E256-R301 WeakPolarHBondContact OE2-CB 3.39Å; E256-R301 PolarHBondContact OE2-N 2.8Å; R301-N304 PolarHBondContact O-N 2.95Å; R301-K305 PolarHBondContact O-N 3.19Å; R301-K305 VanDerWaalsContact O-N 3.13Å
302	N	93.6	Very high	91.6	Very high	41 Å²	41	39.7 Å²	39.7	22%	0.219	19%	0.194	C	C	.	.	H	α-helix	trans	-69	-46.4	178.3	-168.6	64.2	0	0	0	111.3	P300 N304 K305 V306 E347 T353 S388	P300-N302 VanDerWaalsContact C-N 3.28Å; P300-N302 PolarHBondContact O-N 2.99Å; N302-N304 PolarHBondContact O-N 3.11Å; N302-K305 WeakPolarHBondContact O-CA 3.44Å; N302-K305 WeakPolarHBondContact O-CB 3.48Å; N302-K305 PolarHBondContact O-N 2.71Å; N302-V306 PolarHBondContact O-N 2.86Å; N302-E347 WeakPolarHBondContact CB-OE2 3.2Å; N302-T353 PolarHBondContact ND2-OG1 3.46Å; N302-S388 PolarHBondContact OD1-O 2.96Å
303	S	95.3	Very high	92	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.007	19%	0.187	C	C	.	.	H	α-helix	trans	-50	-44.1	169.7	-68.2	0	0	0	0	112.7	P300 K305 V306 I307 E347	P300-S303 WeakPolarHBondContact O-CB 3.39Å; P300-S303 PolarHBondContact O-N 3.18Å; S303-K305 PolarHBondContact O-N 2.97Å; S303-V306 PolarHBondContact O-N 2.61Å; S303-I307 WeakPolarHBondContact O-CD1 3.47Å; S303-I307 VanDerWaalsContact O-CG1 3.24Å; S303-I307 WeakPolarHBondContact O-CG1 3.46Å; S303-I307 PolarHBondContact O-N 2.73Å; S303-E347 PolarHBondContact N-OE2 2.89Å; S303-E347 PolarHBondContact OG-OE2 2.9Å
304	N	94.5	Very high	92.6	Very high	33 Å²	33	38.7 Å²	38.7	18%	0.176	19%	0.187	C	C	.	.	H	α-helix	trans	-63.1	-38.2	175.5	-77.4	-32.4	0	0	0	113.3	F293 P300 R301 N302 N308	F293-N304 WeakPolarHBondContact CD2-OD1 3.37Å; F293-N304 HydrophobicContact CE2-CB 4.2Å; P300-N304 PolarHBondContact O-N 3.17Å; R301-N304 PolarHBondContact O-N 2.95Å; N302-N304 PolarHBondContact O-N 3.11Å; N304-N308 WeakPolarHBondContact O-CB 3.11Å; N304-N308 PolarHBondContact O-N 3.35Å; N304-N308 PolarHBondContact O-ND2 3.42Å
305	K	95	Very high	93.3	Very high	111 Å²	111	34.2 Å²	34.2	48%	0.483	17%	0.171	S	C	.	.	H	α-helix	trans	-63.9	-46.9	174.7	-69.3	178.4	-179.4	-177.5	0	111.4	R301 N302 S303 I307 N308 A309	R301-K305 PolarHBondContact O-N 3.19Å; R301-K305 VanDerWaalsContact O-N 3.13Å; N302-K305 WeakPolarHBondContact O-CA 3.44Å; N302-K305 WeakPolarHBondContact O-CB 3.48Å; N302-K305 PolarHBondContact O-N 2.71Å; S303-K305 PolarHBondContact O-N 2.97Å; K305-I307 PolarHBondContact O-N 3.23Å; K305-N308 WeakPolarHBondContact O-CB 3.15Å; K305-N308 PolarHBondContact O-N 2.97Å; K305-A309 PolarHBondContact O-N 2.99Å
306	V	97.4	Very high	94.4	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.006	15%	0.153	C	C	.	.	H	α-helix	trans	-60.4	-45.1	177.9	170	0	0	0	0	111.4	N302 S303 N308 A309 L310 I345 T353 V355 S388 L390	N302-V306 PolarHBondContact O-N 2.86Å; S303-V306 PolarHBondContact O-N 2.61Å; V306-N308 VanDerWaalsContact C-N 3.33Å; V306-N308 PolarHBondContact O-N 3.41Å; V306-A309 PolarHBondContact O-N 3.06Å; V306-L310 PolarHBondContact O-N 2.94Å; V306-I345 HydrophobicContact CB-CD1 4.02Å; V306-I345 HydrophobicContact CG1-CD1 3.85Å; V306-T353 HydrophobicContact CB-CG2 4.49Å; V306-T353 HydrophobicContact CG1-CG2 4.49Å; V306-T353 HydrophobicContact CG2-CG2 3.93Å; V306-V355 HydrophobicContact CG1-CG2 3.59Å; V306-S388 VanDerWaalsContact CG2-O 3.31Å; V306-S388 WeakPolarHBondContact CG2-O 3.44Å; V306-L390 HydrophobicContact CG1-CB 4.36Å; V306-L390 HydrophobicContact CG1-CD1 3.85Å; V306-L390 HydrophobicContact CG1-CD2 4.37Å; V306-L390 HydrophobicContact CG1-CG 4.44Å; V306-L390 HydrophobicContact CG2-CB 4.13Å
307	I	97.1	Very high	95.2	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.005	15%	0.152	C	C	.	.	H	α-helix	trans	-67.2	-35.5	178.1	-62.2	158	0	0	0	111.1	L263 I276 F293 M299 S303 K305 L310 Q311 I345	L263-I307 HydrophobicContact CD1-CD1 3.46Å; L263-I307 VanDerWaalsContact CD1-CD1 3.46Å; L263-I307 HydrophobicContact CD1-CG1 4.1Å; L263-I307 HydrophobicContact CD1-CG2 4.12Å; I276-I307 HydrophobicContact CB-CG2 4.1Å; I276-I307 HydrophobicContact CD1-CG2 4.07Å; I276-I307 HydrophobicContact CG2-CG2 3.82Å; F293-I307 HydrophobicContact CD1-CG2 3.57Å; F293-I307 HydrophobicContact CD2-CB 4.29Å; F293-I307 HydrophobicContact CD2-CD1 4.35Å; F293-I307 HydrophobicContact CD2-CG2 4.05Å; F293-I307 HydrophobicContact CE1-CB 4.18Å; F293-I307 HydrophobicContact CE1-CG2 3.39Å; F293-I307 HydrophobicContact CE2-CB 3.86Å; F293-I307 HydrophobicContact CE2-CG2 3.88Å; F293-I307 HydrophobicContact CG-CG2 3.89Å; F293-I307 HydrophobicContact CZ-CB 3.76Å; F293-I307 HydrophobicContact CZ-CG2 3.51Å; M299-I307 HydrophobicContact CE-CD1 3.25Å; M299-I307 HydrophobicContact SD-CD1 4.42Å; S303-I307 WeakPolarHBondContact O-CD1 3.47Å; S303-I307 VanDerWaalsContact O-CG1 3.24Å; S303-I307 WeakPolarHBondContact O-CG1 3.46Å; S303-I307 PolarHBondContact O-N 2.73Å; K305-I307 PolarHBondContact O-N 3.23Å; I307-L310 PolarHBondContact O-N 3.16Å; I307-Q311 VanDerWaalsContact O-CB 3.25Å; I307-Q311 WeakPolarHBondContact O-CB 3.44Å; I307-Q311 PolarHBondContact O-N 3.29Å; I307-I345 HydrophobicContact CD1-CD1 4.2Å; I307-I345 HydrophobicContact CD1-CG2 4.11Å; I307-I345 HydrophobicContact CG1-CD1 3.94Å
308	N	96.3	Very high	95.7	Very high	48 Å²	48	31.1 Å²	31.1	26%	0.257	15%	0.148	S	C	.	.	H	α-helix	trans	-62.7	-44.6	172.8	-82.5	-52.5	0	0	0	111.8	F293 K294 N304 K305 V306 L310 Q311 N312	F293-N308 HydrophobicContact CZ-CB 4.29Å; F293-N308 VanDerWaalsContact CZ-OD1 3.26Å; F293-N308 WeakPolarHBondContact CZ-OD1 3.37Å; K294-N308 WeakPolarHBondContact CE-OD1 3.14Å; N304-N308 WeakPolarHBondContact O-CB 3.11Å; N304-N308 PolarHBondContact O-N 3.35Å; N304-N308 PolarHBondContact O-ND2 3.42Å; K305-N308 WeakPolarHBondContact O-CB 3.15Å; K305-N308 PolarHBondContact O-N 2.97Å; V306-N308 VanDerWaalsContact C-N 3.33Å; V306-N308 PolarHBondContact O-N 3.41Å; N308-L310 VanDerWaalsContact C-N 3.29Å; N308-L310 PolarHBondContact O-N 2.84Å; N308-Q311 WeakPolarHBondContact O-CB 3.35Å; N308-Q311 PolarHBondContact O-N 2.87Å; N308-N312 VanDerWaalsContact O-CG 3.28Å; N308-N312 PolarHBondContact O-N 3.08Å
309	A	97.8	Very high	95.8	Very high	10 Å²	10	37.5 Å²	37.5	8%	0.083	18%	0.176	C	C	.	.	H	α-helix	trans	-61.5	-39.4	175.6	0	0	0	0	0	111.7	K305 V306 N312 F313 W379 F380	K305-A309 PolarHBondContact O-N 2.99Å; V306-A309 PolarHBondContact O-N 3.06Å; A309-N312 PolarHBondContact O-N 2.9Å; A309-F313 PolarHBondContact O-N 2.86Å; A309-F313 VanDerWaalsContact O-N 3.14Å; A309-W379 PolarHBondContact O-NE1 2.59Å; A309-F380 HydrophobicContact CB-CE1 3.8Å; A309-F380 HydrophobicContact CB-CZ 4.39Å
310	L	98.2	Very high	95.8	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.005	20%	0.198	C	C	.	.	H	α-helix	trans	-67.5	-43.4	174.5	-173.1	59.6	0	0	0	112	I276 V306 I307 N308 N312 F313 L314 V343 V355 L357 L376 F380	I276-L310 HydrophobicContact CD1-CB 4.08Å; I276-L310 HydrophobicContact CD1-CD2 3.98Å; I276-L310 HydrophobicContact CD1-CG 3.83Å; V306-L310 PolarHBondContact O-N 2.94Å; I307-L310 PolarHBondContact O-N 3.16Å; N308-L310 VanDerWaalsContact C-N 3.29Å; N308-L310 PolarHBondContact O-N 2.84Å; L310-N312 VanDerWaalsContact C-N 3.25Å; L310-N312 PolarHBondContact O-N 3.35Å; L310-F313 WeakPolarHBondContact O-CB 3.35Å; L310-F313 PolarHBondContact O-N 2.92Å; L310-F313 VanDerWaalsContact O-N 3.11Å; L310-L314 WeakPolarHBondContact O-CG 3.27Å; L310-L314 PolarHBondContact O-N 3.41Å; L310-V343 HydrophobicContact CD2-CB 4.45Å; L310-V343 HydrophobicContact CD2-CG1 3.76Å; L310-V343 HydrophobicContact CD2-CG2 3.78Å; L310-V355 HydrophobicContact CD2-CG1 4.29Å; L310-L357 HydrophobicContact CD1-CD2 4.25Å; L310-L357 HydrophobicContact CD2-CD1 4.46Å; L310-L376 HydrophobicContact CD1-CD2 4.48Å; L310-F380 HydrophobicContact CB-CZ 3.96Å; L310-F380 HydrophobicContact CD1-CE2 4.02Å; L310-F380 HydrophobicContact CD1-CZ 4.04Å
311	Q	97.4	Very high	95.8	Very high	19 Å²	19	44.8 Å²	44.8	9%	0.089	22%	0.221	C	C	.	.	H	α-helix	trans	-56.8	-41	176.2	175.4	65.5	79.2	0	0	111.4	P274 I276 I307 N308 L314 T315	P274-Q311 PolarHBondContact O-NE2 3.15Å; I276-Q311 HydrophobicContact CD1-CB 4.09Å; I307-Q311 VanDerWaalsContact O-CB 3.25Å; I307-Q311 WeakPolarHBondContact O-CB 3.44Å; I307-Q311 PolarHBondContact O-N 3.29Å; N308-Q311 WeakPolarHBondContact O-CB 3.35Å; N308-Q311 PolarHBondContact O-N 2.87Å; Q311-L314 PolarHBondContact O-N 3.31Å; Q311-T315 WeakPolarHBondContact O-CB 3.34Å; Q311-T315 PolarHBondContact O-N 3.22Å; Q311-T315 PolarHBondContact O-OG1 2.68Å
312	N	97.2	Very high	95.8	Very high	90 Å²	90	37.6 Å²	37.6	48%	0.481	20%	0.195	S	C	.	.	H	α-helix	trans	-65.7	-43.4	175.6	-68	-14.6	0	0	0	111.5	N308 A309 L310 T315 A316 W379	N308-N312 VanDerWaalsContact O-CG 3.28Å; N308-N312 PolarHBondContact O-N 3.08Å; A309-N312 PolarHBondContact O-N 2.9Å; L310-N312 VanDerWaalsContact C-N 3.25Å; L310-N312 PolarHBondContact O-N 3.35Å; N312-T315 WeakPolarHBondContact O-CB 3.41Å; N312-T315 PolarHBondContact O-N 3.02Å; N312-A316 PolarHBondContact O-N 3.26Å; N312-W379 HydrophobicContact CB-CH2 4.4Å; N312-W379 HydrophobicContact CB-CZ2 3.78Å
313	F	97.9	Very high	95.5	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-57.9	-49	174	179	-97.4	0	0	0	111.8	A309 L310 T315 A316 C317 F322 W340 L372 E375 L376 W379	A309-F313 PolarHBondContact O-N 2.86Å; A309-F313 VanDerWaalsContact O-N 3.14Å; L310-F313 WeakPolarHBondContact O-CB 3.35Å; L310-F313 PolarHBondContact O-N 2.92Å; L310-F313 VanDerWaalsContact O-N 3.11Å; F313-T315 PolarHBondContact O-N 3.37Å; F313-A316 PolarHBondContact O-N 2.76Å; F313-A316 VanDerWaalsContact O-N 3.14Å; F313-C317 WeakPolarHBondContact CE1-SG 3.32Å; F313-C317 VanDerWaalsContact CZ-SG 3.57Å; F313-C317 PolarHBondContact O-N 3.03Å; F313-C317 PolarHBondContact O-SG 3.16Å; F313-C317 VanDerWaalsContact O-SG 3.34Å; F313-F322 HydrophobicContact CD2-CE2 4.1Å; F313-F322 AromaticContact CD2-CZ 3.65Å; F313-F322 HydrophobicContact CD2-CZ 3.65Å; F313-F322 HydrophobicContact CE2-CE1 4.11Å; F313-F322 AromaticContact CE2-CE2 3.92Å; F313-F322 HydrophobicContact CE2-CE2 3.92Å; F313-F322 AromaticContact CE2-CZ 3.54Å; F313-F322 HydrophobicContact CE2-CZ 3.54Å; F313-W340 HydrophobicContact CE1-CH2 4.16Å; F313-W340 HydrophobicContact CE1-CZ2 4.49Å; F313-L372 HydrophobicContact CE1-CD1 4Å; F313-L372 HydrophobicContact CZ-CD1 3.92Å; F313-E375 HydrophobicContact CE2-CB 4.16Å; F313-E375 HydrophobicContact CZ-CB 4.25Å; F313-L376 HydrophobicContact CD1-CD2 3.6Å; F313-L376 HydrophobicContact CD2-CD2 4.5Å; F313-L376 HydrophobicContact CE1-CD2 3.27Å; F313-L376 HydrophobicContact CE1-CG 3.78Å; F313-L376 HydrophobicContact CE2-CD2 4.23Å; F313-L376 HydrophobicContact CE2-CG 4.49Å; F313-L376 HydrophobicContact CG-CD2 4.22Å; F313-L376 HydrophobicContact CZ-CD2 3.62Å; F313-L376 HydrophobicContact CZ-CG 3.73Å; F313-W379 HydrophobicContact CB-CD2 4Å; F313-W379 HydrophobicContact CB-CG 4.16Å; F313-W379 HydrophobicContact CB-CZ2 4.17Å; F313-W379 HydrophobicContact CD2-CB 3.77Å; F313-W379 AromaticContact CD2-CD2 3.63Å; F313-W379 HydrophobicContact CD2-CD2 3.63Å; F313-W379 AromaticContact CD2-CE3 3.87Å; F313-W379 HydrophobicContact CD2-CE3 3.87Å; F313-W379 AromaticContact CD2-CG 3.58Å; F313-W379 HydrophobicContact CD2-CG 3.58Å; F313-W379 HydrophobicContact CE2-CB 4.15Å; F313-W379 HydrophobicContact CE2-CG 4.43Å; F313-W379 HydrophobicContact CG-CD2 4.3Å; F313-W379 HydrophobicContact CG-CG 4.24Å
314	L	97.3	Very high	95.2	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-60.1	-37.7	178.2	-60.6	-168.6	0	0	0	112	V265 P274 I276 L310 Q311 C317 F318 W340	V265-L314 HydrophobicContact CG1-CD1 3.87Å; V265-L314 HydrophobicContact CG2-CD1 4.07Å; P274-L314 HydrophobicContact CG-CB 4.42Å; I276-L314 HydrophobicContact CD1-CD1 3.72Å; I276-L314 HydrophobicContact CD1-CG 4.44Å; I276-L314 HydrophobicContact CG1-CD1 3.71Å; L310-L314 WeakPolarHBondContact O-CG 3.27Å; L310-L314 PolarHBondContact O-N 3.41Å; Q311-L314 PolarHBondContact O-N 3.31Å; L314-C317 PolarHBondContact O-N 2.83Å; L314-F318 WeakPolarHBondContact O-CB 3.46Å; L314-F318 PolarHBondContact O-N 3.39Å; L314-W340 HydrophobicContact CD1-CG 4.31Å; L314-W340 HydrophobicContact CD2-CD2 3.47Å; L314-W340 VanDerWaalsContact CD2-CD2 3.47Å; L314-W340 VanDerWaalsContact CD2-CE2 3.45Å; L314-W340 HydrophobicContact CD2-CE3 3.75Å; L314-W340 HydrophobicContact CD2-CG 3.94Å; L314-W340 HydrophobicContact CD2-CH2 4.01Å; L314-W340 HydrophobicContact CD2-CZ2 3.7Å; L314-W340 HydrophobicContact CD2-CZ3 4.04Å
315	T	96.1	Very high	95.1	Very high	41 Å²	41	49.7 Å²	49.7	25%	0.252	25%	0.249	S	C	.	.	H	α-helix	trans	-65.9	-42.4	177	-53.7	0	0	0	0	111.2	Q311 N312 F313 F318 K319	Q311-T315 WeakPolarHBondContact O-CB 3.34Å; Q311-T315 PolarHBondContact O-N 3.22Å; Q311-T315 PolarHBondContact O-OG1 2.68Å; N312-T315 WeakPolarHBondContact O-CB 3.41Å; N312-T315 PolarHBondContact O-N 3.02Å; F313-T315 PolarHBondContact O-N 3.37Å; T315-F318 PolarHBondContact O-N 2.89Å; T315-K319 HydrophobicContact CG2-CD 4.31Å; T315-K319 WeakPolarHBondContact O-CG 3.34Å; T315-K319 PolarHBondContact O-N 3.12Å
316	A	96.5	Very high	94.8	Very high	3 Å²	3	47.1 Å²	47.1	3%	0.025	24%	0.244	C	C	.	.	H	α-helix	trans	-64.4	-40.9	175.8	0	0	0	0	0	111.8	N312 F313 F318 K319 G320 E321 F322	N312-A316 PolarHBondContact O-N 3.26Å; F313-A316 PolarHBondContact O-N 2.76Å; F313-A316 VanDerWaalsContact O-N 3.14Å; A316-F318 VanDerWaalsContact C-N 3.34Å; A316-F318 PolarHBondContact O-N 3.39Å; A316-K319 PolarHBondContact O-N 3.05Å; A316-G320 PolarHBondContact O-N 2.86Å; A316-E321 HydrophobicContact CB-CB 4.21Å; A316-E321 HydrophobicContact CB-CG 4.5Å; A316-E321 VanDerWaalsContact CB-OE2 3.26Å; A316-E321 WeakPolarHBondContact CB-OE2 3.39Å; A316-E321 PolarHBondContact O-N 3.33Å; A316-F322 HydrophobicContact CB-CD2 4.42Å; A316-F322 HydrophobicContact CB-CE2 3.52Å; A316-F322 HydrophobicContact CB-CZ 4Å
317	C	95.9	Very high	94.4	Very high	2 Å²	2	52.8 Å²	52.8	1%	0.014	27%	0.272	C	S	.	.	H	α-helix	trans	-62.6	-39.6	173.3	-62.3	0	0	0	0	112.6	F313 L314 K319 G320 F322 L328 W340	F313-C317 WeakPolarHBondContact CE1-SG 3.32Å; F313-C317 VanDerWaalsContact CZ-SG 3.57Å; F313-C317 PolarHBondContact O-N 3.03Å; F313-C317 PolarHBondContact O-SG 3.16Å; F313-C317 VanDerWaalsContact O-SG 3.34Å; L314-C317 PolarHBondContact O-N 2.83Å; C317-K319 VanDerWaalsContact C-N 3.35Å; C317-G320 PolarHBondContact O-N 2.83Å; C317-F322 HydrophobicContact CB-CD2 4.38Å; C317-F322 HydrophobicContact CB-CE2 4.45Å; C317-F322 WeakPolarHBondContact SG-CE2 3.23Å; C317-L328 HydrophobicContact CB-CB 4.04Å; C317-L328 HydrophobicContact CB-CG 4.42Å; C317-L328 PolarHBondContact O-N 3.44Å; C317-W340 HydrophobicContact CB-CZ2 4.04Å
318	F	94.6	Very high	94.3	Very high	60 Å²	60	52.8 Å²	52.8	26%	0.263	27%	0.272	S	S	.	.	H	α-helix	trans	-69	-33.4	177.7	179.7	-107	0	0	0	112.5	Y267 P274 L314 T315 A316 G320 M327 L328 D329	Y267-F318 WeakPolarHBondContact OH-CE2 3.3Å; P274-F318 HydrophobicContact CG-CB 3.98Å; P274-F318 HydrophobicContact CG-CG 4.3Å; L314-F318 WeakPolarHBondContact O-CB 3.46Å; L314-F318 PolarHBondContact O-N 3.39Å; T315-F318 PolarHBondContact O-N 2.89Å; A316-F318 VanDerWaalsContact C-N 3.34Å; A316-F318 PolarHBondContact O-N 3.39Å; F318-G320 PolarHBondContact O-N 2.98Å; F318-M327 WeakPolarHBondContact O-CG 3.45Å; F318-L328 WeakPolarHBondContact CA-O 3.4Å; F318-D329 HydrophobicContact CD2-CB 4.11Å; F318-D329 HydrophobicContact CE2-CB 4.27Å; F318-D329 WeakPolarHBondContact CE2-OD1 3.18Å
319	K	94.8	Very high	94.1	Very high	139 Å²	139	52.2 Å²	52.2	60%	0.604	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	-5.5	174	-71.5	175.3	-179	179.4	0	113.9	T315 A316 C317 E321	T315-K319 HydrophobicContact CG2-CD 4.31Å; T315-K319 WeakPolarHBondContact O-CG 3.34Å; T315-K319 PolarHBondContact O-N 3.12Å; A316-K319 PolarHBondContact O-N 3.05Å; C317-K319 VanDerWaalsContact C-N 3.35Å; K319-E321 HydrophobicContact CB-CG 3.9Å; K319-E321 WeakPolarHBondContact CD-OE1 2.83Å; K319-E321 IonicContact NZ-OE1 2.66Å
320	G	91.9	Very high	93.9	Very high	44 Å²	44	52 Å²	52	45%	0.454	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.8	31.8	-177.6	0	0	0	0	0	113.3	A316 C317 F318 F322	A316-G320 PolarHBondContact O-N 2.86Å; C317-G320 PolarHBondContact O-N 2.83Å; F318-G320 PolarHBondContact O-N 2.98Å; G320-F322 PolarHBondContact O-N 3.48Å
321	E	93.8	Very high	93.5	Very high	118 Å²	118	52.9 Å²	52.9	55%	0.551	27%	0.27	S	S	*	.			trans	-75.1	-10.3	-178	-66.6	176.1	-167.9	0	0	113.4	A316 K319	A316-E321 HydrophobicContact CB-CB 4.21Å; A316-E321 HydrophobicContact CB-CG 4.5Å; A316-E321 VanDerWaalsContact CB-OE2 3.26Å; A316-E321 WeakPolarHBondContact CB-OE2 3.39Å; A316-E321 PolarHBondContact O-N 3.33Å; K319-E321 HydrophobicContact CB-CG 3.9Å; K319-E321 WeakPolarHBondContact CD-OE1 2.83Å; K319-E321 IonicContact NZ-OE1 2.66Å
322	F	92.3	Very high	92.8	Very high	26 Å²	26	54.1 Å²	54.1	11%	0.114	28%	0.278	C	S	.	.			trans	-105.8	111.9	-179.9	-60.7	-80.5	0	0	0	110.9	F313 A316 C317 G320 Q324 L325 E375 W379	F313-F322 HydrophobicContact CD2-CE2 4.1Å; F313-F322 AromaticContact CD2-CZ 3.65Å; F313-F322 HydrophobicContact CD2-CZ 3.65Å; F313-F322 HydrophobicContact CE2-CE1 4.11Å; F313-F322 AromaticContact CE2-CE2 3.92Å; F313-F322 HydrophobicContact CE2-CE2 3.92Å; F313-F322 AromaticContact CE2-CZ 3.54Å; F313-F322 HydrophobicContact CE2-CZ 3.54Å; A316-F322 HydrophobicContact CB-CD2 4.42Å; A316-F322 HydrophobicContact CB-CE2 3.52Å; A316-F322 HydrophobicContact CB-CZ 4Å; C317-F322 HydrophobicContact CB-CD2 4.38Å; C317-F322 HydrophobicContact CB-CE2 4.45Å; C317-F322 WeakPolarHBondContact SG-CE2 3.23Å; G320-F322 PolarHBondContact O-N 3.48Å; F322-Q324 VanDerWaalsContact C-N 3.28Å; F322-Q324 PolarHBondContact O-N 3.25Å; F322-L325 HydrophobicContact CB-CB 4.08Å; F322-L325 HydrophobicContact CB-CD1 4.16Å; F322-L325 HydrophobicContact CB-CG 4.34Å; F322-L325 HydrophobicContact CG-CD1 4.4Å; F322-L325 PolarHBondContact O-N 3.07Å; F322-L325 VanDerWaalsContact O-O 3.08Å; F322-E375 HydrophobicContact CD1-CB 4.42Å; F322-E375 HydrophobicContact CD1-CG 4.09Å; F322-E375 VanDerWaalsContact CD1-OE2 3.26Å; F322-E375 WeakPolarHBondContact CD1-OE2 3.38Å; F322-E375 WeakPolarHBondContact CE1-OE2 3.41Å; F322-W379 HydrophobicContact CE1-CE3 4.39Å; F322-W379 AromaticContact CZ-CE3 3.92Å; F322-W379 HydrophobicContact CZ-CE3 3.92Å; F322-W379 HydrophobicContact CZ-CZ3 4.06Å
323	E	89.1	Confident	92	Very high	199 Å²	199	50.9 Å²	50.9	93%	0.93	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-33.4	-175	-64.7	-178.5	173.3	0	0	113.8	L325	E323-L325 VanDerWaalsContact C-N 3.33Å
324	Q	89	Confident	90.7	Very high	114 Å²	114	52 Å²	52	53%	0.533	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86	-5	-175.9	-60.7	-177.4	17	0	0	113.7	F322 N371	F322-Q324 VanDerWaalsContact C-N 3.28Å; F322-Q324 PolarHBondContact O-N 3.25Å; Q324-N371 HydrophobicContact CB-CB 4.32Å; Q324-N371 PolarHBondContact O-ND2 3.22Å
325	L	90.6	Very high	89.6	Confident	16 Å²	16	55.2 Å²	55.2	8%	0.084	29%	0.287	C	S	.	.	S	Bend	trans	-116.2	139.5	-178.2	-68.2	178.3	0	0	0	110.8	F322 E323 N371 L372 E375	F322-L325 HydrophobicContact CB-CB 4.08Å; F322-L325 HydrophobicContact CB-CD1 4.16Å; F322-L325 HydrophobicContact CB-CG 4.34Å; F322-L325 HydrophobicContact CG-CD1 4.4Å; F322-L325 PolarHBondContact O-N 3.07Å; F322-L325 VanDerWaalsContact O-O 3.08Å; E323-L325 VanDerWaalsContact C-N 3.33Å; L325-N371 HydrophobicContact CD2-CB 3.76Å; L325-L372 HydrophobicContact CD1-CD1 4.05Å; L325-L372 HydrophobicContact CD2-CB 3.93Å; L325-E375 HydrophobicContact CD1-CB 3.97Å; L325-E375 HydrophobicContact CD1-CG 3.77Å; L325-E375 HydrophobicContact CG-CG 4.19Å
326	P	88.7	Confident	88.7	Confident	58 Å²	58	56.2 Å²	56.2	38%	0.377	29%	0.287	S	S	.	.			trans	-64.2	160.2	165	28.8	-31.5	0	0	0	109.7	L328	P326-L328 HydrophobicContact CG-CD2 3.9Å; P326-L328 WeakPolarHBondContact O-CD2 3.47Å; P326-L328 VanDerWaalsContact O-CG 3.26Å; P326-L328 WeakPolarHBondContact O-CG 3.5Å; P326-L328 PolarHBondContact O-N 3.21Å
327	M	90.5	Very high	88	Confident	120 Å²	120	61 Å²	61	59%	0.591	31%	0.312	S	S	*	.			trans	-57.1	122.1	171.3	-172	-171.3	80.8	0	0	110	F318	F318-M327 WeakPolarHBondContact O-CG 3.45Å
328	L	93.7	Very high	87.7	Confident	0 Å²	0	61.8 Å²	61.8	0%	0	32%	0.32	C	S	.	.			trans	-110.5	130.2	-176.6	-54.3	-174.1	0	0	0	111.2	C317 F318 P326 W340 F364 L372	C317-L328 HydrophobicContact CB-CB 4.04Å; C317-L328 HydrophobicContact CB-CG 4.42Å; C317-L328 PolarHBondContact O-N 3.44Å; F318-L328 WeakPolarHBondContact CA-O 3.4Å; P326-L328 HydrophobicContact CG-CD2 3.9Å; P326-L328 WeakPolarHBondContact O-CD2 3.47Å; P326-L328 VanDerWaalsContact O-CG 3.26Å; P326-L328 WeakPolarHBondContact O-CG 3.5Å; P326-L328 PolarHBondContact O-N 3.21Å; L328-W340 HydrophobicContact CB-CZ2 3.57Å; L328-W340 HydrophobicContact CD1-CH2 3.59Å; L328-W340 HydrophobicContact CD1-CZ2 3.31Å; L328-W340 HydrophobicContact CG-CZ2 4.06Å; L328-W340 PolarHBondContact O-NE1 3.07Å; L328-F364 HydrophobicContact CD1-CZ 4.08Å; L328-F364 HydrophobicContact CD2-CE2 3.64Å; L328-F364 HydrophobicContact CD2-CZ 3.41Å; L328-F364 VanDerWaalsContact CD2-CZ 3.41Å; L328-F364 HydrophobicContact CG-CZ 4.4Å; L328-L372 HydrophobicContact CD1-CD1 4.27Å; L328-L372 HydrophobicContact CD1-CD2 4.38Å
329	D	92.7	Very high	87.6	Confident	37 Å²	37	59.7 Å²	59.7	20%	0.198	31%	0.312	C	S	.	.			trans	-121.2	166.7	-175.5	-161.1	5.5	0	0	0	112.9	Y267 F318 N339 W340	Y267-D329 WeakPolarHBondContact CE2-OD1 3.09Å; Y267-D329 PolarHBondContact OH-OD1 3Å; Y267-D329 PolarHBondContact OH-OD2 3.4Å; F318-D329 HydrophobicContact CD2-CB 4.11Å; F318-D329 HydrophobicContact CE2-CB 4.27Å; F318-D329 WeakPolarHBondContact CE2-OD1 3.18Å; D329-N339 PolarHBondContact O-N 3.17Å; D329-W340 VanDerWaalsContact C-CD1 3.42Å; D329-W340 VanDerWaalsContact O-CD1 3.24Å; D329-W340 PolarHBondContact O-N 3.19Å
330	A	92.9	Very high	87.6	Confident	4 Å²	4	53.1 Å²	53.1	3%	0.033	28%	0.283	C	S	.	.	B	Isolated β-bridge	trans	-57.6	138.2	168.6	0	0	0	0	0	111.6	V265 Y267 P274 D332	V265-A330 HydrophobicContact CG1-CB 4.23Å; Y267-A330 HydrophobicContact CD2-CB 4.17Å; Y267-A330 HydrophobicContact CE2-CB 4.01Å; P274-A330 HydrophobicContact CB-CB 4.03Å; A330-D332 PolarHBondContact O-N 3.21Å
331	F	90.4	Very high	87.6	Confident	20 Å²	20	53 Å²	53	9%	0.088	27%	0.269	C	S	.	.			trans	-71.3	120.7	177.1	174.8	-102.7	0	0	0	110.7	P333 Y336 N337 W340 R341 N360	F331-P333 HydrophobicContact CE1-CB 4.08Å; F331-P333 WeakPolarHBondContact O-CD 3.46Å; F331-Y336 HydrophobicContact CE2-CD1 4.22Å; F331-Y336 HydrophobicContact CE2-CG 4.21Å; F331-Y336 AromaticContact CZ-CD1 3.93Å; F331-Y336 HydrophobicContact CZ-CD1 3.93Å; F331-Y336 HydrophobicContact CZ-CD2 4.47Å; F331-Y336 HydrophobicContact CZ-CE1 4.37Å; F331-Y336 HydrophobicContact CZ-CG 4Å; F331-N337 WeakPolarHBondContact CA-O 3.16Å; F331-W340 VanDerWaalsContact CB-O 3.24Å; F331-W340 WeakPolarHBondContact CB-O 3.24Å; F331-W340 PolarHBondContact N-O 3.02Å; F331-R341 HydrophobicContact CB-CB 4.48Å; F331-R341 HydrophobicContact CB-CG 3.56Å; F331-R341 HydrophobicContact CD1-CG 3.87Å; F331-R341 HydrophobicContact CD2-CG 4.4Å; F331-R341 HydrophobicContact CG-CG 3.69Å; F331-N360 HydrophobicContact CD2-CB 3.6Å; F331-N360 HydrophobicContact CE2-CB 3.98Å; F331-N360 HydrophobicContact CG-CB 4.38Å
332	D	83.9	Confident	87.6	Confident	45 Å²	45	50.5 Å²	50.5	24%	0.241	26%	0.257	C	S	.	.			trans	-88.4	113.1	171.8	175.9	11.2	0	0	0	110	A330 I334 T335 Y336 N337	A330-D332 PolarHBondContact O-N 3.21Å; D332-I334 PolarHBondContact O-N 2.91Å; D332-I334 VanDerWaalsContact O-N 3.13Å; D332-I334 WeakPolarHBondContact OD1-CA 3.47Å; D332-I334 VanDerWaalsContact OD1-CB 3.27Å; D332-I334 WeakPolarHBondContact OD1-CB 3.49Å; D332-I334 WeakPolarHBondContact OD1-CG1 3.46Å; D332-I334 PolarHBondContact OD1-N 3.39Å; D332-T335 WeakPolarHBondContact CB-OG1 3.34Å; D332-T335 PolarHBondContact O-N 2.83Å; D332-T335 WeakPolarHBondContact OD2-CB 3.25Å; D332-T335 VanDerWaalsContact OD2-CG2 3.24Å; D332-T335 WeakPolarHBondContact OD2-CG2 3.29Å; D332-T335 PolarHBondContact OD2-N 3.37Å; D332-T335 PolarHBondContact OD2-OG1 2.74Å; D332-Y336 WeakPolarHBondContact O-CA 3.3Å; D332-Y336 PolarHBondContact O-N 3.49Å; D332-N337 PolarHBondContact N-O 3.01Å
333	P	78.7	Confident	87.8	Confident	22 Å²	22	49.3 Å²	49.3	14%	0.143	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-12.8	177.7	31.7	-38.9	0	0	0	113.4	Y283 V288 F331 Y336	Y283-P333 HydrophobicContact CD2-CG 4.3Å; Y283-P333 HydrophobicContact CE2-CB 3.97Å; Y283-P333 HydrophobicContact CE2-CG 3.85Å; V288-P333 HydrophobicContact CB-CG 4.24Å; V288-P333 HydrophobicContact CG1-CG 3.55Å; F331-P333 HydrophobicContact CE1-CB 4.08Å; F331-P333 WeakPolarHBondContact O-CD 3.46Å; P333-Y336 VanDerWaalsContact O-CE2 3.24Å; P333-Y336 WeakPolarHBondContact O-CE2 3.39Å
334	I	71.7	Confident	88.1	Confident	24 Å²	24	40 Å²	40	12%	0.123	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-63.6	173.7	-52.4	168.4	0	0	0	108.1	R59 L144 I145 D332	R59-I334 PolarHBondContact NH1-O 2.9Å; R59-I334 PolarHBondContact NH2-O 2.68Å; L144-I334 HydrophobicContact CD1-CD1 4.33Å; L144-I334 HydrophobicContact CD2-CD1 3.35Å; L144-I334 HydrophobicContact CD2-CG1 3.9Å; I145-I334 HydrophobicContact CD1-CG2 4.29Å; D332-I334 PolarHBondContact O-N 2.91Å; D332-I334 VanDerWaalsContact O-N 3.13Å; D332-I334 WeakPolarHBondContact OD1-CA 3.47Å; D332-I334 VanDerWaalsContact OD1-CB 3.27Å; D332-I334 WeakPolarHBondContact OD1-CB 3.49Å; D332-I334 WeakPolarHBondContact OD1-CG1 3.46Å; D332-I334 PolarHBondContact OD1-N 3.39Å
335	T	74	Confident	88.5	Confident	68 Å²	68	34.7 Å²	34.7	42%	0.417	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-16.9	-174.5	58.5	0	0	0	0	114.4	D332 N337	D332-T335 WeakPolarHBondContact CB-OG1 3.34Å; D332-T335 PolarHBondContact O-N 2.83Å; D332-T335 WeakPolarHBondContact OD2-CB 3.25Å; D332-T335 VanDerWaalsContact OD2-CG2 3.24Å; D332-T335 WeakPolarHBondContact OD2-CG2 3.29Å; D332-T335 PolarHBondContact OD2-N 3.37Å; D332-T335 PolarHBondContact OD2-OG1 2.74Å; T335-N337 PolarHBondContact O-N 3.1Å; T335-N337 PolarHBondContact OG1-N 3.43Å; T335-N337 PolarHBondContact OG1-ND2 3.47Å
336	Y	77	Confident	88.8	Confident	62 Å²	62	34.3 Å²	34.3	24%	0.243	18%	0.181	C	C	.	.			trans	63.3	13	-170	-76.7	-122.9	0	0	0	113.9	T61 F331 D332 P333 N360 S401	T61-Y336 HydrophobicContact CG2-CD1 4.41Å; T61-Y336 HydrophobicContact CG2-CE1 4.48Å; F331-Y336 HydrophobicContact CE2-CD1 4.22Å; F331-Y336 HydrophobicContact CE2-CG 4.21Å; F331-Y336 AromaticContact CZ-CD1 3.93Å; F331-Y336 HydrophobicContact CZ-CD1 3.93Å; F331-Y336 HydrophobicContact CZ-CD2 4.47Å; F331-Y336 HydrophobicContact CZ-CE1 4.37Å; F331-Y336 HydrophobicContact CZ-CG 4Å; D332-Y336 WeakPolarHBondContact O-CA 3.3Å; D332-Y336 PolarHBondContact O-N 3.49Å; P333-Y336 VanDerWaalsContact O-CE2 3.24Å; P333-Y336 WeakPolarHBondContact O-CE2 3.39Å; Y336-N360 PolarHBondContact O-ND2 3.26Å; Y336-S401 WeakPolarHBondContact CE1-OG 3.34Å
337	N	82.9	Confident	89.1	Confident	103 Å²	103	33.3 Å²	33.3	55%	0.551	17%	0.172	S	C	*	.			trans	-80.5	161.6	172	-64.7	-27.5	0	0	0	110.3	F331 D332 T335	F331-N337 WeakPolarHBondContact CA-O 3.16Å; D332-N337 PolarHBondContact N-O 3.01Å; T335-N337 PolarHBondContact O-N 3.1Å; T335-N337 PolarHBondContact OG1-N 3.43Å; T335-N337 PolarHBondContact OG1-ND2 3.47Å
338	G	88	Confident	89.4	Confident	18 Å²	18	27.9 Å²	27.9	19%	0.186	15%	0.145	C	C	.	.			trans	79.2	177	-177.9	0	0	0	0	0	113.3	N360	G338-N360 PolarHBondContact O-ND2 2.93Å
339	N	92.4	Very high	89.4	Confident	17 Å²	17	33.4 Å²	33.4	9%	0.091	17%	0.166	C	C	.	.	S	Bend	trans	-125.8	-48.6	-162.3	-55.2	97	0	0	0	111.8	D329 R341 I359 N360 F364	D329-N339 PolarHBondContact O-N 3.17Å; N339-R341 PolarHBondContact O-N 2.71Å; N339-I359 CarbonylContact O-C 3.53Å; N339-I359 WeakPolarHBondContact O-CA 3.39Å; N339-N360 PolarHBondContact ND2-O 3.02Å; N339-N360 PolarHBondContact O-N 3.47Å; N339-F364 HydrophobicContact CB-CZ 4.2Å; N339-F364 WeakPolarHBondContact ND2-CE2 3.48Å; N339-F364 VanDerWaalsContact ND2-CZ 3.29Å; N339-F364 WeakPolarHBondContact ND2-CZ 3.42Å
340	W	94.9	Very high	89.4	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	120	-172	-48.4	122.8	0	0	0	112.2	V265 F313 L314 C317 L328 D329 F331 L357 I359 L372	V265-W340 HydrophobicContact CB-CB 3.8Å; V265-W340 HydrophobicContact CG1-CB 3.62Å; V265-W340 HydrophobicContact CG1-CG 4.45Å; V265-W340 HydrophobicContact CG2-CB 4.09Å; F313-W340 HydrophobicContact CE1-CH2 4.16Å; F313-W340 HydrophobicContact CE1-CZ2 4.49Å; L314-W340 HydrophobicContact CD1-CG 4.31Å; L314-W340 HydrophobicContact CD2-CD2 3.47Å; L314-W340 VanDerWaalsContact CD2-CD2 3.47Å; L314-W340 VanDerWaalsContact CD2-CE2 3.45Å; L314-W340 HydrophobicContact CD2-CE3 3.75Å; L314-W340 HydrophobicContact CD2-CG 3.94Å; L314-W340 HydrophobicContact CD2-CH2 4.01Å; L314-W340 HydrophobicContact CD2-CZ2 3.7Å; L314-W340 HydrophobicContact CD2-CZ3 4.04Å; C317-W340 HydrophobicContact CB-CZ2 4.04Å; L328-W340 HydrophobicContact CB-CZ2 3.57Å; L328-W340 HydrophobicContact CD1-CH2 3.59Å; L328-W340 HydrophobicContact CD1-CZ2 3.31Å; L328-W340 HydrophobicContact CG-CZ2 4.06Å; L328-W340 PolarHBondContact O-NE1 3.07Å; D329-W340 VanDerWaalsContact C-CD1 3.42Å; D329-W340 VanDerWaalsContact O-CD1 3.24Å; D329-W340 PolarHBondContact O-N 3.19Å; F331-W340 VanDerWaalsContact CB-O 3.24Å; F331-W340 WeakPolarHBondContact CB-O 3.24Å; F331-W340 PolarHBondContact N-O 3.02Å; W340-L357 HydrophobicContact CE3-CD1 4.12Å; W340-L357 HydrophobicContact CE3-CD2 3.89Å; W340-L357 HydrophobicContact CE3-CG 4.17Å; W340-L357 HydrophobicContact CH2-CD2 4.32Å; W340-L357 HydrophobicContact CZ3-CD2 3.45Å; W340-L357 VanDerWaalsContact CZ3-CD2 3.45Å; W340-L357 HydrophobicContact CZ3-CG 4.12Å; W340-I359 HydrophobicContact CE3-CG2 3.41Å; W340-I359 VanDerWaalsContact CE3-CG2 3.41Å; W340-I359 HydrophobicContact CZ3-CG2 3.46Å; W340-I359 VanDerWaalsContact CZ3-CG2 3.46Å; W340-L372 HydrophobicContact CH2-CD1 3.74Å; W340-L372 HydrophobicContact CH2-CD2 3.99Å; W340-L372 HydrophobicContact CZ3-CD2 4.17Å
341	R	93.1	Very high	89.4	Confident	42 Å²	42	36.2 Å²	36.2	16%	0.158	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	-65.3	-176.6	-62.3	-176	63.3	-172.5	-6.8	113.1	V265 F331 N339 Y358 N360	V265-R341 PolarHBondContact N-O 2.81Å; F331-R341 HydrophobicContact CB-CB 4.48Å; F331-R341 HydrophobicContact CB-CG 3.56Å; F331-R341 HydrophobicContact CD1-CG 3.87Å; F331-R341 HydrophobicContact CD2-CG 4.4Å; F331-R341 HydrophobicContact CG-CG 3.69Å; N339-R341 PolarHBondContact O-N 2.71Å; R341-Y358 WeakPolarHBondContact CB-O 3.48Å; R341-Y358 PolarHBondContact N-O 3.08Å; R341-N360 HydrophobicContact CG-CB 4.35Å
342	H	93.4	Very high	89.7	Confident	66 Å²	66	36.5 Å²	36.5	31%	0.306	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	157.1	-170.5	-56.8	-66	0	0	0	110.4	L263 T264 Y358	L263-H342 CarbonylContact O-C 3.53Å; L263-H342 WeakPolarHBondContact O-CA 3.22Å; L263-H342 WeakPolarHBondContact O-CB 3.41Å; T264-H342 PolarHBondContact OG1-ND1 3.4Å; H342-Y358 HydrophobicContact CB-CD2 3.84Å; H342-Y358 HydrophobicContact CB-CG 4.15Å; H342-Y358 PolarHBondContact N-O 3.05Å; H342-Y358 WeakPolarHBondContact O-CB 3.24Å; H342-Y358 WeakPolarHBondContact O-CD2 3.37Å; H342-Y358 PolarHBondContact O-N 3.43Å
343	V	96.5	Very high	90.4	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.006	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	120	171.8	-177.4	0	0	0	0	107.4	E262 L263 V265 I276 L310 V355 V356 L357	E262-V343 WeakPolarHBondContact CA-O 3.37Å; L263-V343 HydrophobicContact CB-CB 4.37Å; L263-V343 PolarHBondContact N-O 3.16Å; L263-V343 PolarHBondContact O-N 3.25Å; V265-V343 HydrophobicContact CG2-CG2 4.05Å; I276-V343 HydrophobicContact CD1-CG2 4.4Å; I276-V343 HydrophobicContact CG2-CB 4.44Å; I276-V343 HydrophobicContact CG2-CG2 4.11Å; L310-V343 HydrophobicContact CD2-CB 4.45Å; L310-V343 HydrophobicContact CD2-CG1 3.76Å; L310-V343 HydrophobicContact CD2-CG2 3.78Å; V343-V355 HydrophobicContact CG1-CG1 3.94Å; V343-V356 WeakPolarHBondContact CA-O 3.26Å; V343-L357 HydrophobicContact CG2-CD1 3.83Å
344	L	96	Very high	91.3	Very high	4 Å²	4	33.3 Å²	33.3	2%	0.021	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	130.4	163.8	168.7	67.4	0	0	0	107.3	K260 E262 R346 V355 V356 Y358 I432	K260-L344 HydrophobicContact CD-CD1 4.26Å; K260-L344 HydrophobicContact CG-CD1 3.9Å; E262-L344 HydrophobicContact CG-CD1 3.67Å; L344-R346 HydrophobicContact CD1-CG 4.43Å; L344-V355 CarbonylContact O-C 3.54Å; L344-V355 VanDerWaalsContact O-CA 3.3Å; L344-V355 WeakPolarHBondContact O-CA 3.45Å; L344-V356 HydrophobicContact CB-CB 4.15Å; L344-V356 HydrophobicContact CB-CG2 4.5Å; L344-V356 HydrophobicContact CD2-CB 4.49Å; L344-V356 HydrophobicContact CD2-CG2 4.04Å; L344-V356 PolarHBondContact N-O 3.22Å; L344-V356 PolarHBondContact O-N 3.42Å; L344-Y358 HydrophobicContact CB-CE2 3.74Å; L344-I432 HydrophobicContact CD2-CG2 4.31Å
345	I	97.1	Very high	92.6	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.005	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	140	169.3	-171.2	160.6	0	0	0	109.9	K260 S261 M299 V306 I307 T353 L354 V355	K260-I345 WeakPolarHBondContact CA-O 3.35Å; S261-I345 PolarHBondContact N-O 2.88Å; S261-I345 PolarHBondContact O-N 2.89Å; M299-I345 HydrophobicContact CE-CG2 3.91Å; V306-I345 HydrophobicContact CB-CD1 4.02Å; V306-I345 HydrophobicContact CG1-CD1 3.85Å; I307-I345 HydrophobicContact CD1-CD1 4.2Å; I307-I345 HydrophobicContact CD1-CG2 4.11Å; I307-I345 HydrophobicContact CG1-CD1 3.94Å; I345-T353 HydrophobicContact CD1-CG2 4.09Å; I345-T353 HydrophobicContact CG1-CG2 4.22Å; I345-L354 CarbonylContact C-O 3.45Å; I345-L354 WeakPolarHBondContact CA-O 3.39Å; I345-V355 HydrophobicContact CB-CG2 4.23Å; I345-V355 HydrophobicContact CD1-CG2 3.85Å; I345-V355 HydrophobicContact CG1-CG2 3.85Å
346	R	96.7	Very high	93.7	Very high	9 Å²	9	29 Å²	29	3%	0.034	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	143.8	169.6	-61.6	-176.6	-175.9	-138.8	2.3	110.1	N259 K260 L344 T353 L354 I419 I432 A434	N259-R346 CarbonylContact O-C 3.57Å; N259-R346 WeakPolarHBondContact O-CA 3.46Å; K260-R346 HydrophobicContact CB-CG 4.27Å; K260-R346 HydrophobicContact CG-CG 4.01Å; L344-R346 HydrophobicContact CD1-CG 4.43Å; R346-T353 CarbonylContact O-C 3.36Å; R346-T353 VanDerWaalsContact O-CA 3.31Å; R346-T353 WeakPolarHBondContact O-CA 3.4Å; R346-L354 PolarHBondContact N-O 2.84Å; R346-L354 PolarHBondContact O-N 3.35Å; R346-I419 HydrophobicContact CB-CD1 3.76Å; R346-I432 VanDerWaalsContact CZ-O 3.31Å; R346-I432 PolarHBondContact NE-O 3.47Å; R346-I432 PolarHBondContact NH2-O 3.4Å; R346-A434 PolarHBondContact NH1-O 3.33Å; R346-A434 PolarHBondContact NH2-O 3.39Å
347	E	95.6	Very high	94.7	Very high	36 Å²	36	26.1 Å²	26.1	17%	0.168	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	146.5	171.9	-171.2	166.3	148.6	0	0	108.7	N259 P300 N302 S303 D352	N259-E347 WeakPolarHBondContact CB-O 3.42Å; N259-E347 PolarHBondContact O-N 3.22Å; P300-E347 WeakPolarHBondContact CB-OE2 3.48Å; P300-E347 HydrophobicContact CG-CB 4.42Å; N302-E347 WeakPolarHBondContact CB-OE2 3.2Å; S303-E347 PolarHBondContact N-OE2 2.89Å; S303-E347 PolarHBondContact OG-OE2 2.9Å; E347-D352 CarbonylContact C-O 3.56Å; E347-D352 VanDerWaalsContact CA-O 3.29Å; E347-D352 WeakPolarHBondContact CA-O 3.44Å
348	S	95.9	Very high	95.2	Very high	6 Å²	6	23.2 Å²	23.2	4%	0.042	13%	0.125	C	C	.	.			trans	-117.9	156.7	173.9	86.1	0	0	0	0	110.9	S350 G351 D352 I420	S348-S350 PolarHBondContact O-N 3.42Å; S348-S350 PolarHBondContact OG-N 2.81Å; S348-G351 PolarHBondContact O-N 3.24Å; S348-G351 PolarHBondContact OG-N 3.44Å; S348-D352 PolarHBondContact N-O 3.38Å; S348-D352 WeakPolarHBondContact OG-CB 3.38Å; S348-D352 PolarHBondContact OG-N 2.93Å; S348-D352 VanDerWaalsContact OG-N 3.14Å; S348-I420 WeakPolarHBondContact CB-O 3.37Å; S348-I420 PolarHBondContact OG-O 2.91Å
349	R	93.6	Very high	95.4	Very high	117 Å²	117	22.4 Å²	22.4	44%	0.442	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-18.1	172.6	-64.1	172.3	65.5	-171.5	8.5	112.8	G351 E421 Q422 E444	R349-G351 PolarHBondContact O-N 3.3Å; R349-E421 VanDerWaalsContact CB-OE1 3.22Å; R349-E421 WeakPolarHBondContact CB-OE1 3.36Å; R349-E421 VanDerWaalsContact CG-OE1 3.29Å; R349-E421 WeakPolarHBondContact CG-OE1 3.33Å; R349-E421 PolarHBondContact N-OE1 3.37Å; R349-Q422 HydrophobicContact CB-CB 4.43Å; R349-Q422 PolarHBondContact NH1-O 2.94Å; R349-E444 IonicContact NH1-OE1 3.3Å; R349-E444 PolarHBondContact NH1-OE1 3.11Å; R349-E444 IonicContact NH1-OE2 3.9Å
350	S	93.5	Very high	95.2	Very high	52 Å²	52	22 Å²	22	36%	0.364	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-2.4	171.1	-44.1	0	0	0	0	112.9	S348 I420	S348-S350 PolarHBondContact O-N 3.42Å; S348-S350 PolarHBondContact OG-N 2.81Å; S350-I420 WeakPolarHBondContact CB-O 3.36Å; S350-I420 PolarHBondContact OG-O 3.48Å
351	G	93.1	Very high	94.7	Very high	48 Å²	48	22.7 Å²	22.7	50%	0.495	12%	0.119	S	C	.	.	S	Bend	trans	89.9	5.1	179.7	0	0	0	0	0	114.7	S348 R349	S348-G351 PolarHBondContact O-N 3.24Å; S348-G351 PolarHBondContact OG-N 3.44Å; R349-G351 PolarHBondContact O-N 3.3Å
352	D	96.9	Very high	94.2	Very high	25 Å²	25	29 Å²	29	13%	0.134	14%	0.144	C	C	.	.			trans	-71.3	136.9	173.4	-71.6	-42.1	0	0	0	110	E347 S348 I419 I420	E347-D352 CarbonylContact C-O 3.56Å; E347-D352 VanDerWaalsContact CA-O 3.29Å; E347-D352 WeakPolarHBondContact CA-O 3.44Å; S348-D352 PolarHBondContact N-O 3.38Å; S348-D352 WeakPolarHBondContact OG-CB 3.38Å; S348-D352 PolarHBondContact OG-N 2.93Å; S348-D352 VanDerWaalsContact OG-N 3.14Å; D352-I419 HydrophobicContact CB-CB 3.75Å; D352-I419 HydrophobicContact CB-CG2 3.69Å; D352-I420 PolarHBondContact OD2-N 3.29Å
353	T	97.9	Very high	93.5	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	118	170	-59.1	0	0	0	0	109.1	N302 V306 I345 R346 L390 T391 S392	N302-T353 PolarHBondContact ND2-OG1 3.46Å; V306-T353 HydrophobicContact CB-CG2 4.49Å; V306-T353 HydrophobicContact CG1-CG2 4.49Å; V306-T353 HydrophobicContact CG2-CG2 3.93Å; I345-T353 HydrophobicContact CD1-CG2 4.09Å; I345-T353 HydrophobicContact CG1-CG2 4.22Å; R346-T353 CarbonylContact O-C 3.36Å; R346-T353 VanDerWaalsContact O-CA 3.31Å; R346-T353 WeakPolarHBondContact O-CA 3.4Å; T353-L390 HydrophobicContact CG2-CD1 4.19Å; T353-L390 WeakPolarHBondContact O-CD1 3.42Å; T353-T391 PolarHBondContact N-OG1 3.36Å; T353-T391 PolarHBondContact O-N 2.82Å; T353-T391 PolarHBondContact O-OG1 2.89Å; T353-S392 PolarHBondContact O-N 3.41Å
354	L	98	Very high	92.9	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.005	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	130.3	-177.2	-176.3	152.3	0	0	0	110.2	I345 R346 V356 S392 I419 I432	I345-L354 CarbonylContact C-O 3.45Å; I345-L354 WeakPolarHBondContact CA-O 3.39Å; R346-L354 PolarHBondContact N-O 2.84Å; R346-L354 PolarHBondContact O-N 3.35Å; L354-V356 HydrophobicContact CD2-CG2 3.85Å; L354-S392 CarbonylContact C-O 3.51Å; L354-S392 WeakPolarHBondContact CA-O 3.28Å; L354-I419 HydrophobicContact CB-CG2 3.51Å; L354-I419 HydrophobicContact CD1-CG2 4.15Å; L354-I419 HydrophobicContact CG-CG2 4.48Å; L354-I432 HydrophobicContact CD1-CD1 4.38Å; L354-I432 HydrophobicContact CD1-CG1 3.77Å; L354-I432 HydrophobicContact CD2-CG1 3.95Å
355	V	98.4	Very high	92.5	Very high	2 Å²	2	33.9 Å²	33.9	1%	0.012	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	138	174.6	171.5	0	0	0	0	110.6	V306 L310 V343 L344 I345 L390 S392 L393 Y394	V306-V355 HydrophobicContact CG1-CG2 3.59Å; L310-V355 HydrophobicContact CD2-CG1 4.29Å; V343-V355 HydrophobicContact CG1-CG1 3.94Å; L344-V355 CarbonylContact O-C 3.54Å; L344-V355 VanDerWaalsContact O-CA 3.3Å; L344-V355 WeakPolarHBondContact O-CA 3.45Å; I345-V355 HydrophobicContact CB-CG2 4.23Å; I345-V355 HydrophobicContact CD1-CG2 3.85Å; I345-V355 HydrophobicContact CG1-CG2 3.85Å; V355-L390 HydrophobicContact CB-CD1 3.97Å; V355-L390 HydrophobicContact CG2-CD1 3.59Å; V355-S392 PolarHBondContact N-O 3.03Å; V355-L393 HydrophobicContact CB-CD1 3.79Å; V355-L393 HydrophobicContact CG1-CD1 3.61Å; V355-L393 WeakPolarHBondContact O-CA 3.45Å; V355-Y394 PolarHBondContact O-N 2.68Å
356	V	97.2	Very high	92.2	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	119	162.9	-169.6	0	0	0	0	108.8	V343 L344 L354 Y358 Y394 L410 I432	V343-V356 WeakPolarHBondContact CA-O 3.26Å; L344-V356 HydrophobicContact CB-CB 4.15Å; L344-V356 HydrophobicContact CB-CG2 4.5Å; L344-V356 HydrophobicContact CD2-CB 4.49Å; L344-V356 HydrophobicContact CD2-CG2 4.04Å; L344-V356 PolarHBondContact N-O 3.22Å; L344-V356 PolarHBondContact O-N 3.42Å; L354-V356 HydrophobicContact CD2-CG2 3.85Å; V356-Y358 HydrophobicContact CB-CE2 3.84Å; V356-Y358 HydrophobicContact CG1-CD2 4.26Å; V356-Y358 HydrophobicContact CG1-CE1 4.1Å; V356-Y358 HydrophobicContact CG1-CE2 3.76Å; V356-Y394 CarbonylContact C-O 3.58Å; V356-Y394 WeakPolarHBondContact CA-O 3.36Å; V356-L410 HydrophobicContact CG1-CD2 3.74Å; V356-I432 HydrophobicContact CG2-CG2 3.52Å
357	L	96.9	Very high	92	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	119.5	173.1	-178.5	58.5	0	0	0	109.2	L310 W340 V343 I359 L376 Y394 L395 S396	L310-L357 HydrophobicContact CD1-CD2 4.25Å; L310-L357 HydrophobicContact CD2-CD1 4.46Å; W340-L357 HydrophobicContact CE3-CD1 4.12Å; W340-L357 HydrophobicContact CE3-CD2 3.89Å; W340-L357 HydrophobicContact CE3-CG 4.17Å; W340-L357 HydrophobicContact CH2-CD2 4.32Å; W340-L357 HydrophobicContact CZ3-CD2 3.45Å; W340-L357 VanDerWaalsContact CZ3-CD2 3.45Å; W340-L357 HydrophobicContact CZ3-CG 4.12Å; V343-L357 HydrophobicContact CG2-CD1 3.83Å; L357-I359 HydrophobicContact CG-CG2 4.21Å; L357-L376 HydrophobicContact CD2-CD1 4.21Å; L357-L376 HydrophobicContact CD2-CD2 4.32Å; L357-Y394 PolarHBondContact N-O 3.13Å; L357-L395 HydrophobicContact CB-CD1 4.12Å; L357-L395 HydrophobicContact CD2-CD1 4.11Å; L357-L395 HydrophobicContact CG-CD1 4.09Å; L357-L395 CarbonylContact O-C 3.25Å; L357-L395 WeakPolarHBondContact O-CA 3.47Å; L357-S396 PolarHBondContact O-N 2.81Å
358	Y	93.8	Very high	91.8	Very high	42 Å²	42	45.1 Å²	45.1	17%	0.165	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	125.8	179.8	-63.2	-93.6	0	0	0	110.2	R341 H342 L344 V356 S396 Q405	R341-Y358 WeakPolarHBondContact CB-O 3.48Å; R341-Y358 PolarHBondContact N-O 3.08Å; H342-Y358 HydrophobicContact CB-CD2 3.84Å; H342-Y358 HydrophobicContact CB-CG 4.15Å; H342-Y358 PolarHBondContact N-O 3.05Å; H342-Y358 WeakPolarHBondContact O-CB 3.24Å; H342-Y358 WeakPolarHBondContact O-CD2 3.37Å; H342-Y358 PolarHBondContact O-N 3.43Å; L344-Y358 HydrophobicContact CB-CE2 3.74Å; V356-Y358 HydrophobicContact CB-CE2 3.84Å; V356-Y358 HydrophobicContact CG1-CD2 4.26Å; V356-Y358 HydrophobicContact CG1-CE1 4.1Å; V356-Y358 HydrophobicContact CG1-CE2 3.76Å; Y358-S396 WeakPolarHBondContact CD1-OG 3.47Å; Y358-Q405 VanDerWaalsContact CD1-OE1 3.25Å
359	I	92.7	Very high	91.6	Very high	1 Å²	1	45.1 Å²	45.1	1%	0.005	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	151.2	-179.9	62.9	166.3	0	0	0	113.2	N339 W340 L357 T361 F364 L372 L395 S396	N339-I359 CarbonylContact O-C 3.53Å; N339-I359 WeakPolarHBondContact O-CA 3.39Å; W340-I359 HydrophobicContact CE3-CG2 3.41Å; W340-I359 VanDerWaalsContact CE3-CG2 3.41Å; W340-I359 HydrophobicContact CZ3-CG2 3.46Å; W340-I359 VanDerWaalsContact CZ3-CG2 3.46Å; L357-I359 HydrophobicContact CG-CG2 4.21Å; I359-T361 HydrophobicContact CD1-CG2 3.5Å; I359-T361 HydrophobicContact CG1-CG2 3.72Å; I359-F364 HydrophobicContact CD1-CD1 4.29Å; I359-F364 HydrophobicContact CD1-CE1 3.94Å; I359-L372 HydrophobicContact CD1-CD2 3.9Å; I359-L395 HydrophobicContact CD1-CD1 3.91Å; I359-L395 HydrophobicContact CD1-CD2 3.83Å; I359-L395 HydrophobicContact CD1-CG 4Å; I359-L395 HydrophobicContact CG1-CD1 3.99Å; I359-L395 HydrophobicContact CG1-CG 4.2Å; I359-L395 HydrophobicContact CG2-CD1 3.85Å; I359-S396 WeakPolarHBondContact CG1-O 3.31Å; I359-S396 PolarHBondContact N-O 3.33Å; I359-S396 VanDerWaalsContact N-O 3.13Å
360	N	88.8	Confident	91.7	Very high	8 Å²	8	43.3 Å²	43.3	4%	0.043	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	119.9	159.9	177.4	42.3	0	0	0	108.4	F331 Y336 G338 N339 R341 Y362	F331-N360 HydrophobicContact CD2-CB 3.6Å; F331-N360 HydrophobicContact CE2-CB 3.98Å; F331-N360 HydrophobicContact CG-CB 4.38Å; Y336-N360 PolarHBondContact O-ND2 3.26Å; G338-N360 PolarHBondContact O-ND2 2.93Å; N339-N360 PolarHBondContact ND2-O 3.02Å; N339-N360 PolarHBondContact O-N 3.47Å; R341-N360 HydrophobicContact CG-CB 4.35Å; N360-Y362 PolarHBondContact OD1-N 2.88Å
361	T	84.4	Confident	91.8	Very high	15 Å²	15	42 Å²	42	9%	0.092	23%	0.231	C	C	.	.			trans	-99.9	14.4	-179.9	55.7	0	0	0	0	113.3	I359 G363 F364 I369 I397	I359-T361 HydrophobicContact CD1-CG2 3.5Å; I359-T361 HydrophobicContact CG1-CG2 3.72Å; T361-G363 PolarHBondContact O-N 3.42Å; T361-G363 VanDerWaalsContact O-N 3.13Å; T361-F364 HydrophobicContact CG2-CD1 4.16Å; T361-F364 WeakPolarHBondContact O-CB 3.39Å; T361-F364 PolarHBondContact O-N 3.31Å; T361-I369 HydrophobicContact CG2-CD1 4.45Å; T361-I397 HydrophobicContact CG2-CB 4.24Å; T361-I397 HydrophobicContact CG2-CG2 3.55Å
362	Y	81.3	Confident	92	Very high	176 Å²	176	39.7 Å²	39.7	69%	0.69	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59	120.2	173.2	-175.5	-97.5	0	0	0	110.3	N360 F364	N360-Y362 PolarHBondContact OD1-N 2.88Å; Y362-F364 VanDerWaalsContact C-N 3.35Å
363	G	78.3	Confident	92	Very high	67 Å²	67	39.2 Å²	39.2	69%	0.691	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	85.7	-3.4	-176.9	0	0	0	0	0	115.3	T361	T361-G363 PolarHBondContact O-N 3.42Å; T361-G363 VanDerWaalsContact O-N 3.13Å
364	F	84	Confident	91.9	Very high	34 Å²	34	42.7 Å²	42.7	15%	0.149	22%	0.223	C	C	.	.			trans	-80.1	137.9	172.8	-80.7	-162.5	0	0	0	111.1	L328 N339 I359 T361 Y362 N368 I369 L372	L328-F364 HydrophobicContact CD1-CZ 4.08Å; L328-F364 HydrophobicContact CD2-CE2 3.64Å; L328-F364 HydrophobicContact CD2-CZ 3.41Å; L328-F364 VanDerWaalsContact CD2-CZ 3.41Å; L328-F364 HydrophobicContact CG-CZ 4.4Å; N339-F364 HydrophobicContact CB-CZ 4.2Å; N339-F364 WeakPolarHBondContact ND2-CE2 3.48Å; N339-F364 VanDerWaalsContact ND2-CZ 3.29Å; N339-F364 WeakPolarHBondContact ND2-CZ 3.42Å; I359-F364 HydrophobicContact CD1-CD1 4.29Å; I359-F364 HydrophobicContact CD1-CE1 3.94Å; T361-F364 HydrophobicContact CG2-CD1 4.16Å; T361-F364 WeakPolarHBondContact O-CB 3.39Å; T361-F364 PolarHBondContact O-N 3.31Å; Y362-F364 VanDerWaalsContact C-N 3.35Å; F364-N368 HydrophobicContact CB-CB 4.3Å; F364-N368 HydrophobicContact CD1-CB 4.44Å; F364-N368 HydrophobicContact CG-CB 4.22Å; F364-I369 HydrophobicContact CB-CD1 4.47Å; F364-I369 HydrophobicContact CB-CG1 4.18Å; F364-I369 HydrophobicContact CD1-CG1 3.99Å; F364-L372 HydrophobicContact CE1-CD2 4.07Å
365	T	89	Confident	91.9	Very high	71 Å²	71	44.3 Å²	44.3	44%	0.436	23%	0.231	S	C	.	.			trans	-83.3	163	161.6	66.6	0	0	0	0	110.2	E367 N368 I369	T365-E367 PolarHBondContact O-N 3.32Å; T365-E367 PolarHBondContact OG1-N 2.94Å; T365-N368 PolarHBondContact N-OD1 2.98Å; T365-N368 VanDerWaalsContact N-OD1 3.09Å; T365-N368 PolarHBondContact O-N 3.13Å; T365-N368 VanDerWaalsContact O-N 3.11Å; T365-N368 VanDerWaalsContact OG1-CG 3.27Å; T365-N368 PolarHBondContact OG1-N 2.74Å; T365-N368 VanDerWaalsContact OG1-N 3.09Å; T365-N368 PolarHBondContact OG1-OD1 3.46Å; T365-N368 VanDerWaalsContact OG1-OD1 3.12Å; T365-I369 WeakPolarHBondContact O-CG1 3.38Å; T365-I369 PolarHBondContact O-N 2.82Å; T365-I369 VanDerWaalsContact O-N 3.08Å
366	E	89.7	Confident	91.9	Very high	116 Å²	116	44.2 Å²	44.2	54%	0.542	23%	0.23	S	C	.	.	H	α-helix	trans	-58.2	-31.5	170.2	-73.2	-64.6	146.3	0	0	111.8	I369 N370	E366-I369 PolarHBondContact O-N 3.04Å; E366-N370 VanDerWaalsContact O-CG 3.28Å; E366-N370 PolarHBondContact O-N 3.34Å; E366-N370 PolarHBondContact O-ND2 3.19Å; E366-N370 VanDerWaalsContact O-ND2 3.16Å
367	E	92.6	Very high	91.9	Very high	134 Å²	134	47.7 Å²	47.7	63%	0.626	24%	0.243	S	C	*	.	H	α-helix	trans	-63.6	-45.9	173.1	-173.6	-179.5	179.9	0	0	111.6	T365 I369 N370 N371	T365-E367 PolarHBondContact O-N 3.32Å; T365-E367 PolarHBondContact OG1-N 2.94Å; E367-I369 VanDerWaalsContact C-N 3.25Å; E367-I369 PolarHBondContact O-N 3.37Å; E367-N370 PolarHBondContact O-N 3.21Å; E367-N371 WeakPolarHBondContact O-CB 3.44Å; E367-N371 PolarHBondContact O-N 3.19Å; E367-N371 PolarHBondContact O-OD1 3.38Å
368	N	91.6	Very high	92	Very high	33 Å²	33	51.1 Å²	51.1	18%	0.176	26%	0.264	C	S	.	.	H	α-helix	trans	-61.1	-37.4	175.5	-59.2	142.5	0	0	0	112.1	F364 T365 L372	F364-N368 HydrophobicContact CB-CB 4.3Å; F364-N368 HydrophobicContact CD1-CB 4.44Å; F364-N368 HydrophobicContact CG-CB 4.22Å; T365-N368 PolarHBondContact N-OD1 2.98Å; T365-N368 VanDerWaalsContact N-OD1 3.09Å; T365-N368 PolarHBondContact O-N 3.13Å; T365-N368 VanDerWaalsContact O-N 3.11Å; T365-N368 VanDerWaalsContact OG1-CG 3.27Å; T365-N368 PolarHBondContact OG1-N 2.74Å; T365-N368 VanDerWaalsContact OG1-N 3.09Å; T365-N368 PolarHBondContact OG1-OD1 3.46Å; T365-N368 VanDerWaalsContact OG1-OD1 3.12Å; N368-L372 VanDerWaalsContact O-CB 3.32Å; N368-L372 WeakPolarHBondContact O-CB 3.41Å; N368-L372 PolarHBondContact O-N 3.49Å
369	I	92.5	Very high	92.2	Very high	6 Å²	6	50.6 Å²	50.6	3%	0.031	26%	0.262	C	S	.	.	H	α-helix	trans	-64.4	-47.8	176.3	-68.2	165	0	0	0	110.2	T361 F364 T365 E366 E367 L372 L373 I397	T361-I369 HydrophobicContact CG2-CD1 4.45Å; F364-I369 HydrophobicContact CB-CD1 4.47Å; F364-I369 HydrophobicContact CB-CG1 4.18Å; F364-I369 HydrophobicContact CD1-CG1 3.99Å; T365-I369 WeakPolarHBondContact O-CG1 3.38Å; T365-I369 PolarHBondContact O-N 2.82Å; T365-I369 VanDerWaalsContact O-N 3.08Å; E366-I369 PolarHBondContact O-N 3.04Å; E367-I369 VanDerWaalsContact C-N 3.25Å; E367-I369 PolarHBondContact O-N 3.37Å; I369-L372 PolarHBondContact O-N 2.88Å; I369-L373 HydrophobicContact CG2-CD1 4.29Å; I369-L373 WeakPolarHBondContact O-CG 3.37Å; I369-L373 PolarHBondContact O-N 3.12Å; I369-I397 HydrophobicContact CD1-CD1 4.24Å; I369-I397 HydrophobicContact CD1-CG2 4.21Å; I369-I397 HydrophobicContact CG2-CD1 3.46Å; I369-I397 VanDerWaalsContact CG2-CD1 3.46Å; I369-I397 HydrophobicContact CG2-CG1 4.44Å
370	N	95.4	Very high	92.4	Very high	78 Å²	78	51 Å²	51	42%	0.417	26%	0.263	S	S	.	.	H	α-helix	trans	-63.8	-45	179.5	-70.3	-32.3	0	0	0	112	E366 E367 L372 L373 D374	E366-N370 VanDerWaalsContact O-CG 3.28Å; E366-N370 PolarHBondContact O-N 3.34Å; E366-N370 PolarHBondContact O-ND2 3.19Å; E366-N370 VanDerWaalsContact O-ND2 3.16Å; E367-N370 PolarHBondContact O-N 3.21Å; N370-L372 PolarHBondContact O-N 2.87Å; N370-L373 WeakPolarHBondContact O-CB 3.37Å; N370-L373 PolarHBondContact O-N 3.14Å; N370-L373 VanDerWaalsContact O-N 3.12Å; N370-D374 PolarHBondContact O-N 3.18Å
371	N	96.1	Very high	92.8	Very high	25 Å²	25	55.4 Å²	55.4	13%	0.134	28%	0.284	C	S	.	.	H	α-helix	trans	-58	-40.6	174.4	-64.9	-4.6	0	0	0	110.5	Q324 L325 E367 L373 D374 E375	Q324-N371 HydrophobicContact CB-CB 4.32Å; Q324-N371 PolarHBondContact O-ND2 3.22Å; L325-N371 HydrophobicContact CD2-CB 3.76Å; E367-N371 WeakPolarHBondContact O-CB 3.44Å; E367-N371 PolarHBondContact O-N 3.19Å; E367-N371 PolarHBondContact O-OD1 3.38Å; N371-L373 PolarHBondContact O-N 2.87Å; N371-D374 PolarHBondContact O-N 2.96Å; N371-E375 WeakPolarHBondContact O-CB 3.36Å; N371-E375 WeakPolarHBondContact O-CG 3.21Å; N371-E375 PolarHBondContact O-N 2.93Å
372	L	96	Very high	93.4	Very high	0 Å²	0	60 Å²	60	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-67.1	-39	178.5	175.2	58.3	0	0	0	112	F313 L325 L328 W340 I359 F364 N368 I369 N370 D374 L376 L395	F313-L372 HydrophobicContact CE1-CD1 4Å; F313-L372 HydrophobicContact CZ-CD1 3.92Å; L325-L372 HydrophobicContact CD1-CD1 4.05Å; L325-L372 HydrophobicContact CD2-CB 3.93Å; L328-L372 HydrophobicContact CD1-CD1 4.27Å; L328-L372 HydrophobicContact CD1-CD2 4.38Å; W340-L372 HydrophobicContact CH2-CD1 3.74Å; W340-L372 HydrophobicContact CH2-CD2 3.99Å; W340-L372 HydrophobicContact CZ3-CD2 4.17Å; I359-L372 HydrophobicContact CD1-CD2 3.9Å; F364-L372 HydrophobicContact CE1-CD2 4.07Å; N368-L372 VanDerWaalsContact O-CB 3.32Å; N368-L372 WeakPolarHBondContact O-CB 3.41Å; N368-L372 PolarHBondContact O-N 3.49Å; I369-L372 PolarHBondContact O-N 2.88Å; N370-L372 PolarHBondContact O-N 2.87Å; L372-D374 VanDerWaalsContact C-N 3.31Å; L372-L376 HydrophobicContact CD1-CD1 3.96Å; L372-L376 HydrophobicContact CD1-CG 4.02Å; L372-L376 HydrophobicContact CG-CD1 4.03Å; L372-L376 VanDerWaalsContact O-CB 3.32Å; L372-L376 WeakPolarHBondContact O-CB 3.07Å; L372-L376 VanDerWaalsContact O-CG 3.3Å; L372-L376 WeakPolarHBondContact O-CG 3.46Å; L372-L376 PolarHBondContact O-N 3.08Å; L372-L395 HydrophobicContact CD2-CD1 4.32Å; L372-L395 HydrophobicContact CD2-CD2 3.97Å; L372-L395 HydrophobicContact CG-CD2 4.3Å
373	L	96.6	Very high	94.1	Very high	14 Å²	14	52.6 Å²	52.6	7%	0.073	29%	0.289	C	S	.	.	H	α-helix	trans	-61.3	-42.1	173.4	-66.8	171.7	0	0	0	111	I369 N370 N371 R377 L395 R411 V413	I369-L373 HydrophobicContact CG2-CD1 4.29Å; I369-L373 WeakPolarHBondContact O-CG 3.37Å; I369-L373 PolarHBondContact O-N 3.12Å; N370-L373 WeakPolarHBondContact O-CB 3.37Å; N370-L373 PolarHBondContact O-N 3.14Å; N370-L373 VanDerWaalsContact O-N 3.12Å; N371-L373 PolarHBondContact O-N 2.87Å; L373-R377 WeakPolarHBondContact O-CB 3.42Å; L373-R377 PolarHBondContact O-N 2.99Å; L373-L395 HydrophobicContact CD2-CB 3.83Å; L373-L395 HydrophobicContact CD2-CD2 3.77Å; L373-L395 HydrophobicContact CD2-CG 4.48Å; L373-L395 HydrophobicContact CG-CD2 4.33Å; L373-R411 HydrophobicContact CD1-CB 4.25Å; L373-R411 HydrophobicContact CD2-CB 4.06Å; L373-V413 HydrophobicContact CD2-CG2 3.77Å; L373-V413 WeakPolarHBondContact O-CG1 3.4Å
374	D	97.3	Very high	94.9	Very high	74 Å²	74	53.8 Å²	53.8	40%	0.396	28%	0.284	S	S	.	.	H	α-helix	trans	-71.2	-40.1	-178.4	-69.7	-15.6	0	0	0	112.4	N370 N371 L372 R377 T378	N370-D374 PolarHBondContact O-N 3.18Å; N371-D374 PolarHBondContact O-N 2.96Å; L372-D374 VanDerWaalsContact C-N 3.31Å; D374-R377 PolarHBondContact O-N 2.96Å; D374-R377 IonicContact OD1-CZ 3.81Å; D374-R377 IonicContact OD1-NH1 2.66Å; D374-R377 PolarHBondContact OD1-NH1 3.03Å; D374-T378 WeakPolarHBondContact O-CB 3.32Å; D374-T378 PolarHBondContact O-N 3.18Å; D374-T378 PolarHBondContact O-OG1 3.4Å
375	E	97.3	Very high	95.5	Very high	35 Å²	35	52.1 Å²	52.1	16%	0.164	28%	0.277	C	S	.	.	H	α-helix	trans	-66.4	-43.3	174.7	-70.3	-61.1	169.4	0	0	111.9	F313 F322 L325 N371 R377 T378 W379	F313-E375 HydrophobicContact CE2-CB 4.16Å; F313-E375 HydrophobicContact CZ-CB 4.25Å; F322-E375 HydrophobicContact CD1-CB 4.42Å; F322-E375 HydrophobicContact CD1-CG 4.09Å; F322-E375 VanDerWaalsContact CD1-OE2 3.26Å; F322-E375 WeakPolarHBondContact CD1-OE2 3.38Å; F322-E375 WeakPolarHBondContact CE1-OE2 3.41Å; L325-E375 HydrophobicContact CD1-CB 3.97Å; L325-E375 HydrophobicContact CD1-CG 3.77Å; L325-E375 HydrophobicContact CG-CG 4.19Å; N371-E375 WeakPolarHBondContact O-CB 3.36Å; N371-E375 WeakPolarHBondContact O-CG 3.21Å; N371-E375 PolarHBondContact O-N 2.93Å; E375-R377 VanDerWaalsContact C-N 3.31Å; E375-R377 PolarHBondContact O-N 2.84Å; E375-T378 PolarHBondContact O-N 3.35Å; E375-W379 VanDerWaalsContact O-CB 3.29Å; E375-W379 WeakPolarHBondContact O-CB 3.27Å; E375-W379 PolarHBondContact O-N 2.86Å
376	L	97.9	Very high	95.8	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-60.5	-42.5	173	-79.5	168.5	0	0	0	111.4	L310 F313 L357 L372 F380 L393 L395 V413	L310-L376 HydrophobicContact CD1-CD2 4.48Å; F313-L376 HydrophobicContact CD1-CD2 3.6Å; F313-L376 HydrophobicContact CD2-CD2 4.5Å; F313-L376 HydrophobicContact CE1-CD2 3.27Å; F313-L376 HydrophobicContact CE1-CG 3.78Å; F313-L376 HydrophobicContact CE2-CD2 4.23Å; F313-L376 HydrophobicContact CE2-CG 4.49Å; F313-L376 HydrophobicContact CG-CD2 4.22Å; F313-L376 HydrophobicContact CZ-CD2 3.62Å; F313-L376 HydrophobicContact CZ-CG 3.73Å; L357-L376 HydrophobicContact CD2-CD1 4.21Å; L357-L376 HydrophobicContact CD2-CD2 4.32Å; L372-L376 HydrophobicContact CD1-CD1 3.96Å; L372-L376 HydrophobicContact CD1-CG 4.02Å; L372-L376 HydrophobicContact CG-CD1 4.03Å; L372-L376 VanDerWaalsContact O-CB 3.32Å; L372-L376 WeakPolarHBondContact O-CB 3.07Å; L372-L376 VanDerWaalsContact O-CG 3.3Å; L372-L376 WeakPolarHBondContact O-CG 3.46Å; L372-L376 PolarHBondContact O-N 3.08Å; L376-F380 HydrophobicContact CD2-CE2 4.22Å; L376-F380 WeakPolarHBondContact O-CD2 3.29Å; L376-F380 PolarHBondContact O-N 2.74Å; L376-L393 HydrophobicContact CB-CD2 4.11Å; L376-L393 HydrophobicContact CD2-CD2 4.28Å; L376-L395 HydrophobicContact CD1-CD1 4.22Å; L376-V413 HydrophobicContact CB-CG1 3.93Å; L376-V413 HydrophobicContact CB-CG2 4.44Å; L376-V413 HydrophobicContact CD1-CG2 4.34Å
377	R	98.2	Very high	96	Very high	73 Å²	73	52.7 Å²	52.7	28%	0.275	29%	0.286	S	S	.	.	H	α-helix	trans	-62.6	-48.9	178.1	-171.2	176.7	-56.6	102.8	3.4	110.6	L373 D374 E375 F380 Q381 V413 F414	L373-R377 WeakPolarHBondContact O-CB 3.42Å; L373-R377 PolarHBondContact O-N 2.99Å; D374-R377 PolarHBondContact O-N 2.96Å; D374-R377 IonicContact OD1-CZ 3.81Å; D374-R377 IonicContact OD1-NH1 2.66Å; D374-R377 PolarHBondContact OD1-NH1 3.03Å; E375-R377 VanDerWaalsContact C-N 3.31Å; E375-R377 PolarHBondContact O-N 2.84Å; R377-F380 PolarHBondContact O-N 2.94Å; R377-Q381 HydrophobicContact CG-CG 4.23Å; R377-Q381 VanDerWaalsContact O-CB 3.25Å; R377-Q381 WeakPolarHBondContact O-CB 3.14Å; R377-Q381 WeakPolarHBondContact O-CG 3.46Å; R377-Q381 PolarHBondContact O-N 3.22Å; R377-V413 HydrophobicContact CB-CG1 3.75Å; R377-V413 HydrophobicContact CG-CG1 4.5Å; R377-V413 PolarHBondContact NE-O 2.86Å; R377-V413 PolarHBondContact NH2-O 3Å; R377-F414 HydrophobicContact CG-CD1 4.41Å
378	T	97.5	Very high	96.2	Very high	71 Å²	71	46.6 Å²	46.6	44%	0.436	26%	0.258	S	S	.	.	H	α-helix	trans	-60.4	-49.4	179.3	-58.9	0	0	0	0	110.6	D374 E375 F380 Q381 T382 G383	D374-T378 WeakPolarHBondContact O-CB 3.32Å; D374-T378 PolarHBondContact O-N 3.18Å; D374-T378 PolarHBondContact O-OG1 3.4Å; E375-T378 PolarHBondContact O-N 3.35Å; T378-F380 VanDerWaalsContact C-N 3.33Å; T378-F380 PolarHBondContact O-N 3.17Å; T378-Q381 PolarHBondContact O-N 3.04Å; T378-T382 PolarHBondContact O-N 3.33Å; T378-T382 PolarHBondContact O-OG1 3.11Å; T378-G383 PolarHBondContact O-N 2.94Å
379	W	98.1	Very high	96.3	Very high	31 Å²	31	46.8 Å²	46.8	12%	0.117	27%	0.269	C	S	.	.	H	α-helix	trans	-54.3	-45.5	-179.9	-175.3	-91.2	0	0	0	113.5	A309 N312 F313 F322 E375 G383 P384 G385	A309-W379 PolarHBondContact O-NE1 2.59Å; N312-W379 HydrophobicContact CB-CH2 4.4Å; N312-W379 HydrophobicContact CB-CZ2 3.78Å; F313-W379 HydrophobicContact CB-CD2 4Å; F313-W379 HydrophobicContact CB-CG 4.16Å; F313-W379 HydrophobicContact CB-CZ2 4.17Å; F313-W379 HydrophobicContact CD2-CB 3.77Å; F313-W379 AromaticContact CD2-CD2 3.63Å; F313-W379 HydrophobicContact CD2-CD2 3.63Å; F313-W379 AromaticContact CD2-CE3 3.87Å; F313-W379 HydrophobicContact CD2-CE3 3.87Å; F313-W379 AromaticContact CD2-CG 3.58Å; F313-W379 HydrophobicContact CD2-CG 3.58Å; F313-W379 HydrophobicContact CE2-CB 4.15Å; F313-W379 HydrophobicContact CE2-CG 4.43Å; F313-W379 HydrophobicContact CG-CD2 4.3Å; F313-W379 HydrophobicContact CG-CG 4.24Å; F322-W379 HydrophobicContact CE1-CE3 4.39Å; F322-W379 AromaticContact CZ-CE3 3.92Å; F322-W379 HydrophobicContact CZ-CE3 3.92Å; F322-W379 HydrophobicContact CZ-CZ3 4.06Å; E375-W379 VanDerWaalsContact O-CB 3.29Å; E375-W379 WeakPolarHBondContact O-CB 3.27Å; E375-W379 PolarHBondContact O-N 2.86Å; W379-G383 CarbonylContact O-C 3.35Å; W379-G383 VanDerWaalsContact O-C 3.25Å; W379-G383 WeakPolarHBondContact O-CA 3.2Å; W379-G383 PolarHBondContact O-N 3.43Å; W379-P384 HydrophobicContact CE3-CG 4.16Å; W379-P384 HydrophobicContact CH2-CB 4.03Å; W379-P384 HydrophobicContact CH2-CG 3.88Å; W379-P384 HydrophobicContact CZ2-CB 3.94Å; W379-P384 HydrophobicContact CZ2-CG 4.24Å; W379-P384 HydrophobicContact CZ3-CB 4.42Å; W379-P384 HydrophobicContact CZ3-CG 3.83Å; W379-G385 WeakPolarHBondContact O-CA 3.38Å; W379-G385 PolarHBondContact O-N 2.96Å
380	F	98.4	Very high	96.5	Very high	9 Å²	9	47.4 Å²	47.4	4%	0.039	27%	0.272	C	S	.	.	H	α-helix	trans	-93.1	-14.7	-174.5	-78.5	-76.5	0	0	0	115	A309 L310 L376 R377 T378 S386 L390 L393 F414	A309-F380 HydrophobicContact CB-CE1 3.8Å; A309-F380 HydrophobicContact CB-CZ 4.39Å; L310-F380 HydrophobicContact CB-CZ 3.96Å; L310-F380 HydrophobicContact CD1-CE2 4.02Å; L310-F380 HydrophobicContact CD1-CZ 4.04Å; L376-F380 HydrophobicContact CD2-CE2 4.22Å; L376-F380 WeakPolarHBondContact O-CD2 3.29Å; L376-F380 PolarHBondContact O-N 2.74Å; R377-F380 PolarHBondContact O-N 2.94Å; T378-F380 VanDerWaalsContact C-N 3.33Å; T378-F380 PolarHBondContact O-N 3.17Å; F380-S386 WeakPolarHBondContact O-CA 3.42Å; F380-L390 HydrophobicContact CB-CD2 4.36Å; F380-L390 HydrophobicContact CD1-CB 4.18Å; F380-L390 HydrophobicContact CD1-CD2 3.5Å; F380-L390 VanDerWaalsContact CD1-CD2 3.5Å; F380-L390 HydrophobicContact CD1-CG 4.48Å; F380-L390 HydrophobicContact CD2-CD2 4.21Å; F380-L390 HydrophobicContact CE1-CD2 3.7Å; F380-L390 HydrophobicContact CE2-CD2 4.39Å; F380-L390 HydrophobicContact CG-CD2 3.77Å; F380-L390 HydrophobicContact CZ-CD2 4.15Å; F380-L393 HydrophobicContact CD2-CD2 3.67Å; F380-L393 HydrophobicContact CE2-CD2 4.04Å; F380-L393 HydrophobicContact CG-CD2 4.41Å; F380-F414 HydrophobicContact CB-CE1 3.74Å; F380-F414 HydrophobicContact CB-CZ 3.8Å
381	Q	96.6	Very high	96.7	Very high	102 Å²	102	46 Å²	46	48%	0.477	27%	0.266	S	S	.	.	H	α-helix	trans	-102.1	-37.7	178	-65.9	-167.1	-44.2	0	0	113.1	R377 T378 S386 F414	R377-Q381 HydrophobicContact CG-CG 4.23Å; R377-Q381 VanDerWaalsContact O-CB 3.25Å; R377-Q381 WeakPolarHBondContact O-CB 3.14Å; R377-Q381 WeakPolarHBondContact O-CG 3.46Å; R377-Q381 PolarHBondContact O-N 3.22Å; T378-Q381 PolarHBondContact O-N 3.04Å; Q381-S386 WeakPolarHBondContact O-CB 3.33Å; Q381-F414 HydrophobicContact CG-CD1 4.08Å; Q381-F414 HydrophobicContact CG-CE1 4.19Å; Q381-F414 HydrophobicContact CG-CG 4.4Å
382	T	96.5	Very high	96.8	Very high	112 Å²	112	44.9 Å²	44.9	69%	0.687	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129.3	-17.1	-175.1	55.7	0	0	0	0	113.6	T378	T378-T382 PolarHBondContact O-N 3.33Å; T378-T382 PolarHBondContact O-OG1 3.11Å
383	G	96.1	Very high	96.9	Very high	20 Å²	20	44.9 Å²	44.9	21%	0.206	26%	0.26	C	S	.	.	S	Bend	trans	-90.9	-160.3	-176.8	0	0	0	0	0	114.5	T378 W379 G385 S386	T378-G383 PolarHBondContact O-N 2.94Å; W379-G383 CarbonylContact O-C 3.35Å; W379-G383 VanDerWaalsContact O-C 3.25Å; W379-G383 WeakPolarHBondContact O-CA 3.2Å; W379-G383 PolarHBondContact O-N 3.43Å; G383-G385 PolarHBondContact O-N 3.5Å; G383-G385 VanDerWaalsContact O-N 3.09Å; G383-S386 VanDerWaalsContact O-CB 3.27Å; G383-S386 WeakPolarHBondContact O-CB 3.41Å; G383-S386 PolarHBondContact O-N 3.31Å; G383-S386 PolarHBondContact O-OG 3.24Å
384	P	95	Very high	96.9	Very high	91 Å²	91	44.9 Å²	44.9	59%	0.591	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-16	-175.7	-24.1	34.9	0	0	0	115.4	W379	W379-P384 HydrophobicContact CE3-CG 4.16Å; W379-P384 HydrophobicContact CH2-CB 4.03Å; W379-P384 HydrophobicContact CH2-CG 3.88Å; W379-P384 HydrophobicContact CZ2-CB 3.94Å; W379-P384 HydrophobicContact CZ2-CG 4.24Å; W379-P384 HydrophobicContact CZ3-CB 4.42Å; W379-P384 HydrophobicContact CZ3-CG 3.83Å
385	G	96.3	Very high	96.9	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.6	1.6	176.6	0	0	0	0	0	114.4	W379 G383 D387 S388	W379-G385 WeakPolarHBondContact O-CA 3.38Å; W379-G385 PolarHBondContact O-N 2.96Å; G383-G385 PolarHBondContact O-N 3.5Å; G383-G385 VanDerWaalsContact O-N 3.09Å; G385-D387 VanDerWaalsContact C-N 3.29Å; G385-D387 PolarHBondContact O-N 2.89Å; G385-S388 WeakPolarHBondContact O-CB 3.22Å; G385-S388 PolarHBondContact O-N 2.89Å; G385-S388 VanDerWaalsContact O-N 3.12Å; G385-S388 PolarHBondContact O-OG 2.89Å
386	S	95.7	Very high	96.6	Very high	64 Å²	64	39.7 Å²	39.7	45%	0.448	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-63.7	-27.9	-174.1	56.6	0	0	0	0	114.8	F380 Q381 G383 S388	F380-S386 WeakPolarHBondContact O-CA 3.42Å; Q381-S386 WeakPolarHBondContact O-CB 3.33Å; G383-S386 VanDerWaalsContact O-CB 3.27Å; G383-S386 WeakPolarHBondContact O-CB 3.41Å; G383-S386 PolarHBondContact O-N 3.31Å; G383-S386 PolarHBondContact O-OG 3.24Å; S386-S388 VanDerWaalsContact C-N 3.34Å
387	D	95.1	Very high	95.9	Very high	135 Å²	135	40.9 Å²	40.9	72%	0.722	24%	0.239	S	C	*	.	G	3₁₀ helix	trans	-89.6	3.2	177.7	70.2	-22.6	0	0	0	113.4	G385 G389	G385-D387 VanDerWaalsContact C-N 3.29Å; G385-D387 PolarHBondContact O-N 2.89Å; D387-G389 PolarHBondContact O-N 2.82Å
388	S	95.3	Very high	94.6	Very high	5 Å²	5	37.8 Å²	37.8	4%	0.035	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-69.4	-18.5	-178.1	67	0	0	0	0	114.2	N302 V306 G385 S386	N302-S388 PolarHBondContact OD1-O 2.96Å; V306-S388 VanDerWaalsContact CG2-O 3.31Å; V306-S388 WeakPolarHBondContact CG2-O 3.44Å; G385-S388 WeakPolarHBondContact O-CB 3.22Å; G385-S388 PolarHBondContact O-N 2.89Å; G385-S388 VanDerWaalsContact O-N 3.12Å; G385-S388 PolarHBondContact O-OG 2.89Å; S386-S388 VanDerWaalsContact C-N 3.34Å
389	G	94.1	Very high	92.6	Very high	38 Å²	38	38.3 Å²	38.3	39%	0.392	24%	0.235	S	C	.	.			trans	77.9	15.3	-176.6	0	0	0	0	0	114.5	D387 T391	D387-G389 PolarHBondContact O-N 2.82Å; G389-T391 PolarHBondContact O-N 3.35Å
390	L	98.1	Very high	90.5	Very high	18 Å²	18	45 Å²	45	9%	0.094	26%	0.26	C	S	.	.			trans	-66.8	122.2	176.5	-178.1	59.4	0	0	0	111	V306 T353 V355 F380 S392 L393 F414	V306-L390 HydrophobicContact CG1-CB 4.36Å; V306-L390 HydrophobicContact CG1-CD1 3.85Å; V306-L390 HydrophobicContact CG1-CD2 4.37Å; V306-L390 HydrophobicContact CG1-CG 4.44Å; V306-L390 HydrophobicContact CG2-CB 4.13Å; T353-L390 HydrophobicContact CG2-CD1 4.19Å; T353-L390 WeakPolarHBondContact O-CD1 3.42Å; V355-L390 HydrophobicContact CB-CD1 3.97Å; V355-L390 HydrophobicContact CG2-CD1 3.59Å; F380-L390 HydrophobicContact CB-CD2 4.36Å; F380-L390 HydrophobicContact CD1-CB 4.18Å; F380-L390 HydrophobicContact CD1-CD2 3.5Å; F380-L390 VanDerWaalsContact CD1-CD2 3.5Å; F380-L390 HydrophobicContact CD1-CG 4.48Å; F380-L390 HydrophobicContact CD2-CD2 4.21Å; F380-L390 HydrophobicContact CE1-CD2 3.7Å; F380-L390 HydrophobicContact CE2-CD2 4.39Å; F380-L390 HydrophobicContact CG-CD2 3.77Å; F380-L390 HydrophobicContact CZ-CD2 4.15Å; L390-S392 WeakPolarHBondContact CD1-O 3.16Å; L390-L393 HydrophobicContact CD2-CB 3.96Å; L390-L393 HydrophobicContact CD2-CD1 4.3Å; L390-L393 HydrophobicContact CD2-CD2 4.18Å; L390-L393 HydrophobicContact CD2-CG 4.37Å; L390-F414 HydrophobicContact CD2-CZ 3.91Å; L390-F414 HydrophobicContact CG-CE2 4.3Å; L390-F414 HydrophobicContact CG-CZ 3.97Å
391	T	98	Very high	88.2	Confident	49 Å²	49	46.4 Å²	46.4	30%	0.301	27%	0.271	S	S	.	.			trans	-95.9	-32.6	-178.4	70.8	0	0	0	0	112.9	T353 G389 G415	T353-T391 PolarHBondContact N-OG1 3.36Å; T353-T391 PolarHBondContact O-N 2.82Å; T353-T391 PolarHBondContact O-OG1 2.89Å; G389-T391 PolarHBondContact O-N 3.35Å; T391-G415 VanDerWaalsContact O-CA 3.29Å; T391-G415 WeakPolarHBondContact O-CA 3.34Å
392	S	98.3	Very high	85.9	Confident	2 Å²	2	45.5 Å²	45.5	1%	0.014	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	133	-178.2	-53.2	0	0	0	0	112.5	T353 L354 V355 L390 K416	T353-S392 PolarHBondContact O-N 3.41Å; L354-S392 CarbonylContact C-O 3.51Å; L354-S392 WeakPolarHBondContact CA-O 3.28Å; V355-S392 PolarHBondContact N-O 3.03Å; L390-S392 WeakPolarHBondContact CD1-O 3.16Å; S392-K416 WeakPolarHBondContact CB-O 3.46Å; S392-K416 PolarHBondContact OG-N 3.06Å; S392-K416 PolarHBondContact OG-O 2.9Å
393	L	98.5	Very high	83.5	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	129	-179.6	-179.7	59.6	0	0	0	110.9	V355 L376 F380 L390 V413 F414	V355-L393 HydrophobicContact CB-CD1 3.79Å; V355-L393 HydrophobicContact CG1-CD1 3.61Å; V355-L393 WeakPolarHBondContact O-CA 3.45Å; L376-L393 HydrophobicContact CB-CD2 4.11Å; L376-L393 HydrophobicContact CD2-CD2 4.28Å; F380-L393 HydrophobicContact CD2-CD2 3.67Å; F380-L393 HydrophobicContact CE2-CD2 4.04Å; F380-L393 HydrophobicContact CG-CD2 4.41Å; L390-L393 HydrophobicContact CD2-CB 3.96Å; L390-L393 HydrophobicContact CD2-CD1 4.3Å; L390-L393 HydrophobicContact CD2-CD2 4.18Å; L390-L393 HydrophobicContact CD2-CG 4.37Å; L393-V413 HydrophobicContact CB-CB 4.04Å; L393-V413 HydrophobicContact CB-CG2 4.39Å; L393-V413 HydrophobicContact CD2-CB 4.08Å; L393-V413 HydrophobicContact CD2-CG1 4.09Å; L393-V413 HydrophobicContact CD2-CG2 4.08Å; L393-V413 HydrophobicContact CG-CB 3.91Å; L393-V413 HydrophobicContact CG-CG1 4.47Å; L393-V413 HydrophobicContact CG-CG2 3.77Å; L393-V413 WeakPolarHBondContact O-CA 3.27Å; L393-V413 VanDerWaalsContact O-CB 3.3Å; L393-V413 WeakPolarHBondContact O-CB 3.33Å; L393-V413 PolarHBondContact O-N 3.3Å; L393-F414 HydrophobicContact CB-CD1 4.17Å; L393-F414 HydrophobicContact CB-CE1 3.71Å; L393-F414 HydrophobicContact CB-CE2 4.37Å; L393-F414 HydrophobicContact CB-CZ 3.83Å; L393-F414 HydrophobicContact CD2-CE1 3.94Å; L393-F414 HydrophobicContact CG-CE1 4.47Å; L393-F414 PolarHBondContact N-O 2.98Å; L393-F414 PolarHBondContact O-N 2.99Å
394	Y	97.4	Very high	81.2	Confident	13 Å²	13	53.9 Å²	53.9	5%	0.051	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	147	177.5	-73.3	-101.9	0	0	0	110.8	V355 V356 L357 L410 R411 Q412 K416 P417 I432	V355-Y394 PolarHBondContact O-N 2.68Å; V356-Y394 CarbonylContact C-O 3.58Å; V356-Y394 WeakPolarHBondContact CA-O 3.36Å; L357-Y394 PolarHBondContact N-O 3.13Å; Y394-L410 HydrophobicContact CD1-CB 4.26Å; Y394-R411 CarbonylContact C-O 3.58Å; Y394-R411 WeakPolarHBondContact CA-O 3.49Å; Y394-Q412 HydrophobicContact CD1-CB 4.11Å; Y394-Q412 HydrophobicContact CE1-CB 3.6Å; Y394-Q412 HydrophobicContact CE1-CG 3.89Å; Y394-Q412 HydrophobicContact CE2-CG 4.43Å; Y394-K416 WeakPolarHBondContact CE2-O 3.42Å; Y394-K416 VanDerWaalsContact OH-C 3.24Å; Y394-P417 HydrophobicContact CE1-CB 4.46Å; Y394-P417 VanDerWaalsContact OH-CA 3.24Å; Y394-P417 WeakPolarHBondContact OH-CA 3.45Å; Y394-P417 WeakPolarHBondContact OH-CB 3.38Å; Y394-P417 WeakPolarHBondContact OH-CD 3.44Å; Y394-I432 HydrophobicContact CD1-CD1 3.94Å; Y394-I432 HydrophobicContact CD2-CD1 3.76Å; Y394-I432 HydrophobicContact CE1-CD1 4.11Å; Y394-I432 HydrophobicContact CE2-CD1 3.97Å; Y394-I432 HydrophobicContact CG-CD1 3.78Å
395	L	95.8	Very high	79.3	Confident	0 Å²	0	53 Å²	53	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	122.5	172.2	-171.3	70.2	0	0	0	108.6	L357 I359 L372 L373 L376 I397 R411 V413	L357-L395 HydrophobicContact CB-CD1 4.12Å; L357-L395 HydrophobicContact CD2-CD1 4.11Å; L357-L395 HydrophobicContact CG-CD1 4.09Å; L357-L395 CarbonylContact O-C 3.25Å; L357-L395 WeakPolarHBondContact O-CA 3.47Å; I359-L395 HydrophobicContact CD1-CD1 3.91Å; I359-L395 HydrophobicContact CD1-CD2 3.83Å; I359-L395 HydrophobicContact CD1-CG 4Å; I359-L395 HydrophobicContact CG1-CD1 3.99Å; I359-L395 HydrophobicContact CG1-CG 4.2Å; I359-L395 HydrophobicContact CG2-CD1 3.85Å; L372-L395 HydrophobicContact CD2-CD1 4.32Å; L372-L395 HydrophobicContact CD2-CD2 3.97Å; L372-L395 HydrophobicContact CG-CD2 4.3Å; L373-L395 HydrophobicContact CD2-CB 3.83Å; L373-L395 HydrophobicContact CD2-CD2 3.77Å; L373-L395 HydrophobicContact CD2-CG 4.48Å; L373-L395 HydrophobicContact CG-CD2 4.33Å; L376-L395 HydrophobicContact CD1-CD1 4.22Å; L395-I397 HydrophobicContact CD2-CG1 4.41Å; L395-I397 HydrophobicContact CG-CG1 4.48Å; L395-R411 PolarHBondContact N-O 2.93Å; L395-R411 PolarHBondContact O-N 2.84Å; L395-V413 HydrophobicContact CB-CG2 4.46Å
396	S	92	Very high	77.5	Confident	1 Å²	1	55.4 Å²	55.4	1%	0.007	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	114.2	172.9	-179.5	0	0	0	0	110	L357 Y358 I359 Q405 D409	L357-S396 PolarHBondContact O-N 2.81Å; Y358-S396 WeakPolarHBondContact CD1-OG 3.47Å; I359-S396 WeakPolarHBondContact CG1-O 3.31Å; I359-S396 PolarHBondContact N-O 3.33Å; I359-S396 VanDerWaalsContact N-O 3.13Å; S396-Q405 PolarHBondContact OG-NE2 3.45Å; S396-D409 WeakPolarHBondContact CA-O 3.45Å
397	I	83.9	Confident	75.9	Confident	25 Å²	25	56.4 Å²	56.4	13%	0.128	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	96.5	-178.7	-58.7	178.1	0	0	0	107.3	T361 I369 L395 D409 R411	T361-I397 HydrophobicContact CG2-CB 4.24Å; T361-I397 HydrophobicContact CG2-CG2 3.55Å; I369-I397 HydrophobicContact CD1-CD1 4.24Å; I369-I397 HydrophobicContact CD1-CG2 4.21Å; I369-I397 HydrophobicContact CG2-CD1 3.46Å; I369-I397 VanDerWaalsContact CG2-CD1 3.46Å; I369-I397 HydrophobicContact CG2-CG1 4.44Å; L395-I397 HydrophobicContact CD2-CG1 4.41Å; L395-I397 HydrophobicContact CG-CG1 4.48Å; I397-D409 PolarHBondContact N-O 2.85Å; I397-R411 HydrophobicContact CD1-CB 4.26Å; I397-R411 HydrophobicContact CD1-CG 3.28Å; I397-R411 HydrophobicContact CG1-CG 4.12Å
398	C	69.3	Low	74.4	Confident	8 Å²	8	57.6 Å²	57.6	5%	0.054	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	112.1	178.7	-167.6	0	0	0	0	110.7	R400 Q405	C398-R400 VanDerWaalsContact C-N 3.33Å; C398-R400 PolarHBondContact SG-O 3.41Å; C398-Q405 HydrophobicContact CB-CG 4.39Å
399	S	55.8	Low	73.7	Confident	82 Å²	82	60 Å²	60	57%	0.573	33%	0.333	S	S	*	.			trans	-79	-16.8	175.5	59.8	0	0	0	0	112.9
400	R	54.6	Low	73.6	Confident	170 Å²	170	59.6 Å²	59.6	64%	0.642	32%	0.322	S	S	*	.	S	Bend	trans	-121.8	119.3	-168.6	-66.5	-179.7	-178.4	-175.1	0.4	112.8	C398 G402 I403	C398-R400 VanDerWaalsContact C-N 3.33Å; C398-R400 PolarHBondContact SG-O 3.41Å; R400-G402 PolarHBondContact O-N 3.18Å; R400-I403 HydrophobicContact CB-CD1 4.16Å
401	S	51	Low	73.4	Confident	40 Å²	40	64.1 Å²	64.1	28%	0.28	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	128.2	171.7	-65	0	0	0	0	111.9	Y336	Y336-S401 WeakPolarHBondContact CE1-OG 3.34Å
402	G	48.1	Very low	73.3	Confident	83 Å²	83	66.7 Å²	66.7	86%	0.856	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	95.7	-1.5	162.1	0	0	0	0	0	117.3	R400	R400-G402 PolarHBondContact O-N 3.18Å
403	I	45	Very low	73.2	Confident	109 Å²	109	66.8 Å²	66.8	56%	0.559	35%	0.347	S	S	*	.	S	Bend	trans	-82	137.5	167.1	-58.9	175.4	0	0	0	107.7	R400 Q405	R400-I403 HydrophobicContact CB-CD1 4.16Å; I403-Q405 PolarHBondContact O-N 3.28Å
404	K	49	Very low	73.2	Confident	198 Å²	198	67.9 Å²	67.9	86%	0.861	35%	0.352	S	S	*	.			trans	-60.1	110.3	170.6	-73.1	-176.7	174	-171.5	0	107	S406	K404-S406 PolarHBondContact O-N 2.96Å
405	Q	53.9	Low	73.2	Confident	74 Å²	74	68.8 Å²	68.8	35%	0.346	37%	0.365	S	S	.	.			trans	-57.4	132.4	-178.5	-80.1	169.8	-29.8	0	0	110.2	Y358 S396 C398 I403	Y358-Q405 VanDerWaalsContact CD1-OE1 3.25Å; S396-Q405 PolarHBondContact OG-NE2 3.45Å; C398-Q405 HydrophobicContact CB-CG 4.39Å; I403-Q405 PolarHBondContact O-N 3.28Å
406	S	58.3	Low	73.2	Confident	49 Å²	49	73.3 Å²	73.3	34%	0.343	39%	0.385	S	S	.	.			trans	-88.2	160.1	169.9	56.6	0	0	0	0	109.5	K404 E408 D409	K404-S406 PolarHBondContact O-N 2.96Å; S406-E408 PolarHBondContact O-N 3.42Å; S406-E408 VanDerWaalsContact O-N 3.1Å; S406-E408 PolarHBondContact OG-OE2 2.91Å; S406-D409 PolarHBondContact O-N 3.03Å
407	D	62.9	Low	73.2	Confident	86 Å²	86	76.6 Å²	76.6	46%	0.46	41%	0.406	S	S	.	.	G	3₁₀ helix	trans	-61.8	-14.8	173.1	-61	-39.6	0	0	0	112	D409 L410 S433	D407-D409 VanDerWaalsContact C-N 3.29Å; D407-D409 PolarHBondContact O-N 3.44Å; D407-L410 WeakPolarHBondContact O-CB 3.47Å; D407-L410 PolarHBondContact O-N 3.4Å; D407-S433 WeakPolarHBondContact OD1-CB 3.24Å; D407-S433 PolarHBondContact OD1-OG 2.72Å; D407-S433 VanDerWaalsContact OD1-OG 3.08Å
408	E	63.4	Low	73.7	Confident	159 Å²	159	78.4 Å²	78.4	74%	0.743	41%	0.412	S	S	*	.	G	3₁₀ helix	trans	-68.3	-24.1	178	-59.1	166.2	163.7	0	0	113.3	S406 L410	S406-E408 PolarHBondContact O-N 3.42Å; S406-E408 VanDerWaalsContact O-N 3.1Å; S406-E408 PolarHBondContact OG-OE2 2.91Å; E408-L410 PolarHBondContact O-N 3.08Å
409	D	81.2	Confident	74.9	Confident	55 Å²	55	78.3 Å²	78.3	29%	0.294	41%	0.411	S	S	.	.	G	3₁₀ helix	trans	-83.4	1.9	179	-70.4	-23.4	0	0	0	112.7	S396 I397 S406 D407	S396-D409 WeakPolarHBondContact CA-O 3.45Å; I397-D409 PolarHBondContact N-O 2.85Å; S406-D409 PolarHBondContact O-N 3.03Å; D407-D409 VanDerWaalsContact C-N 3.29Å; D407-D409 PolarHBondContact O-N 3.44Å
410	L	90.7	Very high	76.8	Confident	30 Å²	30	76.2 Å²	76.2	16%	0.157	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	124.8	-178.8	-61.8	176.5	0	0	0	111.1	V356 Y394 D407 E408 I432	V356-L410 HydrophobicContact CG1-CD2 3.74Å; Y394-L410 HydrophobicContact CD1-CB 4.26Å; D407-L410 WeakPolarHBondContact O-CB 3.47Å; D407-L410 PolarHBondContact O-N 3.4Å; E408-L410 PolarHBondContact O-N 3.08Å; L410-I432 HydrophobicContact CD1-CB 4.4Å; L410-I432 HydrophobicContact CD1-CD1 3.89Å; L410-I432 HydrophobicContact CD1-CG2 4Å
411	R	93.7	Very high	78.8	Confident	114 Å²	114	68.2 Å²	68.2	43%	0.43	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	130.2	166.8	-65	-63	-168.7	-124.3	-0.6	109.8	L373 Y394 L395 I397	L373-R411 HydrophobicContact CD1-CB 4.25Å; L373-R411 HydrophobicContact CD2-CB 4.06Å; Y394-R411 CarbonylContact C-O 3.58Å; Y394-R411 WeakPolarHBondContact CA-O 3.49Å; L395-R411 PolarHBondContact N-O 2.93Å; L395-R411 PolarHBondContact O-N 2.84Å; I397-R411 HydrophobicContact CD1-CB 4.26Å; I397-R411 HydrophobicContact CD1-CG 3.28Å; I397-R411 HydrophobicContact CG1-CG 4.12Å
412	Q	95.9	Very high	81	Confident	103 Å²	103	70.5 Å²	70.5	48%	0.481	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	128.7	175.2	-174.7	-177.6	13.1	0	0	110.1	Y394 G415	Y394-Q412 HydrophobicContact CD1-CB 4.11Å; Y394-Q412 HydrophobicContact CE1-CB 3.6Å; Y394-Q412 HydrophobicContact CE1-CG 3.89Å; Y394-Q412 HydrophobicContact CE2-CG 4.43Å; Q412-G415 PolarHBondContact NE2-O 3.29Å
413	V	97.9	Very high	83.3	Confident	4 Å²	4	66.5 Å²	66.5	2%	0.024	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	-54.9	165.1	-169.9	0	0	0	0	108.5	L373 L376 R377 L393 L395	L373-V413 HydrophobicContact CD2-CG2 3.77Å; L373-V413 WeakPolarHBondContact O-CG1 3.4Å; L376-V413 HydrophobicContact CB-CG1 3.93Å; L376-V413 HydrophobicContact CB-CG2 4.44Å; L376-V413 HydrophobicContact CD1-CG2 4.34Å; R377-V413 HydrophobicContact CB-CG1 3.75Å; R377-V413 HydrophobicContact CG-CG1 4.5Å; R377-V413 PolarHBondContact NE-O 2.86Å; R377-V413 PolarHBondContact NH2-O 3Å; L393-V413 HydrophobicContact CB-CB 4.04Å; L393-V413 HydrophobicContact CB-CG2 4.39Å; L393-V413 HydrophobicContact CD2-CB 4.08Å; L393-V413 HydrophobicContact CD2-CG1 4.09Å; L393-V413 HydrophobicContact CD2-CG2 4.08Å; L393-V413 HydrophobicContact CG-CB 3.91Å; L393-V413 HydrophobicContact CG-CG1 4.47Å; L393-V413 HydrophobicContact CG-CG2 3.77Å; L393-V413 WeakPolarHBondContact O-CA 3.27Å; L393-V413 VanDerWaalsContact O-CB 3.3Å; L393-V413 WeakPolarHBondContact O-CB 3.33Å; L393-V413 PolarHBondContact O-N 3.3Å; L395-V413 HydrophobicContact CB-CG2 4.46Å
414	F	98.3	Very high	85.6	Confident	22 Å²	22	63.5 Å²	63.5	10%	0.096	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.7	172.5	170.9	62.1	-94.6	0	0	0	111.4	R377 F380 Q381 L390 L393	R377-F414 HydrophobicContact CG-CD1 4.41Å; F380-F414 HydrophobicContact CB-CE1 3.74Å; F380-F414 HydrophobicContact CB-CZ 3.8Å; Q381-F414 HydrophobicContact CG-CD1 4.08Å; Q381-F414 HydrophobicContact CG-CE1 4.19Å; Q381-F414 HydrophobicContact CG-CG 4.4Å; L390-F414 HydrophobicContact CD2-CZ 3.91Å; L390-F414 HydrophobicContact CG-CE2 4.3Å; L390-F414 HydrophobicContact CG-CZ 3.97Å; L393-F414 HydrophobicContact CB-CD1 4.17Å; L393-F414 HydrophobicContact CB-CE1 3.71Å; L393-F414 HydrophobicContact CB-CE2 4.37Å; L393-F414 HydrophobicContact CB-CZ 3.83Å; L393-F414 HydrophobicContact CD2-CE1 3.94Å; L393-F414 HydrophobicContact CG-CE1 4.47Å; L393-F414 PolarHBondContact N-O 2.98Å; L393-F414 PolarHBondContact O-N 2.99Å
415	G	97.1	Very high	87.8	Confident	33 Å²	33	57.6 Å²	57.6	34%	0.34	31%	0.312	S	S	.	.	S	Bend	trans	92.8	-151.4	172.4	0	0	0	0	0	114.4	T391 Q412	T391-G415 VanDerWaalsContact O-CA 3.29Å; T391-G415 WeakPolarHBondContact O-CA 3.34Å; Q412-G415 PolarHBondContact NE2-O 3.29Å
416	K	95	Very high	89.9	Confident	95 Å²	95	55.7 Å²	55.7	41%	0.413	30%	0.303	S	S	.	.			trans	-114.4	150.1	-176.9	-62.7	173.6	-173.4	167.7	0	110.7	S392 Y394 Y418	S392-K416 WeakPolarHBondContact CB-O 3.46Å; S392-K416 PolarHBondContact OG-N 3.06Å; S392-K416 PolarHBondContact OG-O 2.9Å; Y394-K416 WeakPolarHBondContact CE2-O 3.42Å; Y394-K416 VanDerWaalsContact OH-C 3.24Å; K416-Y418 HydrophobicContact CB-CD1 4.34Å; K416-Y418 HydrophobicContact CB-CE1 4.22Å; K416-Y418 HydrophobicContact CD-CE2 4.22Å; K416-Y418 PolarHBondContact O-N 3.13Å; K416-Y418 VanDerWaalsContact O-N 3.11Å
417	P	92.5	Very high	91.7	Very high	69 Å²	69	56.1 Å²	56.1	45%	0.448	30%	0.302	S	S	.	.	S	Bend	trans	-79.1	16	178.7	31.7	-33.2	0	0	0	113	Y394 I432	Y394-P417 HydrophobicContact CE1-CB 4.46Å; Y394-P417 VanDerWaalsContact OH-CA 3.24Å; Y394-P417 WeakPolarHBondContact OH-CA 3.45Å; Y394-P417 WeakPolarHBondContact OH-CB 3.38Å; Y394-P417 WeakPolarHBondContact OH-CD 3.44Å; P417-I432 WeakPolarHBondContact O-CG1 3.28Å; P417-I432 PolarHBondContact O-N 3.34Å
418	Y	93.4	Very high	93.3	Very high	64 Å²	64	52 Å²	52	25%	0.251	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	161.3	-178.8	61.7	-91.2	0	0	0	109.7	K416 I420 H429 I430	K416-Y418 HydrophobicContact CB-CD1 4.34Å; K416-Y418 HydrophobicContact CB-CE1 4.22Å; K416-Y418 HydrophobicContact CD-CE2 4.22Å; K416-Y418 PolarHBondContact O-N 3.13Å; K416-Y418 VanDerWaalsContact O-N 3.11Å; Y418-I420 HydrophobicContact CD2-CG1 4.24Å; Y418-I420 HydrophobicContact CE2-CD1 4.33Å; Y418-I420 HydrophobicContact CE2-CG1 4Å; Y418-H429 HydrophobicContact CD2-CB 4.46Å; Y418-H429 AromaticContact CE2-CD2 3.95Å; Y418-H429 AromaticContact CE2-CE1 3.65Å; Y418-H429 AromaticContact CE2-ND1 3.92Å; Y418-H429 AromaticContact CE2-NE2 3.66Å; Y418-H429 AromaticContact CZ-CE1 3.87Å; Y418-I430 WeakPolarHBondContact CA-O 3.23Å; Y418-I430 WeakPolarHBondContact CB-O 3.39Å
419	I	95.7	Very high	94.7	Very high	5 Å²	5	46 Å²	46	3%	0.026	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	155.7	166.4	62.1	177.4	0	0	0	109.7	R346 D352 L354 I430	R346-I419 HydrophobicContact CB-CD1 3.76Å; D352-I419 HydrophobicContact CB-CB 3.75Å; D352-I419 HydrophobicContact CB-CG2 3.69Å; L354-I419 HydrophobicContact CB-CG2 3.51Å; L354-I419 HydrophobicContact CD1-CG2 4.15Å; L354-I419 HydrophobicContact CG-CG2 4.48Å; I419-I430 HydrophobicContact CD1-CD1 4.41Å; I419-I430 HydrophobicContact CG1-CB 3.86Å; I419-I430 HydrophobicContact CG1-CD1 4.32Å; I419-I430 HydrophobicContact CG1-CG2 4.49Å; I419-I430 PolarHBondContact N-O 2.99Å; I419-I430 PolarHBondContact O-N 3.14Å
420	I	95.6	Very high	95.3	Very high	38 Å²	38	43.6 Å²	43.6	20%	0.195	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	114.6	172.1	-55.4	-177.6	0	0	0	108.7	S348 S350 D352 Y418 N427 F428	S348-I420 WeakPolarHBondContact CB-O 3.37Å; S348-I420 PolarHBondContact OG-O 2.91Å; S350-I420 WeakPolarHBondContact CB-O 3.36Å; S350-I420 PolarHBondContact OG-O 3.48Å; D352-I420 PolarHBondContact OD2-N 3.29Å; Y418-I420 HydrophobicContact CD2-CG1 4.24Å; Y418-I420 HydrophobicContact CE2-CD1 4.33Å; Y418-I420 HydrophobicContact CE2-CG1 4Å; I420-N427 HydrophobicContact CG2-CB 4.01Å; I420-F428 CarbonylContact C-O 3.54Å; I420-F428 WeakPolarHBondContact CA-O 3.33Å
421	E	96.3	Very high	95.3	Very high	2 Å²	2	43.7 Å²	43.7	1%	0.009	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	145.1	177.1	180	64.6	-64.4	0	0	111.5	N259 R349 N427 F428 I430 F436 T440	N259-E421 PolarHBondContact ND2-OE2 3.43Å; N259-E421 VanDerWaalsContact ND2-OE2 3.08Å; R349-E421 VanDerWaalsContact CB-OE1 3.22Å; R349-E421 WeakPolarHBondContact CB-OE1 3.36Å; R349-E421 VanDerWaalsContact CG-OE1 3.29Å; R349-E421 WeakPolarHBondContact CG-OE1 3.33Å; R349-E421 PolarHBondContact N-OE1 3.37Å; E421-N427 CarbonylContact O-C 3.53Å; E421-N427 WeakPolarHBondContact O-CA 3.38Å; E421-F428 PolarHBondContact N-O 2.98Å; E421-F428 PolarHBondContact O-N 3.19Å; E421-I430 HydrophobicContact CB-CD1 3.37Å; E421-I430 HydrophobicContact CB-CG1 4.34Å; E421-I430 HydrophobicContact CG-CD1 4.03Å; E421-F436 HydrophobicContact CB-CE1 4.38Å; E421-F436 HydrophobicContact CB-CZ 4.44Å; E421-F436 HydrophobicContact CG-CD1 4.19Å; E421-F436 HydrophobicContact CG-CE1 3.5Å; E421-F436 HydrophobicContact CG-CZ 3.84Å; E421-T440 HydrophobicContact CG-CG2 4.26Å; E421-T440 PolarHBondContact OE2-OG1 3Å
422	Q	96.5	Very high	95.2	Very high	88 Å²	88	38.8 Å²	38.8	41%	0.411	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	119	176.6	-72	-179.7	-12.9	0	0	110.4	R349 L426 T440	R349-Q422 HydrophobicContact CB-CB 4.43Å; R349-Q422 PolarHBondContact NH1-O 2.94Å; Q422-L426 WeakPolarHBondContact CA-O 3.33Å; Q422-T440 VanDerWaalsContact O-CG2 3.31Å; Q422-T440 WeakPolarHBondContact O-CG2 3.41Å
423	C	96.3	Very high	94.7	Very high	0 Å²	0	37 Å²	37	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	127	-179.8	-175.9	0	0	0	0	110.6	G425 L426 F428 F436 T440 E444	C423-G425 PolarHBondContact O-N 3.35Å; C423-L426 PolarHBondContact N-O 3.42Å; C423-L426 WeakPolarHBondContact O-CB 3.45Å; C423-L426 PolarHBondContact O-N 3.17Å; C423-F428 HydrophobicContact CB-CD2 3.9Å; C423-F428 HydrophobicContact CB-CE2 3.78Å; C423-F436 HydrophobicContact CB-CZ 3.99Å; C423-T440 HydrophobicContact CB-CG2 3.8Å; C423-E444 WeakPolarHBondContact CA-OE1 3.38Å
424	C	94.8	Very high	94.3	Very high	45 Å²	45	37 Å²	37	30%	0.304	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.4	32.3	-177	-59.8	0	0	0	0	114.1	L426 E444 C489	C424-L426 VanDerWaalsContact C-N 3.26Å; C424-L426 PolarHBondContact O-N 3.23Å; C424-E444 PolarHBondContact N-OE1 3.09Å; C424-C489 HydrophobicContact CB-CB 4.05Å
425	G	94.5	Very high	93.8	Very high	75 Å²	75	42 Å²	42	77%	0.773	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	76	7.3	-176.9	0	0	0	0	0	115.1	C423	C423-G425 PolarHBondContact O-N 3.35Å
426	L	97.4	Very high	93.6	Very high	33 Å²	33	40.8 Å²	40.8	17%	0.173	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	156.2	174.9	-55.9	-179.4	0	0	0	110.6	Q422 C423 C424 F428 L488 N517 I519	Q422-L426 WeakPolarHBondContact CA-O 3.33Å; C423-L426 PolarHBondContact N-O 3.42Å; C423-L426 WeakPolarHBondContact O-CB 3.45Å; C423-L426 PolarHBondContact O-N 3.17Å; C424-L426 VanDerWaalsContact C-N 3.26Å; C424-L426 PolarHBondContact O-N 3.23Å; L426-F428 HydrophobicContact CB-CD2 4.41Å; L426-F428 HydrophobicContact CB-CE2 3.72Å; L426-F428 HydrophobicContact CB-CZ 4.2Å; L426-F428 HydrophobicContact CD1-CE2 4.48Å; L426-F428 HydrophobicContact CD1-CZ 4.21Å; L426-L488 HydrophobicContact CD1-CB 4.23Å; L426-N517 WeakPolarHBondContact CA-OD1 3.38Å; L426-N517 WeakPolarHBondContact CB-OD1 3.49Å; L426-N517 HydrophobicContact CD2-CB 4.15Å; L426-I519 HydrophobicContact CD1-CD1 3.88Å; L426-I519 HydrophobicContact CD2-CD1 4.3Å
427	N	97.2	Very high	93.5	Very high	58 Å²	58	36.9 Å²	36.9	31%	0.31	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	131.5	173.9	-64	-65.7	0	0	0	110.4	I420 E421 L516 N517	I420-N427 HydrophobicContact CG2-CB 4.01Å; E421-N427 CarbonylContact O-C 3.53Å; E421-N427 WeakPolarHBondContact O-CA 3.38Å; N427-L516 HydrophobicContact CB-CD2 3.87Å; N427-L516 HydrophobicContact CB-CG 4.29Å; N427-L516 WeakPolarHBondContact O-CD2 3.44Å; N427-N517 PolarHBondContact N-OD1 3Å; N427-N517 PolarHBondContact O-ND2 3.37Å
428	F	97	Very high	93.6	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	120	178.7	-70.1	-90	0	0	0	110.2	I420 E421 C423 L426 I430 F436 T485 L488 N513	I420-F428 CarbonylContact C-O 3.54Å; I420-F428 WeakPolarHBondContact CA-O 3.33Å; E421-F428 PolarHBondContact N-O 2.98Å; E421-F428 PolarHBondContact O-N 3.19Å; C423-F428 HydrophobicContact CB-CD2 3.9Å; C423-F428 HydrophobicContact CB-CE2 3.78Å; L426-F428 HydrophobicContact CB-CD2 4.41Å; L426-F428 HydrophobicContact CB-CE2 3.72Å; L426-F428 HydrophobicContact CB-CZ 4.2Å; L426-F428 HydrophobicContact CD1-CE2 4.48Å; L426-F428 HydrophobicContact CD1-CZ 4.21Å; F428-I430 HydrophobicContact CB-CG1 4.31Å; F428-I430 PolarHBondContact O-N 2.91Å; F428-F436 HydrophobicContact CB-CE2 4.05Å; F428-F436 HydrophobicContact CD1-CE2 4.36Å; F428-F436 HydrophobicContact CD2-CE2 4.37Å; F428-F436 HydrophobicContact CD2-CZ 4.39Å; F428-F436 HydrophobicContact CG-CE2 4.01Å; F428-F436 HydrophobicContact CG-CZ 4.45Å; F428-T485 HydrophobicContact CE1-CG2 4.04Å; F428-T485 HydrophobicContact CE2-CG2 4.26Å; F428-T485 HydrophobicContact CZ-CG2 3.88Å; F428-L488 HydrophobicContact CD1-CD1 4.42Å; F428-L488 HydrophobicContact CE1-CB 4.04Å; F428-L488 HydrophobicContact CE1-CD1 3.7Å; F428-L488 HydrophobicContact CE1-CG 4.48Å; F428-L488 HydrophobicContact CZ-CB 4.09Å; F428-N513 HydrophobicContact CD1-CB 4.12Å
429	H	93	Very high	93.8	Very high	33 Å²	33	31.1 Å²	31.1	15%	0.153	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	122.7	158.9	-76.9	-162.2	0	0	0	109.1	Y418 N513 L516	Y418-H429 HydrophobicContact CD2-CB 4.46Å; Y418-H429 AromaticContact CE2-CD2 3.95Å; Y418-H429 AromaticContact CE2-CE1 3.65Å; Y418-H429 AromaticContact CE2-ND1 3.92Å; Y418-H429 AromaticContact CE2-NE2 3.66Å; Y418-H429 AromaticContact CZ-CE1 3.87Å; H429-N513 WeakPolarHBondContact CA-OD1 3.46Å; H429-N513 WeakPolarHBondContact CB-OD1 3.29Å; H429-N513 PolarHBondContact N-OD1 2.77Å; H429-N513 PolarHBondContact O-ND2 2.74Å; H429-N513 PolarHBondContact O-OD1 3.33Å; H429-L516 WeakPolarHBondContact CD2-CD2 3.48Å
430	I	92.1	Very high	93.8	Very high	4 Å²	4	31.2 Å²	31.2	2%	0.021	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	107.6	178	-56.3	171.3	0	0	0	108.4	Y418 I419 E421 F428 A434 F436	Y418-I430 WeakPolarHBondContact CA-O 3.23Å; Y418-I430 WeakPolarHBondContact CB-O 3.39Å; I419-I430 HydrophobicContact CD1-CD1 4.41Å; I419-I430 HydrophobicContact CG1-CB 3.86Å; I419-I430 HydrophobicContact CG1-CD1 4.32Å; I419-I430 HydrophobicContact CG1-CG2 4.49Å; I419-I430 PolarHBondContact N-O 2.99Å; I419-I430 PolarHBondContact O-N 3.14Å; E421-I430 HydrophobicContact CB-CD1 3.37Å; E421-I430 HydrophobicContact CB-CG1 4.34Å; E421-I430 HydrophobicContact CG-CD1 4.03Å; F428-I430 HydrophobicContact CB-CG1 4.31Å; F428-I430 PolarHBondContact O-N 2.91Å; I430-A434 HydrophobicContact CG2-CB 4.24Å; I430-F436 HydrophobicContact CD1-CB 3.76Å; I430-F436 HydrophobicContact CD1-CD1 3.7Å; I430-F436 HydrophobicContact CD1-CD2 3.51Å; I430-F436 HydrophobicContact CD1-CE1 4.16Å; I430-F436 HydrophobicContact CD1-CE2 3.96Å; I430-F436 HydrophobicContact CD1-CG 3.35Å; I430-F436 HydrophobicContact CD1-CZ 4.26Å; I430-F436 HydrophobicContact CG1-CB 4.36Å; I430-F436 HydrophobicContact CG1-CD2 3.86Å; I430-F436 HydrophobicContact CG1-CE2 4.35Å; I430-F436 HydrophobicContact CG1-CG 4.12Å; I430-F436 HydrophobicContact CG2-CB 4.18Å
431	S	92.1	Very high	93.9	Very high	32 Å²	32	32.1 Å²	32.1	22%	0.224	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	157.3	174.3	-67.2	0	0	0	0	112.1	S433 A434 D509	S431-S433 VanDerWaalsContact C-N 3.26Å; S431-S433 PolarHBondContact O-N 3.02Å; S431-A434 WeakPolarHBondContact O-CB 3.37Å; S431-A434 PolarHBondContact O-N 3.02Å; S431-D509 VanDerWaalsContact CB-OD2 3.24Å; S431-D509 WeakPolarHBondContact CB-OD2 3.21Å; S431-D509 PolarHBondContact N-OD2 2.86Å; S431-D509 VanDerWaalsContact OG-CG 3.32Å; S431-D509 PolarHBondContact OG-OD1 2.71Å; S431-D509 PolarHBondContact OG-OD2 2.83Å
432	I	91.6	Very high	94	Very high	11 Å²	11	32 Å²	32	6%	0.056	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.9	-44.8	-177.8	-68.8	171.1	0	0	0	112.8	L344 R346 L354 V356 Y394 L410 P417	L344-I432 HydrophobicContact CD2-CG2 4.31Å; R346-I432 VanDerWaalsContact CZ-O 3.31Å; R346-I432 PolarHBondContact NE-O 3.47Å; R346-I432 PolarHBondContact NH2-O 3.4Å; L354-I432 HydrophobicContact CD1-CD1 4.38Å; L354-I432 HydrophobicContact CD1-CG1 3.77Å; L354-I432 HydrophobicContact CD2-CG1 3.95Å; V356-I432 HydrophobicContact CG2-CG2 3.52Å; Y394-I432 HydrophobicContact CD1-CD1 3.94Å; Y394-I432 HydrophobicContact CD2-CD1 3.76Å; Y394-I432 HydrophobicContact CE1-CD1 4.11Å; Y394-I432 HydrophobicContact CE2-CD1 3.97Å; Y394-I432 HydrophobicContact CG-CD1 3.78Å; L410-I432 HydrophobicContact CD1-CB 4.4Å; L410-I432 HydrophobicContact CD1-CD1 3.89Å; L410-I432 HydrophobicContact CD1-CG2 4Å; P417-I432 WeakPolarHBondContact O-CG1 3.28Å; P417-I432 PolarHBondContact O-N 3.34Å
433	S	85.5	Confident	94	Very high	65 Å²	65	27.9 Å²	27.9	46%	0.455	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-10	-177.1	54.9	0	0	0	0	113.9	D407 S431	D407-S433 WeakPolarHBondContact OD1-CB 3.24Å; D407-S433 PolarHBondContact OD1-OG 2.72Å; D407-S433 VanDerWaalsContact OD1-OG 3.08Å; S431-S433 VanDerWaalsContact C-N 3.26Å; S431-S433 PolarHBondContact O-N 3.02Å
434	A	87.7	Confident	94.1	Very high	6 Å²	6	30 Å²	30	5%	0.05	18%	0.181	C	C	.	.			trans	-72.9	143.8	-174.2	0	0	0	0	0	113	R346 I430 S431 T483 D509	R346-A434 PolarHBondContact NH1-O 3.33Å; R346-A434 PolarHBondContact NH2-O 3.39Å; I430-A434 HydrophobicContact CG2-CB 4.24Å; S431-A434 WeakPolarHBondContact O-CB 3.37Å; S431-A434 PolarHBondContact O-N 3.02Å; A434-T483 HydrophobicContact CB-CG2 3.76Å; A434-D509 VanDerWaalsContact CB-OD2 3.28Å; A434-D509 WeakPolarHBondContact CB-OD2 3.32Å
435	F	88.4	Confident	94.3	Very high	125 Å²	125	30.3 Å²	30.3	55%	0.548	18%	0.179	S	C	.	.			trans	-80.6	139.6	172	178.1	-96.3	0	0	0	110.5
436	F	92.4	Very high	94.5	Very high	8 Å²	8	26.7 Å²	26.7	4%	0.035	14%	0.142	C	C	.	.			trans	-147.5	152.4	170.2	-160.8	-94.9	0	0	0	108.3	E421 C423 F428 I430 V438 T440 T485	E421-F436 HydrophobicContact CB-CE1 4.38Å; E421-F436 HydrophobicContact CB-CZ 4.44Å; E421-F436 HydrophobicContact CG-CD1 4.19Å; E421-F436 HydrophobicContact CG-CE1 3.5Å; E421-F436 HydrophobicContact CG-CZ 3.84Å; C423-F436 HydrophobicContact CB-CZ 3.99Å; F428-F436 HydrophobicContact CB-CE2 4.05Å; F428-F436 HydrophobicContact CD1-CE2 4.36Å; F428-F436 HydrophobicContact CD2-CE2 4.37Å; F428-F436 HydrophobicContact CD2-CZ 4.39Å; F428-F436 HydrophobicContact CG-CE2 4.01Å; F428-F436 HydrophobicContact CG-CZ 4.45Å; I430-F436 HydrophobicContact CD1-CB 3.76Å; I430-F436 HydrophobicContact CD1-CD1 3.7Å; I430-F436 HydrophobicContact CD1-CD2 3.51Å; I430-F436 HydrophobicContact CD1-CE1 4.16Å; I430-F436 HydrophobicContact CD1-CE2 3.96Å; I430-F436 HydrophobicContact CD1-CG 3.35Å; I430-F436 HydrophobicContact CD1-CZ 4.26Å; I430-F436 HydrophobicContact CG1-CB 4.36Å; I430-F436 HydrophobicContact CG1-CD2 3.86Å; I430-F436 HydrophobicContact CG1-CE2 4.35Å; I430-F436 HydrophobicContact CG1-CG 4.12Å; I430-F436 HydrophobicContact CG2-CB 4.18Å; F436-V438 PolarHBondContact O-N 3.47Å; F436-T440 HydrophobicContact CE1-CG2 4.29Å; F436-T485 HydrophobicContact CE2-CG2 3.69Å; F436-T485 WeakPolarHBondContact CE2-OG1 3.36Å; F436-T485 HydrophobicContact CZ-CG2 3.97Å
437	Q	94	Very high	94.5	Very high	14 Å²	14	25.4 Å²	25.4	7%	0.065	14%	0.135	C	C	.	.			trans	-63.9	132.8	-177.5	-68	-62.9	-16	0	0	110.7	N259 N439 A443 L614	N259-Q437 PolarHBondContact ND2-O 2.95Å; Q437-N439 PolarHBondContact O-N 3.43Å; Q437-A443 HydrophobicContact CB-CB 3.65Å; Q437-A443 HydrophobicContact CG-CB 3.88Å; Q437-L614 HydrophobicContact CB-CD2 4.46Å; Q437-L614 HydrophobicContact CG-CD2 4.45Å
438	V	94.5	Very high	94.4	Very high	10 Å²	10	28 Å²	28	6%	0.061	15%	0.145	C	C	.	.	S	Bend	trans	-73.6	-17.7	-171.7	-59.5	0	0	0	0	113.7	R258 N259 K260 F436 F615	R258-V438 CarbonylContact C-O 3.56Å; R258-V438 WeakPolarHBondContact CA-O 2.96Å; R258-V438 HydrophobicContact CG-CB 4.06Å; R258-V438 HydrophobicContact CG-CG2 4.33Å; N259-V438 VanDerWaalsContact CG-O 3.28Å; N259-V438 PolarHBondContact N-O 3.24Å; N259-V438 WeakPolarHBondContact OD1-CA 3.48Å; N259-V438 PolarHBondContact OD1-O 3.22Å; N259-V438 VanDerWaalsContact OD1-O 3.13Å; K260-V438 HydrophobicContact CB-CG1 4.25Å; F436-V438 PolarHBondContact O-N 3.47Å; V438-F615 HydrophobicContact CG2-CD1 3.93Å; V438-F615 HydrophobicContact CG2-CE1 3.57Å
439	N	97	Very high	94.4	Very high	2 Å²	2	31.7 Å²	31.7	1%	0.011	16%	0.159	C	C	.	.			trans	-126.7	88.1	-179.9	-176.7	-16.6	0	0	0	107.8	S251 Y257 Q437 L441 A442 A443 L614	S251-N439 PolarHBondContact OG-ND2 2.94Å; Y257-N439 HydrophobicContact CD2-CB 3.9Å; Q437-N439 PolarHBondContact O-N 3.43Å; N439-L441 VanDerWaalsContact C-N 3.31Å; N439-L441 PolarHBondContact O-N 3.26Å; N439-A442 HydrophobicContact CB-CB 4.13Å; N439-A442 VanDerWaalsContact CG-CB 3.44Å; N439-A442 WeakPolarHBondContact ND2-CB 3.46Å; N439-A442 PolarHBondContact O-N 3.26Å; N439-A442 PolarHBondContact OD1-N 3.14Å; N439-A442 VanDerWaalsContact OD1-N 3.16Å; N439-A443 WeakPolarHBondContact O-CB 3.45Å; N439-A443 PolarHBondContact O-N 2.95Å; N439-L614 HydrophobicContact CB-CB 4.36Å; N439-L614 VanDerWaalsContact CB-O 3.3Å; N439-L614 WeakPolarHBondContact CB-O 3.4Å; N439-L614 PolarHBondContact ND2-O 3.2Å; N439-L614 VanDerWaalsContact ND2-O 3.11Å
440	T	96.7	Very high	94.5	Very high	7 Å²	7	30.1 Å²	30.1	4%	0.043	15%	0.152	C	C	.	.	H	α-helix	trans	-60.5	-39.4	-172	-52.7	0	0	0	0	112	N259 E421 Q422 C423 F436 A443 E444	N259-T440 PolarHBondContact ND2-OG1 2.65Å; N259-T440 VanDerWaalsContact ND2-OG1 3.14Å; E421-T440 HydrophobicContact CG-CG2 4.26Å; E421-T440 PolarHBondContact OE2-OG1 3Å; Q422-T440 VanDerWaalsContact O-CG2 3.31Å; Q422-T440 WeakPolarHBondContact O-CG2 3.41Å; C423-T440 HydrophobicContact CB-CG2 3.8Å; F436-T440 HydrophobicContact CE1-CG2 4.29Å; T440-A443 WeakPolarHBondContact O-CB 3.38Å; T440-A443 PolarHBondContact O-N 3.45Å; T440-E444 WeakPolarHBondContact O-CG 3.45Å; T440-E444 PolarHBondContact O-N 2.97Å
441	L	97.1	Very high	94.6	Very high	56 Å²	56	30.6 Å²	30.6	29%	0.293	16%	0.156	S	C	.	.	H	α-helix	trans	-66.9	-40.7	179.6	-64.9	176	0	0	0	112.5	P252 I253 N439 A443 E444 L445	P252-L441 HydrophobicContact CB-CB 4.44Å; P252-L441 HydrophobicContact CG-CB 3.45Å; P252-L441 VanDerWaalsContact CG-CB 3.45Å; I253-L441 HydrophobicContact CB-CD1 4.4Å; I253-L441 HydrophobicContact CG2-CB 4.46Å; I253-L441 HydrophobicContact CG2-CD1 4.06Å; N439-L441 VanDerWaalsContact C-N 3.31Å; N439-L441 PolarHBondContact O-N 3.26Å; L441-A443 VanDerWaalsContact C-N 3.33Å; L441-E444 PolarHBondContact O-N 3.39Å; L441-L445 PolarHBondContact O-N 3.2Å
442	A	98.2	Very high	94.7	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-70.2	-31.8	174.1	0	0	0	0	0	112	N439 L445 L446 L614	N439-A442 HydrophobicContact CB-CB 4.13Å; N439-A442 VanDerWaalsContact CG-CB 3.44Å; N439-A442 WeakPolarHBondContact ND2-CB 3.46Å; N439-A442 PolarHBondContact O-N 3.26Å; N439-A442 PolarHBondContact OD1-N 3.14Å; N439-A442 VanDerWaalsContact OD1-N 3.16Å; A442-L445 WeakPolarHBondContact O-CB 3.24Å; A442-L445 PolarHBondContact O-N 3.5Å; A442-L446 PolarHBondContact O-N 3.47Å; A442-L614 HydrophobicContact CB-CB 4.26Å; A442-L614 HydrophobicContact CB-CD1 4.04Å; A442-L614 HydrophobicContact CB-CG 3.69Å
443	A	97.5	Very high	94.7	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.008	16%	0.16	C	C	.	.	H	α-helix	trans	-65.2	-36.9	173.2	0	0	0	0	0	112.3	Q437 N439 T440 L441 L445 L446 F447 L614	Q437-A443 HydrophobicContact CB-CB 3.65Å; Q437-A443 HydrophobicContact CG-CB 3.88Å; N439-A443 WeakPolarHBondContact O-CB 3.45Å; N439-A443 PolarHBondContact O-N 2.95Å; T440-A443 WeakPolarHBondContact O-CB 3.38Å; T440-A443 PolarHBondContact O-N 3.45Å; L441-A443 VanDerWaalsContact C-N 3.33Å; A443-L445 VanDerWaalsContact C-N 3.3Å; A443-L445 PolarHBondContact O-N 3.28Å; A443-L446 WeakPolarHBondContact O-CB 3.33Å; A443-L446 PolarHBondContact O-N 2.7Å; A443-L446 VanDerWaalsContact O-N 3.14Å; A443-F447 HydrophobicContact CB-CE2 4.23Å; A443-F447 HydrophobicContact CB-CZ 4.07Å; A443-F447 WeakPolarHBondContact O-CD1 3.48Å; A443-F447 WeakPolarHBondContact O-CD2 3.2Å; A443-F447 WeakPolarHBondContact O-CG 3.4Å; A443-F447 PolarHBondContact O-N 3.49Å; A443-L614 HydrophobicContact CB-CD2 4.42Å
444	E	98.1	Very high	94.8	Very high	45 Å²	45	28.3 Å²	28.3	21%	0.21	14%	0.139	C	C	.	.	H	α-helix	trans	-58.8	-41.6	173.4	-69.7	174.4	159.5	0	0	111.5	R349 C423 C424 T440 L441 F447 E448	R349-E444 IonicContact NH1-OE1 3.3Å; R349-E444 PolarHBondContact NH1-OE1 3.11Å; R349-E444 IonicContact NH1-OE2 3.9Å; C423-E444 WeakPolarHBondContact CA-OE1 3.38Å; C424-E444 PolarHBondContact N-OE1 3.09Å; T440-E444 WeakPolarHBondContact O-CG 3.45Å; T440-E444 PolarHBondContact O-N 2.97Å; L441-E444 PolarHBondContact O-N 3.39Å; E444-F447 PolarHBondContact O-N 3.26Å; E444-E448 PolarHBondContact O-N 3.37Å
445	L	97.9	Very high	94.4	Very high	51 Å²	51	31.3 Å²	31.3	27%	0.267	15%	0.154	S	C	.	.	H	α-helix	trans	-64.5	-42.5	173.3	-61.5	-179.8	0	0	0	111.9	I249 P252 L441 A442 A443 F447 E448 R449 V612	I249-L445 HydrophobicContact CG2-CD1 4.06Å; P252-L445 HydrophobicContact CG-CD1 4.2Å; L441-L445 PolarHBondContact O-N 3.2Å; A442-L445 WeakPolarHBondContact O-CB 3.24Å; A442-L445 PolarHBondContact O-N 3.5Å; A443-L445 VanDerWaalsContact C-N 3.3Å; A443-L445 PolarHBondContact O-N 3.28Å; L445-F447 VanDerWaalsContact C-N 3.29Å; L445-F447 PolarHBondContact O-N 3.1Å; L445-E448 WeakPolarHBondContact O-CB 3.39Å; L445-E448 PolarHBondContact O-N 2.78Å; L445-R449 WeakPolarHBondContact O-CG 3.09Å; L445-R449 PolarHBondContact O-N 3.15Å; L445-V612 HydrophobicContact CB-CG1 4.29Å
446	L	98.1	Very high	93.6	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-56	-45.9	174.8	-177.6	75.3	0	0	0	111.1	A442 A443 R449 I450 I577 V612 E622 I624	A442-L446 PolarHBondContact O-N 3.47Å; A443-L446 WeakPolarHBondContact O-CB 3.33Å; A443-L446 PolarHBondContact O-N 2.7Å; A443-L446 VanDerWaalsContact O-N 3.14Å; L446-R449 PolarHBondContact O-N 2.78Å; L446-I450 HydrophobicContact CD2-CD1 4.5Å; L446-I450 HydrophobicContact CG-CD1 3.93Å; L446-I450 WeakPolarHBondContact O-CD1 3.45Å; L446-I450 VanDerWaalsContact O-CG1 3.25Å; L446-I450 WeakPolarHBondContact O-CG1 3.45Å; L446-I450 PolarHBondContact O-N 2.76Å; L446-I577 HydrophobicContact CD2-CG2 4.44Å; L446-V612 HydrophobicContact CB-CG2 4.24Å; L446-V612 HydrophobicContact CD1-CB 4.19Å; L446-V612 HydrophobicContact CD1-CG2 3.79Å; L446-E622 HydrophobicContact CD1-CB 3.86Å; L446-E622 HydrophobicContact CD2-CB 4.19Å; L446-E622 HydrophobicContact CD2-CG 4.18Å; L446-I624 HydrophobicContact CD1-CD1 3.55Å; L446-I624 HydrophobicContact CD1-CG1 3.6Å
447	F	97.4	Very high	92	Very high	5 Å²	5	32.5 Å²	32.5	2%	0.022	17%	0.172	C	C	.	.	H	α-helix	trans	-68.9	-35.5	-179.7	-56.6	-19.6	0	0	0	112.4	A443 E444 L445 I450 S451 T485 I486 C489 L490	A443-F447 HydrophobicContact CB-CE2 4.23Å; A443-F447 HydrophobicContact CB-CZ 4.07Å; A443-F447 WeakPolarHBondContact O-CD1 3.48Å; A443-F447 WeakPolarHBondContact O-CD2 3.2Å; A443-F447 WeakPolarHBondContact O-CG 3.4Å; A443-F447 PolarHBondContact O-N 3.49Å; E444-F447 PolarHBondContact O-N 3.26Å; L445-F447 VanDerWaalsContact C-N 3.29Å; L445-F447 PolarHBondContact O-N 3.1Å; F447-I450 HydrophobicContact CD1-CD1 4.17Å; F447-I450 PolarHBondContact O-N 3.36Å; F447-S451 WeakPolarHBondContact O-CB 3.31Å; F447-S451 PolarHBondContact O-N 2.85Å; F447-T485 HydrophobicContact CE2-CG2 3.61Å; F447-T485 HydrophobicContact CZ-CG2 3.82Å; F447-I486 HydrophobicContact CD1-CG1 3.77Å; F447-I486 HydrophobicContact CE1-CD1 4.13Å; F447-I486 HydrophobicContact CE1-CG1 3.35Å; F447-I486 HydrophobicContact CZ-CG1 3.99Å; F447-C489 HydrophobicContact CD2-CB 4.13Å; F447-L490 HydrophobicContact CB-CD1 4.06Å
448	E	95.8	Very high	90.1	Very high	113 Å²	113	33.4 Å²	33.4	53%	0.528	18%	0.18	S	C	.	.	H	α-helix	trans	-59	-48.5	170.8	-175.7	-175.8	179.8	0	0	111.1	E444 L445 I450 S451 C452	E444-E448 PolarHBondContact O-N 3.37Å; L445-E448 WeakPolarHBondContact O-CB 3.39Å; L445-E448 PolarHBondContact O-N 2.78Å; E448-I450 PolarHBondContact O-N 2.81Å; E448-S451 WeakPolarHBondContact O-CB 3.29Å; E448-S451 PolarHBondContact O-N 3.34Å; E448-C452 PolarHBondContact O-N 2.97Å; E448-C452 PolarHBondContact O-SG 3.08Å; E448-C452 VanDerWaalsContact O-SG 3.38Å
449	R	96.3	Very high	88	Confident	78 Å²	78	40.9 Å²	40.9	29%	0.294	21%	0.214	S	C	.	.	H	α-helix	trans	-60.7	-46.5	177.7	-64.5	-45.4	-60	168.3	-0.4	112.2	I249 L445 L446 S451 C452 L453 E610 I624	I249-R449 HydrophobicContact CD1-CG 3.4Å; I249-R449 VanDerWaalsContact CD1-CG 3.4Å; L445-R449 WeakPolarHBondContact O-CG 3.09Å; L445-R449 PolarHBondContact O-N 3.15Å; L446-R449 PolarHBondContact O-N 2.78Å; R449-S451 VanDerWaalsContact C-N 3.28Å; R449-S451 PolarHBondContact O-N 3.18Å; R449-C452 WeakPolarHBondContact O-CB 3.22Å; R449-C452 PolarHBondContact O-N 3.41Å; R449-C452 VanDerWaalsContact O-N 3.12Å; R449-L453 WeakPolarHBondContact O-CG 3.15Å; R449-L453 PolarHBondContact O-N 2.85Å; R449-E610 WeakPolarHBondContact CB-OE2 3.37Å; R449-E610 IonicContact CZ-OE1 3.88Å; R449-E610 IonicContact CZ-OE2 3.61Å; R449-E610 IonicContact NE-OE1 2.91Å; R449-E610 IonicContact NE-OE2 3.39Å; R449-E610 PolarHBondContact NE-OE2 3.12Å; R449-E610 IonicContact NH2-OE1 2.74Å; R449-E610 PolarHBondContact NH2-OE1 3.09Å; R449-E610 IonicContact NH2-OE2 2.92Å; R449-E610 PolarHBondContact NH2-OE2 3.11Å; R449-I624 HydrophobicContact CB-CD1 3.74Å
450	I	96.5	Very high	85.7	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-57.4	-44.2	175.6	-67.5	160.1	0	0	0	110.5	L446 F447 E448 C452 L453 C454 L490 I549 I575 I577 I624	L446-I450 HydrophobicContact CD2-CD1 4.5Å; L446-I450 HydrophobicContact CG-CD1 3.93Å; L446-I450 WeakPolarHBondContact O-CD1 3.45Å; L446-I450 VanDerWaalsContact O-CG1 3.25Å; L446-I450 WeakPolarHBondContact O-CG1 3.45Å; L446-I450 PolarHBondContact O-N 2.76Å; F447-I450 HydrophobicContact CD1-CD1 4.17Å; F447-I450 PolarHBondContact O-N 3.36Å; E448-I450 PolarHBondContact O-N 2.81Å; I450-C452 PolarHBondContact O-N 3.5Å; I450-L453 PolarHBondContact O-N 2.99Å; I450-C454 PolarHBondContact O-N 2.91Å; I450-C454 PolarHBondContact O-SG 2.89Å; I450-C454 VanDerWaalsContact O-SG 3.35Å; I450-L490 HydrophobicContact CG2-CD2 3.72Å; I450-I549 HydrophobicContact CG2-CD1 3.38Å; I450-I549 HydrophobicContact CG2-CG1 3.98Å; I450-I575 HydrophobicContact CG1-CG2 4.31Å; I450-I575 HydrophobicContact CG2-CD1 4.23Å; I450-I575 HydrophobicContact CG2-CG2 4.38Å; I450-I577 HydrophobicContact CD1-CD1 3.37Å; I450-I577 HydrophobicContact CD1-CG1 4.15Å; I450-I577 HydrophobicContact CG1-CD1 4.22Å; I450-I624 HydrophobicContact CG1-CD1 4.07Å; I450-I624 HydrophobicContact CG1-CG1 4.46Å
451	S	94.1	Very high	83.4	Confident	14 Å²	14	49.6 Å²	49.6	10%	0.098	26%	0.257	C	S	.	.	H	α-helix	trans	-59.4	-44.4	175.7	-172.3	0	0	0	0	111.6	F447 E448 R449 L453 C454 N455 H493	F447-S451 WeakPolarHBondContact O-CB 3.31Å; F447-S451 PolarHBondContact O-N 2.85Å; E448-S451 WeakPolarHBondContact O-CB 3.29Å; E448-S451 PolarHBondContact O-N 3.34Å; R449-S451 VanDerWaalsContact C-N 3.28Å; R449-S451 PolarHBondContact O-N 3.18Å; S451-L453 VanDerWaalsContact C-N 3.33Å; S451-L453 PolarHBondContact O-N 2.96Å; S451-C454 PolarHBondContact O-N 2.71Å; S451-N455 PolarHBondContact O-N 2.79Å; S451-N455 VanDerWaalsContact O-N 3.12Å; S451-N455 PolarHBondContact O-ND2 3.08Å; S451-N455 PolarHBondContact OG-ND2 3.19Å; S451-H493 PolarHBondContact OG-CD2 3.23Å
452	C	93	Very high	81	Confident	52 Å²	52	53.5 Å²	53.5	35%	0.351	28%	0.277	S	S	.	.	H	α-helix	trans	-57.7	-43.9	174.4	-66	0	0	0	0	112.3	E448 R449 I450 N455 L456	E448-C452 PolarHBondContact O-N 2.97Å; E448-C452 PolarHBondContact O-SG 3.08Å; E448-C452 VanDerWaalsContact O-SG 3.38Å; R449-C452 WeakPolarHBondContact O-CB 3.22Å; R449-C452 PolarHBondContact O-N 3.41Å; R449-C452 VanDerWaalsContact O-N 3.12Å; I450-C452 PolarHBondContact O-N 3.5Å; C452-N455 CarbonylContact O-C 3.25Å; C452-N455 PolarHBondContact O-N 2.65Å; C452-N455 VanDerWaalsContact O-N 3.15Å; C452-L456 PolarHBondContact O-N 3.39Å
453	L	91.9	Very high	78.4	Confident	5 Å²	5	59 Å²	59	3%	0.026	31%	0.31	C	S	.	.	H	α-helix	trans	-66.3	-39.5	179.8	-62.3	179.7	0	0	0	112.7	R449 I450 S451 N455 L456 R573 I575 M608 I624	R449-L453 WeakPolarHBondContact O-CG 3.15Å; R449-L453 PolarHBondContact O-N 2.85Å; I450-L453 PolarHBondContact O-N 2.99Å; S451-L453 VanDerWaalsContact C-N 3.33Å; S451-L453 PolarHBondContact O-N 2.96Å; L453-N455 PolarHBondContact O-N 3.13Å; L453-L456 HydrophobicContact CD2-CD1 4.06Å; L453-L456 PolarHBondContact O-N 3.47Å; L453-R573 PolarHBondContact O-NH1 2.83Å; L453-I575 HydrophobicContact CB-CD1 3.65Å; L453-I575 HydrophobicContact CB-CG1 4.11Å; L453-I575 HydrophobicContact CD1-CG2 4.31Å; L453-M608 HydrophobicContact CD2-CE 3.09Å; L453-M608 HydrophobicContact CG-CE 4.44Å; L453-I624 HydrophobicContact CD1-CG2 3.48Å; L453-I624 VanDerWaalsContact CD1-CG2 3.48Å
454	C	88.8	Confident	75.8	Confident	2 Å²	2	60.8 Å²	60.8	1%	0.014	32%	0.323	C	S	.	.	H	α-helix	trans	-60.6	-32.5	172.9	-71.2	0	0	0	0	112.2	I450 S451 F494 I575	I450-C454 PolarHBondContact O-N 2.91Å; I450-C454 PolarHBondContact O-SG 2.89Å; I450-C454 VanDerWaalsContact O-SG 3.35Å; S451-C454 PolarHBondContact O-N 2.71Å; C454-F494 HydrophobicContact CB-CZ 3.81Å; C454-I575 HydrophobicContact CB-CD1 4.44Å; C454-I575 WeakPolarHBondContact SG-CD1 3.36Å
455	N	79.1	Confident	73.3	Confident	69 Å²	69	62.8 Å²	62.8	37%	0.369	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.5	5.2	-176.5	-68.5	-56.4	0	0	0	114.4	S451 C452 L453 R474	S451-N455 PolarHBondContact O-N 2.79Å; S451-N455 VanDerWaalsContact O-N 3.12Å; S451-N455 PolarHBondContact O-ND2 3.08Å; S451-N455 PolarHBondContact OG-ND2 3.19Å; C452-N455 CarbonylContact O-C 3.25Å; C452-N455 PolarHBondContact O-N 2.65Å; C452-N455 VanDerWaalsContact O-N 3.15Å; L453-N455 PolarHBondContact O-N 3.13Å; N455-R474 PolarHBondContact OD1-NH1 3.36Å; N455-R474 PolarHBondContact OD1-NH2 3.24Å
456	L	70.4	Confident	70.8	Confident	70 Å²	70	68.3 Å²	68.3	37%	0.366	38%	0.377	S	S	.	.	S	Bend	trans	-63.8	138.3	174.4	-63.1	164.7	0	0	0	109.9	C452 L453 S458 R573 L626	C452-L456 PolarHBondContact O-N 3.39Å; L453-L456 HydrophobicContact CD2-CD1 4.06Å; L453-L456 PolarHBondContact O-N 3.47Å; L456-S458 PolarHBondContact O-N 3.33Å; L456-R573 PolarHBondContact O-NH2 2.85Å; L456-L626 HydrophobicContact CD1-CD2 3.98Å
457	P	59.4	Low	68.5	Low	89 Å²	89	75.6 Å²	75.6	58%	0.578	41%	0.408	S	S	*	.	P	Polyproline II helix	trans	-61.6	136.3	179.2	24.1	-31.6	0	0	0	110.3	E461	P457-E461 VanDerWaalsContact CA-OE2 3.31Å; P457-E461 WeakPolarHBondContact CA-OE2 3.14Å
458	S	54	Low	66.1	Low	33 Å²	33	81.3 Å²	81.3	23%	0.231	44%	0.439	C	S	.	.	P	Polyproline II helix	trans	-73.8	145.1	171.1	63.9	0	0	0	0	109.8	L456 N460 E461	L456-S458 PolarHBondContact O-N 3.33Å; S458-N460 PolarHBondContact O-N 3.38Å; S458-E461 PolarHBondContact N-OE2 2.97Å; S458-E461 WeakPolarHBondContact O-CB 3.28Å; S458-E461 PolarHBondContact O-N 3.37Å; S458-E461 WeakPolarHBondContact OG-CG 3.46Å; S458-E461 PolarHBondContact OG-N 2.9Å
459	E	51.4	Low	63.8	Low	167 Å²	167	81.5 Å²	81.5	78%	0.78	45%	0.45	S	S	*	.	H	α-helix	trans	-52.8	-30.8	173.5	-73.7	-173	157.5	0	0	111.8	E461 I462	E459-E461 VanDerWaalsContact C-N 3.34Å; E459-E461 PolarHBondContact O-N 3.46Å; E459-I462 PolarHBondContact O-N 2.98Å
460	N	48.1	Very low	61.7	Low	97 Å²	97	85.5 Å²	85.5	52%	0.519	48%	0.477	S	S	.	.	H	α-helix	trans	-70.1	-22.5	175.7	-69.1	-36.6	0	0	0	114.2	S458 T463 C464	S458-N460 PolarHBondContact O-N 3.38Å; N460-T463 PolarHBondContact O-OG1 2.92Å; N460-C464 WeakPolarHBondContact O-CB 3.3Å; N460-C464 PolarHBondContact O-N 3.46Å; N460-C464 VanDerWaalsContact O-N 3.1Å; N460-C464 PolarHBondContact O-SG 3.2Å
461	E	48.6	Very low	60	Low	95 Å²	95	93.3 Å²	93.3	44%	0.444	51%	0.514	S	S	.	.	H	α-helix	trans	-71.6	-34	174.7	-84.8	169.7	153.7	0	0	111.9	P457 S458 E459 T463 C464 A465	P457-E461 VanDerWaalsContact CA-OE2 3.31Å; P457-E461 WeakPolarHBondContact CA-OE2 3.14Å; S458-E461 PolarHBondContact N-OE2 2.97Å; S458-E461 WeakPolarHBondContact O-CB 3.28Å; S458-E461 PolarHBondContact O-N 3.37Å; S458-E461 WeakPolarHBondContact OG-CG 3.46Å; S458-E461 PolarHBondContact OG-N 2.9Å; E459-E461 VanDerWaalsContact C-N 3.34Å; E459-E461 PolarHBondContact O-N 3.46Å; E461-T463 PolarHBondContact O-N 2.89Å; E461-C464 PolarHBondContact O-N 3.24Å; E461-A465 PolarHBondContact O-N 2.78Å
462	I	46.7	Very low	59.2	Low	138 Å²	138	97.4 Å²	97.4	71%	0.708	53%	0.53	S	S	*	.	H	α-helix	trans	-63.8	-33.5	178.1	-59.3	176.6	0	0	0	110.7	E459	E459-I462 PolarHBondContact O-N 2.98Å
463	T	42.5	Very low	58.8	Low	114 Å²	114	101.2 Å²	101.2	70%	0.699	54%	0.54	S	S	*	.	H	α-helix	trans	-90.8	-16.7	177.4	57.9	0	0	0	0	114.4	N460 E461	N460-T463 PolarHBondContact O-OG1 2.92Å; E461-T463 PolarHBondContact O-N 2.89Å
464	C	42.9	Very low	58.8	Low	40 Å²	40	104 Å²	104	27%	0.27	55%	0.55	S	S	.	*			trans	-106.5	19.6	-175.1	-60.8	0	0	0	0	114.1	N460 E461 N466 K467	N460-C464 WeakPolarHBondContact O-CB 3.3Å; N460-C464 PolarHBondContact O-N 3.46Å; N460-C464 VanDerWaalsContact O-N 3.1Å; N460-C464 PolarHBondContact O-SG 3.2Å; E461-C464 PolarHBondContact O-N 3.24Å; C464-N466 PolarHBondContact O-N 2.84Å; C464-K467 PolarHBondContact O-N 2.71Å
465	A	46	Very low	59	Low	86 Å²	86	104 Å²	104	71%	0.711	55%	0.55	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.4	-10.6	175	0	0	0	0	0	114.5	E461	E461-A465 PolarHBondContact O-N 2.78Å
466	N	44.8	Very low	59.8	Low	168 Å²	168	100.7 Å²	100.7	90%	0.898	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.8	7.2	172.6	-76.9	-11.6	0	0	0	115.3	C464	C464-N466 PolarHBondContact O-N 2.84Å
467	K	49.9	Very low	61	Low	153 Å²	153	97.4 Å²	97.4	67%	0.665	52%	0.516	S	S	*	.	S	Bend	trans	-105.4	131.4	171	-70.4	-172.5	177.3	-177.7	0	109.2	C464 P469	C464-K467 PolarHBondContact O-N 2.71Å; K467-P469 WeakPolarHBondContact O-CD 3.37Å; K467-P469 VanDerWaalsContact O-N 3.08Å
468	N	47.3	Very low	62.8	Low	125 Å²	125	93.2 Å²	93.2	67%	0.668	49%	0.488	S	S	*	.			trans	-46.2	115.7	179.4	-80	-32.7	0	0	0	110.5	N470 E471	N468-N470 PolarHBondContact O-N 2.72Å; N468-E471 PolarHBondContact O-N 3.35Å
469	P	48.6	Very low	64.8	Low	117 Å²	117	91.7 Å²	91.7	76%	0.76	48%	0.477	S	S	*	.	G	3₁₀ helix	trans	-56.1	-26.1	176	-21.4	29.7	0	0	0	112.2	K467 E471	K467-P469 WeakPolarHBondContact O-CD 3.37Å; K467-P469 VanDerWaalsContact O-N 3.08Å; P469-E471 PolarHBondContact O-N 2.92Å
470	N	51.5	Low	66.9	Low	161 Å²	161	85 Å²	85	86%	0.861	45%	0.449	S	S	*	.	G	3₁₀ helix	trans	-67.5	1.8	-176.1	-72.1	-7.1	0	0	0	116	N468	N468-N470 PolarHBondContact O-N 2.72Å
471	E	61.8	Low	69.1	Low	165 Å²	165	81 Å²	81	77%	0.771	43%	0.428	S	S	*	.	G	3₁₀ helix	trans	-110.1	-23.2	-176.4	-99.4	-177.9	171.4	0	0	116.3	N468 P469 K473	N468-E471 PolarHBondContact O-N 3.35Å; P469-E471 PolarHBondContact O-N 2.92Å; E471-K473 PolarHBondContact O-N 3.4Å
472	K	75.7	Confident	71.3	Confident	100 Å²	100	77.3 Å²	77.3	44%	0.435	42%	0.416	S	S	.	.			trans	-87.9	102.4	-177.8	-74.8	-173.9	-176.3	176.2	0	110.9	R474	K472-R474 PolarHBondContact O-N 3.26Å
473	K	85.6	Confident	73.5	Confident	132 Å²	132	70.9 Å²	70.9	57%	0.574	38%	0.383	S	S	*	.			trans	-57.9	128.5	169.6	-67.7	-172.2	178.8	-175.5	0	110.2	E471 D495 C544 D545	E471-K473 PolarHBondContact O-N 3.4Å; K473-D495 WeakPolarHBondContact CA-OD2 3.46Å; K473-D495 HydrophobicContact CB-CB 4.45Å; K473-C544 WeakPolarHBondContact O-CA 3.24Å; K473-C544 WeakPolarHBondContact O-CB 3.48Å; K473-D545 PolarHBondContact O-N 2.82Å
474	R	91.2	Very high	76.1	Confident	63 Å²	63	65.5 Å²	65.5	24%	0.238	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	121.6	175.3	-57.3	-172.5	67.4	-152.7	-1.4	109.3	N455 K472 H493 F494 D495 R496 D545	N455-R474 PolarHBondContact OD1-NH1 3.36Å; N455-R474 PolarHBondContact OD1-NH2 3.24Å; K472-R474 PolarHBondContact O-N 3.26Å; R474-H493 PolarHBondContact NH1-O 3.24Å; R474-F494 HydrophobicContact CB-CD1 4.06Å; R474-D495 PolarHBondContact N-OD2 3.42Å; R474-D495 PolarHBondContact O-N 2.96Å; R474-R496 PolarHBondContact O-N 2.76Å; R474-D545 WeakPolarHBondContact CA-O 3.41Å; R474-D545 HydrophobicContact CG-CB 4.28Å; R474-D545 IonicContact NE-OD2 2.61Å; R474-D545 PolarHBondContact NE-OD2 2.84Å
475	I	93.6	Very high	78.6	Confident	2 Å²	2	64.3 Å²	64.3	1%	0.01	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	129.7	-174.7	-54	-177.6	0	0	0	109.3	R496 L540 P541 C544 D545 L546 S547	I475-R496 CarbonylContact C-O 3.48Å; I475-R496 VanDerWaalsContact CA-O 3.28Å; I475-R496 WeakPolarHBondContact CA-O 3.4Å; I475-R496 HydrophobicContact CG1-CB 4.29Å; I475-R496 HydrophobicContact CG2-CB 4.42Å; I475-L540 HydrophobicContact CD1-CD2 3.88Å; I475-L540 HydrophobicContact CG2-CD2 3.96Å; I475-P541 HydrophobicContact CD1-CG 4.11Å; I475-C544 HydrophobicContact CD1-CB 3.82Å; I475-C544 HydrophobicContact CG1-CB 4.25Å; I475-D545 PolarHBondContact N-O 2.85Å; I475-L546 HydrophobicContact CB-CD1 4.15Å; I475-L546 HydrophobicContact CG2-CD1 4.04Å; I475-L546 WeakPolarHBondContact O-CA 3.45Å; I475-S547 PolarHBondContact O-N 3.11Å
476	L	95.6	Very high	81.1	Confident	0 Å²	0	60.7 Å²	60.7	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	130.9	170.1	179.8	61.2	0	0	0	110.3	L490 F494 R496 V497 I498 I549	L476-L490 HydrophobicContact CD2-CB 3.93Å; L476-L490 HydrophobicContact CD2-CD2 4.22Å; L476-F494 HydrophobicContact CB-CB 4.42Å; L476-F494 HydrophobicContact CB-CD1 3.75Å; L476-F494 HydrophobicContact CB-CD2 3.8Å; L476-F494 HydrophobicContact CB-CE1 3.85Å; L476-F494 HydrophobicContact CB-CE2 3.91Å; L476-F494 HydrophobicContact CB-CG 3.71Å; L476-F494 HydrophobicContact CB-CZ 3.92Å; L476-F494 HydrophobicContact CD1-CE1 4.46Å; L476-F494 HydrophobicContact CD1-CE2 4.36Å; L476-F494 HydrophobicContact CD1-CZ 4.03Å; L476-F494 HydrophobicContact CD2-CD2 4.06Å; L476-F494 HydrophobicContact CD2-CE2 3.81Å; L476-F494 HydrophobicContact CD2-CZ 4.33Å; L476-F494 HydrophobicContact CG-CD2 4.49Å; L476-F494 HydrophobicContact CG-CE2 4.25Å; L476-F494 HydrophobicContact CG-CZ 4.32Å; L476-R496 PolarHBondContact N-O 3Å; L476-V497 HydrophobicContact CB-CB 4.39Å; L476-V497 HydrophobicContact CB-CG1 4.08Å; L476-V497 HydrophobicContact CB-CG2 4.06Å; L476-V497 HydrophobicContact CD2-CG1 3.97Å; L476-V497 HydrophobicContact CD2-CG2 4.45Å; L476-V497 HydrophobicContact CG-CG1 4.15Å; L476-V497 CarbonylContact O-C 3.58Å; L476-V497 WeakPolarHBondContact O-CA 3.47Å; L476-I498 PolarHBondContact O-N 2.96Å; L476-I549 HydrophobicContact CD1-CD1 3.6Å; L476-I549 HydrophobicContact CD1-CG1 3.86Å; L476-I549 HydrophobicContact CD2-CD1 4.13Å; L476-I549 HydrophobicContact CG-CD1 4.4Å
477	L	95.9	Very high	83.6	Confident	1 Å²	1	52.7 Å²	52.7	1%	0.005	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	111.7	169.7	177.8	60.6	0	0	0	109.5	V479 I498 I500 L533 T536 L546 S547 V548 I549	L477-V479 HydrophobicContact CD2-CG2 4.45Å; L477-V479 HydrophobicContact CG-CG2 4.01Å; L477-I498 CarbonylContact C-O 3.52Å; L477-I498 WeakPolarHBondContact CA-O 3.19Å; L477-I498 HydrophobicContact CD1-CB 4.09Å; L477-I498 HydrophobicContact CD1-CG2 4.06Å; L477-I500 HydrophobicContact CD1-CD1 3.88Å; L477-I500 HydrophobicContact CD1-CG1 4.48Å; L477-L533 HydrophobicContact CD1-CD2 4.31Å; L477-L533 HydrophobicContact CD2-CD2 3.67Å; L477-L533 HydrophobicContact CG-CD2 4.3Å; L477-T536 HydrophobicContact CD1-CG2 3.9Å; L477-L546 HydrophobicContact CB-CD1 4.19Å; L477-S547 PolarHBondContact N-O 2.63Å; L477-V548 HydrophobicContact CB-CG2 4.21Å; L477-V548 HydrophobicContact CD2-CG1 4.41Å; L477-V548 HydrophobicContact CD2-CG2 4.24Å; L477-V548 HydrophobicContact CG-CG1 4.49Å; L477-V548 CarbonylContact O-C 3.56Å; L477-V548 WeakPolarHBondContact O-CA 3.29Å; L477-I549 PolarHBondContact O-N 2.88Å
478	D	97	Very high	85.9	Confident	1 Å²	1	45.5 Å²	45.5	1%	0.005	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	106.2	-179.9	-173.8	3.3	0	0	0	109.9	C481 A487 I498 G499 I500	D478-C481 HydrophobicContact CB-CB 4.02Å; D478-C481 VanDerWaalsContact CG-CB 3.42Å; D478-C481 VanDerWaalsContact OD2-CB 3.29Å; D478-C481 WeakPolarHBondContact OD2-CB 3.38Å; D478-A487 HydrophobicContact CB-CB 4.06Å; D478-A487 WeakPolarHBondContact OD2-CB 3.44Å; D478-A487 PolarHBondContact OD2-N 3.46Å; D478-A487 VanDerWaalsContact OD2-N 3.1Å; D478-I498 PolarHBondContact N-O 3.08Å; D478-G499 WeakPolarHBondContact O-CA 3.47Å; D478-I500 PolarHBondContact O-N 2.81Å
479	V	96.3	Very high	88.3	Confident	0 Å²	0	40 Å²	40	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	126.5	-175.6	-173	0	0	0	0	109.9	L477 A529 L533 V548 I549 V550 D551	L477-V479 HydrophobicContact CD2-CG2 4.45Å; L477-V479 HydrophobicContact CG-CG2 4.01Å; V479-A529 HydrophobicContact CG1-CB 4.2Å; V479-L533 HydrophobicContact CG1-CD1 4.38Å; V479-L533 HydrophobicContact CG2-CD2 3.86Å; V479-V548 HydrophobicContact CG2-CG1 4.27Å; V479-I549 PolarHBondContact N-O 3.4Å; V479-V550 HydrophobicContact CB-CG2 4.34Å; V479-D551 PolarHBondContact O-N 2.86Å; V479-D551 VanDerWaalsContact O-N 3.14Å
480	C	94.8	Very high	90.6	Very high	28 Å²	28	34.6 Å²	34.6	19%	0.189	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.3	46.3	-166.7	-59	0	0	0	0	111.8	G482 I500 D551	C480-G482 PolarHBondContact O-N 3.43Å; C480-G482 VanDerWaalsContact O-N 3.14Å; C480-I500 VanDerWaalsContact CA-O 3.28Å; C480-I500 WeakPolarHBondContact CA-O 3.19Å; C480-I500 PolarHBondContact N-O 2.88Å; C480-D551 WeakPolarHBondContact CB-O 3.49Å
481	C	95.5	Very high	92.7	Very high	11 Å²	11	27.3 Å²	27.3	7%	0.074	13%	0.134	C	C	.	.			trans	-69.8	-9.6	-170.7	67.6	0	0	0	0	114.9	D478 T483 G484 G499 I500	D478-C481 HydrophobicContact CB-CB 4.02Å; D478-C481 VanDerWaalsContact CG-CB 3.42Å; D478-C481 VanDerWaalsContact OD2-CB 3.29Å; D478-C481 WeakPolarHBondContact OD2-CB 3.38Å; C481-T483 PolarHBondContact O-N 3.23Å; C481-G484 WeakPolarHBondContact O-CA 3.39Å; C481-G484 PolarHBondContact O-N 3.23Å; C481-G499 VanDerWaalsContact SG-C 3.57Å; C481-I500 PolarHBondContact N-O 2.79Å; C481-I500 VanDerWaalsContact N-O 3.12Å; C481-I500 PolarHBondContact SG-N 2.87Å; C481-I500 VanDerWaalsContact SG-N 3.42Å
482	G	93.4	Very high	94.2	Very high	19 Å²	19	27.1 Å²	27.1	20%	0.196	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	55	-125.8	-174.8	0	0	0	0	0	112	C480 G484 D501 A506	C480-G482 PolarHBondContact O-N 3.43Å; C480-G482 VanDerWaalsContact O-N 3.14Å; G482-G484 PolarHBondContact O-N 3.48Å; G482-D501 WeakPolarHBondContact CA-OD2 3.11Å; G482-D501 PolarHBondContact N-OD2 2.89Å; G482-A506 CarbonylContact O-C 3.6Å
483	T	94.4	Very high	95	Very high	3 Å²	3	25.6 Å²	25.6	2%	0.018	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	14	176.1	56.9	0	0	0	0	113.8	A434 C481 T485 A506 D509 A510 N513	A434-T483 HydrophobicContact CB-CG2 3.76Å; C481-T483 PolarHBondContact O-N 3.23Å; T483-T485 PolarHBondContact OG1-OG1 3.26Å; T483-A506 WeakPolarHBondContact CA-O 3.31Å; T483-A506 HydrophobicContact CG2-CB 4.44Å; T483-D509 HydrophobicContact CG2-CB 3.77Å; T483-A510 VanDerWaalsContact C-CB 3.46Å; T483-A510 VanDerWaalsContact O-CA 3.24Å; T483-A510 WeakPolarHBondContact O-CA 3.49Å; T483-A510 WeakPolarHBondContact O-CB 3.26Å; T483-N513 PolarHBondContact O-ND2 3.06Å
484	G	96.2	Very high	95.4	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.4	19.5	175.1	0	0	0	0	0	114.2	C481 G482 I486 A487 L488	C481-G484 WeakPolarHBondContact O-CA 3.39Å; C481-G484 PolarHBondContact O-N 3.23Å; G482-G484 PolarHBondContact O-N 3.48Å; G484-I486 PolarHBondContact O-N 3.46Å; G484-A487 PolarHBondContact O-N 3.24Å; G484-L488 VanDerWaalsContact O-CB 3.27Å; G484-L488 WeakPolarHBondContact O-CB 3.41Å; G484-L488 WeakPolarHBondContact O-CG 3.24Å; G484-L488 PolarHBondContact O-N 2.65Å
485	T	96.7	Very high	95.5	Very high	16 Å²	16	21.5 Å²	21.5	10%	0.098	11%	0.114	C	C	.	.	H	α-helix	trans	-58.8	-52.4	-174	-46.5	0	0	0	0	112.4	F428 F436 F447 T483 L488 C489	F428-T485 HydrophobicContact CE1-CG2 4.04Å; F428-T485 HydrophobicContact CE2-CG2 4.26Å; F428-T485 HydrophobicContact CZ-CG2 3.88Å; F436-T485 HydrophobicContact CE2-CG2 3.69Å; F436-T485 WeakPolarHBondContact CE2-OG1 3.36Å; F436-T485 HydrophobicContact CZ-CG2 3.97Å; F447-T485 HydrophobicContact CE2-CG2 3.61Å; F447-T485 HydrophobicContact CZ-CG2 3.82Å; T483-T485 PolarHBondContact OG1-OG1 3.26Å; T485-L488 PolarHBondContact O-N 3.37Å; T485-C489 WeakPolarHBondContact O-CB 3.31Å; T485-C489 PolarHBondContact O-N 3.39Å; T485-C489 PolarHBondContact O-SG 3.46Å
486	I	97.1	Very high	95.5	Very high	10 Å²	10	24.3 Å²	24.3	5%	0.051	12%	0.124	C	C	.	.	H	α-helix	trans	-61.7	-54.4	178.8	-64.8	166.9	0	0	0	110	F447 G484 L488 C489 L490 I549 D551 I577	F447-I486 HydrophobicContact CD1-CG1 3.77Å; F447-I486 HydrophobicContact CE1-CD1 4.13Å; F447-I486 HydrophobicContact CE1-CG1 3.35Å; F447-I486 HydrophobicContact CZ-CG1 3.99Å; G484-I486 PolarHBondContact O-N 3.46Å; I486-L488 VanDerWaalsContact C-N 3.3Å; I486-L488 PolarHBondContact O-N 3.47Å; I486-C489 PolarHBondContact O-N 3.06Å; I486-L490 HydrophobicContact CG2-CD1 4.4Å; I486-L490 HydrophobicContact CG2-CD2 4.34Å; I486-L490 WeakPolarHBondContact O-CB 3.15Å; I486-L490 WeakPolarHBondContact O-CD1 3.46Å; I486-L490 PolarHBondContact O-N 2.99Å; I486-I549 HydrophobicContact CG2-CD1 3.56Å; I486-I549 HydrophobicContact CG2-CG2 4.42Å; I486-D551 HydrophobicContact CD1-CB 4.27Å; I486-I577 HydrophobicContact CD1-CD1 3.63Å
487	A	98	Very high	95.6	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-48	-47.9	176.5	0	0	0	0	0	113.7	D478 G484 S491 V497 F524	D478-A487 HydrophobicContact CB-CB 4.06Å; D478-A487 WeakPolarHBondContact OD2-CB 3.44Å; D478-A487 PolarHBondContact OD2-N 3.46Å; D478-A487 VanDerWaalsContact OD2-N 3.1Å; G484-A487 PolarHBondContact O-N 3.24Å; A487-S491 WeakPolarHBondContact O-CB 3.39Å; A487-S491 PolarHBondContact O-N 3.43Å; A487-S491 VanDerWaalsContact O-N 3.07Å; A487-V497 HydrophobicContact CB-CG1 3.63Å; A487-F524 HydrophobicContact CB-CE1 3.88Å; A487-F524 HydrophobicContact CB-CZ 3.98Å
488	L	98.5	Very high	95.6	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.005	12%	0.124	C	C	.	.	H	α-helix	trans	-72.4	-44.5	-177.4	-69.9	171.1	0	0	0	112.1	L426 F428 G484 T485 I486 L490 S491 N513 A514 I519 V522 F524	L426-L488 HydrophobicContact CD1-CB 4.23Å; F428-L488 HydrophobicContact CD1-CD1 4.42Å; F428-L488 HydrophobicContact CE1-CB 4.04Å; F428-L488 HydrophobicContact CE1-CD1 3.7Å; F428-L488 HydrophobicContact CE1-CG 4.48Å; F428-L488 HydrophobicContact CZ-CB 4.09Å; G484-L488 VanDerWaalsContact O-CB 3.27Å; G484-L488 WeakPolarHBondContact O-CB 3.41Å; G484-L488 WeakPolarHBondContact O-CG 3.24Å; G484-L488 PolarHBondContact O-N 2.65Å; T485-L488 PolarHBondContact O-N 3.37Å; I486-L488 VanDerWaalsContact C-N 3.3Å; I486-L488 PolarHBondContact O-N 3.47Å; L488-L490 PolarHBondContact O-N 2.99Å; L488-S491 WeakPolarHBondContact O-CB 3.24Å; L488-S491 PolarHBondContact O-N 3.34Å; L488-S491 VanDerWaalsContact O-N 3.16Å; L488-S491 PolarHBondContact O-OG 3.5Å; L488-N513 HydrophobicContact CD1-CB 3.43Å; L488-N513 VanDerWaalsContact CD1-CB 3.43Å; L488-A514 HydrophobicContact CD2-CB 3.92Å; L488-I519 HydrophobicContact CB-CD1 4.28Å; L488-I519 HydrophobicContact CD2-CB 4.28Å; L488-I519 HydrophobicContact CD2-CD1 3.87Å; L488-I519 HydrophobicContact CD2-CG2 4.24Å; L488-V522 HydrophobicContact CD2-CB 4.46Å; L488-V522 HydrophobicContact CD2-CG1 4.11Å; L488-V522 HydrophobicContact CD2-CG2 3.9Å; L488-F524 HydrophobicContact CD1-CZ 4.43Å; L488-F524 HydrophobicContact CD2-CE2 4.08Å; L488-F524 HydrophobicContact CD2-CZ 4.15Å; L488-F524 HydrophobicContact CG-CE2 4.31Å; L488-F524 HydrophobicContact CG-CZ 3.99Å
489	C	97.3	Very high	95.7	Very high	10 Å²	10	24.2 Å²	24.2	7%	0.068	12%	0.124	C	C	.	.	H	α-helix	trans	-61.6	-33	178.3	-68.8	0	0	0	0	112.4	C424 F447 T485 I486	C424-C489 HydrophobicContact CB-CB 4.05Å; F447-C489 HydrophobicContact CD2-CB 4.13Å; T485-C489 WeakPolarHBondContact O-CB 3.31Å; T485-C489 PolarHBondContact O-N 3.39Å; T485-C489 PolarHBondContact O-SG 3.46Å; I486-C489 PolarHBondContact O-N 3.06Å
490	L	96.5	Very high	95.6	Very high	4 Å²	4	24.3 Å²	24.3	2%	0.021	12%	0.124	C	C	.	.	H	α-helix	trans	-90.2	-9.9	179.3	-86	64.1	0	0	0	113.4	F447 I450 L476 I486 L488 K492 H493 F494 I549	F447-L490 HydrophobicContact CB-CD1 4.06Å; I450-L490 HydrophobicContact CG2-CD2 3.72Å; L476-L490 HydrophobicContact CD2-CB 3.93Å; L476-L490 HydrophobicContact CD2-CD2 4.22Å; I486-L490 HydrophobicContact CG2-CD1 4.4Å; I486-L490 HydrophobicContact CG2-CD2 4.34Å; I486-L490 WeakPolarHBondContact O-CB 3.15Å; I486-L490 WeakPolarHBondContact O-CD1 3.46Å; I486-L490 PolarHBondContact O-N 2.99Å; L488-L490 PolarHBondContact O-N 2.99Å; L490-K492 PolarHBondContact O-N 3.03Å; L490-K492 VanDerWaalsContact O-N 3.08Å; L490-H493 WeakPolarHBondContact O-CB 3.47Å; L490-H493 PolarHBondContact O-N 3.08Å; L490-F494 HydrophobicContact CB-CD2 4.48Å; L490-F494 HydrophobicContact CB-CE2 4.14Å; L490-F494 HydrophobicContact CD2-CE2 4.45Å; L490-F494 WeakPolarHBondContact O-CD2 3.42Å; L490-I549 HydrophobicContact CD2-CD1 3.91Å
491	S	96.6	Very high	95.6	Very high	8 Å²	8	24 Å²	24	6%	0.056	12%	0.12	C	C	.	.	G	3₁₀ helix	trans	-54.3	-34.9	-170.1	64.5	0	0	0	0	114.8	A487 L488 H493 F494 N521	A487-S491 WeakPolarHBondContact O-CB 3.39Å; A487-S491 PolarHBondContact O-N 3.43Å; A487-S491 VanDerWaalsContact O-N 3.07Å; L488-S491 WeakPolarHBondContact O-CB 3.24Å; L488-S491 PolarHBondContact O-N 3.34Å; L488-S491 VanDerWaalsContact O-N 3.16Å; L488-S491 PolarHBondContact O-OG 3.5Å; S491-H493 PolarHBondContact O-N 2.99Å; S491-H493 VanDerWaalsContact O-N 3.13Å; S491-F494 PolarHBondContact O-N 3.17Å; S491-N521 PolarHBondContact O-ND2 2.99Å
492	K	93.3	Very high	95.4	Very high	160 Å²	160	30.4 Å²	30.4	70%	0.696	15%	0.151	S	C	*	.	G	3₁₀ helix	trans	-62.9	-15.5	177.1	68.6	-175.1	178.9	-174.1	0	114.9	L490	L490-K492 PolarHBondContact O-N 3.03Å; L490-K492 VanDerWaalsContact O-N 3.08Å
493	H	91.6	Very high	95.2	Very high	68 Å²	68	32 Å²	32	32%	0.315	16%	0.158	S	C	.	.	G	3₁₀ helix	trans	-97.2	-4	-179.4	-59	-66.8	0	0	0	113.3	S451 R474 L490 S491	S451-H493 PolarHBondContact OG-CD2 3.23Å; R474-H493 PolarHBondContact NH1-O 3.24Å; L490-H493 WeakPolarHBondContact O-CB 3.47Å; L490-H493 PolarHBondContact O-N 3.08Å; S491-H493 PolarHBondContact O-N 2.99Å; S491-H493 VanDerWaalsContact O-N 3.13Å
494	F	93.8	Very high	95.1	Very high	12 Å²	12	36.6 Å²	36.6	5%	0.053	18%	0.183	C	C	.	.			trans	-129	151.4	-174.1	-64.8	-87.6	0	0	0	111.6	C454 R474 L476 L490 S491 R496 V497 N521	C454-F494 HydrophobicContact CB-CZ 3.81Å; R474-F494 HydrophobicContact CB-CD1 4.06Å; L476-F494 HydrophobicContact CB-CB 4.42Å; L476-F494 HydrophobicContact CB-CD1 3.75Å; L476-F494 HydrophobicContact CB-CD2 3.8Å; L476-F494 HydrophobicContact CB-CE1 3.85Å; L476-F494 HydrophobicContact CB-CE2 3.91Å; L476-F494 HydrophobicContact CB-CG 3.71Å; L476-F494 HydrophobicContact CB-CZ 3.92Å; L476-F494 HydrophobicContact CD1-CE1 4.46Å; L476-F494 HydrophobicContact CD1-CE2 4.36Å; L476-F494 HydrophobicContact CD1-CZ 4.03Å; L476-F494 HydrophobicContact CD2-CD2 4.06Å; L476-F494 HydrophobicContact CD2-CE2 3.81Å; L476-F494 HydrophobicContact CD2-CZ 4.33Å; L476-F494 HydrophobicContact CG-CD2 4.49Å; L476-F494 HydrophobicContact CG-CE2 4.25Å; L476-F494 HydrophobicContact CG-CZ 4.32Å; L490-F494 HydrophobicContact CB-CD2 4.48Å; L490-F494 HydrophobicContact CB-CE2 4.14Å; L490-F494 HydrophobicContact CD2-CE2 4.45Å; L490-F494 WeakPolarHBondContact O-CD2 3.42Å; S491-F494 PolarHBondContact O-N 3.17Å; F494-R496 VanDerWaalsContact C-N 3.34Å; F494-V497 HydrophobicContact CB-CG2 3.92Å; F494-V497 HydrophobicContact CD2-CG2 4.48Å; F494-V497 HydrophobicContact CG-CG2 4.47Å; F494-N521 PolarHBondContact O-ND2 2.92Å
495	D	93.3	Very high	94.7	Very high	98 Å²	98	39 Å²	39	52%	0.524	20%	0.199	S	C	.	.	S	Bend	trans	-75.8	-28.6	173.6	-60.5	-66.6	0	0	0	111.7	K473 R474	K473-D495 WeakPolarHBondContact CA-OD2 3.46Å; K473-D495 HydrophobicContact CB-CB 4.45Å; R474-D495 PolarHBondContact N-OD2 3.42Å; R474-D495 PolarHBondContact O-N 2.96Å
496	R	94.4	Very high	94.5	Very high	60 Å²	60	38.6 Å²	38.6	23%	0.226	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	136.2	178.6	-172.9	-177.7	-176	-158.6	-0.7	110.5	R474 I475 L476 F494 I498 N521 E523	R474-R496 PolarHBondContact O-N 2.76Å; I475-R496 CarbonylContact C-O 3.48Å; I475-R496 VanDerWaalsContact CA-O 3.28Å; I475-R496 WeakPolarHBondContact CA-O 3.4Å; I475-R496 HydrophobicContact CG1-CB 4.29Å; I475-R496 HydrophobicContact CG2-CB 4.42Å; L476-R496 PolarHBondContact N-O 3Å; F494-R496 VanDerWaalsContact C-N 3.34Å; R496-I498 HydrophobicContact CG-CG1 4.33Å; R496-N521 CarbonylContact C-O 3.58Å; R496-N521 WeakPolarHBondContact CA-O 3.16Å; R496-E523 IonicContact CZ-OE1 2.63Å; R496-E523 IonicContact NE-OE1 3.82Å; R496-E523 PolarHBondContact NE-OE1 3.03Å; R496-E523 IonicContact NH2-OE1 3.46Å; R496-E523 PolarHBondContact NH2-OE1 3.41Å; R496-E523 IonicContact NH2-OE2 3.46Å; R496-E523 PolarHBondContact NH2-OE2 3.49Å
497	V	97.2	Very high	94.4	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	135.9	173.4	-176.4	0	0	0	0	110.1	L476 A487 F494 N521 V522 E523	L476-V497 HydrophobicContact CB-CB 4.39Å; L476-V497 HydrophobicContact CB-CG1 4.08Å; L476-V497 HydrophobicContact CB-CG2 4.06Å; L476-V497 HydrophobicContact CD2-CG1 3.97Å; L476-V497 HydrophobicContact CD2-CG2 4.45Å; L476-V497 HydrophobicContact CG-CG1 4.15Å; L476-V497 CarbonylContact O-C 3.58Å; L476-V497 WeakPolarHBondContact O-CA 3.47Å; A487-V497 HydrophobicContact CB-CG1 3.63Å; F494-V497 HydrophobicContact CB-CG2 3.92Å; F494-V497 HydrophobicContact CD2-CG2 4.48Å; F494-V497 HydrophobicContact CG-CG2 4.47Å; V497-N521 PolarHBondContact N-O 3.17Å; V497-V522 HydrophobicContact CB-CB 4.39Å; V497-V522 HydrophobicContact CB-CG1 3.67Å; V497-V522 HydrophobicContact CG1-CG1 4.25Å; V497-V522 HydrophobicContact CG2-CG1 4.17Å; V497-V522 CarbonylContact O-C 3.6Å; V497-V522 VanDerWaalsContact O-CA 3.3Å; V497-V522 WeakPolarHBondContact O-CA 3.35Å; V497-E523 PolarHBondContact O-N 2.81Å
498	I	96.5	Very high	94.2	Very high	1 Å²	1	42.3 Å²	42.3	1%	0.005	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	116.6	-180	-55.6	173.6	0	0	0	108.6	L476 L477 D478 R496 I500 E523 F525 T536 L540	L476-I498 PolarHBondContact O-N 2.96Å; L477-I498 CarbonylContact C-O 3.52Å; L477-I498 WeakPolarHBondContact CA-O 3.19Å; L477-I498 HydrophobicContact CD1-CB 4.09Å; L477-I498 HydrophobicContact CD1-CG2 4.06Å; D478-I498 PolarHBondContact N-O 3.08Å; R496-I498 HydrophobicContact CG-CG1 4.33Å; I498-I500 HydrophobicContact CG2-CG1 4.43Å; I498-E523 CarbonylContact C-O 3.47Å; I498-E523 WeakPolarHBondContact CA-O 3.45Å; I498-F525 HydrophobicContact CG2-CD2 3.84Å; I498-F525 HydrophobicContact CG2-CE2 3.77Å; I498-T536 HydrophobicContact CB-CG2 4.42Å; I498-T536 HydrophobicContact CD1-CG2 3.64Å; I498-T536 HydrophobicContact CG2-CG2 3.84Å; I498-L540 HydrophobicContact CD1-CD2 4.19Å
499	G	97.6	Very high	93.9	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	135.6	174.5	0	0	0	0	0	111.9	D478 C481 E523 F524 F525	D478-G499 WeakPolarHBondContact O-CA 3.47Å; C481-G499 VanDerWaalsContact SG-C 3.57Å; G499-E523 PolarHBondContact N-O 3.04Å; G499-F524 WeakPolarHBondContact O-CA 3.44Å; G499-F525 PolarHBondContact O-N 3.35Å
500	I	96	Very high	93.8	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.005	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	127.2	177.3	-60.6	170	0	0	0	109.3	L477 D478 C480 C481 I498 M532 L533	L477-I500 HydrophobicContact CD1-CD1 3.88Å; L477-I500 HydrophobicContact CD1-CG1 4.48Å; D478-I500 PolarHBondContact O-N 2.81Å; C480-I500 VanDerWaalsContact CA-O 3.28Å; C480-I500 WeakPolarHBondContact CA-O 3.19Å; C480-I500 PolarHBondContact N-O 2.88Å; C481-I500 PolarHBondContact N-O 2.79Å; C481-I500 VanDerWaalsContact N-O 3.12Å; C481-I500 PolarHBondContact SG-N 2.87Å; C481-I500 VanDerWaalsContact SG-N 3.42Å; I498-I500 HydrophobicContact CG2-CG1 4.43Å; I500-M532 HydrophobicContact CD1-CB 3.83Å; I500-M532 HydrophobicContact CG1-CB 4.12Å; I500-M532 HydrophobicContact CG2-CB 3.59Å; I500-M532 HydrophobicContact CG2-CG 3.98Å; I500-L533 HydrophobicContact CD1-CD2 3.85Å; I500-L533 HydrophobicContact CD1-CG 4.13Å
501	D	94.4	Very high	93.9	Very high	22 Å²	22	46.7 Å²	46.7	12%	0.118	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	154.8	170.9	-157.8	-76.5	0	0	0	110.9	G482 C503 I507 F525 A526 G527	G482-D501 WeakPolarHBondContact CA-OD2 3.11Å; G482-D501 PolarHBondContact N-OD2 2.89Å; D501-C503 WeakPolarHBondContact OD1-CB 3.29Å; D501-C503 PolarHBondContact OD1-N 2.89Å; D501-I507 HydrophobicContact CB-CD1 3.64Å; D501-I507 HydrophobicContact CB-CG1 3.98Å; D501-F525 PolarHBondContact N-O 2.79Å; D501-A526 CarbonylContact O-C 3.56Å; D501-A526 VanDerWaalsContact O-CA 3.3Å; D501-A526 WeakPolarHBondContact O-CA 3.36Å; D501-G527 CarbonylContact C-O 3.58Å; D501-G527 PolarHBondContact O-N 3.41Å; D501-G527 VanDerWaalsContact O-O 3.13Å
502	M	91.1	Very high	93.9	Very high	145 Å²	145	48.7 Å²	48.7	71%	0.714	25%	0.248	S	C	*	.	S	Bend	trans	-81.9	-17.9	176.9	68.6	178.1	-57.5	0	0	113.6	G527	M502-G527 VanDerWaalsContact CA-O 3.3Å; M502-G527 WeakPolarHBondContact CA-O 3.39Å
503	C	89.4	Confident	94.1	Very high	52 Å²	52	41 Å²	41	35%	0.351	22%	0.215	S	C	.	.			trans	-90	110.8	-176.7	-170.5	0	0	0	0	110.7	D501 S505 A506 I507	D501-C503 WeakPolarHBondContact OD1-CB 3.29Å; D501-C503 PolarHBondContact OD1-N 2.89Å; C503-S505 PolarHBondContact O-N 3.46Å; C503-S505 PolarHBondContact SG-OG 2.84Å; C503-A506 HydrophobicContact CB-CB 3.85Å; C503-A506 PolarHBondContact O-N 3.06Å; C503-I507 PolarHBondContact O-N 2.57Å; C503-I507 VanDerWaalsContact O-N 3.16Å
504	N	91.4	Very high	94.4	Very high	101 Å²	101	38.2 Å²	38.2	54%	0.54	20%	0.203	S	C	.	.	H	α-helix	trans	-61	-42.2	-178.2	-168.2	79	0	0	0	112.6	A506 I507 E508 A526	N504-A506 VanDerWaalsContact C-N 3.32Å; N504-A506 PolarHBondContact O-N 2.86Å; N504-I507 PolarHBondContact O-N 3.24Å; N504-E508 WeakPolarHBondContact O-CG 3.49Å; N504-E508 PolarHBondContact O-N 2.91Å; N504-A526 HydrophobicContact CB-CB 4.36Å; N504-A526 WeakPolarHBondContact OD1-CB 3.3Å
505	S	88.9	Confident	94.6	Very high	49 Å²	49	45.6 Å²	45.6	34%	0.343	24%	0.235	S	C	.	.	H	α-helix	trans	-62.9	-38.1	178.5	51.8	0	0	0	0	112.4	C503 I507 E508 D509	C503-S505 PolarHBondContact O-N 3.46Å; C503-S505 PolarHBondContact SG-OG 2.84Å; S505-I507 VanDerWaalsContact C-N 3.34Å; S505-I507 PolarHBondContact O-N 2.93Å; S505-E508 PolarHBondContact O-N 2.83Å; S505-D509 PolarHBondContact O-N 3.35Å
506	A	90.7	Very high	94.8	Very high	9 Å²	9	44.1 Å²	44.1	7%	0.074	23%	0.226	C	C	.	.	H	α-helix	trans	-64.9	-37.5	175.1	0	0	0	0	0	112.3	G482 T483 C503 N504 D509 A510	G482-A506 CarbonylContact O-C 3.6Å; T483-A506 WeakPolarHBondContact CA-O 3.31Å; T483-A506 HydrophobicContact CG2-CB 4.44Å; C503-A506 HydrophobicContact CB-CB 3.85Å; C503-A506 PolarHBondContact O-N 3.06Å; N504-A506 VanDerWaalsContact C-N 3.32Å; N504-A506 PolarHBondContact O-N 2.86Å; A506-D509 WeakPolarHBondContact O-CB 3.34Å; A506-D509 PolarHBondContact O-N 3.39Å; A506-A510 WeakPolarHBondContact O-CB 3.37Å; A506-A510 PolarHBondContact O-N 3.4Å
507	I	95	Very high	95	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-69.6	-36.5	175.7	-68.8	-56.3	0	0	0	112.5	D501 C503 N504 S505 A510 K511 F524 A526	D501-I507 HydrophobicContact CB-CD1 3.64Å; D501-I507 HydrophobicContact CB-CG1 3.98Å; C503-I507 PolarHBondContact O-N 2.57Å; C503-I507 VanDerWaalsContact O-N 3.16Å; N504-I507 PolarHBondContact O-N 3.24Å; S505-I507 VanDerWaalsContact C-N 3.34Å; S505-I507 PolarHBondContact O-N 2.93Å; I507-A510 WeakPolarHBondContact O-CB 3.37Å; I507-A510 PolarHBondContact O-N 3.14Å; I507-K511 HydrophobicContact CG2-CD 4.43Å; I507-K511 WeakPolarHBondContact O-CG 3.38Å; I507-K511 PolarHBondContact O-N 3.23Å; I507-F524 HydrophobicContact CD1-CB 4.21Å; I507-F524 HydrophobicContact CD1-CD1 4.44Å; I507-F524 HydrophobicContact CG2-CB 4.01Å; I507-A526 HydrophobicContact CB-CB 4.02Å; I507-A526 HydrophobicContact CG1-CB 3.91Å; I507-A526 HydrophobicContact CG2-CB 4.09Å
508	E	93.8	Very high	95	Very high	88 Å²	88	48.8 Å²	48.8	41%	0.411	26%	0.256	S	S	.	.	H	α-helix	trans	-64.8	-40.9	173	-66	-52.1	126.3	0	0	111.4	N504 S505 A510 K511 S512	N504-E508 WeakPolarHBondContact O-CG 3.49Å; N504-E508 PolarHBondContact O-N 2.91Å; S505-E508 PolarHBondContact O-N 2.83Å; E508-A510 VanDerWaalsContact C-N 3.34Å; E508-A510 PolarHBondContact O-N 3.48Å; E508-K511 PolarHBondContact O-N 3.38Å; E508-K511 IonicContact OE1-NZ 2.81Å; E508-K511 PolarHBondContact OE1-NZ 2.92Å; E508-S512 WeakPolarHBondContact O-CB 3.3Å; E508-S512 PolarHBondContact O-N 3.47Å
509	D	92.4	Very high	95.1	Very high	17 Å²	17	49.7 Å²	49.7	9%	0.091	26%	0.261	C	S	.	.	H	α-helix	trans	-58.7	-45	169.8	-76.1	-4	0	0	0	110.9	S431 A434 T483 S505 A506 K511 S512 N513	S431-D509 VanDerWaalsContact CB-OD2 3.24Å; S431-D509 WeakPolarHBondContact CB-OD2 3.21Å; S431-D509 PolarHBondContact N-OD2 2.86Å; S431-D509 VanDerWaalsContact OG-CG 3.32Å; S431-D509 PolarHBondContact OG-OD1 2.71Å; S431-D509 PolarHBondContact OG-OD2 2.83Å; A434-D509 VanDerWaalsContact CB-OD2 3.28Å; A434-D509 WeakPolarHBondContact CB-OD2 3.32Å; T483-D509 HydrophobicContact CG2-CB 3.77Å; S505-D509 PolarHBondContact O-N 3.35Å; A506-D509 WeakPolarHBondContact O-CB 3.34Å; A506-D509 PolarHBondContact O-N 3.39Å; D509-K511 PolarHBondContact O-N 3Å; D509-S512 WeakPolarHBondContact O-CB 3.24Å; D509-S512 PolarHBondContact O-N 3.29Å; D509-N513 WeakPolarHBondContact O-CB 3.31Å; D509-N513 PolarHBondContact O-N 3.32Å; D509-N513 PolarHBondContact O-ND2 3.24Å; D509-N513 VanDerWaalsContact O-ND2 3.1Å
510	A	96.8	Very high	95.1	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-60.1	-43.6	179.2	0	0	0	0	0	113.1	T483 A506 I507 E508 N513 A514 F524	T483-A510 VanDerWaalsContact C-CB 3.46Å; T483-A510 VanDerWaalsContact O-CA 3.24Å; T483-A510 WeakPolarHBondContact O-CA 3.49Å; T483-A510 WeakPolarHBondContact O-CB 3.26Å; A506-A510 WeakPolarHBondContact O-CB 3.37Å; A506-A510 PolarHBondContact O-N 3.4Å; I507-A510 WeakPolarHBondContact O-CB 3.37Å; I507-A510 PolarHBondContact O-N 3.14Å; E508-A510 VanDerWaalsContact C-N 3.34Å; E508-A510 PolarHBondContact O-N 3.48Å; A510-N513 PolarHBondContact O-N 3.22Å; A510-A514 PolarHBondContact O-N 3.32Å; A510-F524 HydrophobicContact CB-CB 4.33Å; A510-F524 HydrophobicContact CB-CD1 3.75Å; A510-F524 HydrophobicContact CB-CD2 3.71Å; A510-F524 HydrophobicContact CB-CE1 3.92Å; A510-F524 HydrophobicContact CB-CE2 3.87Å; A510-F524 HydrophobicContact CB-CG 3.66Å; A510-F524 HydrophobicContact CB-CZ 3.99Å; A510-F524 WeakPolarHBondContact O-CE2 3.47Å
511	K	97.7	Very high	95.1	Very high	90 Å²	90	59.4 Å²	59.4	39%	0.391	31%	0.308	S	S	.	.	H	α-helix	trans	-65.4	-40.9	174.3	-67.8	171.1	-172.3	165.3	0	111.8	I507 E508 D509 N513 A514 K515 F524	I507-K511 HydrophobicContact CG2-CD 4.43Å; I507-K511 WeakPolarHBondContact O-CG 3.38Å; I507-K511 PolarHBondContact O-N 3.23Å; E508-K511 PolarHBondContact O-N 3.38Å; E508-K511 IonicContact OE1-NZ 2.81Å; E508-K511 PolarHBondContact OE1-NZ 2.92Å; D509-K511 PolarHBondContact O-N 3Å; K511-N513 VanDerWaalsContact C-N 3.31Å; K511-N513 PolarHBondContact O-N 3.13Å; K511-A514 PolarHBondContact O-N 2.72Å; K511-K515 PolarHBondContact O-N 3.37Å; K511-K515 VanDerWaalsContact O-N 3.08Å; K511-F524 HydrophobicContact CG-CB 4.12Å; K511-F524 HydrophobicContact CG-CD2 4.45Å
512	S	96.2	Very high	95.3	Very high	49 Å²	49	59.3 Å²	59.3	34%	0.343	31%	0.308	S	S	.	.	H	α-helix	trans	-62	-41.7	175.5	-172.1	0	0	0	0	111.1	E508 D509 K515 L516	E508-S512 WeakPolarHBondContact O-CB 3.3Å; E508-S512 PolarHBondContact O-N 3.47Å; D509-S512 WeakPolarHBondContact O-CB 3.24Å; D509-S512 PolarHBondContact O-N 3.29Å; S512-K515 PolarHBondContact O-N 2.98Å; S512-L516 WeakPolarHBondContact O-CB 3.41Å; S512-L516 PolarHBondContact O-N 2.96Å
513	N	97.8	Very high	95.6	Very high	0 Å²	0	56 Å²	56	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-66.1	-39.7	177	-69	-28.7	0	0	0	112.5	F428 H429 T483 L488 D509 A510 K511 L516 N517	F428-N513 HydrophobicContact CD1-CB 4.12Å; H429-N513 WeakPolarHBondContact CA-OD1 3.46Å; H429-N513 WeakPolarHBondContact CB-OD1 3.29Å; H429-N513 PolarHBondContact N-OD1 2.77Å; H429-N513 PolarHBondContact O-ND2 2.74Å; H429-N513 PolarHBondContact O-OD1 3.33Å; T483-N513 PolarHBondContact O-ND2 3.06Å; L488-N513 HydrophobicContact CD1-CB 3.43Å; L488-N513 VanDerWaalsContact CD1-CB 3.43Å; D509-N513 WeakPolarHBondContact O-CB 3.31Å; D509-N513 PolarHBondContact O-N 3.32Å; D509-N513 PolarHBondContact O-ND2 3.24Å; D509-N513 VanDerWaalsContact O-ND2 3.1Å; A510-N513 PolarHBondContact O-N 3.22Å; K511-N513 VanDerWaalsContact C-N 3.31Å; K511-N513 PolarHBondContact O-N 3.13Å; N513-L516 PolarHBondContact O-N 3.5Å; N513-N517 PolarHBondContact O-N 2.91Å; N513-N517 PolarHBondContact O-ND2 3.5Å
514	A	98.5	Very high	96	Very high	8 Å²	8	54.2 Å²	54.2	7%	0.066	28%	0.277	C	S	.	.	H	α-helix	trans	-58.8	-48.7	172.9	0	0	0	0	0	111.2	L488 A510 K511 L516 N517 D518 I519 V522 F524	L488-A514 HydrophobicContact CD2-CB 3.92Å; A510-A514 PolarHBondContact O-N 3.32Å; K511-A514 PolarHBondContact O-N 2.72Å; A514-L516 PolarHBondContact O-N 3.08Å; A514-N517 PolarHBondContact O-N 3.2Å; A514-D518 PolarHBondContact O-N 3.21Å; A514-I519 PolarHBondContact O-N 3.22Å; A514-V522 HydrophobicContact CB-CG2 3.53Å; A514-F524 HydrophobicContact CB-CE2 4.26Å
515	K	98	Very high	96.2	Very high	168 Å²	168	52.5 Å²	52.5	73%	0.73	27%	0.265	S	S	*	.	H	α-helix	trans	-63.1	-41.3	177.3	-173.8	-178.1	-176.3	-175.1	0	112.2	K511 S512 N517 D518	K511-K515 PolarHBondContact O-N 3.37Å; K511-K515 VanDerWaalsContact O-N 3.08Å; S512-K515 PolarHBondContact O-N 2.98Å; K515-N517 PolarHBondContact O-N 3.15Å; K515-D518 PolarHBondContact O-N 3.31Å
516	L	97	Very high	96.4	Very high	66 Å²	66	52 Å²	52	35%	0.346	26%	0.263	S	S	.	.	H	α-helix	trans	-62.4	-31	-178.9	178.9	62.6	0	0	0	113	N427 H429 S512 N513 A514	N427-L516 HydrophobicContact CB-CD2 3.87Å; N427-L516 HydrophobicContact CB-CG 4.29Å; N427-L516 WeakPolarHBondContact O-CD2 3.44Å; H429-L516 WeakPolarHBondContact CD2-CD2 3.48Å; S512-L516 WeakPolarHBondContact O-CB 3.41Å; S512-L516 PolarHBondContact O-N 2.96Å; N513-L516 PolarHBondContact O-N 3.5Å; A514-L516 PolarHBondContact O-N 3.08Å
517	N	98.3	Very high	96.4	Very high	28 Å²	28	52.6 Å²	52.6	15%	0.15	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.8	10.8	-179.9	-63.9	-80	0	0	0	113.1	L426 N427 N513 A514 K515 I519	L426-N517 WeakPolarHBondContact CA-OD1 3.38Å; L426-N517 WeakPolarHBondContact CB-OD1 3.49Å; L426-N517 HydrophobicContact CD2-CB 4.15Å; N427-N517 PolarHBondContact N-OD1 3Å; N427-N517 PolarHBondContact O-ND2 3.37Å; N513-N517 PolarHBondContact O-N 2.91Å; N513-N517 PolarHBondContact O-ND2 3.5Å; A514-N517 PolarHBondContact O-N 3.2Å; K515-N517 PolarHBondContact O-N 3.15Å; N517-I519 HydrophobicContact CB-CD1 3.75Å; N517-I519 HydrophobicContact CB-CG1 3.88Å; N517-I519 PolarHBondContact O-N 3.48Å
518	D	97.9	Very high	96	Very high	130 Å²	130	58.4 Å²	58.4	70%	0.695	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.7	32.5	-177.6	-61.7	-55.4	0	0	0	114.3	A514 K515	A514-D518 PolarHBondContact O-N 3.21Å; K515-D518 PolarHBondContact O-N 3.31Å
519	I	98.3	Very high	95.7	Very high	21 Å²	21	54.9 Å²	54.9	11%	0.108	28%	0.282	C	S	.	.			trans	-90.5	113.6	-179.3	-58.9	171.7	0	0	0	109.5	L426 L488 A514 N517 N521 V522	L426-I519 HydrophobicContact CD1-CD1 3.88Å; L426-I519 HydrophobicContact CD2-CD1 4.3Å; L488-I519 HydrophobicContact CB-CD1 4.28Å; L488-I519 HydrophobicContact CD2-CB 4.28Å; L488-I519 HydrophobicContact CD2-CD1 3.87Å; L488-I519 HydrophobicContact CD2-CG2 4.24Å; A514-I519 PolarHBondContact O-N 3.22Å; N517-I519 HydrophobicContact CB-CD1 3.75Å; N517-I519 HydrophobicContact CB-CG1 3.88Å; N517-I519 PolarHBondContact O-N 3.48Å; I519-N521 VanDerWaalsContact CG2-OD1 3.27Å; I519-N521 WeakPolarHBondContact CG2-OD1 3.07Å; I519-V522 HydrophobicContact CG2-CB 4.48Å; I519-V522 HydrophobicContact CG2-CG1 3.72Å; I519-V522 HydrophobicContact CG2-CG2 3.99Å
520	Q	97.3	Very high	95.3	Very high	157 Å²	157	56.2 Å²	56.2	73%	0.734	29%	0.287	S	S	*	.			trans	-104	-16.5	-172.1	-57.7	-60.7	-27.4	0	0	114.5	V522	Q520-V522 PolarHBondContact O-N 3.21Å
521	N	97.3	Very high	94.8	Very high	48 Å²	48	60.3 Å²	60.3	26%	0.257	31%	0.309	S	S	.	.	S	Bend	trans	-87.2	19.1	-177.2	68.9	-31.8	0	0	0	113.3	S491 F494 R496 V497 I519	S491-N521 PolarHBondContact O-ND2 2.99Å; F494-N521 PolarHBondContact O-ND2 2.92Å; R496-N521 CarbonylContact C-O 3.58Å; R496-N521 WeakPolarHBondContact CA-O 3.16Å; V497-N521 PolarHBondContact N-O 3.17Å; I519-N521 VanDerWaalsContact CG2-OD1 3.27Å; I519-N521 WeakPolarHBondContact CG2-OD1 3.07Å
522	V	98.2	Very high	94.3	Very high	20 Å²	20	57.6 Å²	57.6	12%	0.121	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	141.1	-176.5	-63	0	0	0	0	112	L488 V497 A514 I519 Q520 F524	L488-V522 HydrophobicContact CD2-CB 4.46Å; L488-V522 HydrophobicContact CD2-CG1 4.11Å; L488-V522 HydrophobicContact CD2-CG2 3.9Å; V497-V522 HydrophobicContact CB-CB 4.39Å; V497-V522 HydrophobicContact CB-CG1 3.67Å; V497-V522 HydrophobicContact CG1-CG1 4.25Å; V497-V522 HydrophobicContact CG2-CG1 4.17Å; V497-V522 CarbonylContact O-C 3.6Å; V497-V522 VanDerWaalsContact O-CA 3.3Å; V497-V522 WeakPolarHBondContact O-CA 3.35Å; A514-V522 HydrophobicContact CB-CG2 3.53Å; I519-V522 HydrophobicContact CG2-CB 4.48Å; I519-V522 HydrophobicContact CG2-CG1 3.72Å; I519-V522 HydrophobicContact CG2-CG2 3.99Å; Q520-V522 PolarHBondContact O-N 3.21Å; V522-F524 HydrophobicContact CB-CE2 4.14Å; V522-F524 HydrophobicContact CB-CZ 4.47Å; V522-F524 HydrophobicContact CG2-CE2 3.91Å
523	E	96.9	Very high	93.8	Very high	74 Å²	74	55.2 Å²	55.2	35%	0.346	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	130.6	175.2	-65.6	170.6	-102.7	0	0	109.8	R496 V497 I498 G499 F525	R496-E523 IonicContact CZ-OE1 2.63Å; R496-E523 IonicContact NE-OE1 3.82Å; R496-E523 PolarHBondContact NE-OE1 3.03Å; R496-E523 IonicContact NH2-OE1 3.46Å; R496-E523 PolarHBondContact NH2-OE1 3.41Å; R496-E523 IonicContact NH2-OE2 3.46Å; R496-E523 PolarHBondContact NH2-OE2 3.49Å; V497-E523 PolarHBondContact O-N 2.81Å; I498-E523 CarbonylContact C-O 3.47Å; I498-E523 WeakPolarHBondContact CA-O 3.45Å; G499-E523 PolarHBondContact N-O 3.04Å; E523-F525 HydrophobicContact CB-CE2 3.69Å; E523-F525 HydrophobicContact CB-CZ 3.97Å
524	F	97.3	Very high	93.2	Very high	15 Å²	15	61.2 Å²	61.2	7%	0.066	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	129.8	-177.7	-70.6	-68.7	0	0	0	111.9	A487 L488 G499 I507 A510 K511 A514 V522	A487-F524 HydrophobicContact CB-CE1 3.88Å; A487-F524 HydrophobicContact CB-CZ 3.98Å; L488-F524 HydrophobicContact CD1-CZ 4.43Å; L488-F524 HydrophobicContact CD2-CE2 4.08Å; L488-F524 HydrophobicContact CD2-CZ 4.15Å; L488-F524 HydrophobicContact CG-CE2 4.31Å; L488-F524 HydrophobicContact CG-CZ 3.99Å; G499-F524 WeakPolarHBondContact O-CA 3.44Å; I507-F524 HydrophobicContact CD1-CB 4.21Å; I507-F524 HydrophobicContact CD1-CD1 4.44Å; I507-F524 HydrophobicContact CG2-CB 4.01Å; A510-F524 HydrophobicContact CB-CB 4.33Å; A510-F524 HydrophobicContact CB-CD1 3.75Å; A510-F524 HydrophobicContact CB-CD2 3.71Å; A510-F524 HydrophobicContact CB-CE1 3.92Å; A510-F524 HydrophobicContact CB-CE2 3.87Å; A510-F524 HydrophobicContact CB-CG 3.66Å; A510-F524 HydrophobicContact CB-CZ 3.99Å; A510-F524 WeakPolarHBondContact O-CE2 3.47Å; K511-F524 HydrophobicContact CG-CB 4.12Å; K511-F524 HydrophobicContact CG-CD2 4.45Å; A514-F524 HydrophobicContact CB-CE2 4.26Å; V522-F524 HydrophobicContact CB-CE2 4.14Å; V522-F524 HydrophobicContact CB-CZ 4.47Å; V522-F524 HydrophobicContact CG2-CE2 3.91Å
525	F	95.4	Very high	92.5	Very high	66 Å²	66	65.6 Å²	65.6	29%	0.289	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	126.1	-175.9	-58.7	-80.8	0	0	0	112.7	I498 G499 D501 E523 M532	I498-F525 HydrophobicContact CG2-CD2 3.84Å; I498-F525 HydrophobicContact CG2-CE2 3.77Å; G499-F525 PolarHBondContact O-N 3.35Å; D501-F525 PolarHBondContact N-O 2.79Å; E523-F525 HydrophobicContact CB-CE2 3.69Å; E523-F525 HydrophobicContact CB-CZ 3.97Å; F525-M532 HydrophobicContact CB-CE 3.45Å; F525-M532 VanDerWaalsContact CB-CE 3.45Å; F525-M532 HydrophobicContact CB-CG 4.48Å; F525-M532 HydrophobicContact CD1-CE 3.86Å; F525-M532 HydrophobicContact CG-CE 3.75Å
526	A	93.6	Very high	92	Very high	38 Å²	38	58 Å²	58	31%	0.314	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	122.7	174	0	0	0	0	0	110.8	D501 N504 I507	D501-A526 CarbonylContact O-C 3.56Å; D501-A526 VanDerWaalsContact O-CA 3.3Å; D501-A526 WeakPolarHBondContact O-CA 3.36Å; N504-A526 HydrophobicContact CB-CB 4.36Å; N504-A526 WeakPolarHBondContact OD1-CB 3.3Å; I507-A526 HydrophobicContact CB-CB 4.02Å; I507-A526 HydrophobicContact CG1-CB 3.91Å; I507-A526 HydrophobicContact CG2-CB 4.09Å
527	G	90.5	Very high	91.3	Very high	21 Å²	21	56 Å²	56	22%	0.216	28%	0.283	C	S	.	.	S	Bend	trans	165.2	171.5	176	0	0	0	0	0	113.2	D501 M502 A529	D501-G527 CarbonylContact C-O 3.58Å; D501-G527 PolarHBondContact O-N 3.41Å; D501-G527 VanDerWaalsContact O-O 3.13Å; M502-G527 VanDerWaalsContact CA-O 3.3Å; M502-G527 WeakPolarHBondContact CA-O 3.39Å; G527-A529 PolarHBondContact O-N 2.82Å
528	K	87.8	Confident	90.6	Very high	123 Å²	123	60.4 Å²	60.4	54%	0.535	31%	0.307	S	S	.	.			trans	-62.3	132.3	172.3	-61.6	-169.5	-175	175	0	109.6	E530 N531 M532	K528-E530 HydrophobicContact CB-CG 4.37Å; K528-E530 WeakPolarHBondContact CD-OE1 3.24Å; K528-E530 PolarHBondContact O-N 3.25Å; K528-E530 VanDerWaalsContact O-N 3.09Å; K528-N531 PolarHBondContact O-N 2.97Å; K528-M532 PolarHBondContact O-N 2.61Å; K528-M532 VanDerWaalsContact O-N 3.15Å
529	A	86.1	Confident	90	Very high	14 Å²	14	57.1 Å²	57.1	12%	0.116	30%	0.295	C	S	.	.	H	α-helix	trans	-51.1	-38.8	-178.2	0	0	0	0	0	112	V479 G527 N531 M532 L533 V561	V479-A529 HydrophobicContact CG1-CB 4.2Å; G527-A529 PolarHBondContact O-N 2.82Å; A529-N531 VanDerWaalsContact C-N 3.29Å; A529-N531 PolarHBondContact O-N 3.06Å; A529-M532 PolarHBondContact O-N 3.21Å; A529-L533 HydrophobicContact CB-CD1 4.27Å; A529-L533 WeakPolarHBondContact O-CB 3.44Å; A529-L533 WeakPolarHBondContact O-CD1 3.46Å; A529-L533 WeakPolarHBondContact O-CG 3.27Å; A529-L533 PolarHBondContact O-N 3.32Å; A529-V561 HydrophobicContact CB-CG1 4.23Å; A529-V561 HydrophobicContact CB-CG2 3.72Å
530	E	84.9	Confident	89.4	Confident	44 Å²	44	56.9 Å²	56.9	21%	0.206	29%	0.294	C	S	.	.	H	α-helix	trans	-64.1	-28.8	179.3	64.5	-90.4	-163	0	0	115.5	K528 V561 L564	K528-E530 HydrophobicContact CB-CG 4.37Å; K528-E530 WeakPolarHBondContact CD-OE1 3.24Å; K528-E530 PolarHBondContact O-N 3.25Å; K528-E530 VanDerWaalsContact O-N 3.09Å; E530-V561 HydrophobicContact CB-CG2 4.44Å; E530-L564 VanDerWaalsContact CA-CD1 3.45Å; E530-L564 HydrophobicContact CB-CD1 3.74Å; E530-L564 VanDerWaalsContact O-CD1 3.24Å; E530-L564 WeakPolarHBondContact O-CD1 3.24Å
531	N	85.8	Confident	88.7	Confident	87 Å²	87	51.8 Å²	51.8	47%	0.465	27%	0.274	S	S	.	.	H	α-helix	trans	-84.3	-46.5	179.8	-69.5	-13.2	0	0	0	110	K528 A529	K528-N531 PolarHBondContact O-N 2.97Å; A529-N531 VanDerWaalsContact C-N 3.29Å; A529-N531 PolarHBondContact O-N 3.06Å
532	M	87.1	Confident	87.7	Confident	32 Å²	32	56.8 Å²	56.8	16%	0.158	30%	0.296	C	S	.	.	H	α-helix	trans	-67.9	-43.9	-178.1	-62.3	-45.8	-52.6	0	0	111.5	I500 F525 K528 A529 R534 N535 T536	I500-M532 HydrophobicContact CD1-CB 3.83Å; I500-M532 HydrophobicContact CG1-CB 4.12Å; I500-M532 HydrophobicContact CG2-CB 3.59Å; I500-M532 HydrophobicContact CG2-CG 3.98Å; F525-M532 HydrophobicContact CB-CE 3.45Å; F525-M532 VanDerWaalsContact CB-CE 3.45Å; F525-M532 HydrophobicContact CB-CG 4.48Å; F525-M532 HydrophobicContact CD1-CE 3.86Å; F525-M532 HydrophobicContact CG-CE 3.75Å; K528-M532 PolarHBondContact O-N 2.61Å; K528-M532 VanDerWaalsContact O-N 3.15Å; A529-M532 PolarHBondContact O-N 3.21Å; M532-R534 VanDerWaalsContact C-N 3.27Å; M532-R534 PolarHBondContact O-N 3.13Å; M532-N535 PolarHBondContact O-N 3.46Å; M532-T536 WeakPolarHBondContact O-CB 3.13Å; M532-T536 PolarHBondContact O-N 2.69Å; M532-T536 PolarHBondContact O-OG1 2.79Å
533	L	86	Confident	86.8	Confident	0 Å²	0	63.9 Å²	63.9	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-58.3	-37.6	-179.6	-77.5	171.1	0	0	0	113	L477 V479 I500 A529 T536 I537 V561 L564 L565	L477-L533 HydrophobicContact CD1-CD2 4.31Å; L477-L533 HydrophobicContact CD2-CD2 3.67Å; L477-L533 HydrophobicContact CG-CD2 4.3Å; V479-L533 HydrophobicContact CG1-CD1 4.38Å; V479-L533 HydrophobicContact CG2-CD2 3.86Å; I500-L533 HydrophobicContact CD1-CD2 3.85Å; I500-L533 HydrophobicContact CD1-CG 4.13Å; A529-L533 HydrophobicContact CB-CD1 4.27Å; A529-L533 WeakPolarHBondContact O-CB 3.44Å; A529-L533 WeakPolarHBondContact O-CD1 3.46Å; A529-L533 WeakPolarHBondContact O-CG 3.27Å; A529-L533 PolarHBondContact O-N 3.32Å; L533-T536 PolarHBondContact O-N 2.75Å; L533-I537 HydrophobicContact CB-CD1 4.45Å; L533-I537 VanDerWaalsContact O-CB 3.28Å; L533-I537 WeakPolarHBondContact O-CB 3.24Å; L533-I537 VanDerWaalsContact O-CD1 3.3Å; L533-I537 WeakPolarHBondContact O-CD1 3.18Å; L533-I537 WeakPolarHBondContact O-CG1 3.37Å; L533-I537 PolarHBondContact O-N 3.4Å; L533-V561 HydrophobicContact CD1-CG1 3.61Å; L533-L564 HydrophobicContact CB-CD1 4.44Å; L533-L565 HydrophobicContact CD1-CD2 4.31Å; L533-L565 HydrophobicContact CD1-CG 4.5Å; L533-L565 HydrophobicContact CD2-CD2 4.42Å
534	R	84.9	Confident	86.2	Confident	125 Å²	125	61.4 Å²	61.4	47%	0.472	31%	0.312	S	S	.	.	H	α-helix	trans	-61.8	-53.7	178	-171.5	176.5	-62.8	119.6	4.6	110.5	M532 T536 I537 D538	M532-R534 VanDerWaalsContact C-N 3.27Å; M532-R534 PolarHBondContact O-N 3.13Å; R534-T536 VanDerWaalsContact C-N 3.3Å; R534-T536 PolarHBondContact O-N 3.25Å; R534-I537 PolarHBondContact O-N 3.1Å; R534-D538 WeakPolarHBondContact O-CB 3.35Å; R534-D538 PolarHBondContact O-N 3.36Å
535	N	84.9	Confident	85.8	Confident	101 Å²	101	62.5 Å²	62.5	54%	0.54	32%	0.319	S	S	.	.	H	α-helix	trans	-61.4	-40.2	179.2	-61.8	-9.5	0	0	0	111.9	M532 S539	M532-N535 PolarHBondContact O-N 3.46Å; N535-S539 PolarHBondContact O-N 2.79Å
536	T	85.6	Confident	85.6	Confident	7 Å²	7	59.9 Å²	59.9	4%	0.043	31%	0.308	C	S	.	.	H	α-helix	trans	-64.2	-49.7	178.3	-61.5	0	0	0	0	111.1	L477 I498 M532 L533 R534 D538 S539 L540	L477-T536 HydrophobicContact CD1-CG2 3.9Å; I498-T536 HydrophobicContact CB-CG2 4.42Å; I498-T536 HydrophobicContact CD1-CG2 3.64Å; I498-T536 HydrophobicContact CG2-CG2 3.84Å; M532-T536 WeakPolarHBondContact O-CB 3.13Å; M532-T536 PolarHBondContact O-N 2.69Å; M532-T536 PolarHBondContact O-OG1 2.79Å; L533-T536 PolarHBondContact O-N 2.75Å; R534-T536 VanDerWaalsContact C-N 3.3Å; R534-T536 PolarHBondContact O-N 3.25Å; T536-D538 VanDerWaalsContact C-N 3.3Å; T536-D538 PolarHBondContact O-N 2.91Å; T536-S539 WeakPolarHBondContact O-CB 3.45Å; T536-S539 PolarHBondContact O-N 3.41Å; T536-S539 PolarHBondContact O-OG 3.25Å; T536-L540 WeakPolarHBondContact O-CG 3.39Å; T536-L540 PolarHBondContact O-N 2.73Å
537	I	83.2	Confident	85.6	Confident	24 Å²	24	58.5 Å²	58.5	12%	0.123	30%	0.295	C	S	.	.	H	α-helix	trans	-59.3	-43	179	-71.5	162.5	0	0	0	110.7	L533 R534 S539 L540 C568	L533-I537 HydrophobicContact CB-CD1 4.45Å; L533-I537 VanDerWaalsContact O-CB 3.28Å; L533-I537 WeakPolarHBondContact O-CB 3.24Å; L533-I537 VanDerWaalsContact O-CD1 3.3Å; L533-I537 WeakPolarHBondContact O-CD1 3.18Å; L533-I537 WeakPolarHBondContact O-CG1 3.37Å; L533-I537 PolarHBondContact O-N 3.4Å; R534-I537 PolarHBondContact O-N 3.1Å; I537-S539 PolarHBondContact O-N 3.32Å; I537-L540 WeakPolarHBondContact O-CB 3.36Å; I537-L540 PolarHBondContact O-N 3.33Å; I537-L540 VanDerWaalsContact O-N 3.16Å; I537-C568 HydrophobicContact CD1-CB 3.88Å; I537-C568 HydrophobicContact CG1-CB 4.41Å; I537-C568 HydrophobicContact CG2-CB 4.37Å
538	D	83.2	Confident	85.9	Confident	121 Å²	121	57.5 Å²	57.5	65%	0.647	29%	0.285	S	S	*	.	H	α-helix	trans	-65.5	-21.7	178.7	-64.7	-20.9	0	0	0	112.6	R534 T536	R534-D538 WeakPolarHBondContact O-CB 3.35Å; R534-D538 PolarHBondContact O-N 3.36Å; T536-D538 VanDerWaalsContact C-N 3.3Å; T536-D538 PolarHBondContact O-N 2.91Å
539	S	85.8	Confident	86.3	Confident	62 Å²	62	51.7 Å²	51.7	43%	0.434	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90	-6.3	177	80.1	0	0	0	0	114.7	N535 T536 I537	N535-S539 PolarHBondContact O-N 2.79Å; T536-S539 WeakPolarHBondContact O-CB 3.45Å; T536-S539 PolarHBondContact O-N 3.41Å; T536-S539 PolarHBondContact O-OG 3.25Å; I537-S539 PolarHBondContact O-N 3.32Å
540	L	85.6	Confident	86.9	Confident	16 Å²	16	51 Å²	51	8%	0.084	25%	0.254	C	S	.	.	S	Bend	trans	-76.1	144.7	-178	-66.1	177.9	0	0	0	110.9	I475 I498 T536 I537 L546	I475-L540 HydrophobicContact CD1-CD2 3.88Å; I475-L540 HydrophobicContact CG2-CD2 3.96Å; I498-L540 HydrophobicContact CD1-CD2 4.19Å; T536-L540 WeakPolarHBondContact O-CG 3.39Å; T536-L540 PolarHBondContact O-N 2.73Å; I537-L540 WeakPolarHBondContact O-CB 3.36Å; I537-L540 PolarHBondContact O-N 3.33Å; I537-L540 VanDerWaalsContact O-N 3.16Å; L540-L546 HydrophobicContact CD1-CD1 3.95Å; L540-L546 HydrophobicContact CD1-CD2 3.66Å; L540-L546 HydrophobicContact CD1-CG 4.42Å
541	P	82.3	Confident	87.3	Confident	50 Å²	50	50.4 Å²	50.4	33%	0.325	25%	0.253	S	S	.	.			trans	-56.3	144.2	170.4	-21.3	32.5	0	0	0	111.3	I475 Y543 C544	I475-P541 HydrophobicContact CD1-CG 4.11Å; P541-Y543 PolarHBondContact O-N 2.9Å; P541-C544 HydrophobicContact CB-CB 4.37Å; P541-C544 HydrophobicContact CG-CB 4.46Å; P541-C544 PolarHBondContact O-SG 2.97Å
542	E	76.9	Confident	87.7	Confident	152 Å²	152	46.8 Å²	46.8	71%	0.71	23%	0.234	S	C	*	.	S	Bend	trans	-55.7	-36	177.6	-170.9	177.8	-177	0	0	111.9
543	Y	79.8	Confident	87.7	Confident	170 Å²	170	49.1 Å²	49.1	67%	0.667	25%	0.252	S	S	*	.	S	Bend	trans	-119	106	174.7	-58.3	-82	0	0	0	110.2	P541	P541-Y543 PolarHBondContact O-N 2.9Å
544	C	84.5	Confident	87.4	Confident	22 Å²	22	57.5 Å²	57.5	15%	0.149	28%	0.283	C	S	.	.			trans	-145.4	158.7	172.7	57.1	0	0	0	0	110.9	K473 I475 P541	K473-C544 WeakPolarHBondContact O-CA 3.24Å; K473-C544 WeakPolarHBondContact O-CB 3.48Å; I475-C544 HydrophobicContact CD1-CB 3.82Å; I475-C544 HydrophobicContact CG1-CB 4.25Å; P541-C544 HydrophobicContact CB-CB 4.37Å; P541-C544 HydrophobicContact CG-CB 4.46Å; P541-C544 PolarHBondContact O-SG 2.97Å
545	D	87.6	Confident	87.2	Confident	37 Å²	37	56 Å²	56	20%	0.198	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	98.9	166.9	173.6	28.8	0	0	0	108.2	K473 R474 I475	K473-D545 PolarHBondContact O-N 2.82Å; R474-D545 WeakPolarHBondContact CA-O 3.41Å; R474-D545 HydrophobicContact CG-CB 4.28Å; R474-D545 IonicContact NE-OD2 2.61Å; R474-D545 PolarHBondContact NE-OD2 2.84Å; I475-D545 PolarHBondContact N-O 2.85Å
546	L	91.6	Very high	87.3	Confident	12 Å²	12	51.9 Å²	51.9	6%	0.063	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	111.9	-173.3	-179.9	65.2	0	0	0	111.2	I475 L477 L540 V548 Q570 I571	I475-L546 HydrophobicContact CB-CD1 4.15Å; I475-L546 HydrophobicContact CG2-CD1 4.04Å; I475-L546 WeakPolarHBondContact O-CA 3.45Å; L477-L546 HydrophobicContact CB-CD1 4.19Å; L540-L546 HydrophobicContact CD1-CD1 3.95Å; L540-L546 HydrophobicContact CD1-CD2 3.66Å; L540-L546 HydrophobicContact CD1-CG 4.42Å; L546-V548 HydrophobicContact CD1-CG2 4.47Å; L546-V548 HydrophobicContact CD2-CG2 4.28Å; L546-V548 HydrophobicContact CG-CG2 4.03Å; L546-Q570 HydrophobicContact CD2-CB 4.12Å; L546-I571 HydrophobicContact CD2-CG1 3.56Å; L546-I571 HydrophobicContact CG-CG1 4.47Å
547	S	93.6	Very high	87.5	Confident	8 Å²	8	52.3 Å²	52.3	6%	0.056	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	135.9	167.4	-68.2	0	0	0	0	110.2	I475 L477	I475-S547 PolarHBondContact O-N 3.11Å; L477-S547 PolarHBondContact N-O 2.63Å
548	V	96.1	Very high	87.8	Confident	1 Å²	1	56.4 Å²	56.4	1%	0.006	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	124.4	177.4	-175.7	0	0	0	0	110.2	L477 V479 L546 V550 L565 I571 I574 I575	L477-V548 HydrophobicContact CB-CG2 4.21Å; L477-V548 HydrophobicContact CD2-CG1 4.41Å; L477-V548 HydrophobicContact CD2-CG2 4.24Å; L477-V548 HydrophobicContact CG-CG1 4.49Å; L477-V548 CarbonylContact O-C 3.56Å; L477-V548 WeakPolarHBondContact O-CA 3.29Å; V479-V548 HydrophobicContact CG2-CG1 4.27Å; L546-V548 HydrophobicContact CD1-CG2 4.47Å; L546-V548 HydrophobicContact CD2-CG2 4.28Å; L546-V548 HydrophobicContact CG-CG2 4.03Å; V548-V550 HydrophobicContact CG1-CG2 4.32Å; V548-L565 HydrophobicContact CG1-CD2 4.12Å; V548-I571 HydrophobicContact CB-CG2 4.41Å; V548-I571 HydrophobicContact CG2-CB 4.44Å; V548-I571 HydrophobicContact CG2-CD1 3.78Å; V548-I571 HydrophobicContact CG2-CG1 3.73Å; V548-I571 HydrophobicContact CG2-CG2 3.9Å; V548-I574 HydrophobicContact CB-CG1 4.4Å; V548-I574 WeakPolarHBondContact O-CA 3.4Å; V548-I575 PolarHBondContact O-N 2.88Å
549	I	97.8	Very high	88.1	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	140.9	172.2	-61.1	168.5	0	0	0	108.4	I450 L476 L477 V479 I486 L490 I575 I577	I450-I549 HydrophobicContact CG2-CD1 3.38Å; I450-I549 HydrophobicContact CG2-CG1 3.98Å; L476-I549 HydrophobicContact CD1-CD1 3.6Å; L476-I549 HydrophobicContact CD1-CG1 3.86Å; L476-I549 HydrophobicContact CD2-CD1 4.13Å; L476-I549 HydrophobicContact CG-CD1 4.4Å; L477-I549 PolarHBondContact O-N 2.88Å; V479-I549 PolarHBondContact N-O 3.4Å; I486-I549 HydrophobicContact CG2-CD1 3.56Å; I486-I549 HydrophobicContact CG2-CG2 4.42Å; L490-I549 HydrophobicContact CD2-CD1 3.91Å; I549-I575 CarbonylContact C-O 3.46Å; I549-I575 WeakPolarHBondContact CA-O 3.44Å; I549-I575 HydrophobicContact CG1-CB 4.3Å; I549-I575 HydrophobicContact CG1-CD1 4.44Å; I549-I577 HydrophobicContact CG2-CD1 3.63Å; I549-I577 HydrophobicContact CG2-CG1 4.41Å
550	V	96.9	Very high	88.2	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	116.2	173.1	-175.8	0	0	0	0	108.2	V479 V548 P552 L557 L565 I574 I575 Y576 I577	V479-V550 HydrophobicContact CB-CG2 4.34Å; V548-V550 HydrophobicContact CG1-CG2 4.32Å; V550-P552 HydrophobicContact CG1-CB 4.33Å; V550-P552 HydrophobicContact CG1-CG 4.02Å; V550-P552 WeakPolarHBondContact O-CD 3.37Å; V550-L557 HydrophobicContact CG1-CD1 3.43Å; V550-L557 VanDerWaalsContact CG1-CD1 3.43Å; V550-L557 HydrophobicContact CG1-CD2 3.79Å; V550-L557 HydrophobicContact CG1-CG 3.68Å; V550-L557 HydrophobicContact CG2-CD1 4.38Å; V550-L565 HydrophobicContact CG2-CD1 4.18Å; V550-I574 HydrophobicContact CG2-CG2 3.75Å; V550-I575 PolarHBondContact N-O 3.31Å; V550-Y576 HydrophobicContact CB-CD2 4.12Å; V550-Y576 HydrophobicContact CG1-CD2 4.09Å; V550-Y576 HydrophobicContact CG1-CE2 4.09Å; V550-I577 PolarHBondContact O-N 2.79Å
551	D	95.2	Very high	88.5	Confident	32 Å²	32	52.1 Å²	52.1	17%	0.171	27%	0.271	C	S	.	.			trans	-118.9	75.3	172	-171.8	13.2	0	0	0	110.2	V479 C480 I486 I577	V479-D551 PolarHBondContact O-N 2.86Å; V479-D551 VanDerWaalsContact O-N 3.14Å; C480-D551 WeakPolarHBondContact CB-O 3.49Å; I486-D551 HydrophobicContact CD1-CB 4.27Å; D551-I577 HydrophobicContact CB-CB 4.24Å; D551-I577 HydrophobicContact CB-CD1 4.19Å
552	P	92.9	Very high	89.1	Confident	10 Å²	10	49.8 Å²	49.8	7%	0.065	26%	0.256	C	S	.	.			trans	-78.8	159.2	-171	30.4	-23	0	0	0	111.6	V550 L557 Y576 I577	V550-P552 HydrophobicContact CG1-CB 4.33Å; V550-P552 HydrophobicContact CG1-CG 4.02Å; V550-P552 WeakPolarHBondContact O-CD 3.37Å; P552-L557 HydrophobicContact CB-CD2 3.9Å; P552-L557 HydrophobicContact CB-CG 4.03Å; P552-L557 HydrophobicContact CG-CG 4.35Å; P552-Y576 HydrophobicContact CG-CE1 3.87Å; P552-Y576 HydrophobicContact CG-CE2 3.99Å; P552-Y576 VanDerWaalsContact CG-CZ 3.41Å; P552-Y576 WeakPolarHBondContact CG-OH 3.46Å; P552-I577 VanDerWaalsContact CD-O 3.24Å; P552-I577 WeakPolarHBondContact CD-O 3.25Å
553	P	86.9	Confident	89.8	Confident	82 Å²	82	45 Å²	45	53%	0.532	23%	0.233	S	C	.	.			trans	-61	167.1	170.9	29.3	-36.6	0	0	0	110.8	A555 G556	P553-A555 PolarHBondContact O-N 3.24Å; P553-G556 PolarHBondContact O-N 2.88Å
554	R	79.9	Confident	90.4	Very high	175 Å²	175	38.1 Å²	38.1	66%	0.66	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.1	-22.6	179.4	-70.2	-176.7	176.9	-174.2	-2.2	116	G556 Y583	R554-G556 PolarHBondContact O-N 2.82Å; R554-Y583 WeakPolarHBondContact O-CB 3.35Å
555	A	80.4	Confident	90.8	Very high	94 Å²	94	37 Å²	37	78%	0.777	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-8.5	176.3	0	0	0	0	0	114	P553	P553-A555 PolarHBondContact O-N 3.24Å
556	G	87.1	Confident	91.1	Very high	14 Å²	14	35.3 Å²	35.3	14%	0.144	19%	0.192	C	C	.	.			trans	75	179.8	-172.6	0	0	0	0	0	113.5	P553 R554	P553-G556 PolarHBondContact O-N 2.88Å; R554-G556 PolarHBondContact O-N 2.82Å
557	L	90.7	Very high	91	Very high	16 Å²	16	38.1 Å²	38.1	8%	0.084	21%	0.206	C	C	.	.			trans	-71	143.2	171.2	-69.1	-178.2	0	0	0	111.8	V550 P552 V561 I562 L565 Y576 N587 F591	V550-L557 HydrophobicContact CG1-CD1 3.43Å; V550-L557 VanDerWaalsContact CG1-CD1 3.43Å; V550-L557 HydrophobicContact CG1-CD2 3.79Å; V550-L557 HydrophobicContact CG1-CG 3.68Å; V550-L557 HydrophobicContact CG2-CD1 4.38Å; P552-L557 HydrophobicContact CB-CD2 3.9Å; P552-L557 HydrophobicContact CB-CG 4.03Å; P552-L557 HydrophobicContact CG-CG 4.35Å; L557-V561 HydrophobicContact CD1-CG1 3.97Å; L557-V561 HydrophobicContact CD2-CB 4.47Å; L557-V561 HydrophobicContact CD2-CG1 3.96Å; L557-V561 HydrophobicContact CG-CG1 4.43Å; L557-I562 HydrophobicContact CB-CD1 4.33Å; L557-I562 HydrophobicContact CB-CG1 3.99Å; L557-I562 HydrophobicContact CD1-CG1 4.18Å; L557-L565 HydrophobicContact CD1-CD1 4.16Å; L557-Y576 HydrophobicContact CD1-CE2 4.29Å; L557-Y576 HydrophobicContact CG-CE2 4.43Å; L557-N587 WeakPolarHBondContact CA-OD1 3.36Å; L557-N587 VanDerWaalsContact CB-OD1 3.31Å; L557-N587 WeakPolarHBondContact CB-OD1 3.3Å; L557-N587 PolarHBondContact N-OD1 2.99Å; L557-N587 PolarHBondContact O-ND2 3.46Å; L557-F591 HydrophobicContact CD1-CE2 4.28Å; L557-F591 HydrophobicContact CD1-CZ 4.09Å
558	H	89.4	Confident	90.8	Very high	110 Å²	110	38 Å²	38	51%	0.509	21%	0.205	S	C	.	.			trans	-69.4	143.9	168	-171.8	-105.9	0	0	0	110.9	S560 V561 I562	H558-S560 PolarHBondContact ND1-N 3.47Å; H558-S560 PolarHBondContact ND1-OG 3Å; H558-S560 PolarHBondContact O-N 2.77Å; H558-V561 WeakPolarHBondContact O-CB 3.31Å; H558-V561 PolarHBondContact O-N 2.98Å; H558-I562 PolarHBondContact O-N 3.38Å
559	H	88.4	Confident	90.3	Very high	80 Å²	80	45.4 Å²	45.4	37%	0.37	24%	0.238	S	C	.	.	H	α-helix	trans	-55.6	-30.1	-175.5	75	-47.2	0	0	0	114.8	V561 I562 Q563	H559-V561 VanDerWaalsContact C-N 3.3Å; H559-V561 PolarHBondContact O-N 3.21Å; H559-I562 PolarHBondContact O-N 2.99Å; H559-Q563 WeakPolarHBondContact O-CB 3.49Å; H559-Q563 PolarHBondContact O-N 3.33Å
560	S	88.8	Confident	89.7	Confident	26 Å²	26	48.5 Å²	48.5	18%	0.182	25%	0.252	C	S	.	.	H	α-helix	trans	-65.7	-34.2	176.6	58.5	0	0	0	0	112.3	H558 Q563 L564	H558-S560 PolarHBondContact ND1-N 3.47Å; H558-S560 PolarHBondContact ND1-OG 3Å; H558-S560 PolarHBondContact O-N 2.77Å; S560-Q563 PolarHBondContact O-N 2.92Å; S560-L564 VanDerWaalsContact O-CG 3.29Å; S560-L564 WeakPolarHBondContact O-CG 3.4Å; S560-L564 PolarHBondContact O-N 3.27Å
561	V	92.4	Very high	89.4	Confident	4 Å²	4	48.5 Å²	48.5	2%	0.024	25%	0.252	C	S	.	.	H	α-helix	trans	-68.6	-47.5	176.2	179.7	0	0	0	0	109.7	A529 E530 L533 L557 H558 H559 Q563 L564 L565	A529-V561 HydrophobicContact CB-CG1 4.23Å; A529-V561 HydrophobicContact CB-CG2 3.72Å; E530-V561 HydrophobicContact CB-CG2 4.44Å; L533-V561 HydrophobicContact CD1-CG1 3.61Å; L557-V561 HydrophobicContact CD1-CG1 3.97Å; L557-V561 HydrophobicContact CD2-CB 4.47Å; L557-V561 HydrophobicContact CD2-CG1 3.96Å; L557-V561 HydrophobicContact CG-CG1 4.43Å; H558-V561 WeakPolarHBondContact O-CB 3.31Å; H558-V561 PolarHBondContact O-N 2.98Å; H559-V561 VanDerWaalsContact C-N 3.3Å; H559-V561 PolarHBondContact O-N 3.21Å; V561-Q563 VanDerWaalsContact C-N 3.27Å; V561-Q563 PolarHBondContact O-N 3.32Å; V561-L564 PolarHBondContact O-N 3.33Å; V561-L564 VanDerWaalsContact O-N 3.14Å; V561-L565 HydrophobicContact CG1-CD1 4.17Å; V561-L565 WeakPolarHBondContact O-CG 3.43Å; V561-L565 PolarHBondContact O-N 3.46Å
562	I	93.9	Very high	89.1	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-56.2	-44.1	175.2	-61.3	178.9	0	0	0	110.7	L557 H558 H559 L564 L565 R566 N587 N590 F591	L557-I562 HydrophobicContact CB-CD1 4.33Å; L557-I562 HydrophobicContact CB-CG1 3.99Å; L557-I562 HydrophobicContact CD1-CG1 4.18Å; H558-I562 PolarHBondContact O-N 3.38Å; H559-I562 PolarHBondContact O-N 2.99Å; I562-L564 PolarHBondContact O-N 2.99Å; I562-L565 PolarHBondContact O-N 2.98Å; I562-R566 HydrophobicContact CG2-CG 4.38Å; I562-R566 WeakPolarHBondContact O-CB 3.35Å; I562-R566 VanDerWaalsContact O-CG 3.24Å; I562-R566 WeakPolarHBondContact O-CG 3.32Å; I562-R566 PolarHBondContact O-N 2.86Å; I562-N587 HydrophobicContact CD1-CB 4.12Å; I562-N590 HydrophobicContact CD1-CB 3.8Å; I562-N590 HydrophobicContact CG2-CB 4.2Å; I562-F591 HydrophobicContact CB-CE1 4.4Å; I562-F591 HydrophobicContact CB-CZ 4.32Å; I562-F591 HydrophobicContact CD1-CD2 4.41Å; I562-F591 HydrophobicContact CD1-CE2 4.22Å; I562-F591 HydrophobicContact CG1-CD2 4.43Å; I562-F591 HydrophobicContact CG1-CE2 3.91Å; I562-F591 HydrophobicContact CG1-CZ 3.95Å; I562-F591 HydrophobicContact CG2-CD1 3.75Å; I562-F591 HydrophobicContact CG2-CD2 4.2Å; I562-F591 HydrophobicContact CG2-CE1 3.85Å; I562-F591 HydrophobicContact CG2-CE2 4.29Å; I562-F591 HydrophobicContact CG2-CG 3.93Å; I562-F591 HydrophobicContact CG2-CZ 4.13Å
563	Q	91.8	Very high	89.1	Confident	52 Å²	52	52.7 Å²	52.7	24%	0.243	27%	0.268	C	S	.	.	H	α-helix	trans	-63.6	-40.9	178.5	-171.8	-179.7	-14	0	0	112.5	H559 S560 V561 R566 N567 T600	H559-Q563 WeakPolarHBondContact O-CB 3.49Å; H559-Q563 PolarHBondContact O-N 3.33Å; S560-Q563 PolarHBondContact O-N 2.92Å; V561-Q563 VanDerWaalsContact C-N 3.27Å; V561-Q563 PolarHBondContact O-N 3.32Å; Q563-R566 PolarHBondContact O-N 3.22Å; Q563-N567 WeakPolarHBondContact O-CB 3.5Å; Q563-N567 PolarHBondContact O-N 2.98Å; Q563-N567 PolarHBondContact O-ND2 2.79Å; Q563-N567 VanDerWaalsContact O-ND2 3.1Å; Q563-T600 WeakPolarHBondContact CG-OG1 3.04Å; Q563-T600 PolarHBondContact NE2-OG1 3.32Å
564	L	91.8	Very high	89.5	Confident	25 Å²	25	48.8 Å²	48.8	13%	0.131	24%	0.243	C	C	.	.	H	α-helix	trans	-62.7	-46	175.9	-72.7	165.4	0	0	0	111.6	E530 L533 S560 V561 I562 R566 N567 C568	E530-L564 VanDerWaalsContact CA-CD1 3.45Å; E530-L564 HydrophobicContact CB-CD1 3.74Å; E530-L564 VanDerWaalsContact O-CD1 3.24Å; E530-L564 WeakPolarHBondContact O-CD1 3.24Å; L533-L564 HydrophobicContact CB-CD1 4.44Å; S560-L564 VanDerWaalsContact O-CG 3.29Å; S560-L564 WeakPolarHBondContact O-CG 3.4Å; S560-L564 PolarHBondContact O-N 3.27Å; V561-L564 PolarHBondContact O-N 3.33Å; V561-L564 VanDerWaalsContact O-N 3.14Å; I562-L564 PolarHBondContact O-N 2.99Å; L564-R566 VanDerWaalsContact C-N 3.34Å; L564-R566 PolarHBondContact O-N 3.44Å; L564-N567 PolarHBondContact O-N 2.97Å; L564-N567 VanDerWaalsContact O-N 3.17Å; L564-C568 PolarHBondContact O-N 3.46Å; L564-C568 VanDerWaalsContact O-N 3.16Å
565	L	93.9	Very high	90.4	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-61.5	-42.3	176.5	-65.4	172.8	0	0	0	111.5	L533 V548 V550 L557 V561 I562 N567 C568 I571 I574 F591	L533-L565 HydrophobicContact CD1-CD2 4.31Å; L533-L565 HydrophobicContact CD1-CG 4.5Å; L533-L565 HydrophobicContact CD2-CD2 4.42Å; V548-L565 HydrophobicContact CG1-CD2 4.12Å; V550-L565 HydrophobicContact CG2-CD1 4.18Å; L557-L565 HydrophobicContact CD1-CD1 4.16Å; V561-L565 HydrophobicContact CG1-CD1 4.17Å; V561-L565 WeakPolarHBondContact O-CG 3.43Å; V561-L565 PolarHBondContact O-N 3.46Å; I562-L565 PolarHBondContact O-N 2.98Å; L565-N567 VanDerWaalsContact C-N 3.31Å; L565-N567 PolarHBondContact O-N 2.78Å; L565-C568 PolarHBondContact O-N 2.89Å; L565-I571 HydrophobicContact CB-CD1 4.43Å; L565-I571 HydrophobicContact CD2-CD1 3.69Å; L565-I574 HydrophobicContact CB-CD1 4.07Å; L565-I574 HydrophobicContact CD1-CD1 4.41Å; L565-F591 HydrophobicContact CB-CE1 4.1Å; L565-F591 HydrophobicContact CD1-CE1 4.07Å; L565-F591 HydrophobicContact CD1-CZ 3.83Å
566	R	93.2	Very high	91.2	Very high	1 Å²	1	36.3 Å²	36.3	0%	0.004	18%	0.176	C	C	.	.	H	α-helix	trans	-60.9	-36.6	174.3	-74	170.9	58.9	115.5	16.5	113.4	I562 Q563 L564 N590 F591 R593 F599 T600 G601 I602 F604 R629	I562-R566 HydrophobicContact CG2-CG 4.38Å; I562-R566 WeakPolarHBondContact O-CB 3.35Å; I562-R566 VanDerWaalsContact O-CG 3.24Å; I562-R566 WeakPolarHBondContact O-CG 3.32Å; I562-R566 PolarHBondContact O-N 2.86Å; Q563-R566 PolarHBondContact O-N 3.22Å; L564-R566 VanDerWaalsContact C-N 3.34Å; L564-R566 PolarHBondContact O-N 3.44Å; R566-N590 PolarHBondContact NH1-O 2.9Å; R566-F591 HydrophobicContact CG-CD1 4.35Å; R566-F591 PolarHBondContact NH1-O 3.42Å; R566-R593 VanDerWaalsContact CZ-O 3.23Å; R566-R593 PolarHBondContact NH1-O 2.98Å; R566-R593 PolarHBondContact NH2-O 3.3Å; R566-F599 PolarHBondContact NH2-O 3.14Å; R566-T600 WeakPolarHBondContact CB-O 3.48Å; R566-T600 PolarHBondContact NE-O 3.44Å; R566-G601 PolarHBondContact NH2-O 2.94Å; R566-I602 PolarHBondContact O-N 3.44Å; R566-F604 HydrophobicContact CG-CD2 4.27Å; R566-F604 HydrophobicContact CG-CE2 4.48Å; R566-R629 PolarHBondContact O-NH1 2.95Å; R566-R629 PolarHBondContact O-NH2 3.07Å
567	N	91.1	Very high	91.7	Very high	70 Å²	70	35.6 Å²	35.6	37%	0.374	17%	0.169	S	C	.	.	H	α-helix	trans	-77.2	-23.6	-178.6	-73.2	-31.3	0	0	0	113.6	Q563 L564 L565 K569 T600 G601	Q563-N567 WeakPolarHBondContact O-CB 3.5Å; Q563-N567 PolarHBondContact O-N 2.98Å; Q563-N567 PolarHBondContact O-ND2 2.79Å; Q563-N567 VanDerWaalsContact O-ND2 3.1Å; L564-N567 PolarHBondContact O-N 2.97Å; L564-N567 VanDerWaalsContact O-N 3.17Å; L565-N567 VanDerWaalsContact C-N 3.31Å; L565-N567 PolarHBondContact O-N 2.78Å; N567-K569 PolarHBondContact O-N 3.13Å; N567-T600 VanDerWaalsContact CG-OG1 3.24Å; N567-T600 PolarHBondContact ND2-OG1 3.19Å; N567-T600 VanDerWaalsContact OD1-C 3.25Å; N567-T600 WeakPolarHBondContact OD1-CB 3.47Å; N567-T600 PolarHBondContact OD1-OG1 2.92Å; N567-G601 VanDerWaalsContact OD1-CA 3.3Å; N567-G601 WeakPolarHBondContact OD1-CA 3.19Å; N567-G601 PolarHBondContact OD1-N 3.28Å
568	C	89.4	Confident	91.9	Very high	5 Å²	5	35.4 Å²	35.4	3%	0.034	17%	0.169	C	C	.	.			trans	-75.9	103.3	-179.4	-172	0	0	0	0	111	I537 L564 L565 Q570 I571 R629	I537-C568 HydrophobicContact CD1-CB 3.88Å; I537-C568 HydrophobicContact CG1-CB 4.41Å; I537-C568 HydrophobicContact CG2-CB 4.37Å; L564-C568 PolarHBondContact O-N 3.46Å; L564-C568 VanDerWaalsContact O-N 3.16Å; L565-C568 PolarHBondContact O-N 2.89Å; C568-Q570 PolarHBondContact O-N 2.82Å; C568-I571 HydrophobicContact CB-CD1 3.62Å; C568-I571 HydrophobicContact CB-CG1 3.87Å; C568-I571 PolarHBondContact O-N 2.71Å; C568-I571 VanDerWaalsContact O-N 3.16Å; C568-R629 PolarHBondContact O-NH2 2.98Å
569	K	85	Confident	91.9	Very high	157 Å²	157	31.6 Å²	31.6	68%	0.683	15%	0.154	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-25.7	-174.3	-65.8	-178	-179.2	178.5	0	113.2	N567 I571 Q572	N567-K569 PolarHBondContact O-N 3.13Å; K569-I571 VanDerWaalsContact C-N 3.26Å; K569-I571 PolarHBondContact O-N 2.82Å; K569-Q572 PolarHBondContact O-NE2 3.39Å
570	Q	85.3	Confident	91.9	Very high	65 Å²	65	29 Å²	29	30%	0.304	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-29.1	177.4	-63.1	90.8	-46.5	0	0	111.8	L546 C568 Q572	L546-Q570 HydrophobicContact CD2-CB 4.12Å; C568-Q570 PolarHBondContact O-N 2.82Å; Q570-Q572 PolarHBondContact O-N 2.77Å; Q570-Q572 VanDerWaalsContact O-N 3.17Å
571	I	90.2	Very high	92	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.136	C	C	.	.			trans	-74.7	109	176.4	-54.8	174.1	0	0	0	108.7	L546 V548 L565 C568 K569 R573 I574 F604 R629	L546-I571 HydrophobicContact CD2-CG1 3.56Å; L546-I571 HydrophobicContact CG-CG1 4.47Å; V548-I571 HydrophobicContact CB-CG2 4.41Å; V548-I571 HydrophobicContact CG2-CB 4.44Å; V548-I571 HydrophobicContact CG2-CD1 3.78Å; V548-I571 HydrophobicContact CG2-CG1 3.73Å; V548-I571 HydrophobicContact CG2-CG2 3.9Å; L565-I571 HydrophobicContact CB-CD1 4.43Å; L565-I571 HydrophobicContact CD2-CD1 3.69Å; C568-I571 HydrophobicContact CB-CD1 3.62Å; C568-I571 HydrophobicContact CB-CG1 3.87Å; C568-I571 PolarHBondContact O-N 2.71Å; C568-I571 VanDerWaalsContact O-N 3.16Å; K569-I571 VanDerWaalsContact C-N 3.26Å; K569-I571 PolarHBondContact O-N 2.82Å; I571-R573 WeakPolarHBondContact CG2-O 3.33Å; I571-I574 HydrophobicContact CG2-CD1 4.09Å; I571-I574 HydrophobicContact CG2-CG1 3.54Å; I571-F604 HydrophobicContact CB-CZ 4.06Å; I571-F604 HydrophobicContact CG2-CE1 3.97Å; I571-F604 HydrophobicContact CG2-CZ 3.58Å; I571-F604 WeakPolarHBondContact O-CZ 3.37Å; I571-R629 PolarHBondContact O-NE 2.79Å; I571-R629 PolarHBondContact O-NH2 3.09Å
572	Q	89	Confident	91.9	Very high	95 Å²	95	32.7 Å²	32.7	44%	0.444	16%	0.158	S	C	.	.			trans	-96	-29.3	173.3	-63.1	-56.6	-43.7	0	0	112.3	K569 Q570 R629	K569-Q572 PolarHBondContact O-NE2 3.39Å; Q570-Q572 PolarHBondContact O-N 2.77Å; Q570-Q572 VanDerWaalsContact O-N 3.17Å; Q572-R629 PolarHBondContact O-N 3.16Å
573	R	92.2	Very high	91.7	Very high	35 Å²	35	40.1 Å²	40.1	13%	0.132	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	144.7	-177	-56.5	-174.8	-72.2	140.7	-7.2	110.5	L453 L456 I571 L626 L627 E628	L453-R573 PolarHBondContact O-NH1 2.83Å; L456-R573 PolarHBondContact O-NH2 2.85Å; I571-R573 WeakPolarHBondContact CG2-O 3.33Å; R573-L626 HydrophobicContact CB-CD1 4.14Å; R573-L627 CarbonylContact C-O 3.58Å; R573-L627 VanDerWaalsContact CA-O 3.3Å; R573-L627 WeakPolarHBondContact CA-O 3.49Å; R573-E628 WeakPolarHBondContact CD-OE1 3.26Å; R573-E628 HydrophobicContact CG-CB 4.49Å; R573-E628 HydrophobicContact CG-CG 3.93Å
574	I	96.3	Very high	91.7	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	127.2	174.9	-59.8	172.3	0	0	0	107.6	V548 V550 L565 I571 F591 F604 L627	V548-I574 HydrophobicContact CB-CG1 4.4Å; V548-I574 WeakPolarHBondContact O-CA 3.4Å; V550-I574 HydrophobicContact CG2-CG2 3.75Å; L565-I574 HydrophobicContact CB-CD1 4.07Å; L565-I574 HydrophobicContact CD1-CD1 4.41Å; I571-I574 HydrophobicContact CG2-CD1 4.09Å; I571-I574 HydrophobicContact CG2-CG1 3.54Å; I574-F591 HydrophobicContact CD1-CD1 4.2Å; I574-F591 HydrophobicContact CD1-CE1 3.58Å; I574-F591 HydrophobicContact CD1-CZ 4.22Å; I574-F604 HydrophobicContact CD1-CD1 4.27Å; I574-F604 HydrophobicContact CD1-CD2 3.88Å; I574-F604 HydrophobicContact CD1-CE1 4.04Å; I574-F604 HydrophobicContact CD1-CE2 3.58Å; I574-F604 HydrophobicContact CD1-CG 4.2Å; I574-F604 HydrophobicContact CD1-CZ 3.67Å; I574-F604 HydrophobicContact CG1-CD1 4.39Å; I574-F604 HydrophobicContact CG1-CE1 4.03Å; I574-F604 HydrophobicContact CG1-CE2 4.44Å; I574-F604 HydrophobicContact CG1-CZ 4.04Å; I574-L627 HydrophobicContact CB-CB 4.25Å; I574-L627 PolarHBondContact N-O 3.37Å; I574-L627 PolarHBondContact O-N 2.87Å
575	I	97.9	Very high	91.8	Very high	5 Å²	5	36.9 Å²	36.9	3%	0.026	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	108.9	171.5	-60.7	166.6	0	0	0	107	I450 L453 C454 V548 I549 V550 I624 L626	I450-I575 HydrophobicContact CG1-CG2 4.31Å; I450-I575 HydrophobicContact CG2-CD1 4.23Å; I450-I575 HydrophobicContact CG2-CG2 4.38Å; L453-I575 HydrophobicContact CB-CD1 3.65Å; L453-I575 HydrophobicContact CB-CG1 4.11Å; L453-I575 HydrophobicContact CD1-CG2 4.31Å; C454-I575 HydrophobicContact CB-CD1 4.44Å; C454-I575 WeakPolarHBondContact SG-CD1 3.36Å; V548-I575 PolarHBondContact O-N 2.88Å; I549-I575 CarbonylContact C-O 3.46Å; I549-I575 WeakPolarHBondContact CA-O 3.44Å; I549-I575 HydrophobicContact CG1-CB 4.3Å; I549-I575 HydrophobicContact CG1-CD1 4.44Å; V550-I575 PolarHBondContact N-O 3.31Å; I575-I624 HydrophobicContact CG2-CG2 3.49Å; I575-I624 VanDerWaalsContact CG2-CG2 3.49Å; I575-L626 HydrophobicContact CG1-CD1 4.22Å
576	Y	97.9	Very high	91.8	Very high	2 Å²	2	41 Å²	41	1%	0.008	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	122.6	-179.7	-167.9	-71.4	0	0	0	109.7	V550 P552 L557 A584 N587 F588 F591 I624 L625 L627	V550-Y576 HydrophobicContact CB-CD2 4.12Å; V550-Y576 HydrophobicContact CG1-CD2 4.09Å; V550-Y576 HydrophobicContact CG1-CE2 4.09Å; P552-Y576 HydrophobicContact CG-CE1 3.87Å; P552-Y576 HydrophobicContact CG-CE2 3.99Å; P552-Y576 VanDerWaalsContact CG-CZ 3.41Å; P552-Y576 WeakPolarHBondContact CG-OH 3.46Å; L557-Y576 HydrophobicContact CD1-CE2 4.29Å; L557-Y576 HydrophobicContact CG-CE2 4.43Å; Y576-A584 HydrophobicContact CE1-CB 3.9Å; Y576-N587 HydrophobicContact CE2-CB 4.09Å; Y576-N587 PolarHBondContact OH-OD1 3.03Å; Y576-F588 AromaticContact CD1-CE1 3.48Å; Y576-F588 HydrophobicContact CD1-CE1 3.48Å; Y576-F588 VanDerWaalsContact CD1-CE1 3.48Å; Y576-F588 AromaticContact CD1-CZ 3.57Å; Y576-F588 HydrophobicContact CD1-CZ 3.57Å; Y576-F588 HydrophobicContact CD2-CE1 4.06Å; Y576-F588 AromaticContact CE1-CE1 3.88Å; Y576-F588 HydrophobicContact CE1-CE1 3.88Å; Y576-F588 AromaticContact CE1-CZ 3.74Å; Y576-F588 HydrophobicContact CE1-CZ 3.74Å; Y576-F588 HydrophobicContact CE2-CE1 4.39Å; Y576-F588 AromaticContact CG-CE1 3.58Å; Y576-F588 HydrophobicContact CG-CE1 3.58Å; Y576-F588 HydrophobicContact CG-CZ 4.16Å; Y576-F591 HydrophobicContact CD2-CE2 4.02Å; Y576-F591 HydrophobicContact CE2-CE2 4.08Å; Y576-I624 CarbonylContact O-C 3.57Å; Y576-I624 WeakPolarHBondContact O-CA 3.2Å; Y576-L625 PolarHBondContact N-O 2.68Å; Y576-L625 PolarHBondContact O-N 3.01Å; Y576-L627 HydrophobicContact CD2-CD1 4.48Å
577	I	96.9	Very high	91.9	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	140.1	179.5	-54.6	166.4	0	0	0	108.6	L446 I450 I486 I549 V550 D551 P552 V623	L446-I577 HydrophobicContact CD2-CG2 4.44Å; I450-I577 HydrophobicContact CD1-CD1 3.37Å; I450-I577 HydrophobicContact CD1-CG1 4.15Å; I450-I577 HydrophobicContact CG1-CD1 4.22Å; I486-I577 HydrophobicContact CD1-CD1 3.63Å; I549-I577 HydrophobicContact CG2-CD1 3.63Å; I549-I577 HydrophobicContact CG2-CG1 4.41Å; V550-I577 PolarHBondContact O-N 2.79Å; D551-I577 HydrophobicContact CB-CB 4.24Å; D551-I577 HydrophobicContact CB-CD1 4.19Å; P552-I577 VanDerWaalsContact CD-O 3.24Å; P552-I577 WeakPolarHBondContact CD-O 3.25Å; I577-V623 CarbonylContact C-O 3.56Å; I577-V623 WeakPolarHBondContact CA-O 3.33Å
578	S	94.8	Very high	92.1	Very high	11 Å²	11	38 Å²	38	8%	0.077	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	119.8	178.8	-167	0	0	0	0	113.4	N580 A584 V623	S578-N580 PolarHBondContact O-N 2.73Å; S578-N580 PolarHBondContact OG-N 3.22Å; S578-N580 PolarHBondContact OG-O 3.48Å; S578-N580 VanDerWaalsContact OG-O 3.05Å; S578-A584 WeakPolarHBondContact OG-CB 3.47Å; S578-V623 PolarHBondContact N-O 3.3Å; S578-V623 PolarHBondContact O-N 3.3Å
579	C	90	Very high	92.3	Very high	30 Å²	30	37.7 Å²	37.7	20%	0.203	17%	0.173	C	C	.	.	S	Bend	trans	-70.1	-12.6	170	68.6	0	0	0	0	113.9	E622	C579-E622 WeakPolarHBondContact CA-OE1 3.31Å; C579-E622 VanDerWaalsContact CA-OE2 3.24Å; C579-E622 WeakPolarHBondContact CA-OE2 3.39Å; C579-E622 WeakPolarHBondContact CB-OE1 3.07Å; C579-E622 PolarHBondContact N-OE2 3.03Å
580	N	87.5	Confident	92.8	Very high	26 Å²	26	31.3 Å²	31.3	14%	0.139	15%	0.146	C	C	.	.			trans	-152.3	96.6	177.2	-173.4	-50.7	0	0	0	110.4	S578 E582 Y583 A584	S578-N580 PolarHBondContact O-N 2.73Å; S578-N580 PolarHBondContact OG-N 3.22Å; S578-N580 PolarHBondContact OG-O 3.48Å; S578-N580 VanDerWaalsContact OG-O 3.05Å; N580-E582 VanDerWaalsContact C-N 3.26Å; N580-E582 PolarHBondContact O-N 2.9Å; N580-E582 WeakPolarHBondContact OD1-CB 3.43Å; N580-E582 PolarHBondContact OD1-N 3.11Å; N580-Y583 HydrophobicContact CB-CD2 3.96Å; N580-Y583 PolarHBondContact O-N 3.33Å; N580-Y583 WeakPolarHBondContact OD1-CD2 3.45Å; N580-Y583 PolarHBondContact OD1-N 2.98Å; N580-Y583 VanDerWaalsContact OD1-N 3.17Å; N580-A584 PolarHBondContact O-N 3.14Å
581	I	91.1	Very high	93.3	Very high	7 Å²	7	28.2 Å²	28.2	4%	0.036	13%	0.131	C	C	.	.	H	α-helix	trans	-59.5	-33.1	-179.1	-171.8	170.8	0	0	0	113.2	V204 C207 L208 Y583 A584 I585 F588 V623 L625	V204-I581 HydrophobicContact CG1-CD1 4.01Å; C207-I581 HydrophobicContact CB-CB 4.45Å; C207-I581 HydrophobicContact CB-CD1 3.78Å; C207-I581 HydrophobicContact CB-CG1 3.87Å; C207-I581 HydrophobicContact CB-CG2 3.81Å; L208-I581 HydrophobicContact CD2-CD1 4.14Å; L208-I581 HydrophobicContact CG-CD1 4.36Å; I581-Y583 VanDerWaalsContact C-N 3.32Å; I581-Y583 PolarHBondContact O-N 2.71Å; I581-A584 PolarHBondContact O-N 3Å; I581-I585 WeakPolarHBondContact O-CG1 3.4Å; I581-I585 PolarHBondContact O-N 3.49Å; I581-I585 VanDerWaalsContact O-N 3.13Å; I581-F588 HydrophobicContact CG1-CE2 4.3Å; I581-V623 HydrophobicContact CB-CG2 4.2Å; I581-V623 HydrophobicContact CD1-CG1 4.26Å; I581-L625 HydrophobicContact CD1-CD1 4.43Å
582	E	91.5	Very high	93.5	Very high	101 Å²	101	28.2 Å²	28.2	47%	0.472	13%	0.131	S	C	.	.	H	α-helix	trans	-60.2	-42.1	-179.5	-60.3	175.5	108.4	0	0	111.4	N580 A584	N580-E582 VanDerWaalsContact C-N 3.26Å; N580-E582 PolarHBondContact O-N 2.9Å; N580-E582 WeakPolarHBondContact OD1-CB 3.43Å; N580-E582 PolarHBondContact OD1-N 3.11Å; E582-A584 VanDerWaalsContact C-N 3.34Å
583	Y	88.7	Confident	93.6	Very high	156 Å²	156	26.8 Å²	26.8	61%	0.612	12%	0.122	S	C	*	.	H	α-helix	trans	-74.1	-25.1	175.8	-69.8	-66.3	0	0	0	113.1	R554 N580 I581	R554-Y583 WeakPolarHBondContact O-CB 3.35Å; N580-Y583 HydrophobicContact CB-CD2 3.96Å; N580-Y583 PolarHBondContact O-N 3.33Å; N580-Y583 WeakPolarHBondContact OD1-CD2 3.45Å; N580-Y583 PolarHBondContact OD1-N 2.98Å; N580-Y583 VanDerWaalsContact OD1-N 3.17Å; I581-Y583 VanDerWaalsContact C-N 3.32Å; I581-Y583 PolarHBondContact O-N 2.71Å
584	A	91.5	Very high	93.5	Very high	2 Å²	2	27.6 Å²	27.6	2%	0.017	13%	0.132	C	C	.	.	H	α-helix	trans	-80.9	-13.9	179.6	0	0	0	0	0	113.9	Y576 S578 N580 I581 E582 E586 N587 F588	Y576-A584 HydrophobicContact CE1-CB 3.9Å; S578-A584 WeakPolarHBondContact OG-CB 3.47Å; N580-A584 PolarHBondContact O-N 3.14Å; I581-A584 PolarHBondContact O-N 3Å; E582-A584 VanDerWaalsContact C-N 3.34Å; A584-E586 VanDerWaalsContact C-N 3.28Å; A584-E586 PolarHBondContact O-N 2.94Å; A584-E586 VanDerWaalsContact O-N 3.17Å; A584-N587 WeakPolarHBondContact O-CA 3.49Å; A584-N587 VanDerWaalsContact O-CB 3.32Å; A584-N587 WeakPolarHBondContact O-CB 3.17Å; A584-N587 PolarHBondContact O-N 3.13Å; A584-F588 HydrophobicContact CB-CD2 4.36Å; A584-F588 HydrophobicContact CB-CE2 3.47Å; A584-F588 VanDerWaalsContact CB-CE2 3.47Å; A584-F588 HydrophobicContact CB-CZ 3.63Å; A584-F588 VanDerWaalsContact O-CD2 3.29Å; A584-F588 WeakPolarHBondContact O-CD2 3.42Å; A584-F588 PolarHBondContact O-N 2.99Å
585	I	94.7	Very high	93.2	Very high	6 Å²	6	32 Å²	32	3%	0.031	16%	0.161	C	C	.	.	H	α-helix	trans	-47.6	-49.3	179.7	-66.8	179.3	0	0	0	111.7	C207 E210 I211 I581 N587 F588 L589	C207-I585 HydrophobicContact CB-CD1 4.31Å; E210-I585 HydrophobicContact CB-CD1 4.47Å; E210-I585 HydrophobicContact CG-CD1 4.2Å; I211-I585 HydrophobicContact CD1-CG1 4.2Å; I211-I585 HydrophobicContact CG1-CB 4.32Å; I211-I585 HydrophobicContact CG1-CG1 3.95Å; I211-I585 HydrophobicContact CG1-CG2 3.98Å; I581-I585 WeakPolarHBondContact O-CG1 3.4Å; I581-I585 PolarHBondContact O-N 3.49Å; I581-I585 VanDerWaalsContact O-N 3.13Å; I585-N587 PolarHBondContact O-N 3.28Å; I585-F588 PolarHBondContact O-N 3.43Å; I585-F588 VanDerWaalsContact O-N 3.13Å; I585-L589 HydrophobicContact CG2-CD1 4.23Å; I585-L589 HydrophobicContact CG2-CG 4.25Å; I585-L589 WeakPolarHBondContact O-CG 3.47Å; I585-L589 PolarHBondContact O-N 3.04Å
586	E	94.1	Very high	92.8	Very high	86 Å²	86	34.3 Å²	34.3	40%	0.402	18%	0.178	S	C	.	.	H	α-helix	trans	-59.8	-33.6	-179.5	-68.3	-56.8	142.8	0	0	113.4	R214 A584 N590	R214-E586 IonicContact CZ-OE1 3.18Å; R214-E586 IonicContact NH1-OE1 2.97Å; R214-E586 PolarHBondContact NH1-OE1 3.32Å; R214-E586 IonicContact NH2-OE1 2.86Å; R214-E586 PolarHBondContact NH2-OE1 3.3Å; R214-E586 IonicContact NH2-OE2 3.93Å; A584-E586 VanDerWaalsContact C-N 3.28Å; A584-E586 PolarHBondContact O-N 2.94Å; A584-E586 VanDerWaalsContact O-N 3.17Å; E586-N590 WeakPolarHBondContact O-CB 3.48Å; E586-N590 PolarHBondContact O-N 2.67Å; E586-N590 PolarHBondContact O-ND2 3.12Å
587	N	95.2	Very high	92.1	Very high	8 Å²	8	44.3 Å²	44.3	4%	0.043	22%	0.222	C	C	.	.	H	α-helix	trans	-67.4	-46.6	176	-82.6	-156.9	0	0	0	111	L557 I562 Y576 A584 I585 L589 N590 F591	L557-N587 WeakPolarHBondContact CA-OD1 3.36Å; L557-N587 VanDerWaalsContact CB-OD1 3.31Å; L557-N587 WeakPolarHBondContact CB-OD1 3.3Å; L557-N587 PolarHBondContact N-OD1 2.99Å; L557-N587 PolarHBondContact O-ND2 3.46Å; I562-N587 HydrophobicContact CD1-CB 4.12Å; Y576-N587 HydrophobicContact CE2-CB 4.09Å; Y576-N587 PolarHBondContact OH-OD1 3.03Å; A584-N587 WeakPolarHBondContact O-CA 3.49Å; A584-N587 VanDerWaalsContact O-CB 3.32Å; A584-N587 WeakPolarHBondContact O-CB 3.17Å; A584-N587 PolarHBondContact O-N 3.13Å; I585-N587 PolarHBondContact O-N 3.28Å; N587-L589 VanDerWaalsContact C-N 3.31Å; N587-L589 PolarHBondContact O-N 2.87Å; N587-N590 CarbonylContact O-C 3.55Å; N587-N590 PolarHBondContact O-N 3.28Å; N587-F591 VanDerWaalsContact O-CD2 3.24Å; N587-F591 WeakPolarHBondContact O-CD2 3.46Å; N587-F591 PolarHBondContact O-N 2.95Å
588	F	94.4	Very high	91.5	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-61.1	-41.1	177	-53.8	-47.6	0	0	0	111.8	I211 Y576 I581 A584 I585 N590 F591 A592 P606 L625 L627	I211-F588 HydrophobicContact CD1-CD2 3.57Å; I211-F588 HydrophobicContact CD1-CE2 4.27Å; I211-F588 HydrophobicContact CD1-CG 4.39Å; I211-F588 HydrophobicContact CG1-CD2 4.4Å; I211-F588 HydrophobicContact CG2-CB 4.42Å; Y576-F588 AromaticContact CD1-CE1 3.48Å; Y576-F588 HydrophobicContact CD1-CE1 3.48Å; Y576-F588 VanDerWaalsContact CD1-CE1 3.48Å; Y576-F588 AromaticContact CD1-CZ 3.57Å; Y576-F588 HydrophobicContact CD1-CZ 3.57Å; Y576-F588 HydrophobicContact CD2-CE1 4.06Å; Y576-F588 AromaticContact CE1-CE1 3.88Å; Y576-F588 HydrophobicContact CE1-CE1 3.88Å; Y576-F588 AromaticContact CE1-CZ 3.74Å; Y576-F588 HydrophobicContact CE1-CZ 3.74Å; Y576-F588 HydrophobicContact CE2-CE1 4.39Å; Y576-F588 AromaticContact CG-CE1 3.58Å; Y576-F588 HydrophobicContact CG-CE1 3.58Å; Y576-F588 HydrophobicContact CG-CZ 4.16Å; I581-F588 HydrophobicContact CG1-CE2 4.3Å; A584-F588 HydrophobicContact CB-CD2 4.36Å; A584-F588 HydrophobicContact CB-CE2 3.47Å; A584-F588 VanDerWaalsContact CB-CE2 3.47Å; A584-F588 HydrophobicContact CB-CZ 3.63Å; A584-F588 VanDerWaalsContact O-CD2 3.29Å; A584-F588 WeakPolarHBondContact O-CD2 3.42Å; A584-F588 PolarHBondContact O-N 2.99Å; I585-F588 PolarHBondContact O-N 3.43Å; I585-F588 VanDerWaalsContact O-N 3.13Å; F588-N590 VanDerWaalsContact C-N 3.29Å; F588-N590 PolarHBondContact O-N 3.19Å; F588-F591 PolarHBondContact O-N 2.93Å; F588-A592 PolarHBondContact O-N 3.5Å; F588-P606 HydrophobicContact CB-CG 4.46Å; F588-L625 HydrophobicContact CD2-CD2 4.46Å; F588-L625 HydrophobicContact CE1-CB 4.29Å; F588-L625 HydrophobicContact CE1-CD1 4.17Å; F588-L625 HydrophobicContact CE1-CD2 4.31Å; F588-L625 HydrophobicContact CE2-CD1 3.99Å; F588-L625 HydrophobicContact CE2-CD2 4.21Å; F588-L625 HydrophobicContact CZ-CD1 3.55Å; F588-L625 HydrophobicContact CZ-CD2 4.17Å; F588-L625 HydrophobicContact CZ-CG 4.3Å; F588-L627 HydrophobicContact CD1-CD1 4.23Å; F588-L627 HydrophobicContact CD1-CD2 3.98Å; F588-L627 HydrophobicContact CE1-CD2 4.39Å
589	L	94.7	Very high	91.2	Very high	0 Å²	0	51 Å²	51	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-57.7	-44.5	172.6	-60.7	-174.4	0	0	0	111.6	R214 L215 I218 I585 N587 A592 R593	R214-L589 HydrophobicContact CB-CD1 4.15Å; R214-L589 HydrophobicContact CB-CD2 3.88Å; R214-L589 VanDerWaalsContact CZ-CD1 3.49Å; L215-L589 HydrophobicContact CB-CD2 4.48Å; L215-L589 HydrophobicContact CD2-CB 4.43Å; L215-L589 HydrophobicContact CD2-CD2 3.51Å; L215-L589 HydrophobicContact CG-CD2 3.55Å; I218-L589 HydrophobicContact CD1-CD1 4.3Å; I218-L589 HydrophobicContact CD1-CD2 4.49Å; I585-L589 HydrophobicContact CG2-CD1 4.23Å; I585-L589 HydrophobicContact CG2-CG 4.25Å; I585-L589 WeakPolarHBondContact O-CG 3.47Å; I585-L589 PolarHBondContact O-N 3.04Å; N587-L589 VanDerWaalsContact C-N 3.31Å; N587-L589 PolarHBondContact O-N 2.87Å; L589-A592 PolarHBondContact O-N 3.24Å; L589-R593 VanDerWaalsContact O-CG 3.3Å; L589-R593 WeakPolarHBondContact O-CG 3.29Å; L589-R593 PolarHBondContact O-N 3.04Å
590	N	95.3	Very high	91.3	Very high	22 Å²	22	51.3 Å²	51.3	12%	0.118	25%	0.25	C	S	.	.	H	α-helix	trans	-70.8	-31.2	-179.2	-70.5	-23.8	0	0	0	113.4	I562 R566 E586 N587 F588 R593 F599	I562-N590 HydrophobicContact CD1-CB 3.8Å; I562-N590 HydrophobicContact CG2-CB 4.2Å; R566-N590 PolarHBondContact NH1-O 2.9Å; E586-N590 WeakPolarHBondContact O-CB 3.48Å; E586-N590 PolarHBondContact O-N 2.67Å; E586-N590 PolarHBondContact O-ND2 3.12Å; N587-N590 CarbonylContact O-C 3.55Å; N587-N590 PolarHBondContact O-N 3.28Å; F588-N590 VanDerWaalsContact C-N 3.29Å; F588-N590 PolarHBondContact O-N 3.19Å; N590-R593 PolarHBondContact OD1-NE 3.4Å; N590-R593 VanDerWaalsContact OD1-NE 3.11Å; N590-F599 HydrophobicContact CB-CD1 4.37Å; N590-F599 HydrophobicContact CB-CE1 3.64Å; N590-F599 HydrophobicContact CB-CZ 4.3Å; N590-F599 WeakPolarHBondContact OD1-CE1 3.47Å; N590-F599 WeakPolarHBondContact OD1-CZ 3.17Å
591	F	95.4	Very high	91.4	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-66.1	-41.6	171.2	-85.6	-68.7	0	0	0	111.9	L557 I562 L565 R566 I574 Y576 N587 F588 P603 F604 L627	L557-F591 HydrophobicContact CD1-CE2 4.28Å; L557-F591 HydrophobicContact CD1-CZ 4.09Å; I562-F591 HydrophobicContact CB-CE1 4.4Å; I562-F591 HydrophobicContact CB-CZ 4.32Å; I562-F591 HydrophobicContact CD1-CD2 4.41Å; I562-F591 HydrophobicContact CD1-CE2 4.22Å; I562-F591 HydrophobicContact CG1-CD2 4.43Å; I562-F591 HydrophobicContact CG1-CE2 3.91Å; I562-F591 HydrophobicContact CG1-CZ 3.95Å; I562-F591 HydrophobicContact CG2-CD1 3.75Å; I562-F591 HydrophobicContact CG2-CD2 4.2Å; I562-F591 HydrophobicContact CG2-CE1 3.85Å; I562-F591 HydrophobicContact CG2-CE2 4.29Å; I562-F591 HydrophobicContact CG2-CG 3.93Å; I562-F591 HydrophobicContact CG2-CZ 4.13Å; L565-F591 HydrophobicContact CB-CE1 4.1Å; L565-F591 HydrophobicContact CD1-CE1 4.07Å; L565-F591 HydrophobicContact CD1-CZ 3.83Å; R566-F591 HydrophobicContact CG-CD1 4.35Å; R566-F591 PolarHBondContact NH1-O 3.42Å; I574-F591 HydrophobicContact CD1-CD1 4.2Å; I574-F591 HydrophobicContact CD1-CE1 3.58Å; I574-F591 HydrophobicContact CD1-CZ 4.22Å; Y576-F591 HydrophobicContact CD2-CE2 4.02Å; Y576-F591 HydrophobicContact CE2-CE2 4.08Å; N587-F591 VanDerWaalsContact O-CD2 3.24Å; N587-F591 WeakPolarHBondContact O-CD2 3.46Å; N587-F591 PolarHBondContact O-N 2.95Å; F588-F591 PolarHBondContact O-N 2.93Å; F591-P603 CarbonylContact O-C 3.57Å; F591-P603 VanDerWaalsContact O-CA 3.23Å; F591-P603 WeakPolarHBondContact O-CA 3.29Å; F591-F604 CarbonylContact C-O 3.58Å; F591-F604 VanDerWaalsContact C-O 3.25Å; F591-F604 HydrophobicContact CB-CB 4.31Å; F591-F604 HydrophobicContact CD1-CB 4.41Å; F591-F604 AromaticContact CD1-CD2 3.97Å; F591-F604 HydrophobicContact CD1-CD2 3.97Å; F591-F604 PolarHBondContact O-N 2.92Å; F591-L627 HydrophobicContact CB-CD1 4.33Å; F591-L627 HydrophobicContact CD1-CD1 4.46Å; F591-L627 HydrophobicContact CD2-CD1 3.74Å; F591-L627 HydrophobicContact CE2-CD1 4.12Å; F591-L627 HydrophobicContact CG-CD1 3.94Å
592	A	93.6	Very high	91.3	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-89.1	-5.2	-175.1	0	0	0	0	0	115.3	L215 N219 I222 F588 L589 F604	L215-A592 HydrophobicContact CD1-CB 3.96Å; L215-A592 HydrophobicContact CD2-CB 3.46Å; L215-A592 VanDerWaalsContact CD2-CB 3.46Å; L215-A592 HydrophobicContact CG-CB 4.38Å; N219-A592 PolarHBondContact ND2-O 2.99Å; I222-A592 HydrophobicContact CD1-CB 3.62Å; F588-A592 PolarHBondContact O-N 3.5Å; L589-A592 PolarHBondContact O-N 3.24Å; A592-F604 WeakPolarHBondContact CA-O 3.36Å; A592-F604 WeakPolarHBondContact CB-O 3.37Å; A592-F604 PolarHBondContact N-O 3.12Å; A592-F604 VanDerWaalsContact N-O 3.16Å
593	R	92.8	Very high	91.4	Very high	66 Å²	66	50.5 Å²	50.5	25%	0.249	25%	0.253	C	S	.	.	S	Bend	trans	-56.2	144.2	178.2	-91.9	171.8	-163	-71.8	-1.2	112.8	I218 R566 L589 N590 F599	I218-R593 HydrophobicContact CG2-CG 3.56Å; R566-R593 VanDerWaalsContact CZ-O 3.23Å; R566-R593 PolarHBondContact NH1-O 2.98Å; R566-R593 PolarHBondContact NH2-O 3.3Å; L589-R593 VanDerWaalsContact O-CG 3.3Å; L589-R593 WeakPolarHBondContact O-CG 3.29Å; L589-R593 PolarHBondContact O-N 3.04Å; N590-R593 PolarHBondContact OD1-NE 3.4Å; N590-R593 VanDerWaalsContact OD1-NE 3.11Å; R593-F599 HydrophobicContact CB-CB 4.25Å; R593-F599 HydrophobicContact CB-CD2 4.24Å; R593-F599 HydrophobicContact CB-CG 4.08Å; R593-F599 VanDerWaalsContact CD-CZ 3.47Å; R593-F599 HydrophobicContact CG-CD2 4.39Å
594	P	90	Very high	91.7	Very high	52 Å²	52	43 Å²	43	34%	0.338	22%	0.224	S	C	.	.	P	Polyproline II helix	trans	-59.4	155	173	-18.1	31.3	0	0	0	111.5	N219 S596	N219-P594 HydrophobicContact CB-CG 3.8Å; P594-S596 PolarHBondContact O-N 3.3Å
595	C	88.8	Confident	91.8	Very high	91 Å²	91	43 Å²	43	62%	0.615	22%	0.224	S	C	*	.	S	Bend	trans	-60	128.3	175.4	-171	0	0	0	0	110.1	F599	C595-F599 CarbonylContact C-O 3.58Å; C595-F599 VanDerWaalsContact CA-O 3.3Å; C595-F599 WeakPolarHBondContact CA-O 3.45Å
596	S	89.4	Confident	91.7	Very high	54 Å²	54	42.7 Å²	42.7	38%	0.378	22%	0.222	S	C	.	.			trans	-152.5	173.8	179.6	64.4	0	0	0	0	110.3	P594 K598 F599 T600	P594-S596 PolarHBondContact O-N 3.3Å; S596-K598 PolarHBondContact O-N 3.34Å; S596-K598 VanDerWaalsContact O-N 3.13Å; S596-K598 PolarHBondContact OG-N 3.43Å; S596-F599 PolarHBondContact N-O 2.95Å; S596-F599 CarbonylContact O-C 3.57Å; S596-F599 PolarHBondContact O-N 3.46Å; S596-F599 PolarHBondContact OG-N 2.94Å; S596-F599 VanDerWaalsContact OG-N 3.11Å; S596-T600 PolarHBondContact O-N 2.98Å
597	K	84.5	Confident	91.7	Very high	213 Å²	213	39.5 Å²	39.5	93%	0.926	21%	0.209	S	C	*	.	S	Bend	trans	-55.2	-31.3	173.7	-67.9	-174.8	179.2	-179.7	0	113
598	K	83.9	Confident	91.6	Very high	137 Å²	137	41.6 Å²	41.6	60%	0.596	22%	0.219	S	C	*	.	S	Bend	trans	-89.6	-30.2	-179.1	-172.6	176.6	177.1	-177.3	0	113	S596	S596-K598 PolarHBondContact O-N 3.34Å; S596-K598 VanDerWaalsContact O-N 3.13Å; S596-K598 PolarHBondContact OG-N 3.43Å
599	F	88.8	Confident	91.7	Very high	13 Å²	13	41.6 Å²	41.6	6%	0.057	22%	0.219	C	C	.	.	S	Bend	trans	-127.3	83	-180	-65.6	-81.2	0	0	0	108.4	R566 N590 R593 C595 S596	R566-F599 PolarHBondContact NH2-O 3.14Å; N590-F599 HydrophobicContact CB-CD1 4.37Å; N590-F599 HydrophobicContact CB-CE1 3.64Å; N590-F599 HydrophobicContact CB-CZ 4.3Å; N590-F599 WeakPolarHBondContact OD1-CE1 3.47Å; N590-F599 WeakPolarHBondContact OD1-CZ 3.17Å; R593-F599 HydrophobicContact CB-CB 4.25Å; R593-F599 HydrophobicContact CB-CD2 4.24Å; R593-F599 HydrophobicContact CB-CG 4.08Å; R593-F599 VanDerWaalsContact CD-CZ 3.47Å; R593-F599 HydrophobicContact CG-CD2 4.39Å; C595-F599 CarbonylContact C-O 3.58Å; C595-F599 VanDerWaalsContact CA-O 3.3Å; C595-F599 WeakPolarHBondContact CA-O 3.45Å; S596-F599 PolarHBondContact N-O 2.95Å; S596-F599 CarbonylContact O-C 3.57Å; S596-F599 PolarHBondContact O-N 3.46Å; S596-F599 PolarHBondContact OG-N 2.94Å; S596-F599 VanDerWaalsContact OG-N 3.11Å
600	T	90.7	Very high	91.8	Very high	38 Å²	38	42 Å²	42	23%	0.233	22%	0.22	C	C	.	.			trans	-75.9	166.6	177.6	64.5	0	0	0	0	110.8	Q563 R566 N567 S596	Q563-T600 WeakPolarHBondContact CG-OG1 3.04Å; Q563-T600 PolarHBondContact NE2-OG1 3.32Å; R566-T600 WeakPolarHBondContact CB-O 3.48Å; R566-T600 PolarHBondContact NE-O 3.44Å; N567-T600 VanDerWaalsContact CG-OG1 3.24Å; N567-T600 PolarHBondContact ND2-OG1 3.19Å; N567-T600 VanDerWaalsContact OD1-C 3.25Å; N567-T600 WeakPolarHBondContact OD1-CB 3.47Å; N567-T600 PolarHBondContact OD1-OG1 2.92Å; S596-T600 PolarHBondContact O-N 2.98Å
601	G	89.8	Confident	92	Very high	17 Å²	17	40.9 Å²	40.9	18%	0.175	22%	0.215	C	C	.	.	S	Bend	trans	78.9	172.6	178.1	0	0	0	0	0	113	R566 N567	R566-G601 PolarHBondContact NH2-O 2.94Å; N567-G601 VanDerWaalsContact OD1-CA 3.3Å; N567-G601 WeakPolarHBondContact OD1-CA 3.19Å; N567-G601 PolarHBondContact OD1-N 3.28Å
602	I	90.5	Very high	92.1	Very high	81 Å²	81	40.9 Å²	40.9	42%	0.415	22%	0.215	S	C	.	.			trans	-75.7	139.2	-174.2	-55.9	164.1	0	0	0	108.5	R566 R629	R566-I602 PolarHBondContact O-N 3.44Å; I602-R629 PolarHBondContact O-NH1 3.47Å
603	P	92.7	Very high	92.3	Very high	18 Å²	18	40.9 Å²	40.9	12%	0.117	22%	0.215	C	C	.	.			trans	-65.6	156	175.7	25.1	-34.4	0	0	0	113	F591 I630	F591-P603 CarbonylContact O-C 3.57Å; F591-P603 VanDerWaalsContact O-CA 3.23Å; F591-P603 WeakPolarHBondContact O-CA 3.29Å; P603-I630 HydrophobicContact CB-CD1 3.91Å; P603-I630 HydrophobicContact CB-CG1 4.32Å; P603-I630 HydrophobicContact CG-CB 4.38Å; P603-I630 HydrophobicContact CG-CD1 3.46Å; P603-I630 VanDerWaalsContact CG-CD1 3.46Å; P603-I630 HydrophobicContact CG-CG1 3.91Å
604	F	94.2	Very high	92.5	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	135.6	163.3	-65.5	-94.7	0	0	0	110	R566 I571 I574 F591 A592 L627 E628 R629	R566-F604 HydrophobicContact CG-CD2 4.27Å; R566-F604 HydrophobicContact CG-CE2 4.48Å; I571-F604 HydrophobicContact CB-CZ 4.06Å; I571-F604 HydrophobicContact CG2-CE1 3.97Å; I571-F604 HydrophobicContact CG2-CZ 3.58Å; I571-F604 WeakPolarHBondContact O-CZ 3.37Å; I574-F604 HydrophobicContact CD1-CD1 4.27Å; I574-F604 HydrophobicContact CD1-CD2 3.88Å; I574-F604 HydrophobicContact CD1-CE1 4.04Å; I574-F604 HydrophobicContact CD1-CE2 3.58Å; I574-F604 HydrophobicContact CD1-CG 4.2Å; I574-F604 HydrophobicContact CD1-CZ 3.67Å; I574-F604 HydrophobicContact CG1-CD1 4.39Å; I574-F604 HydrophobicContact CG1-CE1 4.03Å; I574-F604 HydrophobicContact CG1-CE2 4.44Å; I574-F604 HydrophobicContact CG1-CZ 4.04Å; F591-F604 CarbonylContact C-O 3.58Å; F591-F604 VanDerWaalsContact C-O 3.25Å; F591-F604 HydrophobicContact CB-CB 4.31Å; F591-F604 HydrophobicContact CD1-CB 4.41Å; F591-F604 AromaticContact CD1-CD2 3.97Å; F591-F604 HydrophobicContact CD1-CD2 3.97Å; F591-F604 PolarHBondContact O-N 2.92Å; A592-F604 WeakPolarHBondContact CA-O 3.36Å; A592-F604 WeakPolarHBondContact CB-O 3.37Å; A592-F604 PolarHBondContact N-O 3.12Å; A592-F604 VanDerWaalsContact N-O 3.16Å; F604-L627 HydrophobicContact CB-CB 3.91Å; F604-E628 CarbonylContact C-O 3.57Å; F604-E628 WeakPolarHBondContact CA-O 3.34Å; F604-R629 HydrophobicContact CD1-CG 4.27Å; F604-R629 HydrophobicContact CE1-CG 3.94Å
605	V	93.5	Very high	92.8	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.006	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	139.1	178.6	63.5	0	0	0	0	109.8	I222 V228 I242 T607 L627 E628 I630	I222-V605 HydrophobicContact CG2-CG2 3.77Å; V228-V605 HydrophobicContact CG2-CG2 3.78Å; I242-V605 HydrophobicContact CD1-CG2 4.25Å; I242-V605 HydrophobicContact CG1-CG2 4.47Å; V605-T607 HydrophobicContact CG1-CG2 4.01Å; V605-T607 PolarHBondContact O-N 2.91Å; V605-L627 CarbonylContact O-C 3.53Å; V605-L627 WeakPolarHBondContact O-CA 3.48Å; V605-E628 PolarHBondContact N-O 2.85Å; V605-E628 PolarHBondContact O-N 2.88Å; V605-I630 HydrophobicContact CB-CG1 4.25Å; V605-I630 HydrophobicContact CG1-CG1 4.12Å
606	P	94.4	Very high	93.2	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	124	169.4	-16.8	28.9	0	0	0	110.8	I242 F588 L625 L626 L627	I242-P606 HydrophobicContact CG1-CB 4.37Å; I242-P606 HydrophobicContact CG1-CG 4.26Å; I242-P606 HydrophobicContact CG2-CB 4.1Å; I242-P606 HydrophobicContact CG2-CG 4.3Å; F588-P606 HydrophobicContact CB-CG 4.46Å; P606-L625 HydrophobicContact CB-CD2 4.03Å; P606-L625 HydrophobicContact CG-CD2 4.43Å; P606-L626 WeakPolarHBondContact CA-O 3.26Å; P606-L627 HydrophobicContact CB-CD2 3.86Å; P606-L627 HydrophobicContact CG-CD2 3.68Å
607	T	92.8	Very high	93.4	Very high	19 Å²	19	30.3 Å²	30.3	12%	0.117	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	-22.4	-179.6	58.6	0	0	0	0	112.9	C243 V605 L626 E628	C243-T607 WeakPolarHBondContact CB-O 3.33Å; V605-T607 HydrophobicContact CG1-CG2 4.01Å; V605-T607 PolarHBondContact O-N 2.91Å; T607-L626 PolarHBondContact N-O 3.19Å; T607-L626 PolarHBondContact OG1-O 3.38Å; T607-E628 WeakPolarHBondContact CB-OE2 3.4Å; T607-E628 HydrophobicContact CG2-CB 3.84Å; T607-E628 HydrophobicContact CG2-CG 3.95Å; T607-E628 VanDerWaalsContact CG2-OE2 3.27Å; T607-E628 WeakPolarHBondContact CG2-OE2 3.3Å; T607-E628 VanDerWaalsContact OG1-CD 3.32Å; T607-E628 WeakPolarHBondContact OG1-CG 3.32Å; T607-E628 PolarHBondContact OG1-OE2 3.42Å
608	M	93.6	Very high	93.9	Very high	52 Å²	52	20.8 Å²	20.8	26%	0.256	11%	0.108	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	146.9	174.8	-169.6	171.4	69.3	0	0	110.8	L453 E610 L625 L626	L453-M608 HydrophobicContact CD2-CE 3.09Å; L453-M608 HydrophobicContact CG-CE 4.44Å; M608-E610 HydrophobicContact CE-CG 4.36Å; M608-L625 WeakPolarHBondContact O-CA 3.43Å; M608-L626 HydrophobicContact CB-CB 4.2Å; M608-L626 PolarHBondContact O-N 2.74Å
609	A	96.8	Very high	94.4	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	139.1	169.8	0	0	0	0	0	110.7	L208 K244 L245 A246 I624 L625	L208-A609 HydrophobicContact CD1-CB 3.88Å; L208-A609 HydrophobicContact CD2-CB 4.26Å; K244-A609 PolarHBondContact O-N 3.05Å; L245-A609 WeakPolarHBondContact CA-O 3.38Å; L245-A609 HydrophobicContact CD1-CB 3.82Å; A246-A609 PolarHBondContact N-O 3.09Å; A609-I624 CarbonylContact C-O 3.18Å; A609-I624 WeakPolarHBondContact CA-O 3.33Å; A609-L625 HydrophobicContact CB-CG 4.32Å
610	E	97.4	Very high	94.6	Very high	7 Å²	7	24.2 Å²	24.2	3%	0.033	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	157.5	167.2	-56.3	-170.3	175.6	0	0	108.5	A246 R449 M608 V623 I624	A246-E610 HydrophobicContact CB-CG 3.95Å; R449-E610 WeakPolarHBondContact CB-OE2 3.37Å; R449-E610 IonicContact CZ-OE1 3.88Å; R449-E610 IonicContact CZ-OE2 3.61Å; R449-E610 IonicContact NE-OE1 2.91Å; R449-E610 IonicContact NE-OE2 3.39Å; R449-E610 PolarHBondContact NE-OE2 3.12Å; R449-E610 IonicContact NH2-OE1 2.74Å; R449-E610 PolarHBondContact NH2-OE1 3.09Å; R449-E610 IonicContact NH2-OE2 2.92Å; R449-E610 PolarHBondContact NH2-OE2 3.11Å; M608-E610 HydrophobicContact CE-CG 4.36Å; E610-V623 CarbonylContact O-C 3.47Å; E610-V623 WeakPolarHBondContact O-CA 3.32Å; E610-V623 WeakPolarHBondContact O-CG1 3.49Å; E610-I624 HydrophobicContact CB-CB 4.41Å; E610-I624 PolarHBondContact N-O 2.66Å; E610-I624 PolarHBondContact O-N 2.89Å
611	A	98	Very high	94.8	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	138.4	172.4	0	0	0	0	0	110.8	I248 I249 E622 V623	I248-A611 HydrophobicContact CD1-CB 3.69Å; I249-A611 PolarHBondContact N-O 3.08Å; A611-E622 CarbonylContact C-O 3.6Å; A611-E622 WeakPolarHBondContact CA-O 3.47Å; A611-V623 HydrophobicContact CB-CG2 4.18Å
612	V	98.4	Very high	95.1	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	131.4	176.7	-169.6	0	0	0	0	108.6	I249 L445 L446 L614 E622	I249-V612 HydrophobicContact CB-CB 4.5Å; I249-V612 HydrophobicContact CB-CG1 4.33Å; I249-V612 HydrophobicContact CB-CG2 4.22Å; I249-V612 HydrophobicContact CD1-CG2 3.99Å; I249-V612 HydrophobicContact CG2-CG1 4.21Å; L445-V612 HydrophobicContact CB-CG1 4.29Å; L446-V612 HydrophobicContact CB-CG2 4.24Å; L446-V612 HydrophobicContact CD1-CB 4.19Å; L446-V612 HydrophobicContact CD1-CG2 3.79Å; V612-L614 HydrophobicContact CB-CD1 3.8Å; V612-L614 HydrophobicContact CG1-CD1 3.72Å; V612-L614 PolarHBondContact O-N 3.28Å; V612-E622 PolarHBondContact N-O 2.94Å; V612-E622 PolarHBondContact O-N 3.25Å
613	D	97.9	Very high	95.4	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	8%	0.084	C	C	.	.			trans	-80.4	100	173.9	-171	4.6	0	0	0	111.1	Y192 K200 I249 S251 F615	Y192-D613 WeakPolarHBondContact CE2-OD2 3.41Å; K200-D613 VanDerWaalsContact CE-OD2 3.26Å; K200-D613 WeakPolarHBondContact CE-OD2 3.11Å; K200-D613 IonicContact NZ-OD1 3.78Å; K200-D613 PolarHBondContact NZ-OD1 3.47Å; K200-D613 IonicContact NZ-OD2 3.82Å; K200-D613 PolarHBondContact NZ-OD2 3Å; I249-D613 PolarHBondContact O-N 3.46Å; S251-D613 WeakPolarHBondContact CA-O 3.46Å; S251-D613 WeakPolarHBondContact CB-O 3.49Å; D613-F615 WeakPolarHBondContact OD1-CA 3.44Å; D613-F615 PolarHBondContact OD1-N 3.44Å
614	L	96.9	Very high	95.6	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	8%	0.078	C	C	.	.	S	Bend	trans	-89.8	-11.7	169.7	-80	69.2	0	0	0	112.4	Y257 Q437 N439 A442 A443 V612 P616 E622	Y257-L614 WeakPolarHBondContact CE2-O 3.26Å; Q437-L614 HydrophobicContact CB-CD2 4.46Å; Q437-L614 HydrophobicContact CG-CD2 4.45Å; N439-L614 HydrophobicContact CB-CB 4.36Å; N439-L614 VanDerWaalsContact CB-O 3.3Å; N439-L614 WeakPolarHBondContact CB-O 3.4Å; N439-L614 PolarHBondContact ND2-O 3.2Å; N439-L614 VanDerWaalsContact ND2-O 3.11Å; A442-L614 HydrophobicContact CB-CB 4.26Å; A442-L614 HydrophobicContact CB-CD1 4.04Å; A442-L614 HydrophobicContact CB-CG 3.69Å; A443-L614 HydrophobicContact CB-CD2 4.42Å; V612-L614 HydrophobicContact CB-CD1 3.8Å; V612-L614 HydrophobicContact CG1-CD1 3.72Å; V612-L614 PolarHBondContact O-N 3.28Å; L614-P616 VanDerWaalsContact C-CD 3.45Å; L614-E622 HydrophobicContact CD1-CB 3.89Å; L614-E622 HydrophobicContact CD1-CG 3.74Å; L614-E622 HydrophobicContact CD2-CG 3.72Å; L614-E622 HydrophobicContact CG-CG 4.2Å
615	F	96.1	Very high	95.7	Very high	27 Å²	27	17.5 Å²	17.5	12%	0.118	8%	0.078	C	C	.	.	S	Bend	trans	-131.8	64.8	-167.3	-44.1	-81.1	0	0	0	112.5	K200 V438 D613 T618 H620 E622	K200-F615 PolarHBondContact NZ-O 2.91Å; V438-F615 HydrophobicContact CG2-CD1 3.93Å; V438-F615 HydrophobicContact CG2-CE1 3.57Å; D613-F615 WeakPolarHBondContact OD1-CA 3.44Å; D613-F615 PolarHBondContact OD1-N 3.44Å; F615-T618 HydrophobicContact CB-CG2 4.23Å; F615-T618 WeakPolarHBondContact CB-OG1 3.27Å; F615-T618 PolarHBondContact O-N 3.2Å; F615-T618 VanDerWaalsContact O-N 3.12Å; F615-T618 PolarHBondContact O-OG1 2.88Å; F615-H620 HydrophobicContact CB-CB 4.1Å; F615-H620 HydrophobicContact CD2-CB 3.57Å; F615-H620 HydrophobicContact CE2-CB 4.21Å; F615-H620 HydrophobicContact CG-CB 3.97Å; F615-E622 HydrophobicContact CE2-CG 4.3Å
616	P	96.3	Very high	95.9	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.1	145.5	172.7	-28.3	33.7	0	0	0	112.6	Y192 I253 Q254 Y257 L614 T618	Y192-P616 HydrophobicContact CD2-CB 4.37Å; Y192-P616 HydrophobicContact CE2-CB 4.06Å; Y192-P616 HydrophobicContact CE2-CG 4.24Å; I253-P616 WeakPolarHBondContact O-CG 3.33Å; Q254-P616 HydrophobicContact CB-CB 4.37Å; Y257-P616 HydrophobicContact CD1-CB 4.38Å; Y257-P616 HydrophobicContact CD1-CG 4.12Å; Y257-P616 HydrophobicContact CE1-CB 3.93Å; Y257-P616 HydrophobicContact CE1-CG 4.02Å; Y257-P616 PolarHBondContact OH-O 2.94Å; L614-P616 VanDerWaalsContact C-CD 3.45Å; P616-T618 PolarHBondContact O-N 3.33Å; P616-T618 VanDerWaalsContact O-N 3.17Å
617	Q	95.2	Very high	95.9	Very high	13 Å²	13	17.7 Å²	17.7	6%	0.061	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.9	-0.1	-176.8	-46.8	172.4	41.6	0	0	115.2	L185 L187 W188 Q196 N297	L185-Q617 CarbonylContact C-O 3.59Å; L185-Q617 WeakPolarHBondContact CA-O 3.36Å; L185-Q617 HydrophobicContact CB-CB 3.98Å; L185-Q617 HydrophobicContact CD2-CB 4.21Å; L185-Q617 HydrophobicContact CG-CB 4.45Å; L187-Q617 PolarHBondContact N-O 2.89Å; W188-Q617 HydrophobicContact CB-CB 4.35Å; Q196-Q617 VanDerWaalsContact OE1-CA 3.27Å; N297-Q617 PolarHBondContact OD1-NE2 3.32Å
618	T	94.7	Very high	95.9	Very high	13 Å²	13	19.6 Å²	19.6	8%	0.08	9%	0.087	C	C	.	.	S	Bend	trans	-110.9	166.7	172.1	83.8	0	0	0	0	111.1	L185 L187 K200 F615 P616 H620	L185-T618 HydrophobicContact CD2-CG2 3.98Å; L187-T618 VanDerWaalsContact CD1-O 3.27Å; L187-T618 WeakPolarHBondContact CD1-O 3.25Å; K200-T618 WeakPolarHBondContact CE-O 3.33Å; K200-T618 PolarHBondContact NZ-O 3.33Å; F615-T618 HydrophobicContact CB-CG2 4.23Å; F615-T618 WeakPolarHBondContact CB-OG1 3.27Å; F615-T618 PolarHBondContact O-N 3.2Å; F615-T618 VanDerWaalsContact O-N 3.12Å; F615-T618 PolarHBondContact O-OG1 2.88Å; P616-T618 PolarHBondContact O-N 3.33Å; P616-T618 VanDerWaalsContact O-N 3.17Å; T618-H620 PolarHBondContact O-N 3.16Å; T618-H620 PolarHBondContact OG1-N 3.28Å; T618-H620 VanDerWaalsContact OG1-N 3.13Å
619	R	93	Very high	95.8	Very high	145 Å²	145	18.3 Å²	18.3	55%	0.547	8%	0.079	S	C	.	.	S	Bend	trans	-78.5	-4.2	173.1	-66.5	-179.8	-177.5	175	0.3	114.1	P186 L187 L203	P186-R619 HydrophobicContact CG-CG 4.11Å; L187-R619 HydrophobicContact CD1-CG 4.22Å; L187-R619 HydrophobicContact CD2-CG 3.99Å; L187-R619 HydrophobicContact CG-CG 4.08Å; L203-R619 HydrophobicContact CD2-CB 4.49Å
620	H	93.1	Very high	94.9	Very high	78 Å²	78	19.9 Å²	19.9	36%	0.361	9%	0.087	S	C	.	.			trans	-81.9	147.4	-174.4	-61.3	-59.8	0	0	0	111.5	K200 F615 T618	K200-H620 PolarHBondContact NZ-O 3.16Å; F615-H620 HydrophobicContact CB-CB 4.1Å; F615-H620 HydrophobicContact CD2-CB 3.57Å; F615-H620 HydrophobicContact CE2-CB 4.21Å; F615-H620 HydrophobicContact CG-CB 3.97Å; T618-H620 PolarHBondContact O-N 3.16Å; T618-H620 PolarHBondContact OG1-N 3.28Å; T618-H620 VanDerWaalsContact OG1-N 3.13Å
621	T	94.6	Very high	93.4	Very high	7 Å²	7	23.4 Å²	23.4	4%	0.043	11%	0.111	C	C	.	.			trans	-143.8	152.6	170.3	51.3	0	0	0	0	108	K200	K200-T621 HydrophobicContact CB-CG2 3.77Å; K200-T621 HydrophobicContact CD-CG2 3.64Å; K200-T621 HydrophobicContact CG-CG2 3.81Å
622	E	96.4	Very high	91.5	Very high	4 Å²	4	28.6 Å²	28.6	2%	0.019	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	115	162.2	-72.8	-60	157	0	0	108.6	L446 C579 A611 V612 L614 F615	L446-E622 HydrophobicContact CD1-CB 3.86Å; L446-E622 HydrophobicContact CD2-CB 4.19Å; L446-E622 HydrophobicContact CD2-CG 4.18Å; C579-E622 WeakPolarHBondContact CA-OE1 3.31Å; C579-E622 VanDerWaalsContact CA-OE2 3.24Å; C579-E622 WeakPolarHBondContact CA-OE2 3.39Å; C579-E622 WeakPolarHBondContact CB-OE1 3.07Å; C579-E622 PolarHBondContact N-OE2 3.03Å; A611-E622 CarbonylContact C-O 3.6Å; A611-E622 WeakPolarHBondContact CA-O 3.47Å; V612-E622 PolarHBondContact N-O 2.94Å; V612-E622 PolarHBondContact O-N 3.25Å; L614-E622 HydrophobicContact CD1-CB 3.89Å; L614-E622 HydrophobicContact CD1-CG 3.74Å; L614-E622 HydrophobicContact CD2-CG 3.72Å; L614-E622 HydrophobicContact CG-CG 4.2Å; F615-E622 HydrophobicContact CE2-CG 4.3Å
623	V	97.2	Very high	89	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	128.1	177.2	-170	0	0	0	0	109.2	V204 I577 S578 I581 E610 A611 L625	V204-V623 HydrophobicContact CG1-CG1 4.23Å; V204-V623 HydrophobicContact CG1-CG2 4.45Å; V204-V623 HydrophobicContact CG2-CG2 3.84Å; I577-V623 CarbonylContact C-O 3.56Å; I577-V623 WeakPolarHBondContact CA-O 3.33Å; S578-V623 PolarHBondContact N-O 3.3Å; S578-V623 PolarHBondContact O-N 3.3Å; I581-V623 HydrophobicContact CB-CG2 4.2Å; I581-V623 HydrophobicContact CD1-CG1 4.26Å; E610-V623 CarbonylContact O-C 3.47Å; E610-V623 WeakPolarHBondContact O-CA 3.32Å; E610-V623 WeakPolarHBondContact O-CG1 3.49Å; A611-V623 HydrophobicContact CB-CG2 4.18Å; V623-L625 HydrophobicContact CB-CD1 4.27Å; V623-L625 HydrophobicContact CG1-CD1 3.54Å; V623-L625 HydrophobicContact CG1-CG 4.35Å
624	I	98	Very high	86	Confident	1 Å²	1	44.5 Å²	44.5	1%	0.005	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	122.4	170.3	-53.1	162	0	0	0	107.9	L446 R449 I450 L453 I575 Y576 A609 E610	L446-I624 HydrophobicContact CD1-CD1 3.55Å; L446-I624 HydrophobicContact CD1-CG1 3.6Å; R449-I624 HydrophobicContact CB-CD1 3.74Å; I450-I624 HydrophobicContact CG1-CD1 4.07Å; I450-I624 HydrophobicContact CG1-CG1 4.46Å; L453-I624 HydrophobicContact CD1-CG2 3.48Å; L453-I624 VanDerWaalsContact CD1-CG2 3.48Å; I575-I624 HydrophobicContact CG2-CG2 3.49Å; I575-I624 VanDerWaalsContact CG2-CG2 3.49Å; Y576-I624 CarbonylContact O-C 3.57Å; Y576-I624 WeakPolarHBondContact O-CA 3.2Å; A609-I624 CarbonylContact C-O 3.18Å; A609-I624 WeakPolarHBondContact CA-O 3.33Å; E610-I624 HydrophobicContact CB-CB 4.41Å; E610-I624 PolarHBondContact N-O 2.66Å; E610-I624 PolarHBondContact O-N 2.89Å
625	L	96.5	Very high	85.5	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	126.6	169.4	-71.6	96	0	0	0	110.2	L208 Y576 I581 F588 P606 M608 A609 V623 L627	L208-L625 HydrophobicContact CD2-CD2 3.84Å; Y576-L625 PolarHBondContact N-O 2.68Å; Y576-L625 PolarHBondContact O-N 3.01Å; I581-L625 HydrophobicContact CD1-CD1 4.43Å; F588-L625 HydrophobicContact CD2-CD2 4.46Å; F588-L625 HydrophobicContact CE1-CB 4.29Å; F588-L625 HydrophobicContact CE1-CD1 4.17Å; F588-L625 HydrophobicContact CE1-CD2 4.31Å; F588-L625 HydrophobicContact CE2-CD1 3.99Å; F588-L625 HydrophobicContact CE2-CD2 4.21Å; F588-L625 HydrophobicContact CZ-CD1 3.55Å; F588-L625 HydrophobicContact CZ-CD2 4.17Å; F588-L625 HydrophobicContact CZ-CG 4.3Å; P606-L625 HydrophobicContact CB-CD2 4.03Å; P606-L625 HydrophobicContact CG-CD2 4.43Å; M608-L625 WeakPolarHBondContact O-CA 3.43Å; A609-L625 HydrophobicContact CB-CG 4.32Å; V623-L625 HydrophobicContact CB-CD1 4.27Å; V623-L625 HydrophobicContact CG1-CD1 3.54Å; V623-L625 HydrophobicContact CG1-CG 4.35Å; L625-L627 HydrophobicContact CB-CD2 4.17Å
626	L	96	Very high	84.9	Confident	5 Å²	5	47.7 Å²	47.7	3%	0.026	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	117.4	167.1	-176.3	63.6	0	0	0	108.4	L456 R573 I575 P606 T607 M608 E628	L456-L626 HydrophobicContact CD1-CD2 3.98Å; R573-L626 HydrophobicContact CB-CD1 4.14Å; I575-L626 HydrophobicContact CG1-CD1 4.22Å; P606-L626 WeakPolarHBondContact CA-O 3.26Å; T607-L626 PolarHBondContact N-O 3.19Å; T607-L626 PolarHBondContact OG1-O 3.38Å; M608-L626 HydrophobicContact CB-CB 4.2Å; M608-L626 PolarHBondContact O-N 2.74Å; L626-E628 HydrophobicContact CD1-CG 4.41Å; L626-E628 HydrophobicContact CD2-CG 4.14Å; L626-E628 HydrophobicContact CG-CG 3.83Å
627	L	95.7	Very high	84.3	Confident	1 Å²	1	50.4 Å²	50.4	1%	0.005	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	122.2	175.7	-47.3	179.5	0	0	0	108.8	R573 I574 Y576 F588 F591 F604 V605 P606 L625	R573-L627 CarbonylContact C-O 3.58Å; R573-L627 VanDerWaalsContact CA-O 3.3Å; R573-L627 WeakPolarHBondContact CA-O 3.49Å; I574-L627 HydrophobicContact CB-CB 4.25Å; I574-L627 PolarHBondContact N-O 3.37Å; I574-L627 PolarHBondContact O-N 2.87Å; Y576-L627 HydrophobicContact CD2-CD1 4.48Å; F588-L627 HydrophobicContact CD1-CD1 4.23Å; F588-L627 HydrophobicContact CD1-CD2 3.98Å; F588-L627 HydrophobicContact CE1-CD2 4.39Å; F591-L627 HydrophobicContact CB-CD1 4.33Å; F591-L627 HydrophobicContact CD1-CD1 4.46Å; F591-L627 HydrophobicContact CD2-CD1 3.74Å; F591-L627 HydrophobicContact CE2-CD1 4.12Å; F591-L627 HydrophobicContact CG-CD1 3.94Å; F604-L627 HydrophobicContact CB-CB 3.91Å; V605-L627 CarbonylContact O-C 3.53Å; V605-L627 WeakPolarHBondContact O-CA 3.48Å; P606-L627 HydrophobicContact CB-CD2 3.86Å; P606-L627 HydrophobicContact CG-CD2 3.68Å; L625-L627 HydrophobicContact CB-CD2 4.17Å
628	E	93.2	Very high	83.6	Confident	58 Å²	58	52.6 Å²	52.6	27%	0.271	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	155.7	-176.6	-53.5	-171.6	101.6	0	0	110.8	R573 F604 V605 T607 L626 I630	R573-E628 WeakPolarHBondContact CD-OE1 3.26Å; R573-E628 HydrophobicContact CG-CB 4.49Å; R573-E628 HydrophobicContact CG-CG 3.93Å; F604-E628 CarbonylContact C-O 3.57Å; F604-E628 WeakPolarHBondContact CA-O 3.34Å; V605-E628 PolarHBondContact N-O 2.85Å; V605-E628 PolarHBondContact O-N 2.88Å; T607-E628 WeakPolarHBondContact CB-OE2 3.4Å; T607-E628 HydrophobicContact CG2-CB 3.84Å; T607-E628 HydrophobicContact CG2-CG 3.95Å; T607-E628 VanDerWaalsContact CG2-OE2 3.27Å; T607-E628 WeakPolarHBondContact CG2-OE2 3.3Å; T607-E628 VanDerWaalsContact OG1-CD 3.32Å; T607-E628 WeakPolarHBondContact OG1-CG 3.32Å; T607-E628 PolarHBondContact OG1-OE2 3.42Å; L626-E628 HydrophobicContact CD1-CG 4.41Å; L626-E628 HydrophobicContact CD2-CG 4.14Å; L626-E628 HydrophobicContact CG-CG 3.83Å; E628-I630 PolarHBondContact O-N 3.03Å
629	R	90.7	Very high	82.9	Confident	26 Å²	26	55.1 Å²	55.1	10%	0.098	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.8	141.1	174.8	-65.4	-64.1	-171.9	175.4	2.3	109.7	R566 C568 I571 Q572 I602 F604 P631	R566-R629 PolarHBondContact O-NH1 2.95Å; R566-R629 PolarHBondContact O-NH2 3.07Å; C568-R629 PolarHBondContact O-NH2 2.98Å; I571-R629 PolarHBondContact O-NE 2.79Å; I571-R629 PolarHBondContact O-NH2 3.09Å; Q572-R629 PolarHBondContact O-N 3.16Å; I602-R629 PolarHBondContact O-NH1 3.47Å; F604-R629 HydrophobicContact CD1-CG 4.27Å; F604-R629 HydrophobicContact CE1-CG 3.94Å; R629-P631 WeakPolarHBondContact O-CD 3.29Å
630	I	77.1	Confident	82.3	Confident	33 Å²	33	49.1 Å²	49.1	17%	0.169	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-64.4	123.9	164.3	-57.8	-174.8	0	0	0	106.5	I222 V225 P603 V605 E628 S632	I222-I630 HydrophobicContact CD1-CD1 4.15Å; I222-I630 HydrophobicContact CG1-CD1 3.59Å; V225-I630 HydrophobicContact CG2-CG2 3.7Å; P603-I630 HydrophobicContact CB-CD1 3.91Å; P603-I630 HydrophobicContact CB-CG1 4.32Å; P603-I630 HydrophobicContact CG-CB 4.38Å; P603-I630 HydrophobicContact CG-CD1 3.46Å; P603-I630 VanDerWaalsContact CG-CD1 3.46Å; P603-I630 HydrophobicContact CG-CG1 3.91Å; V605-I630 HydrophobicContact CB-CG1 4.25Å; V605-I630 HydrophobicContact CG1-CG1 4.12Å; E628-I630 PolarHBondContact O-N 3.03Å; I630-S632 PolarHBondContact O-N 3.22Å
631	P	65.6	Low	81.5	Confident	81 Å²	81	47 Å²	47	53%	0.526	28%	0.28	S	S	.	.	P	Polyproline II helix	trans	-52	130.1	172.6	-22.8	32.2	0	0	0	108.4	R629 N633	R629-P631 WeakPolarHBondContact O-CD 3.29Å; P631-N633 PolarHBondContact O-N 3.26Å; P631-N633 VanDerWaalsContact O-N 3.09Å
632	S	58.4	Low	80.5	Confident	109 Å²	109	50.1 Å²	50.1	76%	0.762	30%	0.299	S	S	*	.	P	Polyproline II helix	trans	-55.8	122.4	165.8	43.7	0	0	0	0	106.4	I630 P634	I630-S632 PolarHBondContact O-N 3.22Å; S632-P634 WeakPolarHBondContact O-CD 3.4Å; S632-P634 VanDerWaalsContact O-N 3.08Å
633	N	46.7	Very low	79.2	Confident	142 Å²	142	53.9 Å²	53.9	76%	0.759	32%	0.322	S	S	*	.	P	Polyproline II helix	trans	-47.8	123.4	169.9	-118.9	-5.8	0	0	0	106.8	P631	P631-N633 PolarHBondContact O-N 3.26Å; P631-N633 VanDerWaalsContact O-N 3.09Å
634	P	34.9	Very low	77.5	Confident	191 Å²	191	58.8 Å²	58.8	100%	1.24	35%	0.351	S	S	*	.			trans	-59.1	0	178.2	22.9	-31.9	0	0	0	112.2	S632	S632-P634 WeakPolarHBondContact O-CD 3.4Å; S632-P634 VanDerWaalsContact O-N 3.08Å

Retrieved 634 of 634 residues in 226 ms (Link to these results)

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