A0A3Q0KNA1_SCHMA Loading...

Serine/threonine-protein phosphatase with EF-hands

AlphaFold DB , UniProt , Accession A0A3Q0KNA1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 655 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	34.2	Very low	32.8	Very low	250 Å²	250	133.9 Å²	133.9	100%	1.232	82%	0.821	S	S	*	*				0	108.7	0	-73.3	-163.1	-100.8	0	0	108.2
2	G	29.9	Very low	32.7	Very low	83 Å²	83	136.2 Å²	136.2	86%	0.856	82%	0.821	S	S	*	*			trans	-79.6	132.8	-173.6	0	0	0	0	0	112
3	C	31.9	Very low	32.4	Very low	109 Å²	109	133.7 Å²	133.7	74%	0.736	81%	0.807	S	S	*	*			trans	-156.5	87.6	148.7	-152.7	0	0	0	0	105.6	Q5	C3-Q5 VanDerWaalsContact C-N 3.35Å; C3-Q5 PolarHBondContact O-N 3.13Å
4	S	31.4	Very low	32.4	Very low	123 Å²	123	134.2 Å²	134.2	86%	0.86	80%	0.803	S	S	*	*			trans	-82.8	80.4	174.7	46.6	0	0	0	0	108.4
5	Q	33.9	Very low	32.3	Very low	167 Å²	167	134.3 Å²	134.3	78%	0.78	81%	0.811	S	S	*	*			trans	-103.5	93.7	157.6	-77.5	-171.3	-13.1	0	0	107.4	C3 I7	C3-Q5 VanDerWaalsContact C-N 3.35Å; C3-Q5 PolarHBondContact O-N 3.13Å; Q5-I7 PolarHBondContact O-N 2.91Å; Q5-I7 VanDerWaalsContact O-N 3.15Å
6	S	33.4	Very low	32.3	Very low	118 Å²	118	136.2 Å²	136.2	83%	0.825	81%	0.808	S	S	*	*			trans	-68.3	97.1	167.4	48.5	0	0	0	0	108.4	S8	S6-S8 PolarHBondContact O-N 3.19Å
7	I	31.7	Very low	32.5	Very low	147 Å²	147	136 Å²	136	75%	0.754	81%	0.808	S	S	*	*			trans	-80.5	112.9	164.7	-62.1	174.3	0	0	0	106.1	Q5 V9	Q5-I7 PolarHBondContact O-N 2.91Å; Q5-I7 VanDerWaalsContact O-N 3.15Å; I7-V9 PolarHBondContact O-N 3.09Å
8	S	31.3	Very low	32.6	Very low	112 Å²	112	138.7 Å²	138.7	78%	0.783	81%	0.808	S	S	*	*			trans	-64.4	112.4	176.3	59.6	0	0	0	0	109.4	S6 G10	S6-S8 PolarHBondContact O-N 3.19Å; S8-G10 PolarHBondContact O-N 3.03Å; S8-G10 VanDerWaalsContact O-N 3.15Å
9	V	36.2	Very low	32.5	Very low	126 Å²	126	143.4 Å²	143.4	76%	0.764	81%	0.81	S	S	*	*			trans	-78.6	96.4	169.6	-177.7	0	0	0	0	106.3	I7 E11	I7-V9 PolarHBondContact O-N 3.09Å; V9-E11 PolarHBondContact O-N 2.97Å
10	G	34.6	Very low	32.5	Very low	58 Å²	58	144 Å²	144	60%	0.598	81%	0.812	S	S	*	*			trans	-64.5	125.3	171.1	0	0	0	0	0	110.4	S8 I12	S8-G10 PolarHBondContact O-N 3.03Å; S8-G10 VanDerWaalsContact O-N 3.15Å; G10-I12 PolarHBondContact O-N 2.91Å
11	E	31.8	Very low	32.4	Very low	180 Å²	180	141.8 Å²	141.8	84%	0.841	81%	0.806	S	S	*	*			trans	22.4	93.2	150.7	-67	173.1	167.7	0	0	116.5	V9	V9-E11 PolarHBondContact O-N 2.97Å
12	I	31.7	Very low	32.4	Very low	161 Å²	161	137.3 Å²	137.3	83%	0.826	79%	0.787	S	S	*	*			trans	-102.3	83.4	156.2	-58.4	173	0	0	0	105.7	G10	G10-I12 PolarHBondContact O-N 2.91Å
13	T	29.9	Very low	32.5	Very low	104 Å²	104	142.6 Å²	142.6	64%	0.638	79%	0.789	S	S	*	*			trans	-118	126.2	169.1	44.8	0	0	0	0	108.9
14	D	31.3	Very low	32.5	Very low	141 Å²	141	143.1 Å²	143.1	75%	0.754	79%	0.789	S	S	*	*			trans	68.1	77.1	152.6	-52.8	-25.6	0	0	0	119.1	E16	D14-E16 PolarHBondContact O-N 3.45Å
15	C	32.1	Very low	32.6	Very low	136 Å²	136	145 Å²	145	92%	0.919	79%	0.789	S	S	*	*			trans	-89.6	80.8	148.2	-81.8	0	0	0	0	109.2	V17	C15-V17 PolarHBondContact O-N 3.42Å
16	E	32.4	Very low	32.5	Very low	164 Å²	164	144.5 Å²	144.5	77%	0.766	79%	0.786	S	S	*	*			trans	-65	124.2	166.7	-80.7	-170.6	148.3	0	0	110.6	D14 K18	D14-E16 PolarHBondContact O-N 3.45Å; E16-K18 PolarHBondContact O-N 3.42Å
17	V	35.5	Very low	32.4	Very low	133 Å²	133	145.7 Å²	145.7	81%	0.806	78%	0.783	S	S	*	*			trans	-69.9	88	177.4	179.8	0	0	0	0	109.5	C15 R19	C15-V17 PolarHBondContact O-N 3.42Å; V17-R19 PolarHBondContact O-N 3.47Å
18	K	34	Very low	32.5	Very low	184 Å²	184	148.2 Å²	148.2	80%	0.8	79%	0.792	S	S	*	*			trans	-76.5	102.5	165.2	-80.3	-174.8	177.4	175.9	0	109.7	E16 N20	E16-K18 PolarHBondContact O-N 3.42Å; K18-N20 PolarHBondContact O-N 2.95Å
19	R	30.1	Very low	32.5	Very low	228 Å²	228	147.8 Å²	147.8	86%	0.86	79%	0.789	S	S	*	*			trans	-63.3	119.6	158.4	-68.1	178.8	-171.8	175.6	2.5	107.5	V17	V17-R19 PolarHBondContact O-N 3.47Å
20	N	33.3	Very low	32.5	Very low	156 Å²	156	149.3 Å²	149.3	83%	0.834	79%	0.792	S	S	*	*			trans	-145.3	139.1	156.1	-96.5	-17.7	0	0	0	110.2	K18	K18-N20 PolarHBondContact O-N 2.95Å
21	S	31	Very low	32.7	Very low	98 Å²	98	152.7 Å²	152.7	69%	0.685	80%	0.801	S	S	*	*			trans	-67.4	143.2	-168.1	45	0	0	0	0	115
22	D	32.2	Very low	33.3	Very low	156 Å²	156	153.2 Å²	153.2	83%	0.834	80%	0.801	S	S	*	*			trans	29.9	97	138.1	-54.9	-24.5	0	0	0	117.5
23	Q	33	Very low	34.1	Very low	193 Å²	193	151.5 Å²	151.5	90%	0.902	80%	0.798	S	S	*	*			trans	-143.3	116.9	138.4	-100.8	-179.8	-2.1	0	0	108.9
24	V	32.4	Very low	35.2	Very low	121 Å²	121	150.6 Å²	150.6	73%	0.733	80%	0.795	S	S	*	*			trans	-78.7	115.3	175.9	174	0	0	0	0	107.1
25	D	32.9	Very low	36.3	Very low	161 Å²	161	147.7 Å²	147.7	86%	0.861	79%	0.786	S	S	*	*			trans	-137.8	127.3	158.3	-101.1	-33.2	0	0	0	110.6
26	H	31.5	Very low	37.3	Very low	158 Å²	158	143.3 Å²	143.3	73%	0.731	76%	0.764	S	S	*	*			trans	-74.2	156.2	-177	-88.7	-84.2	0	0	0	111.7
27	N	30.7	Very low	38.4	Very low	142 Å²	142	142.1 Å²	142.1	76%	0.759	76%	0.759	S	S	*	*			trans	87.5	85.3	165.8	-56	-27	0	0	0	116.8
28	H	34.1	Very low	39.4	Very low	201 Å²	201	145 Å²	145	93%	0.931	76%	0.755	S	S	*	*				-157.8	100.1	126.8	-97.1	-55.7	0	0	0	110.2
29	S	32.4	Very low	40.9	Very low	103 Å²	103	138.8 Å²	138.8	72%	0.72	73%	0.734	S	S	*	*			trans	-80.4	144.1	163.4	179.3	0	0	0	0	108.7
30	L	35.4	Very low	42.8	Very low	157 Å²	157	131.7 Å²	131.7	82%	0.822	72%	0.72	S	S	*	*	S	Bend	trans	88.3	70.5	170.6	-54.3	159.5	0	0	0	117.8
31	T	39.7	Very low	44.8	Very low	130 Å²	130	130.3 Å²	130.3	80%	0.798	71%	0.708	S	S	*	*			trans	-171.5	79.3	134.1	48.2	0	0	0	0	109.4
32	K	44.2	Very low	47.1	Very low	191 Å²	191	132.5 Å²	132.5	83%	0.83	71%	0.707	S	S	*	*			trans	-122.9	8.8	174.2	-96	-170.8	179.7	179.5	0	115
33	T	48.6	Very low	49.6	Very low	125 Å²	125	133.2 Å²	133.2	77%	0.767	70%	0.7	S	S	*	*	S	Bend	trans	-92.6	-23	-178.2	46.2	0	0	0	0	114.6
34	S	52.5	Low	52.1	Low	84 Å²	84	127.4 Å²	127.4	59%	0.587	68%	0.68	S	S	*	*	H	α-helix	trans	-84.9	-25.2	-175.2	63.2	0	0	0	0	115.6
35	S	53.9	Low	54.8	Low	80 Å²	80	126.9 Å²	126.9	56%	0.559	67%	0.673	S	S	*	*	H	α-helix	trans	-76.3	-32.1	-178.8	57	0	0	0	0	112.9	C39	S35-C39 WeakPolarHBondContact O-CB 3.28Å; S35-C39 PolarHBondContact O-N 3.24Å
36	G	53.6	Low	57.4	Low	45 Å²	45	121.2 Å²	121.2	46%	0.464	65%	0.652	S	S	.	*	H	α-helix	trans	-65.1	-41	177.5	0	0	0	0	0	113.1	C39 S40	G36-C39 PolarHBondContact O-N 2.85Å; G36-S40 WeakPolarHBondContact O-CB 3.43Å; G36-S40 PolarHBondContact O-N 3.29Å
37	E	55.4	Low	60.2	Low	138 Å²	138	116.1 Å²	116.1	65%	0.645	64%	0.637	S	S	*	*	H	α-helix	trans	-68.5	-43.4	179.5	-72.5	-174.6	165.5	0	0	112.5	C39 S40 Q41	E37-C39 VanDerWaalsContact C-N 3.33Å; E37-C39 PolarHBondContact O-N 2.98Å; E37-S40 PolarHBondContact O-N 3.25Å; E37-Q41 WeakPolarHBondContact O-CG 3.34Å; E37-Q41 PolarHBondContact O-N 3.47Å
38	R	57	Low	63	Low	195 Å²	195	111.6 Å²	111.6	74%	0.736	62%	0.62	S	S	*	*	H	α-helix	trans	-61.9	-40.6	175.9	-89.6	-174.5	175.6	-178	-0.2	112.4	Q41 Q42	R38-Q41 PolarHBondContact O-N 3.24Å; R38-Q42 PolarHBondContact O-N 2.88Å; R38-Q42 VanDerWaalsContact O-N 3.09Å
39	C	63.9	Low	65.8	Low	53 Å²	53	107.1 Å²	107.1	36%	0.358	60%	0.602	S	S	.	*	H	α-helix	trans	-65.5	-44.2	178	-161.8	0	0	0	0	111.1	S35 G36 E37 Q41 Q42 Y43	S35-C39 WeakPolarHBondContact O-CB 3.28Å; S35-C39 PolarHBondContact O-N 3.24Å; G36-C39 PolarHBondContact O-N 2.85Å; E37-C39 VanDerWaalsContact C-N 3.33Å; E37-C39 PolarHBondContact O-N 2.98Å; C39-Q41 VanDerWaalsContact C-N 3.34Å; C39-Q41 PolarHBondContact O-N 3.49Å; C39-Q42 PolarHBondContact O-N 3.29Å; C39-Y43 WeakPolarHBondContact O-CD2 3.46Å; C39-Y43 PolarHBondContact O-N 3.17Å; C39-Y43 VanDerWaalsContact O-N 3.11Å; C39-Y43 WeakPolarHBondContact SG-CE2 3.34Å
40	S	71.3	Confident	68.6	Low	79 Å²	79	108.2 Å²	108.2	55%	0.552	60%	0.599	S	S	*	*	H	α-helix	trans	-60.1	-40.6	174.5	-176.3	0	0	0	0	112.7	G36 E37 Y43 S44	G36-S40 WeakPolarHBondContact O-CB 3.43Å; G36-S40 PolarHBondContact O-N 3.29Å; E37-S40 PolarHBondContact O-N 3.25Å; S40-Y43 PolarHBondContact O-N 2.67Å; S40-S44 WeakPolarHBondContact O-CB 3.21Å; S40-S44 PolarHBondContact O-N 2.8Å; S40-S44 PolarHBondContact O-OG 3.27Å
41	Q	75.7	Confident	71.3	Confident	126 Å²	126	105.8 Å²	105.8	59%	0.589	59%	0.586	S	S	*	*	H	α-helix	trans	-66.1	-37.7	176.4	-74.1	177.1	2.2	0	0	113.3	E37 R38 C39 S44 L45	E37-Q41 WeakPolarHBondContact O-CG 3.34Å; E37-Q41 PolarHBondContact O-N 3.47Å; R38-Q41 PolarHBondContact O-N 3.24Å; C39-Q41 VanDerWaalsContact C-N 3.34Å; C39-Q41 PolarHBondContact O-N 3.49Å; Q41-S44 WeakPolarHBondContact CA-OG 3.3Å; Q41-S44 PolarHBondContact O-OG 2.96Å; Q41-L45 WeakPolarHBondContact O-CB 3.47Å; Q41-L45 PolarHBondContact O-N 2.88Å
42	Q	79.4	Confident	73.8	Confident	145 Å²	145	104.1 Å²	104.1	68%	0.678	57%	0.569	S	S	*	*	H	α-helix	trans	-67.7	-43.4	176.5	-76.1	179.1	-23.3	0	0	111.9	R38 C39 L45 G46	R38-Q42 PolarHBondContact O-N 2.88Å; R38-Q42 VanDerWaalsContact O-N 3.09Å; C39-Q42 PolarHBondContact O-N 3.29Å; Q42-L45 PolarHBondContact O-N 3.36Å; Q42-G46 PolarHBondContact O-N 3.49Å
43	Y	84.6	Confident	76.1	Confident	171 Å²	171	101 Å²	101	67%	0.671	56%	0.556	S	S	*	*	H	α-helix	trans	-65.1	-39.7	175.6	-72.9	-60.8	0	0	0	112.3	C39 S40 G46 A47	C39-Y43 WeakPolarHBondContact O-CD2 3.46Å; C39-Y43 PolarHBondContact O-N 3.17Å; C39-Y43 VanDerWaalsContact O-N 3.11Å; C39-Y43 WeakPolarHBondContact SG-CE2 3.34Å; S40-Y43 PolarHBondContact O-N 2.67Å; Y43-G46 PolarHBondContact O-N 2.89Å; Y43-A47 VanDerWaalsContact O-CB 3.31Å; Y43-A47 WeakPolarHBondContact O-CB 3.25Å; Y43-A47 PolarHBondContact O-N 3.2Å
44	S	85.2	Confident	78.2	Confident	70 Å²	70	102.5 Å²	102.5	49%	0.49	55%	0.547	S	S	.	.	H	α-helix	trans	-65.9	-40.1	177.9	71.8	0	0	0	0	112.1	S40 Q41 A48	S40-S44 WeakPolarHBondContact O-CB 3.21Å; S40-S44 PolarHBondContact O-N 2.8Å; S40-S44 PolarHBondContact O-OG 3.27Å; Q41-S44 WeakPolarHBondContact CA-OG 3.3Å; Q41-S44 PolarHBondContact O-OG 2.96Å; S44-A48 WeakPolarHBondContact O-CB 3.49Å; S44-A48 PolarHBondContact O-N 3.18Å
45	L	87.8	Confident	80	Confident	111 Å²	111	104.2 Å²	104.2	58%	0.581	54%	0.542	S	S	*	.	H	α-helix	trans	-65.7	-45.4	174.4	-175.9	64.4	0	0	0	111.9	Q41 Q42 A47 A48 L49	Q41-L45 WeakPolarHBondContact O-CB 3.47Å; Q41-L45 PolarHBondContact O-N 2.88Å; Q42-L45 PolarHBondContact O-N 3.36Å; L45-A47 VanDerWaalsContact C-N 3.35Å; L45-A47 PolarHBondContact O-N 3.35Å; L45-A48 PolarHBondContact O-N 3.4Å; L45-L49 HydrophobicContact CG-CD1 4.46Å; L45-L49 WeakPolarHBondContact O-CG 3.34Å; L45-L49 PolarHBondContact O-N 3.35Å
46	G	89.3	Confident	81.8	Confident	41 Å²	41	108.4 Å²	108.4	42%	0.423	55%	0.545	S	S	.	.	H	α-helix	trans	-59.5	-44.1	176.3	0	0	0	0	0	112.4	Q42 Y43 L49 L50	Q42-G46 PolarHBondContact O-N 3.49Å; Y43-G46 PolarHBondContact O-N 2.89Å; G46-L49 PolarHBondContact O-N 3.2Å; G46-L50 PolarHBondContact O-N 3.42Å; G46-L50 VanDerWaalsContact O-N 3.12Å
47	A	89.2	Confident	83.6	Confident	51 Å²	51	113.6 Å²	113.6	42%	0.421	55%	0.551	S	S	.	*	H	α-helix	trans	-62.5	-45.6	174.6	0	0	0	0	0	111.8	Y43 L45 L49 L50 I51	Y43-A47 VanDerWaalsContact O-CB 3.31Å; Y43-A47 WeakPolarHBondContact O-CB 3.25Å; Y43-A47 PolarHBondContact O-N 3.2Å; L45-A47 VanDerWaalsContact C-N 3.35Å; L45-A47 PolarHBondContact O-N 3.35Å; A47-L49 PolarHBondContact O-N 3.1Å; A47-L50 PolarHBondContact O-N 2.86Å; A47-I51 VanDerWaalsContact O-CG1 3.25Å; A47-I51 WeakPolarHBondContact O-CG1 3.39Å; A47-I51 PolarHBondContact O-N 3.45Å
48	A	90.1	Very high	85.2	Confident	47 Å²	47	109.8 Å²	109.8	39%	0.388	53%	0.531	S	S	.	.	H	α-helix	trans	-59.6	-43.7	178.3	0	0	0	0	0	112.3	S44 L45 L50 I51 Q52	S44-A48 WeakPolarHBondContact O-CB 3.49Å; S44-A48 PolarHBondContact O-N 3.18Å; L45-A48 PolarHBondContact O-N 3.4Å; A48-L50 PolarHBondContact O-N 3.06Å; A48-I51 PolarHBondContact O-N 2.71Å; A48-Q52 WeakPolarHBondContact O-CB 3.34Å; A48-Q52 VanDerWaalsContact O-CG 3.26Å; A48-Q52 WeakPolarHBondContact O-CG 3.47Å; A48-Q52 PolarHBondContact O-N 3.01Å
49	L	91.8	Very high	86.7	Confident	108 Å²	108	103.5 Å²	103.5	57%	0.565	51%	0.51	S	S	*	.	H	α-helix	trans	-63.3	-41	176.8	-72.3	173.5	0	0	0	112.3	L45 G46 A47 Q52 K53	L45-L49 HydrophobicContact CG-CD1 4.46Å; L45-L49 WeakPolarHBondContact O-CG 3.34Å; L45-L49 PolarHBondContact O-N 3.35Å; G46-L49 PolarHBondContact O-N 3.2Å; A47-L49 PolarHBondContact O-N 3.1Å; L49-Q52 PolarHBondContact O-N 3.17Å; L49-K53 WeakPolarHBondContact O-CB 3.48Å; L49-K53 PolarHBondContact O-N 3.27Å
50	L	92.2	Very high	87.9	Confident	126 Å²	126	103.6 Å²	103.6	66%	0.66	52%	0.515	S	S	*	.	H	α-helix	trans	-65.6	-43.5	178	-167.3	145.4	0	0	0	111.3	G46 A47 A48 K53 W54	G46-L50 PolarHBondContact O-N 3.42Å; G46-L50 VanDerWaalsContact O-N 3.12Å; A47-L50 PolarHBondContact O-N 2.86Å; A48-L50 PolarHBondContact O-N 3.06Å; L50-K53 PolarHBondContact O-N 2.9Å; L50-W54 WeakPolarHBondContact O-CB 3.48Å; L50-W54 PolarHBondContact O-N 3.39Å
51	I	91.3	Very high	88.6	Confident	105 Å²	105	108.1 Å²	108.1	54%	0.538	52%	0.52	S	S	.	.	H	α-helix	trans	-61.1	-46.2	175	-66.7	167.8	0	0	0	110.5	A47 A48 W54 Y55	A47-I51 VanDerWaalsContact O-CG1 3.25Å; A47-I51 WeakPolarHBondContact O-CG1 3.39Å; A47-I51 PolarHBondContact O-N 3.45Å; A48-I51 PolarHBondContact O-N 2.71Å; I51-W54 PolarHBondContact O-N 3.26Å; I51-Y55 VanDerWaalsContact O-CB 3.29Å; I51-Y55 WeakPolarHBondContact O-CB 3.33Å; I51-Y55 PolarHBondContact O-N 3.15Å
52	Q	92.1	Very high	89.1	Confident	96 Å²	96	102.9 Å²	102.9	45%	0.449	50%	0.496	S	S	.	.	H	α-helix	trans	-62.5	-44.3	177.9	-74.9	-67.8	-26.8	0	0	112.2	A48 L49 Y55 R56	A48-Q52 WeakPolarHBondContact O-CB 3.34Å; A48-Q52 VanDerWaalsContact O-CG 3.26Å; A48-Q52 WeakPolarHBondContact O-CG 3.47Å; A48-Q52 PolarHBondContact O-N 3.01Å; L49-Q52 PolarHBondContact O-N 3.17Å; Q52-Y55 PolarHBondContact O-N 2.81Å; Q52-R56 WeakPolarHBondContact O-CB 3.4Å; Q52-R56 VanDerWaalsContact O-CG 3.3Å; Q52-R56 WeakPolarHBondContact O-CG 3.43Å; Q52-R56 PolarHBondContact O-N 3.44Å
53	K	92.4	Very high	89.5	Confident	126 Å²	126	99.4 Å²	99.4	55%	0.548	48%	0.479	S	S	.	.	H	α-helix	trans	-62.7	-43.9	177.3	-174.4	176.3	-176.3	175.2	0	111.6	L49 L50 R57	L49-K53 WeakPolarHBondContact O-CB 3.48Å; L49-K53 PolarHBondContact O-N 3.27Å; L50-K53 PolarHBondContact O-N 2.9Å; K53-R57 WeakPolarHBondContact O-CB 3.44Å; K53-R57 WeakPolarHBondContact O-CG 3.34Å; K53-R57 PolarHBondContact O-N 3.13Å; K53-R57 VanDerWaalsContact O-N 3.13Å
54	W	92.8	Very high	89.6	Confident	156 Å²	156	95 Å²	95	59%	0.591	47%	0.47	S	S	*	.	H	α-helix	trans	-62.7	-47.5	175.1	176.6	91.1	0	0	0	111.4	L50 I51 R56 R57 Y58	L50-W54 WeakPolarHBondContact O-CB 3.48Å; L50-W54 PolarHBondContact O-N 3.39Å; I51-W54 PolarHBondContact O-N 3.26Å; W54-R56 PolarHBondContact O-N 3.45Å; W54-R57 PolarHBondContact O-N 3.05Å; W54-Y58 HydrophobicContact CH2-CG 4.4Å; W54-Y58 WeakPolarHBondContact O-CB 3.15Å; W54-Y58 PolarHBondContact O-N 3.2Å
55	Y	90.8	Very high	89.6	Confident	119 Å²	119	95 Å²	95	47%	0.467	46%	0.461	S	S	.	.	H	α-helix	trans	-61.5	-45.6	-179	-179.3	-102.2	0	0	0	111.9	I51 Q52 R57 Y58 Q59	I51-Y55 VanDerWaalsContact O-CB 3.29Å; I51-Y55 WeakPolarHBondContact O-CB 3.33Å; I51-Y55 PolarHBondContact O-N 3.15Å; Q52-Y55 PolarHBondContact O-N 2.81Å; Y55-R57 PolarHBondContact O-N 2.93Å; Y55-Y58 WeakPolarHBondContact O-CB 3.41Å; Y55-Y58 PolarHBondContact O-N 3.48Å; Y55-Q59 HydrophobicContact CD1-CG 4.14Å; Y55-Q59 HydrophobicContact CD2-CG 4.49Å; Y55-Q59 HydrophobicContact CE1-CG 3.72Å; Y55-Q59 HydrophobicContact CE2-CG 4.12Å; Y55-Q59 WeakPolarHBondContact O-CG 3.38Å; Y55-Q59 PolarHBondContact O-N 3.43Å
56	R	92.1	Very high	89.5	Confident	169 Å²	169	92.8 Å²	92.8	64%	0.638	45%	0.445	S	S	*	.	H	α-helix	trans	-61.1	-44	175.8	-70.1	175.3	-171.6	-169.4	2.2	112.2	Q52 W54 Y58 Q59 A60	Q52-R56 WeakPolarHBondContact O-CB 3.4Å; Q52-R56 VanDerWaalsContact O-CG 3.3Å; Q52-R56 WeakPolarHBondContact O-CG 3.43Å; Q52-R56 PolarHBondContact O-N 3.44Å; W54-R56 PolarHBondContact O-N 3.45Å; R56-Y58 VanDerWaalsContact C-N 3.31Å; R56-Y58 PolarHBondContact O-N 2.92Å; R56-Q59 PolarHBondContact O-N 3.41Å; R56-A60 WeakPolarHBondContact O-CB 3.17Å; R56-A60 PolarHBondContact O-N 3.01Å
57	R	92.2	Very high	89.4	Confident	153 Å²	153	98.3 Å²	98.3	58%	0.577	45%	0.453	S	S	*	.	H	α-helix	trans	-61.7	-40.2	174.9	-79	178.5	165.7	-176.7	-5.7	111.8	K53 W54 Y55 R61	K53-R57 WeakPolarHBondContact O-CB 3.44Å; K53-R57 WeakPolarHBondContact O-CG 3.34Å; K53-R57 PolarHBondContact O-N 3.13Å; K53-R57 VanDerWaalsContact O-N 3.13Å; W54-R57 PolarHBondContact O-N 3.05Å; Y55-R57 PolarHBondContact O-N 2.93Å; R57-R61 WeakPolarHBondContact O-CG 2.99Å; R57-R61 PolarHBondContact O-N 3.47Å; R57-R61 VanDerWaalsContact O-N 3.08Å
58	Y	87.7	Confident	89.2	Confident	59 Å²	59	96.7 Å²	96.7	23%	0.231	44%	0.438	C	S	.	.	H	α-helix	trans	-66.4	-47.1	177.7	174.9	-100.9	0	0	0	112	W54 Y55 R56 A60 R61 L62 R464	W54-Y58 HydrophobicContact CH2-CG 4.4Å; W54-Y58 WeakPolarHBondContact O-CB 3.15Å; W54-Y58 PolarHBondContact O-N 3.2Å; Y55-Y58 WeakPolarHBondContact O-CB 3.41Å; Y55-Y58 PolarHBondContact O-N 3.48Å; R56-Y58 VanDerWaalsContact C-N 3.31Å; R56-Y58 PolarHBondContact O-N 2.92Å; Y58-A60 PolarHBondContact O-N 3.38Å; Y58-R61 PolarHBondContact O-N 3.01Å; Y58-L62 HydrophobicContact CD1-CD1 4.11Å; Y58-L62 HydrophobicContact CE1-CD1 3.42Å; Y58-L62 VanDerWaalsContact CE1-CD1 3.42Å; Y58-L62 HydrophobicContact CE1-CG 4.22Å; Y58-L62 HydrophobicContact CE2-CD1 4.43Å; Y58-L62 HydrophobicContact CE2-CG 4.47Å; Y58-L62 PolarHBondContact O-N 2.88Å; Y58-R464 WeakPolarHBondContact OH-CB 3.42Å; Y58-R464 VanDerWaalsContact OH-CD 3.26Å; Y58-R464 WeakPolarHBondContact OH-CD 3.43Å; Y58-R464 WeakPolarHBondContact OH-CG 3.33Å
59	Q	88.5	Confident	89.1	Confident	62 Å²	62	94.6 Å²	94.6	29%	0.29	42%	0.421	S	S	.	.	H	α-helix	trans	-60.8	-43.2	175.1	-69.8	-57.5	-40.3	0	0	111.8	Y55 R56 R61 L62 E63	Y55-Q59 HydrophobicContact CD1-CG 4.14Å; Y55-Q59 HydrophobicContact CD2-CG 4.49Å; Y55-Q59 HydrophobicContact CE1-CG 3.72Å; Y55-Q59 HydrophobicContact CE2-CG 4.12Å; Y55-Q59 WeakPolarHBondContact O-CG 3.38Å; Y55-Q59 PolarHBondContact O-N 3.43Å; R56-Q59 PolarHBondContact O-N 3.41Å; Q59-R61 VanDerWaalsContact C-N 3.32Å; Q59-R61 PolarHBondContact O-N 3.4Å; Q59-L62 PolarHBondContact O-N 3.44Å; Q59-E63 WeakPolarHBondContact O-CB 3.31Å; Q59-E63 PolarHBondContact O-N 3.18Å
60	A	89.2	Confident	88.9	Confident	56 Å²	56	90.8 Å²	90.8	46%	0.463	40%	0.399	S	S	.	.	H	α-helix	trans	-59.8	-41.1	175.9	0	0	0	0	0	112.2	R56 Y58 E63 V64	R56-A60 WeakPolarHBondContact O-CB 3.17Å; R56-A60 PolarHBondContact O-N 3.01Å; Y58-A60 PolarHBondContact O-N 3.38Å; A60-E63 PolarHBondContact O-N 3.47Å; A60-V64 VanDerWaalsContact O-CG2 3.32Å; A60-V64 WeakPolarHBondContact O-CG2 3.23Å; A60-V64 PolarHBondContact O-N 2.87Å
61	R	87.1	Confident	88.8	Confident	174 Å²	174	88.3 Å²	88.3	66%	0.657	39%	0.385	S	S	*	.	H	α-helix	trans	-64.4	-41	175.5	-74.7	172	178.6	172.8	-2	112.5	R57 Y58 Q59 K65	R57-R61 WeakPolarHBondContact O-CG 2.99Å; R57-R61 PolarHBondContact O-N 3.47Å; R57-R61 VanDerWaalsContact O-N 3.08Å; Y58-R61 PolarHBondContact O-N 3.01Å; Q59-R61 VanDerWaalsContact C-N 3.32Å; Q59-R61 PolarHBondContact O-N 3.4Å; R61-K65 WeakPolarHBondContact O-CG 3.42Å; R61-K65 PolarHBondContact O-N 3.35Å; R61-K65 VanDerWaalsContact O-N 3.14Å
62	L	86	Confident	88.8	Confident	16 Å²	16	83.4 Å²	83.4	8%	0.084	36%	0.36	C	S	.	.	H	α-helix	trans	-64	-42.2	175.5	-73.8	178.9	0	0	0	111.5	Y58 Q59 K65 R66 R464 V467	Y58-L62 HydrophobicContact CD1-CD1 4.11Å; Y58-L62 HydrophobicContact CE1-CD1 3.42Å; Y58-L62 VanDerWaalsContact CE1-CD1 3.42Å; Y58-L62 HydrophobicContact CE1-CG 4.22Å; Y58-L62 HydrophobicContact CE2-CD1 4.43Å; Y58-L62 HydrophobicContact CE2-CG 4.47Å; Y58-L62 PolarHBondContact O-N 2.88Å; Q59-L62 PolarHBondContact O-N 3.44Å; L62-K65 WeakPolarHBondContact O-CB 3.46Å; L62-K65 PolarHBondContact O-N 3.08Å; L62-R66 WeakPolarHBondContact O-CB 3.27Å; L62-R66 PolarHBondContact O-N 2.89Å; L62-R464 HydrophobicContact CD2-CG 4.27Å; L62-V467 HydrophobicContact CD2-CB 4.5Å; L62-V467 HydrophobicContact CD2-CG1 4.31Å
63	E	87.6	Confident	88.6	Confident	72 Å²	72	79.3 Å²	79.3	34%	0.336	34%	0.34	S	S	.	.	H	α-helix	trans	-65.4	-41	178.5	-178.9	60.8	-170.6	0	0	112	Q59 A60 K65 R66 R67	Q59-E63 WeakPolarHBondContact O-CB 3.31Å; Q59-E63 PolarHBondContact O-N 3.18Å; A60-E63 PolarHBondContact O-N 3.47Å; E63-K65 VanDerWaalsContact C-N 3.34Å; E63-K65 PolarHBondContact O-N 2.97Å; E63-R66 PolarHBondContact O-N 2.8Å; E63-R67 WeakPolarHBondContact O-CG 3.43Å; E63-R67 PolarHBondContact O-N 3Å; E63-R67 IonicContact OE1-CZ 3.35Å; E63-R67 IonicContact OE1-NE 2.77Å; E63-R67 PolarHBondContact OE1-NE 3.38Å; E63-R67 IonicContact OE1-NH2 3.05Å; E63-R67 PolarHBondContact OE1-NH2 3.5Å
64	V	85.5	Confident	88.4	Confident	78 Å²	78	75.4 Å²	75.4	47%	0.473	32%	0.324	S	S	.	.	H	α-helix	trans	-59.4	-45.1	173.6	169.8	0	0	0	0	111	A60 R67 C68	A60-V64 VanDerWaalsContact O-CG2 3.32Å; A60-V64 WeakPolarHBondContact O-CG2 3.23Å; A60-V64 PolarHBondContact O-N 2.87Å; V64-R67 PolarHBondContact O-N 3.36Å; V64-C68 WeakPolarHBondContact O-CB 3.43Å; V64-C68 PolarHBondContact O-N 3.03Å
65	K	85.7	Confident	88.1	Confident	69 Å²	69	69.4 Å²	69.4	30%	0.3	31%	0.305	S	S	.	.	H	α-helix	trans	-61.2	-45.8	176.5	-73.5	169.7	162.2	-107.1	0	112.1	R61 L62 E63 R67 C68 A69 V467 E471	R61-K65 WeakPolarHBondContact O-CG 3.42Å; R61-K65 PolarHBondContact O-N 3.35Å; R61-K65 VanDerWaalsContact O-N 3.14Å; L62-K65 WeakPolarHBondContact O-CB 3.46Å; L62-K65 PolarHBondContact O-N 3.08Å; E63-K65 VanDerWaalsContact C-N 3.34Å; E63-K65 PolarHBondContact O-N 2.97Å; K65-R67 VanDerWaalsContact C-N 3.34Å; K65-R67 PolarHBondContact O-N 3.24Å; K65-C68 PolarHBondContact O-N 3.48Å; K65-A69 WeakPolarHBondContact O-CB 3.43Å; K65-A69 PolarHBondContact O-N 3.08Å; K65-V467 HydrophobicContact CB-CG1 3.82Å; K65-E471 WeakPolarHBondContact CD-OE2 3.23Å; K65-E471 WeakPolarHBondContact CE-OE2 3.2Å; K65-E471 IonicContact NZ-OE1 3.57Å; K65-E471 PolarHBondContact NZ-OE1 2.63Å; K65-E471 IonicContact NZ-OE2 3.24Å; K65-E471 PolarHBondContact NZ-OE2 3.22Å
66	R	85.2	Confident	87.8	Confident	66 Å²	66	65.5 Å²	65.5	25%	0.249	29%	0.292	C	S	.	.	H	α-helix	trans	-57.6	-47.3	177.1	-173.6	-175	-179.7	-169.4	0.8	110.8	L62 E63 A69 W70 P408 E409 V467	L62-R66 WeakPolarHBondContact O-CB 3.27Å; L62-R66 PolarHBondContact O-N 2.89Å; E63-R66 PolarHBondContact O-N 2.8Å; R66-A69 PolarHBondContact O-N 3.12Å; R66-W70 WeakPolarHBondContact O-CB 3.26Å; R66-W70 PolarHBondContact O-N 3.3Å; R66-P408 PolarHBondContact NH2-O 2.64Å; R66-E409 IonicContact CZ-OE1 2.78Å; R66-E409 IonicContact NH1-OE1 2.76Å; R66-E409 PolarHBondContact NH1-OE1 3.31Å; R66-E409 IonicContact NH2-OE1 3.69Å; R66-E409 PolarHBondContact NH2-OE1 2.92Å; R66-V467 HydrophobicContact CB-CG1 4.25Å; R66-V467 HydrophobicContact CB-CG2 4.39Å
67	R	86.8	Confident	87.4	Confident	156 Å²	156	58.5 Å²	58.5	59%	0.589	27%	0.266	S	S	*	.	H	α-helix	trans	-66.5	-41.4	178.5	-70.6	-179	-172	-158.7	-2.8	113	E63 V64 K65 W70 M71	E63-R67 WeakPolarHBondContact O-CG 3.43Å; E63-R67 PolarHBondContact O-N 3Å; E63-R67 IonicContact OE1-CZ 3.35Å; E63-R67 IonicContact OE1-NE 2.77Å; E63-R67 PolarHBondContact OE1-NE 3.38Å; E63-R67 IonicContact OE1-NH2 3.05Å; E63-R67 PolarHBondContact OE1-NH2 3.5Å; V64-R67 PolarHBondContact O-N 3.36Å; K65-R67 VanDerWaalsContact C-N 3.34Å; K65-R67 PolarHBondContact O-N 3.24Å; R67-W70 WeakPolarHBondContact O-CB 3.43Å; R67-W70 PolarHBondContact O-N 2.89Å; R67-M71 VanDerWaalsContact O-CG 3.27Å; R67-M71 WeakPolarHBondContact O-CG 3.35Å; R67-M71 PolarHBondContact O-N 3.48Å
68	C	86.8	Confident	86.8	Confident	17 Å²	17	52.2 Å²	52.2	12%	0.115	24%	0.243	C	C	.	.	H	α-helix	trans	-61.6	-45.7	175.2	-79.8	0	0	0	0	111.7	V64 K65 W70 M71 I72 T525 L526	V64-C68 WeakPolarHBondContact O-CB 3.43Å; V64-C68 PolarHBondContact O-N 3.03Å; K65-C68 PolarHBondContact O-N 3.48Å; C68-W70 VanDerWaalsContact C-N 3.31Å; C68-W70 PolarHBondContact O-N 3.31Å; C68-M71 PolarHBondContact O-N 3.32Å; C68-I72 WeakPolarHBondContact O-CG1 3.27Å; C68-I72 PolarHBondContact O-N 3.24Å; C68-I72 VanDerWaalsContact O-N 3.1Å; C68-T525 VanDerWaalsContact SG-CG2 3.56Å; C68-L526 HydrophobicContact CB-CD2 4.19Å
69	A	87.9	Confident	86.3	Confident	3 Å²	3	50.8 Å²	50.8	3%	0.025	24%	0.243	C	C	.	.	H	α-helix	trans	-58.5	-46.2	175.5	0	0	0	0	0	111.2	K65 R66 M71 I72 Y73 E471 A474	K65-A69 WeakPolarHBondContact O-CB 3.43Å; K65-A69 PolarHBondContact O-N 3.08Å; R66-A69 PolarHBondContact O-N 3.12Å; A69-M71 PolarHBondContact O-N 3.25Å; A69-I72 PolarHBondContact O-N 3.24Å; A69-Y73 WeakPolarHBondContact O-CD2 3.31Å; A69-Y73 PolarHBondContact O-N 2.77Å; A69-Y73 VanDerWaalsContact O-N 3.1Å; A69-E471 HydrophobicContact CB-CB 4.41Å; A69-A474 HydrophobicContact CB-CB 4.01Å
70	W	87.9	Confident	85.3	Confident	29 Å²	29	49 Å²	49	11%	0.11	24%	0.241	C	C	.	.	H	α-helix	trans	-57.3	-49.8	176.9	-172.3	-91.8	0	0	0	113.1	R66 R67 C68 I72 Y73 Q74 C406 K407 P408 Y429 N434	R66-W70 WeakPolarHBondContact O-CB 3.26Å; R66-W70 PolarHBondContact O-N 3.3Å; R67-W70 WeakPolarHBondContact O-CB 3.43Å; R67-W70 PolarHBondContact O-N 2.89Å; C68-W70 VanDerWaalsContact C-N 3.31Å; C68-W70 PolarHBondContact O-N 3.31Å; W70-I72 VanDerWaalsContact C-N 3.27Å; W70-I72 PolarHBondContact O-N 3.15Å; W70-Y73 PolarHBondContact O-N 3.12Å; W70-Q74 WeakPolarHBondContact O-CB 3.4Å; W70-Q74 PolarHBondContact O-N 3.21Å; W70-C406 HydrophobicContact CH2-CB 4.26Å; W70-C406 VanDerWaalsContact CH2-SG 3.55Å; W70-C406 WeakPolarHBondContact CZ2-O 3.4Å; W70-K407 VanDerWaalsContact CH2-C 3.45Å; W70-P408 HydrophobicContact CD2-CG 3.85Å; W70-P408 HydrophobicContact CE3-CB 4.43Å; W70-P408 HydrophobicContact CE3-CG 4.05Å; W70-P408 HydrophobicContact CH2-CB 4.43Å; W70-P408 HydrophobicContact CH2-CG 3.99Å; W70-P408 VanDerWaalsContact CZ2-CD 3.46Å; W70-P408 HydrophobicContact CZ2-CG 3.8Å; W70-P408 HydrophobicContact CZ3-CB 4.32Å; W70-P408 HydrophobicContact CZ3-CG 4.13Å; W70-Y429 HydrophobicContact CH2-CE2 4.33Å; W70-Y429 HydrophobicContact CZ3-CE2 4.18Å; W70-N434 HydrophobicContact CH2-CB 4.13Å; W70-N434 HydrophobicContact CZ3-CB 3.87Å
71	M	89.6	Confident	84.3	Confident	73 Å²	73	46.4 Å²	46.4	36%	0.36	22%	0.22	S	C	.	.	H	α-helix	trans	-60.4	-38.5	179.5	-71.6	176.6	78.6	0	0	111.8	R67 C68 A69 T75 L521 P522	R67-M71 VanDerWaalsContact O-CG 3.27Å; R67-M71 WeakPolarHBondContact O-CG 3.35Å; R67-M71 PolarHBondContact O-N 3.48Å; C68-M71 PolarHBondContact O-N 3.32Å; A69-M71 PolarHBondContact O-N 3.25Å; M71-T75 VanDerWaalsContact O-CB 3.28Å; M71-T75 WeakPolarHBondContact O-CB 3.48Å; M71-T75 PolarHBondContact O-N 3.15Å; M71-T75 PolarHBondContact O-OG1 2.82Å; M71-L521 HydrophobicContact CB-CD2 4.24Å; M71-L521 WeakPolarHBondContact O-CD2 3.25Å; M71-P522 HydrophobicContact CE-CG 3.89Å; M71-P522 HydrophobicContact SD-CG 3.89Å
72	I	90	Very high	83.3	Confident	2 Å²	2	41.6 Å²	41.6	1%	0.01	20%	0.204	C	C	.	.	H	α-helix	trans	-61.6	-53.9	175.7	-67.5	167	0	0	0	110.2	C68 A69 W70 Q74 T75 L76 A474 L475 L478 L521 L526	C68-I72 WeakPolarHBondContact O-CG1 3.27Å; C68-I72 PolarHBondContact O-N 3.24Å; C68-I72 VanDerWaalsContact O-N 3.1Å; A69-I72 PolarHBondContact O-N 3.24Å; W70-I72 VanDerWaalsContact C-N 3.27Å; W70-I72 PolarHBondContact O-N 3.15Å; I72-Q74 PolarHBondContact O-N 2.84Å; I72-T75 PolarHBondContact O-N 3.28Å; I72-L76 HydrophobicContact CG2-CD1 3.76Å; I72-L76 HydrophobicContact CG2-CG 4.3Å; I72-L76 WeakPolarHBondContact O-CB 3.32Å; I72-L76 WeakPolarHBondContact O-CG 3.37Å; I72-L76 PolarHBondContact O-N 2.83Å; I72-A474 HydrophobicContact CB-CB 4.06Å; I72-A474 HydrophobicContact CD1-CB 4.14Å; I72-A474 HydrophobicContact CG2-CB 4.03Å; I72-A474 WeakPolarHBondContact CG2-O 3.14Å; I72-L475 HydrophobicContact CD1-CD2 4.13Å; I72-L478 HydrophobicContact CD1-CD2 4.01Å; I72-L478 HydrophobicContact CG1-CD2 4.16Å; I72-L478 HydrophobicContact CG2-CB 3.89Å; I72-L521 HydrophobicContact CG1-CD1 4.4Å; I72-L521 HydrophobicContact CG1-CD2 4.19Å; I72-L526 HydrophobicContact CD1-CD1 4.35Å; I72-L526 HydrophobicContact CD1-CD2 3.93Å; I72-L526 HydrophobicContact CG1-CD1 4.29Å
73	Y	89.5	Confident	82.2	Confident	10 Å²	10	43.1 Å²	43.1	4%	0.039	21%	0.213	C	C	.	.	H	α-helix	trans	-57.2	-49.6	-179.1	-73.4	-53.8	0	0	0	112.3	A69 W70 T75 L76 E77 Y429 T430 A470 S473 A474 D477	A69-Y73 WeakPolarHBondContact O-CD2 3.31Å; A69-Y73 PolarHBondContact O-N 2.77Å; A69-Y73 VanDerWaalsContact O-N 3.1Å; W70-Y73 PolarHBondContact O-N 3.12Å; Y73-T75 VanDerWaalsContact C-N 3.34Å; Y73-T75 PolarHBondContact O-N 2.99Å; Y73-L76 PolarHBondContact O-N 2.92Å; Y73-E77 WeakPolarHBondContact O-CB 3.39Å; Y73-E77 PolarHBondContact O-N 3.04Å; Y73-Y429 AromaticContact CD1-CD1 3.96Å; Y73-Y429 HydrophobicContact CD1-CD1 3.96Å; Y73-Y429 HydrophobicContact CD1-CD2 4.36Å; Y73-Y429 AromaticContact CD1-CG 3.75Å; Y73-Y429 HydrophobicContact CD1-CG 3.75Å; Y73-Y429 AromaticContact CD2-CD2 3.84Å; Y73-Y429 HydrophobicContact CD2-CD2 3.84Å; Y73-Y429 AromaticContact CD2-CG 3.99Å; Y73-Y429 HydrophobicContact CD2-CG 3.99Å; Y73-Y429 HydrophobicContact CE1-CG 4.33Å; Y73-Y429 HydrophobicContact CG-CD1 4.01Å; Y73-Y429 AromaticContact CG-CD2 3.7Å; Y73-Y429 HydrophobicContact CG-CD2 3.7Å; Y73-Y429 HydrophobicContact CG-CE2 4.23Å; Y73-Y429 AromaticContact CG-CG 3.56Å; Y73-Y429 HydrophobicContact CG-CG 3.56Å; Y73-T430 HydrophobicContact CE2-CG2 4.27Å; Y73-T430 WeakPolarHBondContact OH-CG2 3.31Å; Y73-A470 PolarHBondContact OH-O 2.87Å; Y73-S473 WeakPolarHBondContact OH-CB 3.31Å; Y73-S473 PolarHBondContact OH-OG 3.15Å; Y73-A474 HydrophobicContact CD1-CB 4.48Å; Y73-A474 HydrophobicContact CD2-CB 4.15Å; Y73-A474 HydrophobicContact CE1-CB 4.07Å; Y73-A474 HydrophobicContact CE2-CB 3.72Å; Y73-A474 PolarHBondContact OH-N 2.77Å; Y73-A474 VanDerWaalsContact OH-N 3.1Å; Y73-D477 WeakPolarHBondContact CE1-OD2 3.37Å
74	Q	87	Confident	81.1	Confident	45 Å²	45	39.8 Å²	39.8	21%	0.21	20%	0.197	C	C	.	.	H	α-helix	trans	-62.4	-41.2	-179.1	-174.5	173.7	19.7	0	0	112	W70 I72 Y78	W70-Q74 WeakPolarHBondContact O-CB 3.4Å; W70-Q74 PolarHBondContact O-N 3.21Å; I72-Q74 PolarHBondContact O-N 2.84Å; Q74-Y78 HydrophobicContact CG-CD2 3.83Å; Q74-Y78 HydrophobicContact CG-CE2 3.21Å; Q74-Y78 PolarHBondContact NE2-OH 2.8Å; Q74-Y78 VanDerWaalsContact O-CD2 3.23Å; Q74-Y78 WeakPolarHBondContact O-CD2 3.12Å; Q74-Y78 VanDerWaalsContact O-CG 3.26Å; Q74-Y78 PolarHBondContact O-N 3.11Å; Q74-Y78 VanDerWaalsContact O-N 3.08Å
75	T	87	Confident	79.9	Confident	29 Å²	29	37.2 Å²	37.2	18%	0.178	18%	0.184	C	C	.	.	H	α-helix	trans	-69.9	-39.8	179.8	-50.6	0	0	0	0	111.6	M71 I72 Y73 A79 L519 L521	M71-T75 VanDerWaalsContact O-CB 3.28Å; M71-T75 WeakPolarHBondContact O-CB 3.48Å; M71-T75 PolarHBondContact O-N 3.15Å; M71-T75 PolarHBondContact O-OG1 2.82Å; I72-T75 PolarHBondContact O-N 3.28Å; Y73-T75 VanDerWaalsContact C-N 3.34Å; Y73-T75 PolarHBondContact O-N 2.99Å; T75-A79 WeakPolarHBondContact O-CB 3.42Å; T75-A79 PolarHBondContact O-N 2.93Å; T75-L519 HydrophobicContact CG2-CB 3.91Å; T75-L519 HydrophobicContact CG2-CD2 3.81Å; T75-L519 HydrophobicContact CG2-CG 4.42Å; T75-L521 HydrophobicContact CG2-CD2 4.34Å; T75-L521 HydrophobicContact CG2-CG 4.32Å; T75-L521 WeakPolarHBondContact OG1-CD2 3.19Å
76	L	84.2	Confident	78.8	Confident	37 Å²	37	40.6 Å²	40.6	19%	0.194	20%	0.199	C	C	.	.	H	α-helix	trans	-66.8	-39.5	176.7	-70.3	177.2	0	0	0	112	I72 Y73 A79 G80 D477 K481 L519	I72-L76 HydrophobicContact CG2-CD1 3.76Å; I72-L76 HydrophobicContact CG2-CG 4.3Å; I72-L76 WeakPolarHBondContact O-CB 3.32Å; I72-L76 WeakPolarHBondContact O-CG 3.37Å; I72-L76 PolarHBondContact O-N 2.83Å; Y73-L76 PolarHBondContact O-N 2.92Å; L76-A79 PolarHBondContact O-N 2.68Å; L76-G80 PolarHBondContact O-N 3.02Å; L76-D477 HydrophobicContact CD1-CB 3.75Å; L76-K481 HydrophobicContact CD2-CB 4.23Å; L76-K481 HydrophobicContact CD2-CG 4.18Å; L76-L519 HydrophobicContact CD2-CD1 4Å; L76-L519 HydrophobicContact CD2-CD2 4.48Å
77	E	83.8	Confident	77.7	Confident	22 Å²	22	37.7 Å²	37.7	10%	0.103	19%	0.188	C	C	.	.	H	α-helix	trans	-61.2	-51.3	175.3	174.7	165.2	-130	0	0	111.7	Y73 A79 G80 E81 R237 Y428 Y429	Y73-E77 WeakPolarHBondContact O-CB 3.39Å; Y73-E77 PolarHBondContact O-N 3.04Å; E77-A79 VanDerWaalsContact C-N 3.32Å; E77-A79 PolarHBondContact O-N 3.07Å; E77-G80 WeakPolarHBondContact O-CA 3.4Å; E77-G80 PolarHBondContact O-N 2.91Å; E77-E81 WeakPolarHBondContact CG-OE1 3.3Å; E77-E81 PolarHBondContact O-N 3.22Å; E77-E81 VanDerWaalsContact O-N 3.09Å; E77-R237 IonicContact OE1-CZ 3.8Å; E77-R237 IonicContact OE1-NH1 3.76Å; E77-R237 PolarHBondContact OE1-NH1 3.1Å; E77-R237 IonicContact OE1-NH2 3.23Å; E77-R237 PolarHBondContact OE1-NH2 3.47Å; E77-Y428 WeakPolarHBondContact OE1-CE1 3.49Å; E77-Y428 PolarHBondContact OE1-OH 3.43Å; E77-Y429 HydrophobicContact CB-CE1 4.44Å; E77-Y429 WeakPolarHBondContact OE2-CE1 3.38Å; E77-Y429 PolarHBondContact OE2-OH 2.92Å
78	Y	80.3	Confident	76.5	Confident	21 Å²	21	30.5 Å²	30.5	8%	0.082	16%	0.161	C	C	.	.	H	α-helix	trans	-64.1	-35.5	179.2	-63.6	-28.6	0	0	0	113	Q74 G80 E81 Q82 R376	Q74-Y78 HydrophobicContact CG-CD2 3.83Å; Q74-Y78 HydrophobicContact CG-CE2 3.21Å; Q74-Y78 PolarHBondContact NE2-OH 2.8Å; Q74-Y78 VanDerWaalsContact O-CD2 3.23Å; Q74-Y78 WeakPolarHBondContact O-CD2 3.12Å; Q74-Y78 VanDerWaalsContact O-CG 3.26Å; Q74-Y78 PolarHBondContact O-N 3.11Å; Q74-Y78 VanDerWaalsContact O-N 3.08Å; Y78-G80 PolarHBondContact O-N 3.13Å; Y78-E81 PolarHBondContact O-N 3.13Å; Y78-E81 VanDerWaalsContact O-N 3.16Å; Y78-Q82 PolarHBondContact O-N 2.96Å; Y78-Q82 VanDerWaalsContact O-N 3.12Å; Y78-R376 HydrophobicContact CG-CB 4.35Å
79	A	75.8	Confident	75.4	Confident	29 Å²	29	33 Å²	33	24%	0.24	17%	0.173	C	C	.	.	H	α-helix	trans	-62.2	-27.8	172.7	0	0	0	0	0	112.6	T75 L76 E77 N83 L519	T75-A79 WeakPolarHBondContact O-CB 3.42Å; T75-A79 PolarHBondContact O-N 2.93Å; L76-A79 PolarHBondContact O-N 2.68Å; E77-A79 VanDerWaalsContact C-N 3.32Å; E77-A79 PolarHBondContact O-N 3.07Å; A79-N83 PolarHBondContact O-ND2 3.39Å; A79-L519 HydrophobicContact CB-CD2 4.02Å
80	G	68.6	Low	74.1	Confident	24 Å²	24	35.8 Å²	35.8	25%	0.247	19%	0.188	C	C	.	.	H	α-helix	trans	-75.1	-38.6	172.2	0	0	0	0	0	113.2	L76 E77 Y78 N83 Q274	L76-G80 PolarHBondContact O-N 3.02Å; E77-G80 WeakPolarHBondContact O-CA 3.4Å; E77-G80 PolarHBondContact O-N 2.91Å; Y78-G80 PolarHBondContact O-N 3.13Å; G80-N83 WeakPolarHBondContact O-CB 3.48Å; G80-N83 PolarHBondContact O-N 3.39Å; G80-Q274 PolarHBondContact O-NE2 3.35Å
81	E	68.9	Low	72.7	Confident	3 Å²	3	34.7 Å²	34.7	1%	0.014	18%	0.183	C	C	.	.	H	α-helix	trans	-73.9	-33.5	-175.6	-71.5	173.2	-178.2	0	0	114.1	E77 Y78 N83 H84 R237 Y275 R377	E77-E81 WeakPolarHBondContact CG-OE1 3.3Å; E77-E81 PolarHBondContact O-N 3.22Å; E77-E81 VanDerWaalsContact O-N 3.09Å; Y78-E81 PolarHBondContact O-N 3.13Å; Y78-E81 VanDerWaalsContact O-N 3.16Å; E81-N83 PolarHBondContact O-N 3.25Å; E81-H84 VanDerWaalsContact O-CB 3.32Å; E81-H84 WeakPolarHBondContact O-CB 3.43Å; E81-H84 PolarHBondContact O-CD2 3.13Å; E81-H84 PolarHBondContact O-N 3.29Å; E81-R237 IonicContact OE1-NH2 3.39Å; E81-R237 PolarHBondContact OE1-NH2 3.29Å; E81-Y275 VanDerWaalsContact CG-OH 3.28Å; E81-Y275 WeakPolarHBondContact CG-OH 3.31Å; E81-R377 IonicContact OE1-NH1 3.54Å; E81-R377 PolarHBondContact OE1-NH1 3.38Å; E81-R377 WeakPolarHBondContact OE2-CD 3.37Å; E81-R377 IonicContact OE2-CZ 3.33Å; E81-R377 IonicContact OE2-NE 3.82Å; E81-R377 PolarHBondContact OE2-NE 3.34Å; E81-R377 IonicContact OE2-NH1 2.99Å; E81-R377 PolarHBondContact OE2-NH1 3.22Å
82	Q	65	Low	71.1	Confident	72 Å²	72	33.2 Å²	33.2	34%	0.336	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-23.3	172.3	-73.1	-168.8	-22.9	0	0	113.3	Y78 H84 E375 R376	Y78-Q82 PolarHBondContact O-N 2.96Å; Y78-Q82 VanDerWaalsContact O-N 3.12Å; Q82-H84 VanDerWaalsContact C-N 3.28Å; Q82-H84 PolarHBondContact O-N 3.47Å; Q82-E375 VanDerWaalsContact CG-O 3.28Å; Q82-E375 WeakPolarHBondContact CG-O 3.46Å; Q82-E375 PolarHBondContact NE2-O 3.08Å; Q82-R376 WeakPolarHBondContact CG-O 3.48Å
83	N	63.9	Low	69.6	Low	49 Å²	49	36.5 Å²	36.5	26%	0.262	19%	0.193	S	C	.	.	H	α-helix	trans	-74.7	-16.2	178.4	-62.4	-35.9	0	0	0	112.7	A79 G80 E81 A85 K86 L87	A79-N83 PolarHBondContact O-ND2 3.39Å; G80-N83 WeakPolarHBondContact O-CB 3.48Å; G80-N83 PolarHBondContact O-N 3.39Å; E81-N83 PolarHBondContact O-N 3.25Å; N83-A85 PolarHBondContact O-N 3.3Å; N83-K86 PolarHBondContact O-N 3.19Å; N83-L87 HydrophobicContact CB-CD1 3.78Å; N83-L87 WeakPolarHBondContact O-CB 3.37Å; N83-L87 WeakPolarHBondContact O-CD1 3.39Å; N83-L87 WeakPolarHBondContact O-CG 3.09Å; N83-L87 PolarHBondContact O-N 2.96Å
84	H	63.5	Low	67.6	Low	2 Å²	2	36.6 Å²	36.6	1%	0.009	20%	0.195	C	C	.	.	H	α-helix	trans	-59.3	-49.3	-173.5	-67.5	175	0	0	0	113.2	E81 Q82 L87 Y88 Q274 Y275 W362	E81-H84 VanDerWaalsContact O-CB 3.32Å; E81-H84 WeakPolarHBondContact O-CB 3.43Å; E81-H84 PolarHBondContact O-CD2 3.13Å; E81-H84 PolarHBondContact O-N 3.29Å; Q82-H84 VanDerWaalsContact C-N 3.28Å; Q82-H84 PolarHBondContact O-N 3.47Å; H84-L87 PolarHBondContact O-N 3.04Å; H84-Y88 WeakPolarHBondContact O-CB 3.32Å; H84-Y88 PolarHBondContact O-N 3.26Å; H84-Q274 PolarHBondContact CD2-NE2 3.34Å; H84-Q274 PolarHBondContact CD2-OE1 3.31Å; H84-Y275 AromaticContact CE1-CE2 3.44Å; H84-Y275 VanDerWaalsContact CE1-CE2 3.44Å; H84-Y275 WeakPolarHBondContact CE1-CE2 3.48Å; H84-Y275 AromaticContact CE1-CZ 3.71Å; H84-Y275 PolarHBondContact CE1-OH 3.04Å; H84-Y275 AromaticContact NE2-CE2 3.3Å; H84-Y275 VanDerWaalsContact NE2-CE2 3.3Å; H84-Y275 WeakPolarHBondContact NE2-CE2 3.36Å; H84-Y275 AromaticContact NE2-CZ 3.4Å; H84-Y275 PolarHBondContact NE2-OH 3.39Å; H84-W362 AromaticContact ND1-CH2 3.32Å; H84-W362 VanDerWaalsContact ND1-CH2 3.32Å; H84-W362 WeakPolarHBondContact ND1-CH2 3.36Å; H84-W362 AromaticContact ND1-CZ3 3.46Å; H84-W362 WeakPolarHBondContact ND1-CZ3 2.94Å
85	A	60.8	Low	65.5	Low	24 Å²	24	36.8 Å²	36.8	20%	0.198	20%	0.197	C	C	.	.	H	α-helix	trans	-69.6	-36.6	179.8	0	0	0	0	0	111.8	N83 Y88 N89 L379	N83-A85 PolarHBondContact O-N 3.3Å; A85-Y88 PolarHBondContact O-N 3.48Å; A85-N89 PolarHBondContact O-N 3.43Å; A85-L379 HydrophobicContact CB-CD1 4.46Å
86	K	63.2	Low	63.5	Low	140 Å²	140	36.9 Å²	36.9	61%	0.609	20%	0.198	S	C	*	.	H	α-helix	trans	-65.8	-42.4	175	-67.5	177.6	-178.6	172.5	0	111.2	N83 N89 L90	N83-K86 PolarHBondContact O-N 3.19Å; K86-N89 PolarHBondContact O-N 3.19Å; K86-L90 WeakPolarHBondContact O-CB 3.4Å; K86-L90 PolarHBondContact O-N 2.95Å
87	L	61.9	Low	61.5	Low	5 Å²	5	41.3 Å²	41.3	3%	0.026	21%	0.213	C	C	.	.	H	α-helix	trans	-65.5	-42.8	174.5	-88.4	152.1	0	0	0	110.8	N83 H84 L90 F91 Q274 V572 I576	N83-L87 HydrophobicContact CB-CD1 3.78Å; N83-L87 WeakPolarHBondContact O-CB 3.37Å; N83-L87 WeakPolarHBondContact O-CD1 3.39Å; N83-L87 WeakPolarHBondContact O-CG 3.09Å; N83-L87 PolarHBondContact O-N 2.96Å; H84-L87 PolarHBondContact O-N 3.04Å; L87-L90 CarbonylContact O-C 3.55Å; L87-L90 WeakPolarHBondContact O-CB 3.44Å; L87-L90 PolarHBondContact O-N 3.02Å; L87-F91 HydrophobicContact CB-CD2 4.37Å; L87-F91 HydrophobicContact CB-CE2 3.86Å; L87-F91 HydrophobicContact CB-CZ 4.25Å; L87-F91 HydrophobicContact CD2-CE1 4.03Å; L87-F91 HydrophobicContact CD2-CE2 3.88Å; L87-F91 HydrophobicContact CD2-CZ 3.39Å; L87-F91 HydrophobicContact CG-CZ 4.46Å; L87-F91 WeakPolarHBondContact O-CB 3.16Å; L87-F91 WeakPolarHBondContact O-CD2 3.46Å; L87-F91 WeakPolarHBondContact O-CG 3.49Å; L87-F91 PolarHBondContact O-N 3.42Å; L87-Q274 HydrophobicContact CD1-CG 4.41Å; L87-V572 HydrophobicContact CD1-CG1 4.25Å; L87-V572 HydrophobicContact CD1-CG2 4.44Å; L87-V572 HydrophobicContact CD2-CG1 3.79Å; L87-V572 HydrophobicContact CG-CG1 4.16Å; L87-I576 HydrophobicContact CD2-CG1 4.09Å
88	Y	61	Low	59.2	Low	5 Å²	5	41.5 Å²	41.5	2%	0.02	22%	0.218	C	C	.	.	H	α-helix	trans	-59.5	-49.8	173.3	179	-87.6	0	0	0	111.2	H84 A85 L90 F91 H92 Y270 T339 L341 K342	H84-Y88 WeakPolarHBondContact O-CB 3.32Å; H84-Y88 PolarHBondContact O-N 3.26Å; A85-Y88 PolarHBondContact O-N 3.48Å; Y88-L90 VanDerWaalsContact C-N 3.28Å; Y88-L90 PolarHBondContact O-N 3.02Å; Y88-F91 CarbonylContact O-C 3.42Å; Y88-F91 WeakPolarHBondContact O-CA 3.34Å; Y88-F91 WeakPolarHBondContact O-CB 3.32Å; Y88-F91 PolarHBondContact O-N 3.11Å; Y88-H92 HydrophobicContact CD1-CB 4.14Å; Y88-H92 HydrophobicContact CE1-CB 3.52Å; Y88-H92 AromaticContact CE1-CG 3.93Å; Y88-H92 AromaticContact CZ-CD2 3.92Å; Y88-H92 WeakPolarHBondContact O-CB 3.47Å; Y88-H92 PolarHBondContact O-N 3.09Å; Y88-H92 PolarHBondContact OH-CD2 2.76Å; Y88-H92 VanDerWaalsContact OH-CD2 3.22Å; Y88-Y270 HydrophobicContact CD2-CD1 4.45Å; Y88-Y270 HydrophobicContact CD2-CD2 4.12Å; Y88-Y270 HydrophobicContact CD2-CE2 4.35Å; Y88-Y270 HydrophobicContact CD2-CG 4.16Å; Y88-Y270 HydrophobicContact CE2-CD2 4.12Å; Y88-Y270 AromaticContact CE2-CE2 3.94Å; Y88-Y270 HydrophobicContact CE2-CE2 3.94Å; Y88-T339 HydrophobicContact CE2-CG2 3.88Å; Y88-L341 HydrophobicContact CD2-CB 3.5Å; Y88-L341 HydrophobicContact CD2-CD1 4.41Å; Y88-L341 HydrophobicContact CE2-CB 4.25Å; Y88-L341 HydrophobicContact CG-CB 3.66Å; Y88-K342 HydrophobicContact CE1-CB 3.99Å; Y88-K342 HydrophobicContact CE1-CG 4.07Å; Y88-K342 HydrophobicContact CE2-CB 4.33Å; Y88-K342 VanDerWaalsContact CZ-CA 3.41Å; Y88-K342 WeakPolarHBondContact OH-CB 3.14Å; Y88-K342 WeakPolarHBondContact OH-CD 3.42Å; Y88-K342 WeakPolarHBondContact OH-CG 3.46Å
89	N	63.6	Low	57.1	Low	69 Å²	69	44 Å²	44	37%	0.369	24%	0.239	S	C	.	.	H	α-helix	trans	-59.2	-43.5	177.7	-72	-14.7	0	0	0	110.7	A85 K86 F91 H92 D93 P343	A85-N89 PolarHBondContact O-N 3.43Å; K86-N89 PolarHBondContact O-N 3.19Å; N89-F91 VanDerWaalsContact C-N 3.31Å; N89-F91 PolarHBondContact O-N 3.5Å; N89-H92 PolarHBondContact O-N 3.27Å; N89-D93 VanDerWaalsContact O-CB 3.24Å; N89-D93 WeakPolarHBondContact O-CB 3.26Å; N89-D93 PolarHBondContact O-N 3.09Å; N89-P343 WeakPolarHBondContact OD1-CG 3.21Å
90	L	61.3	Low	55.3	Low	62 Å²	62	48.4 Å²	48.4	33%	0.325	26%	0.259	S	S	.	.	H	α-helix	trans	-57.4	-43.1	172.6	-176.8	69.6	0	0	0	111.8	K86 L87 Y88 L94 I576	K86-L90 WeakPolarHBondContact O-CB 3.4Å; K86-L90 PolarHBondContact O-N 2.95Å; L87-L90 CarbonylContact O-C 3.55Å; L87-L90 WeakPolarHBondContact O-CB 3.44Å; L87-L90 PolarHBondContact O-N 3.02Å; Y88-L90 VanDerWaalsContact C-N 3.28Å; Y88-L90 PolarHBondContact O-N 3.02Å; L90-L94 HydrophobicContact CG-CD1 4.47Å; L90-L94 WeakPolarHBondContact O-CB 3.27Å; L90-L94 WeakPolarHBondContact O-CD1 3.44Å; L90-L94 WeakPolarHBondContact O-CG 3.42Å; L90-L94 PolarHBondContact O-N 3.38Å; L90-I576 HydrophobicContact CD2-CD1 3.55Å; L90-I576 HydrophobicContact CD2-CG1 3.75Å
91	F	58	Low	53.7	Low	5 Å²	5	49.9 Å²	49.9	2%	0.022	27%	0.274	C	S	.	.	H	α-helix	trans	-71.2	-38.1	177.8	-62.8	-32.9	0	0	0	113.5	L87 Y88 N89 L94 I95 Y270 G575 I576 A579	L87-F91 HydrophobicContact CB-CD2 4.37Å; L87-F91 HydrophobicContact CB-CE2 3.86Å; L87-F91 HydrophobicContact CB-CZ 4.25Å; L87-F91 HydrophobicContact CD2-CE1 4.03Å; L87-F91 HydrophobicContact CD2-CE2 3.88Å; L87-F91 HydrophobicContact CD2-CZ 3.39Å; L87-F91 HydrophobicContact CG-CZ 4.46Å; L87-F91 WeakPolarHBondContact O-CB 3.16Å; L87-F91 WeakPolarHBondContact O-CD2 3.46Å; L87-F91 WeakPolarHBondContact O-CG 3.49Å; L87-F91 PolarHBondContact O-N 3.42Å; Y88-F91 CarbonylContact O-C 3.42Å; Y88-F91 WeakPolarHBondContact O-CA 3.34Å; Y88-F91 WeakPolarHBondContact O-CB 3.32Å; Y88-F91 PolarHBondContact O-N 3.11Å; N89-F91 VanDerWaalsContact C-N 3.31Å; N89-F91 PolarHBondContact O-N 3.5Å; F91-L94 HydrophobicContact CD1-CD1 4.41Å; F91-L94 CarbonylContact O-C 3.52Å; F91-L94 WeakPolarHBondContact O-CB 3.36Å; F91-L94 PolarHBondContact O-N 2.98Å; F91-I95 WeakPolarHBondContact O-CB 3.49Å; F91-I95 WeakPolarHBondContact O-CD1 3.49Å; F91-I95 WeakPolarHBondContact O-CG1 3.33Å; F91-I95 PolarHBondContact O-N 3.46Å; F91-Y270 HydrophobicContact CB-CD1 4.23Å; F91-Y270 HydrophobicContact CB-CE1 3.99Å; F91-Y270 AromaticContact CD2-CD1 3.67Å; F91-Y270 HydrophobicContact CD2-CD1 3.67Å; F91-Y270 HydrophobicContact CD2-CE1 4.27Å; F91-Y270 HydrophobicContact CE2-CD1 4.45Å; F91-Y270 HydrophobicContact CG-CD1 4.26Å; F91-Y270 HydrophobicContact CG-CE1 4.42Å; F91-G575 WeakPolarHBondContact CZ-O 3.25Å; F91-I576 HydrophobicContact CE1-CB 4.3Å; F91-I576 HydrophobicContact CE1-CG1 3.9Å; F91-I576 HydrophobicContact CZ-CG1 4.41Å; F91-A579 HydrophobicContact CD1-CB 3.31Å; F91-A579 HydrophobicContact CD2-CB 4.24Å; F91-A579 HydrophobicContact CE1-CB 3.23Å; F91-A579 HydrophobicContact CE2-CB 4.11Å; F91-A579 HydrophobicContact CG-CB 3.86Å; F91-A579 HydrophobicContact CZ-CB 3.61Å
92	H	56.4	Low	52.1	Low	43 Å²	43	58.2 Å²	58.2	20%	0.199	31%	0.313	C	S	.	.	H	α-helix	trans	-71	-44.8	178.6	-178.5	-86.6	0	0	0	110	Y88 N89 L94 I95 S96	Y88-H92 HydrophobicContact CD1-CB 4.14Å; Y88-H92 HydrophobicContact CE1-CB 3.52Å; Y88-H92 AromaticContact CE1-CG 3.93Å; Y88-H92 AromaticContact CZ-CD2 3.92Å; Y88-H92 WeakPolarHBondContact O-CB 3.47Å; Y88-H92 PolarHBondContact O-N 3.09Å; Y88-H92 PolarHBondContact OH-CD2 2.76Å; Y88-H92 VanDerWaalsContact OH-CD2 3.22Å; N89-H92 PolarHBondContact O-N 3.27Å; H92-L94 PolarHBondContact O-N 3.42Å; H92-I95 CarbonylContact O-C 3.39Å; H92-I95 WeakPolarHBondContact O-CA 3.41Å; H92-I95 PolarHBondContact O-N 3.47Å; H92-S96 WeakPolarHBondContact O-CB 3.41Å; H92-S96 PolarHBondContact O-N 3.42Å; H92-S96 PolarHBondContact O-OG 3.26Å; H92-S96 VanDerWaalsContact O-OG 3.06Å
93	D	57.2	Low	50.3	Low	71 Å²	71	60 Å²	60	38%	0.38	33%	0.329	S	S	.	.	H	α-helix	trans	-58.3	-39.9	172.5	-68.1	-16.7	0	0	0	110.5	N89 Y97	N89-D93 VanDerWaalsContact O-CB 3.24Å; N89-D93 WeakPolarHBondContact O-CB 3.26Å; N89-D93 PolarHBondContact O-N 3.09Å; D93-Y97 WeakPolarHBondContact O-CD2 3.32Å
94	L	49.1	Very low	48.7	Very low	12 Å²	12	64.1 Å²	64.1	6%	0.063	35%	0.349	C	S	.	.	H	α-helix	trans	-62.2	-40.7	168.9	-74	167.5	0	0	0	111.5	L90 F91 H92 M580 A596 R599 L600	L90-L94 HydrophobicContact CG-CD1 4.47Å; L90-L94 WeakPolarHBondContact O-CB 3.27Å; L90-L94 WeakPolarHBondContact O-CD1 3.44Å; L90-L94 WeakPolarHBondContact O-CG 3.42Å; L90-L94 PolarHBondContact O-N 3.38Å; F91-L94 HydrophobicContact CD1-CD1 4.41Å; F91-L94 CarbonylContact O-C 3.52Å; F91-L94 WeakPolarHBondContact O-CB 3.36Å; F91-L94 PolarHBondContact O-N 2.98Å; H92-L94 PolarHBondContact O-N 3.42Å; L94-M580 HydrophobicContact CD1-CE 4.39Å; L94-A596 WeakPolarHBondContact CD2-O 3.37Å; L94-R599 HydrophobicContact CD2-CB 4.18Å; L94-R599 WeakPolarHBondContact O-CB 3.14Å; L94-R599 WeakPolarHBondContact O-CD 3.32Å; L94-R599 WeakPolarHBondContact O-CG 3.41Å; L94-L600 HydrophobicContact CD2-CD2 3.46Å; L94-L600 VanDerWaalsContact CD2-CD2 3.46Å; L94-L600 HydrophobicContact CD2-CG 3.63Å; L94-L600 HydrophobicContact CG-CD2 4.14Å
95	I	43.3	Very low	47.1	Very low	49 Å²	49	71 Å²	71	25%	0.251	39%	0.386	S	S	.	.	H	α-helix	trans	-84.4	-43.8	-172.9	-67.6	162.8	0	0	0	113.5	F91 H92 Y97 A98 Y270	F91-I95 WeakPolarHBondContact O-CB 3.49Å; F91-I95 WeakPolarHBondContact O-CD1 3.49Å; F91-I95 WeakPolarHBondContact O-CG1 3.33Å; F91-I95 PolarHBondContact O-N 3.46Å; H92-I95 CarbonylContact O-C 3.39Å; H92-I95 WeakPolarHBondContact O-CA 3.41Å; H92-I95 PolarHBondContact O-N 3.47Å; I95-Y97 PolarHBondContact O-N 3.44Å; I95-A98 WeakPolarHBondContact O-CB 2.69Å; I95-A98 PolarHBondContact O-N 2.9Å; I95-Y270 HydrophobicContact CD1-CE1 4.23Å; I95-Y270 WeakPolarHBondContact CD1-OH 3.44Å
96	S	44.2	Very low	45.7	Very low	30 Å²	30	76.8 Å²	76.8	21%	0.21	42%	0.419	C	S	.	.	H	α-helix	trans	-72.9	-28.3	-168.9	63.8	0	0	0	0	114.3	H92 A98 S99	H92-S96 WeakPolarHBondContact O-CB 3.41Å; H92-S96 PolarHBondContact O-N 3.42Å; H92-S96 PolarHBondContact O-OG 3.26Å; H92-S96 VanDerWaalsContact O-OG 3.06Å; S96-A98 PolarHBondContact O-N 2.94Å; S96-S99 PolarHBondContact O-OG 2.94Å
97	Y	41.9	Very low	44.1	Very low	130 Å²	130	77.3 Å²	77.3	51%	0.51	43%	0.429	S	S	.	.	H	α-helix	trans	-72.7	-17.6	176.3	-83.2	-82	0	0	0	112.9	D93 I95	D93-Y97 WeakPolarHBondContact O-CD2 3.32Å; I95-Y97 PolarHBondContact O-N 3.44Å
98	A	35.7	Very low	42.5	Very low	26 Å²	26	83.6 Å²	83.6	22%	0.215	46%	0.462	C	S	.	.	H	α-helix	trans	-70.3	-43	175.7	0	0	0	0	0	112.6	I95 S96 N100 G101 R599	I95-A98 WeakPolarHBondContact O-CB 2.69Å; I95-A98 PolarHBondContact O-N 2.9Å; S96-A98 PolarHBondContact O-N 2.94Å; A98-N100 PolarHBondContact O-N 3.35Å; A98-G101 PolarHBondContact O-N 2.91Å; A98-R599 HydrophobicContact CB-CG 3.96Å
99	S	36.4	Very low	41	Very low	75 Å²	75	90.4 Å²	90.4	52%	0.524	50%	0.499	S	S	.	.	H	α-helix	trans	-70.6	-30.6	-175.8	14	0	0	0	0	112.9	S96 G101	S96-S99 PolarHBondContact O-OG 2.94Å; S99-G101 VanDerWaalsContact C-N 3.28Å; S99-G101 PolarHBondContact O-N 3.39Å
100	N	36.9	Very low	39.3	Very low	121 Å²	121	92.6 Å²	92.6	65%	0.647	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-13.3	176.1	-69.3	-14.9	0	0	0	113.2	A98	A98-N100 PolarHBondContact O-N 3.35Å
101	G	35.2	Very low	37.9	Very low	54 Å²	54	94.6 Å²	94.6	56%	0.557	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-23	177.1	0	0	0	0	0	114.3	A98 S99	A98-G101 PolarHBondContact O-N 2.91Å; S99-G101 VanDerWaalsContact C-N 3.28Å; S99-G101 PolarHBondContact O-N 3.39Å
102	E	35.5	Very low	36.6	Very low	178 Å²	178	99.2 Å²	99.2	83%	0.832	58%	0.578	S	S	*	*	S	Bend	trans	-92.7	-2.5	-178.5	-72.2	-172.2	166.5	0	0	113.9	I104	E102-I104 PolarHBondContact O-N 3.41Å
103	T	28.3	Very low	35.8	Very low	110 Å²	110	103 Å²	103	68%	0.675	61%	0.606	S	S	*	*			trans	-97.9	56.8	175.3	16.5	0	0	0	0	112.2
104	I	29.5	Very low	34.9	Very low	135 Å²	135	107 Å²	107	69%	0.692	63%	0.628	S	S	*	*	S	Bend	trans	-116.5	112.1	156.7	-57.4	179.1	0	0	0	106.9	E102	E102-I104 PolarHBondContact O-N 3.41Å
105	N	29.8	Very low	34.4	Very low	148 Å²	148	108.5 Å²	108.5	79%	0.791	64%	0.636	S	S	*	*	S	Bend	trans	84.3	86.1	177.5	-54	-32.9	0	0	0	116.4
106	T	30.9	Very low	34.6	Very low	145 Å²	145	109.2 Å²	109.2	89%	0.89	64%	0.644	S	S	*	*				-157.3	118.5	129.9	19.9	0	0	0	0	109.2
107	D	29.4	Very low	34.7	Very low	150 Å²	150	108 Å²	108	80%	0.802	64%	0.635	S	S	*	*			trans	-63.6	148.4	177.2	-76.8	-46.7	0	0	0	113.1
108	N	29.2	Very low	35	Very low	137 Å²	137	106 Å²	106	73%	0.733	63%	0.632	S	S	*	*			trans	74	120.1	148.2	-64	-31.7	0	0	0	121
109	N	29	Very low	36.1	Very low	149 Å²	149	106.1 Å²	106.1	80%	0.797	63%	0.629	S	S	*	*			trans	102.1	125.9	140.7	-64.1	-28.2	0	0	0	120.4
110	S	28.5	Very low	37	Very low	115 Å²	115	110.9 Å²	110.9	80%	0.804	64%	0.643	S	S	*	*			trans	70.3	92	152.9	51.8	0	0	0	0	120.1
111	A	31.6	Very low	37.9	Very low	103 Å²	103	108 Å²	108	85%	0.851	63%	0.631	S	S	*	*				43.8	106	125.4	0	0	0	0	0	119.9
112	S	31.4	Very low	39.1	Very low	103 Å²	103	107.8 Å²	107.8	72%	0.72	62%	0.617	S	S	*	*				-164.6	141.7	108.1	-146.5	0	0	0	0	108.4	N114	S112-N114 PolarHBondContact O-N 2.95Å
113	P	38	Very low	40.5	Very low	121 Å²	121	103.9 Å²	103.9	79%	0.786	60%	0.601	S	S	*	*			trans	-71.4	109	-178.9	28.9	-29.8	0	0	0	108.3	N115	P113-N115 PolarHBondContact O-N 3.4Å
114	N	38.4	Very low	42.3	Very low	157 Å²	157	103.7 Å²	103.7	84%	0.84	60%	0.596	S	S	*	*			trans	-55.5	107	169.5	-76.2	-15.7	0	0	0	107.5	S112 P116	S112-N114 PolarHBondContact O-N 2.95Å; N114-P116 VanDerWaalsContact O-CD 3.22Å; N114-P116 WeakPolarHBondContact O-CD 3.26Å; N114-P116 VanDerWaalsContact O-N 3.12Å
115	N	39.4	Very low	44.4	Very low	43 Å²	43	102.1 Å²	102.1	23%	0.23	59%	0.589	C	S	.	*			trans	-64	112.6	173.3	-175.2	-8.6	0	0	0	106.7	P113 D117 I118 N350	P113-N115 PolarHBondContact O-N 3.4Å; N115-D117 PolarHBondContact O-N 3.12Å; N115-D117 PolarHBondContact OD1-N 3.49Å; N115-I118 HydrophobicContact CB-CD1 3.99Å; N115-I118 HydrophobicContact CB-CG1 4.15Å; N115-I118 PolarHBondContact O-N 3.23Å; N115-N350 PolarHBondContact ND2-ND2 3.45Å
116	P	47.8	Very low	47	Very low	64 Å²	64	95.3 Å²	95.3	42%	0.416	55%	0.553	S	S	.	*	T	Hydrogen-bonded Turn	trans	-62.5	-13.5	-171.4	24.6	-33.8	0	0	0	113.1	N114 K342 I348	N114-P116 VanDerWaalsContact O-CD 3.22Å; N114-P116 WeakPolarHBondContact O-CD 3.26Å; N114-P116 VanDerWaalsContact O-N 3.12Å; P116-K342 PolarHBondContact O-NZ 3.23Å; P116-I348 HydrophobicContact CG-CD1 4.37Å
117	D	45.4	Very low	49.7	Very low	4 Å²	4	89.6 Å²	89.6	2%	0.021	52%	0.515	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-12.4	177	-85.2	-40	0	0	0	115.1	N115 D119 K354	N115-D117 PolarHBondContact O-N 3.12Å; N115-D117 PolarHBondContact OD1-N 3.49Å; D117-D119 PolarHBondContact O-N 3.17Å; D117-K354 IonicContact OD1-NZ 3.97Å; D117-K354 PolarHBondContact OD1-NZ 3.44Å
118	I	49.3	Very low	52.3	Low	87 Å²	87	86.4 Å²	86.4	45%	0.446	50%	0.498	S	S	.	.	S	Bend	trans	-89.3	108.2	-179.9	-56.9	176.6	0	0	0	108.2	N115 E120	N115-I118 HydrophobicContact CB-CD1 3.99Å; N115-I118 HydrophobicContact CB-CG1 4.15Å; N115-I118 PolarHBondContact O-N 3.23Å; I118-E120 PolarHBondContact O-N 2.83Å
119	D	57.4	Low	54.9	Low	30 Å²	30	80.5 Å²	80.5	16%	0.16	47%	0.469	C	S	.	.	P	Polyproline II helix	trans	-63.9	126.6	172.6	-68.2	-41.3	0	0	0	108.8	D117 S336 L338 T339	D117-D119 PolarHBondContact O-N 3.17Å; D119-S336 PolarHBondContact N-O 3.23Å; D119-L338 HydrophobicContact CB-CB 3.65Å; D119-L338 WeakPolarHBondContact OD2-CA 3.39Å; D119-L338 VanDerWaalsContact OD2-CB 3.28Å; D119-L338 WeakPolarHBondContact OD2-CB 3.44Å; D119-L338 PolarHBondContact OD2-N 3.07Å; D119-T339 PolarHBondContact OD2-N 3.04Å; D119-T339 VanDerWaalsContact OD2-N 3.09Å
120	E	55.6	Low	57.5	Low	175 Å²	175	79.9 Å²	79.9	82%	0.818	47%	0.466	S	S	*	.	P	Polyproline II helix	trans	-58.8	126.9	172.9	-164.4	173.4	-163	0	0	108.2	I118 L122	I118-E120 PolarHBondContact O-N 2.83Å; E120-L122 PolarHBondContact O-N 3.32Å
121	P	55.8	Low	60.1	Low	59 Å²	59	76.9 Å²	76.9	38%	0.383	44%	0.437	S	S	.	.	P	Polyproline II helix	trans	-57.7	131.7	-179.8	19.7	-29.2	0	0	0	109.6	D123 L124	P121-D123 PolarHBondContact O-N 3.13Å; P121-L124 HydrophobicContact CB-CD2 4.5Å
122	L	61.3	Low	62.5	Low	50 Å²	50	72.7 Å²	72.7	26%	0.262	40%	0.4	S	S	.	.	S	Bend	trans	-58.2	117.1	172.1	-64.3	157.9	0	0	0	105.9	E120 L124 A297 E298 L338	E120-L122 PolarHBondContact O-N 3.32Å; L122-L124 PolarHBondContact O-N 3.47Å; L122-A297 HydrophobicContact CD1-CB 4.3Å; L122-E298 WeakPolarHBondContact CA-OE1 3.33Å; L122-E298 HydrophobicContact CB-CG 3.79Å; L122-E298 WeakPolarHBondContact CB-OE1 3.47Å; L122-E298 HydrophobicContact CD1-CG 3.85Å; L122-E298 WeakPolarHBondContact CD1-OE1 3.21Å; L122-E298 HydrophobicContact CG-CG 4.33Å; L122-E298 WeakPolarHBondContact CG-OE1 3.41Å; L122-E298 PolarHBondContact N-OE1 3.06Å; L122-L338 HydrophobicContact CD1-CD1 3.87Å; L122-L338 HydrophobicContact CD1-CD2 3.99Å; L122-L338 HydrophobicContact CG-CD2 4.09Å
123	D	65.1	Low	64.7	Low	96 Å²	96	70.1 Å²	70.1	51%	0.513	38%	0.381	S	S	.	.			trans	-4.3	104.2	-177.1	-175.2	2.6	0	0	0	114.1	P121 N125 I126	P121-D123 PolarHBondContact O-N 3.13Å; D123-N125 PolarHBondContact O-N 3.44Å; D123-N125 WeakPolarHBondContact OD1-CB 3.26Å; D123-N125 PolarHBondContact OD1-N 3.46Å; D123-N125 PolarHBondContact OD1-ND2 2.85Å; D123-N125 PolarHBondContact OD2-ND2 2.94Å; D123-I126 WeakPolarHBondContact O-CG1 3.37Å; D123-I126 WeakPolarHBondContact O-CG2 3.46Å; D123-I126 PolarHBondContact O-N 3.38Å
124	L	65.4	Low	66.9	Low	107 Å²	107	69.4 Å²	69.4	56%	0.56	38%	0.376	S	S	*	.	G	3₁₀ helix	trans	-54.8	-19.2	-178.7	-73	172.9	0	0	0	113.1	P121 L122 I126 W127	P121-L124 HydrophobicContact CB-CD2 4.5Å; L122-L124 PolarHBondContact O-N 3.47Å; L124-I126 PolarHBondContact O-N 3.25Å; L124-I126 VanDerWaalsContact O-N 3.15Å; L124-W127 PolarHBondContact O-N 2.86Å
125	N	73.5	Confident	69.3	Low	102 Å²	102	64.4 Å²	64.4	55%	0.545	35%	0.349	S	S	.	.	G	3₁₀ helix	trans	-58.2	-20.2	171.8	-60.9	-36.9	0	0	0	113	D123 W127 N128	D123-N125 PolarHBondContact O-N 3.44Å; D123-N125 WeakPolarHBondContact OD1-CB 3.26Å; D123-N125 PolarHBondContact OD1-N 3.46Å; D123-N125 PolarHBondContact OD1-ND2 2.85Å; D123-N125 PolarHBondContact OD2-ND2 2.94Å; N125-W127 PolarHBondContact O-N 2.84Å; N125-N128 PolarHBondContact O-N 3.49Å; N125-N128 PolarHBondContact O-ND2 2.93Å; N125-N128 PolarHBondContact O-OD1 3.47Å
126	I	84.5	Confident	71.6	Confident	5 Å²	5	65.2 Å²	65.2	3%	0.026	36%	0.357	C	S	.	.	G	3₁₀ helix	trans	-54.9	-25.8	176.9	63.9	160.6	0	0	0	112.9	D123 L124 W131 F172 M291 E298	D123-I126 WeakPolarHBondContact O-CG1 3.37Å; D123-I126 WeakPolarHBondContact O-CG2 3.46Å; D123-I126 PolarHBondContact O-N 3.38Å; L124-I126 PolarHBondContact O-N 3.25Å; L124-I126 VanDerWaalsContact O-N 3.15Å; I126-W131 PolarHBondContact O-NE1 2.96Å; I126-F172 WeakPolarHBondContact O-CE2 3.49Å; I126-M291 HydrophobicContact CG2-CE 4.24Å; I126-E298 HydrophobicContact CD1-CB 3.88Å; I126-E298 HydrophobicContact CD1-CG 3.55Å
127	W	88	Confident	73.6	Confident	25 Å²	25	68.4 Å²	68.4	10%	0.095	38%	0.38	C	S	.	.	G	3₁₀ helix	trans	-89.7	-0.2	-175.5	-60.2	114.1	0	0	0	114.4	L124 N125 G129 F172 L175 C295 E298 F299	L124-W127 PolarHBondContact O-N 2.86Å; N125-W127 PolarHBondContact O-N 2.84Å; W127-G129 VanDerWaalsContact C-N 3.29Å; W127-F172 AromaticContact CE3-CE2 3.9Å; W127-F172 HydrophobicContact CE3-CE2 3.9Å; W127-F172 HydrophobicContact CE3-CZ 4.43Å; W127-F172 HydrophobicContact CZ3-CE2 4.44Å; W127-L175 HydrophobicContact CH2-CB 4.34Å; W127-L175 HydrophobicContact CZ3-CB 4.08Å; W127-C295 HydrophobicContact CH2-CB 4.47Å; W127-E298 HydrophobicContact CZ2-CB 3.77Å; W127-F299 HydrophobicContact CH2-CB 4.45Å
128	N	84.6	Confident	75.8	Confident	83 Å²	83	73.7 Å²	73.7	44%	0.444	41%	0.408	S	S	.	.	G	3₁₀ helix	trans	-70.7	-26.8	170.5	65.3	11.7	0	0	0	112.3	N125 D130	N125-N128 PolarHBondContact O-N 3.49Å; N125-N128 PolarHBondContact O-ND2 2.93Å; N125-N128 PolarHBondContact O-OD1 3.47Å; N128-D130 VanDerWaalsContact C-N 3.27Å; N128-D130 VanDerWaalsContact CG-CG 3.5Å; N128-D130 VanDerWaalsContact CG-OD2 3.28Å; N128-D130 PolarHBondContact ND2-OD2 3.22Å; N128-D130 PolarHBondContact O-N 3.39Å; N128-D130 PolarHBondContact OD1-N 3.08Å
129	G	82.2	Confident	77.7	Confident	13 Å²	13	71.2 Å²	71.2	13%	0.134	39%	0.394	C	S	.	.			trans	75	7.8	-176.4	0	0	0	0	0	115	W127 W131 L132	W127-G129 VanDerWaalsContact C-N 3.29Å; G129-W131 PolarHBondContact O-N 3.37Å; G129-L132 VanDerWaalsContact O-CB 3.31Å; G129-L132 WeakPolarHBondContact O-CB 3.39Å; G129-L132 PolarHBondContact O-N 2.75Å
130	D	84	Confident	79.1	Confident	135 Å²	135	78.2 Å²	78.2	72%	0.722	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-26.8	-177	-69.5	-20.7	0	0	0	112.4	N128 L132	N128-D130 VanDerWaalsContact C-N 3.27Å; N128-D130 VanDerWaalsContact CG-CG 3.5Å; N128-D130 VanDerWaalsContact CG-OD2 3.28Å; N128-D130 PolarHBondContact ND2-OD2 3.22Å; N128-D130 PolarHBondContact O-N 3.39Å; N128-D130 PolarHBondContact OD1-N 3.08Å; D130-L132 VanDerWaalsContact C-N 3.26Å; D130-L132 PolarHBondContact O-N 2.92Å
131	W	82.7	Confident	80.8	Confident	52 Å²	52	70.8 Å²	70.8	20%	0.197	40%	0.396	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-7.3	177.6	60.8	-91.6	0	0	0	114	I126 G129 F172 M291 L292	I126-W131 PolarHBondContact O-NE1 2.96Å; G129-W131 PolarHBondContact O-N 3.37Å; W131-F172 HydrophobicContact CH2-CD2 4.33Å; W131-F172 HydrophobicContact CZ2-CB 4.46Å; W131-F172 AromaticContact CZ2-CD2 3.52Å; W131-F172 HydrophobicContact CZ2-CD2 3.52Å; W131-F172 AromaticContact CZ2-CE2 3.95Å; W131-F172 HydrophobicContact CZ2-CE2 3.95Å; W131-F172 HydrophobicContact CZ2-CG 4.2Å; W131-M291 HydrophobicContact CB-CE 3.81Å; W131-M291 HydrophobicContact CB-CG 4.39Å; W131-M291 VanDerWaalsContact CD1-CE 3.47Å; W131-M291 HydrophobicContact CD2-CB 3.55Å; W131-M291 HydrophobicContact CD2-CE 4.09Å; W131-M291 HydrophobicContact CD2-CG 3.79Å; W131-M291 HydrophobicContact CE3-CB 3.36Å; W131-M291 HydrophobicContact CE3-CG 3.78Å; W131-M291 HydrophobicContact CG-CB 4.31Å; W131-M291 HydrophobicContact CG-CE 3.51Å; W131-M291 HydrophobicContact CG-CG 4.07Å; W131-M291 HydrophobicContact CH2-CB 3.63Å; W131-M291 HydrophobicContact CZ2-CB 3.8Å; W131-M291 HydrophobicContact CZ3-CB 3.41Å; W131-M291 VanDerWaalsContact CZ3-CB 3.41Å; W131-M291 HydrophobicContact CZ3-CG 4.31Å; W131-L292 HydrophobicContact CH2-CD2 3.92Å; W131-L292 HydrophobicContact CH2-CG 4.1Å
132	L	83.2	Confident	82.5	Confident	15 Å²	15	68.7 Å²	68.7	8%	0.079	38%	0.382	C	S	.	.	P	Polyproline II helix	trans	-78.4	121.6	-174.5	-73.3	165.3	0	0	0	112.2	G129 D130 R169 F172	G129-L132 VanDerWaalsContact O-CB 3.31Å; G129-L132 WeakPolarHBondContact O-CB 3.39Å; G129-L132 PolarHBondContact O-N 2.75Å; D130-L132 VanDerWaalsContact C-N 3.26Å; D130-L132 PolarHBondContact O-N 2.92Å; L132-R169 HydrophobicContact CD1-CG 4.37Å; L132-R169 HydrophobicContact CD2-CB 4.49Å; L132-R169 PolarHBondContact O-NH2 3.27Å; L132-F172 HydrophobicContact CD1-CB 3.89Å; L132-F172 HydrophobicContact CD1-CD1 3.29Å; L132-F172 HydrophobicContact CD1-CD2 4.48Å; L132-F172 HydrophobicContact CD1-CE1 3.79Å; L132-F172 HydrophobicContact CD1-CG 3.64Å; L132-F172 HydrophobicContact CD2-CB 4.02Å; L132-F172 HydrophobicContact CD2-CG 4.44Å; L132-F172 HydrophobicContact CG-CD1 4.48Å; L132-F172 HydrophobicContact CG-CG 4.45Å
133	P	77.6	Confident	83.9	Confident	50 Å²	50	72.8 Å²	72.8	33%	0.325	40%	0.397	S	S	.	.	P	Polyproline II helix	trans	-62.9	141.7	176	27.4	-34.2	0	0	0	110	R169	P133-R169 VanDerWaalsContact O-CZ 3.28Å; P133-R169 PolarHBondContact O-NH1 3.17Å; P133-R169 PolarHBondContact O-NH2 2.78Å
134	P	84.7	Confident	85.3	Confident	105 Å²	105	68.9 Å²	68.9	68%	0.682	38%	0.376	S	S	*	.	P	Polyproline II helix	trans	-55.6	147	176.6	24.7	-33.8	0	0	0	110.7	P136 R169	P134-P136 VanDerWaalsContact O-CD 3.29Å; P134-P136 WeakPolarHBondContact O-CD 3.36Å; P134-R169 VanDerWaalsContact C-NH1 3.35Å; P134-R169 VanDerWaalsContact CA-NH1 3.26Å
135	I	89	Confident	86.7	Confident	52 Å²	52	68.9 Å²	68.9	27%	0.267	37%	0.373	S	S	.	.	P	Polyproline II helix	trans	-67.2	123	175.6	-65.7	161.2	0	0	0	107	Y139 R169 Y170	I135-Y139 HydrophobicContact CG2-CD1 3.77Å; I135-Y139 HydrophobicContact CG2-CG 3.8Å; I135-R169 HydrophobicContact CD1-CG 4.48Å; I135-R169 HydrophobicContact CG1-CB 4.32Å; I135-Y170 HydrophobicContact CD1-CE1 4.06Å; I135-Y170 HydrophobicContact CD1-CE2 3.88Å; I135-Y170 VanDerWaalsContact CD1-CZ 3.48Å; I135-Y170 VanDerWaalsContact CD1-OH 3.3Å; I135-Y170 WeakPolarHBondContact CD1-OH 3.42Å
136	P	87.6	Confident	87.6	Confident	61 Å²	61	66.6 Å²	66.6	40%	0.396	36%	0.358	S	S	.	.	P	Polyproline II helix	trans	-57.5	141.4	178.1	-25.5	35.2	0	0	0	111.4	P134 N138 Y139	P134-P136 VanDerWaalsContact O-CD 3.29Å; P134-P136 WeakPolarHBondContact O-CD 3.36Å; P136-N138 WeakPolarHBondContact CB-OD1 3.38Å; P136-N138 PolarHBondContact O-N 2.96Å; P136-N138 VanDerWaalsContact O-N 3.16Å; P136-Y139 WeakPolarHBondContact O-CB 3.34Å; P136-Y139 PolarHBondContact O-N 2.8Å
137	S	88.7	Confident	88.1	Confident	130 Å²	130	72 Å²	72	91%	0.909	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-28.5	179.1	53.4	0	0	0	0	113
138	N	90.8	Very high	88.5	Confident	115 Å²	115	71.5 Å²	71.5	62%	0.615	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.9	7.9	176.3	69.8	-19.2	0	0	0	114.2	P136 Q140	P136-N138 WeakPolarHBondContact CB-OD1 3.38Å; P136-N138 PolarHBondContact O-N 2.96Å; P136-N138 VanDerWaalsContact O-N 3.16Å; N138-Q140 WeakPolarHBondContact O-CG 3.26Å; N138-Q140 PolarHBondContact O-N 3.37Å; N138-Q140 VanDerWaalsContact O-N 3.14Å; N138-Q140 PolarHBondContact O-NE2 2.89Å
139	Y	90.4	Very high	89.1	Confident	35 Å²	35	70.1 Å²	70.1	14%	0.137	39%	0.386	C	S	.	.			trans	-61.1	115.3	179	178.1	-110.5	0	0	0	111.5	I135 P136 G141 I142 K143 H167 Y170	I135-Y139 HydrophobicContact CG2-CD1 3.77Å; I135-Y139 HydrophobicContact CG2-CG 3.8Å; P136-Y139 WeakPolarHBondContact O-CB 3.34Å; P136-Y139 PolarHBondContact O-N 2.8Å; Y139-G141 VanDerWaalsContact CE1-O 3.27Å; Y139-G141 WeakPolarHBondContact CE1-O 3.41Å; Y139-G141 WeakPolarHBondContact OH-CA 3.24Å; Y139-I142 WeakPolarHBondContact CE1-O 3.25Å; Y139-I142 PolarHBondContact OH-O 3.25Å; Y139-K143 HydrophobicContact CD1-CG 4.42Å; Y139-H167 HydrophobicContact CE1-CB 4.3Å; Y139-H167 HydrophobicContact CE2-CB 3.87Å; Y139-H167 PolarHBondContact OH-N 3Å; Y139-H167 VanDerWaalsContact OH-N 3.09Å; Y139-Y170 AromaticContact CE1-CE2 3.8Å; Y139-Y170 HydrophobicContact CE1-CE2 3.8Å
140	Q	87.4	Confident	89.7	Confident	177 Å²	177	72.4 Å²	72.4	83%	0.827	39%	0.394	S	S	*	.			trans	-94.9	-2.3	-178	-58.6	-56.6	-53.3	0	0	113.7	N138	N138-Q140 WeakPolarHBondContact O-CG 3.26Å; N138-Q140 PolarHBondContact O-N 3.37Å; N138-Q140 VanDerWaalsContact O-N 3.14Å; N138-Q140 PolarHBondContact O-NE2 2.89Å
141	G	89.9	Confident	90.3	Very high	19 Å²	19	71.1 Å²	71.1	20%	0.196	39%	0.387	C	S	.	.	S	Bend	trans	-79.9	177.8	179.7	0	0	0	0	0	112.5	Y139 K143	Y139-G141 VanDerWaalsContact CE1-O 3.27Å; Y139-G141 WeakPolarHBondContact CE1-O 3.41Å; Y139-G141 WeakPolarHBondContact OH-CA 3.24Å; G141-K143 PolarHBondContact O-N 3.43Å
142	I	91.3	Very high	91	Very high	16 Å²	16	69 Å²	69	8%	0.082	38%	0.379	C	S	.	.	P	Polyproline II helix	trans	-61	133	179.3	-170.7	170.9	0	0	0	111.3	Y139 L144 Q152 M155 M156 I166 Y170	Y139-I142 WeakPolarHBondContact CE1-O 3.25Å; Y139-I142 PolarHBondContact OH-O 3.25Å; I142-L144 HydrophobicContact CD1-CD2 3.73Å; I142-L144 HydrophobicContact CG1-CD2 3.92Å; I142-Q152 WeakPolarHBondContact CD1-O 3.11Å; I142-M155 HydrophobicContact CD1-CB 3.55Å; I142-M156 HydrophobicContact CD1-CB 3.88Å; I142-M156 VanDerWaalsContact CD1-N 3.31Å; I142-I166 HydrophobicContact CG2-CD1 4.09Å; I142-I166 HydrophobicContact CG2-CG1 3.89Å; I142-Y170 VanDerWaalsContact O-CE2 3.27Å; I142-Y170 WeakPolarHBondContact O-CE2 3.24Å
143	K	92.3	Very high	91.6	Very high	136 Å²	136	68.3 Å²	68.3	59%	0.591	38%	0.375	S	S	*	.	P	Polyproline II helix	trans	-99.6	117.7	172.7	-60.9	-179.7	-176.5	176.9	0	108.6	Y139 G141 Y170	Y139-K143 HydrophobicContact CD1-CG 4.42Å; G141-K143 PolarHBondContact O-N 3.43Å; K143-Y170 VanDerWaalsContact CA-OH 3.29Å; K143-Y170 WeakPolarHBondContact CA-OH 3.38Å; K143-Y170 WeakPolarHBondContact CB-OH 3.4Å
144	L	93.4	Very high	92.5	Very high	14 Å²	14	68.5 Å²	68.5	7%	0.073	38%	0.381	C	S	.	.	P	Polyproline II helix	trans	-93.7	146	177.3	-58.5	-173.1	0	0	0	111	I142 F146 I148 Q152 M156 I166 Y170 I174	I142-L144 HydrophobicContact CD1-CD2 3.73Å; I142-L144 HydrophobicContact CG1-CD2 3.92Å; L144-F146 HydrophobicContact CB-CE2 4.41Å; L144-I148 HydrophobicContact CD1-CD1 4.18Å; L144-I148 HydrophobicContact CD2-CD1 4.41Å; L144-Q152 VanDerWaalsContact CA-OE1 3.31Å; L144-Q152 HydrophobicContact CD2-CB 4.14Å; L144-M156 HydrophobicContact CD1-SD 4.47Å; L144-I166 HydrophobicContact CD1-CD1 3.43Å; L144-I166 VanDerWaalsContact CD1-CD1 3.43Å; L144-I166 HydrophobicContact CG-CD1 3.91Å; L144-Y170 HydrophobicContact CB-CD1 3.69Å; L144-Y170 HydrophobicContact CB-CE1 4.04Å; L144-Y170 HydrophobicContact CB-CG 4.24Å; L144-Y170 HydrophobicContact CG-CD1 4.23Å; L144-Y170 HydrophobicContact CG-CG 4.28Å; L144-Y170 VanDerWaalsContact N-CE1 3.3Å; L144-Y170 VanDerWaalsContact O-CE1 3.28Å; L144-Y170 WeakPolarHBondContact O-CE1 3.49Å; L144-I174 HydrophobicContact CD1-CD1 3.79Å; L144-I174 HydrophobicContact CD1-CG1 4.19Å
145	H	94.3	Very high	93	Very high	107 Å²	107	68 Å²	68	50%	0.495	37%	0.37	S	S	.	.			trans	-127.1	143.4	169	57.5	81.8	0	0	0	109.4	P147 D149 Q152	H145-P147 CarbonylContact O-C 3.47Å; H145-D149 IonicContact CE1-OD2 3.26Å; H145-D149 PolarHBondContact CE1-OD2 3.2Å; H145-D149 VanDerWaalsContact CE1-OD2 3.26Å; H145-D149 IonicContact NE2-OD2 3.86Å; H145-Q152 PolarHBondContact CD2-OE1 3.45Å; H145-Q152 VanDerWaalsContact CE1-CD 3.41Å; H145-Q152 PolarHBondContact CE1-NE2 2.78Å; H145-Q152 PolarHBondContact ND1-NE2 2.62Å; H145-Q152 VanDerWaalsContact ND1-NE2 3.15Å; H145-Q152 VanDerWaalsContact NE2-CD 3.33Å; H145-Q152 PolarHBondContact NE2-NE2 3.33Å; H145-Q152 PolarHBondContact O-NE2 3.33Å; H145-Q152 VanDerWaalsContact O-NE2 3.08Å; H145-Q152 PolarHBondContact O-OE1 2.81Å
146	F	93.4	Very high	93.4	Very high	53 Å²	53	65.5 Å²	65.5	23%	0.232	36%	0.358	C	S	.	.	S	Bend	trans	-106.5	141.1	179.1	-66.9	-89.8	0	0	0	110.2	L144 I148 Q173 I174 E177 L253	L144-F146 HydrophobicContact CB-CE2 4.41Å; F146-I148 HydrophobicContact CD1-CB 4.23Å; F146-I148 HydrophobicContact CE1-CB 4.26Å; F146-Q173 HydrophobicContact CD2-CB 4.26Å; F146-Q173 HydrophobicContact CE2-CB 3.44Å; F146-Q173 VanDerWaalsContact CE2-CB 3.44Å; F146-Q173 HydrophobicContact CE2-CG 4.33Å; F146-Q173 HydrophobicContact CZ-CB 3.81Å; F146-I174 HydrophobicContact CE1-CG1 4.4Å; F146-I174 HydrophobicContact CZ-CG1 3.86Å; F146-E177 HydrophobicContact CD1-CB 4.33Å; F146-E177 HydrophobicContact CD1-CG 3.61Å; F146-E177 HydrophobicContact CE1-CB 4.24Å; F146-E177 HydrophobicContact CE1-CG 3.78Å; F146-E177 HydrophobicContact CG-CG 4.13Å; F146-E177 HydrophobicContact CZ-CG 4.46Å; F146-L253 HydrophobicContact CE1-CD1 4.29Å
147	P	95.4	Very high	93.8	Very high	119 Å²	119	63.6 Å²	63.6	77%	0.773	34%	0.344	S	S	*	.	S	Bend	cis	-65.6	140.4	-0.2	28.8	-35.1	0	0	0	112.2	H145	H145-P147 CarbonylContact O-C 3.47Å
148	I	96.4	Very high	94.1	Very high	14 Å²	14	63.4 Å²	63.4	7%	0.072	33%	0.329	C	S	.	.			trans	-74.1	145.6	-178.2	-164.5	173.6	0	0	0	110.2	L144 F146 Q152 V153 C250 L253 I254	L144-I148 HydrophobicContact CD1-CD1 4.18Å; L144-I148 HydrophobicContact CD2-CD1 4.41Å; F146-I148 HydrophobicContact CD1-CB 4.23Å; F146-I148 HydrophobicContact CE1-CB 4.26Å; I148-Q152 HydrophobicContact CD1-CB 4.46Å; I148-Q152 HydrophobicContact CG1-CB 3.9Å; I148-V153 HydrophobicContact CD1-CG2 3.96Å; I148-V153 HydrophobicContact CG1-CG2 4.35Å; I148-C250 HydrophobicContact CD1-CB 3.92Å; I148-C250 WeakPolarHBondContact CD1-SG 3.39Å; I148-L253 HydrophobicContact CG2-CB 3.92Å; I148-L253 HydrophobicContact CG2-CD1 4.33Å; I148-I254 HydrophobicContact CG2-CD1 4.37Å; I148-I254 HydrophobicContact CG2-CG1 3.87Å; I148-I254 WeakPolarHBondContact O-CG1 3.44Å
149	D	95.8	Very high	94.3	Very high	55 Å²	55	58.7 Å²	58.7	29%	0.294	31%	0.305	S	S	.	.			trans	-120.9	171	178.7	65.9	60.7	0	0	0	112.7	H145 N151 Q152 V153 I254	H145-D149 IonicContact CE1-OD2 3.26Å; H145-D149 PolarHBondContact CE1-OD2 3.2Å; H145-D149 VanDerWaalsContact CE1-OD2 3.26Å; H145-D149 IonicContact NE2-OD2 3.86Å; D149-N151 VanDerWaalsContact C-N 3.28Å; D149-N151 PolarHBondContact O-N 3.46Å; D149-N151 WeakPolarHBondContact OD1-CA 3.18Å; D149-N151 VanDerWaalsContact OD1-CB 3.28Å; D149-N151 WeakPolarHBondContact OD1-CB 3.47Å; D149-N151 PolarHBondContact OD1-N 3.4Å; D149-Q152 VanDerWaalsContact N-NE2 3.18Å; D149-Q152 PolarHBondContact O-N 3.36Å; D149-Q152 PolarHBondContact OD1-N 3.17Å; D149-Q152 PolarHBondContact OD2-NE2 3.22Å; D149-V153 PolarHBondContact O-N 3.21Å; D149-V153 VanDerWaalsContact O-N 3.12Å; D149-I254 VanDerWaalsContact C-CD1 3.42Å; D149-I254 WeakPolarHBondContact O-CD1 3.12Å
150	M	95.6	Very high	94.5	Very high	61 Å²	61	57.1 Å²	57.1	30%	0.3	30%	0.299	S	S	.	.	H	α-helix	trans	-65.4	-28.4	-177.6	-74.9	-61.2	-59.2	0	0	113.8	V153 A154 M221 L251 I254	M150-V153 PolarHBondContact O-N 2.54Å; M150-A154 WeakPolarHBondContact O-CB 3.29Å; M150-A154 PolarHBondContact O-N 3.34Å; M150-M221 HydrophobicContact CE-CB 4.11Å; M150-M221 HydrophobicContact CE-CE 3.48Å; M150-M221 VanDerWaalsContact CE-CE 3.48Å; M150-M221 HydrophobicContact CE-CG 4.07Å; M150-L251 HydrophobicContact CE-CD2 4.43Å; M150-L251 HydrophobicContact SD-CD2 4.28Å; M150-I254 HydrophobicContact CG-CD1 4.22Å; M150-I254 HydrophobicContact CG-CG2 3.94Å; M150-I254 HydrophobicContact SD-CB 4.5Å; M150-I254 HydrophobicContact SD-CD1 3.7Å; M150-I254 HydrophobicContact SD-CG2 3.93Å
151	N	96.3	Very high	94.7	Very high	108 Å²	108	52.2 Å²	52.2	58%	0.578	28%	0.281	S	S	*	.	H	α-helix	trans	-70.4	-43.1	177.7	-178.3	62.5	0	0	0	110.1	D149 V153 A154 M155	D149-N151 VanDerWaalsContact C-N 3.28Å; D149-N151 PolarHBondContact O-N 3.46Å; D149-N151 WeakPolarHBondContact OD1-CA 3.18Å; D149-N151 VanDerWaalsContact OD1-CB 3.28Å; D149-N151 WeakPolarHBondContact OD1-CB 3.47Å; D149-N151 PolarHBondContact OD1-N 3.4Å; N151-V153 VanDerWaalsContact C-N 3.32Å; N151-V153 PolarHBondContact O-N 2.92Å; N151-A154 PolarHBondContact O-N 2.96Å; N151-M155 WeakPolarHBondContact O-CG 3.48Å; N151-M155 PolarHBondContact O-N 3.19Å
152	Q	97	Very high	94.8	Very high	7 Å²	7	56.8 Å²	56.8	3%	0.033	30%	0.301	C	S	.	.	H	α-helix	trans	-60	-40.6	172.7	-67.8	-178.1	82.5	0	0	112.1	I142 L144 H145 I148 D149 M155 M156	I142-Q152 WeakPolarHBondContact CD1-O 3.11Å; L144-Q152 VanDerWaalsContact CA-OE1 3.31Å; L144-Q152 HydrophobicContact CD2-CB 4.14Å; H145-Q152 PolarHBondContact CD2-OE1 3.45Å; H145-Q152 VanDerWaalsContact CE1-CD 3.41Å; H145-Q152 PolarHBondContact CE1-NE2 2.78Å; H145-Q152 PolarHBondContact ND1-NE2 2.62Å; H145-Q152 VanDerWaalsContact ND1-NE2 3.15Å; H145-Q152 VanDerWaalsContact NE2-CD 3.33Å; H145-Q152 PolarHBondContact NE2-NE2 3.33Å; H145-Q152 PolarHBondContact O-NE2 3.33Å; H145-Q152 VanDerWaalsContact O-NE2 3.08Å; H145-Q152 PolarHBondContact O-OE1 2.81Å; I148-Q152 HydrophobicContact CD1-CB 4.46Å; I148-Q152 HydrophobicContact CG1-CB 3.9Å; D149-Q152 VanDerWaalsContact N-NE2 3.18Å; D149-Q152 PolarHBondContact O-N 3.36Å; D149-Q152 PolarHBondContact OD1-N 3.17Å; D149-Q152 PolarHBondContact OD2-NE2 3.22Å; Q152-M155 PolarHBondContact O-N 3.08Å; Q152-M156 VanDerWaalsContact O-CB 3.29Å; Q152-M156 WeakPolarHBondContact O-CB 3.32Å; Q152-M156 PolarHBondContact O-N 3.31Å
153	V	96.7	Very high	94.7	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-65.4	-43.1	175.7	171.3	0	0	0	0	112	I148 D149 M150 N151 M155 M156 M157 C250 L251 I254	I148-V153 HydrophobicContact CD1-CG2 3.96Å; I148-V153 HydrophobicContact CG1-CG2 4.35Å; D149-V153 PolarHBondContact O-N 3.21Å; D149-V153 VanDerWaalsContact O-N 3.12Å; M150-V153 PolarHBondContact O-N 2.54Å; N151-V153 VanDerWaalsContact C-N 3.32Å; N151-V153 PolarHBondContact O-N 2.92Å; V153-M155 PolarHBondContact O-N 3.31Å; V153-M156 WeakPolarHBondContact O-CB 3.44Å; V153-M156 PolarHBondContact O-N 3.48Å; V153-M157 HydrophobicContact CG1-CG 4.35Å; V153-M157 HydrophobicContact CG1-SD 3.96Å; V153-M157 VanDerWaalsContact O-CG 3.3Å; V153-M157 WeakPolarHBondContact O-CG 3.15Å; V153-M157 PolarHBondContact O-N 2.62Å; V153-C250 HydrophobicContact CG2-CB 3.6Å; V153-L251 HydrophobicContact CG1-CD2 3.97Å; V153-L251 HydrophobicContact CG1-CG 4.49Å; V153-I254 HydrophobicContact CB-CD1 4.22Å; V153-I254 HydrophobicContact CG2-CD1 3.41Å; V153-I254 VanDerWaalsContact CG2-CD1 3.41Å
154	A	95.9	Very high	94.6	Very high	54 Å²	54	55.2 Å²	55.2	45%	0.446	32%	0.318	S	S	.	.	H	α-helix	trans	-59.7	-47.4	176.3	0	0	0	0	0	111.5	M150 N151 M156 M157 E158	M150-A154 WeakPolarHBondContact O-CB 3.29Å; M150-A154 PolarHBondContact O-N 3.34Å; N151-A154 PolarHBondContact O-N 2.96Å; A154-M156 VanDerWaalsContact C-N 3.32Å; A154-M156 PolarHBondContact O-N 3.1Å; A154-M157 PolarHBondContact O-N 3.32Å; A154-E158 PolarHBondContact O-N 3.44Å
155	M	95.9	Very high	94.4	Very high	94 Å²	94	61.3 Å²	61.3	46%	0.463	34%	0.34	S	S	.	.	H	α-helix	trans	-62.6	-37.8	175.7	-68	175.7	69.3	0	0	112.1	I142 N151 Q152 V153 E158 S159	I142-M155 HydrophobicContact CD1-CB 3.55Å; N151-M155 WeakPolarHBondContact O-CG 3.48Å; N151-M155 PolarHBondContact O-N 3.19Å; Q152-M155 PolarHBondContact O-N 3.08Å; V153-M155 PolarHBondContact O-N 3.31Å; M155-E158 PolarHBondContact O-N 2.96Å; M155-S159 WeakPolarHBondContact O-CB 3.14Å; M155-S159 PolarHBondContact O-N 2.93Å
156	M	96.5	Very high	94.4	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-64.3	-47.2	177.4	-175	-179.9	72.7	0	0	110.8	I142 L144 Q152 V153 A154 E158 S159 F160 I166 I174 C250	I142-M156 HydrophobicContact CD1-CB 3.88Å; I142-M156 VanDerWaalsContact CD1-N 3.31Å; L144-M156 HydrophobicContact CD1-SD 4.47Å; Q152-M156 VanDerWaalsContact O-CB 3.29Å; Q152-M156 WeakPolarHBondContact O-CB 3.32Å; Q152-M156 PolarHBondContact O-N 3.31Å; V153-M156 WeakPolarHBondContact O-CB 3.44Å; V153-M156 PolarHBondContact O-N 3.48Å; A154-M156 VanDerWaalsContact C-N 3.32Å; A154-M156 PolarHBondContact O-N 3.1Å; M156-E158 VanDerWaalsContact C-N 3.33Å; M156-E158 PolarHBondContact O-N 3.32Å; M156-S159 VanDerWaalsContact O-CB 3.25Å; M156-S159 WeakPolarHBondContact O-CB 3.5Å; M156-S159 PolarHBondContact O-N 3.45Å; M156-F160 HydrophobicContact CE-CE2 3.99Å; M156-F160 HydrophobicContact CE-CZ 4.42Å; M156-F160 HydrophobicContact CG-CD2 4.3Å; M156-F160 HydrophobicContact CG-CE1 4.07Å; M156-F160 HydrophobicContact CG-CE2 3.66Å; M156-F160 HydrophobicContact CG-CZ 3.53Å; M156-F160 VanDerWaalsContact O-CG 3.31Å; M156-F160 WeakPolarHBondContact O-CG 3.47Å; M156-F160 PolarHBondContact O-N 3.28Å; M156-F160 HydrophobicContact SD-CE2 4.05Å; M156-F160 HydrophobicContact SD-CZ 3.89Å; M156-I166 HydrophobicContact SD-CD1 4.22Å; M156-I174 HydrophobicContact SD-CD1 4.34Å; M156-C250 HydrophobicContact CE-CB 4.11Å
157	M	96.3	Very high	94.4	Very high	21 Å²	21	55 Å²	55	10%	0.103	31%	0.312	C	S	.	.	H	α-helix	trans	-62.2	-40.7	177.4	-68.7	175.2	68.4	0	0	111.6	V153 A154 F160 V161 F209 Q213 L216 M221 T247	V153-M157 HydrophobicContact CG1-CG 4.35Å; V153-M157 HydrophobicContact CG1-SD 3.96Å; V153-M157 VanDerWaalsContact O-CG 3.3Å; V153-M157 WeakPolarHBondContact O-CG 3.15Å; V153-M157 PolarHBondContact O-N 2.62Å; A154-M157 PolarHBondContact O-N 3.32Å; M157-F160 PolarHBondContact O-N 3.27Å; M157-V161 WeakPolarHBondContact O-CG2 3.42Å; M157-V161 PolarHBondContact O-N 3.33Å; M157-V161 VanDerWaalsContact O-N 3.07Å; M157-F209 HydrophobicContact CB-CZ 4.18Å; M157-F209 HydrophobicContact CG-CZ 4.11Å; M157-Q213 HydrophobicContact CE-CG 4.19Å; M157-L216 HydrophobicContact CE-CD1 3.84Å; M157-M221 HydrophobicContact SD-CE 4.26Å; M157-T247 HydrophobicContact CE-CG2 4.34Å; M157-T247 HydrophobicContact CG-CG2 3.98Å; M157-T247 HydrophobicContact SD-CG2 3.89Å
158	E	94.8	Very high	94.4	Very high	126 Å²	126	49.6 Å²	49.6	59%	0.589	28%	0.277	S	S	*	.	H	α-helix	trans	-63	-42.4	173.9	-174.6	175.4	-163.9	0	0	111.7	A154 M155 M156 F160 V161 N162	A154-E158 PolarHBondContact O-N 3.44Å; M155-E158 PolarHBondContact O-N 2.96Å; M156-E158 VanDerWaalsContact C-N 3.33Å; M156-E158 PolarHBondContact O-N 3.32Å; E158-F160 VanDerWaalsContact C-N 3.31Å; E158-F160 PolarHBondContact O-N 2.95Å; E158-V161 WeakPolarHBondContact O-CB 3.09Å; E158-V161 PolarHBondContact O-N 3.49Å; E158-V161 VanDerWaalsContact O-N 3.16Å; E158-N162 PolarHBondContact O-N 2.97Å; E158-N162 PolarHBondContact O-ND2 2.94Å
159	S	94.9	Very high	94.3	Very high	16 Å²	16	51.6 Å²	51.6	11%	0.112	28%	0.284	C	S	.	.	H	α-helix	trans	-55.9	-45.4	173.8	-152.1	0	0	0	0	111.7	M155 M156 V161 N162 G163 S164	M155-S159 WeakPolarHBondContact O-CB 3.14Å; M155-S159 PolarHBondContact O-N 2.93Å; M156-S159 VanDerWaalsContact O-CB 3.25Å; M156-S159 WeakPolarHBondContact O-CB 3.5Å; M156-S159 PolarHBondContact O-N 3.45Å; S159-V161 VanDerWaalsContact C-N 3.35Å; S159-V161 PolarHBondContact O-N 3.47Å; S159-N162 CarbonylContact O-C 3.33Å; S159-N162 PolarHBondContact O-N 3.37Å; S159-G163 PolarHBondContact O-N 3.47Å; S159-S164 WeakPolarHBondContact O-CB 3.19Å; S159-S164 PolarHBondContact O-N 2.87Å; S159-S164 WeakPolarHBondContact OG-CB 3.18Å
160	F	95.2	Very high	94.3	Very high	2 Å²	2	49.7 Å²	49.7	1%	0.009	27%	0.273	C	S	.	.	H	α-helix	trans	-65.4	-33.6	177.9	-65.6	-19.2	0	0	0	113.5	M156 M157 E158 G163 I166 F209 K240 E243	M156-F160 HydrophobicContact CE-CE2 3.99Å; M156-F160 HydrophobicContact CE-CZ 4.42Å; M156-F160 HydrophobicContact CG-CD2 4.3Å; M156-F160 HydrophobicContact CG-CE1 4.07Å; M156-F160 HydrophobicContact CG-CE2 3.66Å; M156-F160 HydrophobicContact CG-CZ 3.53Å; M156-F160 VanDerWaalsContact O-CG 3.31Å; M156-F160 WeakPolarHBondContact O-CG 3.47Å; M156-F160 PolarHBondContact O-N 3.28Å; M156-F160 HydrophobicContact SD-CE2 4.05Å; M156-F160 HydrophobicContact SD-CZ 3.89Å; M157-F160 PolarHBondContact O-N 3.27Å; E158-F160 VanDerWaalsContact C-N 3.31Å; E158-F160 PolarHBondContact O-N 2.95Å; F160-G163 PolarHBondContact O-N 3.24Å; F160-I166 HydrophobicContact CE1-CB 4.19Å; F160-I166 HydrophobicContact CE1-CG2 4.29Å; F160-I166 HydrophobicContact CZ-CG2 4.44Å; F160-F209 HydrophobicContact CB-CD1 4.33Å; F160-F209 HydrophobicContact CB-CE1 3.7Å; F160-F209 HydrophobicContact CB-CZ 4Å; F160-F209 HydrophobicContact CD2-CE1 4.33Å; F160-F209 HydrophobicContact CD2-CE2 4.05Å; F160-F209 AromaticContact CD2-CZ 3.78Å; F160-F209 HydrophobicContact CD2-CZ 3.78Å; F160-F209 HydrophobicContact CG-CZ 4.42Å; F160-K240 PolarHBondContact O-NZ 2.99Å; F160-E243 HydrophobicContact CB-CB 4.27Å; F160-E243 HydrophobicContact CB-CG 3.84Å; F160-E243 HydrophobicContact CD1-CB 4.33Å; F160-E243 HydrophobicContact CD1-CG 3.51Å; F160-E243 HydrophobicContact CD2-CB 3.46Å; F160-E243 VanDerWaalsContact CD2-CB 3.46Å; F160-E243 HydrophobicContact CD2-CG 3.6Å; F160-E243 HydrophobicContact CE1-CG 3.84Å; F160-E243 HydrophobicContact CE2-CB 3.7Å; F160-E243 HydrophobicContact CE2-CG 3.91Å; F160-E243 HydrophobicContact CG-CB 3.8Å; F160-E243 HydrophobicContact CG-CG 3.37Å; F160-E243 HydrophobicContact CZ-CB 4.25Å; F160-E243 HydrophobicContact CZ-CG 4.02Å
161	V	91.7	Very high	94.3	Very high	75 Å²	75	46.8 Å²	46.8	46%	0.455	26%	0.258	S	S	.	.	H	α-helix	trans	-64.7	-44.2	172.2	173.1	0	0	0	0	110.5	M157 E158 S159 G163 F209	M157-V161 WeakPolarHBondContact O-CG2 3.42Å; M157-V161 PolarHBondContact O-N 3.33Å; M157-V161 VanDerWaalsContact O-N 3.07Å; E158-V161 WeakPolarHBondContact O-CB 3.09Å; E158-V161 PolarHBondContact O-N 3.49Å; E158-V161 VanDerWaalsContact O-N 3.16Å; S159-V161 VanDerWaalsContact C-N 3.35Å; S159-V161 PolarHBondContact O-N 3.47Å; V161-G163 PolarHBondContact O-N 2.93Å; V161-G163 VanDerWaalsContact O-N 3.15Å; V161-F209 HydrophobicContact CG2-CE1 4.45Å
162	N	91.9	Very high	94.3	Very high	115 Å²	115	42.3 Å²	42.3	62%	0.615	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.5	0.3	-179.9	-66.2	-27.8	0	0	0	113.6	E158 S159 S164	E158-N162 PolarHBondContact O-N 2.97Å; E158-N162 PolarHBondContact O-ND2 2.94Å; S159-N162 CarbonylContact O-C 3.33Å; S159-N162 PolarHBondContact O-N 3.37Å; N162-S164 VanDerWaalsContact C-N 3.28Å; N162-S164 PolarHBondContact O-N 3.3Å
163	G	89	Confident	94.2	Very high	65 Å²	65	44.9 Å²	44.9	67%	0.67	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.1	9.6	178.5	0	0	0	0	0	114.1	S159 F160 V161	S159-G163 PolarHBondContact O-N 3.47Å; F160-G163 PolarHBondContact O-N 3.24Å; V161-G163 PolarHBondContact O-N 2.93Å; V161-G163 VanDerWaalsContact O-N 3.15Å
164	S	90.6	Very high	94.3	Very high	53 Å²	53	44.9 Å²	44.9	37%	0.371	25%	0.246	S	C	.	.	P	Polyproline II helix	trans	-76.2	132.6	174	-74.7	0	0	0	0	110.2	S159 N162	S159-S164 WeakPolarHBondContact O-CB 3.19Å; S159-S164 PolarHBondContact O-N 2.87Å; S159-S164 WeakPolarHBondContact OG-CB 3.18Å; N162-S164 VanDerWaalsContact C-N 3.28Å; N162-S164 PolarHBondContact O-N 3.3Å
165	R	90	Very high	94.3	Very high	142 Å²	142	42.3 Å²	42.3	54%	0.536	22%	0.224	S	C	.	.	P	Polyproline II helix	trans	-89.6	142.7	173.3	66.2	-177.4	172.5	-156.3	-9.3	110.7	K284	R165-K284 PolarHBondContact NH1-O 3.43Å
166	I	93.2	Very high	94.3	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.207	C	C	.	.	P	Polyproline II helix	trans	-76.7	145.2	169.2	-160.5	176.8	0	0	0	110.1	I142 L144 M156 F160 Y170 V171 I174 L246 Y285	I142-I166 HydrophobicContact CG2-CD1 4.09Å; I142-I166 HydrophobicContact CG2-CG1 3.89Å; L144-I166 HydrophobicContact CD1-CD1 3.43Å; L144-I166 VanDerWaalsContact CD1-CD1 3.43Å; L144-I166 HydrophobicContact CG-CD1 3.91Å; M156-I166 HydrophobicContact SD-CD1 4.22Å; F160-I166 HydrophobicContact CE1-CB 4.19Å; F160-I166 HydrophobicContact CE1-CG2 4.29Å; F160-I166 HydrophobicContact CZ-CG2 4.44Å; I166-Y170 VanDerWaalsContact CD1-CB 3.47Å; I166-Y170 HydrophobicContact CD1-CD2 4.37Å; I166-Y170 HydrophobicContact CD1-CG 4.21Å; I166-Y170 HydrophobicContact CG1-CD2 3.91Å; I166-Y170 HydrophobicContact CG1-CG 4.2Å; I166-V171 HydrophobicContact CG2-CG2 3.58Å; I166-I174 HydrophobicContact CD1-CD1 4.29Å; I166-L246 HydrophobicContact CG2-CD1 3.91Å; I166-Y285 VanDerWaalsContact O-CE1 3.27Å; I166-Y285 WeakPolarHBondContact O-CE1 3.3Å; I166-Y285 PolarHBondContact O-OH 2.99Å
167	H	94.6	Very high	94.3	Very high	29 Å²	29	41.8 Å²	41.8	13%	0.134	22%	0.222	C	C	.	.	P	Polyproline II helix	trans	-64.6	146.6	179.8	-169	-93.3	0	0	0	111.9	Y139 R169 Y170 V171	Y139-H167 HydrophobicContact CE1-CB 4.3Å; Y139-H167 HydrophobicContact CE2-CB 3.87Å; Y139-H167 PolarHBondContact OH-N 3Å; Y139-H167 VanDerWaalsContact OH-N 3.09Å; H167-R169 WeakPolarHBondContact ND1-CB 3.39Å; H167-R169 PolarHBondContact ND1-N 2.94Å; H167-R169 VanDerWaalsContact ND1-N 3.19Å; H167-R169 PolarHBondContact O-N 3.26Å; H167-R169 VanDerWaalsContact O-N 3.16Å; H167-Y170 HydrophobicContact CB-CD2 3.73Å; H167-Y170 HydrophobicContact CB-CE2 4.1Å; H167-Y170 PolarHBondContact O-N 2.94Å; H167-V171 PolarHBondContact O-N 2.85Å
168	A	94.3	Very high	94.4	Very high	5 Å²	5	40.8 Å²	40.8	4%	0.041	22%	0.217	C	C	.	.	H	α-helix	trans	-53.3	-38.1	-178.8	0	0	0	0	0	113.4	Y170 V171 F172 Y285 L292	A168-Y170 VanDerWaalsContact C-N 3.31Å; A168-Y170 PolarHBondContact O-N 3.24Å; A168-V171 WeakPolarHBondContact O-CB 3.36Å; A168-V171 PolarHBondContact O-N 2.91Å; A168-F172 PolarHBondContact O-N 3.27Å; A168-Y285 HydrophobicContact CB-CD1 3.98Å; A168-Y285 HydrophobicContact CB-CE1 4.43Å; A168-L292 HydrophobicContact CB-CD1 4.01Å
169	R	94.1	Very high	94.4	Very high	56 Å²	56	36.8 Å²	36.8	21%	0.211	20%	0.197	C	C	.	.	H	α-helix	trans	-54.5	-44.1	173.8	177	169.1	-77.8	95.3	5.2	112.8	L132 P133 P134 I135 H167 F172 Q173	L132-R169 HydrophobicContact CD1-CG 4.37Å; L132-R169 HydrophobicContact CD2-CB 4.49Å; L132-R169 PolarHBondContact O-NH2 3.27Å; P133-R169 VanDerWaalsContact O-CZ 3.28Å; P133-R169 PolarHBondContact O-NH1 3.17Å; P133-R169 PolarHBondContact O-NH2 2.78Å; P134-R169 VanDerWaalsContact C-NH1 3.35Å; P134-R169 VanDerWaalsContact CA-NH1 3.26Å; I135-R169 HydrophobicContact CD1-CG 4.48Å; I135-R169 HydrophobicContact CG1-CB 4.32Å; H167-R169 WeakPolarHBondContact ND1-CB 3.39Å; H167-R169 PolarHBondContact ND1-N 2.94Å; H167-R169 VanDerWaalsContact ND1-N 3.19Å; H167-R169 PolarHBondContact O-N 3.26Å; H167-R169 VanDerWaalsContact O-N 3.16Å; R169-F172 PolarHBondContact O-N 2.87Å; R169-Q173 HydrophobicContact CG-CG 4.44Å; R169-Q173 VanDerWaalsContact O-CG 3.26Å; R169-Q173 WeakPolarHBondContact O-CG 3.48Å; R169-Q173 PolarHBondContact O-N 2.96Å
170	Y	95.5	Very high	94.3	Very high	15 Å²	15	41.4 Å²	41.4	6%	0.059	22%	0.217	C	C	.	.	H	α-helix	trans	-74.2	-34.1	-180	-61.6	-56.5	0	0	0	112	I135 Y139 I142 K143 L144 I166 H167 A168 F172 Q173 I174	I135-Y170 HydrophobicContact CD1-CE1 4.06Å; I135-Y170 HydrophobicContact CD1-CE2 3.88Å; I135-Y170 VanDerWaalsContact CD1-CZ 3.48Å; I135-Y170 VanDerWaalsContact CD1-OH 3.3Å; I135-Y170 WeakPolarHBondContact CD1-OH 3.42Å; Y139-Y170 AromaticContact CE1-CE2 3.8Å; Y139-Y170 HydrophobicContact CE1-CE2 3.8Å; I142-Y170 VanDerWaalsContact O-CE2 3.27Å; I142-Y170 WeakPolarHBondContact O-CE2 3.24Å; K143-Y170 VanDerWaalsContact CA-OH 3.29Å; K143-Y170 WeakPolarHBondContact CA-OH 3.38Å; K143-Y170 WeakPolarHBondContact CB-OH 3.4Å; L144-Y170 HydrophobicContact CB-CD1 3.69Å; L144-Y170 HydrophobicContact CB-CE1 4.04Å; L144-Y170 HydrophobicContact CB-CG 4.24Å; L144-Y170 HydrophobicContact CG-CD1 4.23Å; L144-Y170 HydrophobicContact CG-CG 4.28Å; L144-Y170 VanDerWaalsContact N-CE1 3.3Å; L144-Y170 VanDerWaalsContact O-CE1 3.28Å; L144-Y170 WeakPolarHBondContact O-CE1 3.49Å; I166-Y170 VanDerWaalsContact CD1-CB 3.47Å; I166-Y170 HydrophobicContact CD1-CD2 4.37Å; I166-Y170 HydrophobicContact CD1-CG 4.21Å; I166-Y170 HydrophobicContact CG1-CD2 3.91Å; I166-Y170 HydrophobicContact CG1-CG 4.2Å; H167-Y170 HydrophobicContact CB-CD2 3.73Å; H167-Y170 HydrophobicContact CB-CE2 4.1Å; H167-Y170 PolarHBondContact O-N 2.94Å; A168-Y170 VanDerWaalsContact C-N 3.31Å; A168-Y170 PolarHBondContact O-N 3.24Å; Y170-F172 VanDerWaalsContact C-N 3.34Å; Y170-Q173 VanDerWaalsContact CD1-OE1 3.24Å; Y170-Q173 PolarHBondContact O-N 3.05Å; Y170-I174 VanDerWaalsContact O-CG1 3.24Å; Y170-I174 WeakPolarHBondContact O-CG1 3.37Å; Y170-I174 PolarHBondContact O-N 2.77Å
171	V	96.6	Very high	94.3	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-56.6	-51.6	171.1	-176.9	0	0	0	0	109.9	I166 H167 A168 Q173 I174 L175 L246 Y285 L292 F296	I166-V171 HydrophobicContact CG2-CG2 3.58Å; H167-V171 PolarHBondContact O-N 2.85Å; A168-V171 WeakPolarHBondContact O-CB 3.36Å; A168-V171 PolarHBondContact O-N 2.91Å; V171-Q173 PolarHBondContact O-N 3.2Å; V171-I174 PolarHBondContact O-N 2.83Å; V171-L175 HydrophobicContact CG1-CD1 4.38Å; V171-L175 WeakPolarHBondContact O-CG 3.09Å; V171-L175 PolarHBondContact O-N 3.2Å; V171-L175 VanDerWaalsContact O-N 3.09Å; V171-L246 HydrophobicContact CB-CD1 4.43Å; V171-L246 HydrophobicContact CG1-CD1 4.19Å; V171-L246 HydrophobicContact CG1-CD2 4.2Å; V171-L246 HydrophobicContact CG2-CD1 3.99Å; V171-Y285 HydrophobicContact CG2-CE1 3.83Å; V171-Y285 VanDerWaalsContact CG2-OH 3.32Å; V171-Y285 WeakPolarHBondContact CG2-OH 3.37Å; V171-L292 HydrophobicContact CB-CD2 4.02Å; V171-L292 HydrophobicContact CG1-CD2 3.79Å; V171-F296 HydrophobicContact CG1-CE2 3.97Å; V171-F296 HydrophobicContact CG1-CZ 3.74Å
172	F	95.8	Very high	94.5	Very high	13 Å²	13	39.4 Å²	39.4	6%	0.057	21%	0.206	C	C	.	.	H	α-helix	trans	-59	-47.1	177.8	173.4	-98	0	0	0	112.4	I126 W127 W131 L132 A168 R169 Y170 I174 L175 C176	I126-F172 WeakPolarHBondContact O-CE2 3.49Å; W127-F172 AromaticContact CE3-CE2 3.9Å; W127-F172 HydrophobicContact CE3-CE2 3.9Å; W127-F172 HydrophobicContact CE3-CZ 4.43Å; W127-F172 HydrophobicContact CZ3-CE2 4.44Å; W131-F172 HydrophobicContact CH2-CD2 4.33Å; W131-F172 HydrophobicContact CZ2-CB 4.46Å; W131-F172 AromaticContact CZ2-CD2 3.52Å; W131-F172 HydrophobicContact CZ2-CD2 3.52Å; W131-F172 AromaticContact CZ2-CE2 3.95Å; W131-F172 HydrophobicContact CZ2-CE2 3.95Å; W131-F172 HydrophobicContact CZ2-CG 4.2Å; L132-F172 HydrophobicContact CD1-CB 3.89Å; L132-F172 HydrophobicContact CD1-CD1 3.29Å; L132-F172 HydrophobicContact CD1-CD2 4.48Å; L132-F172 HydrophobicContact CD1-CE1 3.79Å; L132-F172 HydrophobicContact CD1-CG 3.64Å; L132-F172 HydrophobicContact CD2-CB 4.02Å; L132-F172 HydrophobicContact CD2-CG 4.44Å; L132-F172 HydrophobicContact CG-CD1 4.48Å; L132-F172 HydrophobicContact CG-CG 4.45Å; A168-F172 PolarHBondContact O-N 3.27Å; R169-F172 PolarHBondContact O-N 2.87Å; Y170-F172 VanDerWaalsContact C-N 3.34Å; F172-I174 VanDerWaalsContact C-N 3.35Å; F172-I174 PolarHBondContact O-N 2.9Å; F172-L175 PolarHBondContact O-N 3.04Å; F172-L175 VanDerWaalsContact O-N 3.14Å; F172-C176 WeakPolarHBondContact CE1-SG 3.36Å; F172-C176 WeakPolarHBondContact CZ-SG 3.23Å; F172-C176 PolarHBondContact O-N 3.17Å; F172-C176 PolarHBondContact O-SG 2.83Å; F172-C176 VanDerWaalsContact O-SG 3.42Å
173	Q	95.3	Very high	94.5	Very high	61 Å²	61	37.9 Å²	37.9	29%	0.285	20%	0.196	S	C	.	.	H	α-helix	trans	-60.7	-42.9	179.1	-73.3	171.7	-40.7	0	0	111.9	F146 R169 Y170 V171 L175 C176 E177	F146-Q173 HydrophobicContact CD2-CB 4.26Å; F146-Q173 HydrophobicContact CE2-CB 3.44Å; F146-Q173 VanDerWaalsContact CE2-CB 3.44Å; F146-Q173 HydrophobicContact CE2-CG 4.33Å; F146-Q173 HydrophobicContact CZ-CB 3.81Å; R169-Q173 HydrophobicContact CG-CG 4.44Å; R169-Q173 VanDerWaalsContact O-CG 3.26Å; R169-Q173 WeakPolarHBondContact O-CG 3.48Å; R169-Q173 PolarHBondContact O-N 2.96Å; Y170-Q173 VanDerWaalsContact CD1-OE1 3.24Å; Y170-Q173 PolarHBondContact O-N 3.05Å; V171-Q173 PolarHBondContact O-N 3.2Å; Q173-L175 VanDerWaalsContact C-N 3.31Å; Q173-L175 PolarHBondContact O-N 3.47Å; Q173-C176 PolarHBondContact O-N 3.09Å; Q173-E177 VanDerWaalsContact O-CG 3.27Å; Q173-E177 WeakPolarHBondContact O-CG 3.39Å; Q173-E177 PolarHBondContact O-N 3.15Å
174	I	97.9	Very high	94.6	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-58.4	-44.8	174.6	-66.1	163.4	0	0	0	110.6	L144 F146 M156 I166 Y170 V171 F172 S178 L246 L249	L144-I174 HydrophobicContact CD1-CD1 3.79Å; L144-I174 HydrophobicContact CD1-CG1 4.19Å; F146-I174 HydrophobicContact CE1-CG1 4.4Å; F146-I174 HydrophobicContact CZ-CG1 3.86Å; M156-I174 HydrophobicContact SD-CD1 4.34Å; I166-I174 HydrophobicContact CD1-CD1 4.29Å; Y170-I174 VanDerWaalsContact O-CG1 3.24Å; Y170-I174 WeakPolarHBondContact O-CG1 3.37Å; Y170-I174 PolarHBondContact O-N 2.77Å; V171-I174 PolarHBondContact O-N 2.83Å; F172-I174 VanDerWaalsContact C-N 3.35Å; F172-I174 PolarHBondContact O-N 2.9Å; I174-S178 WeakPolarHBondContact O-CB 3.39Å; I174-S178 PolarHBondContact O-N 3.17Å; I174-S178 PolarHBondContact O-OG 2.89Å; I174-L246 HydrophobicContact CB-CD2 4.03Å; I174-L246 HydrophobicContact CD1-CB 4.37Å; I174-L246 HydrophobicContact CD1-CD1 4.35Å; I174-L246 HydrophobicContact CD1-CD2 4.01Å; I174-L246 HydrophobicContact CD1-CG 4.47Å; I174-L246 HydrophobicContact CG2-CD2 3.78Å; I174-L249 HydrophobicContact CG2-CB 3.89Å; I174-L249 HydrophobicContact CG2-CD1 4.29Å
175	L	97.3	Very high	94.8	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-64	-43	178.2	-67.8	174.7	0	0	0	112.1	W127 V171 F172 Q173 S178 R179 L249 C295 F296 F299	W127-L175 HydrophobicContact CH2-CB 4.34Å; W127-L175 HydrophobicContact CZ3-CB 4.08Å; V171-L175 HydrophobicContact CG1-CD1 4.38Å; V171-L175 WeakPolarHBondContact O-CG 3.09Å; V171-L175 PolarHBondContact O-N 3.2Å; V171-L175 VanDerWaalsContact O-N 3.09Å; F172-L175 PolarHBondContact O-N 3.04Å; F172-L175 VanDerWaalsContact O-N 3.14Å; Q173-L175 VanDerWaalsContact C-N 3.31Å; Q173-L175 PolarHBondContact O-N 3.47Å; L175-S178 PolarHBondContact O-N 2.9Å; L175-R179 VanDerWaalsContact O-CB 3.27Å; L175-R179 WeakPolarHBondContact O-CB 3.28Å; L175-R179 PolarHBondContact O-N 3.31Å; L175-L249 HydrophobicContact CD2-CD1 3.8Å; L175-C295 HydrophobicContact CD1-CB 3.79Å; L175-F296 HydrophobicContact CD1-CD1 4.04Å; L175-F296 HydrophobicContact CD1-CD2 4.37Å; L175-F296 HydrophobicContact CD1-CE1 4.01Å; L175-F296 HydrophobicContact CD1-CE2 4.34Å; L175-F296 HydrophobicContact CD1-CG 4.22Å; L175-F296 HydrophobicContact CD1-CZ 4.16Å; L175-F296 HydrophobicContact CD2-CD1 3.92Å; L175-F296 HydrophobicContact CD2-CE1 3.79Å; L175-F296 HydrophobicContact CG-CE1 4.35Å; L175-F299 HydrophobicContact CD2-CB 4.18Å; L175-F299 HydrophobicContact CD2-CD1 4.16Å; L175-F299 HydrophobicContact CD2-CD2 4.26Å; L175-F299 HydrophobicContact CD2-CG 3.91Å
176	C	95.2	Very high	95.2	Very high	14 Å²	14	35.5 Å²	35.5	10%	0.095	19%	0.185	C	C	.	.	H	α-helix	trans	-59.1	-51.8	176.5	-75.8	0	0	0	0	112.3	F172 Q173 S178 R179 Q180	F172-C176 WeakPolarHBondContact CE1-SG 3.36Å; F172-C176 WeakPolarHBondContact CZ-SG 3.23Å; F172-C176 PolarHBondContact O-N 3.17Å; F172-C176 PolarHBondContact O-SG 2.83Å; F172-C176 VanDerWaalsContact O-SG 3.42Å; Q173-C176 PolarHBondContact O-N 3.09Å; C176-S178 VanDerWaalsContact C-N 3.33Å; C176-R179 WeakPolarHBondContact O-CB 3.49Å; C176-R179 PolarHBondContact O-N 2.89Å; C176-Q180 WeakPolarHBondContact O-CG 3.19Å; C176-Q180 PolarHBondContact O-N 2.91Å; C176-Q180 VanDerWaalsContact O-N 3.09Å
177	E	96.4	Very high	95.4	Very high	70 Å²	70	35.8 Å²	35.8	33%	0.327	19%	0.186	S	C	.	.	H	α-helix	trans	-63.8	-42.2	179.8	-65.7	-66.9	157.1	0	0	110.6	F146 Q173 R179 Q180 C181 L253	F146-E177 HydrophobicContact CD1-CB 4.33Å; F146-E177 HydrophobicContact CD1-CG 3.61Å; F146-E177 HydrophobicContact CE1-CB 4.24Å; F146-E177 HydrophobicContact CE1-CG 3.78Å; F146-E177 HydrophobicContact CG-CG 4.13Å; F146-E177 HydrophobicContact CZ-CG 4.46Å; Q173-E177 VanDerWaalsContact O-CG 3.27Å; Q173-E177 WeakPolarHBondContact O-CG 3.39Å; Q173-E177 PolarHBondContact O-N 3.15Å; E177-R179 VanDerWaalsContact C-N 3.34Å; E177-R179 PolarHBondContact O-N 3.35Å; E177-Q180 PolarHBondContact O-N 3.46Å; E177-C181 WeakPolarHBondContact O-CB 3.32Å; E177-C181 PolarHBondContact O-N 3.44Å; E177-L253 HydrophobicContact CB-CD1 3.79Å; E177-L253 HydrophobicContact CB-CD2 3.98Å
178	S	97.6	Very high	95.6	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-64.2	-40.5	178.3	-60	0	0	0	0	111.7	I174 L175 C176 C181 I182	I174-S178 WeakPolarHBondContact O-CB 3.39Å; I174-S178 PolarHBondContact O-N 3.17Å; I174-S178 PolarHBondContact O-OG 2.89Å; L175-S178 PolarHBondContact O-N 2.9Å; C176-S178 VanDerWaalsContact C-N 3.33Å; S178-C181 PolarHBondContact O-N 2.96Å; S178-I182 WeakPolarHBondContact O-CB 3.45Å; S178-I182 VanDerWaalsContact O-CG2 3.32Å; S178-I182 WeakPolarHBondContact O-CG2 3.49Å; S178-I182 PolarHBondContact O-N 3.29Å
179	R	95.3	Very high	95.7	Very high	41 Å²	41	35.2 Å²	35.2	16%	0.155	18%	0.183	C	C	.	.	H	α-helix	trans	-58.9	-49.3	175.1	-175.8	-163.4	68.7	-178.4	-2.4	110.4	L175 C176 E177 C181 I182 M183 F299 Y302	L175-R179 VanDerWaalsContact O-CB 3.27Å; L175-R179 WeakPolarHBondContact O-CB 3.28Å; L175-R179 PolarHBondContact O-N 3.31Å; C176-R179 WeakPolarHBondContact O-CB 3.49Å; C176-R179 PolarHBondContact O-N 2.89Å; E177-R179 VanDerWaalsContact C-N 3.34Å; E177-R179 PolarHBondContact O-N 3.35Å; R179-C181 VanDerWaalsContact C-N 3.32Å; R179-C181 PolarHBondContact O-N 3.35Å; R179-I182 PolarHBondContact O-N 2.91Å; R179-M183 HydrophobicContact CG-CE 4.15Å; R179-M183 WeakPolarHBondContact O-CB 3.33Å; R179-M183 PolarHBondContact O-N 3.29Å; R179-F299 HydrophobicContact CB-CD2 4.29Å; R179-Y302 HydrophobicContact CG-CD1 3.89Å; R179-Y302 HydrophobicContact CG-CD2 3.94Å; R179-Y302 HydrophobicContact CG-CE1 3.88Å; R179-Y302 HydrophobicContact CG-CE2 3.9Å; R179-Y302 HydrophobicContact CG-CG 3.94Å
180	Q	93.5	Very high	95.9	Very high	114 Å²	114	38.3 Å²	38.3	53%	0.533	20%	0.201	S	C	.	.	H	α-helix	trans	-60.9	-41.5	178.7	-67.7	178	24.3	0	0	111.8	C176 E177	C176-Q180 WeakPolarHBondContact O-CG 3.19Å; C176-Q180 PolarHBondContact O-N 2.91Å; C176-Q180 VanDerWaalsContact O-N 3.09Å; E177-Q180 PolarHBondContact O-N 3.46Å
181	C	94.3	Very high	95.9	Very high	34 Å²	34	37.8 Å²	37.8	23%	0.23	20%	0.2	C	C	.	.	H	α-helix	trans	-65.7	-39.5	178.3	-179.9	0	0	0	0	113.2	E177 S178 R179 M252 L253	E177-C181 WeakPolarHBondContact O-CB 3.32Å; E177-C181 PolarHBondContact O-N 3.44Å; S178-C181 PolarHBondContact O-N 2.96Å; R179-C181 VanDerWaalsContact C-N 3.32Å; R179-C181 PolarHBondContact O-N 3.35Å; C181-M252 HydrophobicContact CB-CE 4.47Å; C181-L253 HydrophobicContact CB-CD2 3.86Å
182	I	95.8	Very high	95.8	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-94.4	-19.6	-170.6	-148.8	174	0	0	0	113.7	S178 R179 S184 R185 M252 F299 P304 R334	S178-I182 WeakPolarHBondContact O-CB 3.45Å; S178-I182 VanDerWaalsContact O-CG2 3.32Å; S178-I182 WeakPolarHBondContact O-CG2 3.49Å; S178-I182 PolarHBondContact O-N 3.29Å; R179-I182 PolarHBondContact O-N 2.91Å; I182-S184 PolarHBondContact O-N 3.45Å; I182-R185 HydrophobicContact CG1-CG 4.28Å; I182-R185 WeakPolarHBondContact O-CB 3.18Å; I182-R185 PolarHBondContact O-N 3.14Å; I182-M252 HydrophobicContact CB-CE 4.37Å; I182-M252 HydrophobicContact CB-SD 4.49Å; I182-M252 HydrophobicContact CD1-CE 4.46Å; I182-M252 HydrophobicContact CD1-SD 3.89Å; I182-M252 HydrophobicContact CG1-SD 4.25Å; I182-F299 HydrophobicContact CG2-CE2 4.36Å; I182-P304 HydrophobicContact CD1-CG 4.22Å; I182-P304 HydrophobicContact CG1-CG 4.13Å; I182-R334 PolarHBondContact O-NH2 3.2Å
183	M	92.9	Very high	95.7	Very high	83 Å²	83	39.9 Å²	39.9	41%	0.409	22%	0.216	S	C	.	.	H	α-helix	trans	-58.7	-34	-179.2	-176.5	-173.6	-73.4	0	0	112.8	R179 R185 Y302 F335	R179-M183 HydrophobicContact CG-CE 4.15Å; R179-M183 WeakPolarHBondContact O-CB 3.33Å; R179-M183 PolarHBondContact O-N 3.29Å; M183-R185 VanDerWaalsContact C-N 3.33Å; M183-Y302 HydrophobicContact CB-CD1 4.16Å; M183-Y302 HydrophobicContact CE-CD1 4.08Å; M183-Y302 HydrophobicContact CE-CE1 3.4Å; M183-Y302 HydrophobicContact CG-CD1 4.2Å; M183-Y302 HydrophobicContact CG-CE1 4.26Å; M183-F335 HydrophobicContact CG-CZ 4.34Å
184	S	90.3	Very high	95.2	Very high	107 Å²	107	40.9 Å²	40.9	75%	0.748	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-6.5	178.1	60.5	0	0	0	0	114.2	I182	I182-S184 PolarHBondContact O-N 3.45Å
185	R	95.7	Very high	94.5	Very high	29 Å²	29	47.1 Å²	47.1	11%	0.109	26%	0.262	C	S	.	.	S	Bend	trans	-74.7	143.2	179.4	-63.5	-167.8	-169.6	-165.8	-5.2	111.1	I182 M183 Q189 M252 P256 V259 P304 R334	I182-R185 HydrophobicContact CG1-CG 4.28Å; I182-R185 WeakPolarHBondContact O-CB 3.18Å; I182-R185 PolarHBondContact O-N 3.14Å; M183-R185 VanDerWaalsContact C-N 3.33Å; R185-Q189 VanDerWaalsContact CD-OE1 3.27Å; R185-M252 VanDerWaalsContact NH2-CG 3.34Å; R185-P256 PolarHBondContact NH2-O 3.45Å; R185-V259 PolarHBondContact NH1-O 3.4Å; R185-P304 HydrophobicContact CB-CG 4.12Å; R185-R334 PolarHBondContact O-NH1 3.13Å; R185-R334 PolarHBondContact O-NH2 3.26Å
186	P	97.1	Very high	93.9	Very high	75 Å²	75	47.5 Å²	47.5	49%	0.487	27%	0.265	S	S	.	.			trans	-64.7	162.1	171.9	30.3	-36.6	0	0	0	110.8	I188	P186-I188 VanDerWaalsContact C-N 3.3Å; P186-I188 VanDerWaalsContact CG-O 3.29Å; P186-I188 WeakPolarHBondContact CG-O 3.37Å; P186-I188 PolarHBondContact O-N 3Å
187	N	97.5	Very high	93.6	Very high	5 Å²	5	56.2 Å²	56.2	3%	0.027	30%	0.296	C	S	.	.	S	Bend	trans	-60.4	-42.3	174.8	-68	-27.8	0	0	0	111.8	P304 V305 A306 L329 G330 L332 R334	N187-P304 WeakPolarHBondContact O-CB 3.28Å; N187-V305 HydrophobicContact CB-CG1 4.41Å; N187-V305 HydrophobicContact CB-CG2 4.04Å; N187-V305 WeakPolarHBondContact O-CG2 3.36Å; N187-V305 PolarHBondContact O-N 3.45Å; N187-A306 PolarHBondContact O-N 2.6Å; N187-L329 VanDerWaalsContact CB-O 3.25Å; N187-L329 WeakPolarHBondContact CB-O 3.5Å; N187-L329 PolarHBondContact ND2-O 3.48Å; N187-G330 PolarHBondContact ND2-O 3.02Å; N187-L332 PolarHBondContact ND2-N 3.1Å; N187-L332 PolarHBondContact ND2-O 3.35Å; N187-R334 WeakPolarHBondContact OD1-CD 3.13Å; N187-R334 VanDerWaalsContact OD1-CG 3.31Å; N187-R334 WeakPolarHBondContact OD1-CG 3.34Å; N187-R334 PolarHBondContact OD1-NH1 2.87Å
188	I	98.5	Very high	93.5	Very high	18 Å²	18	54.8 Å²	54.8	9%	0.092	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	107.9	174.5	-56	169.9	0	0	0	107.4	P186 V305 A306 L308 F314 L326 L329	P186-I188 VanDerWaalsContact C-N 3.3Å; P186-I188 VanDerWaalsContact CG-O 3.29Å; P186-I188 WeakPolarHBondContact CG-O 3.37Å; P186-I188 PolarHBondContact O-N 3Å; I188-V305 HydrophobicContact CG1-CG2 4.47Å; I188-A306 WeakPolarHBondContact CA-O 3.48Å; I188-A306 HydrophobicContact CG1-CB 4.44Å; I188-L308 HydrophobicContact CG2-CB 3.98Å; I188-F314 HydrophobicContact CG2-CE2 4.34Å; I188-L326 HydrophobicContact CD1-CB 4Å; I188-L326 HydrophobicContact CD1-CD2 3.98Å; I188-L326 VanDerWaalsContact CD1-O 3.32Å; I188-L326 WeakPolarHBondContact CD1-O 3.48Å; I188-L329 HydrophobicContact CD1-CB 4.17Å
189	Q	98	Very high	93.6	Very high	5 Å²	5	54.8 Å²	54.8	2%	0.023	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	138.7	179.1	-65.6	170.4	105.6	0	0	110.3	R185 F260 I261 N262 P304 A306 T307 L308	R185-Q189 VanDerWaalsContact CD-OE1 3.27Å; Q189-F260 HydrophobicContact CB-CD1 3.93Å; Q189-F260 HydrophobicContact CG-CD1 4.45Å; Q189-I261 PolarHBondContact NE2-O 2.88Å; Q189-N262 PolarHBondContact NE2-OD1 2.95Å; Q189-P304 HydrophobicContact CG-CB 3.8Å; Q189-P304 HydrophobicContact CG-CG 3.9Å; Q189-A306 PolarHBondContact N-O 3.24Å; Q189-T307 HydrophobicContact CB-CG2 4.38Å; Q189-T307 PolarHBondContact NE2-OG1 3.01Å; Q189-T307 CarbonylContact O-C 3.51Å; Q189-T307 WeakPolarHBondContact O-CA 3.23Å; Q189-L308 PolarHBondContact O-N 3.29Å
190	M	97.2	Very high	93.7	Very high	120 Å²	120	52.8 Å²	52.8	59%	0.591	28%	0.282	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.8	117.4	173	-58.2	-52.2	-154.6	0	0	109.5	L308	M190-L308 HydrophobicContact CE-CD2 3.93Å; M190-L308 HydrophobicContact SD-CB 3.8Å; M190-L308 HydrophobicContact SD-CD2 3.79Å; M190-L308 HydrophobicContact SD-CG 4.24Å
191	A	96.6	Very high	94	Very high	5 Å²	5	47.4 Å²	47.4	4%	0.041	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	147.3	173.9	0	0	0	0	0	109.6	I199 F260 T307 L308 I309 D310	A191-I199 HydrophobicContact CB-CD1 3.61Å; A191-F260 HydrophobicContact CB-CD1 4.46Å; A191-F260 HydrophobicContact CB-CD2 3.99Å; A191-F260 HydrophobicContact CB-CE1 4.07Å; A191-F260 HydrophobicContact CB-CE2 3.58Å; A191-F260 HydrophobicContact CB-CG 4.42Å; A191-F260 HydrophobicContact CB-CZ 3.63Å; A191-T307 HydrophobicContact CB-CG2 3.77Å; A191-L308 PolarHBondContact N-O 3.32Å; A191-I309 HydrophobicContact CB-CG1 4.18Å; A191-I309 WeakPolarHBondContact O-CA 3.33Å; A191-D310 PolarHBondContact O-N 3.03Å
192	S	94.3	Very high	94.2	Very high	55 Å²	55	45.8 Å²	45.8	39%	0.385	25%	0.245	S	C	.	.			trans	-134.6	141.2	177.3	-177.4	0	0	0	0	112.5	S194 D310	S192-S194 WeakPolarHBondContact OG-CB 3.38Å; S192-S194 PolarHBondContact OG-N 3.14Å; S192-S194 VanDerWaalsContact OG-N 3.14Å; S192-S194 PolarHBondContact OG-OG 2.98Å; S192-D310 WeakPolarHBondContact CA-OD1 3.47Å; S192-D310 WeakPolarHBondContact CB-OD1 3.46Å; S192-D310 PolarHBondContact OG-OD1 3.36Å
193	T	92.4	Very high	94.3	Very high	1 Å²	1	45.8 Å²	45.8	1%	0.006	25%	0.246	C	C	.	.	S	Bend	trans	-89.3	-6.8	172	64.6	0	0	0	0	113.2	I195 S196 R197 I199 I309 D310 V443	T193-I195 VanDerWaalsContact C-N 3.28Å; T193-I195 PolarHBondContact O-N 3.12Å; T193-S196 PolarHBondContact O-N 3.08Å; T193-R197 VanDerWaalsContact O-CA 3.26Å; T193-R197 WeakPolarHBondContact O-CA 3.49Å; T193-R197 PolarHBondContact O-N 2.64Å; T193-I199 HydrophobicContact CG2-CB 4.02Å; T193-I199 HydrophobicContact CG2-CG2 3.52Å; T193-I309 HydrophobicContact CG2-CG2 4.18Å; T193-D310 VanDerWaalsContact CB-OD2 3.28Å; T193-D310 WeakPolarHBondContact CB-OD2 3.39Å; T193-D310 WeakPolarHBondContact CG2-OD2 3.17Å; T193-D310 PolarHBondContact N-OD1 3.35Å; T193-D310 PolarHBondContact N-OD2 3.46Å; T193-D310 PolarHBondContact OG1-OD2 2.84Å; T193-V443 WeakPolarHBondContact OG1-CA 3.46Å
194	S	85.4	Confident	94.6	Very high	83 Å²	83	41.9 Å²	41.9	58%	0.58	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.2	-41.6	-176.4	55.2	0	0	0	0	113.9	S192	S192-S194 WeakPolarHBondContact OG-CB 3.38Å; S192-S194 PolarHBondContact OG-N 3.14Å; S192-S194 VanDerWaalsContact OG-N 3.14Å; S192-S194 PolarHBondContact OG-OG 2.98Å
195	I	83.7	Confident	95	Very high	131 Å²	131	36.8 Å²	36.8	67%	0.672	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.8	-48.2	178.7	-60.9	174.1	0	0	0	110.8	T193 R197 V224	T193-I195 VanDerWaalsContact C-N 3.28Å; T193-I195 PolarHBondContact O-N 3.12Å; I195-R197 VanDerWaalsContact C-N 3.33Å; I195-R197 PolarHBondContact O-N 3.42Å; I195-V224 HydrophobicContact CG2-CG2 4.15Å
196	S	83.2	Confident	95.1	Very high	8 Å²	8	35.6 Å²	35.6	6%	0.056	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-17.5	-169.5	60.6	0	0	0	0	114.4	T193 Q198 V224 T225	T193-S196 PolarHBondContact O-N 3.08Å; S196-Q198 VanDerWaalsContact CB-O 3.3Å; S196-Q198 WeakPolarHBondContact CB-O 3.09Å; S196-Q198 PolarHBondContact O-N 3.29Å; S196-Q198 VanDerWaalsContact O-N 3.08Å; S196-Q198 PolarHBondContact OG-N 3.34Å; S196-Q198 PolarHBondContact OG-O 3.28Å; S196-V224 WeakPolarHBondContact CB-O 3.3Å; S196-T225 VanDerWaalsContact O-O 3.1Å
197	R	89.4	Confident	95.1	Very high	197 Å²	197	32.1 Å²	32.1	74%	0.743	16%	0.164	S	C	*	.	S	Bend	trans	66.3	-13.6	-167.3	-53	-178.7	179.4	178	-0.6	115.8	T193 I195 S442 V443	T193-R197 VanDerWaalsContact O-CA 3.26Å; T193-R197 WeakPolarHBondContact O-CA 3.49Å; T193-R197 PolarHBondContact O-N 2.64Å; I195-R197 VanDerWaalsContact C-N 3.33Å; I195-R197 PolarHBondContact O-N 3.42Å; R197-S442 WeakPolarHBondContact O-CA 3.11Å; R197-V443 HydrophobicContact CB-CG2 4.02Å; R197-V443 HydrophobicContact CG-CG2 4.48Å; R197-V443 VanDerWaalsContact O-CG2 3.31Å; R197-V443 WeakPolarHBondContact O-CG2 3.28Å; R197-V443 PolarHBondContact O-N 3.07Å
198	Q	95.4	Very high	95	Very high	39 Å²	39	33.4 Å²	33.4	18%	0.182	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	161.5	178	68.4	179.1	29.8	0	0	112.8	S196 N226 P227 R440 I441	S196-Q198 VanDerWaalsContact CB-O 3.3Å; S196-Q198 WeakPolarHBondContact CB-O 3.09Å; S196-Q198 PolarHBondContact O-N 3.29Å; S196-Q198 VanDerWaalsContact O-N 3.08Å; S196-Q198 PolarHBondContact OG-N 3.34Å; S196-Q198 PolarHBondContact OG-O 3.28Å; Q198-N226 PolarHBondContact NE2-OD1 3.1Å; Q198-P227 WeakPolarHBondContact O-CD 3.14Å; Q198-P227 VanDerWaalsContact O-CG 3.23Å; Q198-P227 WeakPolarHBondContact O-CG 3.31Å; Q198-R440 HydrophobicContact CB-CG 4.27Å; Q198-R440 VanDerWaalsContact OE1-CD 3.26Å; Q198-I441 CarbonylContact C-O 3.58Å; Q198-I441 WeakPolarHBondContact CA-O 3.49Å; Q198-I441 WeakPolarHBondContact CB-O 3.33Å
199	I	98	Very high	94.9	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	145.6	167.1	-172.8	163.7	0	0	0	109.7	A191 T193 P227 V229 F260 I309 I441	A191-I199 HydrophobicContact CB-CD1 3.61Å; T193-I199 HydrophobicContact CG2-CB 4.02Å; T193-I199 HydrophobicContact CG2-CG2 3.52Å; I199-P227 HydrophobicContact CB-CG 3.91Å; I199-P227 HydrophobicContact CD1-CB 4.17Å; I199-P227 HydrophobicContact CD1-CG 4.19Å; I199-P227 HydrophobicContact CG1-CB 4.05Å; I199-P227 HydrophobicContact CG1-CG 3.86Å; I199-V229 HydrophobicContact CD1-CG2 3.71Å; I199-V229 HydrophobicContact CG1-CG2 4.15Å; I199-F260 HydrophobicContact CD1-CD2 4.17Å; I199-F260 HydrophobicContact CD1-CE2 4.12Å; I199-I309 HydrophobicContact CD1-CD1 4.4Å; I199-I309 HydrophobicContact CD1-CG1 4.41Å; I199-I309 HydrophobicContact CG2-CD1 3.86Å; I199-I309 HydrophobicContact CG2-CG1 4.43Å; I199-I309 HydrophobicContact CG2-CG2 3.72Å; I199-I441 HydrophobicContact CG2-CB 3.94Å; I199-I441 HydrophobicContact CG2-CD1 4.14Å; I199-I441 PolarHBondContact N-O 3.22Å; I199-I441 PolarHBondContact O-N 3.18Å
200	T	98.5	Very high	94.8	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	125.1	-177	-56.8	0	0	0	0	111.3	V202 N219 P227 Y228 V229 I438 A439	T200-V202 HydrophobicContact CG2-CG2 4.39Å; T200-N219 PolarHBondContact OG1-ND2 3.2Å; T200-P227 PolarHBondContact N-O 3.06Å; T200-Y228 HydrophobicContact CG2-CD1 3.91Å; T200-Y228 HydrophobicContact CG2-CE1 3.73Å; T200-Y228 CarbonylContact O-C 3.58Å; T200-Y228 VanDerWaalsContact O-CA 3.25Å; T200-Y228 WeakPolarHBondContact O-CA 3.49Å; T200-V229 PolarHBondContact O-N 3.5Å; T200-I438 HydrophobicContact CG2-CB 4.02Å; T200-I438 HydrophobicContact CG2-CD1 3.95Å; T200-I438 HydrophobicContact CG2-CG1 4.25Å; T200-A439 CarbonylContact C-O 2.99Å; T200-A439 WeakPolarHBondContact CA-O 3.37Å
201	V	98.9	Very high	94.8	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	126.8	170.2	-175.8	0	0	0	0	109.6	V229 N231 I309 V315 I401 I438 A439 I441	V201-V229 WeakPolarHBondContact CA-O 3.39Å; V201-V229 HydrophobicContact CG2-CB 4.26Å; V201-V229 HydrophobicContact CG2-CG2 4.49Å; V201-N231 HydrophobicContact CG1-CB 4.31Å; V201-I309 HydrophobicContact CG2-CD1 4.1Å; V201-V315 HydrophobicContact CG1-CG1 3.92Å; V201-V315 HydrophobicContact CG2-CG2 4.27Å; V201-I401 HydrophobicContact CG1-CG2 4.09Å; V201-I401 HydrophobicContact CG2-CD1 4.31Å; V201-I438 WeakPolarHBondContact O-CA 3.48Å; V201-A439 HydrophobicContact CB-CB 4.43Å; V201-A439 PolarHBondContact N-O 3.37Å; V201-A439 PolarHBondContact O-N 2.98Å; V201-I441 HydrophobicContact CG2-CD1 3.83Å
202	V	98.9	Very high	94.9	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	125.3	174.4	-175.2	0	0	0	0	107.3	T200 L205 I215 Y228 V229 F230 N231 S424 I438	T200-V202 HydrophobicContact CG2-CG2 4.39Å; V202-L205 HydrophobicContact CG1-CD1 4.14Å; V202-L205 HydrophobicContact CG1-CD2 4.24Å; V202-L205 HydrophobicContact CG1-CG 4.18Å; V202-I215 HydrophobicContact CG1-CD1 3.68Å; V202-I215 HydrophobicContact CG2-CG2 4.18Å; V202-Y228 HydrophobicContact CG2-CD1 3.82Å; V202-Y228 HydrophobicContact CG2-CE1 4.28Å; V202-V229 PolarHBondContact N-O 2.94Å; V202-F230 HydrophobicContact CB-CD1 3.82Å; V202-F230 HydrophobicContact CB-CE1 4.13Å; V202-F230 HydrophobicContact CG1-CD1 4Å; V202-F230 HydrophobicContact CG1-CE1 4.2Å; V202-F230 HydrophobicContact CG2-CD1 4.1Å; V202-F230 HydrophobicContact CG2-CE1 3.94Å; V202-N231 WeakPolarHBondContact O-CB 3.35Å; V202-N231 PolarHBondContact O-N 3.25Å; V202-S424 WeakPolarHBondContact CG1-OG 3.37Å; V202-I438 HydrophobicContact CB-CG2 4.42Å; V202-I438 HydrophobicContact CG1-CG2 4.34Å; V202-I438 HydrophobicContact CG2-CG2 3.98Å
203	G	98.7	Very high	95	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.01	15%	0.146	C	C	.	.			trans	-85.2	-154.7	176.7	0	0	0	0	0	112.1	L205 S403 S424	G203-L205 PolarHBondContact O-N 3.1Å; G203-S403 VanDerWaalsContact CA-OG 3.31Å; G203-S403 WeakPolarHBondContact CA-OG 3.11Å; G203-S424 PolarHBondContact N-OG 2.95Å
204	D	98.8	Very high	95.2	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.005	16%	0.158	C	C	.	.	B	Isolated β-bridge	trans	-56.9	136.2	-175.4	-50	1.6	0	0	0	111.1	H206 D233 H317 S403 H404 F423 S424 A425	D204-H206 IonicContact OD2-NE2 3.61Å; D204-D233 HydrophobicContact CB-CB 3.89Å; D204-H317 IonicContact OD1-CE1 3.11Å; D204-H317 PolarHBondContact OD1-CE1 3.29Å; D204-H317 IonicContact OD1-ND1 3.93Å; D204-S403 WeakPolarHBondContact OD1-CB 3.25Å; D204-H404 PolarHBondContact OD1-N 2.91Å; D204-H404 WeakPolarHBondContact OD2-CA 3.36Å; D204-H404 PolarHBondContact OD2-N 2.92Å; D204-F423 HydrophobicContact CB-CD2 3.79Å; D204-F423 HydrophobicContact CB-CE2 3.57Å; D204-F423 HydrophobicContact CB-CZ 4.15Å; D204-F423 VanDerWaalsContact OD2-CD2 3.28Å; D204-F423 WeakPolarHBondContact OD2-CD2 2.97Å; D204-F423 WeakPolarHBondContact OD2-CE2 3.44Å; D204-S424 CarbonylContact O-C 3.56Å; D204-S424 WeakPolarHBondContact O-CA 3.2Å; D204-S424 WeakPolarHBondContact O-CB 3.45Å; D204-S424 PolarHBondContact O-N 3.44Å; D204-S424 VanDerWaalsContact O-N 3.1Å; D204-A425 PolarHBondContact O-N 3.45Å
205	L	98.5	Very high	95.8	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.131	C	C	.	.			trans	-116.7	-29.2	178.4	-74.5	169.7	0	0	0	112.5	V202 G203 G207 Q208 D211 L212 I215 F230 D233 T244 I248	V202-L205 HydrophobicContact CG1-CD1 4.14Å; V202-L205 HydrophobicContact CG1-CD2 4.24Å; V202-L205 HydrophobicContact CG1-CG 4.18Å; G203-L205 PolarHBondContact O-N 3.1Å; L205-G207 VanDerWaalsContact C-N 3.33Å; L205-G207 PolarHBondContact O-N 3.27Å; L205-Q208 WeakPolarHBondContact O-CB 3.31Å; L205-Q208 WeakPolarHBondContact O-CG 3.44Å; L205-Q208 PolarHBondContact O-N 2.67Å; L205-D211 HydrophobicContact CD2-CB 4.25Å; L205-L212 HydrophobicContact CD1-CB 4.3Å; L205-L212 HydrophobicContact CD1-CD1 4.12Å; L205-L212 HydrophobicContact CD2-CB 4.42Å; L205-I215 HydrophobicContact CD2-CD1 3.94Å; L205-F230 HydrophobicContact CD1-CD1 4.35Å; L205-D233 PolarHBondContact N-O 2.95Å; L205-T244 HydrophobicContact CB-CG2 3.98Å; L205-T244 HydrophobicContact CD1-CG2 3.93Å; L205-I248 HydrophobicContact CD1-CD1 3.85Å
206	H	97.6	Very high	96.4	Very high	4 Å²	4	21.3 Å²	21.3	2%	0.019	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	44.4	52.5	174.6	-73.8	-55.1	0	0	0	114.2	D204 Q208 D233 V235 D236 R237 G238 H266 Y428	D204-H206 IonicContact OD2-NE2 3.61Å; H206-Q208 PolarHBondContact O-N 3.12Å; H206-D233 IonicContact CE1-OD2 3.96Å; H206-D233 PolarHBondContact CE1-OD2 2.86Å; H206-D233 VanDerWaalsContact CE1-OD2 3.24Å; H206-D233 PolarHBondContact N-O 3.45Å; H206-D233 IonicContact NE2-OD2 2.61Å; H206-V235 WeakPolarHBondContact CA-O 3.33Å; H206-V235 PolarHBondContact ND1-O 3.41Å; H206-D236 CarbonylContact C-O 3.46Å; H206-D236 VanDerWaalsContact CA-O 3.27Å; H206-D236 WeakPolarHBondContact CA-O 3.49Å; H206-D236 WeakPolarHBondContact CB-O 3.3Å; H206-R237 HydrophobicContact CB-CB 4.03Å; H206-R237 HydrophobicContact CB-CG 4.24Å; H206-G238 WeakPolarHBondContact O-CA 3.26Å; H206-G238 PolarHBondContact O-N 3.34Å; H206-H266 AromaticContact CE1-CD2 3.44Å; H206-H266 PolarHBondContact CE1-CD2 2.78Å; H206-H266 VanDerWaalsContact CE1-CD2 3.44Å; H206-H266 AromaticContact CE1-CG 3.86Å; H206-H266 AromaticContact CE1-NE2 3.6Å; H206-Y428 HydrophobicContact CB-CE2 4.22Å; H206-Y428 AromaticContact CD2-CE2 3.45Å; H206-Y428 VanDerWaalsContact CD2-CE2 3.45Å; H206-Y428 WeakPolarHBondContact CD2-CE2 3.36Å
207	G	96.9	Very high	97	Very high	2 Å²	2	30 Å²	30	2%	0.021	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.7	16.6	179.5	0	0	0	0	0	115.5	L205 F209 F234 K240	L205-G207 VanDerWaalsContact C-N 3.33Å; L205-G207 PolarHBondContact O-N 3.27Å; G207-F209 VanDerWaalsContact C-N 3.26Å; G207-F209 PolarHBondContact O-N 3.28Å; G207-F209 VanDerWaalsContact O-N 3.08Å; G207-F234 PolarHBondContact N-O 2.78Å; G207-K240 CarbonylContact O-C 3.52Å; G207-K240 WeakPolarHBondContact O-CA 3.14Å; G207-K240 WeakPolarHBondContact O-CB 3.24Å; G207-K240 PolarHBondContact O-N 3.29Å; G207-K240 VanDerWaalsContact O-N 3.13Å
208	Q	95.4	Very high	97.2	Very high	31 Å²	31	27.5 Å²	27.5	15%	0.145	13%	0.128	C	C	.	.			trans	-84	68.9	174.1	-59.9	-167.6	-132.5	0	0	110.7	L205 H206 S210 D211 L212 A425 S426	L205-Q208 WeakPolarHBondContact O-CB 3.31Å; L205-Q208 WeakPolarHBondContact O-CG 3.44Å; L205-Q208 PolarHBondContact O-N 2.67Å; H206-Q208 PolarHBondContact O-N 3.12Å; Q208-S210 PolarHBondContact O-N 3.16Å; Q208-D211 HydrophobicContact CB-CB 4.3Å; Q208-D211 WeakPolarHBondContact CB-OD2 3.48Å; Q208-D211 PolarHBondContact NE2-OD2 3.48Å; Q208-D211 WeakPolarHBondContact O-CB 3.27Å; Q208-D211 PolarHBondContact O-N 3.01Å; Q208-L212 PolarHBondContact O-N 2.95Å; Q208-A425 HydrophobicContact CG-CB 4.4Å; Q208-S426 PolarHBondContact NE2-O 2.72Å
209	F	96.6	Very high	97.2	Very high	2 Å²	2	26.1 Å²	26.1	1%	0.009	12%	0.121	C	C	.	.	H	α-helix	trans	-52.4	-34	-175.1	-175.6	-112.6	0	0	0	114.1	M157 F160 V161 G207 D211 L212 Q213 K240 E243 T244 T247	M157-F209 HydrophobicContact CB-CZ 4.18Å; M157-F209 HydrophobicContact CG-CZ 4.11Å; F160-F209 HydrophobicContact CB-CD1 4.33Å; F160-F209 HydrophobicContact CB-CE1 3.7Å; F160-F209 HydrophobicContact CB-CZ 4Å; F160-F209 HydrophobicContact CD2-CE1 4.33Å; F160-F209 HydrophobicContact CD2-CE2 4.05Å; F160-F209 AromaticContact CD2-CZ 3.78Å; F160-F209 HydrophobicContact CD2-CZ 3.78Å; F160-F209 HydrophobicContact CG-CZ 4.42Å; V161-F209 HydrophobicContact CG2-CE1 4.45Å; G207-F209 VanDerWaalsContact C-N 3.26Å; G207-F209 PolarHBondContact O-N 3.28Å; G207-F209 VanDerWaalsContact O-N 3.08Å; F209-D211 VanDerWaalsContact C-N 3.27Å; F209-D211 PolarHBondContact O-N 3.38Å; F209-L212 HydrophobicContact CD2-CD2 4.28Å; F209-L212 HydrophobicContact CE2-CD2 4.32Å; F209-L212 WeakPolarHBondContact O-CB 3.47Å; F209-L212 PolarHBondContact O-N 3.35Å; F209-Q213 HydrophobicContact CD1-CG 4.01Å; F209-Q213 HydrophobicContact CE1-CG 3.68Å; F209-Q213 HydrophobicContact CE2-CG 4.44Å; F209-Q213 HydrophobicContact CZ-CG 3.91Å; F209-Q213 WeakPolarHBondContact O-CG 3.44Å; F209-Q213 PolarHBondContact O-N 2.94Å; F209-K240 HydrophobicContact CB-CB 3.69Å; F209-K240 HydrophobicContact CB-CD 3.85Å; F209-K240 HydrophobicContact CB-CG 4.42Å; F209-K240 HydrophobicContact CD1-CD 4.32Å; F209-K240 HydrophobicContact CG-CD 4.42Å; F209-E243 HydrophobicContact CD2-CB 3.99Å; F209-E243 HydrophobicContact CE2-CB 4.35Å; F209-E243 HydrophobicContact CG-CB 4.17Å; F209-T244 WeakPolarHBondContact CA-OG1 3.22Å; F209-T244 PolarHBondContact N-OG1 2.91Å; F209-T247 HydrophobicContact CE2-CG2 4.36Å; F209-T247 WeakPolarHBondContact CE2-OG1 3.28Å
210	S	95.9	Very high	97.1	Very high	54 Å²	54	27.5 Å²	27.5	38%	0.378	14%	0.136	S	C	.	.	H	α-helix	trans	-61.5	-33.5	175.7	49	0	0	0	0	113.4	Q208 Q213 I214 T454	Q208-S210 PolarHBondContact O-N 3.16Å; S210-Q213 PolarHBondContact O-N 3.35Å; S210-I214 WeakPolarHBondContact O-CG1 3.42Å; S210-I214 PolarHBondContact O-N 3.31Å; S210-T454 WeakPolarHBondContact O-CG2 3.29Å
211	D	97.7	Very high	97	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-68.9	-45.1	176.9	-68.2	-46.1	0	0	0	109.7	L205 Q208 F209 Q213 I214 I215 S426 Y452 T454	L205-D211 HydrophobicContact CD2-CB 4.25Å; Q208-D211 HydrophobicContact CB-CB 4.3Å; Q208-D211 WeakPolarHBondContact CB-OD2 3.48Å; Q208-D211 PolarHBondContact NE2-OD2 3.48Å; Q208-D211 WeakPolarHBondContact O-CB 3.27Å; Q208-D211 PolarHBondContact O-N 3.01Å; F209-D211 VanDerWaalsContact C-N 3.27Å; F209-D211 PolarHBondContact O-N 3.38Å; D211-Q213 VanDerWaalsContact C-N 3.29Å; D211-Q213 PolarHBondContact O-N 3.46Å; D211-I214 PolarHBondContact O-N 3.34Å; D211-I214 VanDerWaalsContact O-N 3.14Å; D211-I215 VanDerWaalsContact O-CG1 3.32Å; D211-I215 WeakPolarHBondContact O-CG1 3.41Å; D211-I215 PolarHBondContact O-N 3.46Å; D211-S426 WeakPolarHBondContact OD1-CB 3.46Å; D211-S426 PolarHBondContact OD1-OG 2.92Å; D211-S426 PolarHBondContact OD2-N 3.01Å; D211-Y452 HydrophobicContact CB-CE2 3.84Å; D211-Y452 WeakPolarHBondContact OD1-CE2 3.45Å; D211-T454 HydrophobicContact CB-CG2 4.34Å; D211-T454 WeakPolarHBondContact OD1-CB 3.31Å; D211-T454 WeakPolarHBondContact OD1-CG2 3.47Å; D211-T454 PolarHBondContact OD1-OG1 3.19Å
212	L	98.1	Very high	96.9	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-56.1	-44	173.1	178.2	60.8	0	0	0	111.6	L205 Q208 F209 I214 I215 L216 F230 T244 T247 I248	L205-L212 HydrophobicContact CD1-CB 4.3Å; L205-L212 HydrophobicContact CD1-CD1 4.12Å; L205-L212 HydrophobicContact CD2-CB 4.42Å; Q208-L212 PolarHBondContact O-N 2.95Å; F209-L212 HydrophobicContact CD2-CD2 4.28Å; F209-L212 HydrophobicContact CE2-CD2 4.32Å; F209-L212 WeakPolarHBondContact O-CB 3.47Å; F209-L212 PolarHBondContact O-N 3.35Å; L212-I214 PolarHBondContact O-N 2.96Å; L212-I215 PolarHBondContact O-N 3.4Å; L212-L216 HydrophobicContact CD1-CD1 3.93Å; L212-L216 HydrophobicContact CD1-CG 4.05Å; L212-L216 HydrophobicContact CG-CD1 3.97Å; L212-L216 HydrophobicContact CG-CG 4.47Å; L212-L216 VanDerWaalsContact O-CG 3.3Å; L212-L216 WeakPolarHBondContact O-CG 3.27Å; L212-L216 PolarHBondContact O-N 3.23Å; L212-F230 HydrophobicContact CD1-CE1 3.68Å; L212-F230 HydrophobicContact CD1-CZ 4.22Å; L212-T244 HydrophobicContact CD2-CG2 4.1Å; L212-T247 HydrophobicContact CD2-CG2 3.89Å; L212-I248 HydrophobicContact CD1-CG1 4.37Å; L212-I248 HydrophobicContact CD2-CD1 4.41Å; L212-I248 HydrophobicContact CD2-CG1 3.96Å
213	Q	96.9	Very high	96.7	Very high	53 Å²	53	32.8 Å²	32.8	25%	0.248	16%	0.163	C	C	.	.	H	α-helix	trans	-61.7	-44.2	176.7	-68.6	-175.1	-74.1	0	0	112.5	M157 F209 S210 D211 I215 L216 Y217	M157-Q213 HydrophobicContact CE-CG 4.19Å; F209-Q213 HydrophobicContact CD1-CG 4.01Å; F209-Q213 HydrophobicContact CE1-CG 3.68Å; F209-Q213 HydrophobicContact CE2-CG 4.44Å; F209-Q213 HydrophobicContact CZ-CG 3.91Å; F209-Q213 WeakPolarHBondContact O-CG 3.44Å; F209-Q213 PolarHBondContact O-N 2.94Å; S210-Q213 PolarHBondContact O-N 3.35Å; D211-Q213 VanDerWaalsContact C-N 3.29Å; D211-Q213 PolarHBondContact O-N 3.46Å; Q213-I215 VanDerWaalsContact C-N 3.35Å; Q213-L216 PolarHBondContact O-N 2.86Å; Q213-Y217 WeakPolarHBondContact O-CB 3.36Å; Q213-Y217 PolarHBondContact O-N 3.04Å
214	I	96.2	Very high	96.4	Very high	50 Å²	50	36 Å²	36	26%	0.256	18%	0.182	S	C	.	.	H	α-helix	trans	-64.2	-41.7	177.1	-72.6	-164.9	0	0	0	110.9	S210 D211 L212 Y217 K218 Y452 T454	S210-I214 WeakPolarHBondContact O-CG1 3.42Å; S210-I214 PolarHBondContact O-N 3.31Å; D211-I214 PolarHBondContact O-N 3.34Å; D211-I214 VanDerWaalsContact O-N 3.14Å; L212-I214 PolarHBondContact O-N 2.96Å; I214-Y217 PolarHBondContact O-N 3.25Å; I214-K218 HydrophobicContact CG2-CG 4.03Å; I214-K218 VanDerWaalsContact O-CB 3.27Å; I214-K218 WeakPolarHBondContact O-CB 3.44Å; I214-K218 WeakPolarHBondContact O-CG 3.33Å; I214-K218 PolarHBondContact O-N 3.24Å; I214-Y452 HydrophobicContact CB-CD2 4.48Å; I214-Y452 HydrophobicContact CG2-CD2 3.92Å; I214-Y452 HydrophobicContact CG2-CG 3.94Å; I214-T454 HydrophobicContact CB-CG2 4.32Å; I214-T454 HydrophobicContact CD1-CG2 3.33Å; I214-T454 HydrophobicContact CG1-CG2 3.81Å
215	I	98.2	Very high	96.1	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.005	21%	0.206	C	C	.	.	H	α-helix	trans	-56.4	-56	175.9	-69.7	160.8	0	0	0	109.8	V202 L205 D211 L212 Q213 Y217 K218 N219 Y228 I438 Y452	V202-I215 HydrophobicContact CG1-CD1 3.68Å; V202-I215 HydrophobicContact CG2-CG2 4.18Å; L205-I215 HydrophobicContact CD2-CD1 3.94Å; D211-I215 VanDerWaalsContact O-CG1 3.32Å; D211-I215 WeakPolarHBondContact O-CG1 3.41Å; D211-I215 PolarHBondContact O-N 3.46Å; L212-I215 PolarHBondContact O-N 3.4Å; Q213-I215 VanDerWaalsContact C-N 3.35Å; I215-Y217 VanDerWaalsContact C-N 3.29Å; I215-Y217 PolarHBondContact O-N 3.35Å; I215-K218 PolarHBondContact O-N 3.41Å; I215-N219 WeakPolarHBondContact O-CA 3.48Å; I215-N219 WeakPolarHBondContact O-CB 3.43Å; I215-N219 PolarHBondContact O-N 2.98Å; I215-Y228 HydrophobicContact CG2-CE1 4.02Å; I215-I438 HydrophobicContact CD1-CG2 3.88Å; I215-I438 HydrophobicContact CG1-CG2 3.81Å; I215-I438 HydrophobicContact CG2-CD1 4.1Å; I215-I438 HydrophobicContact CG2-CG2 4.15Å; I215-Y452 HydrophobicContact CD1-CE1 4.21Å; I215-Y452 WeakPolarHBondContact CD1-OH 3.35Å; I215-Y452 HydrophobicContact CG1-CE1 3.59Å; I215-Y452 VanDerWaalsContact CG1-OH 3.3Å; I215-Y452 WeakPolarHBondContact CG1-OH 3.25Å
216	L	97.6	Very high	96	Very high	5 Å²	5	40.5 Å²	40.5	3%	0.026	21%	0.209	C	C	.	.	H	α-helix	trans	-63.5	-36	-177.1	-66.9	175	0	0	0	112.2	M157 L212 Q213 G220 M221 P222 T247 L251	M157-L216 HydrophobicContact CE-CD1 3.84Å; L212-L216 HydrophobicContact CD1-CD1 3.93Å; L212-L216 HydrophobicContact CD1-CG 4.05Å; L212-L216 HydrophobicContact CG-CD1 3.97Å; L212-L216 HydrophobicContact CG-CG 4.47Å; L212-L216 VanDerWaalsContact O-CG 3.3Å; L212-L216 WeakPolarHBondContact O-CG 3.27Å; L212-L216 PolarHBondContact O-N 3.23Å; Q213-L216 PolarHBondContact O-N 2.86Å; L216-G220 CarbonylContact O-C 3.32Å; L216-G220 WeakPolarHBondContact O-CA 3.36Å; L216-G220 PolarHBondContact O-N 3.45Å; L216-M221 HydrophobicContact CB-SD 3.89Å; L216-M221 HydrophobicContact CD1-SD 4.32Å; L216-M221 HydrophobicContact CD2-SD 4.37Å; L216-M221 HydrophobicContact CG-SD 4.43Å; L216-P222 HydrophobicContact CD2-CG 4.42Å; L216-T247 HydrophobicContact CD1-CG2 4.36Å; L216-L251 HydrophobicContact CD1-CD1 3.84Å; L216-L251 HydrophobicContact CD2-CD1 4.11Å
217	Y	95	Very high	96	Very high	189 Å²	189	40.6 Å²	40.6	74%	0.741	21%	0.21	S	C	*	.	H	α-helix	trans	-69.3	-43.5	176.1	176.9	-104.4	0	0	0	112.8	Q213 I214 I215	Q213-Y217 WeakPolarHBondContact O-CB 3.36Å; Q213-Y217 PolarHBondContact O-N 3.04Å; I214-Y217 PolarHBondContact O-N 3.25Å; I215-Y217 VanDerWaalsContact C-N 3.29Å; I215-Y217 PolarHBondContact O-N 3.35Å
218	K	93.8	Very high	96.1	Very high	146 Å²	146	40.5 Å²	40.5	64%	0.635	21%	0.209	S	C	*	.	H	α-helix	trans	-82.6	-32	-175.9	-70.9	-67.1	-176.3	-177.5	0	113.5	I214 I215	I214-K218 HydrophobicContact CG2-CG 4.03Å; I214-K218 VanDerWaalsContact O-CB 3.27Å; I214-K218 WeakPolarHBondContact O-CB 3.44Å; I214-K218 WeakPolarHBondContact O-CG 3.33Å; I214-K218 PolarHBondContact O-N 3.24Å; I215-K218 PolarHBondContact O-N 3.41Å
219	N	95.7	Very high	96.2	Very high	9 Å²	9	39 Å²	39	5%	0.048	20%	0.202	C	C	.	.	H	α-helix	trans	-105	-6.3	-174.2	-160.2	77.1	0	0	0	112.2	T200 I215 N226 Y228 I438 R440 I450	T200-N219 PolarHBondContact OG1-ND2 3.2Å; I215-N219 WeakPolarHBondContact O-CA 3.48Å; I215-N219 WeakPolarHBondContact O-CB 3.43Å; I215-N219 PolarHBondContact O-N 2.98Å; N219-N226 PolarHBondContact O-ND2 2.88Å; N219-Y228 VanDerWaalsContact CB-OH 3.26Å; N219-Y228 WeakPolarHBondContact CB-OH 3.13Å; N219-Y228 WeakPolarHBondContact ND2-CE1 3.36Å; N219-Y228 PolarHBondContact ND2-OH 2.97Å; N219-Y228 PolarHBondContact O-OH 3.23Å; N219-I438 HydrophobicContact CB-CD1 3.84Å; N219-R440 VanDerWaalsContact OD1-CZ 3.28Å; N219-R440 PolarHBondContact OD1-NE 3.25Å; N219-R440 VanDerWaalsContact OD1-NE 3.12Å; N219-R440 PolarHBondContact OD1-NH2 3.49Å; N219-I450 WeakPolarHBondContact OD1-CD1 3.04Å
220	G	95.9	Very high	96.3	Very high	30 Å²	30	39 Å²	39	31%	0.309	20%	0.202	S	C	.	.			trans	87.5	155.2	179.4	0	0	0	0	0	112.8	L216 N226 Y228	L216-G220 CarbonylContact O-C 3.32Å; L216-G220 WeakPolarHBondContact O-CA 3.36Å; L216-G220 PolarHBondContact O-N 3.45Å; G220-N226 PolarHBondContact O-ND2 3.13Å; G220-Y228 WeakPolarHBondContact O-CE2 3.21Å; G220-Y228 PolarHBondContact O-OH 3.24Å
221	M	96.5	Very high	96.5	Very high	66 Å²	66	36.4 Å²	36.4	33%	0.325	18%	0.184	S	C	.	.			trans	-64.8	156.6	175.3	-62.3	-60.5	-80.8	0	0	111	M150 M157 L216 D223 N226 L251	M150-M221 HydrophobicContact CE-CB 4.11Å; M150-M221 HydrophobicContact CE-CE 3.48Å; M150-M221 VanDerWaalsContact CE-CE 3.48Å; M150-M221 HydrophobicContact CE-CG 4.07Å; M157-M221 HydrophobicContact SD-CE 4.26Å; L216-M221 HydrophobicContact CB-SD 3.89Å; L216-M221 HydrophobicContact CD1-SD 4.32Å; L216-M221 HydrophobicContact CD2-SD 4.37Å; L216-M221 HydrophobicContact CG-SD 4.43Å; M221-D223 PolarHBondContact O-N 2.99Å; M221-N226 PolarHBondContact O-ND2 3.38Å; M221-N226 VanDerWaalsContact O-ND2 3.16Å; M221-L251 HydrophobicContact CE-CD2 3.58Å
222	P	96.6	Very high	96.5	Very high	3 Å²	3	36.4 Å²	36.4	2%	0.019	18%	0.184	C	C	.	.			trans	-57.8	133.2	173.5	-24.9	34.7	0	0	0	111.9	L216 N226 Y228 L251 V259	L216-P222 HydrophobicContact CD2-CG 4.42Å; P222-N226 WeakPolarHBondContact CA-O 3.34Å; P222-Y228 HydrophobicContact CB-CD2 3.95Å; P222-Y228 HydrophobicContact CB-CE2 4.38Å; P222-Y228 HydrophobicContact CG-CD2 3.72Å; P222-Y228 HydrophobicContact CG-CE2 4.02Å; P222-L251 HydrophobicContact CG-CB 4.26Å; P222-L251 HydrophobicContact CG-CD1 4.09Å; P222-L251 HydrophobicContact CG-CD2 4.36Å; P222-L251 HydrophobicContact CG-CG 4.46Å; P222-V259 HydrophobicContact CB-CG2 3.47Å; P222-V259 VanDerWaalsContact CB-CG2 3.47Å; P222-V259 HydrophobicContact CG-CG2 3.75Å
223	D	94	Very high	96.5	Very high	42 Å²	42	36.5 Å²	36.5	23%	0.225	19%	0.185	C	C	.	.	B	Isolated β-bridge	trans	-150.9	166.2	178.8	-176.9	68.5	0	0	0	109.1	M221 T225 N226 R255 S258	M221-D223 PolarHBondContact O-N 2.99Å; D223-T225 PolarHBondContact O-N 3.11Å; D223-T225 VanDerWaalsContact O-N 3.15Å; D223-T225 PolarHBondContact OD2-N 3.29Å; D223-T225 PolarHBondContact OD2-OG1 3.42Å; D223-N226 HydrophobicContact CB-CB 4.33Å; D223-N226 PolarHBondContact N-O 3.25Å; D223-N226 CarbonylContact O-C 3.16Å; D223-N226 WeakPolarHBondContact O-CA 3.26Å; D223-N226 PolarHBondContact O-N 3.4Å; D223-R255 IonicContact OD1-CZ 3.59Å; D223-R255 IonicContact OD1-NH1 3.55Å; D223-R255 PolarHBondContact OD1-NH1 3.3Å; D223-R255 IonicContact OD1-NH2 3.2Å; D223-R255 PolarHBondContact OD1-NH2 2.86Å; D223-S258 VanDerWaalsContact O-CB 3.29Å; D223-S258 WeakPolarHBondContact O-CB 3.42Å; D223-S258 PolarHBondContact O-OG 3.3Å
224	V	91.8	Very high	96.6	Very high	68 Å²	68	34 Å²	34	41%	0.412	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-27.9	173.9	69.6	0	0	0	0	111.9	I195 S196 S258	I195-V224 HydrophobicContact CG2-CG2 4.15Å; S196-V224 WeakPolarHBondContact CB-O 3.3Å; V224-S258 WeakPolarHBondContact CA-OG 3.11Å; V224-S258 PolarHBondContact N-OG 2.99Å
225	T	93.2	Very high	96.7	Very high	82 Å²	82	31.6 Å²	31.6	50%	0.503	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-4.5	174.2	62.4	0	0	0	0	114.3	S196 D223	S196-T225 VanDerWaalsContact O-O 3.1Å; D223-T225 PolarHBondContact O-N 3.11Å; D223-T225 VanDerWaalsContact O-N 3.15Å; D223-T225 PolarHBondContact OD2-N 3.29Å; D223-T225 PolarHBondContact OD2-OG1 3.42Å
226	N	95.5	Very high	96.5	Very high	13 Å²	13	31.5 Å²	31.5	7%	0.07	16%	0.16	C	C	.	.	B	Isolated β-bridge	trans	-145.7	65.5	-177.6	-168.2	39.6	0	0	0	112	Q198 N219 G220 M221 P222 D223 Y228	Q198-N226 PolarHBondContact NE2-OD1 3.1Å; N219-N226 PolarHBondContact O-ND2 2.88Å; G220-N226 PolarHBondContact O-ND2 3.13Å; M221-N226 PolarHBondContact O-ND2 3.38Å; M221-N226 VanDerWaalsContact O-ND2 3.16Å; P222-N226 WeakPolarHBondContact CA-O 3.34Å; D223-N226 HydrophobicContact CB-CB 4.33Å; D223-N226 PolarHBondContact N-O 3.25Å; D223-N226 CarbonylContact O-C 3.16Å; D223-N226 WeakPolarHBondContact O-CA 3.26Å; D223-N226 PolarHBondContact O-N 3.4Å; N226-Y228 WeakPolarHBondContact ND2-CE2 3.38Å; N226-Y228 VanDerWaalsContact O-CD2 3.28Å; N226-Y228 WeakPolarHBondContact O-CD2 3.43Å; N226-Y228 WeakPolarHBondContact O-CE2 3.4Å
227	P	98.1	Very high	96.1	Very high	6 Å²	6	35.1 Å²	35.1	4%	0.039	17%	0.173	C	C	.	.			trans	-73.3	155.7	179.9	28.6	-34.5	0	0	0	113	Q198 I199 T200 S258 F260	Q198-P227 WeakPolarHBondContact O-CD 3.14Å; Q198-P227 VanDerWaalsContact O-CG 3.23Å; Q198-P227 WeakPolarHBondContact O-CG 3.31Å; I199-P227 HydrophobicContact CB-CG 3.91Å; I199-P227 HydrophobicContact CD1-CB 4.17Å; I199-P227 HydrophobicContact CD1-CG 4.19Å; I199-P227 HydrophobicContact CG1-CB 4.05Å; I199-P227 HydrophobicContact CG1-CG 3.86Å; T200-P227 PolarHBondContact N-O 3.06Å; P227-S258 CarbonylContact C-O 3.11Å; P227-S258 WeakPolarHBondContact CA-O 3.44Å; P227-S258 WeakPolarHBondContact CB-O 3.5Å; P227-F260 HydrophobicContact CB-CE2 4.43Å
228	Y	98.7	Very high	95.9	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	142.3	-179.1	-75.1	-97.1	0	0	0	112.2	T200 V202 I215 N219 G220 P222 N226 F230 S258 F260	T200-Y228 HydrophobicContact CG2-CD1 3.91Å; T200-Y228 HydrophobicContact CG2-CE1 3.73Å; T200-Y228 CarbonylContact O-C 3.58Å; T200-Y228 VanDerWaalsContact O-CA 3.25Å; T200-Y228 WeakPolarHBondContact O-CA 3.49Å; V202-Y228 HydrophobicContact CG2-CD1 3.82Å; V202-Y228 HydrophobicContact CG2-CE1 4.28Å; I215-Y228 HydrophobicContact CG2-CE1 4.02Å; N219-Y228 VanDerWaalsContact CB-OH 3.26Å; N219-Y228 WeakPolarHBondContact CB-OH 3.13Å; N219-Y228 WeakPolarHBondContact ND2-CE1 3.36Å; N219-Y228 PolarHBondContact ND2-OH 2.97Å; N219-Y228 PolarHBondContact O-OH 3.23Å; G220-Y228 WeakPolarHBondContact O-CE2 3.21Å; G220-Y228 PolarHBondContact O-OH 3.24Å; P222-Y228 HydrophobicContact CB-CD2 3.95Å; P222-Y228 HydrophobicContact CB-CE2 4.38Å; P222-Y228 HydrophobicContact CG-CD2 3.72Å; P222-Y228 HydrophobicContact CG-CE2 4.02Å; N226-Y228 WeakPolarHBondContact ND2-CE2 3.38Å; N226-Y228 VanDerWaalsContact O-CD2 3.28Å; N226-Y228 WeakPolarHBondContact O-CD2 3.43Å; N226-Y228 WeakPolarHBondContact O-CE2 3.4Å; Y228-F230 HydrophobicContact CD1-CZ 4.25Å; Y228-F230 HydrophobicContact CG-CE2 4.26Å; Y228-F230 HydrophobicContact CG-CZ 4.33Å; Y228-S258 PolarHBondContact N-O 3.45Å; Y228-F260 WeakPolarHBondContact O-CD2 3.48Å; Y228-F260 PolarHBondContact O-N 3.02Å
229	V	98.8	Very high	95.8	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	114.4	163.1	-174.2	0	0	0	0	107.8	I199 T200 V201 V202 F260 T307 I309 V315	I199-V229 HydrophobicContact CD1-CG2 3.71Å; I199-V229 HydrophobicContact CG1-CG2 4.15Å; T200-V229 PolarHBondContact O-N 3.5Å; V201-V229 WeakPolarHBondContact CA-O 3.39Å; V201-V229 HydrophobicContact CG2-CB 4.26Å; V201-V229 HydrophobicContact CG2-CG2 4.49Å; V202-V229 PolarHBondContact N-O 2.94Å; V229-F260 CarbonylContact C-O 3.37Å; V229-F260 WeakPolarHBondContact CA-O 3.39Å; V229-F260 HydrophobicContact CB-CB 4.48Å; V229-F260 HydrophobicContact CG1-CB 4.41Å; V229-F260 HydrophobicContact CG2-CB 4.16Å; V229-F260 HydrophobicContact CG2-CD2 4.24Å; V229-T307 HydrophobicContact CG1-CG2 4.39Å; V229-T307 HydrophobicContact CG2-CG2 3.95Å; V229-I309 HydrophobicContact CG2-CD1 4.26Å; V229-V315 HydrophobicContact CG1-CG1 4.23Å
230	F	98.9	Very high	95.8	Very high	1 Å²	1	33.3 Å²	33.3	0%	0.004	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	111	172	-68	-84.1	0	0	0	108.9	V202 L205 L212 Y228 G232 F234 I248 V259 F260 I261 N262	V202-F230 HydrophobicContact CB-CD1 3.82Å; V202-F230 HydrophobicContact CB-CE1 4.13Å; V202-F230 HydrophobicContact CG1-CD1 4Å; V202-F230 HydrophobicContact CG1-CE1 4.2Å; V202-F230 HydrophobicContact CG2-CD1 4.1Å; V202-F230 HydrophobicContact CG2-CE1 3.94Å; L205-F230 HydrophobicContact CD1-CD1 4.35Å; L212-F230 HydrophobicContact CD1-CE1 3.68Å; L212-F230 HydrophobicContact CD1-CZ 4.22Å; Y228-F230 HydrophobicContact CD1-CZ 4.25Å; Y228-F230 HydrophobicContact CG-CE2 4.26Å; Y228-F230 HydrophobicContact CG-CZ 4.33Å; F230-G232 PolarHBondContact O-N 3.44Å; F230-F234 HydrophobicContact CB-CE1 3.71Å; F230-F234 HydrophobicContact CB-CZ 4.15Å; F230-I248 HydrophobicContact CB-CG2 4.2Å; F230-I248 HydrophobicContact CD1-CD1 3.84Å; F230-I248 HydrophobicContact CD1-CG1 4.02Å; F230-I248 HydrophobicContact CD1-CG2 4.42Å; F230-I248 HydrophobicContact CD2-CG2 3.77Å; F230-I248 HydrophobicContact CE1-CD1 4.25Å; F230-I248 HydrophobicContact CE1-CG1 4.03Å; F230-I248 HydrophobicContact CE2-CG2 4.22Å; F230-I248 HydrophobicContact CG-CD1 4.25Å; F230-I248 HydrophobicContact CG-CG1 4.33Å; F230-I248 HydrophobicContact CG-CG2 3.88Å; F230-I248 HydrophobicContact CZ-CG1 4.33Å; F230-V259 HydrophobicContact CD2-CG1 3.86Å; F230-V259 HydrophobicContact CE2-CG1 3.87Å; F230-F260 PolarHBondContact N-O 3.43Å; F230-I261 WeakPolarHBondContact O-CA 3.35Å; F230-N262 PolarHBondContact O-N 2.95Å
231	N	98.8	Very high	96	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	58.1	-162.3	-164.8	41.4	0	0	0	113.7	V201 V202 N262 V315 C316 H317 S403	V201-N231 HydrophobicContact CG1-CB 4.31Å; V202-N231 WeakPolarHBondContact O-CB 3.35Å; V202-N231 PolarHBondContact O-N 3.25Å; N231-N262 PolarHBondContact OD1-ND2 3.1Å; N231-V315 HydrophobicContact CB-CG1 4.31Å; N231-C316 PolarHBondContact ND2-O 2.99Å; N231-C316 PolarHBondContact OD1-O 3.35Å; N231-H317 PolarHBondContact O-ND1 2.91Å; N231-S403 PolarHBondContact ND2-OG 3.45Å
232	G	98.3	Very high	96	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.138	C	C	.	.	S	Bend	trans	75.6	176.5	175.3	0	0	0	0	0	115.3	F230 F234 N262	F230-G232 PolarHBondContact O-N 3.44Å; G232-F234 WeakPolarHBondContact O-CE1 3.2Å; G232-N262 VanDerWaalsContact CA-O 3.29Å; G232-N262 WeakPolarHBondContact CA-O 3.27Å; G232-N262 PolarHBondContact N-O 2.94Å; G232-N262 VanDerWaalsContact N-O 3.12Å
233	D	98.5	Very high	96.1	Very high	2 Å²	2	29.3 Å²	29.3	1%	0.011	14%	0.141	C	C	.	.			trans	55.7	57.6	175.3	-77.7	12.9	0	0	0	112.8	D204 L205 H206 G264 N265 H266 E267 H317	D204-D233 HydrophobicContact CB-CB 3.89Å; L205-D233 PolarHBondContact N-O 2.95Å; H206-D233 IonicContact CE1-OD2 3.96Å; H206-D233 PolarHBondContact CE1-OD2 2.86Å; H206-D233 VanDerWaalsContact CE1-OD2 3.24Å; H206-D233 PolarHBondContact N-O 3.45Å; H206-D233 IonicContact NE2-OD2 2.61Å; D233-G264 WeakPolarHBondContact OD1-CA 3.45Å; D233-N265 PolarHBondContact OD1-N 3.27Å; D233-N265 PolarHBondContact OD1-OD1 2.92Å; D233-N265 PolarHBondContact OD2-OD1 3.3Å; D233-N265 VanDerWaalsContact OD2-OD1 3.07Å; D233-H266 WeakPolarHBondContact OD1-CB 3.19Å; D233-H266 IonicContact OD1-CD2 2.67Å; D233-H266 IonicContact OD1-CG 2.67Å; D233-H266 PolarHBondContact OD1-N 3.01Å; D233-H266 IonicContact OD2-CD2 3.02Å; D233-H266 PolarHBondContact OD2-CD2 3.18Å; D233-E267 PolarHBondContact N-OE1 3.42Å; D233-E267 PolarHBondContact N-OE2 3.5Å; D233-H317 VanDerWaalsContact CG-NE2 3.29Å; D233-H317 IonicContact OD1-CE1 3.91Å; D233-H317 PolarHBondContact OD1-CE1 3.43Å; D233-H317 IonicContact OD1-NE2 3.4Å; D233-H317 PolarHBondContact OD1-NE2 3.49Å; D233-H317 IonicContact OD2-CE1 2.6Å; D233-H317 PolarHBondContact OD2-CE1 3.17Å; D233-H317 VanDerWaalsContact OD2-CE1 3.23Å; D233-H317 IonicContact OD2-NE2 2.82Å; D233-H317 PolarHBondContact OD2-NE2 2.79Å
234	F	98.5	Very high	96.3	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.13	C	C	.	.			trans	-82.7	-26.1	178	-45	-52	0	0	0	111.9	G207 F230 G232 L245 I248 I261 N262 E267	G207-F234 PolarHBondContact N-O 2.78Å; F230-F234 HydrophobicContact CB-CE1 3.71Å; F230-F234 HydrophobicContact CB-CZ 4.15Å; G232-F234 WeakPolarHBondContact O-CE1 3.2Å; F234-L245 HydrophobicContact CB-CB 4.39Å; F234-L245 HydrophobicContact CB-CD1 4.28Å; F234-L245 HydrophobicContact CD2-CD1 3.78Å; F234-L245 HydrophobicContact CG-CD1 4.26Å; F234-I248 HydrophobicContact CD1-CD1 3.72Å; F234-I248 HydrophobicContact CE1-CD1 4.28Å; F234-I248 HydrophobicContact CG-CD1 4.21Å; F234-I261 HydrophobicContact CE1-CG2 4.47Å; F234-I261 HydrophobicContact CE2-CG2 3.44Å; F234-I261 VanDerWaalsContact CE2-CG2 3.44Å; F234-I261 HydrophobicContact CZ-CG2 3.34Å; F234-N262 WeakPolarHBondContact CZ-O 3.21Å; F234-E267 HydrophobicContact CD2-CG 4.17Å; F234-E267 WeakPolarHBondContact CD2-OE1 3.41Å; F234-E267 HydrophobicContact CE2-CG 4.46Å; F234-E267 PolarHBondContact N-OE1 2.65Å
235	V	98.1	Very high	96.6	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	11%	0.111	C	C	.	.	S	Bend	trans	-113.3	178.1	-171.3	-56.2	0	0	0	0	112.1	H206 L245 H266 F277	H206-V235 WeakPolarHBondContact CA-O 3.33Å; H206-V235 PolarHBondContact ND1-O 3.41Å; V235-L245 HydrophobicContact CG1-CB 4.34Å; V235-L245 HydrophobicContact CG1-CD2 4Å; V235-H266 HydrophobicContact CG2-CB 4.17Å; V235-H266 WeakPolarHBondContact CG2-O 3.33Å; V235-F277 HydrophobicContact CB-CB 4.3Å; V235-F277 HydrophobicContact CB-CD1 4.07Å; V235-F277 HydrophobicContact CB-CD2 4.03Å; V235-F277 HydrophobicContact CB-CE1 4.36Å; V235-F277 HydrophobicContact CB-CE2 4.29Å; V235-F277 HydrophobicContact CB-CG 3.89Å; V235-F277 HydrophobicContact CB-CZ 4.45Å; V235-F277 HydrophobicContact CG1-CD1 4.2Å; V235-F277 HydrophobicContact CG1-CD2 4.17Å; V235-F277 HydrophobicContact CG1-CE1 3.97Å; V235-F277 HydrophobicContact CG1-CE2 3.91Å; V235-F277 HydrophobicContact CG1-CG 4.29Å; V235-F277 HydrophobicContact CG1-CZ 3.8Å; V235-F277 HydrophobicContact CG2-CD1 4.18Å; V235-F277 HydrophobicContact CG2-CG 4.33Å
236	D	93.3	Very high	96.9	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	9%	0.087	C	C	.	.	S	Bend	trans	64.2	171	-176.4	-73.6	-39.7	0	0	0	115	H206 G238 S241 H266 N272 Y275 G276 F277	H206-D236 CarbonylContact C-O 3.46Å; H206-D236 VanDerWaalsContact CA-O 3.27Å; H206-D236 WeakPolarHBondContact CA-O 3.49Å; H206-D236 WeakPolarHBondContact CB-O 3.3Å; D236-G238 PolarHBondContact O-N 3.23Å; D236-S241 PolarHBondContact N-OG 3.46Å; D236-H266 VanDerWaalsContact CB-ND1 3.26Å; D236-H266 WeakPolarHBondContact CB-ND1 3.24Å; D236-H266 IonicContact OD2-CE1 3.23Å; D236-H266 IonicContact OD2-CG 3.59Å; D236-H266 IonicContact OD2-ND1 3.7Å; D236-H266 PolarHBondContact OD2-ND1 3.42Å; D236-N272 PolarHBondContact OD2-ND2 3.3Å; D236-Y275 HydrophobicContact CB-CG 4.39Å; D236-Y275 WeakPolarHBondContact OD1-CB 3.48Å; D236-G276 PolarHBondContact OD1-N 3.46Å; D236-F277 WeakPolarHBondContact OD1-CB 3.43Å; D236-F277 PolarHBondContact OD1-N 3.36Å
237	R	90.3	Very high	97	Very high	80 Å²	80	19.6 Å²	19.6	30%	0.302	8%	0.083	S	C	.	.	S	Bend	trans	60.1	-53.3	-178.4	-41.5	-70.5	-167.9	116.6	1.9	115.1	E77 E81 H206 Y275 Y428	E77-R237 IonicContact OE1-CZ 3.8Å; E77-R237 IonicContact OE1-NH1 3.76Å; E77-R237 PolarHBondContact OE1-NH1 3.1Å; E77-R237 IonicContact OE1-NH2 3.23Å; E77-R237 PolarHBondContact OE1-NH2 3.47Å; E81-R237 IonicContact OE1-NH2 3.39Å; E81-R237 PolarHBondContact OE1-NH2 3.29Å; H206-R237 HydrophobicContact CB-CB 4.03Å; H206-R237 HydrophobicContact CB-CG 4.24Å; R237-Y275 VanDerWaalsContact CZ-CE1 3.43Å; R237-Y275 PolarHBondContact NH2-OH 2.99Å; R237-Y428 HydrophobicContact CB-CE2 4.05Å; R237-Y428 HydrophobicContact CG-CE2 4.01Å; R237-Y428 WeakPolarHBondContact CG-OH 3.09Å; R237-Y428 PolarHBondContact NE-OH 2.72Å; R237-Y428 PolarHBondContact NH1-OH 2.85Å
238	G	91.3	Very high	97.1	Very high	19 Å²	19	19.3 Å²	19.3	20%	0.196	8%	0.082	C	C	.	.	S	Bend	trans	-76.7	-179.1	173.6	0	0	0	0	0	113.7	H206 D236	H206-G238 WeakPolarHBondContact O-CA 3.26Å; H206-G238 PolarHBondContact O-N 3.34Å; D236-G238 PolarHBondContact O-N 3.23Å
239	R	91.6	Very high	97.1	Very high	223 Å²	223	19.3 Å²	19.3	84%	0.842	8%	0.082	S	C	*	.	S	Bend	trans	-107.8	-4.7	-173.4	-60.1	179.2	-177.4	166.5	1.5	114	K284	R239-K284 PolarHBondContact O-NZ 2.75Å
240	K	96.2	Very high	97.1	Very high	64 Å²	64	19.3 Å²	19.3	28%	0.278	8%	0.082	S	C	.	.			trans	-129	42.3	-174	-66.2	-167.6	175.8	-167.6	0	111.4	F160 G207 F209 E243 T244 E280	F160-K240 PolarHBondContact O-NZ 2.99Å; G207-K240 CarbonylContact O-C 3.52Å; G207-K240 WeakPolarHBondContact O-CA 3.14Å; G207-K240 WeakPolarHBondContact O-CB 3.24Å; G207-K240 PolarHBondContact O-N 3.29Å; G207-K240 VanDerWaalsContact O-N 3.13Å; F209-K240 HydrophobicContact CB-CB 3.69Å; F209-K240 HydrophobicContact CB-CD 3.85Å; F209-K240 HydrophobicContact CB-CG 4.42Å; F209-K240 HydrophobicContact CD1-CD 4.32Å; F209-K240 HydrophobicContact CG-CD 4.42Å; K240-E243 VanDerWaalsContact C-OE2 3.25Å; K240-E243 WeakPolarHBondContact CA-OE2 2.94Å; K240-E243 HydrophobicContact CB-CB 4.2Å; K240-E243 HydrophobicContact CB-CG 4.44Å; K240-E243 WeakPolarHBondContact CB-OE2 3.5Å; K240-E243 PolarHBondContact O-N 2.97Å; K240-T244 WeakPolarHBondContact O-CB 3.42Å; K240-T244 PolarHBondContact O-N 3.42Å; K240-T244 PolarHBondContact O-OG1 3.25Å; K240-E280 PolarHBondContact N-OE2 2.85Å
241	S	98.3	Very high	97	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-62.8	-44.9	178.9	-52.6	0	0	0	0	111.4	D236 E243 T244 L245 F277 E280	D236-S241 PolarHBondContact N-OG 3.46Å; S241-E243 PolarHBondContact O-N 2.97Å; S241-T244 PolarHBondContact O-N 2.99Å; S241-L245 WeakPolarHBondContact O-CB 3.49Å; S241-L245 PolarHBondContact O-N 2.9Å; S241-F277 VanDerWaalsContact CB-CE2 3.49Å; S241-E280 WeakPolarHBondContact CB-OE2 3.47Å; S241-E280 PolarHBondContact N-OE1 3.26Å; S241-E280 PolarHBondContact N-OE2 3.47Å; S241-E280 PolarHBondContact OG-OE2 3.39Å
242	V	98.2	Very high	97	Very high	1 Å²	1	19.4 Å²	19.4	1%	0.006	8%	0.082	C	C	.	.	H	α-helix	trans	-60.5	-47.4	177.8	176.1	0	0	0	0	110.2	T244 L246 F277 E280 I281 Y285 F296	V242-T244 PolarHBondContact O-N 2.78Å; V242-L246 HydrophobicContact CG1-CD1 3.57Å; V242-L246 HydrophobicContact CG1-CG 4.12Å; V242-L246 VanDerWaalsContact O-CB 3.27Å; V242-L246 WeakPolarHBondContact O-CB 3.38Å; V242-L246 WeakPolarHBondContact O-CG 3.46Å; V242-L246 PolarHBondContact O-N 3.2Å; V242-F277 HydrophobicContact CG2-CE2 3.61Å; V242-F277 HydrophobicContact CG2-CZ 4.26Å; V242-E280 WeakPolarHBondContact CG2-OE1 3.18Å; V242-E280 PolarHBondContact N-OE1 2.84Å; V242-I281 HydrophobicContact CG2-CG1 4.06Å; V242-Y285 HydrophobicContact CG1-CE2 4.18Å; V242-Y285 HydrophobicContact CG2-CE2 4.28Å; V242-F296 HydrophobicContact CG1-CZ 4.48Å
243	E	98.1	Very high	97	Very high	15 Å²	15	21.1 Å²	21.1	7%	0.07	9%	0.091	C	C	.	.	H	α-helix	trans	-62.9	-43.1	179.6	-64.8	84.1	165.8	0	0	111.8	F160 F209 K240 S241 T247 K284	F160-E243 HydrophobicContact CB-CB 4.27Å; F160-E243 HydrophobicContact CB-CG 3.84Å; F160-E243 HydrophobicContact CD1-CB 4.33Å; F160-E243 HydrophobicContact CD1-CG 3.51Å; F160-E243 HydrophobicContact CD2-CB 3.46Å; F160-E243 VanDerWaalsContact CD2-CB 3.46Å; F160-E243 HydrophobicContact CD2-CG 3.6Å; F160-E243 HydrophobicContact CE1-CG 3.84Å; F160-E243 HydrophobicContact CE2-CB 3.7Å; F160-E243 HydrophobicContact CE2-CG 3.91Å; F160-E243 HydrophobicContact CG-CB 3.8Å; F160-E243 HydrophobicContact CG-CG 3.37Å; F160-E243 HydrophobicContact CZ-CB 4.25Å; F160-E243 HydrophobicContact CZ-CG 4.02Å; F209-E243 HydrophobicContact CD2-CB 3.99Å; F209-E243 HydrophobicContact CE2-CB 4.35Å; F209-E243 HydrophobicContact CG-CB 4.17Å; K240-E243 VanDerWaalsContact C-OE2 3.25Å; K240-E243 WeakPolarHBondContact CA-OE2 2.94Å; K240-E243 HydrophobicContact CB-CB 4.2Å; K240-E243 HydrophobicContact CB-CG 4.44Å; K240-E243 WeakPolarHBondContact CB-OE2 3.5Å; K240-E243 PolarHBondContact O-N 2.97Å; S241-E243 PolarHBondContact O-N 2.97Å; E243-T247 WeakPolarHBondContact O-CB 3.32Å; E243-T247 PolarHBondContact O-N 3.37Å; E243-T247 PolarHBondContact O-OG1 3.43Å; E243-T247 VanDerWaalsContact O-OG1 3.11Å; E243-K284 IonicContact OE1-NZ 2.67Å; E243-K284 PolarHBondContact OE1-NZ 3Å; E243-K284 IonicContact OE2-NZ 2.89Å; E243-K284 PolarHBondContact OE2-NZ 3.37Å
244	T	98.4	Very high	96.9	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-62.5	-53.2	179.6	-57.6	0	0	0	0	110.9	L205 F209 L212 K240 S241 V242 T247 I248	L205-T244 HydrophobicContact CB-CG2 3.98Å; L205-T244 HydrophobicContact CD1-CG2 3.93Å; F209-T244 WeakPolarHBondContact CA-OG1 3.22Å; F209-T244 PolarHBondContact N-OG1 2.91Å; L212-T244 HydrophobicContact CD2-CG2 4.1Å; K240-T244 WeakPolarHBondContact O-CB 3.42Å; K240-T244 PolarHBondContact O-N 3.42Å; K240-T244 PolarHBondContact O-OG1 3.25Å; S241-T244 PolarHBondContact O-N 2.99Å; V242-T244 PolarHBondContact O-N 2.78Å; T244-T247 PolarHBondContact O-N 3.19Å; T244-I248 HydrophobicContact CG2-CD1 4.16Å; T244-I248 WeakPolarHBondContact O-CG1 3.32Å; T244-I248 PolarHBondContact O-N 3.39Å; T244-I248 VanDerWaalsContact O-N 3.16Å
245	L	98.6	Very high	96.8	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.005	11%	0.113	C	C	.	.	H	α-helix	trans	-63.8	-47.6	-179.7	179.6	54.8	0	0	0	111.4	F234 V235 S241 T247 I248 L249 F296 Y300	F234-L245 HydrophobicContact CB-CB 4.39Å; F234-L245 HydrophobicContact CB-CD1 4.28Å; F234-L245 HydrophobicContact CD2-CD1 3.78Å; F234-L245 HydrophobicContact CG-CD1 4.26Å; V235-L245 HydrophobicContact CG1-CB 4.34Å; V235-L245 HydrophobicContact CG1-CD2 4Å; S241-L245 WeakPolarHBondContact O-CB 3.49Å; S241-L245 PolarHBondContact O-N 2.9Å; L245-T247 VanDerWaalsContact C-N 3.33Å; L245-T247 PolarHBondContact O-N 2.84Å; L245-I248 PolarHBondContact O-N 3.22Å; L245-I248 VanDerWaalsContact O-N 3.16Å; L245-L249 HydrophobicContact CD1-CD1 4.13Å; L245-L249 HydrophobicContact CD1-CD2 4.27Å; L245-L249 HydrophobicContact CD1-CG 3.94Å; L245-L249 HydrophobicContact CG-CD1 4.07Å; L245-L249 HydrophobicContact CG-CG 4.29Å; L245-L249 VanDerWaalsContact O-CG 3.31Å; L245-L249 WeakPolarHBondContact O-CG 3.41Å; L245-L249 PolarHBondContact O-N 3.08Å; L245-F296 HydrophobicContact CD2-CD1 3.76Å; L245-F296 HydrophobicContact CD2-CE1 3.65Å; L245-F296 HydrophobicContact CG-CE1 4.45Å; L245-Y300 HydrophobicContact CD2-CE1 4.35Å
246	L	98.5	Very high	96.6	Very high	0 Å²	0	29 Å²	29	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-62.5	-37.7	-179.8	-67.5	-179.7	0	0	0	112.7	I166 V171 I174 V242 L249 C250	I166-L246 HydrophobicContact CG2-CD1 3.91Å; V171-L246 HydrophobicContact CB-CD1 4.43Å; V171-L246 HydrophobicContact CG1-CD1 4.19Å; V171-L246 HydrophobicContact CG1-CD2 4.2Å; V171-L246 HydrophobicContact CG2-CD1 3.99Å; I174-L246 HydrophobicContact CB-CD2 4.03Å; I174-L246 HydrophobicContact CD1-CB 4.37Å; I174-L246 HydrophobicContact CD1-CD1 4.35Å; I174-L246 HydrophobicContact CD1-CD2 4.01Å; I174-L246 HydrophobicContact CD1-CG 4.47Å; I174-L246 HydrophobicContact CG2-CD2 3.78Å; V242-L246 HydrophobicContact CG1-CD1 3.57Å; V242-L246 HydrophobicContact CG1-CG 4.12Å; V242-L246 VanDerWaalsContact O-CB 3.27Å; V242-L246 WeakPolarHBondContact O-CB 3.38Å; V242-L246 WeakPolarHBondContact O-CG 3.46Å; V242-L246 PolarHBondContact O-N 3.2Å; L246-L249 PolarHBondContact O-N 2.76Å; L246-C250 WeakPolarHBondContact O-CB 3.08Å; L246-C250 PolarHBondContact O-N 3.42Å; L246-C250 PolarHBondContact O-SG 3.29Å
247	T	98.5	Very high	96.6	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-62.7	-45.5	173.9	-69.3	0	0	0	0	111.5	M157 F209 L212 L216 E243 T244 L245 L249 C250 L251	M157-T247 HydrophobicContact CE-CG2 4.34Å; M157-T247 HydrophobicContact CG-CG2 3.98Å; M157-T247 HydrophobicContact SD-CG2 3.89Å; F209-T247 HydrophobicContact CE2-CG2 4.36Å; F209-T247 WeakPolarHBondContact CE2-OG1 3.28Å; L212-T247 HydrophobicContact CD2-CG2 3.89Å; L216-T247 HydrophobicContact CD1-CG2 4.36Å; E243-T247 WeakPolarHBondContact O-CB 3.32Å; E243-T247 PolarHBondContact O-N 3.37Å; E243-T247 PolarHBondContact O-OG1 3.43Å; E243-T247 VanDerWaalsContact O-OG1 3.11Å; T244-T247 PolarHBondContact O-N 3.19Å; L245-T247 VanDerWaalsContact C-N 3.33Å; L245-T247 PolarHBondContact O-N 2.84Å; T247-L249 PolarHBondContact O-N 3.29Å; T247-C250 PolarHBondContact O-N 3.4Å; T247-L251 HydrophobicContact CG2-CD1 4.07Å; T247-L251 VanDerWaalsContact O-CG 3.23Å; T247-L251 WeakPolarHBondContact O-CG 3.43Å; T247-L251 PolarHBondContact O-N 3.21Å
248	I	98.7	Very high	96.9	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-61.2	-45.3	177.7	-65.9	166.2	0	0	0	110.8	L205 L212 F230 F234 T244 L245 L251 M252 I261	L205-I248 HydrophobicContact CD1-CD1 3.85Å; L212-I248 HydrophobicContact CD1-CG1 4.37Å; L212-I248 HydrophobicContact CD2-CD1 4.41Å; L212-I248 HydrophobicContact CD2-CG1 3.96Å; F230-I248 HydrophobicContact CB-CG2 4.2Å; F230-I248 HydrophobicContact CD1-CD1 3.84Å; F230-I248 HydrophobicContact CD1-CG1 4.02Å; F230-I248 HydrophobicContact CD1-CG2 4.42Å; F230-I248 HydrophobicContact CD2-CG2 3.77Å; F230-I248 HydrophobicContact CE1-CD1 4.25Å; F230-I248 HydrophobicContact CE1-CG1 4.03Å; F230-I248 HydrophobicContact CE2-CG2 4.22Å; F230-I248 HydrophobicContact CG-CD1 4.25Å; F230-I248 HydrophobicContact CG-CG1 4.33Å; F230-I248 HydrophobicContact CG-CG2 3.88Å; F230-I248 HydrophobicContact CZ-CG1 4.33Å; F234-I248 HydrophobicContact CD1-CD1 3.72Å; F234-I248 HydrophobicContact CE1-CD1 4.28Å; F234-I248 HydrophobicContact CG-CD1 4.21Å; T244-I248 HydrophobicContact CG2-CD1 4.16Å; T244-I248 WeakPolarHBondContact O-CG1 3.32Å; T244-I248 PolarHBondContact O-N 3.39Å; T244-I248 VanDerWaalsContact O-N 3.16Å; L245-I248 PolarHBondContact O-N 3.22Å; L245-I248 VanDerWaalsContact O-N 3.16Å; I248-L251 PolarHBondContact O-N 3.41Å; I248-M252 PolarHBondContact O-N 2.72Å; I248-I261 HydrophobicContact CG2-CD1 3.63Å; I248-I261 HydrophobicContact CG2-CG1 4Å
249	L	98.7	Very high	97.2	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-62.7	-44.7	178.5	-69.1	-175.1	0	0	0	112.6	I174 L175 L245 L246 T247 L251 M252 L253 I261 F299	I174-L249 HydrophobicContact CG2-CB 3.89Å; I174-L249 HydrophobicContact CG2-CD1 4.29Å; L175-L249 HydrophobicContact CD2-CD1 3.8Å; L245-L249 HydrophobicContact CD1-CD1 4.13Å; L245-L249 HydrophobicContact CD1-CD2 4.27Å; L245-L249 HydrophobicContact CD1-CG 3.94Å; L245-L249 HydrophobicContact CG-CD1 4.07Å; L245-L249 HydrophobicContact CG-CG 4.29Å; L245-L249 VanDerWaalsContact O-CG 3.31Å; L245-L249 WeakPolarHBondContact O-CG 3.41Å; L245-L249 PolarHBondContact O-N 3.08Å; L246-L249 PolarHBondContact O-N 2.76Å; T247-L249 PolarHBondContact O-N 3.29Å; L249-L251 VanDerWaalsContact C-N 3.33Å; L249-L251 PolarHBondContact O-N 2.91Å; L249-M252 HydrophobicContact CD2-CE 4.18Å; L249-M252 WeakPolarHBondContact O-CB 3.32Å; L249-M252 PolarHBondContact O-N 3.43Å; L249-M252 VanDerWaalsContact O-N 3.15Å; L249-L253 WeakPolarHBondContact O-CG 3.5Å; L249-L253 PolarHBondContact O-N 2.75Å; L249-I261 HydrophobicContact CD2-CD1 3.85Å; L249-F299 HydrophobicContact CD1-CE1 3.98Å; L249-F299 HydrophobicContact CD1-CZ 4.01Å; L249-F299 HydrophobicContact CD2-CE1 3.76Å; L249-F299 HydrophobicContact CD2-CZ 3.46Å; L249-F299 VanDerWaalsContact CD2-CZ 3.46Å; L249-F299 HydrophobicContact CG-CE1 4.5Å; L249-F299 HydrophobicContact CG-CZ 4.4Å
250	C	98.6	Very high	97.6	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-63.3	-38.7	176.3	-70.2	0	0	0	0	112.2	I148 V153 M156 L246 T247 M252 L253 I254	I148-C250 HydrophobicContact CD1-CB 3.92Å; I148-C250 WeakPolarHBondContact CD1-SG 3.39Å; V153-C250 HydrophobicContact CG2-CB 3.6Å; M156-C250 HydrophobicContact CE-CB 4.11Å; L246-C250 WeakPolarHBondContact O-CB 3.08Å; L246-C250 PolarHBondContact O-N 3.42Å; L246-C250 PolarHBondContact O-SG 3.29Å; T247-C250 PolarHBondContact O-N 3.4Å; C250-M252 VanDerWaalsContact C-N 3.3Å; C250-M252 PolarHBondContact O-N 2.75Å; C250-L253 PolarHBondContact O-N 3.27Å; C250-I254 VanDerWaalsContact O-CG1 3.31Å; C250-I254 WeakPolarHBondContact O-CG1 3.35Å; C250-I254 PolarHBondContact O-N 3.46Å; C250-I254 VanDerWaalsContact O-N 3.09Å
251	L	98.5	Very high	97.7	Very high	2 Å²	2	17.1 Å²	17.1	1%	0.01	9%	0.091	C	C	.	.	H	α-helix	trans	-63.5	-38.2	173.9	-67.5	172	0	0	0	111.7	M150 V153 L216 M221 P222 T247 I248 L249 I254 R255 V259	M150-L251 HydrophobicContact CE-CD2 4.43Å; M150-L251 HydrophobicContact SD-CD2 4.28Å; V153-L251 HydrophobicContact CG1-CD2 3.97Å; V153-L251 HydrophobicContact CG1-CG 4.49Å; L216-L251 HydrophobicContact CD1-CD1 3.84Å; L216-L251 HydrophobicContact CD2-CD1 4.11Å; M221-L251 HydrophobicContact CE-CD2 3.58Å; P222-L251 HydrophobicContact CG-CB 4.26Å; P222-L251 HydrophobicContact CG-CD1 4.09Å; P222-L251 HydrophobicContact CG-CD2 4.36Å; P222-L251 HydrophobicContact CG-CG 4.46Å; T247-L251 HydrophobicContact CG2-CD1 4.07Å; T247-L251 VanDerWaalsContact O-CG 3.23Å; T247-L251 WeakPolarHBondContact O-CG 3.43Å; T247-L251 PolarHBondContact O-N 3.21Å; I248-L251 PolarHBondContact O-N 3.41Å; L249-L251 VanDerWaalsContact C-N 3.33Å; L249-L251 PolarHBondContact O-N 2.91Å; L251-I254 PolarHBondContact O-N 2.91Å; L251-R255 PolarHBondContact O-N 3.13Å; L251-V259 HydrophobicContact CB-CG2 4.26Å
252	M	98.1	Very high	97.7	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-63.6	-41.7	172.8	-176.3	-166.7	67.7	0	0	112.8	C181 I182 R185 I248 L249 C250 I254 R255 P256 V259 I261	C181-M252 HydrophobicContact CB-CE 4.47Å; I182-M252 HydrophobicContact CB-CE 4.37Å; I182-M252 HydrophobicContact CB-SD 4.49Å; I182-M252 HydrophobicContact CD1-CE 4.46Å; I182-M252 HydrophobicContact CD1-SD 3.89Å; I182-M252 HydrophobicContact CG1-SD 4.25Å; R185-M252 VanDerWaalsContact NH2-CG 3.34Å; I248-M252 PolarHBondContact O-N 2.72Å; L249-M252 HydrophobicContact CD2-CE 4.18Å; L249-M252 WeakPolarHBondContact O-CB 3.32Å; L249-M252 PolarHBondContact O-N 3.43Å; L249-M252 VanDerWaalsContact O-N 3.15Å; C250-M252 VanDerWaalsContact C-N 3.3Å; C250-M252 PolarHBondContact O-N 2.75Å; M252-I254 VanDerWaalsContact C-N 3.32Å; M252-I254 PolarHBondContact O-N 2.73Å; M252-R255 CarbonylContact O-C 3.55Å; M252-R255 VanDerWaalsContact O-C 3.32Å; M252-R255 PolarHBondContact O-N 3.44Å; M252-P256 WeakPolarHBondContact O-CA 3.44Å; M252-P256 WeakPolarHBondContact O-CD 3.42Å; M252-V259 HydrophobicContact CB-CB 4.1Å; M252-V259 HydrophobicContact CB-CG1 3.8Å; M252-V259 HydrophobicContact CG-CB 4.49Å; M252-V259 HydrophobicContact CG-CG1 4.41Å; M252-I261 HydrophobicContact CB-CD1 4.07Å; M252-I261 HydrophobicContact CE-CD1 4.47Å; M252-I261 HydrophobicContact CG-CD1 4.26Å; M252-I261 HydrophobicContact SD-CD1 3.56Å; M252-I261 VanDerWaalsContact SD-CD1 3.56Å; M252-I261 HydrophobicContact SD-CG1 4.19Å
253	L	97.8	Very high	97.7	Very high	36 Å²	36	17.1 Å²	17.1	19%	0.188	9%	0.091	C	C	.	.	H	α-helix	trans	-63.3	-38.2	177.1	-71.7	175.1	0	0	0	112.5	F146 I148 E177 C181 L249 C250	F146-L253 HydrophobicContact CE1-CD1 4.29Å; I148-L253 HydrophobicContact CG2-CB 3.92Å; I148-L253 HydrophobicContact CG2-CD1 4.33Å; E177-L253 HydrophobicContact CB-CD1 3.79Å; E177-L253 HydrophobicContact CB-CD2 3.98Å; C181-L253 HydrophobicContact CB-CD2 3.86Å; L249-L253 WeakPolarHBondContact O-CG 3.5Å; L249-L253 PolarHBondContact O-N 2.75Å; C250-L253 PolarHBondContact O-N 3.27Å
254	I	97.3	Very high	97.7	Very high	36 Å²	36	16.4 Å²	16.4	19%	0.185	9%	0.088	C	C	.	.	H	α-helix	trans	-75.1	-42.3	178.8	-62.5	166.8	0	0	0	111.1	I148 D149 M150 V153 C250 L251 M252 P256	I148-I254 HydrophobicContact CG2-CD1 4.37Å; I148-I254 HydrophobicContact CG2-CG1 3.87Å; I148-I254 WeakPolarHBondContact O-CG1 3.44Å; D149-I254 VanDerWaalsContact C-CD1 3.42Å; D149-I254 WeakPolarHBondContact O-CD1 3.12Å; M150-I254 HydrophobicContact CG-CD1 4.22Å; M150-I254 HydrophobicContact CG-CG2 3.94Å; M150-I254 HydrophobicContact SD-CB 4.5Å; M150-I254 HydrophobicContact SD-CD1 3.7Å; M150-I254 HydrophobicContact SD-CG2 3.93Å; V153-I254 HydrophobicContact CB-CD1 4.22Å; V153-I254 HydrophobicContact CG2-CD1 3.41Å; V153-I254 VanDerWaalsContact CG2-CD1 3.41Å; C250-I254 VanDerWaalsContact O-CG1 3.31Å; C250-I254 WeakPolarHBondContact O-CG1 3.35Å; C250-I254 PolarHBondContact O-N 3.46Å; C250-I254 VanDerWaalsContact O-N 3.09Å; L251-I254 PolarHBondContact O-N 2.91Å; M252-I254 VanDerWaalsContact C-N 3.32Å; M252-I254 PolarHBondContact O-N 2.73Å; I254-P256 VanDerWaalsContact C-CD 3.44Å; I254-P256 WeakPolarHBondContact O-CD 3.35Å
255	R	95.8	Very high	97.5	Very high	78 Å²	78	16.5 Å²	16.5	29%	0.294	9%	0.088	S	C	.	.			trans	-124.9	67.1	-175	-58.6	-57.2	-168.9	111.9	11.7	111.2	D223 L251 M252 T257 S258 V259	D223-R255 IonicContact OD1-CZ 3.59Å; D223-R255 IonicContact OD1-NH1 3.55Å; D223-R255 PolarHBondContact OD1-NH1 3.3Å; D223-R255 IonicContact OD1-NH2 3.2Å; D223-R255 PolarHBondContact OD1-NH2 2.86Å; L251-R255 PolarHBondContact O-N 3.13Å; M252-R255 CarbonylContact O-C 3.55Å; M252-R255 VanDerWaalsContact O-C 3.32Å; M252-R255 PolarHBondContact O-N 3.44Å; R255-T257 PolarHBondContact O-N 2.62Å; R255-T257 VanDerWaalsContact O-N 3.16Å; R255-S258 PolarHBondContact O-N 3.33Å; R255-V259 HydrophobicContact CB-CG2 4.39Å; R255-V259 PolarHBondContact O-N 2.69Å
256	P	94.5	Very high	97.4	Very high	55 Å²	55	16.6 Å²	16.6	36%	0.357	9%	0.088	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-27.9	-173.2	23.5	-34.1	0	0	0	113.5	R185 M252 I254	R185-P256 PolarHBondContact NH2-O 3.45Å; M252-P256 WeakPolarHBondContact O-CA 3.44Å; M252-P256 WeakPolarHBondContact O-CD 3.42Å; I254-P256 VanDerWaalsContact C-CD 3.44Å; I254-P256 WeakPolarHBondContact O-CD 3.35Å
257	T	93.4	Very high	97.3	Very high	109 Å²	109	16.6 Å²	16.6	67%	0.669	9%	0.088	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.8	-3.5	177.2	58	0	0	0	0	114	R255	R255-T257 PolarHBondContact O-N 2.62Å; R255-T257 VanDerWaalsContact O-N 3.16Å
258	S	96	Very high	97	Very high	3 Å²	3	16.8 Å²	16.8	2%	0.021	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.7	-3.6	-177.7	-43.5	0	0	0	0	113.4	D223 V224 P227 Y228 R255	D223-S258 VanDerWaalsContact O-CB 3.29Å; D223-S258 WeakPolarHBondContact O-CB 3.42Å; D223-S258 PolarHBondContact O-OG 3.3Å; V224-S258 WeakPolarHBondContact CA-OG 3.11Å; V224-S258 PolarHBondContact N-OG 2.99Å; P227-S258 CarbonylContact C-O 3.11Å; P227-S258 WeakPolarHBondContact CA-O 3.44Å; P227-S258 WeakPolarHBondContact CB-O 3.5Å; Y228-S258 PolarHBondContact N-O 3.45Å; R255-S258 PolarHBondContact O-N 3.33Å
259	V	98.1	Very high	96.4	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	109.8	176.6	179.3	0	0	0	0	108.9	R185 P222 F230 L251 M252 R255 I261	R185-V259 PolarHBondContact NH1-O 3.4Å; P222-V259 HydrophobicContact CB-CG2 3.47Å; P222-V259 VanDerWaalsContact CB-CG2 3.47Å; P222-V259 HydrophobicContact CG-CG2 3.75Å; F230-V259 HydrophobicContact CD2-CG1 3.86Å; F230-V259 HydrophobicContact CE2-CG1 3.87Å; L251-V259 HydrophobicContact CB-CG2 4.26Å; M252-V259 HydrophobicContact CB-CB 4.1Å; M252-V259 HydrophobicContact CB-CG1 3.8Å; M252-V259 HydrophobicContact CG-CB 4.49Å; M252-V259 HydrophobicContact CG-CG1 4.41Å; R255-V259 HydrophobicContact CB-CG2 4.39Å; R255-V259 PolarHBondContact O-N 2.69Å; V259-I261 HydrophobicContact CG1-CG1 4.23Å
260	F	98.5	Very high	95.6	Very high	22 Å²	22	20 Å²	20	10%	0.096	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	138.9	174	-53.3	-85.8	0	0	0	108.4	Q189 A191 I199 P227 Y228 V229 F230 T307	Q189-F260 HydrophobicContact CB-CD1 3.93Å; Q189-F260 HydrophobicContact CG-CD1 4.45Å; A191-F260 HydrophobicContact CB-CD1 4.46Å; A191-F260 HydrophobicContact CB-CD2 3.99Å; A191-F260 HydrophobicContact CB-CE1 4.07Å; A191-F260 HydrophobicContact CB-CE2 3.58Å; A191-F260 HydrophobicContact CB-CG 4.42Å; A191-F260 HydrophobicContact CB-CZ 3.63Å; I199-F260 HydrophobicContact CD1-CD2 4.17Å; I199-F260 HydrophobicContact CD1-CE2 4.12Å; P227-F260 HydrophobicContact CB-CE2 4.43Å; Y228-F260 WeakPolarHBondContact O-CD2 3.48Å; Y228-F260 PolarHBondContact O-N 3.02Å; V229-F260 CarbonylContact C-O 3.37Å; V229-F260 WeakPolarHBondContact CA-O 3.39Å; V229-F260 HydrophobicContact CB-CB 4.48Å; V229-F260 HydrophobicContact CG1-CB 4.41Å; V229-F260 HydrophobicContact CG2-CB 4.16Å; V229-F260 HydrophobicContact CG2-CD2 4.24Å; F230-F260 PolarHBondContact N-O 3.43Å; F260-T307 HydrophobicContact CB-CG2 4.47Å; F260-T307 HydrophobicContact CG-CG2 4.47Å
261	I	98.6	Very high	95	Very high	2 Å²	2	20 Å²	20	1%	0.01	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	127.9	179.9	-53.1	179	0	0	0	106.9	Q189 F230 F234 I248 L249 M252 V259 I303	Q189-I261 PolarHBondContact NE2-O 2.88Å; F230-I261 WeakPolarHBondContact O-CA 3.35Å; F234-I261 HydrophobicContact CE1-CG2 4.47Å; F234-I261 HydrophobicContact CE2-CG2 3.44Å; F234-I261 VanDerWaalsContact CE2-CG2 3.44Å; F234-I261 HydrophobicContact CZ-CG2 3.34Å; I248-I261 HydrophobicContact CG2-CD1 3.63Å; I248-I261 HydrophobicContact CG2-CG1 4Å; L249-I261 HydrophobicContact CD2-CD1 3.85Å; M252-I261 HydrophobicContact CB-CD1 4.07Å; M252-I261 HydrophobicContact CE-CD1 4.47Å; M252-I261 HydrophobicContact CG-CD1 4.26Å; M252-I261 HydrophobicContact SD-CD1 3.56Å; M252-I261 VanDerWaalsContact SD-CD1 3.56Å; M252-I261 HydrophobicContact SD-CG1 4.19Å; V259-I261 HydrophobicContact CG1-CG1 4.23Å; I261-I303 HydrophobicContact CG2-CG2 3.93Å
262	N	98.7	Very high	94.6	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	150.4	169.9	-60.5	-22.2	0	0	0	109.5	Q189 F230 N231 G232 F234 I303 P304 A306 T307 V315	Q189-N262 PolarHBondContact NE2-OD1 2.95Å; F230-N262 PolarHBondContact O-N 2.95Å; N231-N262 PolarHBondContact OD1-ND2 3.1Å; G232-N262 VanDerWaalsContact CA-O 3.29Å; G232-N262 WeakPolarHBondContact CA-O 3.27Å; G232-N262 PolarHBondContact N-O 2.94Å; G232-N262 VanDerWaalsContact N-O 3.12Å; F234-N262 WeakPolarHBondContact CZ-O 3.21Å; N262-I303 VanDerWaalsContact C-CG2 3.48Å; N262-P304 CarbonylContact C-O 3.5Å; N262-P304 WeakPolarHBondContact CA-O 3.5Å; N262-A306 WeakPolarHBondContact OD1-CA 3.43Å; N262-A306 PolarHBondContact OD1-O 2.81Å; N262-T307 PolarHBondContact OD1-N 3.32Å; N262-T307 PolarHBondContact OD1-OG1 3.03Å; N262-V315 PolarHBondContact ND2-O 3.01Å; N262-V315 VanDerWaalsContact ND2-O 3.16Å
263	R	98.2	Very high	93.7	Very high	1 Å²	1	20.4 Å²	20.4	0%	0.004	11%	0.106	C	C	.	.			trans	-73.1	137.5	174	-163.8	-179.6	-179.9	171.9	-0.6	109.6	E267 I303 P304 H317 Y337 L338 Y357 L361	R263-E267 HydrophobicContact CG-CB 3.78Å; R263-E267 PolarHBondContact NE-O 3.07Å; R263-E267 PolarHBondContact NH2-O 2.8Å; R263-I303 HydrophobicContact CB-CB 4.02Å; R263-I303 HydrophobicContact CB-CG2 3.88Å; R263-I303 HydrophobicContact CG-CB 4.36Å; R263-I303 VanDerWaalsContact N-CG2 3.29Å; R263-P304 PolarHBondContact N-O 3.11Å; R263-H317 WeakPolarHBondContact O-CB 3.28Å; R263-Y337 PolarHBondContact NH1-O 2.8Å; R263-L338 PolarHBondContact NH2-O 3.2Å; R263-Y357 WeakPolarHBondContact CD-OH 3.39Å; R263-Y357 PolarHBondContact NH1-OH 3.32Å; R263-L361 HydrophobicContact CG-CD1 4.46Å; R263-L361 WeakPolarHBondContact O-CD2 2.91Å
264	G	97.7	Very high	92.6	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.103	C	C	.	.			trans	-103.8	179.1	166.1	0	0	0	0	0	112.2	D233 H266 E267 H317	D233-G264 WeakPolarHBondContact OD1-CA 3.45Å; G264-H266 VanDerWaalsContact C-N 3.29Å; G264-E267 WeakPolarHBondContact CA-OE2 3.3Å; G264-E267 PolarHBondContact N-OE2 3.31Å; G264-E267 PolarHBondContact O-N 2.94Å; G264-H317 VanDerWaalsContact CA-CD2 3.47Å; G264-H317 WeakPolarHBondContact CA-CD2 3.35Å; G264-H317 VanDerWaalsContact CA-CG 3.43Å
265	N	94.8	Very high	91.9	Very high	2 Å²	2	19.9 Å²	19.9	1%	0.011	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-20.1	-179.6	70.6	-68	0	0	0	112.5	D233 E267 V271 H317 L361 W362 H404	D233-N265 PolarHBondContact OD1-N 3.27Å; D233-N265 PolarHBondContact OD1-OD1 2.92Å; D233-N265 PolarHBondContact OD2-OD1 3.3Å; D233-N265 VanDerWaalsContact OD2-OD1 3.07Å; N265-E267 VanDerWaalsContact C-N 3.34Å; N265-V271 WeakPolarHBondContact O-CG2 3.41Å; N265-H317 PolarHBondContact N-CD2 2.82Å; N265-H317 PolarHBondContact OD1-NE2 2.79Å; N265-L361 HydrophobicContact CB-CB 4.21Å; N265-W362 HydrophobicContact CB-CD2 3.96Å; N265-W362 HydrophobicContact CB-CE3 4.34Å; N265-W362 HydrophobicContact CB-CH2 4.11Å; N265-W362 HydrophobicContact CB-CZ2 3.68Å; N265-W362 HydrophobicContact CB-CZ3 4.43Å; N265-W362 WeakPolarHBondContact ND2-CH2 3.4Å; N265-H404 VanDerWaalsContact CG-CE1 3.45Å; N265-H404 PolarHBondContact OD1-CE1 3.17Å; N265-H404 PolarHBondContact OD1-ND1 2.71Å
266	H	95.4	Very high	91.4	Very high	2 Å²	2	17.4 Å²	17.4	1%	0.009	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-9.7	173.4	-77.7	-95.3	0	0	0	114.2	H206 D233 V235 D236 G264 D268 V271 N272 Y275	H206-H266 AromaticContact CE1-CD2 3.44Å; H206-H266 PolarHBondContact CE1-CD2 2.78Å; H206-H266 VanDerWaalsContact CE1-CD2 3.44Å; H206-H266 AromaticContact CE1-CG 3.86Å; H206-H266 AromaticContact CE1-NE2 3.6Å; D233-H266 WeakPolarHBondContact OD1-CB 3.19Å; D233-H266 IonicContact OD1-CD2 2.67Å; D233-H266 IonicContact OD1-CG 2.67Å; D233-H266 PolarHBondContact OD1-N 3.01Å; D233-H266 IonicContact OD2-CD2 3.02Å; D233-H266 PolarHBondContact OD2-CD2 3.18Å; V235-H266 HydrophobicContact CG2-CB 4.17Å; V235-H266 WeakPolarHBondContact CG2-O 3.33Å; D236-H266 VanDerWaalsContact CB-ND1 3.26Å; D236-H266 WeakPolarHBondContact CB-ND1 3.24Å; D236-H266 IonicContact OD2-CE1 3.23Å; D236-H266 IonicContact OD2-CG 3.59Å; D236-H266 IonicContact OD2-ND1 3.7Å; D236-H266 PolarHBondContact OD2-ND1 3.42Å; G264-H266 VanDerWaalsContact C-N 3.29Å; H266-D268 PolarHBondContact O-N 3.05Å; H266-V271 HydrophobicContact CB-CG1 4.45Å; H266-N272 PolarHBondContact O-ND2 3.43Å; H266-Y275 AromaticContact CE1-CD2 3.39Å; H266-Y275 WeakPolarHBondContact CE1-CD2 3.48Å; H266-Y275 AromaticContact CE1-CE2 3.36Å; H266-Y275 WeakPolarHBondContact CE1-CE2 3.45Å; H266-Y275 AromaticContact CE1-CG 3.98Å; H266-Y275 AromaticContact CE1-CZ 3.91Å; H266-Y275 AromaticContact ND1-CD2 3.8Å
267	E	96.8	Very high	91.4	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.083	C	C	.	.	S	Bend	trans	-81.2	56.7	166.6	-74.1	73.7	-135	0	0	110.5	D233 F234 R263 G264 N265 Y300 I303	D233-E267 PolarHBondContact N-OE1 3.42Å; D233-E267 PolarHBondContact N-OE2 3.5Å; F234-E267 HydrophobicContact CD2-CG 4.17Å; F234-E267 WeakPolarHBondContact CD2-OE1 3.41Å; F234-E267 HydrophobicContact CE2-CG 4.46Å; F234-E267 PolarHBondContact N-OE1 2.65Å; R263-E267 HydrophobicContact CG-CB 3.78Å; R263-E267 PolarHBondContact NE-O 3.07Å; R263-E267 PolarHBondContact NH2-O 2.8Å; G264-E267 WeakPolarHBondContact CA-OE2 3.3Å; G264-E267 PolarHBondContact N-OE2 3.31Å; G264-E267 PolarHBondContact O-N 2.94Å; N265-E267 VanDerWaalsContact C-N 3.34Å; E267-Y300 HydrophobicContact CB-CD1 3.62Å; E267-Y300 HydrophobicContact CB-CD2 4.22Å; E267-Y300 HydrophobicContact CB-CE1 3.97Å; E267-Y300 HydrophobicContact CB-CG 3.76Å; E267-Y300 HydrophobicContact CG-CD1 3.7Å; E267-Y300 HydrophobicContact CG-CE1 3.72Å; E267-Y300 HydrophobicContact CG-CG 4.37Å; E267-Y300 WeakPolarHBondContact O-CB 3.02Å; E267-Y300 WeakPolarHBondContact O-CD2 3.04Å; E267-I303 HydrophobicContact CB-CD1 4.34Å; E267-I303 HydrophobicContact CG-CD1 3.96Å
268	D	92	Very high	91.2	Very high	4 Å²	4	9.7 Å²	9.7	2%	0.021	5%	0.051	C	C	.	.	S	Bend	trans	-145.5	134	178.5	-174.9	-63.8	0	0	0	110	H266 Y270 V271 N272 T339 L340	H266-D268 PolarHBondContact O-N 3.05Å; D268-Y270 PolarHBondContact O-N 3.22Å; D268-Y270 PolarHBondContact OD1-N 2.51Å; D268-V271 HydrophobicContact CB-CB 4.11Å; D268-V271 HydrophobicContact CB-CG2 3.86Å; D268-V271 PolarHBondContact O-N 3.45Å; D268-V271 PolarHBondContact OD1-N 3.42Å; D268-N272 PolarHBondContact O-N 3.07Å; D268-N272 PolarHBondContact O-ND2 2.82Å; D268-N272 PolarHBondContact O-OD1 3.4Å; D268-T339 PolarHBondContact OD1-OG1 3.4Å; D268-T339 WeakPolarHBondContact OD2-CA 3.22Å; D268-T339 WeakPolarHBondContact OD2-CB 3.39Å; D268-T339 PolarHBondContact OD2-OG1 3.39Å; D268-L340 PolarHBondContact OD2-N 2.73Å
269	L	86.9	Confident	90.9	Very high	29 Å²	29	14.3 Å²	14.3	15%	0.152	7%	0.071	C	C	.	.	H	α-helix	trans	-59.1	-44.4	-176.4	175.3	60.6	0	0	0	112.8	N272 C273 I278 V293 A297	L269-N272 WeakPolarHBondContact O-CB 3.34Å; L269-N272 PolarHBondContact O-N 2.99Å; L269-C273 PolarHBondContact O-N 2.94Å; L269-C273 PolarHBondContact O-SG 2.98Å; L269-C273 VanDerWaalsContact O-SG 3.36Å; L269-I278 HydrophobicContact CD1-CD1 3.98Å; L269-V293 HydrophobicContact CD1-CG1 3.72Å; L269-A297 HydrophobicContact CB-CB 3.95Å; L269-A297 HydrophobicContact CD1-CB 4.11Å; L269-A297 HydrophobicContact CD2-CB 4.23Å; L269-A297 HydrophobicContact CG-CB 4.32Å
270	Y	82.4	Confident	90.7	Very high	38 Å²	38	15 Å²	15	15%	0.149	7%	0.074	C	C	.	.	H	α-helix	trans	-74.4	-31.6	-175	-68.7	-79.7	0	0	0	111.6	Y88 F91 I95 D268 C273 Q274 T339	Y88-Y270 HydrophobicContact CD2-CD1 4.45Å; Y88-Y270 HydrophobicContact CD2-CD2 4.12Å; Y88-Y270 HydrophobicContact CD2-CE2 4.35Å; Y88-Y270 HydrophobicContact CD2-CG 4.16Å; Y88-Y270 HydrophobicContact CE2-CD2 4.12Å; Y88-Y270 AromaticContact CE2-CE2 3.94Å; Y88-Y270 HydrophobicContact CE2-CE2 3.94Å; F91-Y270 HydrophobicContact CB-CD1 4.23Å; F91-Y270 HydrophobicContact CB-CE1 3.99Å; F91-Y270 AromaticContact CD2-CD1 3.67Å; F91-Y270 HydrophobicContact CD2-CD1 3.67Å; F91-Y270 HydrophobicContact CD2-CE1 4.27Å; F91-Y270 HydrophobicContact CE2-CD1 4.45Å; F91-Y270 HydrophobicContact CG-CD1 4.26Å; F91-Y270 HydrophobicContact CG-CE1 4.42Å; I95-Y270 HydrophobicContact CD1-CE1 4.23Å; I95-Y270 WeakPolarHBondContact CD1-OH 3.44Å; D268-Y270 PolarHBondContact O-N 3.22Å; D268-Y270 PolarHBondContact OD1-N 2.51Å; Y270-C273 WeakPolarHBondContact O-CB 3.35Å; Y270-C273 PolarHBondContact O-N 2.98Å; Y270-Q274 PolarHBondContact O-N 3.47Å; Y270-T339 HydrophobicContact CD2-CG2 3.92Å; Y270-T339 WeakPolarHBondContact CD2-OG1 3.43Å; Y270-T339 HydrophobicContact CE2-CG2 3.68Å
271	V	85.5	Confident	90.6	Very high	1 Å²	1	14 Å²	14	1%	0.006	7%	0.07	C	C	.	.	H	α-helix	trans	-62.2	-47	168.5	179.4	0	0	0	0	109.4	N265 H266 D268 C273 Q274 Y275 L341 W362	N265-V271 WeakPolarHBondContact O-CG2 3.41Å; H266-V271 HydrophobicContact CB-CG1 4.45Å; D268-V271 HydrophobicContact CB-CB 4.11Å; D268-V271 HydrophobicContact CB-CG2 3.86Å; D268-V271 PolarHBondContact O-N 3.45Å; D268-V271 PolarHBondContact OD1-N 3.42Å; V271-C273 PolarHBondContact O-N 3.39Å; V271-Q274 PolarHBondContact O-N 3.32Å; V271-Q274 VanDerWaalsContact O-N 3.07Å; V271-Y275 HydrophobicContact CG1-CD2 3.61Å; V271-Y275 HydrophobicContact CG1-CE2 3.73Å; V271-Y275 WeakPolarHBondContact O-CD2 3.14Å; V271-Y275 PolarHBondContact O-N 2.76Å; V271-L341 HydrophobicContact CG2-CD1 4.03Å; V271-L341 HydrophobicContact CG2-CD2 4.27Å; V271-L341 HydrophobicContact CG2-CG 4.37Å; V271-W362 HydrophobicContact CG2-CH2 3.89Å; V271-W362 HydrophobicContact CG2-CZ2 3.89Å
272	N	89.2	Confident	90.2	Very high	4 Å²	4	15.1 Å²	15.1	2%	0.021	8%	0.075	C	C	.	.	H	α-helix	trans	-63.6	-25.1	177.5	-58.1	158.7	0	0	0	114	D236 H266 D268 L269 F277 I278 Y300	D236-N272 PolarHBondContact OD2-ND2 3.3Å; H266-N272 PolarHBondContact O-ND2 3.43Å; D268-N272 PolarHBondContact O-N 3.07Å; D268-N272 PolarHBondContact O-ND2 2.82Å; D268-N272 PolarHBondContact O-OD1 3.4Å; L269-N272 WeakPolarHBondContact O-CB 3.34Å; L269-N272 PolarHBondContact O-N 2.99Å; N272-F277 HydrophobicContact CB-CB 4.19Å; N272-F277 HydrophobicContact CB-CD1 4.43Å; N272-I278 HydrophobicContact CB-CD1 4.24Å; N272-I278 HydrophobicContact CB-CG1 3.9Å; N272-Y300 VanDerWaalsContact OD1-CE2 3.27Å; N272-Y300 WeakPolarHBondContact OD1-CE2 3.29Å; N272-Y300 PolarHBondContact OD1-OH 3.31Å
273	C	80.5	Confident	89.9	Confident	6 Å²	6	23.4 Å²	23.4	4%	0.041	11%	0.111	C	C	.	.	H	α-helix	trans	-65.1	-38.2	172.5	-71.1	0	0	0	0	112.2	L269 Y270 V271 I278 G575 R578	L269-C273 PolarHBondContact O-N 2.94Å; L269-C273 PolarHBondContact O-SG 2.98Å; L269-C273 VanDerWaalsContact O-SG 3.36Å; Y270-C273 WeakPolarHBondContact O-CB 3.35Å; Y270-C273 PolarHBondContact O-N 2.98Å; V271-C273 PolarHBondContact O-N 3.39Å; C273-I278 HydrophobicContact CB-CD1 4.29Å; C273-I278 WeakPolarHBondContact SG-CD1 3.4Å; C273-G575 WeakPolarHBondContact O-CA 3.07Å; C273-R578 HydrophobicContact CB-CB 4.23Å; C273-R578 WeakPolarHBondContact O-CD 3.45Å
274	Q	74.4	Confident	89.7	Confident	27 Å²	27	25 Å²	25	13%	0.126	12%	0.118	C	C	.	.	H	α-helix	trans	-79.1	-29.1	179	-177.3	168.4	-21.1	0	0	112.5	G80 H84 L87 Y270 V271	G80-Q274 PolarHBondContact O-NE2 3.35Å; H84-Q274 PolarHBondContact CD2-NE2 3.34Å; H84-Q274 PolarHBondContact CD2-OE1 3.31Å; L87-Q274 HydrophobicContact CD1-CG 4.41Å; Y270-Q274 PolarHBondContact O-N 3.47Å; V271-Q274 PolarHBondContact O-N 3.32Å; V271-Q274 VanDerWaalsContact O-N 3.07Å
275	Y	82.5	Confident	89.5	Confident	35 Å²	35	26 Å²	26	14%	0.137	12%	0.122	C	C	.	.	S	Bend	trans	-101.6	-153.1	-176.5	-66.3	-69.2	0	0	0	112.7	E81 H84 D236 R237 H266 V271	E81-Y275 VanDerWaalsContact CG-OH 3.28Å; E81-Y275 WeakPolarHBondContact CG-OH 3.31Å; H84-Y275 AromaticContact CE1-CE2 3.44Å; H84-Y275 VanDerWaalsContact CE1-CE2 3.44Å; H84-Y275 WeakPolarHBondContact CE1-CE2 3.48Å; H84-Y275 AromaticContact CE1-CZ 3.71Å; H84-Y275 PolarHBondContact CE1-OH 3.04Å; H84-Y275 AromaticContact NE2-CE2 3.3Å; H84-Y275 VanDerWaalsContact NE2-CE2 3.3Å; H84-Y275 WeakPolarHBondContact NE2-CE2 3.36Å; H84-Y275 AromaticContact NE2-CZ 3.4Å; H84-Y275 PolarHBondContact NE2-OH 3.39Å; D236-Y275 HydrophobicContact CB-CG 4.39Å; D236-Y275 WeakPolarHBondContact OD1-CB 3.48Å; R237-Y275 VanDerWaalsContact CZ-CE1 3.43Å; R237-Y275 PolarHBondContact NH2-OH 2.99Å; H266-Y275 AromaticContact CE1-CD2 3.39Å; H266-Y275 WeakPolarHBondContact CE1-CD2 3.48Å; H266-Y275 AromaticContact CE1-CE2 3.36Å; H266-Y275 WeakPolarHBondContact CE1-CE2 3.45Å; H266-Y275 AromaticContact CE1-CG 3.98Å; H266-Y275 AromaticContact CE1-CZ 3.91Å; H266-Y275 AromaticContact ND1-CD2 3.8Å; V271-Y275 HydrophobicContact CG1-CD2 3.61Å; V271-Y275 HydrophobicContact CG1-CE2 3.73Å; V271-Y275 WeakPolarHBondContact O-CD2 3.14Å; V271-Y275 PolarHBondContact O-N 2.76Å
276	G	84.4	Confident	89.2	Confident	25 Å²	25	33.1 Å²	33.1	26%	0.258	15%	0.153	S	C	.	.	S	Bend	trans	-97	-14.7	-161	0	0	0	0	0	114.8	D236 K279 E280	D236-G276 PolarHBondContact OD1-N 3.46Å; G276-K279 WeakPolarHBondContact O-CB 3.39Å; G276-K279 PolarHBondContact O-N 2.91Å; G276-E280 WeakPolarHBondContact O-CB 3.29Å; G276-E280 PolarHBondContact O-N 3.09Å
277	F	94.5	Very high	88.8	Confident	1 Å²	1	38.8 Å²	38.8	0%	0.004	19%	0.193	C	C	.	.	H	α-helix	trans	-70.9	-44.6	-166.2	-174.1	-133.2	0	0	0	113.1	V235 D236 S241 V242 N272 K279 E280 I281 F296 Y300	V235-F277 HydrophobicContact CB-CB 4.3Å; V235-F277 HydrophobicContact CB-CD1 4.07Å; V235-F277 HydrophobicContact CB-CD2 4.03Å; V235-F277 HydrophobicContact CB-CE1 4.36Å; V235-F277 HydrophobicContact CB-CE2 4.29Å; V235-F277 HydrophobicContact CB-CG 3.89Å; V235-F277 HydrophobicContact CB-CZ 4.45Å; V235-F277 HydrophobicContact CG1-CD1 4.2Å; V235-F277 HydrophobicContact CG1-CD2 4.17Å; V235-F277 HydrophobicContact CG1-CE1 3.97Å; V235-F277 HydrophobicContact CG1-CE2 3.91Å; V235-F277 HydrophobicContact CG1-CG 4.29Å; V235-F277 HydrophobicContact CG1-CZ 3.8Å; V235-F277 HydrophobicContact CG2-CD1 4.18Å; V235-F277 HydrophobicContact CG2-CG 4.33Å; D236-F277 WeakPolarHBondContact OD1-CB 3.43Å; D236-F277 PolarHBondContact OD1-N 3.36Å; S241-F277 VanDerWaalsContact CB-CE2 3.49Å; V242-F277 HydrophobicContact CG2-CE2 3.61Å; V242-F277 HydrophobicContact CG2-CZ 4.26Å; N272-F277 HydrophobicContact CB-CB 4.19Å; N272-F277 HydrophobicContact CB-CD1 4.43Å; F277-K279 VanDerWaalsContact C-N 3.27Å; F277-K279 PolarHBondContact O-N 3.23Å; F277-E280 VanDerWaalsContact O-CB 3.31Å; F277-E280 WeakPolarHBondContact O-CB 3.29Å; F277-E280 PolarHBondContact O-N 2.97Å; F277-E280 VanDerWaalsContact O-N 3.1Å; F277-I281 HydrophobicContact CD1-CD1 4.02Å; F277-I281 HydrophobicContact CD2-CD1 4.32Å; F277-I281 HydrophobicContact CD2-CG1 4.35Å; F277-I281 HydrophobicContact CE1-CD1 3.68Å; F277-I281 HydrophobicContact CE2-CD1 4.05Å; F277-I281 HydrophobicContact CE2-CG1 4.09Å; F277-I281 HydrophobicContact CG-CD1 4.34Å; F277-I281 HydrophobicContact CZ-CD1 3.72Å; F277-I281 HydrophobicContact CZ-CG1 4.23Å; F277-I281 WeakPolarHBondContact O-CG1 3.4Å; F277-I281 PolarHBondContact O-N 3.21Å; F277-F296 HydrophobicContact CE1-CB 4.08Å; F277-F296 HydrophobicContact CE1-CD1 4.17Å; F277-F296 HydrophobicContact CE1-CD2 4.17Å; F277-F296 AromaticContact CE1-CG 3.89Å; F277-F296 HydrophobicContact CE1-CG 3.89Å; F277-F296 AromaticContact CZ-CD1 3.98Å; F277-F296 HydrophobicContact CZ-CD1 3.98Å; F277-F296 HydrophobicContact CZ-CD2 4Å; F277-F296 HydrophobicContact CZ-CE1 4.07Å; F277-F296 HydrophobicContact CZ-CE2 4.09Å; F277-F296 AromaticContact CZ-CG 3.96Å; F277-F296 HydrophobicContact CZ-CG 3.96Å; F277-F296 HydrophobicContact CZ-CZ 4.12Å; F277-Y300 WeakPolarHBondContact CD1-OH 3.36Å; F277-Y300 WeakPolarHBondContact CE1-OH 3.24Å
278	I	91	Very high	88.6	Confident	2 Å²	2	39.3 Å²	39.3	1%	0.01	20%	0.196	C	C	.	.	H	α-helix	trans	-60.2	-42.2	175.6	-63.6	-175.8	0	0	0	110.2	L269 N272 C273 E280 I281 Q282 V293	L269-I278 HydrophobicContact CD1-CD1 3.98Å; N272-I278 HydrophobicContact CB-CD1 4.24Å; N272-I278 HydrophobicContact CB-CG1 3.9Å; C273-I278 HydrophobicContact CB-CD1 4.29Å; C273-I278 WeakPolarHBondContact SG-CD1 3.4Å; I278-E280 VanDerWaalsContact C-N 3.29Å; I278-E280 PolarHBondContact O-N 2.93Å; I278-I281 PolarHBondContact O-N 3.1Å; I278-Q282 HydrophobicContact CG2-CG 4.27Å; I278-Q282 WeakPolarHBondContact O-CB 3.39Å; I278-Q282 VanDerWaalsContact O-CG 3.31Å; I278-Q282 WeakPolarHBondContact O-CG 3.44Å; I278-Q282 PolarHBondContact O-N 2.97Å; I278-V293 HydrophobicContact CD1-CG1 4.18Å; I278-V293 HydrophobicContact CG1-CG1 4.23Å; I278-V293 HydrophobicContact CG1-CG2 4.42Å; I278-V293 HydrophobicContact CG2-CG2 4.16Å
279	K	88.1	Confident	88.5	Confident	99 Å²	99	39.1 Å²	39.1	43%	0.43	20%	0.196	S	C	.	.	H	α-helix	trans	-59.5	-41.4	175.7	-165.1	172.1	-165.8	154.8	0	112.1	G276 F277 K283 E574 R578	G276-K279 WeakPolarHBondContact O-CB 3.39Å; G276-K279 PolarHBondContact O-N 2.91Å; F277-K279 VanDerWaalsContact C-N 3.27Å; F277-K279 PolarHBondContact O-N 3.23Å; K279-K283 VanDerWaalsContact O-CB 3.27Å; K279-K283 WeakPolarHBondContact O-CB 3Å; K279-K283 PolarHBondContact O-N 2.97Å; K279-E574 WeakPolarHBondContact CE-OE1 3.43Å; K279-E574 IonicContact NZ-OE1 3.82Å; K279-E574 PolarHBondContact NZ-OE1 2.81Å; K279-E574 IonicContact NZ-OE2 2.76Å; K279-E574 PolarHBondContact NZ-OE2 2.73Å; K279-R578 VanDerWaalsContact CB-NH2 3.26Å; K279-R578 VanDerWaalsContact N-NH1 3.17Å
280	E	94.7	Very high	88.6	Confident	16 Å²	16	38.2 Å²	38.2	8%	0.075	19%	0.193	C	C	.	.	H	α-helix	trans	-61.6	-47.9	176.8	-170.7	-171.9	134.6	0	0	110.8	K240 S241 V242 G276 F277 I278 K283 K284	K240-E280 PolarHBondContact N-OE2 2.85Å; S241-E280 WeakPolarHBondContact CB-OE2 3.47Å; S241-E280 PolarHBondContact N-OE1 3.26Å; S241-E280 PolarHBondContact N-OE2 3.47Å; S241-E280 PolarHBondContact OG-OE2 3.39Å; V242-E280 WeakPolarHBondContact CG2-OE1 3.18Å; V242-E280 PolarHBondContact N-OE1 2.84Å; G276-E280 WeakPolarHBondContact O-CB 3.29Å; G276-E280 PolarHBondContact O-N 3.09Å; F277-E280 VanDerWaalsContact O-CB 3.31Å; F277-E280 WeakPolarHBondContact O-CB 3.29Å; F277-E280 PolarHBondContact O-N 2.97Å; F277-E280 VanDerWaalsContact O-N 3.1Å; I278-E280 VanDerWaalsContact C-N 3.29Å; I278-E280 PolarHBondContact O-N 2.93Å; E280-K283 PolarHBondContact O-N 3.23Å; E280-K284 VanDerWaalsContact CD-NZ 3.33Å; E280-K284 HydrophobicContact CG-CD 3.94Å; E280-K284 WeakPolarHBondContact O-CB 3.09Å; E280-K284 VanDerWaalsContact O-CG 3.29Å; E280-K284 WeakPolarHBondContact O-CG 3.47Å; E280-K284 PolarHBondContact O-N 3.42Å; E280-K284 IonicContact OE1-NZ 3.43Å; E280-K284 PolarHBondContact OE1-NZ 3.48Å
281	I	95.6	Very high	88.9	Confident	1 Å²	1	39.2 Å²	39.2	1%	0.005	20%	0.2	C	C	.	.	H	α-helix	trans	-63.1	-49.4	178.7	-63.5	166.9	0	0	0	110.6	V242 F277 I278 K283 K284 Y285 A289 L292 V293 F296	V242-I281 HydrophobicContact CG2-CG1 4.06Å; F277-I281 HydrophobicContact CD1-CD1 4.02Å; F277-I281 HydrophobicContact CD2-CD1 4.32Å; F277-I281 HydrophobicContact CD2-CG1 4.35Å; F277-I281 HydrophobicContact CE1-CD1 3.68Å; F277-I281 HydrophobicContact CE2-CD1 4.05Å; F277-I281 HydrophobicContact CE2-CG1 4.09Å; F277-I281 HydrophobicContact CG-CD1 4.34Å; F277-I281 HydrophobicContact CZ-CD1 3.72Å; F277-I281 HydrophobicContact CZ-CG1 4.23Å; F277-I281 WeakPolarHBondContact O-CG1 3.4Å; F277-I281 PolarHBondContact O-N 3.21Å; I278-I281 PolarHBondContact O-N 3.1Å; I281-K283 VanDerWaalsContact C-N 3.32Å; I281-K283 PolarHBondContact O-N 2.9Å; I281-K284 PolarHBondContact O-N 3.43Å; I281-K284 VanDerWaalsContact O-N 3.14Å; I281-Y285 HydrophobicContact CG2-CD2 4.06Å; I281-Y285 WeakPolarHBondContact O-CB 3.32Å; I281-Y285 PolarHBondContact O-N 2.93Å; I281-A289 HydrophobicContact CG2-CB 3.98Å; I281-L292 HydrophobicContact CG2-CB 3.95Å; I281-L292 HydrophobicContact CG2-CD1 4.49Å; I281-V293 HydrophobicContact CB-CG2 4.25Å; I281-V293 HydrophobicContact CD1-CG2 3.92Å; I281-V293 HydrophobicContact CG2-CG2 4.03Å; I281-F296 HydrophobicContact CD1-CD2 3.64Å; I281-F296 HydrophobicContact CD1-CE2 4.01Å; I281-F296 HydrophobicContact CG1-CE2 4.45Å
282	Q	91.5	Very high	89.3	Confident	24 Å²	24	39.1 Å²	39.1	11%	0.112	20%	0.199	C	C	.	.	H	α-helix	trans	-53.6	-48.7	177.1	-75.5	173.6	-24	0	0	111.6	I278 K284 K286 A289 D581 N584	I278-Q282 HydrophobicContact CG2-CG 4.27Å; I278-Q282 WeakPolarHBondContact O-CB 3.39Å; I278-Q282 VanDerWaalsContact O-CG 3.31Å; I278-Q282 WeakPolarHBondContact O-CG 3.44Å; I278-Q282 PolarHBondContact O-N 2.97Å; Q282-K284 PolarHBondContact O-N 2.78Å; Q282-K286 WeakPolarHBondContact O-CA 3.3Å; Q282-K286 PolarHBondContact O-N 3.16Å; Q282-A289 HydrophobicContact CB-CB 4.42Å; Q282-A289 HydrophobicContact CG-CB 4.11Å; Q282-D581 PolarHBondContact NE2-OD2 3.16Å; Q282-N584 WeakPolarHBondContact CG-O 3.27Å; Q282-N584 PolarHBondContact NE2-O 2.86Å
283	K	92.3	Very high	89.4	Confident	175 Å²	175	39.2 Å²	39.2	76%	0.761	20%	0.2	S	C	*	.	H	α-helix	trans	-63.4	-41.2	178.5	-174.6	179.6	-179.7	178.3	0	112.6	K279 E280 I281	K279-K283 VanDerWaalsContact O-CB 3.27Å; K279-K283 WeakPolarHBondContact O-CB 3Å; K279-K283 PolarHBondContact O-N 2.97Å; E280-K283 PolarHBondContact O-N 3.23Å; I281-K283 VanDerWaalsContact C-N 3.32Å; I281-K283 PolarHBondContact O-N 2.9Å
284	K	93.9	Very high	89.8	Confident	34 Å²	34	42.1 Å²	42.1	15%	0.148	21%	0.212	C	C	.	.	H	α-helix	trans	-79.2	-38.9	-174.1	-73.7	179.6	-176.2	177.6	0	113	R165 R239 E243 E280 I281 Q282	R165-K284 PolarHBondContact NH1-O 3.43Å; R239-K284 PolarHBondContact O-NZ 2.75Å; E243-K284 IonicContact OE1-NZ 2.67Å; E243-K284 PolarHBondContact OE1-NZ 3Å; E243-K284 IonicContact OE2-NZ 2.89Å; E243-K284 PolarHBondContact OE2-NZ 3.37Å; E280-K284 VanDerWaalsContact CD-NZ 3.33Å; E280-K284 HydrophobicContact CG-CD 3.94Å; E280-K284 WeakPolarHBondContact O-CB 3.09Å; E280-K284 VanDerWaalsContact O-CG 3.29Å; E280-K284 WeakPolarHBondContact O-CG 3.47Å; E280-K284 PolarHBondContact O-N 3.42Å; E280-K284 IonicContact OE1-NZ 3.43Å; E280-K284 PolarHBondContact OE1-NZ 3.48Å; I281-K284 PolarHBondContact O-N 3.43Å; I281-K284 VanDerWaalsContact O-N 3.14Å; Q282-K284 PolarHBondContact O-N 2.78Å
285	Y	92.8	Very high	90.7	Very high	20 Å²	20	40.9 Å²	40.9	8%	0.078	21%	0.206	C	C	.	.	H	α-helix	trans	-116.9	-10.1	-165.3	-63.8	-76.7	0	0	0	115.3	I166 A168 V171 V242 I281 S287 S288 L292	I166-Y285 VanDerWaalsContact O-CE1 3.27Å; I166-Y285 WeakPolarHBondContact O-CE1 3.3Å; I166-Y285 PolarHBondContact O-OH 2.99Å; A168-Y285 HydrophobicContact CB-CD1 3.98Å; A168-Y285 HydrophobicContact CB-CE1 4.43Å; V171-Y285 HydrophobicContact CG2-CE1 3.83Å; V171-Y285 VanDerWaalsContact CG2-OH 3.32Å; V171-Y285 WeakPolarHBondContact CG2-OH 3.37Å; V242-Y285 HydrophobicContact CG1-CE2 4.18Å; V242-Y285 HydrophobicContact CG2-CE2 4.28Å; I281-Y285 HydrophobicContact CG2-CD2 4.06Å; I281-Y285 WeakPolarHBondContact O-CB 3.32Å; I281-Y285 PolarHBondContact O-N 2.93Å; Y285-S287 PolarHBondContact O-N 2.9Å; Y285-S288 PolarHBondContact O-N 3.39Å; Y285-L292 HydrophobicContact CD1-CD1 3.65Å; Y285-L292 HydrophobicContact CD2-CD1 3.76Å; Y285-L292 HydrophobicContact CE1-CD1 4.22Å; Y285-L292 HydrophobicContact CE2-CD1 4.34Å; Y285-L292 HydrophobicContact CG-CD1 3.39Å
286	K	89.4	Confident	91.4	Very high	152 Å²	152	39.2 Å²	39.2	66%	0.661	20%	0.2	S	C	*	.	G	3₁₀ helix	trans	49.1	-111.4	171.7	-57.5	-176.3	176.7	-171.2	0	112.4	Q282 S288 A289	Q282-K286 WeakPolarHBondContact O-CA 3.3Å; Q282-K286 PolarHBondContact O-N 3.16Å; K286-S288 PolarHBondContact O-N 2.9Å; K286-S288 VanDerWaalsContact O-N 3.13Å; K286-A289 WeakPolarHBondContact O-CB 3.32Å; K286-A289 PolarHBondContact O-N 3.02Å
287	S	87.5	Confident	91.7	Very high	121 Å²	121	38.1 Å²	38.1	85%	0.846	19%	0.188	S	C	*	.	G	3₁₀ helix	trans	-60.6	-23.3	-177.4	54	0	0	0	0	114.6	Y285	Y285-S287 PolarHBondContact O-N 2.9Å
288	S	91	Very high	91.6	Very high	11 Å²	11	38.1 Å²	38.1	8%	0.077	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-92.7	-2.4	174.7	-57.1	0	0	0	0	113.3	Y285 K286 G290 L292	Y285-S288 PolarHBondContact O-N 3.39Å; K286-S288 PolarHBondContact O-N 2.9Å; K286-S288 VanDerWaalsContact O-N 3.13Å; S288-G290 PolarHBondContact O-N 3.37Å; S288-L292 WeakPolarHBondContact O-CB 3.46Å; S288-L292 VanDerWaalsContact O-CG 3.29Å; S288-L292 WeakPolarHBondContact O-CG 3.48Å; S288-L292 PolarHBondContact O-N 3.29Å; S288-L292 VanDerWaalsContact O-N 3.12Å
289	A	91.2	Very high	91.8	Very high	1 Å²	1	38 Å²	38	1%	0.008	19%	0.188	C	C	.	.	H	α-helix	trans	-62	-44.6	-173.6	0	0	0	0	0	112.2	I281 Q282 K286 M291 L292 V293	I281-A289 HydrophobicContact CG2-CB 3.98Å; Q282-A289 HydrophobicContact CB-CB 4.42Å; Q282-A289 HydrophobicContact CG-CB 4.11Å; K286-A289 WeakPolarHBondContact O-CB 3.32Å; K286-A289 PolarHBondContact O-N 3.02Å; A289-M291 PolarHBondContact O-N 3.38Å; A289-L292 PolarHBondContact O-N 2.76Å; A289-L292 VanDerWaalsContact O-N 3.15Å; A289-V293 WeakPolarHBondContact O-CG2 3.45Å; A289-V293 PolarHBondContact O-N 3.3Å
290	G	87.2	Confident	92.2	Very high	10 Å²	10	33.3 Å²	33.3	10%	0.103	17%	0.167	C	C	.	.	H	α-helix	trans	-54.1	-53.6	-178.2	0	0	0	0	0	114.3	S288 V293 K294 D583	S288-G290 PolarHBondContact O-N 3.37Å; G290-V293 PolarHBondContact O-N 2.79Å; G290-K294 PolarHBondContact O-N 3.44Å; G290-D583 WeakPolarHBondContact CA-O 3.3Å
291	M	89.4	Confident	92.1	Very high	58 Å²	58	33 Å²	33	29%	0.286	17%	0.165	S	C	.	.	H	α-helix	trans	-69.8	-32.7	178.6	-65.1	-61.8	-97.7	0	0	112.4	I126 W131 A289 K294 C295	I126-M291 HydrophobicContact CG2-CE 4.24Å; W131-M291 HydrophobicContact CB-CE 3.81Å; W131-M291 HydrophobicContact CB-CG 4.39Å; W131-M291 VanDerWaalsContact CD1-CE 3.47Å; W131-M291 HydrophobicContact CD2-CB 3.55Å; W131-M291 HydrophobicContact CD2-CE 4.09Å; W131-M291 HydrophobicContact CD2-CG 3.79Å; W131-M291 HydrophobicContact CE3-CB 3.36Å; W131-M291 HydrophobicContact CE3-CG 3.78Å; W131-M291 HydrophobicContact CG-CB 4.31Å; W131-M291 HydrophobicContact CG-CE 3.51Å; W131-M291 HydrophobicContact CG-CG 4.07Å; W131-M291 HydrophobicContact CH2-CB 3.63Å; W131-M291 HydrophobicContact CZ2-CB 3.8Å; W131-M291 HydrophobicContact CZ3-CB 3.41Å; W131-M291 VanDerWaalsContact CZ3-CB 3.41Å; W131-M291 HydrophobicContact CZ3-CG 4.31Å; A289-M291 PolarHBondContact O-N 3.38Å; M291-K294 PolarHBondContact O-N 2.68Å; M291-K294 HydrophobicContact SD-CD 4.18Å; M291-C295 PolarHBondContact O-N 3Å; M291-C295 PolarHBondContact O-SG 3.05Å
292	L	93.1	Very high	92	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-66.3	-41.1	174.5	-75.6	175.2	0	0	0	112.3	W131 A168 V171 I281 Y285 S288 A289 K294 C295 F296	W131-L292 HydrophobicContact CH2-CD2 3.92Å; W131-L292 HydrophobicContact CH2-CG 4.1Å; A168-L292 HydrophobicContact CB-CD1 4.01Å; V171-L292 HydrophobicContact CB-CD2 4.02Å; V171-L292 HydrophobicContact CG1-CD2 3.79Å; I281-L292 HydrophobicContact CG2-CB 3.95Å; I281-L292 HydrophobicContact CG2-CD1 4.49Å; Y285-L292 HydrophobicContact CD1-CD1 3.65Å; Y285-L292 HydrophobicContact CD2-CD1 3.76Å; Y285-L292 HydrophobicContact CE1-CD1 4.22Å; Y285-L292 HydrophobicContact CE2-CD1 4.34Å; Y285-L292 HydrophobicContact CG-CD1 3.39Å; S288-L292 WeakPolarHBondContact O-CB 3.46Å; S288-L292 VanDerWaalsContact O-CG 3.29Å; S288-L292 WeakPolarHBondContact O-CG 3.48Å; S288-L292 PolarHBondContact O-N 3.29Å; S288-L292 VanDerWaalsContact O-N 3.12Å; A289-L292 PolarHBondContact O-N 2.76Å; A289-L292 VanDerWaalsContact O-N 3.15Å; L292-K294 VanDerWaalsContact C-N 3.31Å; L292-K294 PolarHBondContact O-N 2.91Å; L292-C295 WeakPolarHBondContact O-CB 3.39Å; L292-C295 PolarHBondContact O-N 3.19Å; L292-C295 VanDerWaalsContact O-N 3.15Å; L292-F296 WeakPolarHBondContact O-CD2 3.43Å; L292-F296 PolarHBondContact O-N 3.4Å
293	V	92	Very high	92.3	Very high	5 Å²	5	32.7 Å²	32.7	3%	0.03	16%	0.163	C	C	.	.	H	α-helix	trans	-57.7	-46.5	173.9	171.5	0	0	0	0	110	L269 I278 I281 A289 G290 C295 F296 A297 N584	L269-V293 HydrophobicContact CD1-CG1 3.72Å; I278-V293 HydrophobicContact CD1-CG1 4.18Å; I278-V293 HydrophobicContact CG1-CG1 4.23Å; I278-V293 HydrophobicContact CG1-CG2 4.42Å; I278-V293 HydrophobicContact CG2-CG2 4.16Å; I281-V293 HydrophobicContact CB-CG2 4.25Å; I281-V293 HydrophobicContact CD1-CG2 3.92Å; I281-V293 HydrophobicContact CG2-CG2 4.03Å; A289-V293 WeakPolarHBondContact O-CG2 3.45Å; A289-V293 PolarHBondContact O-N 3.3Å; G290-V293 PolarHBondContact O-N 2.79Å; V293-C295 VanDerWaalsContact C-N 3.35Å; V293-C295 PolarHBondContact O-N 3.06Å; V293-F296 PolarHBondContact O-N 3.34Å; V293-A297 WeakPolarHBondContact O-CB 3.44Å; V293-A297 PolarHBondContact O-N 2.79Å; V293-N584 HydrophobicContact CB-CB 4.38Å; V293-N584 HydrophobicContact CG2-CB 4.27Å
294	K	89.9	Confident	92.6	Very high	68 Å²	68	24.4 Å²	24.4	30%	0.296	13%	0.127	S	C	.	.	H	α-helix	trans	-58.8	-43.9	174.4	-66.8	178.8	-176.9	-179.4	0	112.1	G290 M291 L292 F296 A297 E298	G290-K294 PolarHBondContact O-N 3.44Å; M291-K294 PolarHBondContact O-N 2.68Å; M291-K294 HydrophobicContact SD-CD 4.18Å; L292-K294 VanDerWaalsContact C-N 3.31Å; L292-K294 PolarHBondContact O-N 2.91Å; K294-F296 PolarHBondContact O-N 3.49Å; K294-A297 PolarHBondContact O-N 2.98Å; K294-E298 VanDerWaalsContact O-CB 3.25Å; K294-E298 WeakPolarHBondContact O-CB 3.47Å; K294-E298 VanDerWaalsContact O-CG 3.28Å; K294-E298 WeakPolarHBondContact O-CG 3.48Å; K294-E298 PolarHBondContact O-N 3.1Å
295	C	93.3	Very high	92.8	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-63.2	-41.5	177.9	-67.3	0	0	0	0	113	W127 L175 M291 L292 V293 F299	W127-C295 HydrophobicContact CH2-CB 4.47Å; L175-C295 HydrophobicContact CD1-CB 3.79Å; M291-C295 PolarHBondContact O-N 3Å; M291-C295 PolarHBondContact O-SG 3.05Å; L292-C295 WeakPolarHBondContact O-CB 3.39Å; L292-C295 PolarHBondContact O-N 3.19Å; L292-C295 VanDerWaalsContact O-N 3.15Å; V293-C295 VanDerWaalsContact C-N 3.35Å; V293-C295 PolarHBondContact O-N 3.06Å; C295-F299 VanDerWaalsContact O-CB 3.25Å; C295-F299 WeakPolarHBondContact O-CB 3.44Å; C295-F299 PolarHBondContact O-N 3.49Å
296	F	95.7	Very high	93.1	Very high	1 Å²	1	21.8 Å²	21.8	0%	0.004	12%	0.116	C	C	.	.	H	α-helix	trans	-66.7	-47.5	176	-80.2	-69.7	0	0	0	111.5	V171 L175 V242 L245 F277 I281 L292 V293 K294 E298 F299 Y300	V171-F296 HydrophobicContact CG1-CE2 3.97Å; V171-F296 HydrophobicContact CG1-CZ 3.74Å; L175-F296 HydrophobicContact CD1-CD1 4.04Å; L175-F296 HydrophobicContact CD1-CD2 4.37Å; L175-F296 HydrophobicContact CD1-CE1 4.01Å; L175-F296 HydrophobicContact CD1-CE2 4.34Å; L175-F296 HydrophobicContact CD1-CG 4.22Å; L175-F296 HydrophobicContact CD1-CZ 4.16Å; L175-F296 HydrophobicContact CD2-CD1 3.92Å; L175-F296 HydrophobicContact CD2-CE1 3.79Å; L175-F296 HydrophobicContact CG-CE1 4.35Å; V242-F296 HydrophobicContact CG1-CZ 4.48Å; L245-F296 HydrophobicContact CD2-CD1 3.76Å; L245-F296 HydrophobicContact CD2-CE1 3.65Å; L245-F296 HydrophobicContact CG-CE1 4.45Å; F277-F296 HydrophobicContact CE1-CB 4.08Å; F277-F296 HydrophobicContact CE1-CD1 4.17Å; F277-F296 HydrophobicContact CE1-CD2 4.17Å; F277-F296 AromaticContact CE1-CG 3.89Å; F277-F296 HydrophobicContact CE1-CG 3.89Å; F277-F296 AromaticContact CZ-CD1 3.98Å; F277-F296 HydrophobicContact CZ-CD1 3.98Å; F277-F296 HydrophobicContact CZ-CD2 4Å; F277-F296 HydrophobicContact CZ-CE1 4.07Å; F277-F296 HydrophobicContact CZ-CE2 4.09Å; F277-F296 AromaticContact CZ-CG 3.96Å; F277-F296 HydrophobicContact CZ-CG 3.96Å; F277-F296 HydrophobicContact CZ-CZ 4.12Å; I281-F296 HydrophobicContact CD1-CD2 3.64Å; I281-F296 HydrophobicContact CD1-CE2 4.01Å; I281-F296 HydrophobicContact CG1-CE2 4.45Å; L292-F296 WeakPolarHBondContact O-CD2 3.43Å; L292-F296 PolarHBondContact O-N 3.4Å; V293-F296 PolarHBondContact O-N 3.34Å; K294-F296 PolarHBondContact O-N 3.49Å; F296-E298 VanDerWaalsContact C-N 3.31Å; F296-E298 PolarHBondContact O-N 3.31Å; F296-F299 WeakPolarHBondContact O-CB 3.49Å; F296-F299 PolarHBondContact O-N 2.98Å; F296-Y300 WeakPolarHBondContact O-CD1 3.37Å; F296-Y300 VanDerWaalsContact O-CG 3.28Å; F296-Y300 PolarHBondContact O-N 3.11Å; F296-Y300 VanDerWaalsContact O-N 3.1Å
297	A	91.8	Very high	93.5	Very high	2 Å²	2	14.6 Å²	14.6	2%	0.017	9%	0.085	C	C	.	.	H	α-helix	trans	-58.3	-43.8	177.7	0	0	0	0	0	112	L122 L269 V293 K294 Y300 L338	L122-A297 HydrophobicContact CD1-CB 4.3Å; L269-A297 HydrophobicContact CB-CB 3.95Å; L269-A297 HydrophobicContact CD1-CB 4.11Å; L269-A297 HydrophobicContact CD2-CB 4.23Å; L269-A297 HydrophobicContact CG-CB 4.32Å; V293-A297 WeakPolarHBondContact O-CB 3.44Å; V293-A297 PolarHBondContact O-N 2.79Å; K294-A297 PolarHBondContact O-N 2.98Å; A297-Y300 PolarHBondContact O-N 3.36Å; A297-L338 HydrophobicContact CB-CD1 4.15Å
298	E	91.7	Very high	94	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-64.8	-39.9	173.1	-78.5	-70.1	134.3	0	0	112.3	L122 I126 W127 K294 F296 Y300 R301 Y302	L122-E298 WeakPolarHBondContact CA-OE1 3.33Å; L122-E298 HydrophobicContact CB-CG 3.79Å; L122-E298 WeakPolarHBondContact CB-OE1 3.47Å; L122-E298 HydrophobicContact CD1-CG 3.85Å; L122-E298 WeakPolarHBondContact CD1-OE1 3.21Å; L122-E298 HydrophobicContact CG-CG 4.33Å; L122-E298 WeakPolarHBondContact CG-OE1 3.41Å; L122-E298 PolarHBondContact N-OE1 3.06Å; I126-E298 HydrophobicContact CD1-CB 3.88Å; I126-E298 HydrophobicContact CD1-CG 3.55Å; W127-E298 HydrophobicContact CZ2-CB 3.77Å; K294-E298 VanDerWaalsContact O-CB 3.25Å; K294-E298 WeakPolarHBondContact O-CB 3.47Å; K294-E298 VanDerWaalsContact O-CG 3.28Å; K294-E298 WeakPolarHBondContact O-CG 3.48Å; K294-E298 PolarHBondContact O-N 3.1Å; F296-E298 VanDerWaalsContact C-N 3.31Å; F296-E298 PolarHBondContact O-N 3.31Å; E298-Y300 VanDerWaalsContact C-N 3.3Å; E298-Y300 PolarHBondContact O-N 3.13Å; E298-R301 VanDerWaalsContact CD-NH2 3.32Å; E298-R301 VanDerWaalsContact O-CG 3.28Å; E298-R301 WeakPolarHBondContact O-CG 3.33Å; E298-R301 IonicContact OE1-CZ 2.73Å; E298-R301 IonicContact OE1-NE 3Å; E298-R301 IonicContact OE1-NH1 2.67Å; E298-R301 PolarHBondContact OE1-NH1 3.36Å; E298-R301 IonicContact OE1-NH2 3.06Å; E298-R301 PolarHBondContact OE1-NH2 3.21Å; E298-R301 IonicContact OE2-CZ 3.09Å; E298-R301 IonicContact OE2-NE 3.16Å; E298-R301 IonicContact OE2-NH1 3.16Å; E298-R301 PolarHBondContact OE2-NH1 3.22Å; E298-R301 IonicContact OE2-NH2 2.75Å; E298-Y302 WeakPolarHBondContact O-CD2 3.1Å; E298-Y302 WeakPolarHBondContact O-CE2 3.1Å
299	F	95.3	Very high	94.4	Very high	1 Å²	1	9 Å²	9	0%	0.004	4%	0.044	C	C	.	.	H	α-helix	trans	-62.1	-34.8	178.9	177.6	-99.6	0	0	0	112.8	W127 L175 R179 I182 L249 C295 F296 R301 Y302 I303	W127-F299 HydrophobicContact CH2-CB 4.45Å; L175-F299 HydrophobicContact CD2-CB 4.18Å; L175-F299 HydrophobicContact CD2-CD1 4.16Å; L175-F299 HydrophobicContact CD2-CD2 4.26Å; L175-F299 HydrophobicContact CD2-CG 3.91Å; R179-F299 HydrophobicContact CB-CD2 4.29Å; I182-F299 HydrophobicContact CG2-CE2 4.36Å; L249-F299 HydrophobicContact CD1-CE1 3.98Å; L249-F299 HydrophobicContact CD1-CZ 4.01Å; L249-F299 HydrophobicContact CD2-CE1 3.76Å; L249-F299 HydrophobicContact CD2-CZ 3.46Å; L249-F299 VanDerWaalsContact CD2-CZ 3.46Å; L249-F299 HydrophobicContact CG-CE1 4.5Å; L249-F299 HydrophobicContact CG-CZ 4.4Å; C295-F299 VanDerWaalsContact O-CB 3.25Å; C295-F299 WeakPolarHBondContact O-CB 3.44Å; C295-F299 PolarHBondContact O-N 3.49Å; F296-F299 WeakPolarHBondContact O-CB 3.49Å; F296-F299 PolarHBondContact O-N 2.98Å; F299-R301 VanDerWaalsContact C-N 3.3Å; F299-R301 PolarHBondContact O-N 2.98Å; F299-Y302 WeakPolarHBondContact O-CB 3.13Å; F299-Y302 WeakPolarHBondContact O-CD2 3.43Å; F299-Y302 PolarHBondContact O-N 3.39Å; F299-I303 HydrophobicContact CD1-CD1 4.23Å; F299-I303 HydrophobicContact CD1-CG1 4.34Å; F299-I303 HydrophobicContact CE1-CD1 3.9Å; F299-I303 HydrophobicContact CE1-CG1 3.87Å; F299-I303 HydrophobicContact CZ-CG1 4.41Å
300	Y	96.2	Very high	94.6	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-59.2	-33.4	-175.2	-62.2	-30.8	0	0	0	115	L245 E267 N272 F277 F296 A297 E298 Y302 I303	L245-Y300 HydrophobicContact CD2-CE1 4.35Å; E267-Y300 HydrophobicContact CB-CD1 3.62Å; E267-Y300 HydrophobicContact CB-CD2 4.22Å; E267-Y300 HydrophobicContact CB-CE1 3.97Å; E267-Y300 HydrophobicContact CB-CG 3.76Å; E267-Y300 HydrophobicContact CG-CD1 3.7Å; E267-Y300 HydrophobicContact CG-CE1 3.72Å; E267-Y300 HydrophobicContact CG-CG 4.37Å; E267-Y300 WeakPolarHBondContact O-CB 3.02Å; E267-Y300 WeakPolarHBondContact O-CD2 3.04Å; N272-Y300 VanDerWaalsContact OD1-CE2 3.27Å; N272-Y300 WeakPolarHBondContact OD1-CE2 3.29Å; N272-Y300 PolarHBondContact OD1-OH 3.31Å; F277-Y300 WeakPolarHBondContact CD1-OH 3.36Å; F277-Y300 WeakPolarHBondContact CE1-OH 3.24Å; F296-Y300 WeakPolarHBondContact O-CD1 3.37Å; F296-Y300 VanDerWaalsContact O-CG 3.28Å; F296-Y300 PolarHBondContact O-N 3.11Å; F296-Y300 VanDerWaalsContact O-N 3.1Å; A297-Y300 PolarHBondContact O-N 3.36Å; E298-Y300 VanDerWaalsContact C-N 3.3Å; E298-Y300 PolarHBondContact O-N 3.13Å; Y300-Y302 PolarHBondContact O-N 3.23Å; Y300-I303 HydrophobicContact CD1-CD1 4.02Å; Y300-I303 PolarHBondContact O-N 3.26Å
301	R	92.4	Very high	95.1	Very high	9 Å²	9	15.8 Å²	15.8	3%	0.034	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-18.8	177.9	77.9	-168.9	47.3	176.9	-13.6	113.5	E298 F299 R334 F335 L338	E298-R301 VanDerWaalsContact CD-NH2 3.32Å; E298-R301 VanDerWaalsContact O-CG 3.28Å; E298-R301 WeakPolarHBondContact O-CG 3.33Å; E298-R301 IonicContact OE1-CZ 2.73Å; E298-R301 IonicContact OE1-NE 3Å; E298-R301 IonicContact OE1-NH1 2.67Å; E298-R301 PolarHBondContact OE1-NH1 3.36Å; E298-R301 IonicContact OE1-NH2 3.06Å; E298-R301 PolarHBondContact OE1-NH2 3.21Å; E298-R301 IonicContact OE2-CZ 3.09Å; E298-R301 IonicContact OE2-NE 3.16Å; E298-R301 IonicContact OE2-NH1 3.16Å; E298-R301 PolarHBondContact OE2-NH1 3.22Å; E298-R301 IonicContact OE2-NH2 2.75Å; F299-R301 VanDerWaalsContact C-N 3.3Å; F299-R301 PolarHBondContact O-N 2.98Å; R301-R334 WeakPolarHBondContact O-CG 3.27Å; R301-F335 WeakPolarHBondContact CD-O 3.37Å; R301-F335 HydrophobicContact CG-CD1 4.4Å; R301-L338 VanDerWaalsContact NH2-CD1 3.29Å
302	Y	95.1	Very high	95.4	Very high	19 Å²	19	16.9 Å²	16.9	8%	0.075	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-18.4	-179.6	-62.4	-88.6	0	0	0	112.5	R179 M183 E298 F299 Y300 P304 R334 F335	R179-Y302 HydrophobicContact CG-CD1 3.89Å; R179-Y302 HydrophobicContact CG-CD2 3.94Å; R179-Y302 HydrophobicContact CG-CE1 3.88Å; R179-Y302 HydrophobicContact CG-CE2 3.9Å; R179-Y302 HydrophobicContact CG-CG 3.94Å; M183-Y302 HydrophobicContact CB-CD1 4.16Å; M183-Y302 HydrophobicContact CE-CD1 4.08Å; M183-Y302 HydrophobicContact CE-CE1 3.4Å; M183-Y302 HydrophobicContact CG-CD1 4.2Å; M183-Y302 HydrophobicContact CG-CE1 4.26Å; E298-Y302 WeakPolarHBondContact O-CD2 3.1Å; E298-Y302 WeakPolarHBondContact O-CE2 3.1Å; F299-Y302 WeakPolarHBondContact O-CB 3.13Å; F299-Y302 WeakPolarHBondContact O-CD2 3.43Å; F299-Y302 PolarHBondContact O-N 3.39Å; Y300-Y302 PolarHBondContact O-N 3.23Å; Y302-P304 WeakPolarHBondContact O-CD 3.3Å; Y302-R334 PolarHBondContact O-NE 3.43Å; Y302-R334 PolarHBondContact O-NH2 2.87Å; Y302-F335 AromaticContact CD1-CD1 3.7Å; Y302-F335 HydrophobicContact CD1-CD1 3.7Å; Y302-F335 AromaticContact CD1-CE1 3.5Å; Y302-F335 HydrophobicContact CD1-CE1 3.5Å; Y302-F335 AromaticContact CE1-CD1 3.96Å; Y302-F335 HydrophobicContact CE1-CD1 3.96Å; Y302-F335 HydrophobicContact CE1-CE1 4.07Å; Y302-F335 HydrophobicContact CG-CD1 4.29Å; Y302-F335 HydrophobicContact CG-CE1 4.22Å
303	I	97.8	Very high	95.7	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	8%	0.083	C	C	.	.	S	Bend	trans	-68.8	126.7	-177.3	-52.7	176.7	0	0	0	109.8	I261 N262 R263 E267 F299 Y300 R334	I261-I303 HydrophobicContact CG2-CG2 3.93Å; N262-I303 VanDerWaalsContact C-CG2 3.48Å; R263-I303 HydrophobicContact CB-CB 4.02Å; R263-I303 HydrophobicContact CB-CG2 3.88Å; R263-I303 HydrophobicContact CG-CB 4.36Å; R263-I303 VanDerWaalsContact N-CG2 3.29Å; E267-I303 HydrophobicContact CB-CD1 4.34Å; E267-I303 HydrophobicContact CG-CD1 3.96Å; F299-I303 HydrophobicContact CD1-CD1 4.23Å; F299-I303 HydrophobicContact CD1-CG1 4.34Å; F299-I303 HydrophobicContact CE1-CD1 3.9Å; F299-I303 HydrophobicContact CE1-CG1 3.87Å; F299-I303 HydrophobicContact CZ-CG1 4.41Å; Y300-I303 HydrophobicContact CD1-CD1 4.02Å; Y300-I303 PolarHBondContact O-N 3.26Å; I303-R334 WeakPolarHBondContact O-CD 3.32Å
304	P	98	Very high	96	Very high	0 Å²	0	17 Å²	17	0%	0	8%	0.082	C	C	.	.			trans	-55.1	155.4	173.9	-28.6	37.4	0	0	0	113	I182 R185 N187 Q189 N262 R263 Y302	I182-P304 HydrophobicContact CD1-CG 4.22Å; I182-P304 HydrophobicContact CG1-CG 4.13Å; R185-P304 HydrophobicContact CB-CG 4.12Å; N187-P304 WeakPolarHBondContact O-CB 3.28Å; Q189-P304 HydrophobicContact CG-CB 3.8Å; Q189-P304 HydrophobicContact CG-CG 3.9Å; N262-P304 CarbonylContact C-O 3.5Å; N262-P304 WeakPolarHBondContact CA-O 3.5Å; R263-P304 PolarHBondContact N-O 3.11Å; Y302-P304 WeakPolarHBondContact O-CD 3.3Å
305	V	97.6	Very high	96.5	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.068	C	C	.	.	S	Bend	trans	-89.7	-26.9	-172	-46.7	0	0	0	0	112.7	N187 I188 L332 Y357 L360	N187-V305 HydrophobicContact CB-CG1 4.41Å; N187-V305 HydrophobicContact CB-CG2 4.04Å; N187-V305 WeakPolarHBondContact O-CG2 3.36Å; N187-V305 PolarHBondContact O-N 3.45Å; I188-V305 HydrophobicContact CG1-CG2 4.47Å; V305-L332 HydrophobicContact CG1-CD2 4.34Å; V305-Y357 HydrophobicContact CB-CD2 4.19Å; V305-Y357 HydrophobicContact CB-CE2 3.76Å; V305-Y357 HydrophobicContact CG1-CD2 3.88Å; V305-Y357 HydrophobicContact CG1-CE1 4.24Å; V305-Y357 HydrophobicContact CG1-CE2 3.29Å; V305-Y357 VanDerWaalsContact CG1-CZ 3.48Å; V305-L360 HydrophobicContact CB-CD1 4.15Å; V305-L360 HydrophobicContact CG2-CD1 3.81Å
306	A	98.7	Very high	96.7	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159	170.3	-177.2	0	0	0	0	0	112.3	N187 I188 Q189 N262 F314 V315	N187-A306 PolarHBondContact O-N 2.6Å; I188-A306 WeakPolarHBondContact CA-O 3.48Å; I188-A306 HydrophobicContact CG1-CB 4.44Å; Q189-A306 PolarHBondContact N-O 3.24Å; N262-A306 WeakPolarHBondContact OD1-CA 3.43Å; N262-A306 PolarHBondContact OD1-O 2.81Å; A306-F314 HydrophobicContact CB-CD2 4.47Å; A306-F314 HydrophobicContact CB-CE1 4.39Å; A306-F314 HydrophobicContact CB-CE2 3.51Å; A306-F314 HydrophobicContact CB-CZ 3.46Å; A306-F314 VanDerWaalsContact CB-CZ 3.46Å; A306-V315 WeakPolarHBondContact CA-O 3.5Å; A306-V315 WeakPolarHBondContact CB-O 3.24Å
307	T	98.7	Very high	96.8	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	134.8	171.4	-62.2	0	0	0	0	109.6	Q189 A191 V229 F260 N262 I309 V315	Q189-T307 HydrophobicContact CB-CG2 4.38Å; Q189-T307 PolarHBondContact NE2-OG1 3.01Å; Q189-T307 CarbonylContact O-C 3.51Å; Q189-T307 WeakPolarHBondContact O-CA 3.23Å; A191-T307 HydrophobicContact CB-CG2 3.77Å; V229-T307 HydrophobicContact CG1-CG2 4.39Å; V229-T307 HydrophobicContact CG2-CG2 3.95Å; F260-T307 HydrophobicContact CB-CG2 4.47Å; F260-T307 HydrophobicContact CG-CG2 4.47Å; N262-T307 PolarHBondContact OD1-N 3.32Å; N262-T307 PolarHBondContact OD1-OG1 3.03Å; T307-I309 HydrophobicContact CG2-CG1 4.17Å; T307-V315 PolarHBondContact N-O 2.8Å; T307-V315 PolarHBondContact O-N 2.98Å
308	L	98.5	Very high	97.1	Very high	14 Å²	14	13.6 Å²	13.6	7%	0.073	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	121.1	171.4	-177.1	66.2	0	0	0	109.1	I188 Q189 M190 A191 F314 L397	I188-L308 HydrophobicContact CG2-CB 3.98Å; Q189-L308 PolarHBondContact O-N 3.29Å; M190-L308 HydrophobicContact CE-CD2 3.93Å; M190-L308 HydrophobicContact SD-CB 3.8Å; M190-L308 HydrophobicContact SD-CD2 3.79Å; M190-L308 HydrophobicContact SD-CG 4.24Å; A191-L308 PolarHBondContact N-O 3.32Å; L308-F314 HydrophobicContact CD1-CB 4.34Å; L308-F314 HydrophobicContact CD1-CD2 4.47Å; L308-L397 HydrophobicContact CD1-CD2 3.46Å; L308-L397 VanDerWaalsContact CD1-CD2 3.46Å
309	I	98.2	Very high	97.4	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	121.9	-178.3	-56.9	169.1	0	0	0	108.9	A191 T193 I199 V201 V229 T307 D311 K312 I313 V315 I441	A191-I309 HydrophobicContact CB-CG1 4.18Å; A191-I309 WeakPolarHBondContact O-CA 3.33Å; T193-I309 HydrophobicContact CG2-CG2 4.18Å; I199-I309 HydrophobicContact CD1-CD1 4.4Å; I199-I309 HydrophobicContact CD1-CG1 4.41Å; I199-I309 HydrophobicContact CG2-CD1 3.86Å; I199-I309 HydrophobicContact CG2-CG1 4.43Å; I199-I309 HydrophobicContact CG2-CG2 3.72Å; V201-I309 HydrophobicContact CG2-CD1 4.1Å; V229-I309 HydrophobicContact CG2-CD1 4.26Å; T307-I309 HydrophobicContact CG2-CG1 4.17Å; I309-D311 PolarHBondContact O-N 2.82Å; I309-D311 VanDerWaalsContact O-N 3.09Å; I309-K312 PolarHBondContact O-N 2.86Å; I309-I313 HydrophobicContact CB-CB 4.22Å; I309-I313 PolarHBondContact N-O 3Å; I309-I313 PolarHBondContact O-N 3.47Å; I309-V315 HydrophobicContact CD1-CG2 3.7Å; I309-V315 HydrophobicContact CG1-CG2 4.26Å; I309-I441 HydrophobicContact CD1-CD1 3.6Å
310	D	96.6	Very high	97.6	Very high	51 Å²	51	13.6 Å²	13.6	27%	0.273	7%	0.067	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.9	33.1	178	-61.4	-52.4	0	0	0	114.2	A191 S192 T193 K312	A191-D310 PolarHBondContact O-N 3.03Å; S192-D310 WeakPolarHBondContact CA-OD1 3.47Å; S192-D310 WeakPolarHBondContact CB-OD1 3.46Å; S192-D310 PolarHBondContact OG-OD1 3.36Å; T193-D310 VanDerWaalsContact CB-OD2 3.28Å; T193-D310 WeakPolarHBondContact CB-OD2 3.39Å; T193-D310 WeakPolarHBondContact CG2-OD2 3.17Å; T193-D310 PolarHBondContact N-OD1 3.35Å; T193-D310 PolarHBondContact N-OD2 3.46Å; T193-D310 PolarHBondContact OG1-OD2 2.84Å; D310-K312 WeakPolarHBondContact O-CG 3.42Å; D310-K312 PolarHBondContact O-N 2.58Å
311	D	96.1	Very high	97.6	Very high	103 Å²	103	13.8 Å²	13.8	55%	0.551	7%	0.068	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.4	25.5	-176.2	-55.7	-46.3	0	0	0	114.1	I309	I309-D311 PolarHBondContact O-N 2.82Å; I309-D311 VanDerWaalsContact O-N 3.09Å
312	K	97.6	Very high	97.7	Very high	82 Å²	82	17.3 Å²	17.3	36%	0.357	9%	0.088	S	C	.	.	T	Hydrogen-bonded Turn	trans	-132.7	-34	-175.4	-68.7	-64.7	161.4	-154.3	0	114.6	I309 D310 N396 L397 S398 L399	I309-K312 PolarHBondContact O-N 2.86Å; D310-K312 WeakPolarHBondContact O-CG 3.42Å; D310-K312 PolarHBondContact O-N 2.58Å; K312-N396 PolarHBondContact NZ-O 2.84Å; K312-L397 CarbonylContact O-C 3.54Å; K312-L397 WeakPolarHBondContact O-CA 3.47Å; K312-L397 WeakPolarHBondContact O-CB 3.34Å; K312-S398 PolarHBondContact O-N 3.01Å; K312-S398 PolarHBondContact O-OG 2.95Å; K312-L399 PolarHBondContact O-N 2.92Å
313	I	98.6	Very high	97.7	Very high	7 Å²	7	23 Å²	23	4%	0.036	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	116.2	-175.3	-54.2	174.8	0	0	0	108.8	I309 V315 L399 I401 I441	I309-I313 HydrophobicContact CB-CB 4.22Å; I309-I313 PolarHBondContact N-O 3Å; I309-I313 PolarHBondContact O-N 3.47Å; I313-V315 HydrophobicContact CG2-CG2 4.35Å; I313-L399 WeakPolarHBondContact CA-O 3.31Å; I313-L399 HydrophobicContact CD1-CD2 4.38Å; I313-L399 HydrophobicContact CG1-CB 4.18Å; I313-L399 HydrophobicContact CG1-CD2 4.49Å; I313-L399 HydrophobicContact CG2-CB 4.19Å; I313-L399 HydrophobicContact CG2-CD2 4.05Å; I313-L399 HydrophobicContact CG2-CG 4.23Å; I313-I401 HydrophobicContact CG2-CD1 3.53Å; I313-I401 HydrophobicContact CG2-CG1 3.69Å; I313-I441 HydrophobicContact CD1-CD1 4.15Å; I313-I441 HydrophobicContact CD1-CG2 3.63Å
314	F	98.8	Very high	97.6	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	130.5	175.9	-175.7	-105.4	0	0	0	110.2	I188 A306 L308 C316 L326 L360 F391 L397 L399 L400 I401	I188-F314 HydrophobicContact CG2-CE2 4.34Å; A306-F314 HydrophobicContact CB-CD2 4.47Å; A306-F314 HydrophobicContact CB-CE1 4.39Å; A306-F314 HydrophobicContact CB-CE2 3.51Å; A306-F314 HydrophobicContact CB-CZ 3.46Å; A306-F314 VanDerWaalsContact CB-CZ 3.46Å; L308-F314 HydrophobicContact CD1-CB 4.34Å; L308-F314 HydrophobicContact CD1-CD2 4.47Å; F314-C316 HydrophobicContact CD1-CB 4.38Å; F314-C316 HydrophobicContact CE1-CB 3.7Å; F314-C316 HydrophobicContact CZ-CB 4.28Å; F314-L326 HydrophobicContact CD2-CD1 4.46Å; F314-L326 HydrophobicContact CD2-CD2 3.95Å; F314-L326 HydrophobicContact CE1-CD2 4.46Å; F314-L326 HydrophobicContact CE2-CD2 3.43Å; F314-L326 VanDerWaalsContact CE2-CD2 3.43Å; F314-L326 HydrophobicContact CZ-CD2 3.72Å; F314-L360 HydrophobicContact CE1-CD2 4Å; F314-L360 HydrophobicContact CZ-CD2 4.17Å; F314-F391 HydrophobicContact CB-CE1 4.34Å; F314-F391 HydrophobicContact CD1-CE1 4.01Å; F314-F391 AromaticContact CD1-CZ 3.8Å; F314-F391 HydrophobicContact CD1-CZ 3.8Å; F314-F391 HydrophobicContact CE1-CZ 4.09Å; F314-F391 HydrophobicContact CG-CE1 4.32Å; F314-F391 HydrophobicContact CG-CZ 4.12Å; F314-L397 HydrophobicContact CB-CD1 3.67Å; F314-L397 HydrophobicContact CG-CD1 4.45Å; F314-L399 PolarHBondContact N-O 2.99Å; F314-L400 HydrophobicContact CD1-CD1 3.64Å; F314-L400 HydrophobicContact CE1-CD1 4.44Å; F314-I401 PolarHBondContact O-N 3.45Å
315	V	98.9	Very high	97.5	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	112.9	-178.9	-168.2	0	0	0	0	109.1	V201 V229 N231 N262 A306 T307 I309 I313 I401	V201-V315 HydrophobicContact CG1-CG1 3.92Å; V201-V315 HydrophobicContact CG2-CG2 4.27Å; V229-V315 HydrophobicContact CG1-CG1 4.23Å; N231-V315 HydrophobicContact CB-CG1 4.31Å; N262-V315 PolarHBondContact ND2-O 3.01Å; N262-V315 VanDerWaalsContact ND2-O 3.16Å; A306-V315 WeakPolarHBondContact CA-O 3.5Å; A306-V315 WeakPolarHBondContact CB-O 3.24Å; T307-V315 PolarHBondContact N-O 2.8Å; T307-V315 PolarHBondContact O-N 2.98Å; I309-V315 HydrophobicContact CD1-CG2 3.7Å; I309-V315 HydrophobicContact CG1-CG2 4.26Å; I313-V315 HydrophobicContact CG2-CG2 4.35Å; V315-I401 WeakPolarHBondContact CA-O 3.33Å; V315-I401 HydrophobicContact CG1-CB 4.32Å; V315-I401 HydrophobicContact CG1-CG2 4.36Å; V315-I401 HydrophobicContact CG2-CB 4.19Å
316	C	98.6	Very high	97.5	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	163.1	172.6	64.5	0	0	0	0	109.9	N231 F314 L360 I401 R402	N231-C316 PolarHBondContact ND2-O 2.99Å; N231-C316 PolarHBondContact OD1-O 3.35Å; F314-C316 HydrophobicContact CD1-CB 4.38Å; F314-C316 HydrophobicContact CE1-CB 3.7Å; F314-C316 HydrophobicContact CZ-CB 4.28Å; C316-L360 HydrophobicContact CB-CD2 3.95Å; C316-I401 PolarHBondContact N-O 3.03Å; C316-I401 VanDerWaalsContact N-O 3.17Å; C316-R402 VanDerWaalsContact O-CA 3.24Å; C316-R402 WeakPolarHBondContact O-CA 3.05Å
317	H	98.8	Very high	97.3	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.15	C	C	.	.	S	Bend	trans	-72.7	-59.3	-176.2	175.9	71.6	0	0	0	113	D204 N231 D233 R263 G264 N265 L361 S403 H404	D204-H317 IonicContact OD1-CE1 3.11Å; D204-H317 PolarHBondContact OD1-CE1 3.29Å; D204-H317 IonicContact OD1-ND1 3.93Å; N231-H317 PolarHBondContact O-ND1 2.91Å; D233-H317 VanDerWaalsContact CG-NE2 3.29Å; D233-H317 IonicContact OD1-CE1 3.91Å; D233-H317 PolarHBondContact OD1-CE1 3.43Å; D233-H317 IonicContact OD1-NE2 3.4Å; D233-H317 PolarHBondContact OD1-NE2 3.49Å; D233-H317 IonicContact OD2-CE1 2.6Å; D233-H317 PolarHBondContact OD2-CE1 3.17Å; D233-H317 VanDerWaalsContact OD2-CE1 3.23Å; D233-H317 IonicContact OD2-NE2 2.82Å; D233-H317 PolarHBondContact OD2-NE2 2.79Å; R263-H317 WeakPolarHBondContact O-CB 3.28Å; G264-H317 VanDerWaalsContact CA-CD2 3.47Å; G264-H317 WeakPolarHBondContact CA-CD2 3.35Å; G264-H317 VanDerWaalsContact CA-CG 3.43Å; N265-H317 PolarHBondContact N-CD2 2.82Å; N265-H317 PolarHBondContact OD1-NE2 2.79Å; H317-L361 HydrophobicContact CB-CD2 4.1Å; H317-S403 CarbonylContact O-C 3.35Å; H317-S403 WeakPolarHBondContact O-CA 3.41Å; H317-S403 PolarHBondContact O-N 2.86Å; H317-H404 AromaticContact CD2-ND1 3.9Å; H317-H404 WeakPolarHBondContact NE2-CB 3.48Å; H317-H404 AromaticContact NE2-CG 3.64Å; H317-H404 AromaticContact NE2-ND1 3.26Å; H317-H404 PolarHBondContact NE2-ND1 2.97Å; H317-H404 WeakPolarHBondContact O-CB 2.82Å
318	G	98.1	Very high	97.1	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.164	C	C	.	.	S	Bend	trans	-84.2	-95.5	178.8	0	0	0	0	0	111.9	L360 S363 R402	G318-L360 VanDerWaalsContact CA-O 3.24Å; G318-L360 WeakPolarHBondContact CA-O 3.43Å; G318-L360 PolarHBondContact N-O 3.47Å; G318-S363 CarbonylContact C-O 3.53Å; G318-R402 VanDerWaalsContact C-NH1 3.31Å; G318-R402 WeakPolarHBondContact O-CB 3.36Å; G318-R402 WeakPolarHBondContact O-CD 3.25Å; G318-R402 PolarHBondContact O-NE 3.23Å; G318-R402 VanDerWaalsContact O-NE 3.08Å; G318-R402 PolarHBondContact O-NH1 3.16Å
319	G	97.8	Very high	96.9	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.16	C	C	.	.			trans	-160.7	-151.1	-174	0	0	0	0	0	113.2	D359 L360 S363	G319-D359 CarbonylContact C-O 3.59Å; G319-D359 PolarHBondContact N-O 2.75Å; G319-L360 PolarHBondContact N-O 2.83Å; G319-L360 VanDerWaalsContact O-CA 3.29Å; G319-L360 WeakPolarHBondContact O-CA 3.37Å; G319-L360 WeakPolarHBondContact O-CD2 2.9Å; G319-S363 PolarHBondContact N-O 3.35Å
320	I	98.3	Very high	96.8	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.176	C	C	.	.			trans	-135.5	168.4	-178.9	59.7	164.8	0	0	0	109.9	T324 L360 C381 F383 I387 F391 L400	I320-T324 HydrophobicContact CB-CG2 4.32Å; I320-T324 HydrophobicContact CG2-CG2 4.06Å; I320-L360 HydrophobicContact CG2-CD2 4.37Å; I320-C381 PolarHBondContact O-SG 2.81Å; I320-F383 HydrophobicContact CG1-CD2 3.96Å; I320-F383 HydrophobicContact CG1-CE2 3.98Å; I320-F383 HydrophobicContact CG1-CG 4.32Å; I320-F383 HydrophobicContact CG1-CZ 4.37Å; I320-F383 WeakPolarHBondContact O-CB 3.43Å; I320-F383 WeakPolarHBondContact O-CD1 3.43Å; I320-F383 WeakPolarHBondContact O-CG 3.46Å; I320-I387 HydrophobicContact CD1-CG2 4.3Å; I320-I387 HydrophobicContact CG1-CG2 4.47Å; I320-F391 HydrophobicContact CD1-CB 3.37Å; I320-F391 HydrophobicContact CD1-CD1 3.67Å; I320-F391 HydrophobicContact CD1-CD2 4.16Å; I320-F391 HydrophobicContact CD1-CE1 4.5Å; I320-F391 HydrophobicContact CD1-CG 3.46Å; I320-F391 VanDerWaalsContact CD1-CG 3.46Å; I320-F391 HydrophobicContact CG2-CE1 4.36Å; I320-F391 HydrophobicContact CG2-CE2 4.38Å; I320-F391 HydrophobicContact CG2-CZ 4.29Å; I320-L400 HydrophobicContact CD1-CD2 3.98Å; I320-L400 HydrophobicContact CG1-CD2 3.93Å; I320-L400 HydrophobicContact CG2-CD1 4.38Å; I320-L400 HydrophobicContact CG2-CD2 4.12Å
321	S	96.6	Very high	96.7	Very high	4 Å²	4	36.5 Å²	36.5	3%	0.028	20%	0.2	C	C	.	.			trans	-124.6	176.8	169.7	62.4	0	0	0	0	110.8	K323 T324 D359	S321-K323 PolarHBondContact O-N 3.35Å; S321-T324 PolarHBondContact N-OG1 3.1Å; S321-T324 PolarHBondContact O-N 2.9Å; S321-T324 PolarHBondContact O-OG1 3Å; S321-T324 PolarHBondContact OG-OG1 3.39Å; S321-D359 WeakPolarHBondContact CB-OD2 3.48Å; S321-D359 PolarHBondContact OG-OD2 2.95Å
322	D	94.4	Very high	96.5	Very high	84 Å²	84	32.1 Å²	32.1	45%	0.449	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-19.4	174	72.6	-46.3	0	0	0	112.8	L371 I387	D322-L371 HydrophobicContact CB-CD2 4.33Å; D322-L371 WeakPolarHBondContact OD1-CD2 3.44Å; D322-I387 HydrophobicContact CB-CD1 4.1Å
323	K	94.4	Very high	96.1	Very high	137 Å²	137	32.4 Å²	32.4	60%	0.596	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.8	-7.4	178.7	-57.1	-50.9	179	-164.8	0	114.2	S321 D325 Q356	S321-K323 PolarHBondContact O-N 3.35Å; K323-D325 PolarHBondContact O-N 2.99Å; K323-Q356 VanDerWaalsContact O-CD 3.28Å; K323-Q356 PolarHBondContact O-NE2 2.79Å; K323-Q356 PolarHBondContact O-OE1 3.18Å
324	T	96.6	Very high	95.8	Very high	2 Å²	2	32.4 Å²	32.4	1%	0.012	18%	0.181	C	C	.	.			trans	-57.5	125.4	-178.4	-56.3	0	0	0	0	110.9	I320 S321 L329 L360 F391 K394	I320-T324 HydrophobicContact CB-CG2 4.32Å; I320-T324 HydrophobicContact CG2-CG2 4.06Å; S321-T324 PolarHBondContact N-OG1 3.1Å; S321-T324 PolarHBondContact O-N 2.9Å; S321-T324 PolarHBondContact O-OG1 3Å; S321-T324 PolarHBondContact OG-OG1 3.39Å; T324-L329 HydrophobicContact CG2-CD1 3.72Å; T324-L360 HydrophobicContact CG2-CD2 4.21Å; T324-F391 HydrophobicContact CG2-CD2 4.15Å; T324-F391 HydrophobicContact CG2-CE2 3.67Å; T324-K394 PolarHBondContact O-NZ 2.89Å
325	D	96.2	Very high	95.4	Very high	27 Å²	27	35.7 Å²	35.7	14%	0.144	20%	0.196	C	C	.	.			trans	-138.4	118.3	-175.7	-176.6	69.5	0	0	0	110.9	K323 S327 T328 L329 Q356 K394 H395	K323-D325 PolarHBondContact O-N 2.99Å; D325-S327 VanDerWaalsContact C-N 3.31Å; D325-S327 PolarHBondContact O-N 3.41Å; D325-S327 WeakPolarHBondContact OD2-CB 3.49Å; D325-S327 PolarHBondContact OD2-N 3.01Å; D325-S327 PolarHBondContact OD2-OG 3.45Å; D325-T328 PolarHBondContact O-N 3.09Å; D325-T328 PolarHBondContact OD2-N 3.28Å; D325-T328 PolarHBondContact OD2-OG1 3.37Å; D325-L329 WeakPolarHBondContact O-CB 3.43Å; D325-L329 WeakPolarHBondContact O-CG 3.35Å; D325-L329 PolarHBondContact O-N 3.41Å; D325-Q356 PolarHBondContact O-OE1 3.19Å; D325-K394 WeakPolarHBondContact OD1-CE 3.43Å; D325-K394 IonicContact OD1-NZ 2.67Å; D325-K394 PolarHBondContact OD1-NZ 3.3Å; D325-H395 IonicContact OD1-CE1 2.73Å
326	L	97	Very high	94.8	Very high	25 Å²	25	36.5 Å²	36.5	13%	0.131	20%	0.202	C	C	.	.	H	α-helix	trans	-66.7	-28.8	-174.3	-60.3	-172.3	0	0	0	113.6	I188 F314 L329 G330 F391 H395 L397	I188-L326 HydrophobicContact CD1-CB 4Å; I188-L326 HydrophobicContact CD1-CD2 3.98Å; I188-L326 VanDerWaalsContact CD1-O 3.32Å; I188-L326 WeakPolarHBondContact CD1-O 3.48Å; F314-L326 HydrophobicContact CD2-CD1 4.46Å; F314-L326 HydrophobicContact CD2-CD2 3.95Å; F314-L326 HydrophobicContact CE1-CD2 4.46Å; F314-L326 HydrophobicContact CE2-CD2 3.43Å; F314-L326 VanDerWaalsContact CE2-CD2 3.43Å; F314-L326 HydrophobicContact CZ-CD2 3.72Å; L326-L329 HydrophobicContact CD2-CD1 4.46Å; L326-G330 PolarHBondContact O-N 2.89Å; L326-F391 HydrophobicContact CD2-CE2 4.06Å; L326-F391 HydrophobicContact CD2-CZ 3.97Å; L326-F391 HydrophobicContact CG-CE2 4.36Å; L326-F391 HydrophobicContact CG-CZ 4.43Å; L326-H395 HydrophobicContact CD1-CB 3.91Å; L326-H395 PolarHBondContact N-CE1 2.81Å; L326-L397 HydrophobicContact CD1-CD1 4.36Å
327	S	95.2	Very high	94.2	Very high	73 Å²	73	37 Å²	37	51%	0.51	20%	0.204	S	C	.	.	H	α-helix	trans	-67.2	-50.2	172.9	22.8	0	0	0	0	111.2	D325 L329 G330 D331	D325-S327 VanDerWaalsContact C-N 3.31Å; D325-S327 PolarHBondContact O-N 3.41Å; D325-S327 WeakPolarHBondContact OD2-CB 3.49Å; D325-S327 PolarHBondContact OD2-N 3.01Å; D325-S327 PolarHBondContact OD2-OG 3.45Å; S327-L329 VanDerWaalsContact C-N 3.3Å; S327-L329 PolarHBondContact O-N 2.73Å; S327-G330 WeakPolarHBondContact O-CA 3.32Å; S327-G330 PolarHBondContact O-N 3.07Å; S327-D331 PolarHBondContact O-N 2.78Å
328	T	94.1	Very high	93.4	Very high	45 Å²	45	37.7 Å²	37.7	28%	0.276	21%	0.207	S	C	.	.	H	α-helix	trans	-59.1	-43.1	178.9	-53.1	0	0	0	0	111.5	D325 D331 L332 S353	D325-T328 PolarHBondContact O-N 3.09Å; D325-T328 PolarHBondContact OD2-N 3.28Å; D325-T328 PolarHBondContact OD2-OG1 3.37Å; T328-D331 PolarHBondContact O-N 3.49Å; T328-L332 PolarHBondContact O-N 2.79Å; T328-S353 WeakPolarHBondContact CG2-OG 3.35Å
329	L	94.8	Very high	92.7	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.005	21%	0.208	C	C	.	.	H	α-helix	trans	-69	-33.5	175.1	-73.5	165.5	0	0	0	112.7	N187 I188 T324 D325 L326 S327 D331 L332 Q356 L360	N187-L329 VanDerWaalsContact CB-O 3.25Å; N187-L329 WeakPolarHBondContact CB-O 3.5Å; N187-L329 PolarHBondContact ND2-O 3.48Å; I188-L329 HydrophobicContact CD1-CB 4.17Å; T324-L329 HydrophobicContact CG2-CD1 3.72Å; D325-L329 WeakPolarHBondContact O-CB 3.43Å; D325-L329 WeakPolarHBondContact O-CG 3.35Å; D325-L329 PolarHBondContact O-N 3.41Å; L326-L329 HydrophobicContact CD2-CD1 4.46Å; S327-L329 VanDerWaalsContact C-N 3.3Å; S327-L329 PolarHBondContact O-N 2.73Å; L329-D331 VanDerWaalsContact C-N 3.33Å; L329-L332 WeakPolarHBondContact O-CB 3.41Å; L329-Q356 HydrophobicContact CD2-CB 3.92Å; L329-Q356 HydrophobicContact CG-CB 4.33Å; L329-L360 HydrophobicContact CD1-CD1 3.73Å; L329-L360 HydrophobicContact CD1-CD2 4.22Å; L329-L360 HydrophobicContact CD1-CG 4.09Å; L329-L360 HydrophobicContact CD2-CD1 3.73Å; L329-L360 HydrophobicContact CD2-CG 4.26Å; L329-L360 HydrophobicContact CG-CD1 4.32Å
330	G	95.3	Very high	92.2	Very high	32 Å²	32	37.9 Å²	37.9	33%	0.33	21%	0.208	S	C	.	.	H	α-helix	trans	-61.5	-40.5	174.1	0	0	0	0	0	112.6	N187 L326 S327	N187-G330 PolarHBondContact ND2-O 3.02Å; L326-G330 PolarHBondContact O-N 2.89Å; S327-G330 WeakPolarHBondContact O-CA 3.32Å; S327-G330 PolarHBondContact O-N 3.07Å
331	D	93.9	Very high	91.3	Very high	144 Å²	144	38.1 Å²	38.1	77%	0.77	21%	0.21	S	C	*	.	H	α-helix	trans	-90.2	-4.7	-176.7	-65.4	-27.3	0	0	0	114.1	S327 T328 L329 N333	S327-D331 PolarHBondContact O-N 2.78Å; T328-D331 PolarHBondContact O-N 3.49Å; L329-D331 VanDerWaalsContact C-N 3.33Å; D331-N333 PolarHBondContact O-N 2.78Å
332	L	91.7	Very high	90.1	Very high	11 Å²	11	39 Å²	39	6%	0.058	21%	0.213	C	C	.	.			trans	-54.9	131.5	178.9	178.7	82.1	0	0	0	112.2	N187 V305 T328 L329 R334 Y337 Y357	N187-L332 PolarHBondContact ND2-N 3.1Å; N187-L332 PolarHBondContact ND2-O 3.35Å; V305-L332 HydrophobicContact CG1-CD2 4.34Å; T328-L332 PolarHBondContact O-N 2.79Å; L329-L332 WeakPolarHBondContact O-CB 3.41Å; L332-R334 VanDerWaalsContact C-N 3.32Å; L332-R334 HydrophobicContact CD2-CB 4.27Å; L332-R334 PolarHBondContact O-N 3.08Å; L332-Y337 HydrophobicContact CD1-CE2 3.62Å; L332-Y337 HydrophobicContact CD2-CE2 4.33Å; L332-Y337 HydrophobicContact CG-CE2 4.02Å; L332-Y357 HydrophobicContact CD2-CD1 3.46Å; L332-Y357 VanDerWaalsContact CD2-CD1 3.46Å; L332-Y357 HydrophobicContact CD2-CE1 3.95Å; L332-Y357 HydrophobicContact CD2-CG 3.77Å
333	N	91.1	Very high	88.6	Confident	88 Å²	88	37.5 Å²	37.5	47%	0.471	21%	0.207	S	C	.	.			trans	-79	81.1	166.4	-174	4.4	0	0	0	110.7	D331 F335 S336 Y337	D331-N333 PolarHBondContact O-N 2.78Å; N333-F335 PolarHBondContact O-N 3.45Å; N333-F335 VanDerWaalsContact O-N 3.11Å; N333-F335 WeakPolarHBondContact OD1-CD2 3.46Å; N333-F335 PolarHBondContact OD1-N 2.99Å; N333-S336 PolarHBondContact ND2-OG 3.37Å; N333-S336 PolarHBondContact O-N 2.93Å; N333-Y337 VanDerWaalsContact O-CE2 3.28Å; N333-Y337 WeakPolarHBondContact O-CE2 3.36Å
334	R	92.3	Very high	86.9	Confident	7 Å²	7	33.2 Å²	33.2	3%	0.026	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-59.6	-23.9	-177.5	68	172.4	-177.2	-78.8	2.4	114	I182 R185 N187 R301 Y302 I303 L332 S336 Y337 Y357	I182-R334 PolarHBondContact O-NH2 3.2Å; R185-R334 PolarHBondContact O-NH1 3.13Å; R185-R334 PolarHBondContact O-NH2 3.26Å; N187-R334 WeakPolarHBondContact OD1-CD 3.13Å; N187-R334 VanDerWaalsContact OD1-CG 3.31Å; N187-R334 WeakPolarHBondContact OD1-CG 3.34Å; N187-R334 PolarHBondContact OD1-NH1 2.87Å; R301-R334 WeakPolarHBondContact O-CG 3.27Å; Y302-R334 PolarHBondContact O-NE 3.43Å; Y302-R334 PolarHBondContact O-NH2 2.87Å; I303-R334 WeakPolarHBondContact O-CD 3.32Å; L332-R334 VanDerWaalsContact C-N 3.32Å; L332-R334 HydrophobicContact CD2-CB 4.27Å; L332-R334 PolarHBondContact O-N 3.08Å; R334-S336 PolarHBondContact O-N 3.01Å; R334-Y337 PolarHBondContact O-N 3.19Å; R334-Y357 HydrophobicContact CB-CE1 4.28Å
335	F	90	Very high	84.7	Confident	69 Å²	69	36.6 Å²	36.6	30%	0.303	21%	0.211	S	C	.	.	G	3₁₀ helix	trans	-70.2	-17.4	-178.6	-49.1	-61.3	0	0	0	113.2	M183 R301 Y302 N333 Y337	M183-F335 HydrophobicContact CG-CZ 4.34Å; R301-F335 WeakPolarHBondContact CD-O 3.37Å; R301-F335 HydrophobicContact CG-CD1 4.4Å; Y302-F335 AromaticContact CD1-CD1 3.7Å; Y302-F335 HydrophobicContact CD1-CD1 3.7Å; Y302-F335 AromaticContact CD1-CE1 3.5Å; Y302-F335 HydrophobicContact CD1-CE1 3.5Å; Y302-F335 AromaticContact CE1-CD1 3.96Å; Y302-F335 HydrophobicContact CE1-CD1 3.96Å; Y302-F335 HydrophobicContact CE1-CE1 4.07Å; Y302-F335 HydrophobicContact CG-CD1 4.29Å; Y302-F335 HydrophobicContact CG-CE1 4.22Å; N333-F335 PolarHBondContact O-N 3.45Å; N333-F335 VanDerWaalsContact O-N 3.11Å; N333-F335 WeakPolarHBondContact OD1-CD2 3.46Å; N333-F335 PolarHBondContact OD1-N 2.99Å; F335-Y337 PolarHBondContact O-N 3.33Å
336	S	86.2	Confident	82.2	Confident	18 Å²	18	43 Å²	43	13%	0.126	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-76.2	-8	178.3	-65.7	0	0	0	0	114.3	D119 N333 R334	D119-S336 PolarHBondContact N-O 3.23Å; N333-S336 PolarHBondContact ND2-OG 3.37Å; N333-S336 PolarHBondContact O-N 2.93Å; R334-S336 PolarHBondContact O-N 3.01Å
337	Y	85.9	Confident	79.5	Confident	10 Å²	10	47.9 Å²	47.9	4%	0.039	27%	0.273	C	S	.	.			trans	-112.4	90.6	-173.8	-50.6	-72.5	0	0	0	111	R263 L332 N333 R334 F335 T339 L340 K354 Y357	R263-Y337 PolarHBondContact NH1-O 2.8Å; L332-Y337 HydrophobicContact CD1-CE2 3.62Å; L332-Y337 HydrophobicContact CD2-CE2 4.33Å; L332-Y337 HydrophobicContact CG-CE2 4.02Å; N333-Y337 VanDerWaalsContact O-CE2 3.28Å; N333-Y337 WeakPolarHBondContact O-CE2 3.36Å; R334-Y337 PolarHBondContact O-N 3.19Å; F335-Y337 PolarHBondContact O-N 3.33Å; Y337-T339 VanDerWaalsContact C-N 3.29Å; Y337-L340 HydrophobicContact CD1-CD2 4.13Å; Y337-L340 HydrophobicContact CG-CD2 3.91Å; Y337-K354 HydrophobicContact CD1-CD 4.29Å; Y337-K354 HydrophobicContact CD1-CG 4.28Å; Y337-K354 HydrophobicContact CE1-CB 3.88Å; Y337-K354 HydrophobicContact CE1-CD 3.86Å; Y337-K354 HydrophobicContact CE1-CG 3.81Å; Y337-Y357 AromaticContact CD2-CD1 3.85Å; Y337-Y357 HydrophobicContact CD2-CD1 3.85Å; Y337-Y357 AromaticContact CD2-CE1 3.95Å; Y337-Y357 HydrophobicContact CD2-CE1 3.95Å; Y337-Y357 HydrophobicContact CE2-CD1 4.25Å; Y337-Y357 HydrophobicContact CG-CD1 4.41Å
338	L	81	Confident	77	Confident	15 Å²	15	47.7 Å²	47.7	8%	0.079	27%	0.266	C	S	.	.	S	Bend	trans	-63.3	-44.6	167.2	176.1	62.3	0	0	0	108.8	D119 L122 R263 A297 R301	D119-L338 HydrophobicContact CB-CB 3.65Å; D119-L338 WeakPolarHBondContact OD2-CA 3.39Å; D119-L338 VanDerWaalsContact OD2-CB 3.28Å; D119-L338 WeakPolarHBondContact OD2-CB 3.44Å; D119-L338 PolarHBondContact OD2-N 3.07Å; L122-L338 HydrophobicContact CD1-CD1 3.87Å; L122-L338 HydrophobicContact CD1-CD2 3.99Å; L122-L338 HydrophobicContact CG-CD2 4.09Å; R263-L338 PolarHBondContact NH2-O 3.2Å; A297-L338 HydrophobicContact CB-CD1 4.15Å; R301-L338 VanDerWaalsContact NH2-CD1 3.29Å
339	T	84.6	Confident	74.8	Confident	1 Å²	1	50.6 Å²	50.6	1%	0.006	29%	0.288	C	S	.	.			trans	-127.1	146.8	173.1	-176.2	0	0	0	0	112.6	Y88 D119 D268 Y270 Y337 L341 K342	Y88-T339 HydrophobicContact CE2-CG2 3.88Å; D119-T339 PolarHBondContact OD2-N 3.04Å; D119-T339 VanDerWaalsContact OD2-N 3.09Å; D268-T339 PolarHBondContact OD1-OG1 3.4Å; D268-T339 WeakPolarHBondContact OD2-CA 3.22Å; D268-T339 WeakPolarHBondContact OD2-CB 3.39Å; D268-T339 PolarHBondContact OD2-OG1 3.39Å; Y270-T339 HydrophobicContact CD2-CG2 3.92Å; Y270-T339 WeakPolarHBondContact CD2-OG1 3.43Å; Y270-T339 HydrophobicContact CE2-CG2 3.68Å; Y337-T339 VanDerWaalsContact C-N 3.29Å; T339-L341 PolarHBondContact OG1-N 3.46Å; T339-L341 VanDerWaalsContact OG1-N 3.09Å; T339-K342 HydrophobicContact CG2-CB 4.39Å
340	L	85.6	Confident	72.8	Confident	2 Å²	2	53.4 Å²	53.4	1%	0.01	30%	0.303	C	S	.	.	S	Bend	trans	-101.3	-1.4	170.9	-70.1	169.8	0	0	0	112.7	D268 Y337 K342 Y357 Q358 L361	D268-L340 PolarHBondContact OD2-N 2.73Å; Y337-L340 HydrophobicContact CD1-CD2 4.13Å; Y337-L340 HydrophobicContact CG-CD2 3.91Å; L340-K342 VanDerWaalsContact C-N 3.26Å; L340-K342 PolarHBondContact O-N 3.23Å; L340-Y357 HydrophobicContact CD1-CD1 3.81Å; L340-Y357 HydrophobicContact CD1-CD2 3.94Å; L340-Y357 HydrophobicContact CD1-CE1 3.83Å; L340-Y357 HydrophobicContact CD1-CE2 3.92Å; L340-Y357 HydrophobicContact CD1-CG 3.89Å; L340-Y357 HydrophobicContact CD2-CD1 3.54Å; L340-Y357 HydrophobicContact CD2-CE1 4.05Å; L340-Y357 HydrophobicContact CD2-CG 4.04Å; L340-Y357 HydrophobicContact CG-CD1 4.26Å; L340-Y357 HydrophobicContact CG-CE1 4.38Å; L340-Q358 HydrophobicContact CB-CG 4.2Å; L340-Q358 HydrophobicContact CD2-CG 4.45Å; L340-Q358 PolarHBondContact O-NE2 3.48Å; L340-L361 HydrophobicContact CD1-CD1 3.37Å; L340-L361 HydrophobicContact CD1-CG 4.34Å
341	L	80.6	Confident	71.5	Confident	6 Å²	6	52.7 Å²	52.7	3%	0.031	29%	0.293	C	S	.	.			trans	-74.8	-18.3	176.6	-61.9	-171.4	0	0	0	112.7	Y88 V271 T339 P343 W362 L379	Y88-L341 HydrophobicContact CD2-CB 3.5Å; Y88-L341 HydrophobicContact CD2-CD1 4.41Å; Y88-L341 HydrophobicContact CE2-CB 4.25Å; Y88-L341 HydrophobicContact CG-CB 3.66Å; V271-L341 HydrophobicContact CG2-CD1 4.03Å; V271-L341 HydrophobicContact CG2-CD2 4.27Å; V271-L341 HydrophobicContact CG2-CG 4.37Å; T339-L341 PolarHBondContact OG1-N 3.46Å; T339-L341 VanDerWaalsContact OG1-N 3.09Å; L341-P343 WeakPolarHBondContact O-CD 3.41Å; L341-W362 HydrophobicContact CD2-CH2 3.94Å; L341-W362 HydrophobicContact CD2-CZ2 3.43Å; L341-W362 VanDerWaalsContact CD2-CZ2 3.43Å; L341-L379 HydrophobicContact CD2-CD1 3.43Å; L341-L379 VanDerWaalsContact CD2-CD1 3.43Å
342	K	71.2	Confident	70.8	Confident	23 Å²	23	51 Å²	51	10%	0.1	28%	0.284	C	S	.	.	S	Bend	trans	-57.2	122.8	177.4	-169	167.9	-172.2	176	0	110.8	Y88 P116 T339 L340 K354 Q358	Y88-K342 HydrophobicContact CE1-CB 3.99Å; Y88-K342 HydrophobicContact CE1-CG 4.07Å; Y88-K342 HydrophobicContact CE2-CB 4.33Å; Y88-K342 VanDerWaalsContact CZ-CA 3.41Å; Y88-K342 WeakPolarHBondContact OH-CB 3.14Å; Y88-K342 WeakPolarHBondContact OH-CD 3.42Å; Y88-K342 WeakPolarHBondContact OH-CG 3.46Å; P116-K342 PolarHBondContact O-NZ 3.23Å; T339-K342 HydrophobicContact CG2-CB 4.39Å; L340-K342 VanDerWaalsContact C-N 3.26Å; L340-K342 PolarHBondContact O-N 3.23Å; K342-K354 WeakPolarHBondContact O-CE 3.16Å; K342-K354 PolarHBondContact O-NZ 2.63Å; K342-Q358 PolarHBondContact O-NE2 2.93Å
343	P	63.4	Low	70.6	Confident	51 Å²	51	51.7 Å²	51.7	33%	0.331	29%	0.289	S	S	.	.			trans	-51.1	149.5	171.4	-25.1	33.4	0	0	0	110.6	N89 L341 D345 K354	N89-P343 WeakPolarHBondContact OD1-CG 3.21Å; L341-P343 WeakPolarHBondContact O-CD 3.41Å; P343-D345 PolarHBondContact O-N 3.22Å; P343-K354 PolarHBondContact O-NZ 2.73Å; P343-K354 VanDerWaalsContact O-NZ 3.14Å
344	V	57.7	Low	70.4	Confident	47 Å²	47	47.6 Å²	47.6	29%	0.285	27%	0.267	S	S	.	.			trans	-82.2	97.6	172.4	-177.3	0	0	0	0	106.2	Q346 S351 K354	V344-Q346 PolarHBondContact O-N 2.96Å; V344-S351 VanDerWaalsContact CG1-CA 3.48Å; V344-K354 HydrophobicContact CG2-CD 4.04Å; V344-K354 HydrophobicContact CG2-CG 4.2Å
345	D	51.7	Low	70.4	Confident	74 Å²	74	50.5 Å²	50.5	40%	0.396	28%	0.28	S	S	.	.			trans	-71.9	111.4	-179.7	-75.3	-35	0	0	0	110.3	P343	P343-D345 PolarHBondContact O-N 3.22Å
346	Q	42.7	Very low	70.5	Confident	162 Å²	162	47.8 Å²	47.8	76%	0.757	27%	0.268	S	S	*	.	S	Bend	trans	56.1	158.5	172.7	-67.7	-173	11.8	0	0	115	V344 I348	V344-Q346 PolarHBondContact O-N 2.96Å; Q346-I348 VanDerWaalsContact C-N 3.26Å; Q346-I348 PolarHBondContact O-N 3.07Å
347	P	40	Very low	70.9	Confident	127 Å²	127	47 Å²	47	83%	0.825	26%	0.262	S	S	*	.	S	Bend	trans	-74.7	80.1	-177.2	30	-33.2	0	0	0	110.6
348	I	42.3	Very low	71.3	Confident	69 Å²	69	46.9 Å²	46.9	35%	0.354	26%	0.263	S	S	.	.			trans	-98.9	145.3	167.1	-57.9	172.4	0	0	0	107.6	P116 Q346 N350 S351	P116-I348 HydrophobicContact CG-CD1 4.37Å; Q346-I348 VanDerWaalsContact C-N 3.26Å; Q346-I348 PolarHBondContact O-N 3.07Å; I348-N350 PolarHBondContact O-N 3.46Å; I348-S351 WeakPolarHBondContact O-CB 3.44Å; I348-S351 PolarHBondContact O-N 2.76Å; I348-S351 PolarHBondContact O-OG 3.09Å; I348-S351 VanDerWaalsContact O-OG 3.07Å
349	S	49.4	Very low	72	Confident	106 Å²	106	46.4 Å²	46.4	74%	0.741	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.2	-20.4	-169.8	61.1	0	0	0	0	119
350	N	53	Low	72.6	Confident	60 Å²	60	46.3 Å²	46.3	32%	0.321	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-2.3	176.1	-76	-5.7	0	0	0	113.9	N115 I348 D352 S353 K354	N115-N350 PolarHBondContact ND2-ND2 3.45Å; I348-N350 PolarHBondContact O-N 3.46Å; N350-D352 VanDerWaalsContact C-N 3.26Å; N350-D352 PolarHBondContact O-N 3.48Å; N350-S353 PolarHBondContact O-N 3.01Å; N350-K354 PolarHBondContact O-N 3.06Å; N350-K354 VanDerWaalsContact O-N 3.13Å
351	S	66.2	Low	73.1	Confident	17 Å²	17	46.3 Å²	46.3	12%	0.119	26%	0.259	C	S	.	.	H	α-helix	trans	-55.9	-42.3	-178.4	60.5	0	0	0	0	111.9	V344 I348 K355	V344-S351 VanDerWaalsContact CG1-CA 3.48Å; I348-S351 WeakPolarHBondContact O-CB 3.44Å; I348-S351 PolarHBondContact O-N 2.76Å; I348-S351 PolarHBondContact O-OG 3.09Å; I348-S351 VanDerWaalsContact O-OG 3.07Å; S351-K355 WeakPolarHBondContact O-CB 3.49Å; S351-K355 PolarHBondContact O-N 3.14Å
352	D	80.7	Confident	73.7	Confident	109 Å²	109	46.1 Å²	46.1	58%	0.583	26%	0.258	S	S	*	.	H	α-helix	trans	-72.6	-41.7	-173.2	-69.4	0.7	0	0	0	111.1	N350 K355 Q356	N350-D352 VanDerWaalsContact C-N 3.26Å; N350-D352 PolarHBondContact O-N 3.48Å; D352-K355 PolarHBondContact O-N 2.99Å; D352-Q356 WeakPolarHBondContact O-CB 3.46Å; D352-Q356 VanDerWaalsContact O-CG 3.31Å; D352-Q356 WeakPolarHBondContact O-CG 3.17Å; D352-Q356 PolarHBondContact O-N 3.15Å
353	S	86.3	Confident	74.9	Confident	24 Å²	24	45 Å²	45	17%	0.168	25%	0.254	C	S	.	.	H	α-helix	trans	-68.2	-42.5	178.9	-49.5	0	0	0	0	111.8	T328 N350 Q356 Y357	T328-S353 WeakPolarHBondContact CG2-OG 3.35Å; N350-S353 PolarHBondContact O-N 3.01Å; S353-Q356 PolarHBondContact O-N 2.96Å; S353-Y357 PolarHBondContact O-N 2.7Å
354	K	88.4	Confident	76.5	Confident	3 Å²	3	42.6 Å²	42.6	1%	0.013	24%	0.238	C	C	.	.	H	α-helix	trans	-63.3	-43.2	174.3	-179.3	175.6	169	-175.3	0	111.1	D117 Y337 K342 P343 V344 N350 Y357 Q358	D117-K354 IonicContact OD1-NZ 3.97Å; D117-K354 PolarHBondContact OD1-NZ 3.44Å; Y337-K354 HydrophobicContact CD1-CD 4.29Å; Y337-K354 HydrophobicContact CD1-CG 4.28Å; Y337-K354 HydrophobicContact CE1-CB 3.88Å; Y337-K354 HydrophobicContact CE1-CD 3.86Å; Y337-K354 HydrophobicContact CE1-CG 3.81Å; K342-K354 WeakPolarHBondContact O-CE 3.16Å; K342-K354 PolarHBondContact O-NZ 2.63Å; P343-K354 PolarHBondContact O-NZ 2.73Å; P343-K354 VanDerWaalsContact O-NZ 3.14Å; V344-K354 HydrophobicContact CG2-CD 4.04Å; V344-K354 HydrophobicContact CG2-CG 4.2Å; N350-K354 PolarHBondContact O-N 3.06Å; N350-K354 VanDerWaalsContact O-N 3.13Å; K354-Y357 WeakPolarHBondContact O-CB 3.4Å; K354-Y357 PolarHBondContact O-N 3.22Å; K354-Q358 WeakPolarHBondContact O-CG 3.36Å; K354-Q358 PolarHBondContact O-N 3Å
355	K	90.5	Very high	78.4	Confident	67 Å²	67	41.2 Å²	41.2	29%	0.291	23%	0.23	S	C	.	.	H	α-helix	trans	-62.6	-43.8	177.2	179.6	54.3	176.4	149.3	0	111.9	S351 D352 Y357 Q358 D359	S351-K355 WeakPolarHBondContact O-CB 3.49Å; S351-K355 PolarHBondContact O-N 3.14Å; D352-K355 PolarHBondContact O-N 2.99Å; K355-Y357 VanDerWaalsContact C-N 3.3Å; K355-Y357 PolarHBondContact O-N 3.23Å; K355-Q358 WeakPolarHBondContact O-CB 3.45Å; K355-Q358 PolarHBondContact O-N 3.06Å; K355-D359 WeakPolarHBondContact CE-OD1 3.5Å; K355-D359 IonicContact NZ-OD1 2.83Å; K355-D359 PolarHBondContact NZ-OD1 2.85Å; K355-D359 PolarHBondContact O-N 3.26Å
356	Q	93.7	Very high	80.5	Confident	13 Å²	13	39.3 Å²	39.3	6%	0.061	22%	0.218	C	C	.	.	H	α-helix	trans	-62	-38.2	174	-72.7	-177.1	54.6	0	0	112	K323 D325 L329 D352 S353 D359 L360	K323-Q356 VanDerWaalsContact O-CD 3.28Å; K323-Q356 PolarHBondContact O-NE2 2.79Å; K323-Q356 PolarHBondContact O-OE1 3.18Å; D325-Q356 PolarHBondContact O-OE1 3.19Å; L329-Q356 HydrophobicContact CD2-CB 3.92Å; L329-Q356 HydrophobicContact CG-CB 4.33Å; D352-Q356 WeakPolarHBondContact O-CB 3.46Å; D352-Q356 VanDerWaalsContact O-CG 3.31Å; D352-Q356 WeakPolarHBondContact O-CG 3.17Å; D352-Q356 PolarHBondContact O-N 3.15Å; S353-Q356 PolarHBondContact O-N 2.96Å; Q356-D359 PolarHBondContact O-N 3.48Å; Q356-L360 WeakPolarHBondContact O-CG 3.5Å; Q356-L360 PolarHBondContact O-N 2.91Å
357	Y	94.7	Very high	83.1	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-66	-43	175.5	-167.4	-172.3	0	0	0	112	R263 V305 L332 R334 Y337 L340 S353 K354 K355 D359 L360 L361	R263-Y357 WeakPolarHBondContact CD-OH 3.39Å; R263-Y357 PolarHBondContact NH1-OH 3.32Å; V305-Y357 HydrophobicContact CB-CD2 4.19Å; V305-Y357 HydrophobicContact CB-CE2 3.76Å; V305-Y357 HydrophobicContact CG1-CD2 3.88Å; V305-Y357 HydrophobicContact CG1-CE1 4.24Å; V305-Y357 HydrophobicContact CG1-CE2 3.29Å; V305-Y357 VanDerWaalsContact CG1-CZ 3.48Å; L332-Y357 HydrophobicContact CD2-CD1 3.46Å; L332-Y357 VanDerWaalsContact CD2-CD1 3.46Å; L332-Y357 HydrophobicContact CD2-CE1 3.95Å; L332-Y357 HydrophobicContact CD2-CG 3.77Å; R334-Y357 HydrophobicContact CB-CE1 4.28Å; Y337-Y357 AromaticContact CD2-CD1 3.85Å; Y337-Y357 HydrophobicContact CD2-CD1 3.85Å; Y337-Y357 AromaticContact CD2-CE1 3.95Å; Y337-Y357 HydrophobicContact CD2-CE1 3.95Å; Y337-Y357 HydrophobicContact CE2-CD1 4.25Å; Y337-Y357 HydrophobicContact CG-CD1 4.41Å; L340-Y357 HydrophobicContact CD1-CD1 3.81Å; L340-Y357 HydrophobicContact CD1-CD2 3.94Å; L340-Y357 HydrophobicContact CD1-CE1 3.83Å; L340-Y357 HydrophobicContact CD1-CE2 3.92Å; L340-Y357 HydrophobicContact CD1-CG 3.89Å; L340-Y357 HydrophobicContact CD2-CD1 3.54Å; L340-Y357 HydrophobicContact CD2-CE1 4.05Å; L340-Y357 HydrophobicContact CD2-CG 4.04Å; L340-Y357 HydrophobicContact CG-CD1 4.26Å; L340-Y357 HydrophobicContact CG-CE1 4.38Å; S353-Y357 PolarHBondContact O-N 2.7Å; K354-Y357 WeakPolarHBondContact O-CB 3.4Å; K354-Y357 PolarHBondContact O-N 3.22Å; K355-Y357 VanDerWaalsContact C-N 3.3Å; K355-Y357 PolarHBondContact O-N 3.23Å; Y357-D359 VanDerWaalsContact C-N 3.31Å; Y357-D359 PolarHBondContact O-N 3.41Å; Y357-L360 PolarHBondContact O-N 3.12Å; Y357-L361 HydrophobicContact CD2-CD1 4.46Å; Y357-L361 HydrophobicContact CD2-CG 4.37Å; Y357-L361 HydrophobicContact CE2-CD1 4.07Å; Y357-L361 HydrophobicContact CE2-CD2 4.48Å; Y357-L361 HydrophobicContact CE2-CG 4.28Å; Y357-L361 PolarHBondContact O-N 3.3Å
358	Q	93.1	Very high	85.7	Confident	9 Å²	9	39 Å²	39	4%	0.042	22%	0.216	C	C	.	.	H	α-helix	trans	-58.5	-44.2	171.6	-72.4	171.1	-22.1	0	0	111.3	L340 K342 K354 K355 L360 L361 W362 L379	L340-Q358 HydrophobicContact CB-CG 4.2Å; L340-Q358 HydrophobicContact CD2-CG 4.45Å; L340-Q358 PolarHBondContact O-NE2 3.48Å; K342-Q358 PolarHBondContact O-NE2 2.93Å; K354-Q358 WeakPolarHBondContact O-CG 3.36Å; K354-Q358 PolarHBondContact O-N 3Å; K355-Q358 WeakPolarHBondContact O-CB 3.45Å; K355-Q358 PolarHBondContact O-N 3.06Å; Q358-L360 VanDerWaalsContact C-N 3.29Å; Q358-L360 PolarHBondContact O-N 3.34Å; Q358-L361 PolarHBondContact O-N 2.84Å; Q358-L361 VanDerWaalsContact O-N 3.09Å; Q358-W362 WeakPolarHBondContact O-CB 3.47Å; Q358-W362 PolarHBondContact O-N 3.47Å; Q358-L379 HydrophobicContact CG-CD2 4.15Å
359	D	95.2	Very high	88.3	Confident	4 Å²	4	39.9 Å²	39.9	2%	0.021	23%	0.228	C	C	.	.	H	α-helix	trans	-62.1	-37.6	179.9	-69	-18.9	0	0	0	111.7	G319 S321 K355 Q356 Y357 L361 S363 G380	G319-D359 CarbonylContact C-O 3.59Å; G319-D359 PolarHBondContact N-O 2.75Å; S321-D359 WeakPolarHBondContact CB-OD2 3.48Å; S321-D359 PolarHBondContact OG-OD2 2.95Å; K355-D359 WeakPolarHBondContact CE-OD1 3.5Å; K355-D359 IonicContact NZ-OD1 2.83Å; K355-D359 PolarHBondContact NZ-OD1 2.85Å; K355-D359 PolarHBondContact O-N 3.26Å; Q356-D359 PolarHBondContact O-N 3.48Å; Y357-D359 VanDerWaalsContact C-N 3.31Å; Y357-D359 PolarHBondContact O-N 3.41Å; D359-L361 PolarHBondContact O-N 3.29Å; D359-S363 WeakPolarHBondContact CA-OG 3.04Å; D359-S363 WeakPolarHBondContact CB-OG 2.95Å; D359-S363 WeakPolarHBondContact O-CB 3.27Å; D359-S363 PolarHBondContact O-N 2.86Å; D359-S363 VanDerWaalsContact O-N 3.13Å; D359-S363 PolarHBondContact O-OG 3.21Å; D359-G380 WeakPolarHBondContact OD1-CA 3.34Å
360	L	97.3	Very high	90.5	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-61.4	-25.9	174.9	-74.6	-167.8	0	0	0	114.2	V305 F314 C316 G318 G319 I320 T324 L329 Q356 Y357 Q358	V305-L360 HydrophobicContact CB-CD1 4.15Å; V305-L360 HydrophobicContact CG2-CD1 3.81Å; F314-L360 HydrophobicContact CE1-CD2 4Å; F314-L360 HydrophobicContact CZ-CD2 4.17Å; C316-L360 HydrophobicContact CB-CD2 3.95Å; G318-L360 VanDerWaalsContact CA-O 3.24Å; G318-L360 WeakPolarHBondContact CA-O 3.43Å; G318-L360 PolarHBondContact N-O 3.47Å; G319-L360 PolarHBondContact N-O 2.83Å; G319-L360 VanDerWaalsContact O-CA 3.29Å; G319-L360 WeakPolarHBondContact O-CA 3.37Å; G319-L360 WeakPolarHBondContact O-CD2 2.9Å; I320-L360 HydrophobicContact CG2-CD2 4.37Å; T324-L360 HydrophobicContact CG2-CD2 4.21Å; L329-L360 HydrophobicContact CD1-CD1 3.73Å; L329-L360 HydrophobicContact CD1-CD2 4.22Å; L329-L360 HydrophobicContact CD1-CG 4.09Å; L329-L360 HydrophobicContact CD2-CD1 3.73Å; L329-L360 HydrophobicContact CD2-CG 4.26Å; L329-L360 HydrophobicContact CG-CD1 4.32Å; Q356-L360 WeakPolarHBondContact O-CG 3.5Å; Q356-L360 PolarHBondContact O-N 2.91Å; Y357-L360 PolarHBondContact O-N 3.12Å; Q358-L360 VanDerWaalsContact C-N 3.29Å; Q358-L360 PolarHBondContact O-N 3.34Å
361	L	95.9	Very high	92.6	Very high	2 Å²	2	36.2 Å²	36.2	1%	0.01	21%	0.205	C	C	.	.	H	α-helix	trans	-103.8	-29.1	-176.9	-56.1	-169.8	0	0	0	113.5	R263 N265 H317 L340 Y357 Q358 D359	R263-L361 HydrophobicContact CG-CD1 4.46Å; R263-L361 WeakPolarHBondContact O-CD2 2.91Å; N265-L361 HydrophobicContact CB-CB 4.21Å; H317-L361 HydrophobicContact CB-CD2 4.1Å; L340-L361 HydrophobicContact CD1-CD1 3.37Å; L340-L361 HydrophobicContact CD1-CG 4.34Å; Y357-L361 HydrophobicContact CD2-CD1 4.46Å; Y357-L361 HydrophobicContact CD2-CG 4.37Å; Y357-L361 HydrophobicContact CE2-CD1 4.07Å; Y357-L361 HydrophobicContact CE2-CD2 4.48Å; Y357-L361 HydrophobicContact CE2-CG 4.28Å; Y357-L361 PolarHBondContact O-N 3.3Å; Q358-L361 PolarHBondContact O-N 2.84Å; Q358-L361 VanDerWaalsContact O-N 3.09Å; D359-L361 PolarHBondContact O-N 3.29Å
362	W	94.8	Very high	93.9	Very high	2 Å²	2	40.3 Å²	40.3	1%	0.008	23%	0.225	C	C	.	.	H	α-helix	trans	-119.2	-8.5	-167.8	-65.3	91	0	0	0	115.2	H84 N265 V271 L341 Q358 N374 R377 L379	H84-W362 AromaticContact ND1-CH2 3.32Å; H84-W362 VanDerWaalsContact ND1-CH2 3.32Å; H84-W362 WeakPolarHBondContact ND1-CH2 3.36Å; H84-W362 AromaticContact ND1-CZ3 3.46Å; H84-W362 WeakPolarHBondContact ND1-CZ3 2.94Å; N265-W362 HydrophobicContact CB-CD2 3.96Å; N265-W362 HydrophobicContact CB-CE3 4.34Å; N265-W362 HydrophobicContact CB-CH2 4.11Å; N265-W362 HydrophobicContact CB-CZ2 3.68Å; N265-W362 HydrophobicContact CB-CZ3 4.43Å; N265-W362 WeakPolarHBondContact ND2-CH2 3.4Å; V271-W362 HydrophobicContact CG2-CH2 3.89Å; V271-W362 HydrophobicContact CG2-CZ2 3.89Å; L341-W362 HydrophobicContact CD2-CH2 3.94Å; L341-W362 HydrophobicContact CD2-CZ2 3.43Å; L341-W362 VanDerWaalsContact CD2-CZ2 3.43Å; Q358-W362 WeakPolarHBondContact O-CB 3.47Å; Q358-W362 PolarHBondContact O-N 3.47Å; W362-N374 PolarHBondContact O-ND2 3.22Å; W362-R377 HydrophobicContact CE3-CB 4.1Å; W362-L379 HydrophobicContact CB-CB 3.91Å; W362-L379 HydrophobicContact CD2-CB 4Å; W362-L379 HydrophobicContact CD2-CD1 4.46Å; W362-L379 HydrophobicContact CE3-CB 4.41Å; W362-L379 HydrophobicContact CG-CB 3.78Å
363	S	96.4	Very high	94.3	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	23%	0.225	C	C	.	.			trans	-73.9	148.6	-179.8	-56.2	0	0	0	0	111.4	G318 G319 D359 C381 R402	G318-S363 CarbonylContact C-O 3.53Å; G319-S363 PolarHBondContact N-O 3.35Å; D359-S363 WeakPolarHBondContact CA-OG 3.04Å; D359-S363 WeakPolarHBondContact CB-OG 2.95Å; D359-S363 WeakPolarHBondContact O-CB 3.27Å; D359-S363 PolarHBondContact O-N 2.86Å; D359-S363 VanDerWaalsContact O-N 3.13Å; D359-S363 PolarHBondContact O-OG 3.21Å; S363-C381 CarbonylContact C-O 3.59Å; S363-C381 WeakPolarHBondContact CA-O 3.04Å; S363-C381 WeakPolarHBondContact CB-O 3.2Å; S363-C381 PolarHBondContact OG-N 3.14Å; S363-C381 VanDerWaalsContact OG-N 3.09Å; S363-C381 PolarHBondContact OG-SG 3.32Å; S363-R402 PolarHBondContact O-NH1 2.98Å
364	D	96.6	Very high	94.3	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	146.7	176.4	-70.7	-43.5	0	0	0	111.9	N374 R376 R377 C381 S382 F383 R402 H404 E405	D364-N374 PolarHBondContact OD2-ND2 3Å; D364-R376 IonicContact OD2-NH2 3.17Å; D364-R376 PolarHBondContact OD2-NH2 2.89Å; D364-R377 IonicContact OD1-CZ 3.54Å; D364-R377 IonicContact OD1-NE 2.75Å; D364-R377 IonicContact OD1-NH2 3.58Å; D364-R377 PolarHBondContact OD1-NH2 3.03Å; D364-R377 WeakPolarHBondContact OD2-CG 3.34Å; D364-R377 IonicContact OD2-CZ 2.73Å; D364-R377 IonicContact OD2-NE 3.92Å; D364-R377 PolarHBondContact OD2-NE 2.83Å; D364-R377 IonicContact OD2-NH2 3.71Å; D364-R377 PolarHBondContact OD2-NH2 3.15Å; D364-C381 PolarHBondContact N-O 2.86Å; D364-S382 CarbonylContact O-C 3.55Å; D364-S382 WeakPolarHBondContact O-CA 3.25Å; D364-F383 WeakPolarHBondContact O-CD1 3.5Å; D364-F383 WeakPolarHBondContact O-CE1 3.35Å; D364-F383 PolarHBondContact O-N 3.17Å; D364-R402 IonicContact OD1-CZ 2.75Å; D364-R402 IonicContact OD1-NH1 3.21Å; D364-R402 IonicContact OD1-NH2 3.46Å; D364-R402 PolarHBondContact OD1-NH2 2.95Å; D364-H404 IonicContact OD1-CD2 2.91Å; D364-H404 PolarHBondContact OD1-CD2 2.91Å; D364-H404 IonicContact OD1-NE2 3.75Å; D364-E405 WeakPolarHBondContact OD1-CG 3.29Å
365	P	97.6	Very high	94	Very high	17 Å²	17	46.2 Å²	46.2	11%	0.11	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	151.8	172.2	30.5	-35.3	0	0	0	111.8	F383 L419	P365-F383 CarbonylContact C-O 3.53Å; P365-F383 WeakPolarHBondContact CA-O 3.27Å; P365-F383 HydrophobicContact CB-CE1 4.4Å; P365-F383 HydrophobicContact CB-CE2 4.21Å; P365-F383 HydrophobicContact CB-CZ 3.98Å; P365-L419 HydrophobicContact CB-CD2 3.47Å; P365-L419 VanDerWaalsContact CB-CD2 3.47Å; P365-L419 HydrophobicContact CG-CD2 3.96Å
366	Q	96.1	Very high	93.5	Very high	35 Å²	35	46.7 Å²	46.7	16%	0.164	25%	0.248	C	C	.	.			trans	-131.9	154.5	170.1	59.5	164.8	-35.9	0	0	111.7	Q368 S382 F383 H415	Q366-Q368 WeakPolarHBondContact CG-O 3.11Å; Q366-Q368 PolarHBondContact O-N 3.47Å; Q366-S382 PolarHBondContact NE2-O 2.8Å; Q366-F383 WeakPolarHBondContact CG-O 3.43Å; Q366-F383 PolarHBondContact N-O 2.86Å; Q366-H415 PolarHBondContact O-NE2 3.3Å
367	T	96.1	Very high	93	Very high	136 Å²	136	46.3 Å²	46.3	83%	0.834	25%	0.246	S	C	*	.	S	Bend	trans	-71.9	-30.6	-177.5	-47.8	0	0	0	0	113
368	Q	95.7	Very high	92.2	Very high	147 Å²	147	47.5 Å²	47.5	69%	0.687	26%	0.258	S	S	*	.	S	Bend	trans	-85.1	148.4	-177.8	-61.9	-177.2	20.2	0	0	110.8	Q366 G384	Q366-Q368 WeakPolarHBondContact CG-O 3.11Å; Q366-Q368 PolarHBondContact O-N 3.47Å; Q368-G384 WeakPolarHBondContact O-CA 3.48Å
369	S	97.1	Very high	91.8	Very high	87 Å²	87	47.8 Å²	47.8	61%	0.608	26%	0.26	S	S	*	.	S	Bend	trans	-65.4	155.2	175.1	-71	0	0	0	0	112.6	D386	S369-D386 WeakPolarHBondContact CA-OD1 3.49Å; S369-D386 VanDerWaalsContact CB-OD1 3.27Å; S369-D386 WeakPolarHBondContact CB-OD1 3.24Å; S369-D386 PolarHBondContact OG-OD1 3.31Å
370	G	96	Very high	91.6	Very high	23 Å²	23	47.6 Å²	47.6	24%	0.237	26%	0.259	C	S	.	.	S	Bend	trans	100.3	-169.2	178.9	0	0	0	0	0	113.6	G384 D386	G370-G384 PolarHBondContact O-N 3.24Å; G370-D386 PolarHBondContact N-OD1 2.98Å; G370-D386 PolarHBondContact N-OD2 3.49Å; G370-D386 VanDerWaalsContact N-OD2 3.17Å
371	L	95.3	Very high	91.5	Very high	65 Å²	65	47.9 Å²	47.9	34%	0.34	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	127.8	-175.3	-167.3	76.3	0	0	0	109	D322 C381 S382 F383 I387	D322-L371 HydrophobicContact CB-CD2 4.33Å; D322-L371 WeakPolarHBondContact OD1-CD2 3.44Å; L371-C381 HydrophobicContact CD1-CB 3.75Å; L371-C381 WeakPolarHBondContact CD1-SG 3.25Å; L371-C381 HydrophobicContact CG-CB 4.11Å; L371-S382 WeakPolarHBondContact CA-O 3.4Å; L371-F383 HydrophobicContact CD1-CB 3.8Å; L371-I387 HydrophobicContact CD1-CG1 4.43Å
372	L	94	Very high	91.5	Very high	104 Å²	104	48.5 Å²	48.5	55%	0.545	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	158.1	175.2	-61.5	173.6	0	0	0	109.6	C381 S382	L372-C381 CarbonylContact O-C 3.57Å; L372-C381 VanDerWaalsContact O-CA 3.26Å; L372-C381 WeakPolarHBondContact O-CA 3.36Å; L372-C381 WeakPolarHBondContact O-CB 3.4Å; L372-S382 PolarHBondContact N-O 3.47Å; L372-S382 PolarHBondContact O-N 3.26Å
373	M	88.5	Confident	91.7	Very high	117 Å²	117	48.4 Å²	48.4	58%	0.576	27%	0.265	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.6	140.2	167.3	-174.5	62.6	164	0	0	109.2	E375	M373-E375 VanDerWaalsContact C-N 3.27Å; M373-E375 PolarHBondContact O-N 3.37Å
374	N	87.8	Confident	91.8	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	27%	0.265	C	S	.	.			trans	-81.8	78.2	176.1	-163.7	-10.1	0	0	0	110.5	W362 D364 R376 R377 G378 L379 G380	W362-N374 PolarHBondContact O-ND2 3.22Å; D364-N374 PolarHBondContact OD2-ND2 3Å; N374-R376 PolarHBondContact O-N 3.36Å; N374-R376 VanDerWaalsContact O-N 3.12Å; N374-R376 PolarHBondContact OD1-N 3.13Å; N374-R377 HydrophobicContact CB-CB 4.44Å; N374-R377 WeakPolarHBondContact ND2-CG 3.37Å; N374-R377 PolarHBondContact O-N 2.83Å; N374-R377 VanDerWaalsContact O-N 3.14Å; N374-G378 PolarHBondContact O-N 3.49Å; N374-L379 WeakPolarHBondContact CB-O 3.27Å; N374-G380 PolarHBondContact N-O 3.15Å
375	E	81.8	Confident	91.9	Very high	143 Å²	143	49.6 Å²	49.6	67%	0.668	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-28.5	179.2	-66.7	-179	172.1	0	0	112.4	Q82 M373	Q82-E375 VanDerWaalsContact CG-O 3.28Å; Q82-E375 WeakPolarHBondContact CG-O 3.46Å; Q82-E375 PolarHBondContact NE2-O 3.08Å; M373-E375 VanDerWaalsContact C-N 3.27Å; M373-E375 PolarHBondContact O-N 3.37Å
376	R	79.2	Confident	91.9	Very high	77 Å²	77	51.8 Å²	51.8	29%	0.291	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-34.1	-179.4	-58.6	-175.8	-60.6	177.8	11.4	112.7	Y78 Q82 D364 N374 E405	Y78-R376 HydrophobicContact CG-CB 4.35Å; Q82-R376 WeakPolarHBondContact CG-O 3.48Å; D364-R376 IonicContact OD2-NH2 3.17Å; D364-R376 PolarHBondContact OD2-NH2 2.89Å; N374-R376 PolarHBondContact O-N 3.36Å; N374-R376 VanDerWaalsContact O-N 3.12Å; N374-R376 PolarHBondContact OD1-N 3.13Å; R376-E405 IonicContact NH2-OE1 3.15Å; R376-E405 PolarHBondContact NH2-OE1 3.4Å; R376-E405 VanDerWaalsContact NH2-OE1 3.15Å
377	R	82.8	Confident	92	Very high	5 Å²	5	51 Å²	51	2%	0.019	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99	-22.9	-178.2	-55.9	-60.3	-173.9	151	17.8	112.9	E81 W362 D364 N374 L379 H404	E81-R377 IonicContact OE1-NH1 3.54Å; E81-R377 PolarHBondContact OE1-NH1 3.38Å; E81-R377 WeakPolarHBondContact OE2-CD 3.37Å; E81-R377 IonicContact OE2-CZ 3.33Å; E81-R377 IonicContact OE2-NE 3.82Å; E81-R377 PolarHBondContact OE2-NE 3.34Å; E81-R377 IonicContact OE2-NH1 2.99Å; E81-R377 PolarHBondContact OE2-NH1 3.22Å; W362-R377 HydrophobicContact CE3-CB 4.1Å; D364-R377 IonicContact OD1-CZ 3.54Å; D364-R377 IonicContact OD1-NE 2.75Å; D364-R377 IonicContact OD1-NH2 3.58Å; D364-R377 PolarHBondContact OD1-NH2 3.03Å; D364-R377 WeakPolarHBondContact OD2-CG 3.34Å; D364-R377 IonicContact OD2-CZ 2.73Å; D364-R377 IonicContact OD2-NE 3.92Å; D364-R377 PolarHBondContact OD2-NE 2.83Å; D364-R377 IonicContact OD2-NH2 3.71Å; D364-R377 PolarHBondContact OD2-NH2 3.15Å; N374-R377 HydrophobicContact CB-CB 4.44Å; N374-R377 WeakPolarHBondContact ND2-CG 3.37Å; N374-R377 PolarHBondContact O-N 2.83Å; N374-R377 VanDerWaalsContact O-N 3.14Å; R377-L379 PolarHBondContact O-N 3.39Å; R377-H404 PolarHBondContact NE-NE2 3.41Å; R377-H404 PolarHBondContact NH2-CD2 3.41Å; R377-H404 VanDerWaalsContact NH2-CD2 3.3Å; R377-H404 PolarHBondContact NH2-NE2 2.87Å; R377-H404 PolarHBondContact NH2-O 2.83Å
378	G	78.8	Confident	92.1	Very high	25 Å²	25	44.5 Å²	44.5	26%	0.258	24%	0.24	S	C	.	.	S	Bend	trans	78.4	-10.8	-171.9	0	0	0	0	0	114.6	N374	N374-G378 PolarHBondContact O-N 3.49Å
379	L	85.8	Confident	92.3	Very high	14 Å²	14	40.6 Å²	40.6	7%	0.073	22%	0.224	C	C	.	.	S	Bend	trans	-138.5	162.9	176.8	-78.9	127.6	0	0	0	110.3	A85 L341 Q358 W362 N374 R377	A85-L379 HydrophobicContact CB-CD1 4.46Å; L341-L379 HydrophobicContact CD2-CD1 3.43Å; L341-L379 VanDerWaalsContact CD2-CD1 3.43Å; Q358-L379 HydrophobicContact CG-CD2 4.15Å; W362-L379 HydrophobicContact CB-CB 3.91Å; W362-L379 HydrophobicContact CD2-CB 4Å; W362-L379 HydrophobicContact CD2-CD1 4.46Å; W362-L379 HydrophobicContact CE3-CB 4.41Å; W362-L379 HydrophobicContact CG-CB 3.78Å; N374-L379 WeakPolarHBondContact CB-O 3.27Å; R377-L379 PolarHBondContact O-N 3.39Å
380	G	90.7	Very high	92.3	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.22	C	C	.	.	S	Bend	trans	74.3	-161.9	-177.3	0	0	0	0	0	112.9	D359 N374	D359-G380 WeakPolarHBondContact OD1-CA 3.34Å; N374-G380 PolarHBondContact N-O 3.15Å
381	C	94.2	Very high	92.5	Very high	7 Å²	7	39.3 Å²	39.3	5%	0.047	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	161	-179.8	64.2	0	0	0	0	112	I320 S363 D364 L371 L372	I320-C381 PolarHBondContact O-SG 2.81Å; S363-C381 CarbonylContact C-O 3.59Å; S363-C381 WeakPolarHBondContact CA-O 3.04Å; S363-C381 WeakPolarHBondContact CB-O 3.2Å; S363-C381 PolarHBondContact OG-N 3.14Å; S363-C381 VanDerWaalsContact OG-N 3.09Å; S363-C381 PolarHBondContact OG-SG 3.32Å; D364-C381 PolarHBondContact N-O 2.86Å; L371-C381 HydrophobicContact CD1-CB 3.75Å; L371-C381 WeakPolarHBondContact CD1-SG 3.25Å; L371-C381 HydrophobicContact CG-CB 4.11Å; L372-C381 CarbonylContact O-C 3.57Å; L372-C381 VanDerWaalsContact O-CA 3.26Å; L372-C381 WeakPolarHBondContact O-CA 3.36Å; L372-C381 WeakPolarHBondContact O-CB 3.4Å
382	S	96.3	Very high	92.6	Very high	15 Å²	15	36.2 Å²	36.2	11%	0.105	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	114.8	164.8	-65.8	0	0	0	0	108.8	D364 Q366 L371 L372	D364-S382 CarbonylContact O-C 3.55Å; D364-S382 WeakPolarHBondContact O-CA 3.25Å; Q366-S382 PolarHBondContact NE2-O 2.8Å; L371-S382 WeakPolarHBondContact CA-O 3.4Å; L372-S382 PolarHBondContact N-O 3.47Å; L372-S382 PolarHBondContact O-N 3.26Å
383	F	98.3	Very high	92.8	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	135.4	-172.3	64.9	-85.2	0	0	0	112.7	I320 D364 P365 Q366 L371 I387 T388 L400 H415 L419	I320-F383 HydrophobicContact CG1-CD2 3.96Å; I320-F383 HydrophobicContact CG1-CE2 3.98Å; I320-F383 HydrophobicContact CG1-CG 4.32Å; I320-F383 HydrophobicContact CG1-CZ 4.37Å; I320-F383 WeakPolarHBondContact O-CB 3.43Å; I320-F383 WeakPolarHBondContact O-CD1 3.43Å; I320-F383 WeakPolarHBondContact O-CG 3.46Å; D364-F383 WeakPolarHBondContact O-CD1 3.5Å; D364-F383 WeakPolarHBondContact O-CE1 3.35Å; D364-F383 PolarHBondContact O-N 3.17Å; P365-F383 CarbonylContact C-O 3.53Å; P365-F383 WeakPolarHBondContact CA-O 3.27Å; P365-F383 HydrophobicContact CB-CE1 4.4Å; P365-F383 HydrophobicContact CB-CE2 4.21Å; P365-F383 HydrophobicContact CB-CZ 3.98Å; Q366-F383 WeakPolarHBondContact CG-O 3.43Å; Q366-F383 PolarHBondContact N-O 2.86Å; L371-F383 HydrophobicContact CD1-CB 3.8Å; F383-I387 HydrophobicContact CB-CB 4.07Å; F383-I387 HydrophobicContact CB-CG1 4.28Å; F383-I387 HydrophobicContact CB-CG2 4.02Å; F383-T388 WeakPolarHBondContact CE2-OG1 3.39Å; F383-L400 HydrophobicContact CE2-CD2 4.26Å; F383-L400 HydrophobicContact CZ-CD2 4.42Å; F383-H415 AromaticContact CD2-CE1 3.87Å; F383-H415 AromaticContact CE2-CE1 3.83Å; F383-H415 PolarHBondContact O-CE1 3.33Å; F383-H415 VanDerWaalsContact O-CE1 3.27Å; F383-L419 HydrophobicContact CE2-CD2 3.9Å; F383-L419 HydrophobicContact CZ-CD2 4.03Å
384	G	98.4	Very high	93.3	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.19	C	C	.	.			trans	-85.6	176.9	-178.9	0	0	0	0	0	115	Q368 G370 D386 I387 T388 H415	Q368-G384 WeakPolarHBondContact O-CA 3.48Å; G370-G384 PolarHBondContact O-N 3.24Å; G384-D386 VanDerWaalsContact C-N 3.27Å; G384-D386 PolarHBondContact O-N 3.09Å; G384-I387 PolarHBondContact O-N 3.37Å; G384-I387 VanDerWaalsContact O-N 3.17Å; G384-T388 PolarHBondContact O-N 2.89Å; G384-H415 VanDerWaalsContact C-CE1 3.47Å
385	P	98.5	Very high	93.8	Very high	24 Å²	24	37.9 Å²	37.9	16%	0.156	20%	0.199	C	C	.	.	H	α-helix	trans	-62.7	-29.4	179	24.5	-34.7	0	0	0	114.2	N389 H415	P385-N389 WeakPolarHBondContact O-CB 3.33Å; P385-N389 PolarHBondContact O-N 3.45Å; P385-H415 HydrophobicContact CB-CB 3.87Å
386	D	98.4	Very high	94.5	Very high	64 Å²	64	36.7 Å²	36.7	34%	0.342	20%	0.197	S	C	.	.	H	α-helix	trans	-65.7	-39	174.4	57.4	-51.5	0	0	0	112.1	S369 G370 G384 N389 S390	S369-D386 WeakPolarHBondContact CA-OD1 3.49Å; S369-D386 VanDerWaalsContact CB-OD1 3.27Å; S369-D386 WeakPolarHBondContact CB-OD1 3.24Å; S369-D386 PolarHBondContact OG-OD1 3.31Å; G370-D386 PolarHBondContact N-OD1 2.98Å; G370-D386 PolarHBondContact N-OD2 3.49Å; G370-D386 VanDerWaalsContact N-OD2 3.17Å; G384-D386 VanDerWaalsContact C-N 3.27Å; G384-D386 PolarHBondContact O-N 3.09Å; D386-N389 PolarHBondContact O-N 3.39Å; D386-S390 VanDerWaalsContact O-CB 3.24Å; D386-S390 WeakPolarHBondContact O-CB 3.47Å; D386-S390 PolarHBondContact O-N 2.95Å
387	I	98.5	Very high	95.4	Very high	18 Å²	18	33.7 Å²	33.7	9%	0.092	19%	0.187	C	C	.	.	H	α-helix	trans	-66.3	-46.1	176	-53.4	-54.2	0	0	0	110.3	I320 D322 L371 F383 G384 S390 F391	I320-I387 HydrophobicContact CD1-CG2 4.3Å; I320-I387 HydrophobicContact CG1-CG2 4.47Å; D322-I387 HydrophobicContact CB-CD1 4.1Å; L371-I387 HydrophobicContact CD1-CG1 4.43Å; F383-I387 HydrophobicContact CB-CB 4.07Å; F383-I387 HydrophobicContact CB-CG1 4.28Å; F383-I387 HydrophobicContact CB-CG2 4.02Å; G384-I387 PolarHBondContact O-N 3.37Å; G384-I387 VanDerWaalsContact O-N 3.17Å; I387-S390 PolarHBondContact O-N 3.24Å; I387-F391 WeakPolarHBondContact O-CB 3.38Å; I387-F391 PolarHBondContact O-N 3.3Å
388	T	98.7	Very high	96.1	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-58.5	-49.5	174.2	-60.9	0	0	0	0	112	F383 G384 S390 F391 L392 H415 Q418 L419	F383-T388 WeakPolarHBondContact CE2-OG1 3.39Å; G384-T388 PolarHBondContact O-N 2.89Å; T388-S390 PolarHBondContact O-N 2.93Å; T388-F391 PolarHBondContact O-N 2.81Å; T388-L392 HydrophobicContact CG2-CD1 3.89Å; T388-L392 HydrophobicContact CG2-CG 4.34Å; T388-L392 WeakPolarHBondContact O-CB 3.18Å; T388-L392 VanDerWaalsContact O-CG 3.27Å; T388-L392 WeakPolarHBondContact O-CG 3.46Å; T388-L392 PolarHBondContact O-N 2.75Å; T388-H415 HydrophobicContact CG2-CB 4.35Å; T388-H415 PolarHBondContact OG1-ND1 3.17Å; T388-Q418 HydrophobicContact CG2-CB 4.04Å; T388-L419 HydrophobicContact CG2-CB 4.43Å
389	N	98.5	Very high	97.1	Very high	64 Å²	64	36.1 Å²	36.1	34%	0.342	20%	0.2	S	C	.	.	H	α-helix	trans	-62.3	-43.2	179.7	-174.8	42.5	0	0	0	111.8	P385 D386 L392 N393 Q418	P385-N389 WeakPolarHBondContact O-CB 3.33Å; P385-N389 PolarHBondContact O-N 3.45Å; D386-N389 PolarHBondContact O-N 3.39Å; N389-L392 PolarHBondContact O-N 3.05Å; N389-N393 WeakPolarHBondContact O-CB 3.41Å; N389-N393 PolarHBondContact O-N 3.27Å; N389-N393 PolarHBondContact O-ND2 3.31Å; N389-N393 PolarHBondContact OD1-ND2 3.45Å; N389-Q418 PolarHBondContact OD1-NE2 2.64Å
390	S	98.4	Very high	97.7	Very high	76 Å²	76	35.5 Å²	35.5	53%	0.531	20%	0.197	S	C	.	.	H	α-helix	trans	-59.9	-49	177.2	-175.3	0	0	0	0	111.8	D386 I387 T388 N393 K394	D386-S390 VanDerWaalsContact O-CB 3.24Å; D386-S390 WeakPolarHBondContact O-CB 3.47Å; D386-S390 PolarHBondContact O-N 2.95Å; I387-S390 PolarHBondContact O-N 3.24Å; T388-S390 PolarHBondContact O-N 2.93Å; S390-N393 PolarHBondContact O-N 2.92Å; S390-K394 VanDerWaalsContact O-CB 3.24Å; S390-K394 WeakPolarHBondContact O-CB 3.33Å; S390-K394 PolarHBondContact O-N 2.93Å
391	F	98.5	Very high	98.1	Very high	7 Å²	7	35.5 Å²	35.5	3%	0.031	20%	0.197	C	C	.	.	H	α-helix	trans	-60.5	-47.5	178.1	169.9	-96.7	0	0	0	112.5	F314 I320 T324 L326 I387 T388 N393 K394 H395 L397	F314-F391 HydrophobicContact CB-CE1 4.34Å; F314-F391 HydrophobicContact CD1-CE1 4.01Å; F314-F391 AromaticContact CD1-CZ 3.8Å; F314-F391 HydrophobicContact CD1-CZ 3.8Å; F314-F391 HydrophobicContact CE1-CZ 4.09Å; F314-F391 HydrophobicContact CG-CE1 4.32Å; F314-F391 HydrophobicContact CG-CZ 4.12Å; I320-F391 HydrophobicContact CD1-CB 3.37Å; I320-F391 HydrophobicContact CD1-CD1 3.67Å; I320-F391 HydrophobicContact CD1-CD2 4.16Å; I320-F391 HydrophobicContact CD1-CE1 4.5Å; I320-F391 HydrophobicContact CD1-CG 3.46Å; I320-F391 VanDerWaalsContact CD1-CG 3.46Å; I320-F391 HydrophobicContact CG2-CE1 4.36Å; I320-F391 HydrophobicContact CG2-CE2 4.38Å; I320-F391 HydrophobicContact CG2-CZ 4.29Å; T324-F391 HydrophobicContact CG2-CD2 4.15Å; T324-F391 HydrophobicContact CG2-CE2 3.67Å; L326-F391 HydrophobicContact CD2-CE2 4.06Å; L326-F391 HydrophobicContact CD2-CZ 3.97Å; L326-F391 HydrophobicContact CG-CE2 4.36Å; L326-F391 HydrophobicContact CG-CZ 4.43Å; I387-F391 WeakPolarHBondContact O-CB 3.38Å; I387-F391 PolarHBondContact O-N 3.3Å; T388-F391 PolarHBondContact O-N 2.81Å; F391-N393 PolarHBondContact O-N 3.08Å; F391-K394 PolarHBondContact O-N 2.95Å; F391-H395 AromaticContact CD2-CD2 3.59Å; F391-H395 AromaticContact CE2-CD2 3.48Å; F391-H395 VanDerWaalsContact CE2-CD2 3.48Å; F391-H395 WeakPolarHBondContact CE2-CD2 3.32Å; F391-H395 AromaticContact CE2-NE2 3.98Å; F391-H395 PolarHBondContact O-CD2 2.88Å; F391-H395 PolarHBondContact O-N 2.99Å; F391-H395 VanDerWaalsContact O-N 3.1Å; F391-L397 HydrophobicContact CE1-CD1 3.72Å; F391-L397 HydrophobicContact CZ-CD1 4.06Å
392	L	98.6	Very high	98.3	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-62.6	-43.2	179.7	-68.6	176.9	0	0	0	111.4	T388 N389 H395 N396 L397 L400 Q418	T388-L392 HydrophobicContact CG2-CD1 3.89Å; T388-L392 HydrophobicContact CG2-CG 4.34Å; T388-L392 WeakPolarHBondContact O-CB 3.18Å; T388-L392 VanDerWaalsContact O-CG 3.27Å; T388-L392 WeakPolarHBondContact O-CG 3.46Å; T388-L392 PolarHBondContact O-N 2.75Å; N389-L392 PolarHBondContact O-N 3.05Å; L392-H395 PolarHBondContact O-N 3.09Å; L392-N396 WeakPolarHBondContact O-CA 3.36Å; L392-N396 PolarHBondContact O-N 2.67Å; L392-L397 HydrophobicContact CB-CB 4.38Å; L392-L397 HydrophobicContact CD2-CB 3.51Å; L392-L397 HydrophobicContact CD2-CD1 4.22Å; L392-L397 PolarHBondContact O-N 2.92Å; L392-L400 HydrophobicContact CD2-CB 4.35Å; L392-Q418 HydrophobicContact CD1-CB 3.67Å; L392-Q418 HydrophobicContact CD1-CG 4.27Å
393	N	98.3	Very high	98.4	Very high	104 Å²	104	34.4 Å²	34.4	56%	0.556	19%	0.19	S	C	*	.	H	α-helix	trans	-66.4	-43.7	176.8	-68.7	-35.4	0	0	0	112	N389 S390 F391 H395 N396	N389-N393 WeakPolarHBondContact O-CB 3.41Å; N389-N393 PolarHBondContact O-N 3.27Å; N389-N393 PolarHBondContact O-ND2 3.31Å; N389-N393 PolarHBondContact OD1-ND2 3.45Å; S390-N393 PolarHBondContact O-N 2.92Å; F391-N393 PolarHBondContact O-N 3.08Å; N393-H395 PolarHBondContact O-N 3.01Å; N393-N396 PolarHBondContact O-N 2.99Å
394	K	98.2	Very high	98.4	Very high	111 Å²	111	34.8 Å²	34.8	48%	0.483	19%	0.191	S	C	.	.	H	α-helix	trans	-55.6	-40.9	178.1	177.6	-173.4	169.7	-161.3	0	111.7	T324 D325 S390 F391	T324-K394 PolarHBondContact O-NZ 2.89Å; D325-K394 WeakPolarHBondContact OD1-CE 3.43Å; D325-K394 IonicContact OD1-NZ 2.67Å; D325-K394 PolarHBondContact OD1-NZ 3.3Å; S390-K394 VanDerWaalsContact O-CB 3.24Å; S390-K394 WeakPolarHBondContact O-CB 3.33Å; S390-K394 PolarHBondContact O-N 2.93Å; F391-K394 PolarHBondContact O-N 2.95Å
395	H	98	Very high	98.2	Very high	41 Å²	41	35.2 Å²	35.2	19%	0.19	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.4	10.4	-176.3	-64.9	-66.4	0	0	0	114	D325 L326 F391 L392 N393 L397	D325-H395 IonicContact OD1-CE1 2.73Å; L326-H395 HydrophobicContact CD1-CB 3.91Å; L326-H395 PolarHBondContact N-CE1 2.81Å; F391-H395 AromaticContact CD2-CD2 3.59Å; F391-H395 AromaticContact CE2-CD2 3.48Å; F391-H395 VanDerWaalsContact CE2-CD2 3.48Å; F391-H395 WeakPolarHBondContact CE2-CD2 3.32Å; F391-H395 AromaticContact CE2-NE2 3.98Å; F391-H395 PolarHBondContact O-CD2 2.88Å; F391-H395 PolarHBondContact O-N 2.99Å; F391-H395 VanDerWaalsContact O-N 3.1Å; L392-H395 PolarHBondContact O-N 3.09Å; N393-H395 PolarHBondContact O-N 3.01Å; H395-L397 VanDerWaalsContact C-N 3.26Å; H395-L397 HydrophobicContact CB-CD1 3.9Å; H395-L397 HydrophobicContact CB-CG 3.89Å; H395-L397 PolarHBondContact O-N 2.82Å
396	N	97.9	Very high	98	Very high	118 Å²	118	34.5 Å²	34.5	63%	0.631	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.5	39	-179.8	-169.3	28.2	0	0	0	114.3	K312 L392 N393	K312-N396 PolarHBondContact NZ-O 2.84Å; L392-N396 WeakPolarHBondContact O-CA 3.36Å; L392-N396 PolarHBondContact O-N 2.67Å; N393-N396 PolarHBondContact O-N 2.99Å
397	L	98.3	Very high	97.8	Very high	15 Å²	15	32.2 Å²	32.2	8%	0.079	18%	0.176	C	C	.	.			trans	-100	158.3	179.1	-57.6	176.1	0	0	0	110.8	L308 K312 F314 L326 F391 L392 H395	L308-L397 HydrophobicContact CD1-CD2 3.46Å; L308-L397 VanDerWaalsContact CD1-CD2 3.46Å; K312-L397 CarbonylContact O-C 3.54Å; K312-L397 WeakPolarHBondContact O-CA 3.47Å; K312-L397 WeakPolarHBondContact O-CB 3.34Å; F314-L397 HydrophobicContact CB-CD1 3.67Å; F314-L397 HydrophobicContact CG-CD1 4.45Å; L326-L397 HydrophobicContact CD1-CD1 4.36Å; F391-L397 HydrophobicContact CE1-CD1 3.72Å; F391-L397 HydrophobicContact CZ-CD1 4.06Å; L392-L397 HydrophobicContact CB-CB 4.38Å; L392-L397 HydrophobicContact CD2-CB 3.51Å; L392-L397 HydrophobicContact CD2-CD1 4.22Å; L392-L397 PolarHBondContact O-N 2.92Å; H395-L397 VanDerWaalsContact C-N 3.26Å; H395-L397 HydrophobicContact CB-CD1 3.9Å; H395-L397 HydrophobicContact CB-CG 3.89Å; H395-L397 PolarHBondContact O-N 2.82Å
398	S	97.4	Very high	97.5	Very high	70 Å²	70	33.3 Å²	33.3	49%	0.49	18%	0.184	S	C	.	.	S	Bend	trans	-106.8	-24	178.1	60	0	0	0	0	113.6	K312	K312-S398 PolarHBondContact O-N 3.01Å; K312-S398 PolarHBondContact O-OG 2.95Å
399	L	98.6	Very high	97.3	Very high	11 Å²	11	36.2 Å²	36.2	6%	0.058	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	140.4	-172.7	-179.9	66.7	0	0	0	112.2	K312 I313 F314 I401 W413 Q418 L420 I447	K312-L399 PolarHBondContact O-N 2.92Å; I313-L399 WeakPolarHBondContact CA-O 3.31Å; I313-L399 HydrophobicContact CD1-CD2 4.38Å; I313-L399 HydrophobicContact CG1-CB 4.18Å; I313-L399 HydrophobicContact CG1-CD2 4.49Å; I313-L399 HydrophobicContact CG2-CB 4.19Å; I313-L399 HydrophobicContact CG2-CD2 4.05Å; I313-L399 HydrophobicContact CG2-CG 4.23Å; F314-L399 PolarHBondContact N-O 2.99Å; L399-I401 HydrophobicContact CD2-CD1 3.95Å; L399-I401 HydrophobicContact CD2-CG1 3.73Å; L399-I401 HydrophobicContact CG-CG1 3.98Å; L399-W413 HydrophobicContact CD1-CH2 4.39Å; L399-W413 HydrophobicContact CD1-CZ3 3.69Å; L399-W413 HydrophobicContact CD2-CH2 4.43Å; L399-W413 HydrophobicContact CD2-CZ3 4.5Å; L399-Q418 WeakPolarHBondContact CD1-O 3.34Å; L399-L420 HydrophobicContact CD1-CB 4.4Å; L399-I447 HydrophobicContact CD2-CD1 3.13Å
400	L	98.8	Very high	97.3	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	125.6	164.6	177.3	60.1	0	0	0	109.1	F314 I320 F383 L392 Q418 L419 L420	F314-L400 HydrophobicContact CD1-CD1 3.64Å; F314-L400 HydrophobicContact CE1-CD1 4.44Å; I320-L400 HydrophobicContact CD1-CD2 3.98Å; I320-L400 HydrophobicContact CG1-CD2 3.93Å; I320-L400 HydrophobicContact CG2-CD1 4.38Å; I320-L400 HydrophobicContact CG2-CD2 4.12Å; F383-L400 HydrophobicContact CE2-CD2 4.26Å; F383-L400 HydrophobicContact CZ-CD2 4.42Å; L392-L400 HydrophobicContact CD2-CB 4.35Å; L400-Q418 PolarHBondContact N-O 3.2Å; L400-L419 HydrophobicContact CB-CD1 3.83Å; L400-L419 HydrophobicContact CD2-CD1 3.64Å; L400-L419 HydrophobicContact CG-CD1 3.49Å; L400-L419 VanDerWaalsContact CG-CD1 3.49Å; L400-L419 WeakPolarHBondContact O-CA 3.35Å; L400-L419 WeakPolarHBondContact O-CD1 3.28Å; L400-L420 PolarHBondContact O-N 3.47Å
401	I	98.9	Very high	97.3	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	133.7	169.7	-56.5	-178.5	0	0	0	108.5	V201 I313 F314 V315 C316 L399 L420 I422 I441 I447	V201-I401 HydrophobicContact CG1-CG2 4.09Å; V201-I401 HydrophobicContact CG2-CD1 4.31Å; I313-I401 HydrophobicContact CG2-CD1 3.53Å; I313-I401 HydrophobicContact CG2-CG1 3.69Å; F314-I401 PolarHBondContact O-N 3.45Å; V315-I401 WeakPolarHBondContact CA-O 3.33Å; V315-I401 HydrophobicContact CG1-CB 4.32Å; V315-I401 HydrophobicContact CG1-CG2 4.36Å; V315-I401 HydrophobicContact CG2-CB 4.19Å; C316-I401 PolarHBondContact N-O 3.03Å; C316-I401 VanDerWaalsContact N-O 3.17Å; L399-I401 HydrophobicContact CD2-CD1 3.95Å; L399-I401 HydrophobicContact CD2-CG1 3.73Å; L399-I401 HydrophobicContact CG-CG1 3.98Å; I401-L420 CarbonylContact C-O 3.35Å; I401-L420 WeakPolarHBondContact CA-O 3.49Å; I401-L420 HydrophobicContact CD1-CD2 4.34Å; I401-L420 HydrophobicContact CG1-CB 4.32Å; I401-L420 HydrophobicContact CG1-CD2 4.36Å; I401-I422 HydrophobicContact CG2-CG1 4.21Å; I401-I441 HydrophobicContact CD1-CD1 3.7Å; I401-I441 HydrophobicContact CD1-CG1 4.47Å; I401-I447 HydrophobicContact CD1-CD1 4.28Å
402	R	98.8	Very high	97.3	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	175	176	64.9	156.7	-76.1	158.7	-15.8	113.6	C316 G318 S363 D364 H404 L419 L420 T421 I422	C316-R402 VanDerWaalsContact O-CA 3.24Å; C316-R402 WeakPolarHBondContact O-CA 3.05Å; G318-R402 VanDerWaalsContact C-NH1 3.31Å; G318-R402 WeakPolarHBondContact O-CB 3.36Å; G318-R402 WeakPolarHBondContact O-CD 3.25Å; G318-R402 PolarHBondContact O-NE 3.23Å; G318-R402 VanDerWaalsContact O-NE 3.08Å; G318-R402 PolarHBondContact O-NH1 3.16Å; S363-R402 PolarHBondContact O-NH1 2.98Å; D364-R402 IonicContact OD1-CZ 2.75Å; D364-R402 IonicContact OD1-NH1 3.21Å; D364-R402 IonicContact OD1-NH2 3.46Å; D364-R402 PolarHBondContact OD1-NH2 2.95Å; R402-H404 VanDerWaalsContact NH2-CB 3.35Å; R402-L419 HydrophobicContact CG-CD1 3.86Å; R402-L420 PolarHBondContact N-O 2.87Å; R402-T421 HydrophobicContact CG-CG2 4.41Å; R402-T421 CarbonylContact O-C 3.48Å; R402-T421 WeakPolarHBondContact O-CA 3.26Å; R402-I422 PolarHBondContact O-N 2.87Å
403	S	98.7	Very high	97.3	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.202	C	C	.	.			trans	-127.7	-129.2	173	-42.6	0	0	0	0	111.1	G203 D204 N231 H317 E405 I422	G203-S403 VanDerWaalsContact CA-OG 3.31Å; G203-S403 WeakPolarHBondContact CA-OG 3.11Å; D204-S403 WeakPolarHBondContact OD1-CB 3.25Å; N231-S403 PolarHBondContact ND2-OG 3.45Å; H317-S403 CarbonylContact O-C 3.35Å; H317-S403 WeakPolarHBondContact O-CA 3.41Å; H317-S403 PolarHBondContact O-N 2.86Å; S403-E405 PolarHBondContact O-N 2.85Å; S403-I422 VanDerWaalsContact CA-O 3.25Å; S403-I422 WeakPolarHBondContact CA-O 3.21Å; S403-I422 VanDerWaalsContact CB-O 3.26Å; S403-I422 WeakPolarHBondContact CB-O 3.35Å; S403-I422 PolarHBondContact OG-O 2.68Å
404	H	97	Very high	97.2	Very high	8 Å²	8	36.5 Å²	36.5	4%	0.037	18%	0.183	C	C	.	.	S	Bend	trans	66.6	-17.3	166.3	-173.1	64.8	0	0	0	117.4	D204 N265 H317 D364 R377 R402	D204-H404 PolarHBondContact OD1-N 2.91Å; D204-H404 WeakPolarHBondContact OD2-CA 3.36Å; D204-H404 PolarHBondContact OD2-N 2.92Å; N265-H404 VanDerWaalsContact CG-CE1 3.45Å; N265-H404 PolarHBondContact OD1-CE1 3.17Å; N265-H404 PolarHBondContact OD1-ND1 2.71Å; H317-H404 AromaticContact CD2-ND1 3.9Å; H317-H404 WeakPolarHBondContact NE2-CB 3.48Å; H317-H404 AromaticContact NE2-CG 3.64Å; H317-H404 AromaticContact NE2-ND1 3.26Å; H317-H404 PolarHBondContact NE2-ND1 2.97Å; H317-H404 WeakPolarHBondContact O-CB 2.82Å; D364-H404 IonicContact OD1-CD2 2.91Å; D364-H404 PolarHBondContact OD1-CD2 2.91Å; D364-H404 IonicContact OD1-NE2 3.75Å; R377-H404 PolarHBondContact NE-NE2 3.41Å; R377-H404 PolarHBondContact NH2-CD2 3.41Å; R377-H404 VanDerWaalsContact NH2-CD2 3.3Å; R377-H404 PolarHBondContact NH2-NE2 2.87Å; R377-H404 PolarHBondContact NH2-O 2.83Å; R402-H404 VanDerWaalsContact NH2-CB 3.35Å
405	E	94.6	Very high	97.2	Very high	8 Å²	8	32 Å²	32	4%	0.037	16%	0.164	C	C	.	.	S	Bend	trans	-119.9	118.5	173.2	-85.2	-176.3	141.6	0	0	109.9	D364 R376 S403 K407 T421	D364-E405 WeakPolarHBondContact OD1-CG 3.29Å; R376-E405 IonicContact NH2-OE1 3.15Å; R376-E405 PolarHBondContact NH2-OE1 3.4Å; R376-E405 VanDerWaalsContact NH2-OE1 3.15Å; S403-E405 PolarHBondContact O-N 2.85Å; E405-K407 PolarHBondContact O-N 3.16Å; E405-K407 IonicContact OE2-NZ 3.41Å; E405-K407 PolarHBondContact OE2-NZ 3.23Å; E405-T421 HydrophobicContact CB-CG2 4.29Å
406	C	94.6	Very high	97.2	Very high	10 Å²	10	36.8 Å²	36.8	7%	0.068	19%	0.191	C	C	.	.			trans	-60.1	136.9	171.6	-169.5	0	0	0	0	110.5	W70 F423 Y428	W70-C406 HydrophobicContact CH2-CB 4.26Å; W70-C406 VanDerWaalsContact CH2-SG 3.55Å; W70-C406 WeakPolarHBondContact CZ2-O 3.4Å; C406-F423 HydrophobicContact CB-CD1 4.18Å; C406-F423 HydrophobicContact CB-CD2 4.14Å; C406-F423 HydrophobicContact CB-CE1 3.91Å; C406-F423 HydrophobicContact CB-CE2 3.84Å; C406-F423 HydrophobicContact CB-CG 4.28Å; C406-F423 HydrophobicContact CB-CZ 3.73Å; C406-F423 VanDerWaalsContact SG-CE1 3.51Å; C406-Y428 HydrophobicContact CB-CD1 4.09Å; C406-Y428 HydrophobicContact CB-CE1 4.41Å
407	K	94.7	Very high	97.2	Very high	16 Å²	16	38.7 Å²	38.7	7%	0.07	19%	0.193	C	C	.	.			trans	-125.6	142	178.2	-57.8	-62.1	173.9	177.6	0	110.1	W70 E405 E409 G410 E412 T421 N434	W70-K407 VanDerWaalsContact CH2-C 3.45Å; E405-K407 PolarHBondContact O-N 3.16Å; E405-K407 IonicContact OE2-NZ 3.41Å; E405-K407 PolarHBondContact OE2-NZ 3.23Å; K407-E409 PolarHBondContact O-N 2.86Å; K407-E409 VanDerWaalsContact O-N 3.1Å; K407-G410 PolarHBondContact O-N 3.1Å; K407-E412 HydrophobicContact CD-CB 3.75Å; K407-E412 VanDerWaalsContact CE-OE2 3.3Å; K407-E412 WeakPolarHBondContact CE-OE2 3.38Å; K407-E412 HydrophobicContact CG-CB 3.88Å; K407-E412 IonicContact NZ-OE2 2.92Å; K407-E412 PolarHBondContact NZ-OE2 2.74Å; K407-T421 HydrophobicContact CG-CG2 4.1Å; K407-N434 WeakPolarHBondContact O-CB 3.38Å
408	P	92.1	Very high	97.2	Very high	40 Å²	40	40.1 Å²	40.1	26%	0.26	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-33.8	-175.8	-26.3	33.6	0	0	0	114.1	R66 W70 N434 R435	R66-P408 PolarHBondContact NH2-O 2.64Å; W70-P408 HydrophobicContact CD2-CG 3.85Å; W70-P408 HydrophobicContact CE3-CB 4.43Å; W70-P408 HydrophobicContact CE3-CG 4.05Å; W70-P408 HydrophobicContact CH2-CB 4.43Å; W70-P408 HydrophobicContact CH2-CG 3.99Å; W70-P408 VanDerWaalsContact CZ2-CD 3.46Å; W70-P408 HydrophobicContact CZ2-CG 3.8Å; W70-P408 HydrophobicContact CZ3-CB 4.32Å; W70-P408 HydrophobicContact CZ3-CG 4.13Å; P408-N434 VanDerWaalsContact O-CA 3.3Å; P408-N434 WeakPolarHBondContact O-CA 3.45Å; P408-R435 PolarHBondContact O-N 3.43Å
409	E	95.2	Very high	97.2	Very high	61 Å²	61	36.8 Å²	36.8	29%	0.285	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.7	5.6	179.7	-67	-54.3	133.2	0	0	112.9	R66 K407 F411 R435 Q451	R66-E409 IonicContact CZ-OE1 2.78Å; R66-E409 IonicContact NH1-OE1 2.76Å; R66-E409 PolarHBondContact NH1-OE1 3.31Å; R66-E409 IonicContact NH2-OE1 3.69Å; R66-E409 PolarHBondContact NH2-OE1 2.92Å; K407-E409 PolarHBondContact O-N 2.86Å; K407-E409 VanDerWaalsContact O-N 3.1Å; E409-F411 HydrophobicContact CB-CD1 4.23Å; E409-F411 HydrophobicContact CB-CE1 4.15Å; E409-F411 WeakPolarHBondContact O-CD1 3.44Å; E409-F411 PolarHBondContact O-N 3.01Å; E409-R435 WeakPolarHBondContact OE2-CD 3.47Å; E409-R435 IonicContact OE2-NH1 2.66Å; E409-Q451 PolarHBondContact O-NE2 3.31Å; E409-Q451 PolarHBondContact OE2-NE2 3.42Å
410	G	97.3	Very high	97.2	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	17%	0.174	C	C	.	.	S	Bend	trans	77.9	-4.5	-175.7	0	0	0	0	0	114	K407 F423 R435 A437	K407-G410 PolarHBondContact O-N 3.1Å; G410-F423 WeakPolarHBondContact CA-O 3.44Å; G410-F423 PolarHBondContact O-N 3.27Å; G410-R435 WeakPolarHBondContact CA-O 3.28Å; G410-R435 PolarHBondContact N-O 2.78Å; G410-A437 WeakPolarHBondContact O-CB 3.08Å
411	F	98.6	Very high	97.2	Very high	53 Å²	53	36.2 Å²	36.2	23%	0.232	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	161.6	174.8	76.3	-74.6	0	0	0	112	E409 W413 L420 T421 I422 A437 I449 Q451	E409-F411 HydrophobicContact CB-CD1 4.23Å; E409-F411 HydrophobicContact CB-CE1 4.15Å; E409-F411 WeakPolarHBondContact O-CD1 3.44Å; E409-F411 PolarHBondContact O-N 3.01Å; F411-W413 AromaticContact CE2-CD1 3.89Å; F411-L420 HydrophobicContact CB-CD1 4.4Å; F411-L420 HydrophobicContact CD2-CD1 4.22Å; F411-T421 CarbonylContact C-O 3.57Å; F411-T421 WeakPolarHBondContact CA-O 3.1Å; F411-T421 WeakPolarHBondContact CB-O 3.14Å; F411-I422 HydrophobicContact CB-CD1 3.73Å; F411-A437 HydrophobicContact CB-CB 4.36Å; F411-A437 HydrophobicContact CD1-CB 4.42Å; F411-I449 HydrophobicContact CB-CG2 4.25Å; F411-I449 HydrophobicContact CD1-CG2 3.54Å; F411-I449 HydrophobicContact CD2-CD1 4.41Å; F411-I449 HydrophobicContact CD2-CG1 3.99Å; F411-I449 HydrophobicContact CD2-CG2 4.23Å; F411-I449 HydrophobicContact CE1-CG2 3.84Å; F411-I449 HydrophobicContact CE2-CG1 4.11Å; F411-I449 HydrophobicContact CE2-CG2 4.49Å; F411-I449 HydrophobicContact CG-CG1 4.33Å; F411-I449 HydrophobicContact CG-CG2 3.74Å; F411-I449 HydrophobicContact CZ-CG2 4.31Å; F411-Q451 HydrophobicContact CD1-CG 4.27Å; F411-Q451 HydrophobicContact CE1-CG 4.11Å
412	E	98.3	Very high	97.2	Very high	86 Å²	86	36.2 Å²	36.2	40%	0.402	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	135.2	171.7	-176.4	169.1	-109.2	0	0	111	K407 T421	K407-E412 HydrophobicContact CD-CB 3.75Å; K407-E412 VanDerWaalsContact CE-OE2 3.3Å; K407-E412 WeakPolarHBondContact CE-OE2 3.38Å; K407-E412 HydrophobicContact CG-CB 3.88Å; K407-E412 IonicContact NZ-OE2 2.92Å; K407-E412 PolarHBondContact NZ-OE2 2.74Å; E412-T421 PolarHBondContact N-O 3.03Å; E412-T421 PolarHBondContact O-N 2.78Å
413	W	98.5	Very high	97.2	Very high	95 Å²	95	36.4 Å²	36.4	36%	0.36	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	130.2	168.9	-71.7	98.4	0	0	0	109.7	L399 F411 K417 L419 L420 I447	L399-W413 HydrophobicContact CD1-CH2 4.39Å; L399-W413 HydrophobicContact CD1-CZ3 3.69Å; L399-W413 HydrophobicContact CD2-CH2 4.43Å; L399-W413 HydrophobicContact CD2-CZ3 4.5Å; F411-W413 AromaticContact CE2-CD1 3.89Å; W413-K417 HydrophobicContact CB-CG 4.45Å; W413-K417 HydrophobicContact CE3-CB 3.94Å; W413-K417 HydrophobicContact CE3-CG 4.49Å; W413-K417 HydrophobicContact CZ3-CB 4.37Å; W413-K417 WeakPolarHBondContact CZ3-O 3.15Å; W413-L419 WeakPolarHBondContact CA-O 3.34Å; W413-L420 HydrophobicContact CD2-CB 4.46Å; W413-L420 HydrophobicContact CD2-CD1 3.92Å; W413-L420 HydrophobicContact CE3-CB 3.99Å; W413-L420 HydrophobicContact CE3-CD1 4.31Å; W413-L420 HydrophobicContact CG-CD1 4.33Å; W413-L420 HydrophobicContact CH2-CB 4.24Å; W413-L420 HydrophobicContact CH2-CD2 4.05Å; W413-L420 HydrophobicContact CZ2-CD1 4.11Å; W413-L420 HydrophobicContact CZ2-CD2 4.05Å; W413-L420 HydrophobicContact CZ3-CB 3.89Å; W413-I447 HydrophobicContact CH2-CD1 4.04Å; W413-I447 HydrophobicContact CZ2-CB 4.39Å; W413-I447 HydrophobicContact CZ2-CG2 4.39Å
414	S	97.9	Very high	97.2	Very high	24 Å²	24	36.4 Å²	36.4	17%	0.168	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	176.8	178.4	56.2	0	0	0	0	110.8	N416 K417 Q418 L419	S414-N416 PolarHBondContact O-N 2.95Å; S414-K417 WeakPolarHBondContact O-CA 3.33Å; S414-K417 PolarHBondContact O-N 3.02Å; S414-Q418 PolarHBondContact O-N 3.41Å; S414-L419 PolarHBondContact N-O 2.91Å; S414-L419 PolarHBondContact O-N 3.24Å; S414-L419 WeakPolarHBondContact OG-CB 3.35Å; S414-L419 VanDerWaalsContact OG-CD2 3.27Å; S414-L419 WeakPolarHBondContact OG-CD2 3.5Å; S414-L419 WeakPolarHBondContact OG-CG 3.26Å
415	H	98.3	Very high	97.3	Very high	15 Å²	15	36 Å²	36	7%	0.069	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	48.2	56.7	178	-56.9	176	0	0	0	112.8	Q366 F383 G384 P385 T388 K417 Q418 L419	Q366-H415 PolarHBondContact O-NE2 3.3Å; F383-H415 AromaticContact CD2-CE1 3.87Å; F383-H415 AromaticContact CE2-CE1 3.83Å; F383-H415 PolarHBondContact O-CE1 3.33Å; F383-H415 VanDerWaalsContact O-CE1 3.27Å; G384-H415 VanDerWaalsContact C-CE1 3.47Å; P385-H415 HydrophobicContact CB-CB 3.87Å; T388-H415 HydrophobicContact CG2-CB 4.35Å; T388-H415 PolarHBondContact OG1-ND1 3.17Å; H415-K417 VanDerWaalsContact C-N 3.26Å; H415-K417 PolarHBondContact O-N 3.22Å; H415-Q418 VanDerWaalsContact O-CB 3.24Å; H415-Q418 WeakPolarHBondContact O-CB 3.45Å; H415-Q418 PolarHBondContact O-N 3.11Å; H415-L419 HydrophobicContact CB-CB 4.12Å
416	N	96.7	Very high	97.3	Very high	143 Å²	143	35.6 Å²	35.6	77%	0.765	17%	0.171	S	C	*	.	G	3₁₀ helix	trans	57.6	34.8	-179.4	-53.4	-42.3	0	0	0	114.2	S414 Q418	S414-N416 PolarHBondContact O-N 2.95Å; N416-Q418 PolarHBondContact O-N 2.76Å
417	K	97.3	Very high	97.2	Very high	157 Å²	157	36.3 Å²	36.3	68%	0.683	17%	0.174	S	C	*	.	G	3₁₀ helix	trans	65.3	17.3	-175.1	-53.7	-178.1	176.2	-179.4	0	114.4	W413 S414 H415 L419	W413-K417 HydrophobicContact CB-CG 4.45Å; W413-K417 HydrophobicContact CE3-CB 3.94Å; W413-K417 HydrophobicContact CE3-CG 4.49Å; W413-K417 HydrophobicContact CZ3-CB 4.37Å; W413-K417 WeakPolarHBondContact CZ3-O 3.15Å; S414-K417 WeakPolarHBondContact O-CA 3.33Å; S414-K417 PolarHBondContact O-N 3.02Å; H415-K417 VanDerWaalsContact C-N 3.26Å; H415-K417 PolarHBondContact O-N 3.22Å; K417-L419 VanDerWaalsContact C-N 3.34Å
418	Q	98.3	Very high	97.1	Very high	45 Å²	45	36.8 Å²	36.8	21%	0.21	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88	-6.7	170.9	-62.1	-178.5	-70.1	0	0	112.6	T388 N389 L392 L399 L400 S414 H415 N416	T388-Q418 HydrophobicContact CG2-CB 4.04Å; N389-Q418 PolarHBondContact OD1-NE2 2.64Å; L392-Q418 HydrophobicContact CD1-CB 3.67Å; L392-Q418 HydrophobicContact CD1-CG 4.27Å; L399-Q418 WeakPolarHBondContact CD1-O 3.34Å; L400-Q418 PolarHBondContact N-O 3.2Å; S414-Q418 PolarHBondContact O-N 3.41Å; H415-Q418 VanDerWaalsContact O-CB 3.24Å; H415-Q418 WeakPolarHBondContact O-CB 3.45Å; H415-Q418 PolarHBondContact O-N 3.11Å; N416-Q418 PolarHBondContact O-N 2.76Å
419	L	98.8	Very high	96.9	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	131.2	176	179.5	59.5	0	0	0	110.6	P365 F383 T388 L400 R402 W413 S414 H415 K417	P365-L419 HydrophobicContact CB-CD2 3.47Å; P365-L419 VanDerWaalsContact CB-CD2 3.47Å; P365-L419 HydrophobicContact CG-CD2 3.96Å; F383-L419 HydrophobicContact CE2-CD2 3.9Å; F383-L419 HydrophobicContact CZ-CD2 4.03Å; T388-L419 HydrophobicContact CG2-CB 4.43Å; L400-L419 HydrophobicContact CB-CD1 3.83Å; L400-L419 HydrophobicContact CD2-CD1 3.64Å; L400-L419 HydrophobicContact CG-CD1 3.49Å; L400-L419 VanDerWaalsContact CG-CD1 3.49Å; L400-L419 WeakPolarHBondContact O-CA 3.35Å; L400-L419 WeakPolarHBondContact O-CD1 3.28Å; R402-L419 HydrophobicContact CG-CD1 3.86Å; W413-L419 WeakPolarHBondContact CA-O 3.34Å; S414-L419 PolarHBondContact N-O 2.91Å; S414-L419 PolarHBondContact O-N 3.24Å; S414-L419 WeakPolarHBondContact OG-CB 3.35Å; S414-L419 VanDerWaalsContact OG-CD2 3.27Å; S414-L419 WeakPolarHBondContact OG-CD2 3.5Å; S414-L419 WeakPolarHBondContact OG-CG 3.26Å; H415-L419 HydrophobicContact CB-CB 4.12Å; K417-L419 VanDerWaalsContact C-N 3.34Å
420	L	98.9	Very high	96.4	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	119.3	174.2	174.9	61.7	0	0	0	109.9	L399 L400 I401 R402 F411 W413 I422 A439 I447 I449	L399-L420 HydrophobicContact CD1-CB 4.4Å; L400-L420 PolarHBondContact O-N 3.47Å; I401-L420 CarbonylContact C-O 3.35Å; I401-L420 WeakPolarHBondContact CA-O 3.49Å; I401-L420 HydrophobicContact CD1-CD2 4.34Å; I401-L420 HydrophobicContact CG1-CB 4.32Å; I401-L420 HydrophobicContact CG1-CD2 4.36Å; R402-L420 PolarHBondContact N-O 2.87Å; F411-L420 HydrophobicContact CB-CD1 4.4Å; F411-L420 HydrophobicContact CD2-CD1 4.22Å; W413-L420 HydrophobicContact CD2-CB 4.46Å; W413-L420 HydrophobicContact CD2-CD1 3.92Å; W413-L420 HydrophobicContact CE3-CB 3.99Å; W413-L420 HydrophobicContact CE3-CD1 4.31Å; W413-L420 HydrophobicContact CG-CD1 4.33Å; W413-L420 HydrophobicContact CH2-CB 4.24Å; W413-L420 HydrophobicContact CH2-CD2 4.05Å; W413-L420 HydrophobicContact CZ2-CD1 4.11Å; W413-L420 HydrophobicContact CZ2-CD2 4.05Å; W413-L420 HydrophobicContact CZ3-CB 3.89Å; L420-I422 HydrophobicContact CD1-CD1 3.91Å; L420-I422 HydrophobicContact CD2-CD1 3.98Å; L420-I422 HydrophobicContact CD2-CG1 4.2Å; L420-I422 HydrophobicContact CG-CD1 3.86Å; L420-I422 HydrophobicContact CG-CG1 4.01Å; L420-A439 HydrophobicContact CD2-CB 4.14Å; L420-I447 HydrophobicContact CD2-CD1 4.19Å; L420-I447 HydrophobicContact CD2-CG2 4Å; L420-I449 HydrophobicContact CD1-CD1 4.24Å; L420-I449 HydrophobicContact CD2-CD1 4.03Å
421	T	98.8	Very high	95.7	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	131.2	168.7	-56.1	0	0	0	0	109.7	R402 E405 K407 F411 E412	R402-T421 HydrophobicContact CG-CG2 4.41Å; R402-T421 CarbonylContact O-C 3.48Å; R402-T421 WeakPolarHBondContact O-CA 3.26Å; E405-T421 HydrophobicContact CB-CG2 4.29Å; K407-T421 HydrophobicContact CG-CG2 4.1Å; F411-T421 CarbonylContact C-O 3.57Å; F411-T421 WeakPolarHBondContact CA-O 3.1Å; F411-T421 WeakPolarHBondContact CB-O 3.14Å; E412-T421 PolarHBondContact N-O 3.03Å; E412-T421 PolarHBondContact O-N 2.78Å
422	I	98.7	Very high	94.9	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	133	175.7	-61.3	-62.1	0	0	0	110	I401 R402 S403 F411 L420 A437 A439 I449	I401-I422 HydrophobicContact CG2-CG1 4.21Å; R402-I422 PolarHBondContact O-N 2.87Å; S403-I422 VanDerWaalsContact CA-O 3.25Å; S403-I422 WeakPolarHBondContact CA-O 3.21Å; S403-I422 VanDerWaalsContact CB-O 3.26Å; S403-I422 WeakPolarHBondContact CB-O 3.35Å; S403-I422 PolarHBondContact OG-O 2.68Å; F411-I422 HydrophobicContact CB-CD1 3.73Å; L420-I422 HydrophobicContact CD1-CD1 3.91Å; L420-I422 HydrophobicContact CD2-CD1 3.98Å; L420-I422 HydrophobicContact CD2-CG1 4.2Å; L420-I422 HydrophobicContact CG-CD1 3.86Å; L420-I422 HydrophobicContact CG-CG1 4.01Å; I422-A437 WeakPolarHBondContact CG2-O 3.5Å; I422-A439 HydrophobicContact CD1-CB 3.77Å; I422-A439 HydrophobicContact CG1-CB 3.9Å; I422-I449 HydrophobicContact CD1-CD1 3.84Å
423	F	98.7	Very high	94.2	Very high	3 Å²	3	33.6 Å²	33.6	1%	0.013	17%	0.167	C	C	.	.	B	Isolated β-bridge	trans	-136.2	119.5	178.3	-164.3	-90.4	0	0	0	109.3	D204 C406 G410 A425 Y428 A437	D204-F423 HydrophobicContact CB-CD2 3.79Å; D204-F423 HydrophobicContact CB-CE2 3.57Å; D204-F423 HydrophobicContact CB-CZ 4.15Å; D204-F423 VanDerWaalsContact OD2-CD2 3.28Å; D204-F423 WeakPolarHBondContact OD2-CD2 2.97Å; D204-F423 WeakPolarHBondContact OD2-CE2 3.44Å; C406-F423 HydrophobicContact CB-CD1 4.18Å; C406-F423 HydrophobicContact CB-CD2 4.14Å; C406-F423 HydrophobicContact CB-CE1 3.91Å; C406-F423 HydrophobicContact CB-CE2 3.84Å; C406-F423 HydrophobicContact CB-CG 4.28Å; C406-F423 HydrophobicContact CB-CZ 3.73Å; C406-F423 VanDerWaalsContact SG-CE1 3.51Å; G410-F423 WeakPolarHBondContact CA-O 3.44Å; G410-F423 PolarHBondContact O-N 3.27Å; F423-A425 HydrophobicContact CD1-CB 4.08Å; F423-A425 WeakPolarHBondContact CD1-O 3.44Å; F423-A425 HydrophobicContact CE1-CB 3.41Å; F423-A425 VanDerWaalsContact CE1-CB 3.41Å; F423-A425 WeakPolarHBondContact CE1-O 3.5Å; F423-A425 HydrophobicContact CZ-CB 3.99Å; F423-Y428 HydrophobicContact CE1-CD1 4.27Å; F423-Y428 HydrophobicContact CE1-CD2 4.06Å; F423-Y428 AromaticContact CE1-CG 3.83Å; F423-Y428 HydrophobicContact CE1-CG 3.83Å; F423-Y428 HydrophobicContact CZ-CD1 4.03Å; F423-Y428 AromaticContact CZ-CD2 3.86Å; F423-Y428 HydrophobicContact CZ-CD2 3.86Å; F423-Y428 HydrophobicContact CZ-CE1 4.19Å; F423-Y428 HydrophobicContact CZ-CE2 4.05Å; F423-Y428 AromaticContact CZ-CG 3.85Å; F423-Y428 HydrophobicContact CZ-CG 3.85Å; F423-A437 PolarHBondContact O-N 3.38Å
424	S	98.7	Very high	93.9	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.151	C	C	.	.			trans	-100.6	-19.1	-167.9	-64.5	0	0	0	0	113.5	V202 G203 D204 S426 A437 Y452	V202-S424 WeakPolarHBondContact CG1-OG 3.37Å; G203-S424 PolarHBondContact N-OG 2.95Å; D204-S424 CarbonylContact O-C 3.56Å; D204-S424 WeakPolarHBondContact O-CA 3.2Å; D204-S424 WeakPolarHBondContact O-CB 3.45Å; D204-S424 PolarHBondContact O-N 3.44Å; D204-S424 VanDerWaalsContact O-N 3.1Å; S424-S426 PolarHBondContact O-N 3.24Å; S424-A437 PolarHBondContact OG-O 3.41Å; S424-Y452 WeakPolarHBondContact CB-OH 3.49Å; S424-Y452 PolarHBondContact O-OH 3.4Å
425	A	97.7	Very high	93.8	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.158	C	C	.	.			trans	-67	114.7	171.9	0	0	0	0	0	110.7	D204 Q208 F423 Y428 N434	D204-A425 PolarHBondContact O-N 3.45Å; Q208-A425 HydrophobicContact CG-CB 4.4Å; F423-A425 HydrophobicContact CD1-CB 4.08Å; F423-A425 WeakPolarHBondContact CD1-O 3.44Å; F423-A425 HydrophobicContact CE1-CB 3.41Å; F423-A425 VanDerWaalsContact CE1-CB 3.41Å; F423-A425 WeakPolarHBondContact CE1-O 3.5Å; F423-A425 HydrophobicContact CZ-CB 3.99Å; A425-Y428 HydrophobicContact CB-CD2 4.07Å; A425-N434 PolarHBondContact O-ND2 3.47Å
426	S	95.3	Very high	93.7	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99	148.9	-179.8	78.5	0	0	0	0	111.7	Q208 D211 S424 Y428 T454	Q208-S426 PolarHBondContact NE2-O 2.72Å; D211-S426 WeakPolarHBondContact OD1-CB 3.46Å; D211-S426 PolarHBondContact OD1-OG 2.92Å; D211-S426 PolarHBondContact OD2-N 3.01Å; S424-S426 PolarHBondContact O-N 3.24Å; S426-Y428 PolarHBondContact O-N 3.4Å; S426-T454 PolarHBondContact OG-N 2.87Å; S426-T454 PolarHBondContact OG-OG1 2.99Å
427	N	91.6	Very high	93.8	Very high	24 Å²	24	24.6 Å²	24.6	13%	0.128	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.5	36.8	-170.6	-51.4	-58.4	0	0	0	113.4	Y429 T430 G432 S433 N434 V453 T454	N427-Y429 VanDerWaalsContact C-N 3.31Å; N427-Y429 PolarHBondContact O-N 2.99Å; N427-T430 WeakPolarHBondContact CA-O 3.23Å; N427-T430 WeakPolarHBondContact CB-O 3.5Å; N427-T430 PolarHBondContact O-N 2.77Å; N427-G432 PolarHBondContact OD1-N 2.97Å; N427-S433 WeakPolarHBondContact CA-OG 3.48Å; N427-N434 WeakPolarHBondContact CA-OD1 3.36Å; N427-N434 PolarHBondContact N-O 3.09Å; N427-N434 PolarHBondContact N-OD1 2.88Å; N427-N434 VanDerWaalsContact N-OD1 3.1Å; N427-V453 WeakPolarHBondContact ND2-CG1 3.46Å; N427-T454 PolarHBondContact ND2-O 3.31Å
428	Y	92.9	Very high	93.9	Very high	26 Å²	26	17.2 Å²	17.2	10%	0.102	9%	0.086	C	C	.	.	S	Bend	trans	-51.5	-45.4	-170.2	175.9	-118.2	0	0	0	113.2	E77 H206 R237 C406 F423 A425 S426 N434	E77-Y428 WeakPolarHBondContact OE1-CE1 3.49Å; E77-Y428 PolarHBondContact OE1-OH 3.43Å; H206-Y428 HydrophobicContact CB-CE2 4.22Å; H206-Y428 AromaticContact CD2-CE2 3.45Å; H206-Y428 VanDerWaalsContact CD2-CE2 3.45Å; H206-Y428 WeakPolarHBondContact CD2-CE2 3.36Å; R237-Y428 HydrophobicContact CB-CE2 4.05Å; R237-Y428 HydrophobicContact CG-CE2 4.01Å; R237-Y428 WeakPolarHBondContact CG-OH 3.09Å; R237-Y428 PolarHBondContact NE-OH 2.72Å; R237-Y428 PolarHBondContact NH1-OH 2.85Å; C406-Y428 HydrophobicContact CB-CD1 4.09Å; C406-Y428 HydrophobicContact CB-CE1 4.41Å; F423-Y428 HydrophobicContact CE1-CD1 4.27Å; F423-Y428 HydrophobicContact CE1-CD2 4.06Å; F423-Y428 AromaticContact CE1-CG 3.83Å; F423-Y428 HydrophobicContact CE1-CG 3.83Å; F423-Y428 HydrophobicContact CZ-CD1 4.03Å; F423-Y428 AromaticContact CZ-CD2 3.86Å; F423-Y428 HydrophobicContact CZ-CD2 3.86Å; F423-Y428 HydrophobicContact CZ-CE1 4.19Å; F423-Y428 HydrophobicContact CZ-CE2 4.05Å; F423-Y428 AromaticContact CZ-CG 3.85Å; F423-Y428 HydrophobicContact CZ-CG 3.85Å; A425-Y428 HydrophobicContact CB-CD2 4.07Å; S426-Y428 PolarHBondContact O-N 3.4Å; Y428-N434 WeakPolarHBondContact CB-OD1 3.26Å; Y428-N434 PolarHBondContact N-OD1 3.21Å
429	Y	87.7	Confident	93.9	Very high	52 Å²	52	15 Å²	15	20%	0.204	8%	0.076	C	C	.	.	S	Bend	trans	-85.6	-47.5	173.9	-54.7	-68.2	0	0	0	112.1	W70 Y73 E77 N427 S433	W70-Y429 HydrophobicContact CH2-CE2 4.33Å; W70-Y429 HydrophobicContact CZ3-CE2 4.18Å; Y73-Y429 AromaticContact CD1-CD1 3.96Å; Y73-Y429 HydrophobicContact CD1-CD1 3.96Å; Y73-Y429 HydrophobicContact CD1-CD2 4.36Å; Y73-Y429 AromaticContact CD1-CG 3.75Å; Y73-Y429 HydrophobicContact CD1-CG 3.75Å; Y73-Y429 AromaticContact CD2-CD2 3.84Å; Y73-Y429 HydrophobicContact CD2-CD2 3.84Å; Y73-Y429 AromaticContact CD2-CG 3.99Å; Y73-Y429 HydrophobicContact CD2-CG 3.99Å; Y73-Y429 HydrophobicContact CE1-CG 4.33Å; Y73-Y429 HydrophobicContact CG-CD1 4.01Å; Y73-Y429 AromaticContact CG-CD2 3.7Å; Y73-Y429 HydrophobicContact CG-CD2 3.7Å; Y73-Y429 HydrophobicContact CG-CE2 4.23Å; Y73-Y429 AromaticContact CG-CG 3.56Å; Y73-Y429 HydrophobicContact CG-CG 3.56Å; E77-Y429 HydrophobicContact CB-CE1 4.44Å; E77-Y429 WeakPolarHBondContact OE2-CE1 3.38Å; E77-Y429 PolarHBondContact OE2-OH 2.92Å; N427-Y429 VanDerWaalsContact C-N 3.31Å; N427-Y429 PolarHBondContact O-N 2.99Å; Y429-S433 PolarHBondContact N-OG 2.93Å
430	T	85.7	Confident	93.9	Very high	35 Å²	35	17.4 Å²	17.4	22%	0.215	9%	0.085	C	C	.	.	S	Bend	trans	-163.2	167.3	-178.4	-164.3	0	0	0	0	112	Y73 N427 G432 S433 A470	Y73-T430 HydrophobicContact CE2-CG2 4.27Å; Y73-T430 WeakPolarHBondContact OH-CG2 3.31Å; N427-T430 WeakPolarHBondContact CA-O 3.23Å; N427-T430 WeakPolarHBondContact CB-O 3.5Å; N427-T430 PolarHBondContact O-N 2.77Å; T430-G432 PolarHBondContact O-N 2.75Å; T430-S433 PolarHBondContact N-OG 3.06Å; T430-S433 VanDerWaalsContact O-CB 3.27Å; T430-S433 WeakPolarHBondContact O-CB 3.34Å; T430-S433 PolarHBondContact O-N 2.72Å; T430-S433 PolarHBondContact O-OG 3.35Å; T430-A470 HydrophobicContact CG2-CB 4.11Å
431	D	82.5	Confident	93.8	Very high	57 Å²	57	17.5 Å²	17.5	31%	0.305	9%	0.085	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.7	113	173.9	-94.2	16.3	0	0	0	111.4	K461	D431-K461 IonicContact OD2-NZ 2.78Å; D431-K461 PolarHBondContact OD2-NZ 2.83Å
432	G	80.9	Confident	93.7	Very high	23 Å²	23	19.1 Å²	19.1	24%	0.237	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	89.4	4.7	177.7	0	0	0	0	0	115.8	N427 T430	N427-G432 PolarHBondContact OD1-N 2.97Å; T430-G432 PolarHBondContact O-N 2.75Å
433	S	85.5	Confident	93.4	Very high	7 Å²	7	23.1 Å²	23.1	5%	0.049	12%	0.121	C	C	.	.	S	Bend	trans	-67.1	-54.3	177.8	53.1	0	0	0	0	112.9	N427 Y429 T430	N427-S433 WeakPolarHBondContact CA-OG 3.48Å; Y429-S433 PolarHBondContact N-OG 2.93Å; T430-S433 PolarHBondContact N-OG 3.06Å; T430-S433 VanDerWaalsContact O-CB 3.27Å; T430-S433 WeakPolarHBondContact O-CB 3.34Å; T430-S433 PolarHBondContact O-N 2.72Å; T430-S433 PolarHBondContact O-OG 3.35Å
434	N	91.8	Very high	93.1	Very high	3 Å²	3	29.1 Å²	29.1	2%	0.016	15%	0.153	C	C	.	.			trans	-142	166.1	176.7	69.5	-52	0	0	0	113.2	W70 K407 P408 A425 N427 Y428	W70-N434 HydrophobicContact CH2-CB 4.13Å; W70-N434 HydrophobicContact CZ3-CB 3.87Å; K407-N434 WeakPolarHBondContact O-CB 3.38Å; P408-N434 VanDerWaalsContact O-CA 3.3Å; P408-N434 WeakPolarHBondContact O-CA 3.45Å; A425-N434 PolarHBondContact O-ND2 3.47Å; N427-N434 WeakPolarHBondContact CA-OD1 3.36Å; N427-N434 PolarHBondContact N-O 3.09Å; N427-N434 PolarHBondContact N-OD1 2.88Å; N427-N434 VanDerWaalsContact N-OD1 3.1Å; Y428-N434 WeakPolarHBondContact CB-OD1 3.26Å; Y428-N434 PolarHBondContact N-OD1 3.21Å
435	R	94.4	Very high	92.8	Very high	84 Å²	84	31.1 Å²	31.1	32%	0.317	17%	0.173	S	C	.	.			trans	-91.9	154.2	164.4	-52.7	-179.7	74	-172	-3.2	109.8	P408 E409 G410 Q451 V453	P408-R435 PolarHBondContact O-N 3.43Å; E409-R435 WeakPolarHBondContact OE2-CD 3.47Å; E409-R435 IonicContact OE2-NH1 2.66Å; G410-R435 WeakPolarHBondContact CA-O 3.28Å; G410-R435 PolarHBondContact N-O 2.78Å; R435-Q451 VanDerWaalsContact CZ-CB 3.49Å; R435-V453 HydrophobicContact CB-CG2 4.03Å; R435-V453 HydrophobicContact CG-CG2 3.69Å
436	G	97.5	Very high	92.7	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	150.1	164.7	0	0	0	0	0	109.5	Q451 Y452	G436-Q451 CarbonylContact O-C 3.58Å; G436-Q451 WeakPolarHBondContact O-CA 3.36Å; G436-Y452 PolarHBondContact N-O 2.83Å; G436-Y452 PolarHBondContact O-N 3Å
437	A	98.6	Very high	92.9	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	158.1	173.5	0	0	0	0	0	112.4	G410 F411 I422 F423 S424 I449 I450 Q451	G410-A437 WeakPolarHBondContact O-CB 3.08Å; F411-A437 HydrophobicContact CB-CB 4.36Å; F411-A437 HydrophobicContact CD1-CB 4.42Å; I422-A437 WeakPolarHBondContact CG2-O 3.5Å; F423-A437 PolarHBondContact O-N 3.38Å; S424-A437 PolarHBondContact OG-O 3.41Å; A437-I449 HydrophobicContact CB-CG2 3.96Å; A437-I450 VanDerWaalsContact CA-O 3.31Å; A437-I450 WeakPolarHBondContact CA-O 3.37Å; A437-Q451 HydrophobicContact CB-CG 4.23Å
438	I	98.7	Very high	93.2	Very high	2 Å²	2	39.5 Å²	39.5	1%	0.01	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	152.9	167.8	60.5	-176.3	0	0	0	109	T200 V201 V202 I215 N219 I450 Y452	T200-I438 HydrophobicContact CG2-CB 4.02Å; T200-I438 HydrophobicContact CG2-CD1 3.95Å; T200-I438 HydrophobicContact CG2-CG1 4.25Å; V201-I438 WeakPolarHBondContact O-CA 3.48Å; V202-I438 HydrophobicContact CB-CG2 4.42Å; V202-I438 HydrophobicContact CG1-CG2 4.34Å; V202-I438 HydrophobicContact CG2-CG2 3.98Å; I215-I438 HydrophobicContact CD1-CG2 3.88Å; I215-I438 HydrophobicContact CG1-CG2 3.81Å; I215-I438 HydrophobicContact CG2-CD1 4.1Å; I215-I438 HydrophobicContact CG2-CG2 4.15Å; N219-I438 HydrophobicContact CB-CD1 3.84Å; I438-I450 HydrophobicContact CD1-CB 4.22Å; I438-I450 HydrophobicContact CD1-CD1 4.28Å; I438-I450 HydrophobicContact CG1-CB 3.76Å; I438-I450 HydrophobicContact CG1-CD1 4.43Å; I438-I450 HydrophobicContact CG1-CG1 4.49Å; I438-I450 HydrophobicContact CG1-CG2 4.48Å; I438-I450 PolarHBondContact N-O 2.76Å; I438-I450 PolarHBondContact O-N 3.36Å; I438-Y452 HydrophobicContact CG2-CE1 4.29Å
439	A	98.6	Very high	93.4	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	116.4	176.3	0	0	0	0	0	110.3	T200 V201 L420 I422 I447 I449	T200-A439 CarbonylContact C-O 2.99Å; T200-A439 WeakPolarHBondContact CA-O 3.37Å; V201-A439 HydrophobicContact CB-CB 4.43Å; V201-A439 PolarHBondContact N-O 3.37Å; V201-A439 PolarHBondContact O-N 2.98Å; L420-A439 HydrophobicContact CD2-CB 4.14Å; I422-A439 HydrophobicContact CD1-CB 3.77Å; I422-A439 HydrophobicContact CG1-CB 3.9Å; A439-I447 HydrophobicContact CB-CG2 4.04Å; A439-I449 HydrophobicContact CB-CD1 3.93Å
440	R	97.9	Very high	93.9	Very high	50 Å²	50	39.7 Å²	39.7	19%	0.189	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	119	173.1	-176.8	-171.8	-73.5	-173.1	2.1	108.9	Q198 N219 I447 Q448 I450	Q198-R440 HydrophobicContact CB-CG 4.27Å; Q198-R440 VanDerWaalsContact OE1-CD 3.26Å; N219-R440 VanDerWaalsContact OD1-CZ 3.28Å; N219-R440 PolarHBondContact OD1-NE 3.25Å; N219-R440 VanDerWaalsContact OD1-NE 3.12Å; N219-R440 PolarHBondContact OD1-NH2 3.49Å; R440-I447 WeakPolarHBondContact O-CA 3.36Å; R440-Q448 HydrophobicContact CB-CB 4.42Å; R440-Q448 PolarHBondContact N-O 3.37Å; R440-Q448 PolarHBondContact O-N 3Å; R440-I450 HydrophobicContact CB-CD1 4.41Å
441	I	98.1	Very high	94.4	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.005	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	128.7	-176	-55.7	163.5	0	0	0	107.6	Q198 I199 V201 I309 I313 I401 S446 I447	Q198-I441 CarbonylContact C-O 3.58Å; Q198-I441 WeakPolarHBondContact CA-O 3.49Å; Q198-I441 WeakPolarHBondContact CB-O 3.33Å; I199-I441 HydrophobicContact CG2-CB 3.94Å; I199-I441 HydrophobicContact CG2-CD1 4.14Å; I199-I441 PolarHBondContact N-O 3.22Å; I199-I441 PolarHBondContact O-N 3.18Å; V201-I441 HydrophobicContact CG2-CD1 3.83Å; I309-I441 HydrophobicContact CD1-CD1 3.6Å; I313-I441 HydrophobicContact CD1-CD1 4.15Å; I313-I441 HydrophobicContact CD1-CG2 3.63Å; I401-I441 HydrophobicContact CD1-CD1 3.7Å; I401-I441 HydrophobicContact CD1-CG1 4.47Å; I441-S446 WeakPolarHBondContact CA-O 3.48Å; I441-I447 HydrophobicContact CG1-CD1 4.24Å; I441-I447 HydrophobicContact CG1-CG1 4.08Å
442	S	95.8	Very high	95.1	Very high	35 Å²	35	39 Å²	39	25%	0.245	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	169	176.2	-67.1	0	0	0	0	112.2	R197 D444 G445 S446	R197-S442 WeakPolarHBondContact O-CA 3.11Å; S442-D444 WeakPolarHBondContact CB-OD1 3.21Å; S442-D444 PolarHBondContact O-N 2.79Å; S442-G445 WeakPolarHBondContact O-CA 3.41Å; S442-G445 PolarHBondContact O-N 2.73Å; S442-S446 PolarHBondContact N-O 3.43Å
443	V	93.4	Very high	95.6	Very high	84 Å²	84	40.6 Å²	40.6	51%	0.509	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-33.1	-178.8	-169	0	0	0	0	114.1	T193 R197 G445	T193-V443 WeakPolarHBondContact OG1-CA 3.46Å; R197-V443 HydrophobicContact CB-CG2 4.02Å; R197-V443 HydrophobicContact CG-CG2 4.48Å; R197-V443 VanDerWaalsContact O-CG2 3.31Å; R197-V443 WeakPolarHBondContact O-CG2 3.28Å; R197-V443 PolarHBondContact O-N 3.07Å; V443-G445 PolarHBondContact O-N 2.92Å
444	D	92.7	Very high	95.7	Very high	129 Å²	129	41 Å²	41	69%	0.69	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.5	2.8	178.3	66.7	-12.7	0	0	0	113.3	S442 S446	S442-D444 WeakPolarHBondContact CB-OD1 3.21Å; S442-D444 PolarHBondContact O-N 2.79Å; D444-S446 PolarHBondContact O-N 3.05Å; D444-S446 WeakPolarHBondContact OD1-CB 3.4Å; D444-S446 PolarHBondContact OD1-N 3.3Å; D444-S446 PolarHBondContact OD1-OG 2.75Å; D444-S446 PolarHBondContact OD2-OG 3.39Å
445	G	92.2	Very high	94.8	Very high	41 Å²	41	44.2 Å²	44.2	42%	0.423	26%	0.257	S	S	.	.	S	Bend	trans	78.2	3.7	-175.1	0	0	0	0	0	113.9	S442 V443	S442-G445 WeakPolarHBondContact O-CA 3.41Å; S442-G445 PolarHBondContact O-N 2.73Å; V443-G445 PolarHBondContact O-N 2.92Å
446	S	95.7	Very high	93.1	Very high	55 Å²	55	44 Å²	44	39%	0.385	28%	0.281	S	S	.	.			trans	-68.6	143.3	175.5	68.4	0	0	0	0	111.1	I441 S442 D444	I441-S446 WeakPolarHBondContact CA-O 3.48Å; S442-S446 PolarHBondContact N-O 3.43Å; D444-S446 PolarHBondContact O-N 3.05Å; D444-S446 WeakPolarHBondContact OD1-CB 3.4Å; D444-S446 PolarHBondContact OD1-N 3.3Å; D444-S446 PolarHBondContact OD1-OG 2.75Å; D444-S446 PolarHBondContact OD2-OG 3.39Å
447	I	98	Very high	91	Very high	38 Å²	38	49.7 Å²	49.7	20%	0.195	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	117	-174.9	-61.2	-174.4	0	0	0	110.2	L399 I401 W413 L420 A439 R440 I441 I449	L399-I447 HydrophobicContact CD2-CD1 3.13Å; I401-I447 HydrophobicContact CD1-CD1 4.28Å; W413-I447 HydrophobicContact CH2-CD1 4.04Å; W413-I447 HydrophobicContact CZ2-CB 4.39Å; W413-I447 HydrophobicContact CZ2-CG2 4.39Å; L420-I447 HydrophobicContact CD2-CD1 4.19Å; L420-I447 HydrophobicContact CD2-CG2 4Å; A439-I447 HydrophobicContact CB-CG2 4.04Å; R440-I447 WeakPolarHBondContact O-CA 3.36Å; I441-I447 HydrophobicContact CG1-CD1 4.24Å; I441-I447 HydrophobicContact CG1-CG1 4.08Å; I447-I449 HydrophobicContact CG2-CD1 3.71Å; I447-I449 HydrophobicContact CG2-CG1 4.49Å
448	Q	97.7	Very high	88.8	Confident	107 Å²	107	60.2 Å²	60.2	50%	0.5	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	116.6	170.8	-174.9	-178.7	23.8	0	0	109.8	R440 I450	R440-Q448 HydrophobicContact CB-CB 4.42Å; R440-Q448 PolarHBondContact N-O 3.37Å; R440-Q448 PolarHBondContact O-N 3Å; Q448-I450 HydrophobicContact CG-CG1 4.36Å
449	I	98.4	Very high	86.8	Confident	39 Å²	39	68.5 Å²	68.5	20%	0.2	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	125.1	173.3	-53.4	-59.8	0	0	0	109.9	F411 L420 I422 A437 A439 I447 Q451	F411-I449 HydrophobicContact CB-CG2 4.25Å; F411-I449 HydrophobicContact CD1-CG2 3.54Å; F411-I449 HydrophobicContact CD2-CD1 4.41Å; F411-I449 HydrophobicContact CD2-CG1 3.99Å; F411-I449 HydrophobicContact CD2-CG2 4.23Å; F411-I449 HydrophobicContact CE1-CG2 3.84Å; F411-I449 HydrophobicContact CE2-CG1 4.11Å; F411-I449 HydrophobicContact CE2-CG2 4.49Å; F411-I449 HydrophobicContact CG-CG1 4.33Å; F411-I449 HydrophobicContact CG-CG2 3.74Å; F411-I449 HydrophobicContact CZ-CG2 4.31Å; L420-I449 HydrophobicContact CD1-CD1 4.24Å; L420-I449 HydrophobicContact CD2-CD1 4.03Å; I422-I449 HydrophobicContact CD1-CD1 3.84Å; A437-I449 HydrophobicContact CB-CG2 3.96Å; A439-I449 HydrophobicContact CB-CD1 3.93Å; I447-I449 HydrophobicContact CG2-CD1 3.71Å; I447-I449 HydrophobicContact CG2-CG1 4.49Å; I449-Q451 HydrophobicContact CG2-CG 4.13Å
450	I	97.8	Very high	85.1	Confident	43 Å²	43	78.6 Å²	78.6	22%	0.221	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	108.9	177.5	-55.3	171.3	0	0	0	108.2	N219 A437 I438 R440 Q448	N219-I450 WeakPolarHBondContact OD1-CD1 3.04Å; A437-I450 VanDerWaalsContact CA-O 3.31Å; A437-I450 WeakPolarHBondContact CA-O 3.37Å; I438-I450 HydrophobicContact CD1-CB 4.22Å; I438-I450 HydrophobicContact CD1-CD1 4.28Å; I438-I450 HydrophobicContact CG1-CB 3.76Å; I438-I450 HydrophobicContact CG1-CD1 4.43Å; I438-I450 HydrophobicContact CG1-CG1 4.49Å; I438-I450 HydrophobicContact CG1-CG2 4.48Å; I438-I450 PolarHBondContact N-O 2.76Å; I438-I450 PolarHBondContact O-N 3.36Å; R440-I450 HydrophobicContact CB-CD1 4.41Å; Q448-I450 HydrophobicContact CG-CG1 4.36Å
451	Q	97	Very high	83.7	Confident	58 Å²	58	77.9 Å²	77.9	27%	0.271	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	141.3	-179.4	-57.6	176.5	-76.1	0	0	111.8	E409 F411 R435 G436 A437 I449	E409-Q451 PolarHBondContact O-NE2 3.31Å; E409-Q451 PolarHBondContact OE2-NE2 3.42Å; F411-Q451 HydrophobicContact CD1-CG 4.27Å; F411-Q451 HydrophobicContact CE1-CG 4.11Å; R435-Q451 VanDerWaalsContact CZ-CB 3.49Å; G436-Q451 CarbonylContact O-C 3.58Å; G436-Q451 WeakPolarHBondContact O-CA 3.36Å; A437-Q451 HydrophobicContact CB-CG 4.23Å; I449-Q451 HydrophobicContact CG2-CG 4.13Å
452	Y	95.5	Very high	82.8	Confident	21 Å²	21	81.6 Å²	81.6	8%	0.082	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	170.3	175.9	61	-89.4	0	0	0	111.5	D211 I214 I215 S424 G436 I438	D211-Y452 HydrophobicContact CB-CE2 3.84Å; D211-Y452 WeakPolarHBondContact OD1-CE2 3.45Å; I214-Y452 HydrophobicContact CB-CD2 4.48Å; I214-Y452 HydrophobicContact CG2-CD2 3.92Å; I214-Y452 HydrophobicContact CG2-CG 3.94Å; I215-Y452 HydrophobicContact CD1-CE1 4.21Å; I215-Y452 WeakPolarHBondContact CD1-OH 3.35Å; I215-Y452 HydrophobicContact CG1-CE1 3.59Å; I215-Y452 VanDerWaalsContact CG1-OH 3.3Å; I215-Y452 WeakPolarHBondContact CG1-OH 3.25Å; S424-Y452 WeakPolarHBondContact CB-OH 3.49Å; S424-Y452 PolarHBondContact O-OH 3.4Å; G436-Y452 PolarHBondContact N-O 2.83Å; G436-Y452 PolarHBondContact O-N 3Å; I438-Y452 HydrophobicContact CG2-CE1 4.29Å
453	V	92.1	Very high	81.9	Confident	56 Å²	56	84.9 Å²	84.9	34%	0.339	47%	0.469	S	S	.	.			trans	-140.4	124.8	171.2	178.7	0	0	0	0	106.1	N427 R435	N427-V453 WeakPolarHBondContact ND2-CG1 3.46Å; R435-V453 HydrophobicContact CB-CG2 4.03Å; R435-V453 HydrophobicContact CG-CG2 3.69Å
454	T	88.3	Confident	81.3	Confident	15 Å²	15	88.4 Å²	88.4	9%	0.092	47%	0.473	C	S	.	.			trans	-76.8	142.3	166.8	50.3	0	0	0	0	109.2	S210 D211 I214 S426 N427	S210-T454 WeakPolarHBondContact O-CG2 3.29Å; D211-T454 HydrophobicContact CB-CG2 4.34Å; D211-T454 WeakPolarHBondContact OD1-CB 3.31Å; D211-T454 WeakPolarHBondContact OD1-CG2 3.47Å; D211-T454 PolarHBondContact OD1-OG1 3.19Å; I214-T454 HydrophobicContact CB-CG2 4.32Å; I214-T454 HydrophobicContact CD1-CG2 3.33Å; I214-T454 HydrophobicContact CG1-CG2 3.81Å; S426-T454 PolarHBondContact OG-N 2.87Å; S426-T454 PolarHBondContact OG-OG1 2.99Å; N427-T454 PolarHBondContact ND2-O 3.31Å
455	G	71.6	Confident	80.9	Confident	70 Å²	70	86.8 Å²	86.8	72%	0.722	46%	0.461	S	S	*	.			trans	-133.9	125.2	178.4	0	0	0	0	0	110.1
456	G	59.2	Low	80.4	Confident	79 Å²	79	88.4 Å²	88.4	81%	0.814	46%	0.457	S	S	*	.			trans	-83.2	-8.1	174.6	0	0	0	0	0	114.3
457	Q	53	Low	79.8	Confident	120 Å²	120	86.2 Å²	86.2	56%	0.561	44%	0.441	S	S	*	.			trans	-111.4	132	-165.7	-63.6	-148.1	-12.8	0	0	114.7	K459	Q457-K459 PolarHBondContact O-N 2.89Å
458	K	52.2	Low	79.1	Confident	221 Å²	221	86.8 Å²	86.8	96%	0.961	45%	0.448	S	S	*	.	S	Bend	trans	-59.3	-14	179.4	-67.3	-177.9	176	-179.6	0	115.1
459	K	58.4	Low	78.4	Confident	176 Å²	176	86.8 Å²	86.8	77%	0.765	44%	0.443	S	S	*	.	S	Bend	trans	-112.6	122.7	-179.5	-70.2	-170.6	178.9	-178.1	0	110.8	Q457 K461	Q457-K459 PolarHBondContact O-N 2.89Å; K459-K461 WeakPolarHBondContact O-CG 3.47Å; K459-K461 PolarHBondContact O-N 3.1Å
460	F	61.7	Low	77.7	Confident	213 Å²	213	85.2 Å²	85.2	93%	0.934	44%	0.437	S	S	*	.	P	Polyproline II helix	trans	-60.8	118.7	169.1	-74.8	-83.6	0	0	0	109.8
461	K	69.7	Low	77.2	Confident	35 Å²	35	84 Å²	84	15%	0.152	43%	0.43	C	S	.	.	P	Polyproline II helix	trans	-93.4	134.5	177.8	-52.1	-179.4	-172.8	162.3	0	109.2	D431 K459 Q465 K466 W469	D431-K461 IonicContact OD2-NZ 2.78Å; D431-K461 PolarHBondContact OD2-NZ 2.83Å; K459-K461 WeakPolarHBondContact O-CG 3.47Å; K459-K461 PolarHBondContact O-N 3.1Å; K461-Q465 HydrophobicContact CB-CB 4.28Å; K461-K466 HydrophobicContact CB-CG 4.04Å; K461-K466 WeakPolarHBondContact O-CE 3.48Å; K461-W469 HydrophobicContact CD-CE3 3.99Å; K461-W469 HydrophobicContact CD-CH2 3.41Å; K461-W469 VanDerWaalsContact CD-CH2 3.41Å; K461-W469 HydrophobicContact CD-CZ3 3.02Å; K461-W469 HydrophobicContact CG-CZ3 4.41Å
462	T	78.9	Confident	76.8	Confident	78 Å²	78	86.4 Å²	86.4	48%	0.479	44%	0.441	S	S	.	.	P	Polyproline II helix	trans	-63	155.2	173.7	63.4	0	0	0	0	110.6	R464 Q465 K466	T462-R464 PolarHBondContact O-N 2.97Å; T462-Q465 PolarHBondContact O-N 3.38Å; T462-Q465 WeakPolarHBondContact OG1-CG 3.44Å; T462-Q465 PolarHBondContact OG1-N 2.66Å; T462-Q465 PolarHBondContact OG1-OE1 3Å; T462-K466 PolarHBondContact O-N 3.34Å; T462-K466 VanDerWaalsContact O-N 3.08Å
463	L	76.1	Confident	76.3	Confident	104 Å²	104	86.9 Å²	86.9	55%	0.545	45%	0.448	S	S	.	.	H	α-helix	trans	-53.1	-39.2	175.7	179.9	62.7	0	0	0	112	Q465 K466 V467	L463-Q465 PolarHBondContact O-N 2.84Å; L463-K466 PolarHBondContact O-N 3.07Å; L463-V467 HydrophobicContact CD1-CG2 4.14Å; L463-V467 HydrophobicContact CG-CG2 4.4Å; L463-V467 WeakPolarHBondContact O-CG2 3.03Å; L463-V467 PolarHBondContact O-N 3.45Å
464	R	82	Confident	76.1	Confident	158 Å²	158	84.2 Å²	84.2	60%	0.596	43%	0.432	S	S	*	.	H	α-helix	trans	-57.5	-47.1	175.6	-177.1	-168.7	177.4	178.6	-4.5	112.1	Y58 L62 T462 S468	Y58-R464 WeakPolarHBondContact OH-CB 3.42Å; Y58-R464 VanDerWaalsContact OH-CD 3.26Å; Y58-R464 WeakPolarHBondContact OH-CD 3.43Å; Y58-R464 WeakPolarHBondContact OH-CG 3.33Å; L62-R464 HydrophobicContact CD2-CG 4.27Å; T462-R464 PolarHBondContact O-N 2.97Å; R464-S468 VanDerWaalsContact O-CB 3.27Å; R464-S468 WeakPolarHBondContact O-CB 3.4Å; R464-S468 PolarHBondContact O-N 3.25Å
465	Q	84	Confident	76.2	Confident	95 Å²	95	83.9 Å²	83.9	44%	0.444	43%	0.429	S	S	.	.	H	α-helix	trans	-65.7	-43.2	-179	-74.2	164.5	-44	0	0	111	K461 T462 L463 S468 W469	K461-Q465 HydrophobicContact CB-CB 4.28Å; T462-Q465 PolarHBondContact O-N 3.38Å; T462-Q465 WeakPolarHBondContact OG1-CG 3.44Å; T462-Q465 PolarHBondContact OG1-N 2.66Å; T462-Q465 PolarHBondContact OG1-OE1 3Å; L463-Q465 PolarHBondContact O-N 2.84Å; Q465-S468 PolarHBondContact O-N 3.29Å; Q465-W469 PolarHBondContact O-N 3.41Å
466	K	80.2	Confident	77	Confident	76 Å²	76	82.6 Å²	82.6	33%	0.33	41%	0.407	S	S	.	.	H	α-helix	trans	-58.7	-52.8	176	-67.7	-176.2	-179.4	-173	0	111.8	K461 T462 L463 S468 W469 A470	K461-K466 HydrophobicContact CB-CG 4.04Å; K461-K466 WeakPolarHBondContact O-CE 3.48Å; T462-K466 PolarHBondContact O-N 3.34Å; T462-K466 VanDerWaalsContact O-N 3.08Å; L463-K466 PolarHBondContact O-N 3.07Å; K466-S468 VanDerWaalsContact C-N 3.31Å; K466-S468 PolarHBondContact O-N 3.48Å; K466-W469 PolarHBondContact O-N 2.87Å; K466-A470 WeakPolarHBondContact O-CB 3.46Å; K466-A470 PolarHBondContact O-N 3.17Å
467	V	83.2	Confident	78.2	Confident	8 Å²	8	81.9 Å²	81.9	5%	0.048	39%	0.385	C	S	.	.	H	α-helix	trans	-60.6	-41.7	178.5	171.9	0	0	0	0	111.3	L62 K65 R66 L463 W469 A470 E471	L62-V467 HydrophobicContact CD2-CB 4.5Å; L62-V467 HydrophobicContact CD2-CG1 4.31Å; K65-V467 HydrophobicContact CB-CG1 3.82Å; R66-V467 HydrophobicContact CB-CG1 4.25Å; R66-V467 HydrophobicContact CB-CG2 4.39Å; L463-V467 HydrophobicContact CD1-CG2 4.14Å; L463-V467 HydrophobicContact CG-CG2 4.4Å; L463-V467 WeakPolarHBondContact O-CG2 3.03Å; L463-V467 PolarHBondContact O-N 3.45Å; V467-W469 VanDerWaalsContact C-N 3.34Å; V467-W469 PolarHBondContact O-N 3.27Å; V467-A470 PolarHBondContact O-N 2.7Å; V467-E471 WeakPolarHBondContact O-CB 3.32Å; V467-E471 PolarHBondContact O-N 2.55Å
468	S	84.7	Confident	79.9	Confident	50 Å²	50	76.2 Å²	76.2	35%	0.35	36%	0.358	S	S	.	.	H	α-helix	trans	-64.7	-37.3	-178.8	-167.3	0	0	0	0	112.8	R464 Q465 K466 E472	R464-S468 VanDerWaalsContact O-CB 3.27Å; R464-S468 WeakPolarHBondContact O-CB 3.4Å; R464-S468 PolarHBondContact O-N 3.25Å; Q465-S468 PolarHBondContact O-N 3.29Å; K466-S468 VanDerWaalsContact C-N 3.31Å; K466-S468 PolarHBondContact O-N 3.48Å; S468-E472 WeakPolarHBondContact O-CB 3.3Å; S468-E472 PolarHBondContact O-N 2.76Å
469	W	82.2	Confident	81.7	Confident	107 Å²	107	67.9 Å²	67.9	41%	0.405	32%	0.322	S	S	.	.	H	α-helix	trans	-79.1	-37	177.2	-74.6	-29	0	0	0	113.5	K461 Q465 K466 V467 E471 E472 S473	K461-W469 HydrophobicContact CD-CE3 3.99Å; K461-W469 HydrophobicContact CD-CH2 3.41Å; K461-W469 VanDerWaalsContact CD-CH2 3.41Å; K461-W469 HydrophobicContact CD-CZ3 3.02Å; K461-W469 HydrophobicContact CG-CZ3 4.41Å; Q465-W469 PolarHBondContact O-N 3.41Å; K466-W469 PolarHBondContact O-N 2.87Å; V467-W469 VanDerWaalsContact C-N 3.34Å; V467-W469 PolarHBondContact O-N 3.27Å; W469-E471 PolarHBondContact O-N 3.21Å; W469-E472 PolarHBondContact O-N 3.43Å; W469-E472 VanDerWaalsContact O-N 3.16Å; W469-S473 WeakPolarHBondContact O-CB 3.34Å; W469-S473 PolarHBondContact O-N 2.8Å
470	A	84	Confident	82.9	Confident	7 Å²	7	63.1 Å²	63.1	6%	0.058	31%	0.305	C	S	.	.	H	α-helix	trans	-57.5	-42.2	170.9	0	0	0	0	0	110.3	Y73 T430 K466 V467 A474	Y73-A470 PolarHBondContact OH-O 2.87Å; T430-A470 HydrophobicContact CG2-CB 4.11Å; K466-A470 WeakPolarHBondContact O-CB 3.46Å; K466-A470 PolarHBondContact O-N 3.17Å; V467-A470 PolarHBondContact O-N 2.7Å; A470-A474 WeakPolarHBondContact O-CB 3.45Å; A470-A474 PolarHBondContact O-N 3.04Å
471	E	88.3	Confident	84	Confident	16 Å²	16	55.6 Å²	55.6	8%	0.075	27%	0.272	C	S	.	.	H	α-helix	trans	-62.1	-45.7	172.7	-177.2	-172	-169.6	0	0	112.5	K65 A69 V467 W469 L475 R529	K65-E471 WeakPolarHBondContact CD-OE2 3.23Å; K65-E471 WeakPolarHBondContact CE-OE2 3.2Å; K65-E471 IonicContact NZ-OE1 3.57Å; K65-E471 PolarHBondContact NZ-OE1 2.63Å; K65-E471 IonicContact NZ-OE2 3.24Å; K65-E471 PolarHBondContact NZ-OE2 3.22Å; A69-E471 HydrophobicContact CB-CB 4.41Å; V467-E471 WeakPolarHBondContact O-CB 3.32Å; V467-E471 PolarHBondContact O-N 2.55Å; W469-E471 PolarHBondContact O-N 3.21Å; E471-L475 HydrophobicContact CG-CD1 4Å; E471-L475 WeakPolarHBondContact O-CB 3.38Å; E471-L475 VanDerWaalsContact O-CG 3.23Å; E471-L475 WeakPolarHBondContact O-CG 2.92Å; E471-L475 PolarHBondContact O-N 3.03Å; E471-R529 IonicContact OE1-NE 3.84Å
472	E	87	Confident	84.9	Confident	109 Å²	109	54 Å²	54	51%	0.509	27%	0.265	S	S	.	.	H	α-helix	trans	-67.4	-41.9	-178.3	-173.9	168	-154.9	0	0	112.9	S468 W469 L475 T476	S468-E472 WeakPolarHBondContact O-CB 3.3Å; S468-E472 PolarHBondContact O-N 2.76Å; W469-E472 PolarHBondContact O-N 3.43Å; W469-E472 VanDerWaalsContact O-N 3.16Å; E472-L475 PolarHBondContact O-N 3.45Å; E472-T476 WeakPolarHBondContact O-CB 3.44Å; E472-T476 PolarHBondContact O-N 2.92Å; E472-T476 PolarHBondContact O-OG1 2.86Å
473	S	85.4	Confident	85.2	Confident	32 Å²	32	51.6 Å²	51.6	22%	0.224	25%	0.253	C	S	.	.	H	α-helix	trans	-65.4	-47.5	175.1	170.9	0	0	0	0	110.7	Y73 W469 L475 T476 D477	Y73-S473 WeakPolarHBondContact OH-CB 3.31Å; Y73-S473 PolarHBondContact OH-OG 3.15Å; W469-S473 WeakPolarHBondContact O-CB 3.34Å; W469-S473 PolarHBondContact O-N 2.8Å; S473-L475 VanDerWaalsContact C-N 3.32Å; S473-L475 PolarHBondContact O-N 2.86Å; S473-T476 WeakPolarHBondContact O-CA 3.35Å; S473-T476 VanDerWaalsContact O-CB 3.32Å; S473-T476 WeakPolarHBondContact O-CB 3.47Å; S473-T476 PolarHBondContact O-N 2.88Å; S473-D477 PolarHBondContact O-N 2.89Å
474	A	88.9	Confident	85.3	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-57.1	-45.8	175.4	0	0	0	0	0	111.9	A69 I72 Y73 A470 T476 D477 L478	A69-A474 HydrophobicContact CB-CB 4.01Å; I72-A474 HydrophobicContact CB-CB 4.06Å; I72-A474 HydrophobicContact CD1-CB 4.14Å; I72-A474 HydrophobicContact CG2-CB 4.03Å; I72-A474 WeakPolarHBondContact CG2-O 3.14Å; Y73-A474 HydrophobicContact CD1-CB 4.48Å; Y73-A474 HydrophobicContact CD2-CB 4.15Å; Y73-A474 HydrophobicContact CE1-CB 4.07Å; Y73-A474 HydrophobicContact CE2-CB 3.72Å; Y73-A474 PolarHBondContact OH-N 2.77Å; Y73-A474 VanDerWaalsContact OH-N 3.1Å; A470-A474 WeakPolarHBondContact O-CB 3.45Å; A470-A474 PolarHBondContact O-N 3.04Å; A474-T476 PolarHBondContact O-N 2.79Å; A474-D477 PolarHBondContact O-N 2.78Å; A474-L478 WeakPolarHBondContact O-CB 3.15Å; A474-L478 PolarHBondContact O-N 3.05Å
475	L	89.7	Confident	85.5	Confident	8 Å²	8	41.5 Å²	41.5	4%	0.042	21%	0.21	C	C	.	.	H	α-helix	trans	-64.5	-29	176.2	-74.9	170.7	0	0	0	112.6	I72 E471 E472 S473 K479 L526 R529 L530	I72-L475 HydrophobicContact CD1-CD2 4.13Å; E471-L475 HydrophobicContact CG-CD1 4Å; E471-L475 WeakPolarHBondContact O-CB 3.38Å; E471-L475 VanDerWaalsContact O-CG 3.23Å; E471-L475 WeakPolarHBondContact O-CG 2.92Å; E471-L475 PolarHBondContact O-N 3.03Å; E472-L475 PolarHBondContact O-N 3.45Å; S473-L475 VanDerWaalsContact C-N 3.32Å; S473-L475 PolarHBondContact O-N 2.86Å; L475-K479 WeakPolarHBondContact O-CB 3.4Å; L475-K479 WeakPolarHBondContact O-CD 3.27Å; L475-K479 WeakPolarHBondContact O-CG 3.34Å; L475-K479 PolarHBondContact O-N 2.84Å; L475-L526 HydrophobicContact CD2-CD2 4.5Å; L475-R529 HydrophobicContact CD1-CB 3.98Å; L475-R529 HydrophobicContact CD1-CG 4.27Å; L475-R529 HydrophobicContact CD2-CB 4.07Å; L475-L530 HydrophobicContact CD2-CD2 4.09Å
476	T	87.2	Confident	85.6	Confident	43 Å²	43	37.3 Å²	37.3	26%	0.264	19%	0.191	S	C	.	.	H	α-helix	trans	-70.6	-44.9	176.2	-59.6	0	0	0	0	110.4	E472 S473 A474 K479 N480	E472-T476 WeakPolarHBondContact O-CB 3.44Å; E472-T476 PolarHBondContact O-N 2.92Å; E472-T476 PolarHBondContact O-OG1 2.86Å; S473-T476 WeakPolarHBondContact O-CA 3.35Å; S473-T476 VanDerWaalsContact O-CB 3.32Å; S473-T476 WeakPolarHBondContact O-CB 3.47Å; S473-T476 PolarHBondContact O-N 2.88Å; A474-T476 PolarHBondContact O-N 2.79Å; T476-K479 WeakPolarHBondContact O-CB 3.5Å; T476-K479 PolarHBondContact O-N 2.83Å; T476-N480 VanDerWaalsContact O-CG 3.25Å; T476-N480 PolarHBondContact O-N 3.4Å; T476-N480 PolarHBondContact O-ND2 2.79Å
477	D	85	Confident	85.9	Confident	64 Å²	64	36.9 Å²	36.9	34%	0.342	20%	0.195	S	C	.	.	H	α-helix	trans	-64.6	-43.9	177.6	-60	-19	0	0	0	111.2	Y73 L76 S473 A474 K479 N480 K481	Y73-D477 WeakPolarHBondContact CE1-OD2 3.37Å; L76-D477 HydrophobicContact CD1-CB 3.75Å; S473-D477 PolarHBondContact O-N 2.89Å; A474-D477 PolarHBondContact O-N 2.78Å; D477-K479 VanDerWaalsContact C-N 3.31Å; D477-K479 PolarHBondContact O-N 3.36Å; D477-N480 PolarHBondContact O-N 2.93Å; D477-K481 PolarHBondContact O-N 3.28Å
478	L	90.2	Very high	86.2	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-61.2	-41.1	174	-179	59.6	0	0	0	111.7	I72 A474 K481 I482 L519 L521 W523 L526 L530	I72-L478 HydrophobicContact CD1-CD2 4.01Å; I72-L478 HydrophobicContact CG1-CD2 4.16Å; I72-L478 HydrophobicContact CG2-CB 3.89Å; A474-L478 WeakPolarHBondContact O-CB 3.15Å; A474-L478 PolarHBondContact O-N 3.05Å; L478-K481 WeakPolarHBondContact O-CB 3.34Å; L478-K481 PolarHBondContact O-N 2.88Å; L478-I482 HydrophobicContact CD1-CD1 4.48Å; L478-I482 HydrophobicContact CG-CD1 3.99Å; L478-I482 HydrophobicContact CG-CG1 4.49Å; L478-I482 VanDerWaalsContact O-CG1 3.25Å; L478-I482 WeakPolarHBondContact O-CG1 3.43Å; L478-I482 PolarHBondContact O-N 3.33Å; L478-L519 HydrophobicContact CD1-CD1 3.86Å; L478-L521 HydrophobicContact CD1-CD1 3.78Å; L478-L521 HydrophobicContact CD2-CD1 4.11Å; L478-W523 HydrophobicContact CD1-CH2 4.07Å; L478-W523 HydrophobicContact CD1-CZ3 4.39Å; L478-W523 HydrophobicContact CD2-CZ3 4.22Å; L478-L526 HydrophobicContact CD2-CD1 3.98Å; L478-L530 HydrophobicContact CD2-CD1 3.88Å; L478-L530 HydrophobicContact CD2-CD2 4.46Å
479	K	89.3	Confident	86.7	Confident	47 Å²	47	37.1 Å²	37.1	20%	0.204	19%	0.19	C	C	.	.	H	α-helix	trans	-62.7	-41.4	176.3	-88.3	175.3	-172.4	174.6	0	112.3	L475 T476 D477 K481 I482 A483 L530 L549	L475-K479 WeakPolarHBondContact O-CB 3.4Å; L475-K479 WeakPolarHBondContact O-CD 3.27Å; L475-K479 WeakPolarHBondContact O-CG 3.34Å; L475-K479 PolarHBondContact O-N 2.84Å; T476-K479 WeakPolarHBondContact O-CB 3.5Å; T476-K479 PolarHBondContact O-N 2.83Å; D477-K479 VanDerWaalsContact C-N 3.31Å; D477-K479 PolarHBondContact O-N 3.36Å; K479-K481 VanDerWaalsContact C-N 3.29Å; K479-K481 PolarHBondContact O-N 2.6Å; K479-I482 PolarHBondContact O-N 3.03Å; K479-A483 WeakPolarHBondContact O-CB 3.39Å; K479-A483 PolarHBondContact O-N 3.31Å; K479-L530 HydrophobicContact CG-CD2 4.09Å; K479-L549 HydrophobicContact CB-CD2 3.29Å; K479-L549 HydrophobicContact CD-CD2 4.1Å; K479-L549 HydrophobicContact CG-CD2 3.59Å; K479-L549 WeakPolarHBondContact O-CD2 3.45Å
480	N	83	Confident	87.2	Confident	75 Å²	75	35.4 Å²	35.4	40%	0.401	19%	0.185	S	C	.	.	H	α-helix	trans	-61.5	-40.7	174.6	-66.5	-21.9	0	0	0	110.8	T476 D477 A483 A484	T476-N480 VanDerWaalsContact O-CG 3.25Å; T476-N480 PolarHBondContact O-N 3.4Å; T476-N480 PolarHBondContact O-ND2 2.79Å; D477-N480 PolarHBondContact O-N 2.93Å; N480-A483 WeakPolarHBondContact O-CB 3.47Å; N480-A483 PolarHBondContact O-N 3.47Å; N480-A484 PolarHBondContact O-N 2.85Å
481	K	84.2	Confident	87.6	Confident	55 Å²	55	42.8 Å²	42.8	24%	0.239	22%	0.216	C	C	.	.	H	α-helix	trans	-63.4	-43.9	173.1	-167.8	70.1	173.1	179.6	0	111.9	L76 D477 L478 K479 A483 A484 Y485 L519	L76-K481 HydrophobicContact CD2-CB 4.23Å; L76-K481 HydrophobicContact CD2-CG 4.18Å; D477-K481 PolarHBondContact O-N 3.28Å; L478-K481 WeakPolarHBondContact O-CB 3.34Å; L478-K481 PolarHBondContact O-N 2.88Å; K479-K481 VanDerWaalsContact C-N 3.29Å; K479-K481 PolarHBondContact O-N 2.6Å; K481-A483 VanDerWaalsContact C-N 3.31Å; K481-A483 PolarHBondContact O-N 2.97Å; K481-A484 WeakPolarHBondContact O-CB 3.18Å; K481-A484 PolarHBondContact O-N 2.73Å; K481-Y485 HydrophobicContact CD-CE2 4.05Å; K481-Y485 WeakPolarHBondContact O-CD2 3.34Å; K481-Y485 PolarHBondContact O-N 3.02Å; K481-L519 HydrophobicContact CG-CD1 4.39Å
482	I	89	Confident	88	Confident	2 Å²	2	44.8 Å²	44.8	1%	0.01	23%	0.226	C	C	.	.	H	α-helix	trans	-61.3	-41.1	175.7	-67.1	166.7	0	0	0	111.3	L478 K479 A484 Y485 S486 L489 M513 L517 L530 T545 F546 L549	L478-I482 HydrophobicContact CD1-CD1 4.48Å; L478-I482 HydrophobicContact CG-CD1 3.99Å; L478-I482 HydrophobicContact CG-CG1 4.49Å; L478-I482 VanDerWaalsContact O-CG1 3.25Å; L478-I482 WeakPolarHBondContact O-CG1 3.43Å; L478-I482 PolarHBondContact O-N 3.33Å; K479-I482 PolarHBondContact O-N 3.03Å; I482-A484 VanDerWaalsContact C-N 3.28Å; I482-A484 PolarHBondContact O-N 2.84Å; I482-Y485 CarbonylContact O-C 3.47Å; I482-Y485 PolarHBondContact O-N 3.12Å; I482-S486 PolarHBondContact O-N 2.91Å; I482-L489 HydrophobicContact CG2-CD1 3.88Å; I482-M513 HydrophobicContact CD1-CE 3.53Å; I482-M513 HydrophobicContact CG1-CE 3.64Å; I482-M513 HydrophobicContact CG2-CE 4.23Å; I482-L517 HydrophobicContact CG1-CD1 3.82Å; I482-L530 HydrophobicContact CD1-CD1 4.21Å; I482-L530 HydrophobicContact CD1-CD2 4.1Å; I482-T545 HydrophobicContact CG2-CG2 3.87Å; I482-F546 HydrophobicContact CG2-CD1 4.5Å; I482-F546 HydrophobicContact CG2-CE1 4.27Å; I482-L549 HydrophobicContact CB-CD1 4.33Å; I482-L549 HydrophobicContact CG2-CD1 3.84Å
483	A	84.9	Confident	88.4	Confident	28 Å²	28	39.6 Å²	39.6	23%	0.231	20%	0.202	C	C	.	.	H	α-helix	trans	-63.1	-38.4	178	0	0	0	0	0	111.1	K479 N480 K481 Y485 S486 L549	K479-A483 WeakPolarHBondContact O-CB 3.39Å; K479-A483 PolarHBondContact O-N 3.31Å; N480-A483 WeakPolarHBondContact O-CB 3.47Å; N480-A483 PolarHBondContact O-N 3.47Å; K481-A483 VanDerWaalsContact C-N 3.31Å; K481-A483 PolarHBondContact O-N 2.97Å; A483-Y485 PolarHBondContact O-N 2.77Å; A483-S486 WeakPolarHBondContact O-CB 3.27Å; A483-S486 PolarHBondContact O-N 2.98Å; A483-L549 HydrophobicContact CB-CB 4Å; A483-L549 HydrophobicContact CB-CD1 3.86Å; A483-L549 HydrophobicContact CB-CD2 4.32Å; A483-L549 HydrophobicContact CB-CG 4.28Å
484	A	78.6	Confident	88.9	Confident	9 Å²	9	43 Å²	43	7%	0.074	21%	0.214	C	C	.	.	H	α-helix	trans	-60.9	-33.6	177.1	0	0	0	0	0	111.8	N480 K481 I482 E564 K568	N480-A484 PolarHBondContact O-N 2.85Å; K481-A484 WeakPolarHBondContact O-CB 3.18Å; K481-A484 PolarHBondContact O-N 2.73Å; I482-A484 VanDerWaalsContact C-N 3.28Å; I482-A484 PolarHBondContact O-N 2.84Å; A484-E564 WeakPolarHBondContact O-CB 3.28Å; A484-K568 HydrophobicContact CB-CB 4.47Å; A484-K568 HydrophobicContact CB-CG 3.7Å; A484-K568 WeakPolarHBondContact O-CE 3.44Å; A484-K568 WeakPolarHBondContact O-CG 3.07Å
485	Y	85.8	Confident	89.2	Confident	41 Å²	41	46.9 Å²	46.9	16%	0.161	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.6	29.6	-179.9	-67	-102.6	0	0	0	113	K481 I482 A483 T487 L489 V516 L517 K568	K481-Y485 HydrophobicContact CD-CE2 4.05Å; K481-Y485 WeakPolarHBondContact O-CD2 3.34Å; K481-Y485 PolarHBondContact O-N 3.02Å; I482-Y485 CarbonylContact O-C 3.47Å; I482-Y485 PolarHBondContact O-N 3.12Å; A483-Y485 PolarHBondContact O-N 2.77Å; Y485-T487 VanDerWaalsContact C-N 3.32Å; Y485-T487 PolarHBondContact O-N 3.39Å; Y485-L489 WeakPolarHBondContact O-CB 3.4Å; Y485-L489 WeakPolarHBondContact O-CD1 3.48Å; Y485-L489 VanDerWaalsContact O-CG 3.25Å; Y485-L489 WeakPolarHBondContact O-CG 3.11Å; Y485-L489 PolarHBondContact O-N 3.19Å; Y485-L489 VanDerWaalsContact O-N 3.08Å; Y485-V516 HydrophobicContact CD1-CG1 4.42Å; Y485-L517 HydrophobicContact CD2-CD2 3.75Å; Y485-L517 HydrophobicContact CG-CD2 3.78Å; Y485-K568 HydrophobicContact CD1-CD 4.32Å; Y485-K568 HydrophobicContact CD2-CG 4.2Å; Y485-K568 HydrophobicContact CE1-CD 4.19Å; Y485-K568 HydrophobicContact CE2-CD 4.45Å; Y485-K568 HydrophobicContact CE2-CG 3.96Å
486	S	87.8	Confident	89.4	Confident	7 Å²	7	49.7 Å²	49.7	5%	0.049	26%	0.256	C	S	.	.	H	α-helix	trans	-65.4	-37.2	-171.1	110.5	0	0	0	0	112.4	I482 A483 K490 E564	I482-S486 PolarHBondContact O-N 2.91Å; A483-S486 WeakPolarHBondContact O-CB 3.27Å; A483-S486 PolarHBondContact O-N 2.98Å; S486-K490 WeakPolarHBondContact O-CB 3.35Å; S486-K490 WeakPolarHBondContact O-CD 3.1Å; S486-K490 WeakPolarHBondContact O-CG 3.13Å; S486-K490 PolarHBondContact O-N 2.87Å; S486-K490 PolarHBondContact OG-NZ 2.95Å; S486-E564 WeakPolarHBondContact CB-OE1 3.38Å; S486-E564 PolarHBondContact N-OE2 2.77Å; S486-E564 PolarHBondContact OG-OE1 2.61Å; S486-E564 PolarHBondContact OG-OE2 3.03Å
487	T	85.8	Confident	89.8	Confident	67 Å²	67	48 Å²	48	41%	0.411	25%	0.245	S	C	.	.	H	α-helix	trans	-64.5	-51	179.8	-60.2	0	0	0	0	111.8	Y485 L489 K490 K491 E564	Y485-T487 VanDerWaalsContact C-N 3.32Å; Y485-T487 PolarHBondContact O-N 3.39Å; T487-L489 PolarHBondContact O-N 3.2Å; T487-K490 PolarHBondContact O-N 2.86Å; T487-K491 PolarHBondContact O-N 3.19Å; T487-E564 WeakPolarHBondContact CB-OE2 3.39Å; T487-E564 PolarHBondContact N-OE2 3.38Å; T487-E564 PolarHBondContact OG1-OE2 3.44Å
488	E	89.9	Confident	90.1	Very high	62 Å²	62	50.6 Å²	50.6	29%	0.29	27%	0.265	S	S	.	.	H	α-helix	trans	-64.7	-41.1	179	-63.3	96.8	134.9	0	0	112.1	K491 E492 V516 K568	E488-K491 PolarHBondContact O-N 3.3Å; E488-E492 PolarHBondContact O-N 3.03Å; E488-V516 HydrophobicContact CB-CG1 3.88Å; E488-K568 WeakPolarHBondContact OE1-CE 3.07Å; E488-K568 IonicContact OE1-NZ 2.62Å; E488-K568 PolarHBondContact OE1-NZ 3.45Å; E488-K568 IonicContact OE2-NZ 3.08Å; E488-K568 PolarHBondContact OE2-NZ 2.67Å; E488-K568 VanDerWaalsContact OE2-NZ 3.08Å
489	L	93.9	Very high	90.1	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-62	-44.6	176.2	-75.3	170.2	0	0	0	111.3	I482 Y485 T487 K491 E492 F493 T512 M513 V516 L517 F546	I482-L489 HydrophobicContact CG2-CD1 3.88Å; Y485-L489 WeakPolarHBondContact O-CB 3.4Å; Y485-L489 WeakPolarHBondContact O-CD1 3.48Å; Y485-L489 VanDerWaalsContact O-CG 3.25Å; Y485-L489 WeakPolarHBondContact O-CG 3.11Å; Y485-L489 PolarHBondContact O-N 3.19Å; Y485-L489 VanDerWaalsContact O-N 3.08Å; T487-L489 PolarHBondContact O-N 3.2Å; L489-K491 PolarHBondContact O-N 2.87Å; L489-E492 PolarHBondContact O-N 3.03Å; L489-F493 HydrophobicContact CB-CD2 4.39Å; L489-F493 HydrophobicContact CB-CE2 4.08Å; L489-F493 HydrophobicContact CD2-CE2 4.34Å; L489-F493 HydrophobicContact CD2-CZ 4.49Å; L489-F493 WeakPolarHBondContact O-CD2 3.45Å; L489-F493 WeakPolarHBondContact O-CG 3.36Å; L489-F493 PolarHBondContact O-N 3.46Å; L489-T512 HydrophobicContact CD2-CG2 4.16Å; L489-M513 HydrophobicContact CD1-SD 4.17Å; L489-M513 HydrophobicContact CD2-SD 3.77Å; L489-V516 HydrophobicContact CD2-CB 3.65Å; L489-V516 HydrophobicContact CD2-CG1 3.8Å; L489-V516 HydrophobicContact CD2-CG2 3.98Å; L489-V516 HydrophobicContact CG-CB 4.29Å; L489-V516 HydrophobicContact CG-CG1 3.86Å; L489-L517 HydrophobicContact CD1-CD2 4.45Å; L489-F546 HydrophobicContact CB-CE1 4.15Å; L489-F546 HydrophobicContact CB-CZ 3.79Å; L489-F546 HydrophobicContact CD1-CE1 4.1Å; L489-F546 HydrophobicContact CD1-CZ 4.44Å
490	K	93	Very high	90.2	Very high	71 Å²	71	59.1 Å²	59.1	31%	0.309	32%	0.317	S	S	.	.	H	α-helix	trans	-61.6	-44.1	177.5	-75.9	165.6	-171.8	153.5	0	111.4	S486 T487 E492 F493 Q494 F546	S486-K490 WeakPolarHBondContact O-CB 3.35Å; S486-K490 WeakPolarHBondContact O-CD 3.1Å; S486-K490 WeakPolarHBondContact O-CG 3.13Å; S486-K490 PolarHBondContact O-N 2.87Å; S486-K490 PolarHBondContact OG-NZ 2.95Å; T487-K490 PolarHBondContact O-N 2.86Å; K490-E492 PolarHBondContact O-N 2.99Å; K490-F493 PolarHBondContact O-N 3.36Å; K490-Q494 WeakPolarHBondContact O-CB 3.31Å; K490-Q494 VanDerWaalsContact O-CG 3.23Å; K490-Q494 WeakPolarHBondContact O-CG 3.47Å; K490-Q494 PolarHBondContact O-N 3.03Å; K490-Q494 PolarHBondContact O-OE1 2.85Å; K490-F546 HydrophobicContact CG-CD2 4.31Å; K490-F546 HydrophobicContact CG-CE2 3.68Å; K490-F546 HydrophobicContact CG-CZ 3.93Å
491	K	93.4	Very high	90.7	Very high	162 Å²	162	59.1 Å²	59.1	70%	0.704	32%	0.32	S	S	*	.	H	α-helix	trans	-58.9	-46.2	177.4	-176.8	176.7	-180	175.1	0	111.7	T487 E488 L489 Q494 S495	T487-K491 PolarHBondContact O-N 3.19Å; E488-K491 PolarHBondContact O-N 3.3Å; L489-K491 PolarHBondContact O-N 2.87Å; K491-Q494 PolarHBondContact O-N 3.25Å; K491-S495 PolarHBondContact O-N 3.13Å; K491-S495 VanDerWaalsContact O-N 3.1Å
492	E	95.5	Very high	91.1	Very high	59 Å²	59	57.1 Å²	57.1	28%	0.276	32%	0.315	S	S	.	.	H	α-helix	trans	-69.3	-33	177.1	-73.7	-81.3	169.1	0	0	112.9	E488 L489 K490 S495 L496 T512 K515 V516	E488-E492 PolarHBondContact O-N 3.03Å; L489-E492 PolarHBondContact O-N 3.03Å; K490-E492 PolarHBondContact O-N 2.99Å; E492-S495 PolarHBondContact O-OG 3.05Å; E492-L496 WeakPolarHBondContact O-CG 3.37Å; E492-L496 PolarHBondContact O-N 3.22Å; E492-T512 HydrophobicContact CB-CG2 3.61Å; E492-K515 IonicContact OE1-NZ 2.8Å; E492-K515 PolarHBondContact OE1-NZ 3.33Å; E492-K515 IonicContact OE2-NZ 2.89Å; E492-K515 PolarHBondContact OE2-NZ 3.19Å; E492-V516 HydrophobicContact CB-CG2 4.34Å; E492-V516 HydrophobicContact CG-CG2 3.89Å
493	F	96.9	Very high	91.4	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-71.1	-37.8	173.2	-70.1	-47.9	0	0	0	112.6	L489 K490 S495 L496 D497 V504 W509 T512 M513 Y542 F546	L489-F493 HydrophobicContact CB-CD2 4.39Å; L489-F493 HydrophobicContact CB-CE2 4.08Å; L489-F493 HydrophobicContact CD2-CE2 4.34Å; L489-F493 HydrophobicContact CD2-CZ 4.49Å; L489-F493 WeakPolarHBondContact O-CD2 3.45Å; L489-F493 WeakPolarHBondContact O-CG 3.36Å; L489-F493 PolarHBondContact O-N 3.46Å; K490-F493 PolarHBondContact O-N 3.36Å; F493-S495 VanDerWaalsContact C-N 3.34Å; F493-L496 PolarHBondContact O-N 3.28Å; F493-D497 PolarHBondContact O-N 3.1Å; F493-V504 HydrophobicContact CD1-CG2 4.29Å; F493-W509 HydrophobicContact CE1-CB 4.44Å; F493-W509 AromaticContact CE1-CD1 3.62Å; F493-W509 HydrophobicContact CE1-CG 4.25Å; F493-W509 AromaticContact CZ-CD1 3.43Å; F493-W509 VanDerWaalsContact CZ-CD1 3.43Å; F493-W509 HydrophobicContact CZ-CG 4.27Å; F493-W509 AromaticContact CZ-NE1 3.72Å; F493-T512 HydrophobicContact CD1-CG2 3.92Å; F493-T512 HydrophobicContact CE1-CG2 3.53Å; F493-T512 HydrophobicContact CE2-CG2 4.47Å; F493-T512 HydrophobicContact CZ-CG2 3.84Å; F493-M513 HydrophobicContact CE2-SD 4.49Å; F493-M513 HydrophobicContact CZ-CG 4.45Å; F493-M513 HydrophobicContact CZ-SD 4.03Å; F493-Y542 HydrophobicContact CB-CD1 4.26Å; F493-Y542 HydrophobicContact CB-CD2 3.4Å; F493-Y542 VanDerWaalsContact CB-CD2 3.4Å; F493-Y542 HydrophobicContact CB-CE1 4.39Å; F493-Y542 HydrophobicContact CB-CE2 3.59Å; F493-Y542 HydrophobicContact CB-CG 3.78Å; F493-Y542 HydrophobicContact CD1-CG 4.32Å; F493-Y542 AromaticContact CD2-CD2 3.79Å; F493-Y542 HydrophobicContact CD2-CD2 3.79Å; F493-Y542 HydrophobicContact CD2-CG 4.17Å; F493-Y542 AromaticContact CG-CD2 3.7Å; F493-Y542 HydrophobicContact CG-CD2 3.7Å; F493-Y542 HydrophobicContact CG-CE2 4.39Å; F493-Y542 AromaticContact CG-CG 3.84Å; F493-Y542 HydrophobicContact CG-CG 3.84Å; F493-F546 HydrophobicContact CD2-CE2 4.48Å; F493-F546 HydrophobicContact CD2-CZ 4.38Å; F493-F546 HydrophobicContact CE2-CZ 4.24Å
494	Q	94.8	Very high	91.9	Very high	104 Å²	104	60.1 Å²	60.1	49%	0.486	32%	0.321	S	S	.	.	H	α-helix	trans	-65.9	-35.6	177.2	-74.9	167.8	-28.4	0	0	112.1	K490 K491 L496 D497	K490-Q494 WeakPolarHBondContact O-CB 3.31Å; K490-Q494 VanDerWaalsContact O-CG 3.23Å; K490-Q494 WeakPolarHBondContact O-CG 3.47Å; K490-Q494 PolarHBondContact O-N 3.03Å; K490-Q494 PolarHBondContact O-OE1 2.85Å; K491-Q494 PolarHBondContact O-N 3.25Å; Q494-L496 PolarHBondContact O-N 2.61Å; Q494-D497 CarbonylContact O-C 3.54Å; Q494-D497 VanDerWaalsContact O-C 3.23Å; Q494-D497 PolarHBondContact O-N 2.85Å
495	S	95.1	Very high	92.7	Very high	81 Å²	81	62 Å²	62	57%	0.566	33%	0.331	S	S	*	.	H	α-helix	trans	-66.2	-26.5	174.9	71.6	0	0	0	0	112.8	K491 E492 F493	K491-S495 PolarHBondContact O-N 3.13Å; K491-S495 VanDerWaalsContact O-N 3.1Å; E492-S495 PolarHBondContact O-OG 3.05Å; F493-S495 VanDerWaalsContact C-N 3.34Å
496	L	94.8	Very high	93.1	Very high	67 Å²	67	63.3 Å²	63.3	35%	0.351	34%	0.338	S	S	.	.	H	α-helix	trans	-86.8	-14.7	175	-65.1	170	0	0	0	113.3	E492 F493 Q494 P498 V504 E508 T512	E492-L496 WeakPolarHBondContact O-CG 3.37Å; E492-L496 PolarHBondContact O-N 3.22Å; F493-L496 PolarHBondContact O-N 3.28Å; Q494-L496 PolarHBondContact O-N 2.61Å; L496-P498 VanDerWaalsContact C-CD 3.45Å; L496-P498 WeakPolarHBondContact O-CD 3.46Å; L496-V504 HydrophobicContact CB-CG1 4.02Å; L496-E508 HydrophobicContact CD1-CB 4.19Å; L496-T512 WeakPolarHBondContact CD1-OG1 3.31Å
497	D	94.3	Very high	93.5	Very high	8 Å²	8	68 Å²	68	4%	0.043	36%	0.362	C	S	.	.			trans	-124.7	68.8	177.3	-176.1	13.3	0	0	0	110.7	F493 Q494 T499 N500 T501 G502 R503 V504 Y542	F493-D497 PolarHBondContact O-N 3.1Å; Q494-D497 CarbonylContact O-C 3.54Å; Q494-D497 VanDerWaalsContact O-C 3.23Å; Q494-D497 PolarHBondContact O-N 2.85Å; D497-T499 PolarHBondContact O-N 3.35Å; D497-T499 VanDerWaalsContact O-N 3.09Å; D497-T499 PolarHBondContact OD1-OG1 2.9Å; D497-N500 PolarHBondContact O-N 3.35Å; D497-N500 PolarHBondContact OD1-N 2.88Å; D497-T501 VanDerWaalsContact CG-N 3.25Å; D497-T501 VanDerWaalsContact CG-OG1 3.26Å; D497-T501 PolarHBondContact OD1-N 3.02Å; D497-T501 PolarHBondContact OD1-OG1 2.61Å; D497-T501 WeakPolarHBondContact OD2-CA 3.43Å; D497-T501 PolarHBondContact OD2-N 2.84Å; D497-T501 PolarHBondContact OD2-OG1 2.97Å; D497-G502 WeakPolarHBondContact OD2-CA 3.27Å; D497-G502 PolarHBondContact OD2-N 3.1Å; D497-R503 PolarHBondContact OD2-N 2.99Å; D497-V504 HydrophobicContact CB-CG1 4.37Å; D497-Y542 HydrophobicContact CB-CE1 4Å; D497-Y542 WeakPolarHBondContact OD2-CE1 3.1Å; D497-Y542 PolarHBondContact OD2-OH 3.46Å
498	P	91.4	Very high	94	Very high	118 Å²	118	68.1 Å²	68.1	77%	0.766	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-20.6	-178	25.9	-35.5	0	0	0	113	L496 N500	L496-P498 VanDerWaalsContact C-CD 3.45Å; L496-P498 WeakPolarHBondContact O-CD 3.46Å; P498-N500 VanDerWaalsContact C-N 3.32Å
499	T	91.7	Very high	94.3	Very high	109 Å²	109	65.1 Å²	65.1	67%	0.669	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-3	175.7	44.4	0	0	0	0	114	D497 T501	D497-T499 PolarHBondContact O-N 3.35Å; D497-T499 VanDerWaalsContact O-N 3.09Å; D497-T499 PolarHBondContact OD1-OG1 2.9Å; T499-T501 VanDerWaalsContact C-N 3.26Å; T499-T501 PolarHBondContact O-N 3.22Å; T499-T501 WeakPolarHBondContact OG1-CG2 3.38Å
500	N	91.1	Very high	94.4	Very high	117 Å²	117	65.6 Å²	65.6	63%	0.626	35%	0.346	S	S	*	.			trans	50.8	43.5	-178.9	-164.2	32	0	0	0	113.3	D497 P498 G502	D497-N500 PolarHBondContact O-N 3.35Å; D497-N500 PolarHBondContact OD1-N 2.88Å; P498-N500 VanDerWaalsContact C-N 3.32Å; N500-G502 PolarHBondContact O-N 3.38Å
501	T	92.2	Very high	94.6	Very high	74 Å²	74	68.5 Å²	68.5	45%	0.454	36%	0.359	S	S	.	.			trans	-74.2	-14.4	177.3	63.2	0	0	0	0	113.2	D497 T499 R503	D497-T501 VanDerWaalsContact CG-N 3.25Å; D497-T501 VanDerWaalsContact CG-OG1 3.26Å; D497-T501 PolarHBondContact OD1-N 3.02Å; D497-T501 PolarHBondContact OD1-OG1 2.61Å; D497-T501 WeakPolarHBondContact OD2-CA 3.43Å; D497-T501 PolarHBondContact OD2-N 2.84Å; D497-T501 PolarHBondContact OD2-OG1 2.97Å; T499-T501 VanDerWaalsContact C-N 3.26Å; T499-T501 PolarHBondContact O-N 3.22Å; T499-T501 WeakPolarHBondContact OG1-CG2 3.38Å; T501-R503 VanDerWaalsContact C-N 3.31Å; T501-R503 PolarHBondContact OG1-N 3.45Å
502	G	93.3	Very high	94.7	Very high	13 Å²	13	61 Å²	61	13%	0.134	33%	0.327	C	S	.	.	S	Bend	trans	75.1	17.4	-171.2	0	0	0	0	0	113.2	D497 N500 E541 Y542	D497-G502 WeakPolarHBondContact OD2-CA 3.27Å; D497-G502 PolarHBondContact OD2-N 3.1Å; N500-G502 PolarHBondContact O-N 3.38Å; G502-E541 WeakPolarHBondContact O-CA 3.38Å; G502-Y542 VanDerWaalsContact C-CD1 3.42Å; G502-Y542 VanDerWaalsContact CA-CE1 3.5Å; G502-Y542 WeakPolarHBondContact O-CD1 3.35Å; G502-Y542 PolarHBondContact O-N 3.14Å
503	R	94.5	Very high	94.7	Very high	90 Å²	90	58.2 Å²	58.2	34%	0.34	31%	0.314	S	S	.	.			trans	-134.5	142.7	-172.1	-61.1	174.6	-172.5	150.1	7.5	112.6	D497 T501 S534 V540 E541 Y542	D497-R503 PolarHBondContact OD2-N 2.99Å; T501-R503 VanDerWaalsContact C-N 3.31Å; T501-R503 PolarHBondContact OG1-N 3.45Å; R503-S534 WeakPolarHBondContact CD-OG 3.47Å; R503-S534 PolarHBondContact NE-OG 3.34Å; R503-V540 WeakPolarHBondContact CA-O 3.21Å; R503-E541 HydrophobicContact CG-CG 4.41Å; R503-Y542 VanDerWaalsContact N-CE1 3.25Å
504	V	96	Very high	94.6	Very high	4 Å²	4	62.3 Å²	62.3	2%	0.024	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	163.8	170.9	-64.8	0	0	0	0	109.6	F493 L496 D497 E508 W509 Q539 V540 Y542	F493-V504 HydrophobicContact CD1-CG2 4.29Å; L496-V504 HydrophobicContact CB-CG1 4.02Å; D497-V504 HydrophobicContact CB-CG1 4.37Å; V504-E508 HydrophobicContact CB-CB 4.27Å; V504-W509 HydrophobicContact CG2-CB 4.03Å; V504-Q539 CarbonylContact O-C 3.23Å; V504-Q539 VanDerWaalsContact O-CA 3.3Å; V504-Q539 WeakPolarHBondContact O-CA 3.46Å; V504-V540 HydrophobicContact CG2-CG2 3.88Å; V504-V540 PolarHBondContact N-O 3.48Å; V504-V540 PolarHBondContact O-N 3.15Å; V504-Y542 HydrophobicContact CB-CD1 4.44Å; V504-Y542 HydrophobicContact CG1-CD1 3.8Å; V504-Y542 HydrophobicContact CG1-CE1 4.15Å; V504-Y542 HydrophobicContact CG2-CD1 4.14Å
505	T	95.6	Very high	94.6	Very high	49 Å²	49	63.8 Å²	63.8	30%	0.301	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	153.8	172.6	69.2	0	0	0	0	110.9	L507 E508 W509	T505-L507 PolarHBondContact O-N 2.93Å; T505-E508 VanDerWaalsContact CB-OE2 3.25Å; T505-E508 WeakPolarHBondContact CB-OE2 3.41Å; T505-E508 VanDerWaalsContact CG2-OE2 3.28Å; T505-E508 WeakPolarHBondContact CG2-OE2 3.25Å; T505-E508 PolarHBondContact N-OE2 2.78Å; T505-E508 PolarHBondContact O-N 3.38Å; T505-E508 WeakPolarHBondContact OG1-CB 3.39Å; T505-E508 WeakPolarHBondContact OG1-CG 3.37Å; T505-E508 PolarHBondContact OG1-N 3.03Å; T505-E508 PolarHBondContact OG1-OE2 3.42Å; T505-W509 PolarHBondContact O-N 2.87Å
506	K	94.3	Very high	94.4	Very high	68 Å²	68	61.2 Å²	61.2	30%	0.296	32%	0.319	S	S	.	.	H	α-helix	trans	-56.4	-37.1	175.3	176.9	173.8	178.1	171.3	0	112.2	C510 S524 Q527 H538 V540	K506-C510 PolarHBondContact O-N 3.15Å; K506-C510 PolarHBondContact O-SG 2.77Å; K506-S524 WeakPolarHBondContact CE-O 3.28Å; K506-S524 PolarHBondContact NZ-O 2.83Å; K506-Q527 HydrophobicContact CD-CG 4.43Å; K506-Q527 HydrophobicContact CG-CG 4.34Å; K506-H538 PolarHBondContact N-O 3.27Å; K506-V540 HydrophobicContact CB-CG1 4.45Å
507	L	95.4	Very high	94.2	Very high	105 Å²	105	58.5 Å²	58.5	55%	0.55	30%	0.304	S	S	.	.	H	α-helix	trans	-69.6	-45.6	-179	-179.6	62	0	0	0	111.3	T505 W509 C510 K511	T505-L507 PolarHBondContact O-N 2.93Å; L507-W509 VanDerWaalsContact C-N 3.31Å; L507-W509 PolarHBondContact O-N 2.75Å; L507-C510 PolarHBondContact O-N 3.34Å; L507-K511 HydrophobicContact CD1-CG 4.49Å; L507-K511 HydrophobicContact CG-CD 4.39Å; L507-K511 WeakPolarHBondContact O-CG 3.22Å; L507-K511 PolarHBondContact O-N 3.22Å
508	E	96.6	Very high	93.8	Very high	69 Å²	69	63.9 Å²	63.9	32%	0.322	33%	0.334	S	S	.	.	H	α-helix	trans	-56.5	-47.3	172.9	-77.7	158	167.4	0	0	110.7	L496 V504 T505 C510 K511 T512	L496-E508 HydrophobicContact CD1-CB 4.19Å; V504-E508 HydrophobicContact CB-CB 4.27Å; T505-E508 VanDerWaalsContact CB-OE2 3.25Å; T505-E508 WeakPolarHBondContact CB-OE2 3.41Å; T505-E508 VanDerWaalsContact CG2-OE2 3.28Å; T505-E508 WeakPolarHBondContact CG2-OE2 3.25Å; T505-E508 PolarHBondContact N-OE2 2.78Å; T505-E508 PolarHBondContact O-N 3.38Å; T505-E508 WeakPolarHBondContact OG1-CB 3.39Å; T505-E508 WeakPolarHBondContact OG1-CG 3.37Å; T505-E508 PolarHBondContact OG1-N 3.03Å; T505-E508 PolarHBondContact OG1-OE2 3.42Å; E508-C510 VanDerWaalsContact C-N 3.34Å; E508-C510 PolarHBondContact O-N 3.06Å; E508-K511 PolarHBondContact O-N 2.84Å; E508-T512 PolarHBondContact O-N 3.25Å; E508-T512 PolarHBondContact O-OG1 2.76Å; E508-T512 VanDerWaalsContact O-OG1 3.08Å
509	W	96.9	Very high	93.7	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-56.3	-47.8	176.5	-174.1	89.2	0	0	0	112.5	F493 V504 T505 L507 K511 T512 M513 W523 Q527 L530 V531 V540 T545	F493-W509 HydrophobicContact CE1-CB 4.44Å; F493-W509 AromaticContact CE1-CD1 3.62Å; F493-W509 HydrophobicContact CE1-CG 4.25Å; F493-W509 AromaticContact CZ-CD1 3.43Å; F493-W509 VanDerWaalsContact CZ-CD1 3.43Å; F493-W509 HydrophobicContact CZ-CG 4.27Å; F493-W509 AromaticContact CZ-NE1 3.72Å; V504-W509 HydrophobicContact CG2-CB 4.03Å; T505-W509 PolarHBondContact O-N 2.87Å; L507-W509 VanDerWaalsContact C-N 3.31Å; L507-W509 PolarHBondContact O-N 2.75Å; W509-K511 PolarHBondContact O-N 2.76Å; W509-T512 PolarHBondContact O-N 2.91Å; W509-M513 HydrophobicContact CD2-CG 3.82Å; W509-M513 HydrophobicContact CE3-CG 4.01Å; W509-M513 HydrophobicContact CG-CG 4.47Å; W509-M513 HydrophobicContact CH2-CE 4.26Å; W509-M513 HydrophobicContact CH2-CG 3.85Å; W509-M513 HydrophobicContact CZ2-CE 3.94Å; W509-M513 HydrophobicContact CZ2-CG 3.66Å; W509-M513 HydrophobicContact CZ2-SD 3.89Å; W509-M513 HydrophobicContact CZ3-CG 4.03Å; W509-M513 WeakPolarHBondContact O-CG 3.2Å; W509-M513 PolarHBondContact O-N 3.14Å; W509-W523 HydrophobicContact CH2-CE3 4.28Å; W509-W523 HydrophobicContact CZ3-CB 4.3Å; W509-W523 HydrophobicContact CZ3-CE3 4.36Å; W509-Q527 HydrophobicContact CE3-CB 4.3Å; W509-Q527 HydrophobicContact CE3-CG 4.27Å; W509-Q527 HydrophobicContact CZ3-CB 3.93Å; W509-Q527 HydrophobicContact CZ3-CG 4.33Å; W509-L530 HydrophobicContact CH2-CB 3.95Å; W509-L530 HydrophobicContact CH2-CD1 3.99Å; W509-L530 HydrophobicContact CZ2-CB 4.1Å; W509-V531 HydrophobicContact CD2-CG1 3.92Å; W509-V531 HydrophobicContact CE3-CG1 4.36Å; W509-V531 HydrophobicContact CG-CG1 4.42Å; W509-V531 HydrophobicContact CH2-CG1 4.23Å; W509-V531 HydrophobicContact CZ2-CB 4.02Å; W509-V531 HydrophobicContact CZ2-CG1 3.75Å; W509-V540 HydrophobicContact CB-CG2 3.65Å; W509-V540 HydrophobicContact CG-CG2 3.81Å; W509-T545 HydrophobicContact CZ2-CG2 4.26Å; W509-T545 PolarHBondContact NE1-OG1 2.85Å; W509-T545 VanDerWaalsContact NE1-OG1 3.13Å
510	C	96.2	Very high	93.5	Very high	9 Å²	9	60.6 Å²	60.6	6%	0.061	30%	0.298	C	S	.	.	H	α-helix	trans	-60.7	-44.9	178.5	-64.7	0	0	0	0	112	K506 L507 E508 M513 E514 W523 S524	K506-C510 PolarHBondContact O-N 3.15Å; K506-C510 PolarHBondContact O-SG 2.77Å; L507-C510 PolarHBondContact O-N 3.34Å; E508-C510 VanDerWaalsContact C-N 3.34Å; E508-C510 PolarHBondContact O-N 3.06Å; C510-M513 PolarHBondContact O-N 3.32Å; C510-E514 WeakPolarHBondContact O-CB 3.31Å; C510-E514 PolarHBondContact O-N 3.49Å; C510-W523 HydrophobicContact CB-CB 3.82Å; C510-S524 PolarHBondContact SG-OG 2.91Å
511	K	95.9	Very high	93.5	Very high	132 Å²	132	55.4 Å²	55.4	57%	0.574	27%	0.27	S	S	*	.	H	α-helix	trans	-64.5	-41.8	-179.9	-73.6	-179.1	177.1	-176.3	0	112	L507 E508 W509 E514 K515	L507-K511 HydrophobicContact CD1-CG 4.49Å; L507-K511 HydrophobicContact CG-CD 4.39Å; L507-K511 WeakPolarHBondContact O-CG 3.22Å; L507-K511 PolarHBondContact O-N 3.22Å; E508-K511 PolarHBondContact O-N 2.84Å; W509-K511 PolarHBondContact O-N 2.76Å; K511-E514 PolarHBondContact O-N 3.31Å; K511-K515 WeakPolarHBondContact O-CB 3.23Å; K511-K515 PolarHBondContact O-N 3.38Å
512	T	96.9	Very high	93.4	Very high	5 Å²	5	53.7 Å²	53.7	3%	0.031	26%	0.26	C	S	.	.	H	α-helix	trans	-64.7	-44.4	177.2	-58.3	0	0	0	0	111.3	L489 E492 F493 L496 E508 W509 E514 K515 V516	L489-T512 HydrophobicContact CD2-CG2 4.16Å; E492-T512 HydrophobicContact CB-CG2 3.61Å; F493-T512 HydrophobicContact CD1-CG2 3.92Å; F493-T512 HydrophobicContact CE1-CG2 3.53Å; F493-T512 HydrophobicContact CE2-CG2 4.47Å; F493-T512 HydrophobicContact CZ-CG2 3.84Å; L496-T512 WeakPolarHBondContact CD1-OG1 3.31Å; E508-T512 PolarHBondContact O-N 3.25Å; E508-T512 PolarHBondContact O-OG1 2.76Å; E508-T512 VanDerWaalsContact O-OG1 3.08Å; W509-T512 PolarHBondContact O-N 2.91Å; T512-E514 PolarHBondContact O-N 2.8Å; T512-K515 PolarHBondContact O-N 3.36Å; T512-V516 HydrophobicContact CG2-CG2 4.14Å; T512-V516 WeakPolarHBondContact O-CB 3.06Å; T512-V516 WeakPolarHBondContact O-CG2 3.36Å; T512-V516 PolarHBondContact O-N 2.75Å
513	M	96	Very high	93.4	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-61.2	-44.6	177.5	-65.7	-63.3	-69.6	0	0	111.8	I482 L489 F493 W509 C510 L517 W523 T545	I482-M513 HydrophobicContact CD1-CE 3.53Å; I482-M513 HydrophobicContact CG1-CE 3.64Å; I482-M513 HydrophobicContact CG2-CE 4.23Å; L489-M513 HydrophobicContact CD1-SD 4.17Å; L489-M513 HydrophobicContact CD2-SD 3.77Å; F493-M513 HydrophobicContact CE2-SD 4.49Å; F493-M513 HydrophobicContact CZ-CG 4.45Å; F493-M513 HydrophobicContact CZ-SD 4.03Å; W509-M513 HydrophobicContact CD2-CG 3.82Å; W509-M513 HydrophobicContact CE3-CG 4.01Å; W509-M513 HydrophobicContact CG-CG 4.47Å; W509-M513 HydrophobicContact CH2-CE 4.26Å; W509-M513 HydrophobicContact CH2-CG 3.85Å; W509-M513 HydrophobicContact CZ2-CE 3.94Å; W509-M513 HydrophobicContact CZ2-CG 3.66Å; W509-M513 HydrophobicContact CZ2-SD 3.89Å; W509-M513 HydrophobicContact CZ3-CG 4.03Å; W509-M513 WeakPolarHBondContact O-CG 3.2Å; W509-M513 PolarHBondContact O-N 3.14Å; C510-M513 PolarHBondContact O-N 3.32Å; M513-L517 HydrophobicContact CE-CD1 3.72Å; M513-L517 VanDerWaalsContact O-CB 3.27Å; M513-L517 WeakPolarHBondContact O-CB 3.26Å; M513-L517 WeakPolarHBondContact O-CG 3.31Å; M513-L517 PolarHBondContact O-N 2.81Å; M513-L517 VanDerWaalsContact O-N 3.13Å; M513-W523 HydrophobicContact CB-CD2 3.8Å; M513-W523 HydrophobicContact CB-CE3 3.89Å; M513-W523 HydrophobicContact CB-CG 4.34Å; M513-W523 HydrophobicContact CB-CH2 4.18Å; M513-W523 HydrophobicContact CB-CZ2 4.07Å; M513-W523 HydrophobicContact CB-CZ3 4.1Å; M513-W523 HydrophobicContact CE-CE3 4.45Å; M513-W523 HydrophobicContact CE-CH2 4.17Å; M513-W523 HydrophobicContact CE-CZ3 3.82Å; M513-W523 HydrophobicContact CG-CE3 4.44Å; M513-T545 HydrophobicContact CE-CG2 4.41Å; M513-T545 HydrophobicContact SD-CG2 4.49Å
514	E	94.6	Very high	93.2	Very high	86 Å²	86	52 Å²	52	40%	0.402	26%	0.259	S	S	.	.	H	α-helix	trans	-65.2	-46.3	177	-166.8	168	171	0	0	111.9	C510 K511 T512 D518	C510-E514 WeakPolarHBondContact O-CB 3.31Å; C510-E514 PolarHBondContact O-N 3.49Å; K511-E514 PolarHBondContact O-N 3.31Å; T512-E514 PolarHBondContact O-N 2.8Å; E514-D518 VanDerWaalsContact O-CA 3.23Å; E514-D518 WeakPolarHBondContact O-CA 3.19Å; E514-D518 PolarHBondContact O-N 3.08Å
515	K	93.4	Very high	92.9	Very high	135 Å²	135	55.4 Å²	55.4	59%	0.587	28%	0.28	S	S	*	.	H	α-helix	trans	-62.2	-46.9	-179.1	179.2	-168.7	171.9	-162.9	0	112.4	E492 K511 T512	E492-K515 IonicContact OE1-NZ 2.8Å; E492-K515 PolarHBondContact OE1-NZ 3.33Å; E492-K515 IonicContact OE2-NZ 2.89Å; E492-K515 PolarHBondContact OE2-NZ 3.19Å; K511-K515 WeakPolarHBondContact O-CB 3.23Å; K511-K515 PolarHBondContact O-N 3.38Å; T512-K515 PolarHBondContact O-N 3.36Å
516	V	92.2	Very high	92.7	Very high	27 Å²	27	53.3 Å²	53.3	16%	0.164	27%	0.267	C	S	.	.	H	α-helix	trans	-79.7	-38.8	-172.7	175.9	0	0	0	0	111.6	Y485 E488 L489 E492 T512	Y485-V516 HydrophobicContact CD1-CG1 4.42Å; E488-V516 HydrophobicContact CB-CG1 3.88Å; L489-V516 HydrophobicContact CD2-CB 3.65Å; L489-V516 HydrophobicContact CD2-CG1 3.8Å; L489-V516 HydrophobicContact CD2-CG2 3.98Å; L489-V516 HydrophobicContact CG-CB 4.29Å; L489-V516 HydrophobicContact CG-CG1 3.86Å; E492-V516 HydrophobicContact CB-CG2 4.34Å; E492-V516 HydrophobicContact CG-CG2 3.89Å; T512-V516 HydrophobicContact CG2-CG2 4.14Å; T512-V516 WeakPolarHBondContact O-CB 3.06Å; T512-V516 WeakPolarHBondContact O-CG2 3.36Å; T512-V516 PolarHBondContact O-N 2.75Å
517	L	89.4	Confident	92.5	Very high	10 Å²	10	50.8 Å²	50.8	5%	0.052	26%	0.256	C	S	.	.	H	α-helix	trans	-89.2	-16.1	-177.2	-58.8	172.3	0	0	0	113.2	I482 Y485 L489 M513 L519 W523	I482-L517 HydrophobicContact CG1-CD1 3.82Å; Y485-L517 HydrophobicContact CD2-CD2 3.75Å; Y485-L517 HydrophobicContact CG-CD2 3.78Å; L489-L517 HydrophobicContact CD1-CD2 4.45Å; M513-L517 HydrophobicContact CE-CD1 3.72Å; M513-L517 VanDerWaalsContact O-CB 3.27Å; M513-L517 WeakPolarHBondContact O-CB 3.26Å; M513-L517 WeakPolarHBondContact O-CG 3.31Å; M513-L517 PolarHBondContact O-N 2.81Å; M513-L517 VanDerWaalsContact O-N 3.13Å; L517-L519 HydrophobicContact CB-CD1 4.08Å; L517-L519 HydrophobicContact CB-CG 3.96Å; L517-L519 WeakPolarHBondContact O-CG 3.3Å; L517-L519 PolarHBondContact O-N 3.36Å; L517-W523 HydrophobicContact CD1-CH2 3.58Å; L517-W523 HydrophobicContact CD1-CZ2 4.08Å; L517-W523 HydrophobicContact CD1-CZ3 4.47Å
518	D	87.6	Confident	92.3	Very high	122 Å²	122	50 Å²	50	65%	0.652	26%	0.258	S	S	*	.			trans	52.2	37.1	-173.1	-163	27.6	0	0	0	113	E514	E514-D518 VanDerWaalsContact O-CA 3.23Å; E514-D518 WeakPolarHBondContact O-CA 3.19Å; E514-D518 PolarHBondContact O-N 3.08Å
519	L	88.8	Confident	91.9	Very high	2 Å²	2	53 Å²	53	1%	0.01	27%	0.266	C	S	.	.			trans	-108.8	116.4	177.2	-53.8	174.5	0	0	0	109.7	T75 L76 A79 L478 K481 L517 L521 W523	T75-L519 HydrophobicContact CG2-CB 3.91Å; T75-L519 HydrophobicContact CG2-CD2 3.81Å; T75-L519 HydrophobicContact CG2-CG 4.42Å; L76-L519 HydrophobicContact CD2-CD1 4Å; L76-L519 HydrophobicContact CD2-CD2 4.48Å; A79-L519 HydrophobicContact CB-CD2 4.02Å; L478-L519 HydrophobicContact CD1-CD1 3.86Å; K481-L519 HydrophobicContact CG-CD1 4.39Å; L517-L519 HydrophobicContact CB-CD1 4.08Å; L517-L519 HydrophobicContact CB-CG 3.96Å; L517-L519 WeakPolarHBondContact O-CG 3.3Å; L517-L519 PolarHBondContact O-N 3.36Å; L519-L521 HydrophobicContact CB-CD1 3.97Å; L519-L521 HydrophobicContact CB-CG 4.06Å; L519-L521 HydrophobicContact CD1-CD1 4.11Å; L519-L521 PolarHBondContact O-N 3.44Å; L519-W523 HydrophobicContact CB-CZ2 3.93Å; L519-W523 HydrophobicContact CD1-CH2 4.47Å; L519-W523 PolarHBondContact O-NE1 2.81Å
520	K	86.4	Confident	91.6	Very high	155 Å²	155	53.6 Å²	53.6	67%	0.674	27%	0.269	S	S	*	.			trans	-74.9	60.9	176.3	-64.9	-179.5	-177.9	172	0	111.9
521	L	91.6	Very high	91.5	Very high	9 Å²	9	53.4 Å²	53.4	5%	0.047	27%	0.268	C	S	.	.			trans	-99.1	155.4	-179.7	-69.8	173.7	0	0	0	111.5	M71 I72 T75 L478 L519 W523 L526	M71-L521 HydrophobicContact CB-CD2 4.24Å; M71-L521 WeakPolarHBondContact O-CD2 3.25Å; I72-L521 HydrophobicContact CG1-CD1 4.4Å; I72-L521 HydrophobicContact CG1-CD2 4.19Å; T75-L521 HydrophobicContact CG2-CD2 4.34Å; T75-L521 HydrophobicContact CG2-CG 4.32Å; T75-L521 WeakPolarHBondContact OG1-CD2 3.19Å; L478-L521 HydrophobicContact CD1-CD1 3.78Å; L478-L521 HydrophobicContact CD2-CD1 4.11Å; L519-L521 HydrophobicContact CB-CD1 3.97Å; L519-L521 HydrophobicContact CB-CG 4.06Å; L519-L521 HydrophobicContact CD1-CD1 4.11Å; L519-L521 PolarHBondContact O-N 3.44Å; L521-W523 HydrophobicContact CB-CD2 4.18Å; L521-W523 HydrophobicContact CB-CZ2 4.16Å; L521-W523 HydrophobicContact CD1-CH2 3.94Å; L521-W523 HydrophobicContact CD1-CZ2 4.11Å; L521-W523 HydrophobicContact CD1-CZ3 4.38Å; L521-W523 PolarHBondContact O-N 2.59Å; L521-L526 HydrophobicContact CB-CD1 4.01Å; L521-L526 HydrophobicContact CD1-CD1 4.24Å
522	P	90.1	Very high	91.4	Very high	38 Å²	38	50.7 Å²	50.7	25%	0.247	26%	0.262	C	S	.	.			trans	-77.5	69.5	175.7	33.4	-34.3	0	0	0	109.6	M71 S524 T525 L526	M71-P522 HydrophobicContact CE-CG 3.89Å; M71-P522 HydrophobicContact SD-CG 3.89Å; P522-S524 PolarHBondContact O-N 3.12Å; P522-S524 VanDerWaalsContact O-N 3.11Å; P522-T525 WeakPolarHBondContact O-CA 3.44Å; P522-T525 VanDerWaalsContact O-CB 3.31Å; P522-T525 WeakPolarHBondContact O-CB 3.48Å; P522-T525 PolarHBondContact O-N 2.9Å; P522-L526 PolarHBondContact O-N 2.65Å; P522-L526 VanDerWaalsContact O-N 3.15Å
523	W	93.7	Very high	91.1	Very high	4 Å²	4	53.5 Å²	53.5	2%	0.015	29%	0.286	C	S	.	.	H	α-helix	trans	-53	-37.2	-173	-65.9	112.5	0	0	0	113.4	L478 W509 C510 M513 L517 L519 L521 T525 L526 Q527 L530	L478-W523 HydrophobicContact CD1-CH2 4.07Å; L478-W523 HydrophobicContact CD1-CZ3 4.39Å; L478-W523 HydrophobicContact CD2-CZ3 4.22Å; W509-W523 HydrophobicContact CH2-CE3 4.28Å; W509-W523 HydrophobicContact CZ3-CB 4.3Å; W509-W523 HydrophobicContact CZ3-CE3 4.36Å; C510-W523 HydrophobicContact CB-CB 3.82Å; M513-W523 HydrophobicContact CB-CD2 3.8Å; M513-W523 HydrophobicContact CB-CE3 3.89Å; M513-W523 HydrophobicContact CB-CG 4.34Å; M513-W523 HydrophobicContact CB-CH2 4.18Å; M513-W523 HydrophobicContact CB-CZ2 4.07Å; M513-W523 HydrophobicContact CB-CZ3 4.1Å; M513-W523 HydrophobicContact CE-CE3 4.45Å; M513-W523 HydrophobicContact CE-CH2 4.17Å; M513-W523 HydrophobicContact CE-CZ3 3.82Å; M513-W523 HydrophobicContact CG-CE3 4.44Å; L517-W523 HydrophobicContact CD1-CH2 3.58Å; L517-W523 HydrophobicContact CD1-CZ2 4.08Å; L517-W523 HydrophobicContact CD1-CZ3 4.47Å; L519-W523 HydrophobicContact CB-CZ2 3.93Å; L519-W523 HydrophobicContact CD1-CH2 4.47Å; L519-W523 PolarHBondContact O-NE1 2.81Å; L521-W523 HydrophobicContact CB-CD2 4.18Å; L521-W523 HydrophobicContact CB-CZ2 4.16Å; L521-W523 HydrophobicContact CD1-CH2 3.94Å; L521-W523 HydrophobicContact CD1-CZ2 4.11Å; L521-W523 HydrophobicContact CD1-CZ3 4.38Å; L521-W523 PolarHBondContact O-N 2.59Å; W523-T525 PolarHBondContact O-N 2.82Å; W523-L526 HydrophobicContact CE3-CD1 4.37Å; W523-L526 PolarHBondContact O-N 2.55Å; W523-L526 VanDerWaalsContact O-N 3.15Å; W523-Q527 WeakPolarHBondContact O-CB 3.48Å; W523-Q527 PolarHBondContact O-N 2.79Å; W523-L530 HydrophobicContact CE3-CD1 4.4Å; W523-L530 HydrophobicContact CZ3-CD1 4.15Å
524	S	90.8	Very high	90.9	Very high	62 Å²	62	54.1 Å²	54.1	43%	0.434	29%	0.29	S	S	.	.	H	α-helix	trans	-60.8	-31.6	175.6	-82.2	0	0	0	0	114	K506 C510 P522	K506-S524 WeakPolarHBondContact CE-O 3.28Å; K506-S524 PolarHBondContact NZ-O 2.83Å; C510-S524 PolarHBondContact SG-OG 2.91Å; P522-S524 PolarHBondContact O-N 3.12Å; P522-S524 VanDerWaalsContact O-N 3.11Å
525	T	89	Confident	90.6	Very high	76 Å²	76	59.6 Å²	59.6	47%	0.466	31%	0.313	S	S	.	.	H	α-helix	trans	-80.7	-34.6	176.1	-54.6	0	0	0	0	111.3	C68 P522 W523 P528	C68-T525 VanDerWaalsContact SG-CG2 3.56Å; P522-T525 WeakPolarHBondContact O-CA 3.44Å; P522-T525 VanDerWaalsContact O-CB 3.31Å; P522-T525 WeakPolarHBondContact O-CB 3.48Å; P522-T525 PolarHBondContact O-N 2.9Å; W523-T525 PolarHBondContact O-N 2.82Å; T525-P528 WeakPolarHBondContact O-CD 3.14Å
526	L	90.3	Very high	90.3	Very high	6 Å²	6	56.5 Å²	56.5	3%	0.031	30%	0.302	C	S	.	.	H	α-helix	trans	-79.6	-24.6	-179.9	-63.9	176.4	0	0	0	113.4	C68 I72 L475 L478 L521 P522 W523 P528 R529 L530	C68-L526 HydrophobicContact CB-CD2 4.19Å; I72-L526 HydrophobicContact CD1-CD1 4.35Å; I72-L526 HydrophobicContact CD1-CD2 3.93Å; I72-L526 HydrophobicContact CG1-CD1 4.29Å; L475-L526 HydrophobicContact CD2-CD2 4.5Å; L478-L526 HydrophobicContact CD2-CD1 3.98Å; L521-L526 HydrophobicContact CB-CD1 4.01Å; L521-L526 HydrophobicContact CD1-CD1 4.24Å; P522-L526 PolarHBondContact O-N 2.65Å; P522-L526 VanDerWaalsContact O-N 3.15Å; W523-L526 HydrophobicContact CE3-CD1 4.37Å; W523-L526 PolarHBondContact O-N 2.55Å; W523-L526 VanDerWaalsContact O-N 3.15Å; L526-P528 VanDerWaalsContact C-CD 3.47Å; L526-R529 WeakPolarHBondContact O-CB 3.26Å; L526-R529 PolarHBondContact O-N 3.36Å; L526-L530 HydrophobicContact CB-CD1 3.81Å; L526-L530 PolarHBondContact O-N 2.87Å
527	Q	91.7	Very high	90.1	Very high	14 Å²	14	60 Å²	60	7%	0.065	33%	0.325	C	S	.	.	H	α-helix	trans	-43.7	-50.8	-175.8	176.9	-78.6	-55.7	0	0	113.7	K506 W509 W523 R529 L530 V531 V540	K506-Q527 HydrophobicContact CD-CG 4.43Å; K506-Q527 HydrophobicContact CG-CG 4.34Å; W509-Q527 HydrophobicContact CE3-CB 4.3Å; W509-Q527 HydrophobicContact CE3-CG 4.27Å; W509-Q527 HydrophobicContact CZ3-CB 3.93Å; W509-Q527 HydrophobicContact CZ3-CG 4.33Å; W523-Q527 WeakPolarHBondContact O-CB 3.48Å; W523-Q527 PolarHBondContact O-N 2.79Å; Q527-R529 PolarHBondContact O-N 2.92Å; Q527-L530 PolarHBondContact O-N 2.84Å; Q527-V531 HydrophobicContact CB-CG1 4.48Å; Q527-V531 HydrophobicContact CG-CG1 3.59Å; Q527-V531 PolarHBondContact NE2-O 2.85Å; Q527-V531 PolarHBondContact O-N 3.26Å; Q527-V531 VanDerWaalsContact O-O 3.07Å; Q527-V540 HydrophobicContact CG-CG1 4.05Å
528	P	89.8	Confident	90.1	Very high	90 Å²	90	67.4 Å²	67.4	58%	0.584	36%	0.359	S	S	*	.	H	α-helix	trans	-64.9	-13.8	-177.5	-20.9	33.9	0	0	0	114.8	T525 L526	T525-P528 WeakPolarHBondContact O-CD 3.14Å; L526-P528 VanDerWaalsContact C-CD 3.47Å
529	R	88.4	Confident	90.5	Very high	130 Å²	130	64.3 Å²	64.3	49%	0.491	34%	0.341	S	S	.	.	H	α-helix	trans	-97.1	-17.4	178.6	-56	-64.1	-72.3	169.8	-0.8	112.6	E471 L475 L526 Q527	E471-R529 IonicContact OE1-NE 3.84Å; L475-R529 HydrophobicContact CD1-CB 3.98Å; L475-R529 HydrophobicContact CD1-CG 4.27Å; L475-R529 HydrophobicContact CD2-CB 4.07Å; L526-R529 WeakPolarHBondContact O-CB 3.26Å; L526-R529 PolarHBondContact O-N 3.36Å; Q527-R529 PolarHBondContact O-N 2.92Å
530	L	91.8	Very high	90.8	Very high	13 Å²	13	64.3 Å²	64.3	7%	0.068	34%	0.341	C	S	.	.	H	α-helix	trans	-112.9	-36.1	-171.5	-64.5	175.2	0	0	0	112.9	L475 L478 K479 I482 W509 W523 L526 Q527 T545	L475-L530 HydrophobicContact CD2-CD2 4.09Å; L478-L530 HydrophobicContact CD2-CD1 3.88Å; L478-L530 HydrophobicContact CD2-CD2 4.46Å; K479-L530 HydrophobicContact CG-CD2 4.09Å; I482-L530 HydrophobicContact CD1-CD1 4.21Å; I482-L530 HydrophobicContact CD1-CD2 4.1Å; W509-L530 HydrophobicContact CH2-CB 3.95Å; W509-L530 HydrophobicContact CH2-CD1 3.99Å; W509-L530 HydrophobicContact CZ2-CB 4.1Å; W523-L530 HydrophobicContact CE3-CD1 4.4Å; W523-L530 HydrophobicContact CZ3-CD1 4.15Å; L526-L530 HydrophobicContact CB-CD1 3.81Å; L526-L530 PolarHBondContact O-N 2.87Å; Q527-L530 PolarHBondContact O-N 2.84Å; L530-T545 WeakPolarHBondContact O-CA 3.5Å
531	V	93.4	Very high	91.2	Very high	6 Å²	6	59.7 Å²	59.7	4%	0.036	32%	0.322	C	S	.	.	S	Bend	trans	-139.7	143.2	-176.3	66.7	0	0	0	0	111.2	W509 Q527 V540 E541 T544 T545	W509-V531 HydrophobicContact CD2-CG1 3.92Å; W509-V531 HydrophobicContact CE3-CG1 4.36Å; W509-V531 HydrophobicContact CG-CG1 4.42Å; W509-V531 HydrophobicContact CH2-CG1 4.23Å; W509-V531 HydrophobicContact CZ2-CB 4.02Å; W509-V531 HydrophobicContact CZ2-CG1 3.75Å; Q527-V531 HydrophobicContact CB-CG1 4.48Å; Q527-V531 HydrophobicContact CG-CG1 3.59Å; Q527-V531 PolarHBondContact NE2-O 2.85Å; Q527-V531 PolarHBondContact O-N 3.26Å; Q527-V531 VanDerWaalsContact O-O 3.07Å; V531-V540 HydrophobicContact CG1-CB 4.08Å; V531-V540 HydrophobicContact CG1-CG1 4.05Å; V531-V540 HydrophobicContact CG1-CG2 4.39Å; V531-V540 HydrophobicContact CG2-CB 3.99Å; V531-V540 HydrophobicContact CG2-CG2 4.29Å; V531-E541 VanDerWaalsContact CG2-O 3.26Å; V531-E541 WeakPolarHBondContact CG2-O 3.42Å; V531-T544 VanDerWaalsContact CG2-OG1 3.31Å; V531-T544 WeakPolarHBondContact CG2-OG1 3.43Å; V531-T545 WeakPolarHBondContact CG2-OG1 3.15Å
532	V	93	Very high	91.3	Very high	75 Å²	75	59.3 Å²	59.3	46%	0.455	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-74.9	133.6	179.8	-179.7	0	0	0	0	110.1	V540 E541 T544	V532-V540 WeakPolarHBondContact O-CA 3.27Å; V532-E541 PolarHBondContact O-N 2.97Å; V532-T544 HydrophobicContact CB-CG2 4.03Å; V532-T544 HydrophobicContact CG2-CG2 4.03Å; V532-T544 PolarHBondContact N-OG1 3.47Å
533	A	91.5	Very high	91.4	Very high	63 Å²	63	61.4 Å²	61.4	52%	0.521	33%	0.328	S	S	.	.	B	Isolated β-bridge	trans	-71	135.7	171.5	0	0	0	0	0	110
534	S	91	Very high	91.3	Very high	14 Å²	14	61.9 Å²	61.9	10%	0.098	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-68.5	161.7	176.2	-172.4	0	0	0	0	111	R503 I536 Q539	R503-S534 WeakPolarHBondContact CD-OG 3.47Å; R503-S534 PolarHBondContact NE-OG 3.34Å; S534-I536 PolarHBondContact O-N 3.32Å; S534-I536 PolarHBondContact OG-N 2.89Å; S534-Q539 WeakPolarHBondContact CB-O 3.33Å; S534-Q539 PolarHBondContact N-O 3.02Å
535	K	89.4	Confident	91.4	Very high	200 Å²	200	59.3 Å²	59.3	87%	0.87	31%	0.313	S	S	*	.	S	Bend	trans	-63.2	-24.1	165.6	-62.2	-176.9	-177.2	177.6	0	112.1
536	I	87.2	Confident	91.3	Very high	70 Å²	70	56.6 Å²	56.6	36%	0.359	30%	0.295	S	S	.	.	S	Bend	trans	-79.9	127.6	174	-59.7	175.7	0	0	0	108.6	S534 H538 Q539	S534-I536 PolarHBondContact O-N 3.32Å; S534-I536 PolarHBondContact OG-N 2.89Å; I536-H538 PolarHBondContact O-N 2.86Å; I536-Q539 HydrophobicContact CB-CB 4.38Å; I536-Q539 HydrophobicContact CB-CG 4.45Å; I536-Q539 HydrophobicContact CG2-CG 4.11Å; I536-Q539 PolarHBondContact O-N 3.22Å
537	P	87.9	Confident	90.6	Very high	100 Å²	100	62.4 Å²	62.4	65%	0.649	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	140.8	179.2	-26.7	34.5	0	0	0	112.7	Q539	P537-Q539 PolarHBondContact O-N 3.4Å; P537-Q539 VanDerWaalsContact O-N 3.13Å
538	H	89.8	Confident	89.1	Confident	167 Å²	167	69.6 Å²	69.6	77%	0.773	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.6	10.2	177.6	-51	-74.7	0	0	0	116.5	K506 I536	K506-H538 PolarHBondContact N-O 3.27Å; I536-H538 PolarHBondContact O-N 2.86Å
539	Q	94.3	Very high	87.4	Confident	56 Å²	56	66.3 Å²	66.3	26%	0.262	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	158.1	174.2	-66.8	-173.4	-4.5	0	0	112.3	V504 S534 I536 P537	V504-Q539 CarbonylContact O-C 3.23Å; V504-Q539 VanDerWaalsContact O-CA 3.3Å; V504-Q539 WeakPolarHBondContact O-CA 3.46Å; S534-Q539 WeakPolarHBondContact CB-O 3.33Å; S534-Q539 PolarHBondContact N-O 3.02Å; I536-Q539 HydrophobicContact CB-CB 4.38Å; I536-Q539 HydrophobicContact CB-CG 4.45Å; I536-Q539 HydrophobicContact CG2-CG 4.11Å; I536-Q539 PolarHBondContact O-N 3.22Å; P537-Q539 PolarHBondContact O-N 3.4Å; P537-Q539 VanDerWaalsContact O-N 3.13Å
540	V	95.1	Very high	85.2	Confident	2 Å²	2	65.3 Å²	65.3	1%	0.012	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	149.9	176.3	-61.3	0	0	0	0	110.2	R503 V504 K506 W509 Q527 V531 V532 Y542	R503-V540 WeakPolarHBondContact CA-O 3.21Å; V504-V540 HydrophobicContact CG2-CG2 3.88Å; V504-V540 PolarHBondContact N-O 3.48Å; V504-V540 PolarHBondContact O-N 3.15Å; K506-V540 HydrophobicContact CB-CG1 4.45Å; W509-V540 HydrophobicContact CB-CG2 3.65Å; W509-V540 HydrophobicContact CG-CG2 3.81Å; Q527-V540 HydrophobicContact CG-CG1 4.05Å; V531-V540 HydrophobicContact CG1-CB 4.08Å; V531-V540 HydrophobicContact CG1-CG1 4.05Å; V531-V540 HydrophobicContact CG1-CG2 4.39Å; V531-V540 HydrophobicContact CG2-CB 3.99Å; V531-V540 HydrophobicContact CG2-CG2 4.29Å; V532-V540 WeakPolarHBondContact O-CA 3.27Å; V540-Y542 PolarHBondContact O-N 3.04Å
541	E	95.6	Very high	82.5	Confident	59 Å²	59	70.1 Å²	70.1	28%	0.276	37%	0.369	S	S	.	.			trans	-88	87.4	175.3	-64.6	178	-173.4	0	0	108.6	G502 R503 V531 V532 L543 T544	G502-E541 WeakPolarHBondContact O-CA 3.38Å; R503-E541 HydrophobicContact CG-CG 4.41Å; V531-E541 VanDerWaalsContact CG2-O 3.26Å; V531-E541 WeakPolarHBondContact CG2-O 3.42Å; V532-E541 PolarHBondContact O-N 2.97Å; E541-L543 PolarHBondContact O-N 3.25Å; E541-L543 VanDerWaalsContact O-N 3.12Å; E541-T544 HydrophobicContact CB-CG2 3.72Å; E541-T544 WeakPolarHBondContact O-CB 3.49Å; E541-T544 WeakPolarHBondContact O-CG2 3.37Å; E541-T544 PolarHBondContact O-N 3.26Å; E541-T544 PolarHBondContact O-OG1 3.49Å
542	Y	93.9	Very high	79.9	Confident	1 Å²	1	77.5 Å²	77.5	0%	0.004	40%	0.397	C	S	.	.	G	3₁₀ helix	trans	-60.4	-30	-164.4	63	-98.4	0	0	0	113.8	F493 D497 G502 R503 V504 V540 T544 T545	F493-Y542 HydrophobicContact CB-CD1 4.26Å; F493-Y542 HydrophobicContact CB-CD2 3.4Å; F493-Y542 VanDerWaalsContact CB-CD2 3.4Å; F493-Y542 HydrophobicContact CB-CE1 4.39Å; F493-Y542 HydrophobicContact CB-CE2 3.59Å; F493-Y542 HydrophobicContact CB-CG 3.78Å; F493-Y542 HydrophobicContact CD1-CG 4.32Å; F493-Y542 AromaticContact CD2-CD2 3.79Å; F493-Y542 HydrophobicContact CD2-CD2 3.79Å; F493-Y542 HydrophobicContact CD2-CG 4.17Å; F493-Y542 AromaticContact CG-CD2 3.7Å; F493-Y542 HydrophobicContact CG-CD2 3.7Å; F493-Y542 HydrophobicContact CG-CE2 4.39Å; F493-Y542 AromaticContact CG-CG 3.84Å; F493-Y542 HydrophobicContact CG-CG 3.84Å; D497-Y542 HydrophobicContact CB-CE1 4Å; D497-Y542 WeakPolarHBondContact OD2-CE1 3.1Å; D497-Y542 PolarHBondContact OD2-OH 3.46Å; G502-Y542 VanDerWaalsContact C-CD1 3.42Å; G502-Y542 VanDerWaalsContact CA-CE1 3.5Å; G502-Y542 WeakPolarHBondContact O-CD1 3.35Å; G502-Y542 PolarHBondContact O-N 3.14Å; R503-Y542 VanDerWaalsContact N-CE1 3.25Å; V504-Y542 HydrophobicContact CB-CD1 4.44Å; V504-Y542 HydrophobicContact CG1-CD1 3.8Å; V504-Y542 HydrophobicContact CG1-CE1 4.15Å; V504-Y542 HydrophobicContact CG2-CD1 4.14Å; V540-Y542 PolarHBondContact O-N 3.04Å; Y542-T544 PolarHBondContact O-N 3.35Å; Y542-T545 WeakPolarHBondContact O-CB 3.47Å; Y542-T545 PolarHBondContact O-N 2.96Å; Y542-T545 VanDerWaalsContact O-N 3.07Å; Y542-T545 PolarHBondContact O-OG1 2.95Å
543	L	92.3	Very high	77.1	Confident	82 Å²	82	80.8 Å²	80.8	43%	0.429	41%	0.412	S	S	.	.	G	3₁₀ helix	trans	-62.8	-24.7	176.2	-66.4	176.1	0	0	0	112.8	E541 T545 F546	E541-L543 PolarHBondContact O-N 3.25Å; E541-L543 VanDerWaalsContact O-N 3.12Å; L543-T545 PolarHBondContact O-N 2.84Å; L543-F546 PolarHBondContact O-N 2.71Å
544	T	92.1	Very high	74.3	Confident	13 Å²	13	81.4 Å²	81.4	8%	0.08	41%	0.41	C	S	.	.	G	3₁₀ helix	trans	-68.1	-17.4	176.6	68.8	0	0	0	0	113	V531 V532 E541 Y542 F546 Q547	V531-T544 VanDerWaalsContact CG2-OG1 3.31Å; V531-T544 WeakPolarHBondContact CG2-OG1 3.43Å; V532-T544 HydrophobicContact CB-CG2 4.03Å; V532-T544 HydrophobicContact CG2-CG2 4.03Å; V532-T544 PolarHBondContact N-OG1 3.47Å; E541-T544 HydrophobicContact CB-CG2 3.72Å; E541-T544 WeakPolarHBondContact O-CB 3.49Å; E541-T544 WeakPolarHBondContact O-CG2 3.37Å; E541-T544 PolarHBondContact O-N 3.26Å; E541-T544 PolarHBondContact O-OG1 3.49Å; Y542-T544 PolarHBondContact O-N 3.35Å; T544-F546 PolarHBondContact O-N 3.48Å; T544-F546 VanDerWaalsContact O-N 3.13Å; T544-Q547 PolarHBondContact O-N 3.34Å
545	T	91.2	Very high	71.6	Confident	8 Å²	8	84.1 Å²	84.1	5%	0.049	43%	0.427	C	S	.	.	G	3₁₀ helix	trans	-53.4	-32.1	171.5	-49.8	0	0	0	0	111.3	I482 W509 M513 L530 V531 Y542 L543	I482-T545 HydrophobicContact CG2-CG2 3.87Å; W509-T545 HydrophobicContact CZ2-CG2 4.26Å; W509-T545 PolarHBondContact NE1-OG1 2.85Å; W509-T545 VanDerWaalsContact NE1-OG1 3.13Å; M513-T545 HydrophobicContact CE-CG2 4.41Å; M513-T545 HydrophobicContact SD-CG2 4.49Å; L530-T545 WeakPolarHBondContact O-CA 3.5Å; V531-T545 WeakPolarHBondContact CG2-OG1 3.15Å; Y542-T545 WeakPolarHBondContact O-CB 3.47Å; Y542-T545 PolarHBondContact O-N 2.96Å; Y542-T545 VanDerWaalsContact O-N 3.07Å; Y542-T545 PolarHBondContact O-OG1 2.95Å; L543-T545 PolarHBondContact O-N 2.84Å
546	F	87.8	Confident	69.3	Low	19 Å²	19	80.5 Å²	80.5	8%	0.083	43%	0.427	C	S	.	.	G	3₁₀ helix	trans	-100	-13.5	-173.6	-46.9	-71.5	0	0	0	114.6	I482 L489 K490 F493 L543 T544 K548 L549	I482-F546 HydrophobicContact CG2-CD1 4.5Å; I482-F546 HydrophobicContact CG2-CE1 4.27Å; L489-F546 HydrophobicContact CB-CE1 4.15Å; L489-F546 HydrophobicContact CB-CZ 3.79Å; L489-F546 HydrophobicContact CD1-CE1 4.1Å; L489-F546 HydrophobicContact CD1-CZ 4.44Å; K490-F546 HydrophobicContact CG-CD2 4.31Å; K490-F546 HydrophobicContact CG-CE2 3.68Å; K490-F546 HydrophobicContact CG-CZ 3.93Å; F493-F546 HydrophobicContact CD2-CE2 4.48Å; F493-F546 HydrophobicContact CD2-CZ 4.38Å; F493-F546 HydrophobicContact CE2-CZ 4.24Å; L543-F546 PolarHBondContact O-N 2.71Å; T544-F546 PolarHBondContact O-N 3.48Å; T544-F546 VanDerWaalsContact O-N 3.13Å; F546-K548 VanDerWaalsContact C-N 3.26Å; F546-K548 PolarHBondContact O-N 3.41Å; F546-K548 VanDerWaalsContact O-N 3.17Å; F546-L549 HydrophobicContact CB-CD1 4.42Å; F546-L549 HydrophobicContact CD1-CD1 4.01Å; F546-L549 WeakPolarHBondContact O-CB 3.48Å; F546-L549 PolarHBondContact O-N 3.16Å; F546-L549 VanDerWaalsContact O-N 3.11Å
547	Q	75.9	Confident	67	Low	128 Å²	128	86.6 Å²	86.6	60%	0.598	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-24.5	-171	-76.2	175.8	-6.7	0	0	114.8	T544	T544-Q547 PolarHBondContact O-N 3.34Å
548	K	59.5	Low	64.7	Low	165 Å²	165	84 Å²	84	72%	0.717	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.1	3.5	178.5	-70.2	-172.5	178.3	-178.9	0	113.8	F546	F546-K548 VanDerWaalsContact C-N 3.26Å; F546-K548 PolarHBondContact O-N 3.41Å; F546-K548 VanDerWaalsContact O-N 3.17Å
549	L	53.9	Low	62.7	Low	22 Å²	22	79.3 Å²	79.3	12%	0.115	42%	0.417	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-29.6	-173.9	-61.8	179.3	0	0	0	112.7	K479 I482 A483 F546 T551	K479-L549 HydrophobicContact CB-CD2 3.29Å; K479-L549 HydrophobicContact CD-CD2 4.1Å; K479-L549 HydrophobicContact CG-CD2 3.59Å; K479-L549 WeakPolarHBondContact O-CD2 3.45Å; I482-L549 HydrophobicContact CB-CD1 4.33Å; I482-L549 HydrophobicContact CG2-CD1 3.84Å; A483-L549 HydrophobicContact CB-CB 4Å; A483-L549 HydrophobicContact CB-CD1 3.86Å; A483-L549 HydrophobicContact CB-CD2 4.32Å; A483-L549 HydrophobicContact CB-CG 4.28Å; F546-L549 HydrophobicContact CB-CD1 4.42Å; F546-L549 HydrophobicContact CD1-CD1 4.01Å; F546-L549 WeakPolarHBondContact O-CB 3.48Å; F546-L549 PolarHBondContact O-N 3.16Å; F546-L549 VanDerWaalsContact O-N 3.11Å; L549-T551 PolarHBondContact O-N 3.44Å
550	T	42.3	Very low	60.7	Low	108 Å²	108	80.6 Å²	80.6	66%	0.663	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	0.9	-171.7	36.8	0	0	0	0	115.5	Y552	T550-Y552 VanDerWaalsContact C-N 3.34Å; T550-Y552 PolarHBondContact O-N 3.47Å
551	T	36.6	Very low	58.8	Low	114 Å²	114	82.5 Å²	82.5	70%	0.699	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81	-8	-175.9	-36	0	0	0	0	114.1	L549 N553	L549-T551 PolarHBondContact O-N 3.44Å; T551-N553 PolarHBondContact O-N 3.32Å
552	Y	37.4	Very low	56.7	Low	162 Å²	162	79.9 Å²	79.9	64%	0.635	43%	0.432	S	S	*	.	S	Bend	trans	-98.4	95.1	178.3	-72.9	-76.5	0	0	0	111.9	T550 T554	T550-Y552 VanDerWaalsContact C-N 3.34Å; T550-Y552 PolarHBondContact O-N 3.47Å; Y552-T554 PolarHBondContact O-N 2.97Å
553	N	34.7	Very low	54.8	Low	143 Å²	143	80.2 Å²	80.2	77%	0.765	43%	0.434	S	S	*	.			trans	34.3	57.8	155.3	-68.7	-12.6	0	0	0	117.1	T551 P555	T551-N553 PolarHBondContact O-N 3.32Å; N553-P555 VanDerWaalsContact O-CD 3.32Å; N553-P555 WeakPolarHBondContact O-CD 3.44Å
554	T	31.8	Very low	53.2	Low	77 Å²	77	77.4 Å²	77.4	47%	0.472	42%	0.419	S	S	.	.			trans	-74.7	117.7	158.7	-18	0	0	0	0	107.6	Y552 S556	Y552-T554 PolarHBondContact O-N 2.97Å; T554-S556 PolarHBondContact O-N 3.07Å
555	P	34.5	Very low	51.6	Low	70 Å²	70	80 Å²	80	46%	0.455	43%	0.43	S	S	.	.			trans	-58	127.8	168.1	-12.4	25	0	0	0	108	N553 K557	N553-P555 VanDerWaalsContact O-CD 3.32Å; N553-P555 WeakPolarHBondContact O-CD 3.44Å; P555-K557 PolarHBondContact O-N 3.08Å
556	S	40.6	Very low	50	Low	124 Å²	124	80.4 Å²	80.4	87%	0.867	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	17.3	-163.3	46.6	0	0	0	0	116.6	T554	T554-S556 PolarHBondContact O-N 3.07Å
557	K	41	Very low	48.7	Very low	199 Å²	199	85.4 Å²	85.4	87%	0.865	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-135.6	14.5	-174.5	-70	-166.9	175.6	-173.4	0	115.6	P555	P555-K557 PolarHBondContact O-N 3.08Å
558	V	38.8	Very low	48.1	Very low	45 Å²	45	80.2 Å²	80.2	27%	0.273	43%	0.426	S	S	.	.	S	Bend	trans	-117.3	139.2	-175.9	-166.6	0	0	0	0	111	V562 T563	V558-V562 HydrophobicContact CG1-CB 4.48Å; V558-T563 HydrophobicContact CB-CG2 3.83Å; V558-T563 HydrophobicContact CG1-CG2 3.63Å
559	P	48.4	Very low	48.4	Very low	68 Å²	68	76.6 Å²	76.6	44%	0.442	41%	0.411	S	S	.	.			trans	-55.9	142.5	170.8	-22.7	32.3	0	0	0	111.7	S561 T563	P559-S561 VanDerWaalsContact C-N 3.3Å; P559-S561 PolarHBondContact O-N 3.4Å; P559-T563 PolarHBondContact O-OG1 3.48Å
560	P	51.2	Low	49.1	Very low	84 Å²	84	80.6 Å²	80.6	55%	0.545	42%	0.424	S	S	.	.	H	α-helix	trans	-61.5	-33.8	-178.1	-23.2	33.7	0	0	0	114	V562 T563 E564	P560-V562 PolarHBondContact O-N 2.89Å; P560-T563 PolarHBondContact O-N 2.67Å; P560-T563 PolarHBondContact O-OG1 2.92Å; P560-T563 VanDerWaalsContact O-OG1 3.1Å; P560-E564 VanDerWaalsContact O-CB 3.3Å; P560-E564 WeakPolarHBondContact O-CB 3.47Å; P560-E564 VanDerWaalsContact O-CG 3.26Å; P560-E564 WeakPolarHBondContact O-CG 3.36Å; P560-E564 PolarHBondContact O-N 3.01Å
561	S	54.6	Low	50.3	Low	41 Å²	41	80.7 Å²	80.7	29%	0.287	42%	0.421	S	S	.	.	H	α-helix	trans	-56.7	-53.6	-177.5	46.2	0	0	0	0	111.7	P559 T563 E564 E565	P559-S561 VanDerWaalsContact C-N 3.3Å; P559-S561 PolarHBondContact O-N 3.4Å; S561-T563 PolarHBondContact O-N 3.46Å; S561-E564 WeakPolarHBondContact O-CB 3.43Å; S561-E564 PolarHBondContact O-N 2.91Å; S561-E565 PolarHBondContact O-N 2.93Å
562	V	51.4	Low	51.8	Low	5 Å²	5	76.7 Å²	76.7	3%	0.03	40%	0.396	C	S	.	.	H	α-helix	trans	-64.3	-41.9	-177.1	-170.4	0	0	0	0	112.6	V558 P560 M566 R636 E639	V558-V562 HydrophobicContact CG1-CB 4.48Å; P560-V562 PolarHBondContact O-N 2.89Å; V562-M566 VanDerWaalsContact O-CG 3.26Å; V562-M566 WeakPolarHBondContact O-CG 3.32Å; V562-M566 PolarHBondContact O-N 3.15Å; V562-R636 HydrophobicContact CG1-CB 3.87Å; V562-R636 HydrophobicContact CG1-CG 3.78Å; V562-E639 WeakPolarHBondContact CA-OE2 3.29Å; V562-E639 HydrophobicContact CG2-CB 3.92Å; V562-E639 WeakPolarHBondContact CG2-OE2 3.16Å
563	T	54.1	Low	53.5	Low	8 Å²	8	69.7 Å²	69.7	5%	0.049	37%	0.37	C	S	.	.	H	α-helix	trans	-68.2	-40.8	178	50.1	0	0	0	0	110.9	V558 P559 P560 S561 Y567	V558-T563 HydrophobicContact CB-CG2 3.83Å; V558-T563 HydrophobicContact CG1-CG2 3.63Å; P559-T563 PolarHBondContact O-OG1 3.48Å; P560-T563 PolarHBondContact O-N 2.67Å; P560-T563 PolarHBondContact O-OG1 2.92Å; P560-T563 VanDerWaalsContact O-OG1 3.1Å; S561-T563 PolarHBondContact O-N 3.46Å; T563-Y567 WeakPolarHBondContact O-CD2 3.44Å; T563-Y567 PolarHBondContact O-N 3.3Å; T563-Y567 VanDerWaalsContact O-N 3.1Å
564	E	60.2	Low	55.5	Low	23 Å²	23	64 Å²	64	11%	0.107	34%	0.338	C	S	.	.	H	α-helix	trans	-58.5	-51.2	175.3	-79	177.8	-163.4	0	0	111.7	A484 S486 T487 P560 S561 M566 Y567 K568	A484-E564 WeakPolarHBondContact O-CB 3.28Å; S486-E564 WeakPolarHBondContact CB-OE1 3.38Å; S486-E564 PolarHBondContact N-OE2 2.77Å; S486-E564 PolarHBondContact OG-OE1 2.61Å; S486-E564 PolarHBondContact OG-OE2 3.03Å; T487-E564 WeakPolarHBondContact CB-OE2 3.39Å; T487-E564 PolarHBondContact N-OE2 3.38Å; T487-E564 PolarHBondContact OG1-OE2 3.44Å; P560-E564 VanDerWaalsContact O-CB 3.3Å; P560-E564 WeakPolarHBondContact O-CB 3.47Å; P560-E564 VanDerWaalsContact O-CG 3.26Å; P560-E564 WeakPolarHBondContact O-CG 3.36Å; P560-E564 PolarHBondContact O-N 3.01Å; S561-E564 WeakPolarHBondContact O-CB 3.43Å; S561-E564 PolarHBondContact O-N 2.91Å; E564-M566 PolarHBondContact O-N 3.45Å; E564-Y567 PolarHBondContact O-N 2.88Å; E564-Y567 VanDerWaalsContact O-N 3.13Å; E564-K568 WeakPolarHBondContact O-CG 3.25Å; E564-K568 PolarHBondContact O-N 2.91Å
565	E	59	Low	57.5	Low	67 Å²	67	60.3 Å²	60.3	31%	0.313	32%	0.316	S	S	.	.	H	α-helix	trans	-57.1	-46.7	-179.6	-138.6	75.8	-164	0	0	111.9	S561 Y567 K568 F569	S561-E565 PolarHBondContact O-N 2.93Å; E565-Y567 VanDerWaalsContact C-N 3.34Å; E565-Y567 PolarHBondContact O-N 2.92Å; E565-K568 WeakPolarHBondContact O-CB 3.2Å; E565-K568 PolarHBondContact O-N 3.43Å; E565-K568 IonicContact OE1-NZ 3.76Å; E565-K568 IonicContact OE2-NZ 2.78Å; E565-K568 PolarHBondContact OE2-NZ 3.22Å; E565-F569 HydrophobicContact CG-CE2 4.38Å; E565-F569 VanDerWaalsContact O-CD2 3.31Å; E565-F569 WeakPolarHBondContact O-CD2 3.28Å; E565-F569 PolarHBondContact O-N 3.25Å
566	M	56.9	Low	59.4	Low	16 Å²	16	58 Å²	58	8%	0.079	30%	0.3	C	S	.	.	H	α-helix	trans	-62.1	-40.4	177.3	-68.4	175.5	81	0	0	112.9	V562 E564 R570 L632 R636	V562-M566 VanDerWaalsContact O-CG 3.26Å; V562-M566 WeakPolarHBondContact O-CG 3.32Å; V562-M566 PolarHBondContact O-N 3.15Å; E564-M566 PolarHBondContact O-N 3.45Å; M566-R570 WeakPolarHBondContact O-CA 3.25Å; M566-R570 WeakPolarHBondContact O-CB 3.19Å; M566-R570 PolarHBondContact O-N 3.22Å; M566-L632 HydrophobicContact CE-CB 3.48Å; M566-L632 VanDerWaalsContact CE-CB 3.48Å; M566-L632 HydrophobicContact CE-CD1 4.4Å; M566-L632 HydrophobicContact CE-CD2 3.99Å; M566-L632 HydrophobicContact CE-CG 4.16Å; M566-L632 WeakPolarHBondContact CE-O 3.2Å; M566-R636 HydrophobicContact CE-CG 3.88Å; M566-R636 HydrophobicContact SD-CG 3.18Å; M566-R636 WeakPolarHBondContact SD-CG 3.47Å; M566-R636 PolarHBondContact SD-NE 3.5Å
567	Y	60.3	Low	61.3	Low	124 Å²	124	52.5 Å²	52.5	49%	0.486	26%	0.26	S	S	.	.	H	α-helix	trans	-71.7	-32.9	178.1	-79.1	-65.4	0	0	0	112	T563 E564 E565 F569	T563-Y567 WeakPolarHBondContact O-CD2 3.44Å; T563-Y567 PolarHBondContact O-N 3.3Å; T563-Y567 VanDerWaalsContact O-N 3.1Å; E564-Y567 PolarHBondContact O-N 2.88Å; E564-Y567 VanDerWaalsContact O-N 3.13Å; E565-Y567 VanDerWaalsContact C-N 3.34Å; E565-Y567 PolarHBondContact O-N 2.92Å; Y567-F569 VanDerWaalsContact C-N 3.29Å; Y567-F569 PolarHBondContact O-N 3Å
568	K	63.8	Low	63.3	Low	20 Å²	20	43.6 Å²	43.6	9%	0.087	22%	0.221	C	C	.	.	H	α-helix	trans	-58.2	-42.1	174.8	-72.2	172.3	-159.8	166.3	0	111.6	A484 Y485 E488 E564 E565	A484-K568 HydrophobicContact CB-CB 4.47Å; A484-K568 HydrophobicContact CB-CG 3.7Å; A484-K568 WeakPolarHBondContact O-CE 3.44Å; A484-K568 WeakPolarHBondContact O-CG 3.07Å; Y485-K568 HydrophobicContact CD1-CD 4.32Å; Y485-K568 HydrophobicContact CD2-CG 4.2Å; Y485-K568 HydrophobicContact CE1-CD 4.19Å; Y485-K568 HydrophobicContact CE2-CD 4.45Å; Y485-K568 HydrophobicContact CE2-CG 3.96Å; E488-K568 WeakPolarHBondContact OE1-CE 3.07Å; E488-K568 IonicContact OE1-NZ 2.62Å; E488-K568 PolarHBondContact OE1-NZ 3.45Å; E488-K568 IonicContact OE2-NZ 3.08Å; E488-K568 PolarHBondContact OE2-NZ 2.67Å; E488-K568 VanDerWaalsContact OE2-NZ 3.08Å; E564-K568 WeakPolarHBondContact O-CG 3.25Å; E564-K568 PolarHBondContact O-N 2.91Å; E565-K568 WeakPolarHBondContact O-CB 3.2Å; E565-K568 PolarHBondContact O-N 3.43Å; E565-K568 IonicContact OE1-NZ 3.76Å; E565-K568 IonicContact OE2-NZ 2.78Å; E565-K568 PolarHBondContact OE2-NZ 3.22Å
569	F	64.9	Low	65	Low	88 Å²	88	42 Å²	42	39%	0.386	21%	0.212	S	C	.	.	H	α-helix	trans	-109.5	8.9	-171.7	-59.7	-69.1	0	0	0	114.1	E565 Y567 D571 V572 L573	E565-F569 HydrophobicContact CG-CE2 4.38Å; E565-F569 VanDerWaalsContact O-CD2 3.31Å; E565-F569 WeakPolarHBondContact O-CD2 3.28Å; E565-F569 PolarHBondContact O-N 3.25Å; Y567-F569 VanDerWaalsContact C-N 3.29Å; Y567-F569 PolarHBondContact O-N 3Å; F569-D571 VanDerWaalsContact C-N 3.33Å; F569-D571 PolarHBondContact O-N 3.38Å; F569-V572 CarbonylContact O-C 3.59Å; F569-V572 WeakPolarHBondContact O-CA 3.5Å; F569-V572 WeakPolarHBondContact O-CB 3.29Å; F569-V572 PolarHBondContact O-N 3.42Å; F569-L573 HydrophobicContact CB-CD1 4.34Å; F569-L573 HydrophobicContact CB-CG 4.25Å; F569-L573 WeakPolarHBondContact O-CG 3.36Å; F569-L573 PolarHBondContact O-N 3.14Å
570	R	69.5	Low	66.5	Low	106 Å²	106	39.6 Å²	39.6	40%	0.4	20%	0.195	S	C	.	.	H	α-helix	trans	-50.7	-48	-174	-176.2	-178.3	179.8	166.6	8	113.9	M566 V572 L573 E574	M566-R570 WeakPolarHBondContact O-CA 3.25Å; M566-R570 WeakPolarHBondContact O-CB 3.19Å; M566-R570 PolarHBondContact O-N 3.22Å; R570-V572 VanDerWaalsContact C-N 3.31Å; R570-V572 PolarHBondContact O-N 3.15Å; R570-L573 PolarHBondContact O-N 2.98Å; R570-E574 WeakPolarHBondContact O-CB 3.47Å; R570-E574 PolarHBondContact O-N 3.45Å
571	D	66.9	Low	68	Low	111 Å²	111	35.7 Å²	35.7	59%	0.594	17%	0.17	S	C	*	.	H	α-helix	trans	-67.7	-35.8	-178	-61.9	-30.9	0	0	0	111.4	F569 E574 G575	F569-D571 VanDerWaalsContact C-N 3.33Å; F569-D571 PolarHBondContact O-N 3.38Å; D571-E574 PolarHBondContact O-N 3.4Å; D571-G575 PolarHBondContact O-N 2.86Å
572	V	67.9	Low	69.2	Low	30 Å²	30	37.9 Å²	37.9	18%	0.182	17%	0.174	C	C	.	.	H	α-helix	trans	-65.7	-45.8	173.9	-178.2	0	0	0	0	110	L87 F569 R570 G575 I576	L87-V572 HydrophobicContact CD1-CG1 4.25Å; L87-V572 HydrophobicContact CD1-CG2 4.44Å; L87-V572 HydrophobicContact CD2-CG1 3.79Å; L87-V572 HydrophobicContact CG-CG1 4.16Å; F569-V572 CarbonylContact O-C 3.59Å; F569-V572 WeakPolarHBondContact O-CA 3.5Å; F569-V572 WeakPolarHBondContact O-CB 3.29Å; F569-V572 PolarHBondContact O-N 3.42Å; R570-V572 VanDerWaalsContact C-N 3.31Å; R570-V572 PolarHBondContact O-N 3.15Å; V572-G575 CarbonylContact O-C 3.48Å; V572-G575 WeakPolarHBondContact O-CA 3.47Å; V572-G575 PolarHBondContact O-N 3.43Å; V572-I576 HydrophobicContact CG1-CD1 4.06Å; V572-I576 VanDerWaalsContact O-CG1 3.29Å; V572-I576 WeakPolarHBondContact O-CG1 3.14Å; V572-I576 PolarHBondContact O-N 2.92Å
573	L	72.5	Confident	70.5	Confident	15 Å²	15	41.5 Å²	41.5	8%	0.079	19%	0.193	C	C	.	.	H	α-helix	trans	-65	-38.1	177	-68.5	173.2	0	0	0	112	F569 R570 G575 I576 F577 F631 L632 F635	F569-L573 HydrophobicContact CB-CD1 4.34Å; F569-L573 HydrophobicContact CB-CG 4.25Å; F569-L573 WeakPolarHBondContact O-CG 3.36Å; F569-L573 PolarHBondContact O-N 3.14Å; R570-L573 PolarHBondContact O-N 2.98Å; L573-G575 VanDerWaalsContact C-N 3.33Å; L573-I576 HydrophobicContact CD2-CD1 4.37Å; L573-I576 PolarHBondContact O-N 2.9Å; L573-F577 WeakPolarHBondContact O-CB 3.45Å; L573-F577 PolarHBondContact O-N 2.92Å; L573-F631 HydrophobicContact CB-CE1 4.48Å; L573-F631 HydrophobicContact CD2-CE1 4.38Å; L573-L632 HydrophobicContact CB-CD2 4.24Å; L573-L632 HydrophobicContact CD1-CD2 3.72Å; L573-F635 HydrophobicContact CD2-CD2 4.33Å; L573-F635 HydrophobicContact CD2-CE1 4.17Å; L573-F635 HydrophobicContact CD2-CE2 3.83Å; L573-F635 HydrophobicContact CD2-CZ 3.74Å
574	E	77.9	Confident	71.8	Confident	23 Å²	23	41.8 Å²	41.8	11%	0.107	20%	0.195	C	C	.	.	H	α-helix	trans	-65.7	-39.3	173.5	-167.9	169	169.6	0	0	110.7	K279 R570 D571 F577 R578 F628	K279-E574 WeakPolarHBondContact CE-OE1 3.43Å; K279-E574 IonicContact NZ-OE1 3.82Å; K279-E574 PolarHBondContact NZ-OE1 2.81Å; K279-E574 IonicContact NZ-OE2 2.76Å; K279-E574 PolarHBondContact NZ-OE2 2.73Å; R570-E574 WeakPolarHBondContact O-CB 3.47Å; R570-E574 PolarHBondContact O-N 3.45Å; D571-E574 PolarHBondContact O-N 3.4Å; E574-F577 PolarHBondContact O-N 3.15Å; E574-R578 WeakPolarHBondContact O-CB 3.37Å; E574-R578 WeakPolarHBondContact O-CD 3.18Å; E574-R578 VanDerWaalsContact O-CG 3.27Å; E574-R578 WeakPolarHBondContact O-CG 2.98Å; E574-R578 PolarHBondContact O-N 3.36Å; E574-R578 IonicContact OE1-CZ 3.23Å; E574-R578 IonicContact OE1-NE 3.99Å; E574-R578 IonicContact OE1-NH2 3.33Å; E574-R578 PolarHBondContact OE1-NH2 3.27Å; E574-F628 VanDerWaalsContact CA-CE2 3.45Å; E574-F628 HydrophobicContact CB-CE1 4.35Å; E574-F628 HydrophobicContact CB-CE2 3.86Å; E574-F628 HydrophobicContact CB-CZ 3.62Å; E574-F628 HydrophobicContact CG-CE1 4.42Å; E574-F628 HydrophobicContact CG-CE2 4.23Å; E574-F628 HydrophobicContact CG-CZ 4.08Å
575	G	74.1	Confident	72.9	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-60.3	-44.5	170.5	0	0	0	0	0	112.7	F91 C273 D571 V572 L573 R578 A579	F91-G575 WeakPolarHBondContact CZ-O 3.25Å; C273-G575 WeakPolarHBondContact O-CA 3.07Å; D571-G575 PolarHBondContact O-N 2.86Å; V572-G575 CarbonylContact O-C 3.48Å; V572-G575 WeakPolarHBondContact O-CA 3.47Å; V572-G575 PolarHBondContact O-N 3.43Å; L573-G575 VanDerWaalsContact C-N 3.33Å; G575-R578 PolarHBondContact O-N 2.84Å; G575-A579 WeakPolarHBondContact O-CB 3.11Å; G575-A579 PolarHBondContact O-N 3.31Å
576	I	74.1	Confident	74.1	Confident	22 Å²	22	40.9 Å²	40.9	11%	0.113	20%	0.2	C	C	.	.	H	α-helix	trans	-63.1	-47.2	176.7	-66.2	161.6	0	0	0	111.7	L87 L90 F91 V572 L573 R578 A579 M580 F631	L87-I576 HydrophobicContact CD2-CG1 4.09Å; L90-I576 HydrophobicContact CD2-CD1 3.55Å; L90-I576 HydrophobicContact CD2-CG1 3.75Å; F91-I576 HydrophobicContact CE1-CB 4.3Å; F91-I576 HydrophobicContact CE1-CG1 3.9Å; F91-I576 HydrophobicContact CZ-CG1 4.41Å; V572-I576 HydrophobicContact CG1-CD1 4.06Å; V572-I576 VanDerWaalsContact O-CG1 3.29Å; V572-I576 WeakPolarHBondContact O-CG1 3.14Å; V572-I576 PolarHBondContact O-N 2.92Å; L573-I576 HydrophobicContact CD2-CD1 4.37Å; L573-I576 PolarHBondContact O-N 2.9Å; I576-R578 VanDerWaalsContact C-N 3.28Å; I576-R578 PolarHBondContact O-N 3.03Å; I576-A579 PolarHBondContact O-N 2.84Å; I576-A579 VanDerWaalsContact O-N 3.12Å; I576-M580 HydrophobicContact CG2-CE 3.51Å; I576-M580 HydrophobicContact CG2-CG 4.3Å; I576-M580 HydrophobicContact CG2-SD 3.99Å; I576-M580 WeakPolarHBondContact O-CG 3.02Å; I576-M580 PolarHBondContact O-N 2.86Å; I576-F631 HydrophobicContact CG2-CZ 4.12Å
577	F	81	Confident	75.6	Confident	7 Å²	7	45 Å²	45	3%	0.031	22%	0.215	C	C	.	.	H	α-helix	trans	-54.4	-47.6	176.1	178.6	-88.6	0	0	0	111.2	L573 E574 A579 M580 D581 I588 I626 F628 F631	L573-F577 WeakPolarHBondContact O-CB 3.45Å; L573-F577 PolarHBondContact O-N 2.92Å; E574-F577 PolarHBondContact O-N 3.15Å; F577-A579 VanDerWaalsContact C-N 3.34Å; F577-A579 PolarHBondContact O-N 2.97Å; F577-M580 PolarHBondContact O-N 3.23Å; F577-D581 WeakPolarHBondContact O-CB 3.5Å; F577-D581 PolarHBondContact O-N 3.38Å; F577-I588 HydrophobicContact CB-CD1 4.49Å; F577-I588 HydrophobicContact CD2-CD1 3.3Å; F577-I588 HydrophobicContact CD2-CG1 3.87Å; F577-I588 HydrophobicContact CE2-CD1 3.58Å; F577-I588 HydrophobicContact CE2-CG1 3.66Å; F577-I588 HydrophobicContact CG-CD1 3.98Å; F577-I588 HydrophobicContact CG-CG1 4.47Å; F577-I588 HydrophobicContact CZ-CD1 4.43Å; F577-I588 HydrophobicContact CZ-CG1 4.09Å; F577-I626 WeakPolarHBondContact CE2-O 3.29Å; F577-F628 HydrophobicContact CB-CD2 3.74Å; F577-F628 HydrophobicContact CB-CE2 4.07Å; F577-F628 HydrophobicContact CD1-CB 4.38Å; F577-F628 HydrophobicContact CD1-CD2 4.14Å; F577-F628 HydrophobicContact CD2-CB 4.28Å; F577-F628 AromaticContact CD2-CD2 3.85Å; F577-F628 HydrophobicContact CD2-CD2 3.85Å; F577-F628 HydrophobicContact CE1-CB 4.22Å; F577-F628 HydrophobicContact CE2-CB 4.11Å; F577-F628 HydrophobicContact CG-CB 4.41Å; F577-F628 AromaticContact CG-CD2 3.64Å; F577-F628 HydrophobicContact CG-CD2 3.64Å; F577-F628 HydrophobicContact CG-CE2 4.45Å; F577-F628 HydrophobicContact CG-CG 4.47Å; F577-F628 HydrophobicContact CZ-CB 4.08Å; F577-F631 HydrophobicContact CB-CD1 4.16Å; F577-F631 HydrophobicContact CB-CE1 4.24Å; F577-F631 HydrophobicContact CD2-CB 3.79Å; F577-F631 HydrophobicContact CD2-CD1 4.01Å; F577-F631 HydrophobicContact CD2-CD2 4.41Å; F577-F631 AromaticContact CD2-CG 3.82Å; F577-F631 HydrophobicContact CD2-CG 3.82Å; F577-F631 HydrophobicContact CE2-CB 4.12Å
578	R	81.6	Confident	76.9	Confident	13 Å²	13	39.1 Å²	39.1	5%	0.049	19%	0.191	C	C	.	.	H	α-helix	trans	-66.2	-32.3	178.7	-72	168.2	-176.9	-56.2	-19.8	113.6	C273 K279 E574 G575 I576	C273-R578 HydrophobicContact CB-CB 4.23Å; C273-R578 WeakPolarHBondContact O-CD 3.45Å; K279-R578 VanDerWaalsContact CB-NH2 3.26Å; K279-R578 VanDerWaalsContact N-NH1 3.17Å; E574-R578 WeakPolarHBondContact O-CB 3.37Å; E574-R578 WeakPolarHBondContact O-CD 3.18Å; E574-R578 VanDerWaalsContact O-CG 3.27Å; E574-R578 WeakPolarHBondContact O-CG 2.98Å; E574-R578 PolarHBondContact O-N 3.36Å; E574-R578 IonicContact OE1-CZ 3.23Å; E574-R578 IonicContact OE1-NE 3.99Å; E574-R578 IonicContact OE1-NH2 3.33Å; E574-R578 PolarHBondContact OE1-NH2 3.27Å; G575-R578 PolarHBondContact O-N 2.84Å; I576-R578 VanDerWaalsContact C-N 3.28Å; I576-R578 PolarHBondContact O-N 3.03Å
579	A	75.2	Confident	78	Confident	11 Å²	11	39.6 Å²	39.6	9%	0.091	20%	0.198	C	C	.	.	H	α-helix	trans	-77.1	-27.5	177.1	0	0	0	0	0	113.3	F91 G575 I576 F577 K582	F91-A579 HydrophobicContact CD1-CB 3.31Å; F91-A579 HydrophobicContact CD2-CB 4.24Å; F91-A579 HydrophobicContact CE1-CB 3.23Å; F91-A579 HydrophobicContact CE2-CB 4.11Å; F91-A579 HydrophobicContact CG-CB 3.86Å; F91-A579 HydrophobicContact CZ-CB 3.61Å; G575-A579 WeakPolarHBondContact O-CB 3.11Å; G575-A579 PolarHBondContact O-N 3.31Å; I576-A579 PolarHBondContact O-N 2.84Å; I576-A579 VanDerWaalsContact O-N 3.12Å; F577-A579 VanDerWaalsContact C-N 3.34Å; F577-A579 PolarHBondContact O-N 2.97Å; A579-K582 PolarHBondContact O-NZ 2.87Å
580	M	80.2	Confident	78.9	Confident	18 Å²	18	36.9 Å²	36.9	9%	0.089	19%	0.187	C	C	.	.	H	α-helix	trans	-76	-36.6	173.2	-70.8	-178.3	175.8	0	0	112.2	L94 I576 F577 K582 I588 A596 F631	L94-M580 HydrophobicContact CD1-CE 4.39Å; I576-M580 HydrophobicContact CG2-CE 3.51Å; I576-M580 HydrophobicContact CG2-CG 4.3Å; I576-M580 HydrophobicContact CG2-SD 3.99Å; I576-M580 WeakPolarHBondContact O-CG 3.02Å; I576-M580 PolarHBondContact O-N 2.86Å; F577-M580 PolarHBondContact O-N 3.23Å; M580-K582 VanDerWaalsContact C-N 3.33Å; M580-K582 PolarHBondContact O-N 2.84Å; M580-I588 HydrophobicContact CB-CD1 3.73Å; M580-I588 HydrophobicContact CB-CG1 4.22Å; M580-I588 HydrophobicContact SD-CD1 4.18Å; M580-A596 HydrophobicContact CB-CB 4.32Å; M580-A596 HydrophobicContact CE-CB 3.94Å; M580-A596 HydrophobicContact CG-CB 3.69Å; M580-A596 HydrophobicContact SD-CB 3.87Å; M580-F631 HydrophobicContact SD-CE2 3.98Å; M580-F631 HydrophobicContact SD-CZ 4.23Å
581	D	81.3	Confident	79.6	Confident	1 Å²	1	36.3 Å²	36.3	1%	0.005	19%	0.192	C	C	.	.			trans	-67.3	82.1	172.9	177.4	9.7	0	0	0	110.7	Q282 F577 N584 S585 G586 I588	Q282-D581 PolarHBondContact NE2-OD2 3.16Å; F577-D581 WeakPolarHBondContact O-CB 3.5Å; F577-D581 PolarHBondContact O-N 3.38Å; D581-N584 VanDerWaalsContact CG-CA 3.43Å; D581-N584 PolarHBondContact O-N 2.96Å; D581-N584 VanDerWaalsContact O-N 3.15Å; D581-N584 PolarHBondContact O-ND2 3.34Å; D581-N584 WeakPolarHBondContact OD1-CA 3.44Å; D581-N584 PolarHBondContact OD1-N 2.93Å; D581-N584 WeakPolarHBondContact OD2-CA 3.37Å; D581-S585 PolarHBondContact OD1-N 3.46Å; D581-S585 PolarHBondContact OD1-OG 3.41Å; D581-S585 PolarHBondContact OD2-N 3.22Å; D581-G586 WeakPolarHBondContact OD2-CA 3.42Å; D581-G586 PolarHBondContact OD2-N 2.96Å; D581-I588 HydrophobicContact CB-CG1 4.28Å
582	K	79.9	Confident	80.4	Confident	87 Å²	87	32 Å²	32	38%	0.378	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-34.2	-172	-69.1	-59.2	178.4	-155.9	0	111.9	A579 M580 N584 E592	A579-K582 PolarHBondContact O-NZ 2.87Å; M580-K582 VanDerWaalsContact C-N 3.33Å; M580-K582 PolarHBondContact O-N 2.84Å; K582-N584 VanDerWaalsContact C-N 3.27Å; K582-N584 PolarHBondContact O-ND2 3.16Å; K582-E592 HydrophobicContact CB-CG 4.45Å; K582-E592 PolarHBondContact N-OE1 2.98Å
583	D	80.1	Confident	81.1	Confident	81 Å²	81	31.1 Å²	31.1	43%	0.433	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-5.5	174.5	78.6	0.8	0	0	0	113.3	G290 S585 E592	G290-D583 WeakPolarHBondContact CA-O 3.3Å; D583-S585 PolarHBondContact O-N 3.15Å; D583-S585 WeakPolarHBondContact OD1-CB 3.18Å; D583-S585 PolarHBondContact OD1-N 3.47Å; D583-S585 PolarHBondContact OD1-OG 2.89Å; D583-E592 PolarHBondContact N-OE1 3.07Å; D583-E592 VanDerWaalsContact N-OE1 3.15Å
584	N	81	Confident	81.4	Confident	15 Å²	15	31.9 Å²	31.9	8%	0.08	16%	0.164	C	C	.	.			trans	55.6	31.7	-178.7	-72.1	-98	0	0	0	112.8	Q282 V293 D581 K582 G586	Q282-N584 WeakPolarHBondContact CG-O 3.27Å; Q282-N584 PolarHBondContact NE2-O 2.86Å; V293-N584 HydrophobicContact CB-CB 4.38Å; V293-N584 HydrophobicContact CG2-CB 4.27Å; D581-N584 VanDerWaalsContact CG-CA 3.43Å; D581-N584 PolarHBondContact O-N 2.96Å; D581-N584 VanDerWaalsContact O-N 3.15Å; D581-N584 PolarHBondContact O-ND2 3.34Å; D581-N584 WeakPolarHBondContact OD1-CA 3.44Å; D581-N584 PolarHBondContact OD1-N 2.93Å; D581-N584 WeakPolarHBondContact OD2-CA 3.37Å; K582-N584 VanDerWaalsContact C-N 3.27Å; K582-N584 PolarHBondContact O-ND2 3.16Å; N584-G586 PolarHBondContact O-N 2.9Å
585	S	83.4	Confident	81.4	Confident	60 Å²	60	33.8 Å²	33.8	42%	0.42	17%	0.174	S	C	.	.	S	Bend	trans	-68.3	-17.8	177.6	62.3	0	0	0	0	113.4	D581 D583 R587	D581-S585 PolarHBondContact OD1-N 3.46Å; D581-S585 PolarHBondContact OD1-OG 3.41Å; D581-S585 PolarHBondContact OD2-N 3.22Å; D583-S585 PolarHBondContact O-N 3.15Å; D583-S585 WeakPolarHBondContact OD1-CB 3.18Å; D583-S585 PolarHBondContact OD1-N 3.47Å; D583-S585 PolarHBondContact OD1-OG 2.89Å; S585-R587 PolarHBondContact OG-N 3.43Å; S585-R587 PolarHBondContact OG-O 3.29Å; S585-R587 VanDerWaalsContact OG-O 3.06Å
586	G	84.2	Confident	81.3	Confident	11 Å²	11	34.1 Å²	34.1	11%	0.113	18%	0.176	C	C	.	.	S	Bend	trans	86.8	15.2	-171.3	0	0	0	0	0	113.1	D581 N584	D581-G586 WeakPolarHBondContact OD2-CA 3.42Å; D581-G586 PolarHBondContact OD2-N 2.96Å; N584-G586 PolarHBondContact O-N 2.9Å
587	R	88.4	Confident	81.1	Confident	102 Å²	102	33.6 Å²	33.6	39%	0.385	17%	0.174	S	C	.	.	S	Bend	trans	-143.9	151.7	178.6	-63.8	-64.4	-174.8	-99.9	13.5	108.3	S585 L625 D627	S585-R587 PolarHBondContact OG-N 3.43Å; S585-R587 PolarHBondContact OG-O 3.29Å; S585-R587 VanDerWaalsContact OG-O 3.06Å; R587-L625 HydrophobicContact CB-CB 4.08Å; R587-L625 HydrophobicContact CB-CD1 4.45Å; R587-L625 HydrophobicContact CG-CB 4.38Å; R587-L625 HydrophobicContact CG-CD1 4.46Å; R587-D627 VanDerWaalsContact CD-CB 3.42Å; R587-D627 VanDerWaalsContact NE-CB 3.34Å; R587-D627 IonicContact NH2-OD2 3.23Å
588	I	86.5	Confident	80.5	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	114.2	173.8	-59.4	171	0	0	0	107.6	F577 M580 D581 E592 F593 I626 F631	F577-I588 HydrophobicContact CB-CD1 4.49Å; F577-I588 HydrophobicContact CD2-CD1 3.3Å; F577-I588 HydrophobicContact CD2-CG1 3.87Å; F577-I588 HydrophobicContact CE2-CD1 3.58Å; F577-I588 HydrophobicContact CE2-CG1 3.66Å; F577-I588 HydrophobicContact CG-CD1 3.98Å; F577-I588 HydrophobicContact CG-CG1 4.47Å; F577-I588 HydrophobicContact CZ-CD1 4.43Å; F577-I588 HydrophobicContact CZ-CG1 4.09Å; M580-I588 HydrophobicContact CB-CD1 3.73Å; M580-I588 HydrophobicContact CB-CG1 4.22Å; M580-I588 HydrophobicContact SD-CD1 4.18Å; D581-I588 HydrophobicContact CB-CG1 4.28Å; I588-E592 HydrophobicContact CG2-CB 3.73Å; I588-F593 HydrophobicContact CG2-CB 3.81Å; I588-I626 HydrophobicContact CB-CB 4.28Å; I588-I626 PolarHBondContact N-O 3.03Å; I588-I626 PolarHBondContact O-N 2.98Å; I588-F631 HydrophobicContact CD1-CD2 4.24Å; I588-F631 HydrophobicContact CD1-CE2 4.48Å
589	S	87.6	Confident	79.6	Confident	31 Å²	31	36.2 Å²	36.2	22%	0.217	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	155.7	172.1	63.9	0	0	0	0	111.6	N591 E592 F593	S589-N591 PolarHBondContact O-N 3.42Å; S589-N591 VanDerWaalsContact O-N 3.1Å; S589-E592 WeakPolarHBondContact CB-OE2 3.2Å; S589-E592 PolarHBondContact N-OE2 3.43Å; S589-E592 PolarHBondContact O-N 3.28Å; S589-E592 WeakPolarHBondContact OG-CB 3.23Å; S589-E592 VanDerWaalsContact OG-CG 3.25Å; S589-E592 WeakPolarHBondContact OG-CG 3.34Å; S589-E592 PolarHBondContact OG-N 3.09Å; S589-E592 PolarHBondContact OG-OE2 3.31Å; S589-F593 PolarHBondContact O-N 2.97Å
590	L	84.7	Confident	78.9	Confident	31 Å²	31	38 Å²	38	16%	0.162	19%	0.194	C	C	.	.	H	α-helix	trans	-54.4	-34.6	176.7	-58.4	-179.5	0	0	0	112.4	K594 M612 A615 R616 G624	L590-K594 VanDerWaalsContact O-CB 3.26Å; L590-K594 WeakPolarHBondContact O-CB 3.31Å; L590-K594 PolarHBondContact O-N 3.34Å; L590-M612 HydrophobicContact CB-CE 3.94Å; L590-M612 HydrophobicContact CB-SD 4.21Å; L590-M612 HydrophobicContact CD1-CE 4.33Å; L590-A615 HydrophobicContact CB-CB 4.47Å; L590-A615 HydrophobicContact CD2-CB 3.61Å; L590-R616 HydrophobicContact CD1-CG 3.93Å; L590-R616 HydrophobicContact CD2-CG 4.49Å; L590-G624 PolarHBondContact N-O 3.48Å
591	N	82.5	Confident	77.7	Confident	94 Å²	94	40.8 Å²	40.8	50%	0.503	21%	0.214	S	C	.	.	H	α-helix	trans	-71.6	-41.1	176.6	-170.6	58.4	0	0	0	112	S589 F593 K594 Q595	S589-N591 PolarHBondContact O-N 3.42Å; S589-N591 VanDerWaalsContact O-N 3.1Å; N591-F593 VanDerWaalsContact C-N 3.33Å; N591-K594 PolarHBondContact O-N 2.84Å; N591-Q595 VanDerWaalsContact O-CB 3.23Å; N591-Q595 WeakPolarHBondContact O-CB 3.18Å; N591-Q595 WeakPolarHBondContact O-CG 3.4Å; N591-Q595 PolarHBondContact O-N 3.42Å
592	E	84.5	Confident	76.5	Confident	21 Å²	21	49.9 Å²	49.9	10%	0.098	25%	0.253	C	S	.	.	H	α-helix	trans	-62.6	-41.6	173.6	-75	165.3	134.9	0	0	111.8	K582 D583 I588 S589 Q595 A596	K582-E592 HydrophobicContact CB-CG 4.45Å; K582-E592 PolarHBondContact N-OE1 2.98Å; D583-E592 PolarHBondContact N-OE1 3.07Å; D583-E592 VanDerWaalsContact N-OE1 3.15Å; I588-E592 HydrophobicContact CG2-CB 3.73Å; S589-E592 WeakPolarHBondContact CB-OE2 3.2Å; S589-E592 PolarHBondContact N-OE2 3.43Å; S589-E592 PolarHBondContact O-N 3.28Å; S589-E592 WeakPolarHBondContact OG-CB 3.23Å; S589-E592 VanDerWaalsContact OG-CG 3.25Å; S589-E592 WeakPolarHBondContact OG-CG 3.34Å; S589-E592 PolarHBondContact OG-N 3.09Å; S589-E592 PolarHBondContact OG-OE2 3.31Å; E592-Q595 PolarHBondContact O-N 2.91Å; E592-A596 VanDerWaalsContact O-CB 3.24Å; E592-A596 WeakPolarHBondContact O-CB 3.4Å; E592-A596 PolarHBondContact O-N 2.66Å
593	F	82.9	Confident	75.1	Confident	10 Å²	10	49.5 Å²	49.5	4%	0.044	25%	0.249	C	C	.	.	H	α-helix	trans	-62.2	-49.9	174.7	-174.1	-88.7	0	0	0	111.1	I588 S589 N591 Q595 A596 C597 V611 M614 A615 I618 I626	I588-F593 HydrophobicContact CG2-CB 3.81Å; S589-F593 PolarHBondContact O-N 2.97Å; N591-F593 VanDerWaalsContact C-N 3.33Å; F593-Q595 VanDerWaalsContact C-N 3.31Å; F593-Q595 PolarHBondContact O-N 3.45Å; F593-A596 PolarHBondContact O-N 2.92Å; F593-C597 WeakPolarHBondContact CE1-SG 3.46Å; F593-C597 WeakPolarHBondContact CZ-SG 3.27Å; F593-C597 WeakPolarHBondContact O-CB 3.42Å; F593-C597 PolarHBondContact O-N 3.16Å; F593-V611 HydrophobicContact CD1-CG1 4.41Å; F593-V611 HydrophobicContact CE1-CG1 4.42Å; F593-M614 HydrophobicContact CE1-CG 4.4Å; F593-A615 HydrophobicContact CB-CB 4.37Å; F593-A615 HydrophobicContact CD1-CB 3.51Å; F593-A615 HydrophobicContact CE1-CB 4.06Å; F593-A615 HydrophobicContact CG-CB 4.12Å; F593-I618 HydrophobicContact CE1-CD1 4.04Å; F593-I618 HydrophobicContact CE2-CD1 3.67Å; F593-I618 HydrophobicContact CZ-CD1 3.31Å; F593-I626 HydrophobicContact CB-CD1 3.95Å; F593-I626 HydrophobicContact CD2-CD1 3.6Å; F593-I626 HydrophobicContact CE2-CD1 4.24Å; F593-I626 HydrophobicContact CG-CD1 3.78Å
594	K	79.1	Confident	73.9	Confident	31 Å²	31	49.3 Å²	49.3	14%	0.135	25%	0.252	C	S	.	.	H	α-helix	trans	-53.3	-51.8	175.3	174	-170.7	169.6	-178.5	0	110.8	L590 N591 A596 C597 L598 E608 V611 M612	L590-K594 VanDerWaalsContact O-CB 3.26Å; L590-K594 WeakPolarHBondContact O-CB 3.31Å; L590-K594 PolarHBondContact O-N 3.34Å; N591-K594 PolarHBondContact O-N 2.84Å; K594-A596 PolarHBondContact O-N 3.46Å; K594-C597 PolarHBondContact O-N 3.36Å; K594-L598 HydrophobicContact CD-CD1 4.24Å; K594-L598 VanDerWaalsContact CE-CD1 3.48Å; K594-L598 HydrophobicContact CG-CD1 3.64Å; K594-L598 HydrophobicContact CG-CG 4.25Å; K594-L598 WeakPolarHBondContact O-CB 3.46Å; K594-L598 VanDerWaalsContact O-CG 3.27Å; K594-L598 WeakPolarHBondContact O-CG 3.44Å; K594-L598 PolarHBondContact O-N 2.94Å; K594-E608 VanDerWaalsContact CE-OE1 3.27Å; K594-E608 WeakPolarHBondContact CE-OE1 3.42Å; K594-E608 WeakPolarHBondContact CE-OE2 3.47Å; K594-E608 IonicContact NZ-OE1 3Å; K594-E608 PolarHBondContact NZ-OE1 3.25Å; K594-E608 VanDerWaalsContact NZ-OE1 3.09Å; K594-E608 IonicContact NZ-OE2 3.18Å; K594-E608 PolarHBondContact NZ-OE2 2.95Å; K594-V611 HydrophobicContact CB-CG1 4.34Å; K594-V611 HydrophobicContact CG-CG1 4.42Å; K594-M612 HydrophobicContact CB-CG 4.47Å; K594-M612 HydrophobicContact CB-SD 3.8Å; K594-M612 HydrophobicContact CD-CG 3.95Å; K594-M612 HydrophobicContact CD-SD 3.87Å; K594-M612 HydrophobicContact CG-CG 4.39Å; K594-M612 HydrophobicContact CG-SD 4.25Å
595	Q	76.1	Confident	72.7	Confident	64 Å²	64	58.1 Å²	58.1	30%	0.299	29%	0.289	S	S	.	.	H	α-helix	trans	-56.7	-53.5	179.1	-75	-68.4	-30.5	0	0	109.8	N591 E592 F593 C597 L598 R599	N591-Q595 VanDerWaalsContact O-CB 3.23Å; N591-Q595 WeakPolarHBondContact O-CB 3.18Å; N591-Q595 WeakPolarHBondContact O-CG 3.4Å; N591-Q595 PolarHBondContact O-N 3.42Å; E592-Q595 PolarHBondContact O-N 2.91Å; F593-Q595 VanDerWaalsContact C-N 3.31Å; F593-Q595 PolarHBondContact O-N 3.45Å; Q595-C597 PolarHBondContact O-N 3Å; Q595-L598 PolarHBondContact O-N 3.11Å; Q595-R599 VanDerWaalsContact C-CD 3.45Å; Q595-R599 WeakPolarHBondContact O-CD 3.42Å; Q595-R599 WeakPolarHBondContact O-CG 3.27Å; Q595-R599 PolarHBondContact O-N 3.09Å; Q595-R599 VanDerWaalsContact O-N 3.13Å; Q595-R599 PolarHBondContact O-NE 3.4Å
596	A	73.8	Confident	71.6	Confident	7 Å²	7	57.8 Å²	57.8	6%	0.058	28%	0.282	C	S	.	.	H	α-helix	trans	-55	-46.7	178	0	0	0	0	0	113.1	L94 M580 E592 F593 K594 R599	L94-A596 WeakPolarHBondContact CD2-O 3.37Å; M580-A596 HydrophobicContact CB-CB 4.32Å; M580-A596 HydrophobicContact CE-CB 3.94Å; M580-A596 HydrophobicContact CG-CB 3.69Å; M580-A596 HydrophobicContact SD-CB 3.87Å; E592-A596 VanDerWaalsContact O-CB 3.24Å; E592-A596 WeakPolarHBondContact O-CB 3.4Å; E592-A596 PolarHBondContact O-N 2.66Å; F593-A596 PolarHBondContact O-N 2.92Å; K594-A596 PolarHBondContact O-N 3.46Å; A596-R599 WeakPolarHBondContact O-CB 3.27Å; A596-R599 PolarHBondContact O-N 2.9Å
597	C	69.6	Low	70.9	Confident	11 Å²	11	61.9 Å²	61.9	7%	0.074	30%	0.301	C	S	.	.	H	α-helix	trans	-68.1	-45.4	179.6	-74.4	0	0	0	0	112.7	F593 K594 Q595 R599 L600 W603 V611	F593-C597 WeakPolarHBondContact CE1-SG 3.46Å; F593-C597 WeakPolarHBondContact CZ-SG 3.27Å; F593-C597 WeakPolarHBondContact O-CB 3.42Å; F593-C597 PolarHBondContact O-N 3.16Å; K594-C597 PolarHBondContact O-N 3.36Å; Q595-C597 PolarHBondContact O-N 3Å; C597-R599 PolarHBondContact O-N 3.22Å; C597-R599 VanDerWaalsContact O-N 3.13Å; C597-L600 WeakPolarHBondContact O-CB 3.15Å; C597-L600 PolarHBondContact O-N 3.14Å; C597-W603 VanDerWaalsContact O-CB 3.27Å; C597-W603 WeakPolarHBondContact O-CB 3.34Å; C597-V611 HydrophobicContact CB-CG1 3.52Å
598	L	67.5	Low	70.4	Confident	33 Å²	33	61.8 Å²	61.8	17%	0.173	31%	0.305	C	S	.	.	H	α-helix	trans	-62.4	-21	177.7	-70.7	175.6	0	0	0	112.6	K594 Q595 T604 E608 V611	K594-L598 HydrophobicContact CD-CD1 4.24Å; K594-L598 VanDerWaalsContact CE-CD1 3.48Å; K594-L598 HydrophobicContact CG-CD1 3.64Å; K594-L598 HydrophobicContact CG-CG 4.25Å; K594-L598 WeakPolarHBondContact O-CB 3.46Å; K594-L598 VanDerWaalsContact O-CG 3.27Å; K594-L598 WeakPolarHBondContact O-CG 3.44Å; K594-L598 PolarHBondContact O-N 2.94Å; Q595-L598 PolarHBondContact O-N 3.11Å; L598-T604 VanDerWaalsContact O-CG2 3.3Å; L598-T604 WeakPolarHBondContact O-CG2 3.43Å; L598-E608 HydrophobicContact CD1-CG 4.03Å; L598-V611 HydrophobicContact CD2-CG2 4.05Å
599	R	63	Low	69.7	Low	41 Å²	41	66.4 Å²	66.4	16%	0.155	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-15.8	174.9	-67.7	150.4	-172.8	-136	4.5	114	L94 A98 Q595 A596 C597	L94-R599 HydrophobicContact CD2-CB 4.18Å; L94-R599 WeakPolarHBondContact O-CB 3.14Å; L94-R599 WeakPolarHBondContact O-CD 3.32Å; L94-R599 WeakPolarHBondContact O-CG 3.41Å; A98-R599 HydrophobicContact CB-CG 3.96Å; Q595-R599 VanDerWaalsContact C-CD 3.45Å; Q595-R599 WeakPolarHBondContact O-CD 3.42Å; Q595-R599 WeakPolarHBondContact O-CG 3.27Å; Q595-R599 PolarHBondContact O-N 3.09Å; Q595-R599 VanDerWaalsContact O-N 3.13Å; Q595-R599 PolarHBondContact O-NE 3.4Å; A596-R599 WeakPolarHBondContact O-CB 3.27Å; A596-R599 PolarHBondContact O-N 2.9Å; C597-R599 PolarHBondContact O-N 3.22Å; C597-R599 VanDerWaalsContact O-N 3.13Å
600	L	60.9	Low	69	Low	48 Å²	48	69.2 Å²	69.2	25%	0.251	34%	0.338	S	S	.	.	S	Bend	trans	-74.8	133.8	179	-71.3	169.8	0	0	0	110.8	L94 C597 K602 W603 T604	L94-L600 HydrophobicContact CD2-CD2 3.46Å; L94-L600 VanDerWaalsContact CD2-CD2 3.46Å; L94-L600 HydrophobicContact CD2-CG 3.63Å; L94-L600 HydrophobicContact CG-CD2 4.14Å; C597-L600 WeakPolarHBondContact O-CB 3.15Å; C597-L600 PolarHBondContact O-N 3.14Å; L600-K602 PolarHBondContact O-N 3.33Å; L600-W603 HydrophobicContact CB-CB 4.32Å; L600-W603 HydrophobicContact CB-CG 4.4Å; L600-W603 PolarHBondContact O-N 3.48Å; L600-T604 PolarHBondContact O-N 2.78Å
601	P	54	Low	68.4	Low	78 Å²	78	67.7 Å²	67.7	51%	0.506	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-33.2	-173	-27.2	32	0	0	0	115	T604	P601-T604 PolarHBondContact O-OG1 2.82Å
602	K	56.6	Low	68.1	Low	192 Å²	192	65.3 Å²	65.3	84%	0.835	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-17.5	179.6	-72.2	-176.2	177.4	-178.4	0	113.7	L600	L600-K602 PolarHBondContact O-N 3.33Å
603	W	51.5	Low	67.6	Low	78 Å²	78	67.6 Å²	67.6	30%	0.295	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.3	-6.9	-168.3	-68.2	72.7	0	0	0	114	C597 L600 K605 I606 V611 M614	C597-W603 VanDerWaalsContact O-CB 3.27Å; C597-W603 WeakPolarHBondContact O-CB 3.34Å; L600-W603 HydrophobicContact CB-CB 4.32Å; L600-W603 HydrophobicContact CB-CG 4.4Å; L600-W603 PolarHBondContact O-N 3.48Å; W603-K605 PolarHBondContact O-N 3.38Å; W603-I606 HydrophobicContact CB-CD1 4.08Å; W603-I606 HydrophobicContact CD2-CD1 3.5Å; W603-I606 VanDerWaalsContact CD2-CD1 3.5Å; W603-I606 HydrophobicContact CE3-CD1 3.23Å; W603-I606 HydrophobicContact CE3-CG1 4.46Å; W603-I606 HydrophobicContact CG-CD1 3.9Å; W603-I606 HydrophobicContact CZ3-CD1 3.8Å; W603-I606 WeakPolarHBondContact O-CB 3.29Å; W603-I606 PolarHBondContact O-N 3.15Å; W603-V611 HydrophobicContact CE3-CG2 4.44Å; W603-M614 HydrophobicContact CH2-CE 3.68Å; W603-M614 HydrophobicContact CH2-SD 3.78Å; W603-M614 HydrophobicContact CZ3-CE 3.88Å; W603-M614 HydrophobicContact CZ3-SD 3.86Å
604	T	53.4	Low	67.1	Low	78 Å²	78	70.1 Å²	70.1	48%	0.479	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-19.6	178.4	52.6	0	0	0	0	114.5	L598 L600 P601	L598-T604 VanDerWaalsContact O-CG2 3.3Å; L598-T604 WeakPolarHBondContact O-CG2 3.43Å; L600-T604 PolarHBondContact O-N 2.78Å; P601-T604 PolarHBondContact O-OG1 2.82Å
605	K	56.7	Low	67	Low	200 Å²	200	68.7 Å²	68.7	87%	0.87	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.2	-1.9	178.5	-66.1	-174.3	179.3	-179.2	0	114.4	W603	W603-K605 PolarHBondContact O-N 3.38Å
606	I	60.8	Low	67.1	Low	52 Å²	52	70.7 Å²	70.7	27%	0.267	34%	0.341	S	S	.	.	S	Bend	trans	-83.6	139.6	-177.7	-65.4	172.4	0	0	0	108.5	W603 E608 I610 V611	W603-I606 HydrophobicContact CB-CD1 4.08Å; W603-I606 HydrophobicContact CD2-CD1 3.5Å; W603-I606 VanDerWaalsContact CD2-CD1 3.5Å; W603-I606 HydrophobicContact CE3-CD1 3.23Å; W603-I606 HydrophobicContact CE3-CG1 4.46Å; W603-I606 HydrophobicContact CG-CD1 3.9Å; W603-I606 HydrophobicContact CZ3-CD1 3.8Å; W603-I606 WeakPolarHBondContact O-CB 3.29Å; W603-I606 PolarHBondContact O-N 3.15Å; I606-E608 PolarHBondContact O-N 3.2Å; I606-I610 HydrophobicContact CG2-CB 3.83Å; I606-I610 HydrophobicContact CG2-CD1 4.24Å; I606-I610 HydrophobicContact CG2-CG2 3.86Å; I606-V611 HydrophobicContact CB-CG2 4.5Å; I606-V611 HydrophobicContact CG2-CG2 3.98Å
607	D	68.9	Low	67.2	Low	98 Å²	98	74 Å²	74	52%	0.524	36%	0.364	S	S	.	.			trans	-55.3	128.8	175.3	-173.3	-20.3	0	0	0	109.8	Q609 I610 V611	D607-Q609 PolarHBondContact O-N 3.15Å; D607-Q609 VanDerWaalsContact O-N 3.08Å; D607-Q609 WeakPolarHBondContact OD1-CB 3.47Å; D607-Q609 PolarHBondContact OD1-N 3.45Å; D607-I610 HydrophobicContact CB-CB 4.49Å; D607-I610 HydrophobicContact CB-CD1 3.81Å; D607-I610 HydrophobicContact CB-CG1 3.97Å; D607-I610 WeakPolarHBondContact O-CB 3.31Å; D607-I610 PolarHBondContact O-N 3.38Å; D607-V611 PolarHBondContact O-N 2.81Å
608	E	76.8	Confident	67.7	Low	99 Å²	99	73.8 Å²	73.8	46%	0.463	36%	0.362	S	S	.	.	H	α-helix	trans	-52	-33.2	177.5	-61.7	-162.8	137.2	0	0	112.1	K594 L598 I606 V611 M612	K594-E608 VanDerWaalsContact CE-OE1 3.27Å; K594-E608 WeakPolarHBondContact CE-OE1 3.42Å; K594-E608 WeakPolarHBondContact CE-OE2 3.47Å; K594-E608 IonicContact NZ-OE1 3Å; K594-E608 PolarHBondContact NZ-OE1 3.25Å; K594-E608 VanDerWaalsContact NZ-OE1 3.09Å; K594-E608 IonicContact NZ-OE2 3.18Å; K594-E608 PolarHBondContact NZ-OE2 2.95Å; L598-E608 HydrophobicContact CD1-CG 4.03Å; I606-E608 PolarHBondContact O-N 3.2Å; E608-V611 PolarHBondContact O-N 3.41Å; E608-M612 WeakPolarHBondContact O-CG 3.41Å; E608-M612 PolarHBondContact O-N 2.88Å
609	Q	72.1	Confident	68.4	Low	97 Å²	97	72.5 Å²	72.5	45%	0.453	36%	0.355	S	S	.	.	H	α-helix	trans	-65.4	-38.6	178.3	-172.5	58.6	39.3	0	0	111.7	D607 M612 D613	D607-Q609 PolarHBondContact O-N 3.15Å; D607-Q609 VanDerWaalsContact O-N 3.08Å; D607-Q609 WeakPolarHBondContact OD1-CB 3.47Å; D607-Q609 PolarHBondContact OD1-N 3.45Å; Q609-M612 PolarHBondContact O-N 2.86Å; Q609-D613 PolarHBondContact NE2-OD1 3.12Å; Q609-D613 WeakPolarHBondContact O-CB 3.44Å; Q609-D613 PolarHBondContact O-N 3.13Å
610	I	73.2	Confident	69.2	Low	90 Å²	90	75.8 Å²	75.8	46%	0.462	38%	0.375	S	S	.	.	H	α-helix	trans	-65	-42.4	176.9	-64.2	170.4	0	0	0	110.2	I606 D607 M612 D613 M614	I606-I610 HydrophobicContact CG2-CB 3.83Å; I606-I610 HydrophobicContact CG2-CD1 4.24Å; I606-I610 HydrophobicContact CG2-CG2 3.86Å; D607-I610 HydrophobicContact CB-CB 4.49Å; D607-I610 HydrophobicContact CB-CD1 3.81Å; D607-I610 HydrophobicContact CB-CG1 3.97Å; D607-I610 WeakPolarHBondContact O-CB 3.31Å; D607-I610 PolarHBondContact O-N 3.38Å; I610-M612 VanDerWaalsContact C-N 3.33Å; I610-M612 PolarHBondContact O-N 2.81Å; I610-D613 PolarHBondContact O-N 3.23Å; I610-M614 WeakPolarHBondContact O-CB 3.27Å; I610-M614 PolarHBondContact O-N 2.89Å
611	V	71.9	Confident	70.3	Confident	0 Å²	0	77.4 Å²	77.4	0%	0	38%	0.384	C	S	.	.	H	α-helix	trans	-64.8	-40.2	177.3	-177.6	0	0	0	0	110.9	F593 K594 C597 L598 W603 I606 D607 E608 M614 A615	F593-V611 HydrophobicContact CD1-CG1 4.41Å; F593-V611 HydrophobicContact CE1-CG1 4.42Å; K594-V611 HydrophobicContact CB-CG1 4.34Å; K594-V611 HydrophobicContact CG-CG1 4.42Å; C597-V611 HydrophobicContact CB-CG1 3.52Å; L598-V611 HydrophobicContact CD2-CG2 4.05Å; W603-V611 HydrophobicContact CE3-CG2 4.44Å; I606-V611 HydrophobicContact CB-CG2 4.5Å; I606-V611 HydrophobicContact CG2-CG2 3.98Å; D607-V611 PolarHBondContact O-N 2.81Å; E608-V611 PolarHBondContact O-N 3.41Å; V611-M614 WeakPolarHBondContact O-CB 3.5Å; V611-M614 PolarHBondContact O-N 3.04Å; V611-A615 WeakPolarHBondContact O-CB 3.45Å; V611-A615 PolarHBondContact O-N 2.71Å
612	M	76.5	Confident	71.8	Confident	44 Å²	44	81.9 Å²	81.9	22%	0.217	40%	0.395	C	S	.	.	H	α-helix	trans	-68.6	-36	175.4	-74.4	-67.7	-70.6	0	0	112.9	L590 K594 E608 Q609 I610 M614 A615 R616	L590-M612 HydrophobicContact CB-CE 3.94Å; L590-M612 HydrophobicContact CB-SD 4.21Å; L590-M612 HydrophobicContact CD1-CE 4.33Å; K594-M612 HydrophobicContact CB-CG 4.47Å; K594-M612 HydrophobicContact CB-SD 3.8Å; K594-M612 HydrophobicContact CD-CG 3.95Å; K594-M612 HydrophobicContact CD-SD 3.87Å; K594-M612 HydrophobicContact CG-CG 4.39Å; K594-M612 HydrophobicContact CG-SD 4.25Å; E608-M612 WeakPolarHBondContact O-CG 3.41Å; E608-M612 PolarHBondContact O-N 2.88Å; Q609-M612 PolarHBondContact O-N 2.86Å; I610-M612 VanDerWaalsContact C-N 3.33Å; I610-M612 PolarHBondContact O-N 2.81Å; M612-M614 VanDerWaalsContact C-N 3.34Å; M612-A615 PolarHBondContact O-N 2.89Å; M612-R616 WeakPolarHBondContact O-CB 3.29Å; M612-R616 WeakPolarHBondContact O-CG 3.25Å; M612-R616 PolarHBondContact O-N 3.48Å
613	D	75.2	Confident	73.3	Confident	69 Å²	69	76.9 Å²	76.9	37%	0.369	38%	0.378	S	S	.	.	H	α-helix	trans	-66.7	-39.1	174.3	-69	-18.3	0	0	0	110.5	Q609 I610 R616 S617	Q609-D613 PolarHBondContact NE2-OD1 3.12Å; Q609-D613 WeakPolarHBondContact O-CB 3.44Å; Q609-D613 PolarHBondContact O-N 3.13Å; I610-D613 PolarHBondContact O-N 3.23Å; D613-R616 PolarHBondContact O-N 2.91Å; D613-R616 IonicContact OD1-CZ 3.03Å; D613-R616 IonicContact OD1-NH1 3.55Å; D613-R616 PolarHBondContact OD1-NH1 3.46Å; D613-R616 IonicContact OD1-NH2 2.61Å; D613-R616 PolarHBondContact OD1-NH2 2.87Å; D613-S617 PolarHBondContact O-N 2.87Å
614	M	72.3	Confident	74.9	Confident	63 Å²	63	74.4 Å²	74.4	31%	0.31	38%	0.376	S	S	.	.	H	α-helix	trans	-61.7	-50.1	171.4	-177.4	169.8	-67.6	0	0	111.2	F593 W603 I610 V611 M612 R616 S617 I618	F593-M614 HydrophobicContact CE1-CG 4.4Å; W603-M614 HydrophobicContact CH2-CE 3.68Å; W603-M614 HydrophobicContact CH2-SD 3.78Å; W603-M614 HydrophobicContact CZ3-CE 3.88Å; W603-M614 HydrophobicContact CZ3-SD 3.86Å; I610-M614 WeakPolarHBondContact O-CB 3.27Å; I610-M614 PolarHBondContact O-N 2.89Å; V611-M614 WeakPolarHBondContact O-CB 3.5Å; V611-M614 PolarHBondContact O-N 3.04Å; M612-M614 VanDerWaalsContact C-N 3.34Å; M614-R616 PolarHBondContact O-N 3.13Å; M614-S617 WeakPolarHBondContact O-CA 3.3Å; M614-S617 WeakPolarHBondContact O-CB 3.48Å; M614-S617 PolarHBondContact O-N 3.06Å; M614-S617 PolarHBondContact O-OG 3.06Å; M614-I618 HydrophobicContact CG-CD1 4.01Å; M614-I618 WeakPolarHBondContact O-CG1 3.31Å; M614-I618 PolarHBondContact O-N 3.43Å
615	A	76.4	Confident	76.6	Confident	0 Å²	0	73.9 Å²	73.9	0%	0	37%	0.37	C	S	.	.	H	α-helix	trans	-54.6	-42	176	0	0	0	0	0	112.1	L590 F593 V611 M612 S617 I618 D619 I626	L590-A615 HydrophobicContact CB-CB 4.47Å; L590-A615 HydrophobicContact CD2-CB 3.61Å; F593-A615 HydrophobicContact CB-CB 4.37Å; F593-A615 HydrophobicContact CD1-CB 3.51Å; F593-A615 HydrophobicContact CE1-CB 4.06Å; F593-A615 HydrophobicContact CG-CB 4.12Å; V611-A615 WeakPolarHBondContact O-CB 3.45Å; V611-A615 PolarHBondContact O-N 2.71Å; M612-A615 PolarHBondContact O-N 2.89Å; A615-S617 VanDerWaalsContact C-N 3.33Å; A615-S617 PolarHBondContact O-N 2.67Å; A615-I618 PolarHBondContact O-N 3.09Å; A615-D619 PolarHBondContact O-N 3.27Å; A615-D619 VanDerWaalsContact O-N 3.07Å; A615-I626 HydrophobicContact CB-CD1 4.38Å
616	R	77.7	Confident	78	Confident	107 Å²	107	64.3 Å²	64.3	40%	0.404	33%	0.328	S	S	.	.	H	α-helix	trans	-69	-24.8	175.9	-79.9	-175.6	-100.1	118.3	4.3	114.4	L590 M612 D613 M614	L590-R616 HydrophobicContact CD1-CG 3.93Å; L590-R616 HydrophobicContact CD2-CG 4.49Å; M612-R616 WeakPolarHBondContact O-CB 3.29Å; M612-R616 WeakPolarHBondContact O-CG 3.25Å; M612-R616 PolarHBondContact O-N 3.48Å; D613-R616 PolarHBondContact O-N 2.91Å; D613-R616 IonicContact OD1-CZ 3.03Å; D613-R616 IonicContact OD1-NH1 3.55Å; D613-R616 PolarHBondContact OD1-NH1 3.46Å; D613-R616 IonicContact OD1-NH2 2.61Å; D613-R616 PolarHBondContact OD1-NH2 2.87Å; M614-R616 PolarHBondContact O-N 3.13Å
617	S	77.2	Confident	79.3	Confident	76 Å²	76	63.1 Å²	63.1	53%	0.531	32%	0.322	S	S	.	.	H	α-helix	trans	-77.6	-29.6	172.6	71.3	0	0	0	0	112.9	D613 M614 A615	D613-S617 PolarHBondContact O-N 2.87Å; M614-S617 WeakPolarHBondContact O-CA 3.3Å; M614-S617 WeakPolarHBondContact O-CB 3.48Å; M614-S617 PolarHBondContact O-N 3.06Å; M614-S617 PolarHBondContact O-OG 3.06Å; A615-S617 VanDerWaalsContact C-N 3.33Å; A615-S617 PolarHBondContact O-N 2.67Å
618	I	79.6	Confident	79.9	Confident	6 Å²	6	59.9 Å²	59.9	3%	0.031	30%	0.304	C	S	.	.	H	α-helix	trans	-76.4	-37.7	178.3	-65.3	168.3	0	0	0	110.9	F593 M614 A615 I620 I626 E630 T634	F593-I618 HydrophobicContact CE1-CD1 4.04Å; F593-I618 HydrophobicContact CE2-CD1 3.67Å; F593-I618 HydrophobicContact CZ-CD1 3.31Å; M614-I618 HydrophobicContact CG-CD1 4.01Å; M614-I618 WeakPolarHBondContact O-CG1 3.31Å; M614-I618 PolarHBondContact O-N 3.43Å; A615-I618 PolarHBondContact O-N 3.09Å; I618-I620 VanDerWaalsContact C-N 3.25Å; I618-I620 WeakPolarHBondContact O-CG1 3.24Å; I618-I620 PolarHBondContact O-N 2.91Å; I618-I626 HydrophobicContact CB-CD1 4.2Å; I618-I626 HydrophobicContact CG2-CB 4.48Å; I618-I626 HydrophobicContact CG2-CD1 3.91Å; I618-I626 HydrophobicContact CG2-CG1 4.01Å; I618-I626 HydrophobicContact CG2-CG2 3.67Å; I618-E630 HydrophobicContact CG2-CB 4.37Å; I618-E630 WeakPolarHBondContact O-CB 3.37Å; I618-T634 HydrophobicContact CD1-CG2 3.42Å; I618-T634 VanDerWaalsContact CD1-CG2 3.42Å; I618-T634 WeakPolarHBondContact CD1-OG1 3.46Å; I618-T634 HydrophobicContact CG1-CG2 3.7Å; I618-T634 WeakPolarHBondContact CG1-OG1 3.3Å; I618-T634 WeakPolarHBondContact CG2-OG1 3.27Å
619	D	81.3	Confident	80.1	Confident	6 Å²	6	60 Å²	60	3%	0.032	31%	0.308	C	S	.	.			trans	-69.4	79.9	172.7	177.6	11.7	0	0	0	110.7	A615 N621 K622 D623 G624 I626	A615-D619 PolarHBondContact O-N 3.27Å; A615-D619 VanDerWaalsContact O-N 3.07Å; D619-N621 VanDerWaalsContact C-N 3.29Å; D619-N621 PolarHBondContact O-N 3.19Å; D619-K622 VanDerWaalsContact CG-CA 3.48Å; D619-K622 PolarHBondContact O-N 3.22Å; D619-K622 VanDerWaalsContact OD1-CA 3.22Å; D619-K622 WeakPolarHBondContact OD1-CA 3.32Å; D619-K622 PolarHBondContact OD1-N 3.49Å; D619-K622 VanDerWaalsContact OD2-CA 3.31Å; D619-K622 WeakPolarHBondContact OD2-CA 3.37Å; D619-D623 PolarHBondContact OD1-N 3.46Å; D619-D623 PolarHBondContact OD2-N 2.98Å; D619-G624 WeakPolarHBondContact OD2-CA 3.41Å; D619-G624 PolarHBondContact OD2-N 3.07Å; D619-I626 HydrophobicContact CB-CG1 4.39Å
620	I	80.3	Confident	80.6	Confident	111 Å²	111	56 Å²	56	57%	0.569	29%	0.289	S	S	*	.	S	Bend	trans	-61.7	-40.5	-175.7	-64.6	171	0	0	0	110.5	I618 K622 E630 E633	I618-I620 VanDerWaalsContact C-N 3.25Å; I618-I620 WeakPolarHBondContact O-CG1 3.24Å; I618-I620 PolarHBondContact O-N 2.91Å; I620-K622 VanDerWaalsContact C-N 3.34Å; I620-E630 HydrophobicContact CB-CG 4.46Å; I620-E630 HydrophobicContact CD1-CG 4.47Å; I620-E630 PolarHBondContact N-OE1 3.42Å; I620-E633 HydrophobicContact CD1-CB 4.2Å; I620-E633 HydrophobicContact CD1-CG 4.1Å
621	N	84.1	Confident	81	Confident	82 Å²	82	52 Å²	52	44%	0.439	27%	0.268	S	S	.	.	S	Bend	trans	-81.9	-15.1	-176.5	82.3	53.8	0	0	0	112.9	D619 D623 E630	D619-N621 VanDerWaalsContact C-N 3.29Å; D619-N621 PolarHBondContact O-N 3.19Å; N621-D623 WeakPolarHBondContact OD1-CB 3.09Å; N621-D623 PolarHBondContact OD1-N 3.45Å; N621-D623 PolarHBondContact OD1-OD1 3.31Å; N621-D623 PolarHBondContact OD1-OD2 2.9Å; N621-E630 PolarHBondContact N-OE1 3.27Å; N621-E630 PolarHBondContact ND2-OE1 2.87Å
622	K	84.8	Confident	81	Confident	171 Å²	171	52.9 Å²	52.9	74%	0.743	27%	0.273	S	S	*	.			trans	65	34.2	176.8	-56	-177.1	179.6	-178.3	0	114.3	D619 I620 G624	D619-K622 VanDerWaalsContact CG-CA 3.48Å; D619-K622 PolarHBondContact O-N 3.22Å; D619-K622 VanDerWaalsContact OD1-CA 3.22Å; D619-K622 WeakPolarHBondContact OD1-CA 3.32Å; D619-K622 PolarHBondContact OD1-N 3.49Å; D619-K622 VanDerWaalsContact OD2-CA 3.31Å; D619-K622 WeakPolarHBondContact OD2-CA 3.37Å; I620-K622 VanDerWaalsContact C-N 3.34Å; K622-G624 VanDerWaalsContact C-N 3.32Å
623	D	88	Confident	80.7	Confident	88 Å²	88	53.8 Å²	53.8	47%	0.471	28%	0.276	S	S	.	.	S	Bend	trans	-86.7	-3.2	174.7	71.7	4.7	0	0	0	113.4	D619 N621 L625	D619-D623 PolarHBondContact OD1-N 3.46Å; D619-D623 PolarHBondContact OD2-N 2.98Å; N621-D623 WeakPolarHBondContact OD1-CB 3.09Å; N621-D623 PolarHBondContact OD1-N 3.45Å; N621-D623 PolarHBondContact OD1-OD1 3.31Å; N621-D623 PolarHBondContact OD1-OD2 2.9Å; D623-L625 WeakPolarHBondContact OD1-CA 3.21Å; D623-L625 WeakPolarHBondContact OD1-CB 3.31Å; D623-L625 PolarHBondContact OD1-N 3.34Å
624	G	86	Confident	80.2	Confident	25 Å²	25	51.6 Å²	51.6	26%	0.258	27%	0.265	S	S	.	.	S	Bend	trans	84.7	6.5	-177.9	0	0	0	0	0	114	L590 D619 K622	L590-G624 PolarHBondContact N-O 3.48Å; D619-G624 WeakPolarHBondContact OD2-CA 3.41Å; D619-G624 PolarHBondContact OD2-N 3.07Å; K622-G624 VanDerWaalsContact C-N 3.32Å
625	L	89.4	Confident	79.7	Confident	67 Å²	67	52.7 Å²	52.7	35%	0.351	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	121.8	-175.6	-61.5	177.6	0	0	0	110.4	R587 D623 D627	R587-L625 HydrophobicContact CB-CB 4.08Å; R587-L625 HydrophobicContact CB-CD1 4.45Å; R587-L625 HydrophobicContact CG-CB 4.38Å; R587-L625 HydrophobicContact CG-CD1 4.46Å; D623-L625 WeakPolarHBondContact OD1-CA 3.21Å; D623-L625 WeakPolarHBondContact OD1-CB 3.31Å; D623-L625 PolarHBondContact OD1-N 3.34Å; L625-D627 PolarHBondContact O-N 3.43Å
626	I	86	Confident	78.7	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	115	177.5	-59.9	168.1	0	0	0	108.7	F577 I588 F593 A615 I618 D619 E630 F631	F577-I626 WeakPolarHBondContact CE2-O 3.29Å; I588-I626 HydrophobicContact CB-CB 4.28Å; I588-I626 PolarHBondContact N-O 3.03Å; I588-I626 PolarHBondContact O-N 2.98Å; F593-I626 HydrophobicContact CB-CD1 3.95Å; F593-I626 HydrophobicContact CD2-CD1 3.6Å; F593-I626 HydrophobicContact CE2-CD1 4.24Å; F593-I626 HydrophobicContact CG-CD1 3.78Å; A615-I626 HydrophobicContact CB-CD1 4.38Å; I618-I626 HydrophobicContact CB-CD1 4.2Å; I618-I626 HydrophobicContact CG2-CB 4.48Å; I618-I626 HydrophobicContact CG2-CD1 3.91Å; I618-I626 HydrophobicContact CG2-CG1 4.01Å; I618-I626 HydrophobicContact CG2-CG2 3.67Å; D619-I626 HydrophobicContact CB-CG1 4.39Å; I626-E630 HydrophobicContact CG2-CB 4.03Å; I626-F631 HydrophobicContact CG2-CB 3.88Å
627	D	87.8	Confident	77.5	Confident	27 Å²	27	54.9 Å²	54.9	14%	0.144	28%	0.284	C	S	.	.			trans	-81.3	169.1	169.3	86.8	28.9	0	0	0	112.8	R587 L625 N629 E630 F631	R587-D627 VanDerWaalsContact CD-CB 3.42Å; R587-D627 VanDerWaalsContact NE-CB 3.34Å; R587-D627 IonicContact NH2-OD2 3.23Å; L625-D627 PolarHBondContact O-N 3.43Å; D627-N629 VanDerWaalsContact C-N 3.26Å; D627-N629 PolarHBondContact O-N 3.04Å; D627-N629 WeakPolarHBondContact OD1-CA 3.33Å; D627-N629 VanDerWaalsContact OD1-CB 3.31Å; D627-N629 WeakPolarHBondContact OD1-CB 3.36Å; D627-N629 PolarHBondContact OD1-N 3.16Å; D627-E630 PolarHBondContact N-OE2 3.42Å; D627-E630 PolarHBondContact O-N 3.37Å; D627-E630 PolarHBondContact OD1-N 2.98Å; D627-F631 WeakPolarHBondContact O-CB 3.4Å; D627-F631 PolarHBondContact O-N 2.95Å
628	F	82.2	Confident	76.3	Confident	29 Å²	29	55.2 Å²	55.2	13%	0.127	28%	0.283	C	S	.	.	H	α-helix	trans	-63.9	-31.5	-176.4	-177.1	-117	0	0	0	113.1	E574 F577 F631 L632	E574-F628 VanDerWaalsContact CA-CE2 3.45Å; E574-F628 HydrophobicContact CB-CE1 4.35Å; E574-F628 HydrophobicContact CB-CE2 3.86Å; E574-F628 HydrophobicContact CB-CZ 3.62Å; E574-F628 HydrophobicContact CG-CE1 4.42Å; E574-F628 HydrophobicContact CG-CE2 4.23Å; E574-F628 HydrophobicContact CG-CZ 4.08Å; F577-F628 HydrophobicContact CB-CD2 3.74Å; F577-F628 HydrophobicContact CB-CE2 4.07Å; F577-F628 HydrophobicContact CD1-CB 4.38Å; F577-F628 HydrophobicContact CD1-CD2 4.14Å; F577-F628 HydrophobicContact CD2-CB 4.28Å; F577-F628 AromaticContact CD2-CD2 3.85Å; F577-F628 HydrophobicContact CD2-CD2 3.85Å; F577-F628 HydrophobicContact CE1-CB 4.22Å; F577-F628 HydrophobicContact CE2-CB 4.11Å; F577-F628 HydrophobicContact CG-CB 4.41Å; F577-F628 AromaticContact CG-CD2 3.64Å; F577-F628 HydrophobicContact CG-CD2 3.64Å; F577-F628 HydrophobicContact CG-CE2 4.45Å; F577-F628 HydrophobicContact CG-CG 4.47Å; F577-F628 HydrophobicContact CZ-CB 4.08Å; F628-F631 HydrophobicContact CD2-CD1 4.32Å; F628-F631 HydrophobicContact CE2-CD1 4.34Å; F628-L632 HydrophobicContact CD1-CD1 3.97Å; F628-L632 HydrophobicContact CD1-CG 4.41Å; F628-L632 HydrophobicContact CD2-CG 4.46Å; F628-L632 HydrophobicContact CE1-CD1 3.46Å; F628-L632 VanDerWaalsContact CE1-CD1 3.46Å; F628-L632 HydrophobicContact CE1-CG 4.03Å; F628-L632 HydrophobicContact CE2-CD1 4.39Å; F628-L632 HydrophobicContact CE2-CD2 4.22Å; F628-L632 HydrophobicContact CE2-CG 4.05Å; F628-L632 HydrophobicContact CZ-CD1 3.71Å; F628-L632 HydrophobicContact CZ-CD2 3.97Å; F628-L632 HydrophobicContact CZ-CG 3.83Å; F628-L632 WeakPolarHBondContact O-CB 3.26Å; F628-L632 VanDerWaalsContact O-CG 3.25Å; F628-L632 WeakPolarHBondContact O-CG 3.35Å; F628-L632 PolarHBondContact O-N 3.32Å
629	N	80.3	Confident	74.6	Confident	103 Å²	103	57.7 Å²	57.7	55%	0.551	29%	0.294	S	S	*	.	H	α-helix	trans	-71	-42	176.5	-60.5	-44.8	0	0	0	110.5	D627 L632 E633	D627-N629 VanDerWaalsContact C-N 3.26Å; D627-N629 PolarHBondContact O-N 3.04Å; D627-N629 WeakPolarHBondContact OD1-CA 3.33Å; D627-N629 VanDerWaalsContact OD1-CB 3.31Å; D627-N629 WeakPolarHBondContact OD1-CB 3.36Å; D627-N629 PolarHBondContact OD1-N 3.16Å; N629-L632 CarbonylContact O-C 3.52Å; N629-L632 WeakPolarHBondContact O-CB 3.28Å; N629-L632 PolarHBondContact O-N 3.37Å; N629-E633 WeakPolarHBondContact O-CG 3.46Å; N629-E633 PolarHBondContact O-N 3.18Å
630	E	83.3	Confident	72.9	Confident	12 Å²	12	60.2 Å²	60.2	6%	0.056	31%	0.312	C	S	.	.	H	α-helix	trans	-62.2	-44.4	174.7	-72.1	168.3	153.7	0	0	111.6	I618 I620 N621 I626 D627 L632 E633 T634	I618-E630 HydrophobicContact CG2-CB 4.37Å; I618-E630 WeakPolarHBondContact O-CB 3.37Å; I620-E630 HydrophobicContact CB-CG 4.46Å; I620-E630 HydrophobicContact CD1-CG 4.47Å; I620-E630 PolarHBondContact N-OE1 3.42Å; N621-E630 PolarHBondContact N-OE1 3.27Å; N621-E630 PolarHBondContact ND2-OE1 2.87Å; I626-E630 HydrophobicContact CG2-CB 4.03Å; D627-E630 PolarHBondContact N-OE2 3.42Å; D627-E630 PolarHBondContact O-N 3.37Å; D627-E630 PolarHBondContact OD1-N 2.98Å; E630-L632 VanDerWaalsContact C-N 3.25Å; E630-L632 PolarHBondContact O-N 2.97Å; E630-E633 PolarHBondContact O-N 3.05Å; E630-E633 VanDerWaalsContact O-N 3.14Å; E630-T634 PolarHBondContact O-N 2.96Å; E630-T634 VanDerWaalsContact O-N 3.15Å; E630-T634 PolarHBondContact O-OG1 2.94Å
631	F	80.1	Confident	71.1	Confident	6 Å²	6	59.8 Å²	59.8	3%	0.026	31%	0.311	C	S	.	.	H	α-helix	trans	-56.1	-42.5	172.5	-176.3	-106.9	0	0	0	111.5	L573 I576 F577 M580 I588 I626 D627 F628 T634 F635	L573-F631 HydrophobicContact CB-CE1 4.48Å; L573-F631 HydrophobicContact CD2-CE1 4.38Å; I576-F631 HydrophobicContact CG2-CZ 4.12Å; F577-F631 HydrophobicContact CB-CD1 4.16Å; F577-F631 HydrophobicContact CB-CE1 4.24Å; F577-F631 HydrophobicContact CD2-CB 3.79Å; F577-F631 HydrophobicContact CD2-CD1 4.01Å; F577-F631 HydrophobicContact CD2-CD2 4.41Å; F577-F631 AromaticContact CD2-CG 3.82Å; F577-F631 HydrophobicContact CD2-CG 3.82Å; F577-F631 HydrophobicContact CE2-CB 4.12Å; M580-F631 HydrophobicContact SD-CE2 3.98Å; M580-F631 HydrophobicContact SD-CZ 4.23Å; I588-F631 HydrophobicContact CD1-CD2 4.24Å; I588-F631 HydrophobicContact CD1-CE2 4.48Å; I626-F631 HydrophobicContact CG2-CB 3.88Å; D627-F631 WeakPolarHBondContact O-CB 3.4Å; D627-F631 PolarHBondContact O-N 2.95Å; F628-F631 HydrophobicContact CD2-CD1 4.32Å; F628-F631 HydrophobicContact CE2-CD1 4.34Å; F631-T634 VanDerWaalsContact O-CB 3.25Å; F631-T634 WeakPolarHBondContact O-CB 3.49Å; F631-T634 PolarHBondContact O-N 3.2Å; F631-T634 PolarHBondContact O-OG1 3.16Å; F631-F635 HydrophobicContact CD1-CE2 4.13Å; F631-F635 AromaticContact CE1-CE2 3.67Å; F631-F635 HydrophobicContact CE1-CE2 3.67Å; F631-F635 HydrophobicContact CE1-CZ 4.34Å; F631-F635 HydrophobicContact CE2-CE2 4.16Å; F631-F635 AromaticContact CZ-CE2 3.69Å; F631-F635 HydrophobicContact CZ-CE2 3.69Å; F631-F635 HydrophobicContact CZ-CZ 4.04Å; F631-F635 VanDerWaalsContact O-CD2 3.29Å; F631-F635 WeakPolarHBondContact O-CD2 3.29Å
632	L	72.8	Confident	69.1	Low	18 Å²	18	61.8 Å²	61.8	9%	0.094	32%	0.317	C	S	.	.	H	α-helix	trans	-67.4	-40.2	175.7	-79.6	-176.3	0	0	0	113	M566 L573 F628 N629 E630 T634 F635	M566-L632 HydrophobicContact CE-CB 3.48Å; M566-L632 VanDerWaalsContact CE-CB 3.48Å; M566-L632 HydrophobicContact CE-CD1 4.4Å; M566-L632 HydrophobicContact CE-CD2 3.99Å; M566-L632 HydrophobicContact CE-CG 4.16Å; M566-L632 WeakPolarHBondContact CE-O 3.2Å; L573-L632 HydrophobicContact CB-CD2 4.24Å; L573-L632 HydrophobicContact CD1-CD2 3.72Å; F628-L632 HydrophobicContact CD1-CD1 3.97Å; F628-L632 HydrophobicContact CD1-CG 4.41Å; F628-L632 HydrophobicContact CD2-CG 4.46Å; F628-L632 HydrophobicContact CE1-CD1 3.46Å; F628-L632 VanDerWaalsContact CE1-CD1 3.46Å; F628-L632 HydrophobicContact CE1-CG 4.03Å; F628-L632 HydrophobicContact CE2-CD1 4.39Å; F628-L632 HydrophobicContact CE2-CD2 4.22Å; F628-L632 HydrophobicContact CE2-CG 4.05Å; F628-L632 HydrophobicContact CZ-CD1 3.71Å; F628-L632 HydrophobicContact CZ-CD2 3.97Å; F628-L632 HydrophobicContact CZ-CG 3.83Å; F628-L632 WeakPolarHBondContact O-CB 3.26Å; F628-L632 VanDerWaalsContact O-CG 3.25Å; F628-L632 WeakPolarHBondContact O-CG 3.35Å; F628-L632 PolarHBondContact O-N 3.32Å; N629-L632 CarbonylContact O-C 3.52Å; N629-L632 WeakPolarHBondContact O-CB 3.28Å; N629-L632 PolarHBondContact O-N 3.37Å; E630-L632 VanDerWaalsContact C-N 3.25Å; E630-L632 PolarHBondContact O-N 2.97Å; L632-T634 PolarHBondContact O-N 2.95Å; L632-F635 PolarHBondContact O-N 3.19Å
633	E	69.4	Low	67.2	Low	64 Å²	64	57.4 Å²	57.4	30%	0.299	30%	0.302	S	S	.	.	H	α-helix	trans	-61.3	-28.3	176.3	-69	-54.8	141.1	0	0	112.3	I620 N629 E630 F635 R636 L637	I620-E633 HydrophobicContact CD1-CB 4.2Å; I620-E633 HydrophobicContact CD1-CG 4.1Å; N629-E633 WeakPolarHBondContact O-CG 3.46Å; N629-E633 PolarHBondContact O-N 3.18Å; E630-E633 PolarHBondContact O-N 3.05Å; E630-E633 VanDerWaalsContact O-N 3.14Å; E633-F635 VanDerWaalsContact C-N 3.31Å; E633-F635 PolarHBondContact O-N 3.09Å; E633-R636 WeakPolarHBondContact O-CA 3.28Å; E633-R636 VanDerWaalsContact O-CB 3.3Å; E633-R636 WeakPolarHBondContact O-CB 3.27Å; E633-R636 PolarHBondContact O-N 3.47Å; E633-R636 IonicContact OE1-CZ 3.76Å; E633-R636 VanDerWaalsContact OE1-CZ 3.23Å; E633-R636 IonicContact OE1-NE 3.05Å; E633-R636 IonicContact OE1-NH1 3.42Å; E633-R636 PolarHBondContact OE1-NH1 2.85Å; E633-R636 IonicContact OE1-NH2 3.57Å; E633-R636 VanDerWaalsContact OE2-CD 3.32Å; E633-R636 WeakPolarHBondContact OE2-CD 3.37Å; E633-R636 IonicContact OE2-CZ 3.02Å; E633-R636 IonicContact OE2-NE 2.65Å; E633-R636 IonicContact OE2-NH1 3.37Å; E633-R636 PolarHBondContact OE2-NH1 3.04Å; E633-R636 VanDerWaalsContact OE2-NH1 3.11Å; E633-L637 PolarHBondContact O-N 3.47Å
634	T	65.6	Low	65	Low	22 Å²	22	60 Å²	60	14%	0.135	31%	0.306	C	S	.	.	H	α-helix	trans	-55.5	-46.5	175.1	-50	0	0	0	0	111.9	I618 E630 F631 L632 R636 L637 V638	I618-T634 HydrophobicContact CD1-CG2 3.42Å; I618-T634 VanDerWaalsContact CD1-CG2 3.42Å; I618-T634 WeakPolarHBondContact CD1-OG1 3.46Å; I618-T634 HydrophobicContact CG1-CG2 3.7Å; I618-T634 WeakPolarHBondContact CG1-OG1 3.3Å; I618-T634 WeakPolarHBondContact CG2-OG1 3.27Å; E630-T634 PolarHBondContact O-N 2.96Å; E630-T634 VanDerWaalsContact O-N 3.15Å; E630-T634 PolarHBondContact O-OG1 2.94Å; F631-T634 VanDerWaalsContact O-CB 3.25Å; F631-T634 WeakPolarHBondContact O-CB 3.49Å; F631-T634 PolarHBondContact O-N 3.2Å; F631-T634 PolarHBondContact O-OG1 3.16Å; L632-T634 PolarHBondContact O-N 2.95Å; T634-R636 PolarHBondContact O-N 2.89Å; T634-L637 PolarHBondContact O-N 3.35Å; T634-V638 PolarHBondContact O-N 3.22Å
635	F	60.9	Low	63	Low	86 Å²	86	66.2 Å²	66.2	38%	0.377	32%	0.323	S	S	.	.	H	α-helix	trans	-69.1	-21.6	179.4	-66.4	-85.8	0	0	0	111.9	L573 F631 L632 E633	L573-F635 HydrophobicContact CD2-CD2 4.33Å; L573-F635 HydrophobicContact CD2-CE1 4.17Å; L573-F635 HydrophobicContact CD2-CE2 3.83Å; L573-F635 HydrophobicContact CD2-CZ 3.74Å; F631-F635 HydrophobicContact CD1-CE2 4.13Å; F631-F635 AromaticContact CE1-CE2 3.67Å; F631-F635 HydrophobicContact CE1-CE2 3.67Å; F631-F635 HydrophobicContact CE1-CZ 4.34Å; F631-F635 HydrophobicContact CE2-CE2 4.16Å; F631-F635 AromaticContact CZ-CE2 3.69Å; F631-F635 HydrophobicContact CZ-CE2 3.69Å; F631-F635 HydrophobicContact CZ-CZ 4.04Å; F631-F635 VanDerWaalsContact O-CD2 3.29Å; F631-F635 WeakPolarHBondContact O-CD2 3.29Å; L632-F635 PolarHBondContact O-N 3.19Å; E633-F635 VanDerWaalsContact C-N 3.31Å; E633-F635 PolarHBondContact O-N 3.09Å
636	R	55.6	Low	60.8	Low	55 Å²	55	69.2 Å²	69.2	21%	0.208	34%	0.335	C	S	.	.	H	α-helix	trans	-70.6	-37.9	172.4	-63.9	-163.1	-178.3	146.1	7.9	113.3	V562 M566 E633 T634 S640	V562-R636 HydrophobicContact CG1-CB 3.87Å; V562-R636 HydrophobicContact CG1-CG 3.78Å; M566-R636 HydrophobicContact CE-CG 3.88Å; M566-R636 HydrophobicContact SD-CG 3.18Å; M566-R636 WeakPolarHBondContact SD-CG 3.47Å; M566-R636 PolarHBondContact SD-NE 3.5Å; E633-R636 WeakPolarHBondContact O-CA 3.28Å; E633-R636 VanDerWaalsContact O-CB 3.3Å; E633-R636 WeakPolarHBondContact O-CB 3.27Å; E633-R636 PolarHBondContact O-N 3.47Å; E633-R636 IonicContact OE1-CZ 3.76Å; E633-R636 VanDerWaalsContact OE1-CZ 3.23Å; E633-R636 IonicContact OE1-NE 3.05Å; E633-R636 IonicContact OE1-NH1 3.42Å; E633-R636 PolarHBondContact OE1-NH1 2.85Å; E633-R636 IonicContact OE1-NH2 3.57Å; E633-R636 VanDerWaalsContact OE2-CD 3.32Å; E633-R636 WeakPolarHBondContact OE2-CD 3.37Å; E633-R636 IonicContact OE2-CZ 3.02Å; E633-R636 IonicContact OE2-NE 2.65Å; E633-R636 IonicContact OE2-NH1 3.37Å; E633-R636 PolarHBondContact OE2-NH1 3.04Å; E633-R636 VanDerWaalsContact OE2-NH1 3.11Å; T634-R636 PolarHBondContact O-N 2.89Å; R636-S640 PolarHBondContact O-N 3.12Å
637	L	53.6	Low	58.9	Low	98 Å²	98	71.7 Å²	71.7	51%	0.513	35%	0.352	S	S	.	.	H	α-helix	trans	-71.8	-40.6	-176.2	-67.4	170.5	0	0	0	111.9	E633 T634 E639 S640 D641	E633-L637 PolarHBondContact O-N 3.47Å; T634-L637 PolarHBondContact O-N 3.35Å; L637-E639 VanDerWaalsContact C-N 3.32Å; L637-E639 PolarHBondContact O-N 3.38Å; L637-S640 PolarHBondContact O-N 3.31Å; L637-S640 PolarHBondContact O-OG 3.26Å; L637-D641 PolarHBondContact O-N 2.96Å
638	V	51.1	Low	57	Low	84 Å²	84	73.5 Å²	73.5	51%	0.509	36%	0.362	S	S	.	.	H	α-helix	trans	-63.4	-35.7	-177.2	177.1	0	0	0	0	112.4	T634 H642	T634-V638 PolarHBondContact O-N 3.22Å; V638-H642 PolarHBondContact O-N 3.42Å
639	E	43.6	Very low	55.3	Low	57 Å²	57	76.2 Å²	76.2	27%	0.266	38%	0.381	S	S	.	.	H	α-helix	trans	-75.7	-36.2	175.6	-79.2	-171.1	167.4	0	0	112.8	V562 L637 D641 H642 D643	V562-E639 WeakPolarHBondContact CA-OE2 3.29Å; V562-E639 HydrophobicContact CG2-CB 3.92Å; V562-E639 WeakPolarHBondContact CG2-OE2 3.16Å; L637-E639 VanDerWaalsContact C-N 3.32Å; L637-E639 PolarHBondContact O-N 3.38Å; E639-D641 VanDerWaalsContact C-N 3.25Å; E639-D641 PolarHBondContact O-N 3.2Å; E639-H642 PolarHBondContact O-N 3.45Å; E639-H642 VanDerWaalsContact O-N 3.1Å; E639-D643 PolarHBondContact O-N 3.16Å
640	S	45.3	Very low	53.8	Low	60 Å²	60	78.3 Å²	78.3	42%	0.42	39%	0.388	S	S	.	.	H	α-helix	trans	-63.2	-32.7	176.9	57.7	0	0	0	0	113.1	R636 L637 Y644	R636-S640 PolarHBondContact O-N 3.12Å; L637-S640 PolarHBondContact O-N 3.31Å; L637-S640 PolarHBondContact O-OG 3.26Å; S640-Y644 PolarHBondContact O-N 3.35Å
641	D	42.9	Very low	52.1	Low	101 Å²	101	84.6 Å²	84.6	54%	0.54	42%	0.417	S	S	.	.	H	α-helix	trans	-71.6	-38.8	173.1	-80.8	-16.4	0	0	0	111.3	L637 E639 Y644 Y645	L637-D641 PolarHBondContact O-N 2.96Å; E639-D641 VanDerWaalsContact C-N 3.25Å; E639-D641 PolarHBondContact O-N 3.2Å; D641-Y644 PolarHBondContact O-N 3.08Å; D641-Y645 VanDerWaalsContact O-CD2 3.26Å; D641-Y645 WeakPolarHBondContact O-CD2 3.43Å; D641-Y645 PolarHBondContact O-N 3.39Å; D641-Y645 VanDerWaalsContact O-N 3.09Å
642	H	43.6	Very low	50.5	Low	124 Å²	124	91.3 Å²	91.3	57%	0.574	45%	0.448	S	S	*	.	H	α-helix	trans	-62.4	-44.3	176.6	-104	-66.6	0	0	0	112.7	V638 E639 Y644 Y645 E646	V638-H642 PolarHBondContact O-N 3.42Å; E639-H642 PolarHBondContact O-N 3.45Å; E639-H642 VanDerWaalsContact O-N 3.1Å; H642-Y644 VanDerWaalsContact C-N 3.27Å; H642-Y644 PolarHBondContact O-N 2.87Å; H642-Y645 PolarHBondContact O-N 2.97Å; H642-E646 PolarHBondContact O-N 2.85Å
643	D	43.2	Very low	49.2	Very low	79 Å²	79	95.7 Å²	95.7	42%	0.422	48%	0.476	S	S	.	.	H	α-helix	trans	-62.5	-35.4	176.2	-74.6	-16.7	0	0	0	111.7	E639 S647	E639-D643 PolarHBondContact O-N 3.16Å; D643-S647 PolarHBondContact O-N 3.15Å
644	Y	43.2	Very low	47.9	Very low	142 Å²	142	100.2 Å²	100.2	56%	0.557	50%	0.502	S	S	*	.	H	α-helix	trans	-66.4	-43.4	176.4	-174.4	-104.6	0	0	0	111.9	S640 D641 H642 S647 L648	S640-Y644 PolarHBondContact O-N 3.35Å; D641-Y644 PolarHBondContact O-N 3.08Å; H642-Y644 VanDerWaalsContact C-N 3.27Å; H642-Y644 PolarHBondContact O-N 2.87Å; Y644-S647 PolarHBondContact O-N 2.87Å; Y644-S647 PolarHBondContact O-OG 3.41Å; Y644-L648 HydrophobicContact CD1-CD1 3.99Å; Y644-L648 HydrophobicContact CE1-CD1 3.57Å; Y644-L648 HydrophobicContact CE1-CG 4.48Å; Y644-L648 PolarHBondContact O-N 3.41Å
645	Y	42.5	Very low	46.4	Very low	156 Å²	156	110.1 Å²	110.1	61%	0.612	55%	0.547	S	S	*	.	H	α-helix	trans	-69.1	-38.1	178.5	-83.3	-75.8	0	0	0	113.4	D641 H642 S647 L648 T649	D641-Y645 VanDerWaalsContact O-CD2 3.26Å; D641-Y645 WeakPolarHBondContact O-CD2 3.43Å; D641-Y645 PolarHBondContact O-N 3.39Å; D641-Y645 VanDerWaalsContact O-N 3.09Å; H642-Y645 PolarHBondContact O-N 2.97Å; Y645-S647 VanDerWaalsContact C-N 3.33Å; Y645-S647 PolarHBondContact O-N 3.48Å; Y645-L648 PolarHBondContact O-N 3.39Å; Y645-T649 PolarHBondContact O-N 3.48Å; Y645-T649 PolarHBondContact O-OG1 2.84Å
646	E	43.8	Very low	45.7	Very low	130 Å²	130	111.3 Å²	111.3	61%	0.607	56%	0.555	S	S	*	*	H	α-helix	trans	-63.6	-39.6	175	-84.2	-170.1	167.3	0	0	111.7	H642 L648 T649 E650	H642-E646 PolarHBondContact O-N 2.85Å; E646-L648 VanDerWaalsContact C-N 3.28Å; E646-L648 PolarHBondContact O-N 2.95Å; E646-T649 WeakPolarHBondContact CA-OG1 3.16Å; E646-T649 PolarHBondContact O-N 3.22Å; E646-T649 VanDerWaalsContact O-N 3.12Å; E646-T649 PolarHBondContact O-OG1 2.63Å; E646-E650 PolarHBondContact O-N 3.26Å; E646-E650 VanDerWaalsContact O-N 3.08Å
647	S	46.9	Very low	45.2	Very low	52 Å²	52	114.3 Å²	114.3	36%	0.364	57%	0.574	S	S	.	*	H	α-helix	trans	-63.6	-32.3	177.9	76.1	0	0	0	0	113.4	D643 Y644 Y645 Q651	D643-S647 PolarHBondContact O-N 3.15Å; Y644-S647 PolarHBondContact O-N 2.87Å; Y644-S647 PolarHBondContact O-OG 3.41Å; Y645-S647 VanDerWaalsContact C-N 3.33Å; Y645-S647 PolarHBondContact O-N 3.48Å; S647-Q651 PolarHBondContact O-N 3.16Å
648	L	46.8	Very low	44.7	Very low	65 Å²	65	115.2 Å²	115.2	34%	0.34	58%	0.577	S	S	.	*	H	α-helix	trans	-72.2	-34.6	174.8	-74.5	168.8	0	0	0	112	Y644 Y645 E646 Q652	Y644-L648 HydrophobicContact CD1-CD1 3.99Å; Y644-L648 HydrophobicContact CE1-CD1 3.57Å; Y644-L648 HydrophobicContact CE1-CG 4.48Å; Y644-L648 PolarHBondContact O-N 3.41Å; Y645-L648 PolarHBondContact O-N 3.39Å; E646-L648 VanDerWaalsContact C-N 3.28Å; E646-L648 PolarHBondContact O-N 2.95Å; L648-Q652 PolarHBondContact O-N 2.95Å
649	T	47.5	Very low	44.3	Very low	87 Å²	87	117 Å²	117	53%	0.534	58%	0.581	S	S	.	*	H	α-helix	trans	-72.6	-33.7	177.2	42.5	0	0	0	0	113.3	Y645 E646	Y645-T649 PolarHBondContact O-N 3.48Å; Y645-T649 PolarHBondContact O-OG1 2.84Å; E646-T649 WeakPolarHBondContact CA-OG1 3.16Å; E646-T649 PolarHBondContact O-N 3.22Å; E646-T649 VanDerWaalsContact O-N 3.12Å; E646-T649 PolarHBondContact O-OG1 2.63Å
650	E	47.3	Very low	44.4	Very low	147 Å²	147	120.8 Å²	120.8	69%	0.687	60%	0.601	S	S	*	*	H	α-helix	trans	-72.3	-37	175	-74.9	-171	160.3	0	0	112.3	E646 Q652 T653	E646-E650 PolarHBondContact O-N 3.26Å; E646-E650 VanDerWaalsContact O-N 3.08Å; E650-Q652 VanDerWaalsContact C-N 3.28Å; E650-Q652 PolarHBondContact O-N 2.95Å; E650-T653 PolarHBondContact O-N 2.94Å; E650-T653 PolarHBondContact O-OG1 3.14Å
651	Q	47.9	Very low	44.3	Very low	143 Å²	143	124.8 Å²	124.8	67%	0.668	61%	0.613	S	S	*	*	H	α-helix	trans	-69.1	-25.2	176.1	-75.6	-172.8	-12.3	0	0	113.4	S647 T653	S647-Q651 PolarHBondContact O-N 3.16Å; Q651-T653 VanDerWaalsContact C-N 3.33Å
652	Q	46.4	Very low	44.4	Very low	147 Å²	147	126.5 Å²	126.5	69%	0.687	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.9	-5.9	175.6	-77.1	-172.4	-16.6	0	0	114.4	L648 E650	L648-Q652 PolarHBondContact O-N 2.95Å; E650-Q652 VanDerWaalsContact C-N 3.28Å; E650-Q652 PolarHBondContact O-N 2.95Å
653	T	46	Very low	44.5	Very low	111 Å²	111	126.7 Å²	126.7	68%	0.681	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.1	-12.1	172.6	42	0	0	0	0	114.3	E650 Q651	E650-T653 PolarHBondContact O-N 2.94Å; E650-T653 PolarHBondContact O-OG1 3.14Å; Q651-T653 VanDerWaalsContact C-N 3.33Å
654	D	42.3	Very low	44.6	Very low	158 Å²	158	130.7 Å²	130.7	85%	0.845	64%	0.638	S	S	*	*			trans	-103.1	-3.3	177.6	-84.4	-12.4	0	0	0	114.1
655	E	34.2	Very low	44.7	Very low	230 Å²	230	129.6 Å²	129.6	100%	1.075	65%	0.645	S	S	*	*			trans	-96.2	0	164	-75.8	-169.5	163.1	0	0	111.2

Retrieved 655 of 655 residues in 1688 ms (Link to these results)

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