A0A077Z9Z0_TRITR Loading...

Serine/threonine-protein kinase RIO3

AlphaFold DB , UniProt , Accession A0A077Z9Z0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 511 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38	Very low	37.9	Very low	238 Å²	238	153.8 Å²	153.8	100%	1.172	83%	0.832	S	S	*	*				0	105.8	0	-159	175.4	-179.3	0	0	106.8
2	L	33.7	Very low	37.9	Very low	150 Å²	150	157.1 Å²	157.1	79%	0.785	84%	0.838	S	S	*	*			trans	18.4	137.6	144.5	-61	169.3	0	0	0	117
3	L	36.6	Very low	38	Very low	127 Å²	127	160.8 Å²	160.8	67%	0.665	84%	0.843	S	S	*	*			cis	-179.8	145.1	22.1	-106.1	159.1	0	0	0	108
4	R	36.4	Very low	37.9	Very low	225 Å²	225	163.4 Å²	163.4	85%	0.849	84%	0.844	S	S	*	*			trans	36.2	145.1	135.7	-75.1	-174.8	-177.7	-157.8	-2.5	120.1
5	S	37.9	Very low	38	Very low	98 Å²	98	160.6 Å²	160.6	69%	0.685	84%	0.84	S	S	*	*			cis	171.5	-170.7	13.8	-98.2	0	0	0	0	105.5
6	P	46.2	Very low	38	Very low	110 Å²	110	157.1 Å²	157.1	71%	0.714	83%	0.833	S	S	*	*				-138.7	-175.3	-52	41.5	-24	0	0	0	114.4
7	M	37.5	Very low	37.9	Very low	193 Å²	193	156.3 Å²	156.3	95%	0.951	84%	0.836	S	S	*	*			trans	90.4	119	148	-70.9	-98.7	168.8	0	0	121.2
8	G	38.8	Very low	37.7	Very low	76 Å²	76	160.2 Å²	160.2	78%	0.784	84%	0.837	S	S	*	*			trans	168.6	92	163.2	0	0	0	0	0	111.4
9	E	37.9	Very low	37.7	Very low	192 Å²	192	155.8 Å²	155.8	90%	0.897	84%	0.835	S	S	*	*			trans	-73.6	160.2	170.1	-88.7	179.7	167.1	0	0	112.3
10	P	38.9	Very low	37.5	Very low	119 Å²	119	160.6 Å²	160.6	77%	0.773	84%	0.841	S	S	*	*				-142.3	148.3	120.7	33.8	-17.5	0	0	0	116.4
11	D	35.5	Very low	37.3	Very low	164 Å²	164	156.2 Å²	156.2	88%	0.877	84%	0.835	S	S	*	*			trans	47.2	104.8	150.7	-75.7	-26	0	0	0	121.5
12	E	37.9	Very low	37.1	Very low	193 Å²	193	157 Å²	157	90%	0.902	83%	0.825	S	S	*	*			trans	-103.3	121.7	167.5	-140.3	178.2	-157.2	0	0	111.7	K14	E12-K14 PolarHBondContact O-N 3.08Å
13	F	38.9	Very low	37.4	Very low	206 Å²	206	157 Å²	157	90%	0.904	83%	0.825	S	S	*	*			trans	-71.2	114.9	178.1	-131.2	-100.1	0	0	0	110.5
14	K	37	Very low	37.4	Very low	197 Å²	197	156 Å²	156	86%	0.857	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-72.7	128.7	173.1	-82.4	179.3	176.4	174.5	0	111.7	E12	E12-K14 PolarHBondContact O-N 3.08Å
15	P	39.4	Very low	37.5	Very low	121 Å²	121	150.3 Å²	150.3	79%	0.786	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-85.6	143.6	166.1	31.9	-27	0	0	0	111.7
16	S	37.3	Very low	37.7	Very low	105 Å²	105	153.4 Å²	153.4	73%	0.734	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-55.4	131.5	-177.7	163.4	0	0	0	0	114.1	R18	S16-R18 PolarHBondContact O-N 3Å
17	T	36.9	Very low	37.5	Very low	143 Å²	143	157.2 Å²	157.2	88%	0.877	84%	0.839	S	S	*	*			trans	-70.3	109	169.8	37.8	0	0	0	0	111.2
18	R	34.4	Very low	38	Very low	226 Å²	226	154.4 Å²	154.4	85%	0.853	83%	0.833	S	S	*	*			trans	-100.1	130.4	158.7	-66.5	-168.9	-163.2	-173.2	6.2	108.9	S16 W20	S16-R18 PolarHBondContact O-N 3Å; R18-W20 VanDerWaalsContact C-N 3.31Å; R18-W20 PolarHBondContact O-N 3.01Å
19	G	36.9	Very low	38.6	Very low	78 Å²	78	156.2 Å²	156.2	80%	0.804	82%	0.821	S	S	*	*	S	Bend	trans	-74.4	57	-165.2	0	0	0	0	0	117.4
20	W	33.5	Very low	39.6	Very low	250 Å²	250	148.1 Å²	148.1	95%	0.947	79%	0.785	S	S	*	*			trans	-132.5	102.6	159.5	-66.3	85.1	0	0	0	107	R18	R18-W20 VanDerWaalsContact C-N 3.31Å; R18-W20 PolarHBondContact O-N 3.01Å
21	G	34.5	Very low	40.5	Very low	70 Å²	70	144.1 Å²	144.1	72%	0.722	76%	0.757	S	S	*	*			trans	-58	144.8	178.2	0	0	0	0	0	110.8	L23	G21-L23 PolarHBondContact O-N 3.12Å
22	R	32.6	Very low	41.7	Very low	255 Å²	255	137 Å²	137	96%	0.962	72%	0.721	S	S	*	*			trans	-55.3	107.4	166.5	-87	179.5	-174.8	-125.5	0.4	107.8
23	L	40.9	Very low	43.2	Very low	148 Å²	148	131.9 Å²	131.9	78%	0.775	70%	0.7	S	S	*	*			trans	-62.1	140.2	161.5	-69.8	170.6	0	0	0	107.6	G21	G21-L23 PolarHBondContact O-N 3.12Å
24	P	36	Very low	44.5	Very low	106 Å²	106	125.1 Å²	125.1	69%	0.688	67%	0.673	S	S	*	*			trans	-57.9	145.9	168.7	27	-30.3	0	0	0	108.2	E26	P24-E26 PolarHBondContact O-N 3.42Å
25	A	38.5	Very low	45.9	Very low	106 Å²	106	116 Å²	116	88%	0.876	63%	0.633	S	S	*	*			trans	-61	104.2	174.7	0	0	0	0	0	108.1
26	E	42.5	Very low	47.3	Very low	164 Å²	164	115.4 Å²	115.4	77%	0.766	62%	0.618	S	S	*	*			trans	-62.3	134.6	169.5	-76.5	177	163.6	0	0	108.1	P24 V28	P24-E26 PolarHBondContact O-N 3.42Å; E26-V28 PolarHBondContact O-N 3.27Å; E26-V28 VanDerWaalsContact O-N 3.14Å
27	E	41.4	Very low	48.7	Very low	189 Å²	189	115.4 Å²	115.4	88%	0.883	61%	0.606	S	S	*	*			trans	-59.7	116.1	170.5	-75.9	179.7	155.3	0	0	107.9	E29	E27-E29 PolarHBondContact O-N 3.02Å
28	V	48.9	Very low	50.1	Low	135 Å²	135	112.8 Å²	112.8	82%	0.818	58%	0.584	S	S	*	*			trans	-69.1	102.2	176.5	-179.4	0	0	0	0	107.2	E26	E26-V28 PolarHBondContact O-N 3.27Å; E26-V28 VanDerWaalsContact O-N 3.14Å
29	E	50.2	Low	51.4	Low	114 Å²	114	103.3 Å²	103.3	53%	0.533	55%	0.55	S	S	.	.			trans	-59.3	141	172	-76.9	-168.8	159.3	0	0	110.2	E27 I34	E27-E29 PolarHBondContact O-N 3.02Å; E29-I34 HydrophobicContact CB-CG1 4.43Å
30	S	59.6	Low	52.8	Low	22 Å²	22	104.6 Å²	104.6	15%	0.154	54%	0.535	C	S	.	.			trans	-66.8	145.2	177.8	69.2	0	0	0	0	110.8	A32 N33 I34 D250	S30-A32 PolarHBondContact O-N 3.29Å; S30-A32 VanDerWaalsContact O-N 3.12Å; S30-N33 WeakPolarHBondContact O-CB 3.23Å; S30-N33 PolarHBondContact O-N 3.45Å; S30-N33 PolarHBondContact OG-N 3.33Å; S30-N33 PolarHBondContact OG-ND2 3.42Å; S30-I34 PolarHBondContact O-N 3.03Å; S30-D250 WeakPolarHBondContact CB-OD1 3.14Å; S30-D250 WeakPolarHBondContact CB-OD2 3.37Å
31	L	59	Low	54.2	Low	34 Å²	34	98.7 Å²	98.7	18%	0.178	52%	0.518	C	S	.	.	H	α-helix	trans	-59.1	-29.1	177.8	-172.3	71.7	0	0	0	110.9	N33 I34 M35 L239 V251	L31-N33 VanDerWaalsContact C-N 3.33Å; L31-N33 PolarHBondContact O-N 3.04Å; L31-I34 PolarHBondContact O-N 2.83Å; L31-M35 HydrophobicContact CD1-CG 4.35Å; L31-M35 HydrophobicContact CD1-SD 4.33Å; L31-M35 HydrophobicContact CD2-SD 3.72Å; L31-M35 HydrophobicContact CG-CG 4.04Å; L31-M35 HydrophobicContact CG-SD 3.57Å; L31-M35 VanDerWaalsContact CG-SD 3.57Å; L31-M35 VanDerWaalsContact O-CB 3.22Å; L31-M35 WeakPolarHBondContact O-CB 3.47Å; L31-M35 WeakPolarHBondContact O-CG 3.4Å; L31-M35 PolarHBondContact O-N 3.46Å; L31-L239 HydrophobicContact CD2-CD1 3.8Å; L31-V251 HydrophobicContact CB-CB 4.33Å; L31-V251 HydrophobicContact CB-CG1 4.34Å; L31-V251 WeakPolarHBondContact CB-O 3.49Å; L31-V251 HydrophobicContact CD2-CB 4.32Å; L31-V251 HydrophobicContact CD2-CG1 3.71Å; L31-V251 PolarHBondContact N-O 2.63Å
32	A	60.7	Low	55.5	Low	16 Å²	16	97.4 Å²	97.4	13%	0.132	50%	0.5	C	S	.	.	H	α-helix	trans	-58.5	-42.3	173.7	0	0	0	0	0	112.6	S30 K36 I243	S30-A32 PolarHBondContact O-N 3.29Å; S30-A32 VanDerWaalsContact O-N 3.12Å; A32-K36 VanDerWaalsContact O-CB 3.25Å; A32-K36 WeakPolarHBondContact O-CB 3.38Å; A32-K36 PolarHBondContact O-N 3.2Å; A32-I243 HydrophobicContact CB-CD1 3.81Å
33	N	68.4	Low	56.7	Low	85 Å²	85	90.5 Å²	90.5	46%	0.455	48%	0.479	S	S	.	.	H	α-helix	trans	-69.4	-44.6	178.3	-71.3	-15.2	0	0	0	111.3	S30 L31 M35 K36 Q37	S30-N33 WeakPolarHBondContact O-CB 3.23Å; S30-N33 PolarHBondContact O-N 3.45Å; S30-N33 PolarHBondContact OG-N 3.33Å; S30-N33 PolarHBondContact OG-ND2 3.42Å; L31-N33 VanDerWaalsContact C-N 3.33Å; L31-N33 PolarHBondContact O-N 3.04Å; N33-M35 PolarHBondContact O-N 2.93Å; N33-K36 PolarHBondContact O-N 3.01Å; N33-Q37 PolarHBondContact O-N 2.91Å
34	I	66.8	Low	57.5	Low	64 Å²	64	89.4 Å²	89.4	33%	0.328	47%	0.473	S	S	.	.	H	α-helix	trans	-60	-48.5	176.7	-61	172.5	0	0	0	109.9	E29 S30 L31 K36 Q37 E38	E29-I34 HydrophobicContact CB-CG1 4.43Å; S30-I34 PolarHBondContact O-N 3.03Å; L31-I34 PolarHBondContact O-N 2.83Å; I34-K36 PolarHBondContact O-N 3.41Å; I34-Q37 PolarHBondContact O-N 3.18Å; I34-E38 WeakPolarHBondContact O-CG 3.43Å; I34-E38 PolarHBondContact O-N 3Å
35	M	65.5	Low	58.5	Low	4 Å²	4	90.3 Å²	90.3	2%	0.02	47%	0.472	C	S	.	.	H	α-helix	trans	-68	-33	-179.6	-73.6	175.1	29.7	0	0	113.2	L31 N33 E38 M39 S236 L239	L31-M35 HydrophobicContact CD1-CG 4.35Å; L31-M35 HydrophobicContact CD1-SD 4.33Å; L31-M35 HydrophobicContact CD2-SD 3.72Å; L31-M35 HydrophobicContact CG-CG 4.04Å; L31-M35 HydrophobicContact CG-SD 3.57Å; L31-M35 VanDerWaalsContact CG-SD 3.57Å; L31-M35 VanDerWaalsContact O-CB 3.22Å; L31-M35 WeakPolarHBondContact O-CB 3.47Å; L31-M35 WeakPolarHBondContact O-CG 3.4Å; L31-M35 PolarHBondContact O-N 3.46Å; N33-M35 PolarHBondContact O-N 2.93Å; M35-E38 PolarHBondContact O-N 3.43Å; M35-M39 VanDerWaalsContact O-CB 3.27Å; M35-M39 WeakPolarHBondContact O-CB 3.37Å; M35-M39 PolarHBondContact O-N 3.46Å; M35-S236 WeakPolarHBondContact CE-O 3.41Å; M35-L239 HydrophobicContact CE-CB 3.67Å; M35-L239 HydrophobicContact SD-CB 4.04Å; M35-L239 HydrophobicContact SD-CD1 4.19Å
36	K	68.3	Low	59.2	Low	109 Å²	109	90.8 Å²	90.8	47%	0.474	46%	0.46	S	S	.	.	H	α-helix	trans	-63.1	-46.7	172.9	-176.7	-177.6	172.5	-171.4	0	110.4	A32 N33 I34 M39 E40	A32-K36 VanDerWaalsContact O-CB 3.25Å; A32-K36 WeakPolarHBondContact O-CB 3.38Å; A32-K36 PolarHBondContact O-N 3.2Å; N33-K36 PolarHBondContact O-N 3.01Å; I34-K36 PolarHBondContact O-N 3.41Å; K36-M39 PolarHBondContact O-N 3.48Å; K36-E40 WeakPolarHBondContact CE-OE1 3.45Å; K36-E40 WeakPolarHBondContact O-CG 3.45Å; K36-E40 PolarHBondContact O-N 3.33Å
37	Q	67	Low	59.6	Low	105 Å²	105	86.7 Å²	86.7	49%	0.491	44%	0.443	S	S	.	.	H	α-helix	trans	-61.7	-44.3	175.2	-75.2	-178.4	-3.8	0	0	112.3	N33 I34 M39 E40 Q41	N33-Q37 PolarHBondContact O-N 2.91Å; I34-Q37 PolarHBondContact O-N 3.18Å; Q37-M39 VanDerWaalsContact C-N 3.33Å; Q37-M39 PolarHBondContact O-N 2.96Å; Q37-E40 PolarHBondContact O-N 3.27Å; Q37-Q41 WeakPolarHBondContact O-CG 3.44Å; Q37-Q41 PolarHBondContact O-N 3.06Å
38	E	65.9	Low	59.9	Low	88 Å²	88	81.1 Å²	81.1	41%	0.411	43%	0.429	S	S	.	.	H	α-helix	trans	-63.5	-37.6	177	-73.3	-174	160.1	0	0	112.4	I34 M35 Q41 A42	I34-E38 WeakPolarHBondContact O-CG 3.43Å; I34-E38 PolarHBondContact O-N 3Å; M35-E38 PolarHBondContact O-N 3.43Å; E38-Q41 PolarHBondContact O-N 2.88Å; E38-A42 WeakPolarHBondContact O-CB 3.46Å; E38-A42 PolarHBondContact O-N 2.74Å
39	M	63.4	Low	59.5	Low	27 Å²	27	77.3 Å²	77.3	13%	0.133	42%	0.417	C	S	.	.	H	α-helix	trans	-71.7	-39.3	178.5	-169.9	174	-51.6	0	0	112.6	M35 K36 Q37 Q41 A42 H43 L237 Y240	M35-M39 VanDerWaalsContact O-CB 3.27Å; M35-M39 WeakPolarHBondContact O-CB 3.37Å; M35-M39 PolarHBondContact O-N 3.46Å; K36-M39 PolarHBondContact O-N 3.48Å; Q37-M39 VanDerWaalsContact C-N 3.33Å; Q37-M39 PolarHBondContact O-N 2.96Å; M39-Q41 VanDerWaalsContact C-N 3.26Å; M39-Q41 PolarHBondContact O-N 2.78Å; M39-A42 PolarHBondContact O-N 3.43Å; M39-H43 PolarHBondContact O-N 3.2Å; M39-L237 HydrophobicContact CE-CD2 3.55Å; M39-L237 HydrophobicContact SD-CD2 4.38Å; M39-Y240 HydrophobicContact CE-CD1 3.02Å; M39-Y240 HydrophobicContact CE-CD2 3.72Å; M39-Y240 HydrophobicContact CE-CE1 3.38Å; M39-Y240 HydrophobicContact CE-CE2 4.08Å; M39-Y240 HydrophobicContact CE-CG 3.17Å; M39-Y240 HydrophobicContact SD-CD1 3.6Å; M39-Y240 HydrophobicContact SD-CE1 3.26Å; M39-Y240 WeakPolarHBondContact SD-CE1 3.32Å; M39-Y240 HydrophobicContact SD-CE2 4.38Å; M39-Y240 HydrophobicContact SD-CG 4.23Å
40	E	65	Low	59	Low	105 Å²	105	78.2 Å²	78.2	49%	0.491	42%	0.422	S	S	.	.	H	α-helix	trans	-59	-41.8	172.1	-74.3	169.5	-175.7	0	0	110.1	K36 Q37 L44	K36-E40 WeakPolarHBondContact CE-OE1 3.45Å; K36-E40 WeakPolarHBondContact O-CG 3.45Å; K36-E40 PolarHBondContact O-N 3.33Å; Q37-E40 PolarHBondContact O-N 3.27Å; E40-L44 WeakPolarHBondContact O-CD1 3.43Å; E40-L44 VanDerWaalsContact O-CG 3.27Å; E40-L44 WeakPolarHBondContact O-CG 3.23Å; E40-L44 PolarHBondContact O-N 3.19Å; E40-L44 VanDerWaalsContact O-N 3.17Å
41	Q	63.5	Low	58.1	Low	127 Å²	127	83 Å²	83	59%	0.593	44%	0.441	S	S	*	.	H	α-helix	trans	-64.8	-40.7	172.9	-71.7	179.3	8.3	0	0	113.1	Q37 E38 M39 L44 L45	Q37-Q41 WeakPolarHBondContact O-CG 3.44Å; Q37-Q41 PolarHBondContact O-N 3.06Å; E38-Q41 PolarHBondContact O-N 2.88Å; M39-Q41 VanDerWaalsContact C-N 3.26Å; M39-Q41 PolarHBondContact O-N 2.78Å; Q41-L44 PolarHBondContact O-N 3.26Å; Q41-L45 WeakPolarHBondContact O-CG 3.49Å; Q41-L45 PolarHBondContact O-N 2.86Å
42	A	61	Low	57	Low	42 Å²	42	85.2 Å²	85.2	35%	0.347	46%	0.464	S	S	.	.	H	α-helix	trans	-67.8	-39.7	178.1	0	0	0	0	0	112.7	E38 M39 L44 L45 D46	E38-A42 WeakPolarHBondContact O-CB 3.46Å; E38-A42 PolarHBondContact O-N 2.74Å; M39-A42 PolarHBondContact O-N 3.43Å; A42-L44 VanDerWaalsContact C-N 3.33Å; A42-L44 PolarHBondContact O-N 3.42Å; A42-L45 PolarHBondContact O-N 3.41Å; A42-D46 PolarHBondContact O-N 3.23Å
43	H	58.1	Low	55.9	Low	111 Å²	111	92.1 Å²	92.1	51%	0.514	49%	0.494	S	S	.	.	H	α-helix	trans	-65.2	-35.7	175.8	-99.7	-69	0	0	0	112.6	M39 L45 D46 N47	M39-H43 PolarHBondContact O-N 3.2Å; H43-L45 VanDerWaalsContact C-N 3.28Å; H43-L45 PolarHBondContact O-N 3.15Å; H43-D46 PolarHBondContact O-N 2.78Å; H43-N47 WeakPolarHBondContact O-CB 3.38Å; H43-N47 PolarHBondContact O-N 2.68Å
44	L	58.1	Low	54.6	Low	124 Å²	124	93 Å²	93	65%	0.649	50%	0.498	S	S	*	.	H	α-helix	trans	-62.2	-37	173	-72.6	165.3	0	0	0	111.6	E40 Q41 A42 A48	E40-L44 WeakPolarHBondContact O-CD1 3.43Å; E40-L44 VanDerWaalsContact O-CG 3.27Å; E40-L44 WeakPolarHBondContact O-CG 3.23Å; E40-L44 PolarHBondContact O-N 3.19Å; E40-L44 VanDerWaalsContact O-N 3.17Å; Q41-L44 PolarHBondContact O-N 3.26Å; A42-L44 VanDerWaalsContact C-N 3.33Å; A42-L44 PolarHBondContact O-N 3.42Å; L44-A48 PolarHBondContact O-N 2.68Å
45	L	56.9	Low	53.2	Low	126 Å²	126	94 Å²	94	66%	0.66	52%	0.516	S	S	*	.	H	α-helix	trans	-73.4	-40	177.6	-68.2	168	0	0	0	113	Q41 A42 H43 A48 G49	Q41-L45 WeakPolarHBondContact O-CG 3.49Å; Q41-L45 PolarHBondContact O-N 2.86Å; A42-L45 PolarHBondContact O-N 3.41Å; H43-L45 VanDerWaalsContact C-N 3.28Å; H43-L45 PolarHBondContact O-N 3.15Å; L45-A48 PolarHBondContact O-N 3.28Å; L45-G49 PolarHBondContact O-N 3.19Å
46	D	52.1	Low	51.9	Low	116 Å²	116	98.8 Å²	98.8	62%	0.62	55%	0.549	S	S	*	.	H	α-helix	trans	-70.9	-37.1	178.6	-96	-6.3	0	0	0	112.3	A42 H43 A48 G49 Q50	A42-D46 PolarHBondContact O-N 3.23Å; H43-D46 PolarHBondContact O-N 2.78Å; D46-A48 VanDerWaalsContact C-N 3.34Å; D46-G49 PolarHBondContact O-N 2.76Å; D46-Q50 PolarHBondContact O-N 2.87Å
47	N	52.1	Low	50.5	Low	77 Å²	77	100.1 Å²	100.1	41%	0.412	56%	0.56	S	S	.	*	H	α-helix	trans	-66.1	-38.2	175	-75.2	-13	0	0	0	111.1	H43 G49 Q50 H51	H43-N47 WeakPolarHBondContact O-CB 3.38Å; H43-N47 PolarHBondContact O-N 2.68Å; N47-G49 PolarHBondContact O-N 3.41Å; N47-G49 VanDerWaalsContact O-N 3.15Å; N47-Q50 PolarHBondContact O-N 3.18Å; N47-H51 PolarHBondContact O-CD2 3.23Å; N47-H51 PolarHBondContact O-N 2.87Å
48	A	46.5	Very low	49	Very low	73 Å²	73	101.8 Å²	101.8	60%	0.603	57%	0.571	S	S	*	*	H	α-helix	trans	-59.8	-25.9	174.7	0	0	0	0	0	113.3	L44 L45 D46	L44-A48 PolarHBondContact O-N 2.68Å; L45-A48 PolarHBondContact O-N 3.28Å; D46-A48 VanDerWaalsContact C-N 3.34Å
49	G	42.3	Very low	47.6	Very low	55 Å²	55	104.7 Å²	104.7	57%	0.567	59%	0.589	S	S	*	*	H	α-helix	trans	-81.1	-27.4	177	0	0	0	0	0	115.2	L45 D46 N47	L45-G49 PolarHBondContact O-N 3.19Å; D46-G49 PolarHBondContact O-N 2.76Å; N47-G49 PolarHBondContact O-N 3.41Å; N47-G49 VanDerWaalsContact O-N 3.15Å
50	Q	38.5	Very low	46.2	Very low	133 Å²	133	109.5 Å²	109.5	62%	0.621	62%	0.622	S	S	*	*	H	α-helix	trans	-89.3	-23.4	-178.6	-71.7	177.6	4.9	0	0	113.2	D46 N47 A52 E53	D46-Q50 PolarHBondContact O-N 2.87Å; N47-Q50 PolarHBondContact O-N 3.18Å; Q50-A52 PolarHBondContact O-N 3.18Å; Q50-E53 PolarHBondContact O-N 2.99Å
51	H	39.9	Very low	44.9	Very low	123 Å²	123	111 Å²	111	57%	0.569	64%	0.638	S	S	*	*	H	α-helix	trans	-73.9	-11.2	178.1	-75	-68.4	0	0	0	114.4	N47 E53	N47-H51 PolarHBondContact O-CD2 3.23Å; N47-H51 PolarHBondContact O-N 2.87Å; H51-E53 VanDerWaalsContact C-N 3.34Å; H51-E53 PolarHBondContact O-N 3.1Å
52	A	37.3	Very low	43.3	Very low	80 Å²	80	110 Å²	110	66%	0.661	65%	0.645	S	S	*	*	H	α-helix	trans	-72.4	-20.8	174.6	0	0	0	0	0	114.1	Q50	Q50-A52 PolarHBondContact O-N 3.18Å
53	E	37.4	Very low	42.2	Very low	160 Å²	160	116.4 Å²	116.4	75%	0.748	67%	0.673	S	S	*	*	H	α-helix	trans	-92.1	-21.2	179.8	-78.8	-175	155	0	0	113.6	Q50 H51 S56	Q50-E53 PolarHBondContact O-N 2.99Å; H51-E53 VanDerWaalsContact C-N 3.34Å; H51-E53 PolarHBondContact O-N 3.1Å; E53-S56 PolarHBondContact O-OG 3.48Å
54	I	40.3	Very low	40.9	Very low	105 Å²	105	117.7 Å²	117.7	54%	0.538	69%	0.689	S	S	.	*	H	α-helix	trans	-88.5	-21.4	-175.4	-58.4	176.8	0	0	0	112.4	S56 I57	I54-S56 PolarHBondContact O-N 3Å; I54-I57 PolarHBondContact O-N 3.08Å
55	A	37.5	Very low	40	Very low	85 Å²	85	115.2 Å²	115.2	70%	0.702	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.5	-4.1	177.5	0	0	0	0	0	114.8
56	S	38.2	Very low	39	Very low	103 Å²	103	114.7 Å²	114.7	72%	0.72	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.6	3.1	-178.1	69	0	0	0	0	115.3	E53 I54	E53-S56 PolarHBondContact O-OG 3.48Å; I54-S56 PolarHBondContact O-N 3Å
57	I	39.4	Very low	38.5	Very low	137 Å²	137	115 Å²	115	70%	0.703	71%	0.709	S	S	*	*	S	Bend	trans	-120.8	0.6	-167.5	-57.9	-179.9	0	0	0	113.9	I54	I54-I57 PolarHBondContact O-N 3.08Å
58	I	35.7	Very low	37.9	Very low	141 Å²	141	115.5 Å²	115.5	72%	0.723	72%	0.718	S	S	*	*			trans	-112.8	100	-173.3	-54	174.3	0	0	0	110.9
59	D	35.3	Very low	37.7	Very low	149 Å²	149	120.2 Å²	120.2	80%	0.797	73%	0.733	S	S	*	*			trans	-67.4	129.6	166.2	-78.8	-38.4	0	0	0	110.1	V61	D59-V61 PolarHBondContact O-N 3.08Å
60	P	35.4	Very low	37.8	Very low	127 Å²	127	124.2 Å²	124.2	83%	0.825	74%	0.742	S	S	*	*			trans	-81.2	103.2	-179.1	30.7	-31.6	0	0	0	110.8
61	V	36.4	Very low	38	Very low	137 Å²	137	123.2 Å²	123.2	83%	0.83	74%	0.741	S	S	*	*			trans	-83	125.8	165.7	170.7	0	0	0	0	109.6	D59	D59-V61 PolarHBondContact O-N 3.08Å
62	S	31.6	Very low	38.4	Very low	106 Å²	106	123.1 Å²	123.1	74%	0.741	75%	0.752	S	S	*	*			trans	-43.1	132.7	177.1	-46.4	0	0	0	0	114.7
63	L	37.4	Very low	39.4	Very low	176 Å²	176	125.3 Å²	125.3	92%	0.921	76%	0.757	S	S	*	*			trans	-151.1	94.4	155.1	-99.3	165.2	0	0	0	110.7
64	T	31.6	Very low	41	Very low	138 Å²	138	121.7 Å²	121.7	85%	0.847	74%	0.743	S	S	*	*			trans	-76.3	118	162.5	50	0	0	0	0	109.2
65	G	37.5	Very low	42.8	Very low	73 Å²	73	123.2 Å²	123.2	75%	0.753	75%	0.752	S	S	*	*			trans	-173.8	120.4	171.8	0	0	0	0	0	111.8
66	S	37.6	Very low	44.6	Very low	115 Å²	115	124.2 Å²	124.2	80%	0.804	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-64	140.3	-179.4	65.6	0	0	0	0	111.9	S68	S66-S68 PolarHBondContact O-N 3.3Å
67	P	40	Very low	46.1	Very low	122 Å²	122	123 Å²	123	79%	0.792	73%	0.729	S	S	*	*	P	Polyproline II helix	trans	-76.1	119.9	-175.4	30.3	-31.9	0	0	0	110.8
68	S	39.9	Very low	47.8	Very low	87 Å²	87	120.1 Å²	120.1	61%	0.608	72%	0.715	S	S	*	*	P	Polyproline II helix	trans	-80.4	141.1	156.6	44.3	0	0	0	0	109.5	S66 D70	S66-S68 PolarHBondContact O-N 3.3Å; S68-D70 VanDerWaalsContact C-N 3.27Å; S68-D70 PolarHBondContact O-N 2.99Å
69	N	42.5	Very low	49.7	Very low	172 Å²	172	116 Å²	116	92%	0.92	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.5	47.3	-168.5	-75.4	-29	0	0	0	117
70	D	45.2	Very low	51.6	Low	140 Å²	140	113.1 Å²	113.1	75%	0.749	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-139.6	5.2	-179.4	-136.7	7.4	0	0	0	117.3	S68 C72	S68-D70 VanDerWaalsContact C-N 3.27Å; S68-D70 PolarHBondContact O-N 2.99Å; D70-C72 PolarHBondContact O-N 3.43Å
71	D	41.7	Very low	53.5	Low	112 Å²	112	112.6 Å²	112.6	60%	0.599	68%	0.675	S	S	*	*			trans	-102	75.1	-167.7	-64.9	-28.8	0	0	0	113.9
72	C	49.4	Very low	55.6	Low	121 Å²	121	111 Å²	111	82%	0.818	66%	0.661	S	S	*	*			trans	-100.8	26.4	160.2	-85.8	0	0	0	0	112.2	D70	D70-C72 PolarHBondContact O-N 3.43Å
73	T	57.1	Low	57.9	Low	125 Å²	125	110.8 Å²	110.8	77%	0.767	65%	0.648	S	S	*	*			trans	-113.5	-1.6	-173.7	10.3	0	0	0	0	115.2
74	D	71.4	Confident	59.8	Low	85 Å²	85	106 Å²	106	46%	0.455	62%	0.621	S	S	.	*			trans	-116.8	111.7	-177.4	-163.6	-1.7	0	0	0	110.8	L76 M77 I78	D74-L76 PolarHBondContact O-N 2.87Å; D74-L76 VanDerWaalsContact O-N 3.11Å; D74-L76 PolarHBondContact OD1-N 3.41Å; D74-M77 HydrophobicContact CB-CB 4.42Å; D74-M77 PolarHBondContact O-N 3.28Å; D74-I78 PolarHBondContact O-N 2.98Å
75	D	77.8	Confident	62	Low	136 Å²	136	104.1 Å²	104.1	73%	0.727	60%	0.603	S	S	*	*	H	α-helix	trans	-54.5	-30	178.2	-70.3	-27.4	0	0	0	111.5	I78 A79	D75-I78 PolarHBondContact O-N 3.13Å; D75-A79 WeakPolarHBondContact O-CB 3.14Å; D75-A79 PolarHBondContact O-N 3.49Å
76	L	76.8	Confident	64	Low	107 Å²	107	105.2 Å²	105.2	56%	0.56	59%	0.591	S	S	*	*	H	α-helix	trans	-65.4	-40.6	176.2	-178.6	63.3	0	0	0	112.2	D74 A79 I80	D74-L76 PolarHBondContact O-N 2.87Å; D74-L76 VanDerWaalsContact O-N 3.11Å; D74-L76 PolarHBondContact OD1-N 3.41Å; L76-A79 PolarHBondContact O-N 3.08Å; L76-I80 HydrophobicContact CD1-CD1 4.14Å; L76-I80 HydrophobicContact CG-CD1 4.08Å; L76-I80 WeakPolarHBondContact O-CG1 3.45Å; L76-I80 PolarHBondContact O-N 3.31Å
77	M	69.2	Low	66.2	Low	77 Å²	77	102 Å²	102	38%	0.379	57%	0.565	S	S	.	*	H	α-helix	trans	-67.8	-40	176.1	-94.2	-56.2	101.2	0	0	112.2	D74 A79 I80 L81	D74-M77 HydrophobicContact CB-CB 4.42Å; D74-M77 PolarHBondContact O-N 3.28Å; M77-A79 VanDerWaalsContact C-N 3.32Å; M77-A79 PolarHBondContact O-N 2.92Å; M77-I80 HydrophobicContact CE-CB 4.13Å; M77-I80 HydrophobicContact CE-CD1 3.47Å; M77-I80 VanDerWaalsContact CE-CD1 3.47Å; M77-I80 HydrophobicContact CE-CG1 4.34Å; M77-I80 HydrophobicContact CE-CG2 4.3Å; M77-I80 PolarHBondContact O-N 2.96Å; M77-L81 WeakPolarHBondContact O-CB 3.43Å; M77-L81 PolarHBondContact O-N 3.39Å
78	I	74.3	Confident	68	Low	77 Å²	77	102.4 Å²	102.4	40%	0.395	55%	0.551	S	S	.	*	H	α-helix	trans	-62.2	-43.7	175.2	-61.2	174.2	0	0	0	110	D74 D75 L81 L82	D74-I78 PolarHBondContact O-N 2.98Å; D75-I78 PolarHBondContact O-N 3.13Å; I78-L81 PolarHBondContact O-N 3.48Å; I78-L82 HydrophobicContact CG2-CD1 3.76Å; I78-L82 WeakPolarHBondContact O-CB 3.18Å; I78-L82 WeakPolarHBondContact O-CD1 3.22Å; I78-L82 WeakPolarHBondContact O-CG 3.44Å; I78-L82 PolarHBondContact O-N 2.87Å
79	A	76.8	Confident	70	Confident	54 Å²	54	103.5 Å²	103.5	45%	0.446	55%	0.546	S	S	.	.	H	α-helix	trans	-63	-41.8	177.6	0	0	0	0	0	112.7	D75 L76 M77 L82 Q83	D75-A79 WeakPolarHBondContact O-CB 3.14Å; D75-A79 PolarHBondContact O-N 3.49Å; L76-A79 PolarHBondContact O-N 3.08Å; M77-A79 VanDerWaalsContact C-N 3.32Å; M77-A79 PolarHBondContact O-N 2.92Å; A79-L82 PolarHBondContact O-N 3.42Å; A79-Q83 WeakPolarHBondContact O-CB 3.36Å; A79-Q83 PolarHBondContact O-N 2.98Å
80	I	74	Confident	71.9	Confident	89 Å²	89	98 Å²	98	46%	0.456	52%	0.521	S	S	.	.	H	α-helix	trans	-66.9	-42.6	177.4	-73	169.2	0	0	0	111.1	L76 M77 Q83 H84	L76-I80 HydrophobicContact CD1-CD1 4.14Å; L76-I80 HydrophobicContact CG-CD1 4.08Å; L76-I80 WeakPolarHBondContact O-CG1 3.45Å; L76-I80 PolarHBondContact O-N 3.31Å; M77-I80 HydrophobicContact CE-CB 4.13Å; M77-I80 HydrophobicContact CE-CD1 3.47Å; M77-I80 VanDerWaalsContact CE-CD1 3.47Å; M77-I80 HydrophobicContact CE-CG1 4.34Å; M77-I80 HydrophobicContact CE-CG2 4.3Å; M77-I80 PolarHBondContact O-N 2.96Å; I80-Q83 PolarHBondContact O-N 3.22Å; I80-H84 PolarHBondContact O-N 3.35Å
81	L	75.1	Confident	73.7	Confident	116 Å²	116	92.2 Å²	92.2	61%	0.607	49%	0.49	S	S	*	.	H	α-helix	trans	-62.2	-43.5	175	-85.8	157.6	0	0	0	112	M77 I78 H84 E85	M77-L81 WeakPolarHBondContact O-CB 3.43Å; M77-L81 PolarHBondContact O-N 3.39Å; I78-L81 PolarHBondContact O-N 3.48Å; L81-H84 PolarHBondContact O-N 3.02Å; L81-E85 PolarHBondContact O-N 2.95Å
82	L	80.5	Confident	75.6	Confident	103 Å²	103	90.5 Å²	90.5	54%	0.539	48%	0.484	S	S	.	.	H	α-helix	trans	-62.3	-44.1	175.8	-84.3	159.4	0	0	0	112	I78 A79 H84 E85 L86	I78-L82 HydrophobicContact CG2-CD1 3.76Å; I78-L82 WeakPolarHBondContact O-CB 3.18Å; I78-L82 WeakPolarHBondContact O-CD1 3.22Å; I78-L82 WeakPolarHBondContact O-CG 3.44Å; I78-L82 PolarHBondContact O-N 2.87Å; A79-L82 PolarHBondContact O-N 3.42Å; L82-H84 VanDerWaalsContact C-N 3.34Å; L82-H84 PolarHBondContact O-N 3.28Å; L82-E85 PolarHBondContact O-N 2.83Å; L82-L86 WeakPolarHBondContact O-CG 3.33Å; L82-L86 PolarHBondContact O-N 3.19Å
83	Q	80	Confident	77.2	Confident	101 Å²	101	90.3 Å²	90.3	47%	0.472	47%	0.474	S	S	.	.	H	α-helix	trans	-61.8	-43.4	177.6	-174	61.5	53.2	0	0	111.4	A79 I80 E85 L86 D87	A79-Q83 WeakPolarHBondContact O-CB 3.36Å; A79-Q83 PolarHBondContact O-N 2.98Å; I80-Q83 PolarHBondContact O-N 3.22Å; Q83-E85 VanDerWaalsContact C-N 3.31Å; Q83-E85 PolarHBondContact O-N 3.14Å; Q83-L86 PolarHBondContact O-N 3Å; Q83-D87 PolarHBondContact NE2-OD1 2.74Å; Q83-D87 WeakPolarHBondContact O-CB 3.48Å; Q83-D87 PolarHBondContact O-N 2.97Å
84	H	77.5	Confident	78.5	Confident	76 Å²	76	86.4 Å²	86.4	35%	0.352	45%	0.448	S	S	.	.	H	α-helix	trans	-63.5	-35.5	177.5	178.5	-89.6	0	0	0	112.7	I80 L81 L82 R88	I80-H84 PolarHBondContact O-N 3.35Å; L81-H84 PolarHBondContact O-N 3.02Å; L82-H84 VanDerWaalsContact C-N 3.34Å; L82-H84 PolarHBondContact O-N 3.28Å; H84-R88 VanDerWaalsContact CE1-CZ 3.44Å; H84-R88 PolarHBondContact CE1-NE 3.22Å; H84-R88 WeakPolarHBondContact O-CG 3.47Å; H84-R88 PolarHBondContact O-N 2.91Å; H84-R88 VanDerWaalsContact O-N 3.12Å
85	E	77.4	Confident	79	Confident	99 Å²	99	88 Å²	88	46%	0.463	45%	0.451	S	S	.	.	H	α-helix	trans	-70	-40.2	174.6	-162.4	63	-161.1	0	0	111.8	L81 L82 Q83 R88 E89	L81-E85 PolarHBondContact O-N 2.95Å; L82-E85 PolarHBondContact O-N 2.83Å; Q83-E85 VanDerWaalsContact C-N 3.31Å; Q83-E85 PolarHBondContact O-N 3.14Å; E85-R88 WeakPolarHBondContact O-CB 3.46Å; E85-R88 PolarHBondContact O-N 3.4Å; E85-E89 PolarHBondContact O-N 3.09Å
86	L	80.7	Confident	79.2	Confident	95 Å²	95	85.8 Å²	85.8	50%	0.497	44%	0.439	S	S	.	.	H	α-helix	trans	-62.8	-41.9	174.6	-72.6	170.8	0	0	0	112.4	L82 Q83 R88 E89 S90	L82-L86 WeakPolarHBondContact O-CG 3.33Å; L82-L86 PolarHBondContact O-N 3.19Å; Q83-L86 PolarHBondContact O-N 3Å; L86-R88 VanDerWaalsContact C-N 3.33Å; L86-E89 PolarHBondContact O-N 2.98Å; L86-S90 WeakPolarHBondContact O-CB 3.31Å; L86-S90 PolarHBondContact O-N 2.97Å
87	D	82.9	Confident	79.5	Confident	48 Å²	48	82 Å²	82	26%	0.257	43%	0.426	S	S	.	.	H	α-helix	trans	-62.9	-42.2	177	-69.9	-14.2	0	0	0	110.5	Q83 S90 D91 A116 V117	Q83-D87 PolarHBondContact NE2-OD1 2.74Å; Q83-D87 WeakPolarHBondContact O-CB 3.48Å; Q83-D87 PolarHBondContact O-N 2.97Å; D87-S90 WeakPolarHBondContact O-CB 3.16Å; D87-S90 PolarHBondContact O-N 3.35Å; D87-D91 VanDerWaalsContact O-CG 3.26Å; D87-D91 PolarHBondContact O-N 3.23Å; D87-A116 HydrophobicContact CB-CB 3.85Å; D87-V117 HydrophobicContact CB-CG2 4.07Å
88	R	78.3	Confident	80.3	Confident	131 Å²	131	80.2 Å²	80.2	49%	0.494	42%	0.417	S	S	.	.	H	α-helix	trans	-61.8	-46.3	172.8	-83	-177.7	160	171.8	-1.9	112.8	H84 E85 L86 S90 D91 T92 V117	H84-R88 VanDerWaalsContact CE1-CZ 3.44Å; H84-R88 PolarHBondContact CE1-NE 3.22Å; H84-R88 WeakPolarHBondContact O-CG 3.47Å; H84-R88 PolarHBondContact O-N 2.91Å; H84-R88 VanDerWaalsContact O-N 3.12Å; E85-R88 WeakPolarHBondContact O-CB 3.46Å; E85-R88 PolarHBondContact O-N 3.4Å; L86-R88 VanDerWaalsContact C-N 3.33Å; R88-S90 VanDerWaalsContact C-N 3.32Å; R88-S90 PolarHBondContact O-N 3.04Å; R88-D91 PolarHBondContact O-N 3.45Å; R88-T92 WeakPolarHBondContact O-CG2 3.31Å; R88-T92 PolarHBondContact O-N 3.38Å; R88-V117 HydrophobicContact CG-CG2 4.46Å
89	E	80.8	Confident	80.7	Confident	109 Å²	109	82 Å²	82	51%	0.509	42%	0.423	S	S	.	.	H	α-helix	trans	-60.6	-43.5	177.1	-76.3	-171.5	170.4	0	0	111.1	E85 L86 D91 T92 L93	E85-E89 PolarHBondContact O-N 3.09Å; L86-E89 PolarHBondContact O-N 2.98Å; E89-D91 PolarHBondContact O-N 3.42Å; E89-T92 PolarHBondContact O-N 2.96Å; E89-T92 PolarHBondContact O-OG1 3.22Å; E89-L93 WeakPolarHBondContact O-CG 3.13Å; E89-L93 PolarHBondContact O-N 3.48Å
90	S	82.3	Confident	81.1	Confident	58 Å²	58	87 Å²	87	41%	0.406	44%	0.435	S	S	.	.	H	α-helix	trans	-57.6	-47.4	175	-176.4	0	0	0	0	112	L86 D87 R88 T92 L93 L94	L86-S90 WeakPolarHBondContact O-CB 3.31Å; L86-S90 PolarHBondContact O-N 2.97Å; D87-S90 WeakPolarHBondContact O-CB 3.16Å; D87-S90 PolarHBondContact O-N 3.35Å; R88-S90 VanDerWaalsContact C-N 3.32Å; R88-S90 PolarHBondContact O-N 3.04Å; S90-T92 VanDerWaalsContact C-N 3.31Å; S90-T92 PolarHBondContact O-N 2.85Å; S90-L93 WeakPolarHBondContact O-CB 3.2Å; S90-L93 PolarHBondContact O-N 2.9Å; S90-L93 VanDerWaalsContact O-N 3.14Å; S90-L94 PolarHBondContact O-N 2.69Å
91	D	84.7	Confident	81.4	Confident	17 Å²	17	89.5 Å²	89.5	9%	0.091	44%	0.44	C	S	.	.	H	α-helix	trans	-64.2	-36.1	179.3	-70.1	-5.8	0	0	0	111.9	D87 R88 E89 L94 K95 K115 A116 V117	D87-D91 VanDerWaalsContact O-CG 3.26Å; D87-D91 PolarHBondContact O-N 3.23Å; R88-D91 PolarHBondContact O-N 3.45Å; E89-D91 PolarHBondContact O-N 3.42Å; D91-L94 PolarHBondContact O-N 2.72Å; D91-K95 WeakPolarHBondContact O-CB 3.35Å; D91-K95 PolarHBondContact O-N 3.47Å; D91-K115 HydrophobicContact CB-CG 4.34Å; D91-K115 WeakPolarHBondContact OD1-CA 3.18Å; D91-A116 PolarHBondContact OD1-N 3.36Å; D91-A116 PolarHBondContact OD2-N 3.03Å; D91-V117 WeakPolarHBondContact OD2-CB 3.46Å; D91-V117 PolarHBondContact OD2-N 3.39Å
92	T	79.8	Confident	81.9	Confident	77 Å²	77	85.3 Å²	85.3	47%	0.472	42%	0.418	S	S	.	.	H	α-helix	trans	-66.3	-38.9	173.4	65.8	0	0	0	0	112.6	R88 E89 S90 K95 L96	R88-T92 WeakPolarHBondContact O-CG2 3.31Å; R88-T92 PolarHBondContact O-N 3.38Å; E89-T92 PolarHBondContact O-N 2.96Å; E89-T92 PolarHBondContact O-OG1 3.22Å; S90-T92 VanDerWaalsContact C-N 3.31Å; S90-T92 PolarHBondContact O-N 2.85Å; T92-K95 PolarHBondContact O-N 3.26Å; T92-L96 WeakPolarHBondContact O-CG 3.32Å; T92-L96 PolarHBondContact O-N 3.06Å
93	L	83.6	Confident	81.8	Confident	117 Å²	117	88.6 Å²	88.6	61%	0.613	43%	0.428	S	S	*	.	H	α-helix	trans	-67.3	-40.2	176.5	-71.7	174.4	0	0	0	111.7	E89 S90 L96 G97	E89-L93 WeakPolarHBondContact O-CG 3.13Å; E89-L93 PolarHBondContact O-N 3.48Å; S90-L93 WeakPolarHBondContact O-CB 3.2Å; S90-L93 PolarHBondContact O-N 2.9Å; S90-L93 VanDerWaalsContact O-N 3.14Å; L93-L96 PolarHBondContact O-N 3.1Å; L93-G97 PolarHBondContact O-N 2.96Å
94	L	83.5	Confident	81.5	Confident	43 Å²	43	89.8 Å²	89.8	23%	0.225	45%	0.446	C	S	.	.	H	α-helix	trans	-58.3	-48.4	172.1	-78.9	168.2	0	0	0	110.5	S90 D91 L96 G97 E98 F111 Y114	S90-L94 PolarHBondContact O-N 2.69Å; D91-L94 PolarHBondContact O-N 2.72Å; L94-L96 PolarHBondContact O-N 2.93Å; L94-G97 CarbonylContact O-C 3.59Å; L94-G97 WeakPolarHBondContact O-CA 3.25Å; L94-G97 PolarHBondContact O-N 3.03Å; L94-G97 VanDerWaalsContact O-N 3.12Å; L94-E98 WeakPolarHBondContact O-CB 3.47Å; L94-E98 PolarHBondContact O-N 3.43Å; L94-F111 HydrophobicContact CD2-CB 4.27Å; L94-F111 HydrophobicContact CD2-CD2 4.29Å; L94-F111 HydrophobicContact CD2-CG 4.49Å; L94-F111 WeakPolarHBondContact O-CD2 3.44Å; L94-Y114 VanDerWaalsContact CD1-O 3.23Å; L94-Y114 WeakPolarHBondContact CD1-O 3.34Å
95	K	82.5	Confident	81.4	Confident	117 Å²	117	91.7 Å²	91.7	51%	0.509	46%	0.459	S	S	.	.	H	α-helix	trans	-59.3	-45	177.9	-169.6	174.7	-178.2	172.5	0	112.6	D91 T92 G97 E98 E99	D91-K95 WeakPolarHBondContact O-CB 3.35Å; D91-K95 PolarHBondContact O-N 3.47Å; T92-K95 PolarHBondContact O-N 3.26Å; K95-G97 VanDerWaalsContact C-N 3.31Å; K95-G97 PolarHBondContact O-N 3.15Å; K95-E98 WeakPolarHBondContact O-CB 3.36Å; K95-E98 PolarHBondContact O-N 3.5Å; K95-E99 WeakPolarHBondContact O-CG 3.41Å; K95-E99 PolarHBondContact O-N 3.25Å
96	L	82.6	Confident	81.2	Confident	91 Å²	91	97.3 Å²	97.3	48%	0.476	48%	0.482	S	S	.	.	H	α-helix	trans	-63.9	-36.3	175.3	-72.5	172	0	0	0	112.5	T92 L93 L94 K100	T92-L96 WeakPolarHBondContact O-CG 3.32Å; T92-L96 PolarHBondContact O-N 3.06Å; L93-L96 PolarHBondContact O-N 3.1Å; L94-L96 PolarHBondContact O-N 2.93Å; L96-K100 WeakPolarHBondContact O-CB 3.4Å; L96-K100 WeakPolarHBondContact O-CG 3.4Å; L96-K100 PolarHBondContact O-N 3.36Å
97	G	83.1	Confident	80.8	Confident	28 Å²	28	98.4 Å²	98.4	29%	0.289	49%	0.492	S	S	.	.	H	α-helix	trans	-64.8	-43.7	173.3	0	0	0	0	0	112.1	L93 L94 K95 K100 Y101	L93-G97 PolarHBondContact O-N 2.96Å; L94-G97 CarbonylContact O-C 3.59Å; L94-G97 WeakPolarHBondContact O-CA 3.25Å; L94-G97 PolarHBondContact O-N 3.03Å; L94-G97 VanDerWaalsContact O-N 3.12Å; K95-G97 VanDerWaalsContact C-N 3.31Å; K95-G97 PolarHBondContact O-N 3.15Å; G97-K100 PolarHBondContact O-N 3.42Å; G97-Y101 WeakPolarHBondContact O-CB 3.21Å; G97-Y101 PolarHBondContact O-N 3.26Å
98	E	85.5	Confident	80.5	Confident	39 Å²	39	99.5 Å²	99.5	18%	0.182	51%	0.507	C	S	.	.	H	α-helix	trans	-61	-48.8	177.6	-171.8	171	155.3	0	0	110.7	L94 K95 K100 Y101 N102 L109 S110 F111	L94-E98 WeakPolarHBondContact O-CB 3.47Å; L94-E98 PolarHBondContact O-N 3.43Å; K95-E98 WeakPolarHBondContact O-CB 3.36Å; K95-E98 PolarHBondContact O-N 3.5Å; E98-K100 PolarHBondContact O-N 2.95Å; E98-Y101 PolarHBondContact O-N 2.91Å; E98-N102 WeakPolarHBondContact CG-ND2 3.38Å; E98-N102 WeakPolarHBondContact O-CB 3.42Å; E98-N102 VanDerWaalsContact O-CG 3.27Å; E98-N102 PolarHBondContact O-N 2.96Å; E98-N102 PolarHBondContact O-ND2 2.85Å; E98-L109 VanDerWaalsContact CG-O 3.28Å; E98-L109 WeakPolarHBondContact CG-O 3.24Å; E98-S110 WeakPolarHBondContact OE1-CA 3.39Å; E98-F111 HydrophobicContact CB-CD2 3.59Å; E98-F111 HydrophobicContact CB-CE2 3.9Å; E98-F111 HydrophobicContact CB-CG 4.3Å; E98-F111 HydrophobicContact CG-CD2 4.29Å; E98-F111 PolarHBondContact OE2-N 2.86Å
99	E	82.9	Confident	80.5	Confident	114 Å²	114	96.9 Å²	96.9	53%	0.533	50%	0.503	S	S	.	.	H	α-helix	trans	-60.4	-43.8	176.1	-71.9	175.3	-174.3	0	0	112.1	K95 Y101 N102 K103	K95-E99 WeakPolarHBondContact O-CG 3.41Å; K95-E99 PolarHBondContact O-N 3.25Å; E99-Y101 VanDerWaalsContact C-N 3.3Å; E99-Y101 PolarHBondContact O-N 3.35Å; E99-N102 PolarHBondContact O-N 3.18Å; E99-K103 PolarHBondContact O-N 2.83Å; E99-K103 VanDerWaalsContact O-N 3.09Å
100	K	84.3	Confident	80.5	Confident	158 Å²	158	95.4 Å²	95.4	69%	0.687	50%	0.504	S	S	*	.	H	α-helix	trans	-63.8	-33.9	176.7	-86.7	179.3	-179.8	170.6	0	113	L96 G97 E98 K103	L96-K100 WeakPolarHBondContact O-CB 3.4Å; L96-K100 WeakPolarHBondContact O-CG 3.4Å; L96-K100 PolarHBondContact O-N 3.36Å; G97-K100 PolarHBondContact O-N 3.42Å; E98-K100 PolarHBondContact O-N 2.95Å; K100-K103 WeakPolarHBondContact O-CE 3.39Å; K100-K103 WeakPolarHBondContact O-CG 3.36Å
101	Y	80.8	Confident	80.5	Confident	143 Å²	143	94.8 Å²	94.8	56%	0.561	50%	0.495	S	S	*	.	H	α-helix	trans	-77.9	-44.3	179.2	-158.6	-81.5	0	0	0	110.8	G97 E98 E99 L109	G97-Y101 WeakPolarHBondContact O-CB 3.21Å; G97-Y101 PolarHBondContact O-N 3.26Å; E98-Y101 PolarHBondContact O-N 2.91Å; E99-Y101 VanDerWaalsContact C-N 3.3Å; E99-Y101 PolarHBondContact O-N 3.35Å; Y101-L109 HydrophobicContact CD1-CB 4.48Å; Y101-L109 HydrophobicContact CD1-CD1 3.54Å; Y101-L109 HydrophobicContact CD1-CG 4.02Å; Y101-L109 HydrophobicContact CE1-CD1 3.24Å; Y101-L109 HydrophobicContact CE1-CG 3.92Å; Y101-L109 HydrophobicContact CE2-CD1 4.38Å; Y101-L109 HydrophobicContact CG-CD1 4.23Å
102	N	85.6	Confident	80.1	Confident	28 Å²	28	97.8 Å²	97.8	15%	0.15	51%	0.508	C	S	.	.	H	α-helix	trans	-76.8	-27	-172.6	-69.3	-19.9	0	0	0	114.1	E98 E99 C104 D105 A108 L109	E98-N102 WeakPolarHBondContact CG-ND2 3.38Å; E98-N102 WeakPolarHBondContact O-CB 3.42Å; E98-N102 VanDerWaalsContact O-CG 3.27Å; E98-N102 PolarHBondContact O-N 2.96Å; E98-N102 PolarHBondContact O-ND2 2.85Å; E99-N102 PolarHBondContact O-N 3.18Å; N102-C104 PolarHBondContact O-N 2.89Å; N102-D105 PolarHBondContact O-N 3.3Å; N102-A108 HydrophobicContact CB-CB 4.34Å; N102-A108 VanDerWaalsContact OD1-CA 3.31Å; N102-A108 WeakPolarHBondContact OD1-CA 3.31Å; N102-L109 PolarHBondContact ND2-O 3.07Å; N102-L109 PolarHBondContact OD1-N 3.43Å; N102-L109 PolarHBondContact OD1-O 2.71Å
103	K	78.7	Confident	79.9	Confident	172 Å²	172	99.7 Å²	99.7	75%	0.748	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	23.5	-90.4	176.3	-79.2	177.6	-177.8	-177.9	0	115.3	E99 K100	E99-K103 PolarHBondContact O-N 2.83Å; E99-K103 VanDerWaalsContact O-N 3.09Å; K100-K103 WeakPolarHBondContact O-CE 3.39Å; K100-K103 WeakPolarHBondContact O-CG 3.36Å
104	C	75	Confident	79.5	Confident	126 Å²	126	101 Å²	101	85%	0.851	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-132.7	18	-178.8	-53.4	0	0	0	0	112.2	N102	N102-C104 PolarHBondContact O-N 2.89Å
105	D	73.5	Confident	79.2	Confident	116 Å²	116	101 Å²	101	62%	0.62	51%	0.512	S	S	*	.			trans	-75.3	143	-179.1	-93.8	-19.7	0	0	0	111.1	N102 V107	N102-D105 PolarHBondContact O-N 3.3Å; D105-V107 PolarHBondContact O-N 3.37Å
106	K	73.6	Confident	78.8	Confident	217 Å²	217	98.2 Å²	98.2	94%	0.943	51%	0.51	S	S	*	.	S	Bend	trans	-68.8	-13.4	179	-69.5	-176.4	178.9	-179.7	0	113.4
107	V	72.7	Confident	78	Confident	117 Å²	117	95.7 Å²	95.7	71%	0.709	50%	0.498	S	S	*	.	S	Bend	trans	-127.2	118.2	179.8	-178.8	0	0	0	0	106.9	D105	D105-V107 PolarHBondContact O-N 3.37Å
108	A	77.6	Confident	76.9	Confident	71 Å²	71	99 Å²	99	59%	0.587	52%	0.515	S	S	*	.			trans	-94.8	142.9	178.4	0	0	0	0	0	110.7	N102	N102-A108 HydrophobicContact CB-CB 4.34Å; N102-A108 VanDerWaalsContact OD1-CA 3.31Å; N102-A108 WeakPolarHBondContact OD1-CA 3.31Å
109	L	77.4	Confident	75.5	Confident	77 Å²	77	102.6 Å²	102.6	40%	0.403	54%	0.535	S	S	.	.			trans	-90.2	139.5	163.4	-63.4	-177.7	0	0	0	108.5	E98 Y101 N102 F111	E98-L109 VanDerWaalsContact CG-O 3.28Å; E98-L109 WeakPolarHBondContact CG-O 3.24Å; Y101-L109 HydrophobicContact CD1-CB 4.48Å; Y101-L109 HydrophobicContact CD1-CD1 3.54Å; Y101-L109 HydrophobicContact CD1-CG 4.02Å; Y101-L109 HydrophobicContact CE1-CD1 3.24Å; Y101-L109 HydrophobicContact CE1-CG 3.92Å; Y101-L109 HydrophobicContact CE2-CD1 4.38Å; Y101-L109 HydrophobicContact CG-CD1 4.23Å; N102-L109 PolarHBondContact ND2-O 3.07Å; N102-L109 PolarHBondContact OD1-N 3.43Å; N102-L109 PolarHBondContact OD1-O 2.71Å; L109-F111 HydrophobicContact CB-CE1 4.19Å
110	S	81	Confident	73.7	Confident	77 Å²	77	103.3 Å²	103.3	54%	0.538	55%	0.547	S	S	.	.			trans	-110.5	136	171	176	0	0	0	0	109.7	E98 E112	E98-S110 WeakPolarHBondContact OE1-CA 3.39Å; S110-E112 PolarHBondContact OG-N 3.49Å
111	F	82	Confident	71.5	Confident	46 Å²	46	104.6 Å²	104.6	20%	0.202	56%	0.555	C	S	.	*			trans	-102.4	16.7	175.8	-59.3	-28	0	0	0	113	L94 E98 L109 N113 Y114	L94-F111 HydrophobicContact CD2-CB 4.27Å; L94-F111 HydrophobicContact CD2-CD2 4.29Å; L94-F111 HydrophobicContact CD2-CG 4.49Å; L94-F111 WeakPolarHBondContact O-CD2 3.44Å; E98-F111 HydrophobicContact CB-CD2 3.59Å; E98-F111 HydrophobicContact CB-CE2 3.9Å; E98-F111 HydrophobicContact CB-CG 4.3Å; E98-F111 HydrophobicContact CG-CD2 4.29Å; E98-F111 PolarHBondContact OE2-N 2.86Å; L109-F111 HydrophobicContact CB-CE1 4.19Å; F111-N113 PolarHBondContact O-N 3.45Å; F111-N113 VanDerWaalsContact O-N 3.14Å; F111-Y114 HydrophobicContact CB-CD2 4.01Å; F111-Y114 HydrophobicContact CD1-CD2 4.34Å; F111-Y114 HydrophobicContact CD1-CE2 4.38Å; F111-Y114 WeakPolarHBondContact O-CB 3.39Å; F111-Y114 PolarHBondContact O-N 3.15Å
112	E	77.5	Confident	69.1	Low	80 Å²	80	103.1 Å²	103.1	37%	0.374	57%	0.566	S	S	.	*	G	3₁₀ helix	trans	-53.7	-39.1	-177.4	-158.7	62.1	-153.4	0	0	113.1	S110 Y114 K115	S110-E112 PolarHBondContact OG-N 3.49Å; E112-Y114 PolarHBondContact O-N 3.49Å; E112-Y114 VanDerWaalsContact O-N 3.08Å; E112-K115 VanDerWaalsContact CD-NZ 3.33Å; E112-K115 PolarHBondContact O-N 3.41Å; E112-K115 IonicContact OE1-NZ 2.76Å; E112-K115 PolarHBondContact OE1-NZ 3.01Å; E112-K115 WeakPolarHBondContact OE2-CE 3.46Å; E112-K115 IonicContact OE2-NZ 3.18Å; E112-K115 PolarHBondContact OE2-NZ 2.9Å
113	N	74.8	Confident	66.5	Low	117 Å²	117	109 Å²	109	63%	0.626	60%	0.598	S	S	*	*	G	3₁₀ helix	trans	-67.8	-8.4	-180	-61.1	-11.6	0	0	0	114	F111	F111-N113 PolarHBondContact O-N 3.45Å; F111-N113 VanDerWaalsContact O-N 3.14Å
114	Y	74.4	Confident	64.2	Low	145 Å²	145	106 Å²	106	57%	0.569	60%	0.598	S	S	*	*	G	3₁₀ helix	trans	-107.8	-4	-179.5	-54.7	-77.9	0	0	0	112.8	L94 F111 E112	L94-Y114 VanDerWaalsContact CD1-O 3.23Å; L94-Y114 WeakPolarHBondContact CD1-O 3.34Å; F111-Y114 HydrophobicContact CB-CD2 4.01Å; F111-Y114 HydrophobicContact CD1-CD2 4.34Å; F111-Y114 HydrophobicContact CD1-CE2 4.38Å; F111-Y114 WeakPolarHBondContact O-CB 3.39Å; F111-Y114 PolarHBondContact O-N 3.15Å; E112-Y114 PolarHBondContact O-N 3.49Å; E112-Y114 VanDerWaalsContact O-N 3.08Å
115	K	77.7	Confident	62.2	Low	43 Å²	43	105.2 Å²	105.2	19%	0.187	59%	0.594	C	S	.	*			trans	-72.8	137	175.2	-69.2	-179.1	-177.2	163	0	110.4	D91 E112 D119	D91-K115 HydrophobicContact CB-CG 4.34Å; D91-K115 WeakPolarHBondContact OD1-CA 3.18Å; E112-K115 VanDerWaalsContact CD-NZ 3.33Å; E112-K115 PolarHBondContact O-N 3.41Å; E112-K115 IonicContact OE1-NZ 2.76Å; E112-K115 PolarHBondContact OE1-NZ 3.01Å; E112-K115 WeakPolarHBondContact OE2-CE 3.46Å; E112-K115 IonicContact OE2-NZ 3.18Å; E112-K115 PolarHBondContact OE2-NZ 2.9Å; K115-D119 IonicContact NZ-OD2 3.96Å; K115-D119 PolarHBondContact NZ-OD2 2.87Å
116	A	74.1	Confident	60.2	Low	58 Å²	58	103.2 Å²	103.2	48%	0.479	60%	0.601	S	S	.	*	S	Bend	trans	-81.6	-34.3	176.4	0	0	0	0	0	111.7	D87 D91	D87-A116 HydrophobicContact CB-CB 3.85Å; D91-A116 PolarHBondContact OD1-N 3.36Å; D91-A116 PolarHBondContact OD2-N 3.03Å
117	V	66.4	Low	58.2	Low	38 Å²	38	98.6 Å²	98.6	23%	0.23	59%	0.593	C	S	.	*	S	Bend	trans	-105.5	118	-178.9	-171.3	0	0	0	0	109.4	D87 R88 D91 D119	D87-V117 HydrophobicContact CB-CG2 4.07Å; R88-V117 HydrophobicContact CG-CG2 4.46Å; D91-V117 WeakPolarHBondContact OD2-CB 3.46Å; D91-V117 PolarHBondContact OD2-N 3.39Å; V117-D119 PolarHBondContact O-N 3.09Å
118	P	59.2	Low	56.3	Low	98 Å²	98	101.1 Å²	101.1	64%	0.636	60%	0.603	S	S	*	*			trans	-60.1	136.6	172.5	-19.5	30.7	0	0	0	110.3	V120	P118-V120 VanDerWaalsContact C-N 3.32Å; P118-V120 WeakPolarHBondContact O-CG2 3.49Å; P118-V120 PolarHBondContact O-N 2.83Å
119	D	55.3	Low	54.3	Low	113 Å²	113	104.6 Å²	104.6	60%	0.604	61%	0.611	S	S	*	*			trans	-63.9	93.2	171	-80.6	-38.3	0	0	0	108.9	K115 V117 E121	K115-D119 IonicContact NZ-OD2 3.96Å; K115-D119 PolarHBondContact NZ-OD2 2.87Å; V117-D119 PolarHBondContact O-N 3.09Å; D119-E121 PolarHBondContact O-N 3.05Å
120	V	45.6	Very low	52	Low	129 Å²	129	108.3 Å²	108.3	78%	0.782	63%	0.632	S	S	*	*			trans	-80.8	95.5	173.1	-160.4	0	0	0	0	107.4	P118 S122	P118-V120 VanDerWaalsContact C-N 3.32Å; P118-V120 WeakPolarHBondContact O-CG2 3.49Å; P118-V120 PolarHBondContact O-N 2.83Å; V120-S122 PolarHBondContact O-N 3.29Å; V120-S122 VanDerWaalsContact O-N 3.14Å
121	E	38.8	Very low	49.8	Very low	185 Å²	185	110.5 Å²	110.5	86%	0.864	64%	0.638	S	S	*	*			trans	-61.5	117.1	163.9	-71.3	-153.4	163.2	0	0	108.7	D119 D123	D119-E121 PolarHBondContact O-N 3.05Å; E121-D123 PolarHBondContact O-N 3Å
122	S	29.8	Very low	47.4	Very low	112 Å²	112	116.7 Å²	116.7	78%	0.783	67%	0.672	S	S	*	*			trans	-60.6	100	175.6	166.5	0	0	0	0	110.1	V120	V120-S122 PolarHBondContact O-N 3.29Å; V120-S122 VanDerWaalsContact O-N 3.14Å
123	D	32	Very low	45.4	Very low	153 Å²	153	120.2 Å²	120.2	82%	0.818	69%	0.688	S	S	*	*			trans	-158.4	117.3	147.6	-98	-20.6	0	0	0	112.1	E121	E121-D123 PolarHBondContact O-N 3Å
124	S	30.1	Very low	43.5	Very low	108 Å²	108	124.9 Å²	124.9	76%	0.755	70%	0.699	S	S	*	*			trans	73.4	113.4	144.6	-162.6	0	0	0	0	121.1
125	S	32.9	Very low	41.5	Very low	109 Å²	109	126.3 Å²	126.3	76%	0.762	71%	0.71	S	S	*	*			trans	74.1	106.2	136.5	60.4	0	0	0	0	121.6
126	G	31.9	Very low	39.6	Very low	75 Å²	75	130.4 Å²	130.4	77%	0.773	73%	0.734	S	S	*	*				94.5	135.6	128.9	0	0	0	0	0	116.9
127	P	30.5	Very low	38.1	Very low	119 Å²	119	135.2 Å²	135.2	77%	0.773	74%	0.741	S	S	*	*			trans	-94.6	126.9	-161	35.5	-26.1	0	0	0	111.6
128	D	32.5	Very low	36.7	Very low	170 Å²	170	138.6 Å²	138.6	91%	0.909	75%	0.754	S	S	*	*			trans	-175	103.8	161	-83.2	-34	0	0	0	106.6
129	D	36	Very low	36.1	Very low	144 Å²	144	135.2 Å²	135.2	77%	0.77	73%	0.731	S	S	*	*			trans	-178.9	98.1	135.8	-152	2.6	0	0	0	110.4	N131	D129-N131 VanDerWaalsContact C-N 3.31Å; D129-N131 PolarHBondContact O-N 3.5Å
130	D	30.6	Very low	35.8	Very low	156 Å²	156	134.5 Å²	134.5	83%	0.834	73%	0.727	S	S	*	*			trans	-69.4	83.5	164.4	-71.2	-43.4	0	0	0	109.2
131	N	34	Very low	35.9	Very low	123 Å²	123	139.5 Å²	139.5	66%	0.658	73%	0.732	S	S	*	*			trans	-177.4	91.1	161.3	-100.1	-35.2	0	0	0	112.5	D129	D129-N131 VanDerWaalsContact C-N 3.31Å; D129-N131 PolarHBondContact O-N 3.5Å
132	L	31.8	Very low	36.5	Very low	175 Å²	175	137.6 Å²	137.6	92%	0.916	73%	0.727	S	S	*	*			trans	-112.4	62.4	159.1	-80.4	158.9	0	0	0	109.1
133	E	34.3	Very low	37.9	Very low	154 Å²	154	133.7 Å²	133.7	72%	0.72	70%	0.696	S	S	*	*			trans	-69.5	124.2	157.4	-171.4	179	-176.6	0	0	107.2	Q135	E133-Q135 PolarHBondContact O-N 3.14Å
134	Y	35.2	Very low	39.2	Very low	216 Å²	216	134.9 Å²	134.9	85%	0.847	69%	0.694	S	S	*	*			trans	-28.1	108.3	172.1	-104.3	-104	0	0	0	111.1	N136	Y134-N136 PolarHBondContact O-N 3.46Å
135	Q	32.4	Very low	40.9	Very low	175 Å²	175	136.4 Å²	136.4	82%	0.818	69%	0.687	S	S	*	*			trans	-63.8	89.9	174.7	-85.6	179.5	-5.4	0	0	108.2	E133 Y137	E133-Q135 PolarHBondContact O-N 3.14Å; Q135-Y137 PolarHBondContact O-N 3.23Å
136	N	37.6	Very low	42.6	Very low	128 Å²	128	132.4 Å²	132.4	68%	0.684	66%	0.658	S	S	*	*			trans	-47.2	115.6	161.2	-87.7	-65.1	0	0	0	106.7	Y134 Q138	Y134-N136 PolarHBondContact O-N 3.46Å; N136-Q138 PolarHBondContact O-N 2.61Å
137	Y	42.3	Very low	44.3	Very low	159 Å²	159	134.3 Å²	134.3	62%	0.624	66%	0.659	S	S	*	*			trans	-57.3	89.3	169.1	-72.7	-86.3	0	0	0	108.1	Q135 I139	Q135-Y137 PolarHBondContact O-N 3.23Å; Y137-I139 PolarHBondContact O-N 3.19Å
138	Q	37.6	Very low	46.4	Very low	109 Å²	109	131.6 Å²	131.6	51%	0.509	63%	0.634	S	S	.	*			trans	-69.7	99.8	176	-77.5	179.6	16.5	0	0	107	N136 D140	N136-Q138 PolarHBondContact O-N 2.61Å; Q138-D140 VanDerWaalsContact C-N 3.34Å; Q138-D140 CarbonylContact O-C 3.58Å; Q138-D140 PolarHBondContact O-N 3.01Å
139	I	46.4	Very low	48.2	Very low	28 Å²	28	126 Å²	126	14%	0.144	62%	0.617	C	S	.	*	S	Bend	trans	-52.3	106.5	157	-56.4	174.1	0	0	0	105	Y137 L175 F178	Y137-I139 PolarHBondContact O-N 3.19Å; I139-L175 HydrophobicContact CD1-CD2 3.37Å; I139-L175 HydrophobicContact CD1-CG 3.9Å; I139-L175 HydrophobicContact CG1-CD2 3.84Å; I139-F178 HydrophobicContact CD1-CD2 4.03Å; I139-F178 HydrophobicContact CD1-CE2 3.43Å; I139-F178 VanDerWaalsContact CD1-CE2 3.43Å; I139-F178 HydrophobicContact CD1-CZ 4.32Å; I139-F178 HydrophobicContact CG1-CE2 4.42Å
140	D	48.7	Very low	50	Low	97 Å²	97	125 Å²	125	52%	0.519	63%	0.629	S	S	.	*	S	Bend	trans	72.9	105.5	-167.9	-156.6	-2.3	0	0	0	113.2	Q138 N142 Y143	Q138-D140 VanDerWaalsContact C-N 3.34Å; Q138-D140 CarbonylContact O-C 3.58Å; Q138-D140 PolarHBondContact O-N 3.01Å; D140-N142 PolarHBondContact O-N 2.94Å; D140-N142 PolarHBondContact OD1-N 3.38Å; D140-Y143 PolarHBondContact O-N 2.9Å
141	R	48.3	Very low	51.9	Low	234 Å²	234	122.3 Å²	122.3	88%	0.883	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.6	-17	172.7	-72.9	-172	-170.9	-174.1	1.8	112.5
142	N	52.2	Low	53.9	Low	145 Å²	145	117.3 Å²	117.3	78%	0.775	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.8	-11	176.8	-67.4	-23.3	0	0	0	113.9	D140 K144	D140-N142 PolarHBondContact O-N 2.94Å; D140-N142 PolarHBondContact OD1-N 3.38Å; N142-K144 PolarHBondContact O-N 3.42Å
143	Y	57.9	Low	56.2	Low	31 Å²	31	111.8 Å²	111.8	12%	0.122	57%	0.573	C	S	.	*			trans	-89.1	93.3	-179.4	-176.3	-100.9	0	0	0	111.4	D140 K145 P146 L168	D140-Y143 PolarHBondContact O-N 2.9Å; Y143-K145 HydrophobicContact CE1-CB 4.36Å; Y143-K145 PolarHBondContact O-N 3.42Å; Y143-P146 WeakPolarHBondContact OH-CD 3.42Å; Y143-L168 WeakPolarHBondContact OH-CD2 3.32Å
144	K	61	Low	58.5	Low	178 Å²	178	105.8 Å²	105.8	77%	0.774	55%	0.546	S	S	*	.			trans	-72.9	112.5	162.7	-74.3	-174.5	177.1	-176.6	0	109.5	N142 P146	N142-K144 PolarHBondContact O-N 3.42Å; K144-P146 WeakPolarHBondContact O-CD 3.24Å
145	K	65.8	Low	60.6	Low	139 Å²	139	101.8 Å²	101.8	60%	0.604	53%	0.533	S	S	*	.	P	Polyproline II helix	trans	-51.9	120.4	170.7	-176.9	-179.9	-178	-178.6	0	108.5	Y143 C147	Y143-K145 HydrophobicContact CE1-CB 4.36Å; Y143-K145 PolarHBondContact O-N 3.42Å; K145-C147 PolarHBondContact O-N 3.21Å
146	P	68	Low	62.6	Low	25 Å²	25	97.6 Å²	97.6	16%	0.162	51%	0.512	C	S	.	.	P	Polyproline II helix	trans	-66.8	129.8	-179	22.3	-28.9	0	0	0	110.7	Y143 K144 F148 I154 L168	Y143-P146 WeakPolarHBondContact OH-CD 3.42Å; K144-P146 WeakPolarHBondContact O-CD 3.24Å; P146-F148 HydrophobicContact CG-CE2 4.32Å; P146-I154 HydrophobicContact CB-CD1 3.28Å; P146-I154 HydrophobicContact CG-CD1 3.9Å; P146-L168 HydrophobicContact CG-CD1 4.02Å; P146-L168 HydrophobicContact CG-CD2 3.72Å
147	C	68.5	Low	64.5	Low	116 Å²	116	98.5 Å²	98.5	78%	0.784	52%	0.517	S	S	*	.	P	Polyproline II helix	trans	-83.8	119.9	172.2	46	0	0	0	0	109.8	K145 I154	K145-C147 PolarHBondContact O-N 3.21Å; C147-I154 WeakPolarHBondContact O-CG2 3.15Å
148	F	73.3	Confident	66.3	Low	61 Å²	61	93.7 Å²	93.7	27%	0.268	52%	0.516	S	S	.	.	P	Polyproline II helix	trans	-88.7	121	174.8	-67.6	-85.2	0	0	0	109	P146 G152 I154 K163 L168	P146-F148 HydrophobicContact CG-CE2 4.32Å; F148-G152 WeakPolarHBondContact CD1-O 3.35Å; F148-I154 HydrophobicContact CD1-CG2 3.71Å; F148-I154 HydrophobicContact CE1-CB 4.41Å; F148-I154 HydrophobicContact CE1-CD1 4.02Å; F148-I154 HydrophobicContact CE1-CG1 3.9Å; F148-I154 HydrophobicContact CE1-CG2 3.94Å; F148-I154 HydrophobicContact CG-CG2 4.34Å; F148-I154 HydrophobicContact CZ-CD1 4.09Å; F148-I154 HydrophobicContact CZ-CG1 4.44Å; F148-K163 HydrophobicContact CD1-CB 4.2Å; F148-K163 HydrophobicContact CD2-CB 4.02Å; F148-K163 HydrophobicContact CE1-CB 4.15Å; F148-K163 HydrophobicContact CE2-CB 3.95Å; F148-K163 HydrophobicContact CG-CB 4.14Å; F148-K163 VanDerWaalsContact CZ-CA 3.41Å; F148-K163 HydrophobicContact CZ-CB 4.02Å; F148-L168 HydrophobicContact CE2-CD1 4.21Å; F148-L168 HydrophobicContact CZ-CD1 3.59Å
149	G	70.2	Confident	68.4	Low	53 Å²	53	95.9 Å²	95.9	55%	0.546	52%	0.524	S	S	.	.			trans	-69.3	-177.9	168.1	0	0	0	0	0	112	S151 G152	G149-S151 PolarHBondContact O-N 3.34Å; G149-G152 PolarHBondContact O-N 3.1Å
150	A	73.6	Confident	70.1	Confident	124 Å²	124	103.2 Å²	103.2	100%	1.025	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-52.4	-27	-179.5	0	0	0	0	0	114.3	G152	A150-G152 VanDerWaalsContact C-N 3.28Å; A150-G152 PolarHBondContact O-N 3.16Å
151	S	71.4	Confident	71.7	Confident	99 Å²	99	99.9 Å²	99.9	69%	0.692	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-21.3	176.6	-170.2	0	0	0	0	114.1	G149 V153	G149-S151 PolarHBondContact O-N 3.34Å; S151-V153 PolarHBondContact O-N 3.48Å; S151-V153 VanDerWaalsContact OG-CG2 3.28Å; S151-V153 WeakPolarHBondContact OG-CG2 3.36Å
152	G	75.2	Confident	73.4	Confident	18 Å²	18	90.7 Å²	90.7	19%	0.186	51%	0.505	C	S	.	.	S	Bend	trans	71.8	5.7	179.5	0	0	0	0	0	115.6	F148 G149 A150 K163	F148-G152 WeakPolarHBondContact CD1-O 3.35Å; G149-G152 PolarHBondContact O-N 3.1Å; A150-G152 VanDerWaalsContact C-N 3.28Å; A150-G152 PolarHBondContact O-N 3.16Å; G152-K163 PolarHBondContact O-N 3.05Å
153	V	80.4	Confident	74.5	Confident	58 Å²	58	89.4 Å²	89.4	35%	0.352	49%	0.493	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	145.7	176	-77.1	0	0	0	0	110.7	S151 V161	S151-V153 PolarHBondContact O-N 3.48Å; S151-V153 VanDerWaalsContact OG-CG2 3.28Å; S151-V153 WeakPolarHBondContact OG-CG2 3.36Å; V153-V161 WeakPolarHBondContact CA-O 3.36Å
154	I	81.7	Confident	75.3	Confident	28 Å²	28	94.6 Å²	94.6	14%	0.144	52%	0.518	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	150.9	173	63.7	-177.2	0	0	0	108.8	P146 C147 F148 Y160 V161	P146-I154 HydrophobicContact CB-CD1 3.28Å; P146-I154 HydrophobicContact CG-CD1 3.9Å; C147-I154 WeakPolarHBondContact O-CG2 3.15Å; F148-I154 HydrophobicContact CD1-CG2 3.71Å; F148-I154 HydrophobicContact CE1-CB 4.41Å; F148-I154 HydrophobicContact CE1-CD1 4.02Å; F148-I154 HydrophobicContact CE1-CG1 3.9Å; F148-I154 HydrophobicContact CE1-CG2 3.94Å; F148-I154 HydrophobicContact CG-CG2 4.34Å; F148-I154 HydrophobicContact CZ-CD1 4.09Å; F148-I154 HydrophobicContact CZ-CG1 4.44Å; I154-Y160 WeakPolarHBondContact O-CA 3.39Å; I154-V161 HydrophobicContact CD1-CB 4.42Å; I154-V161 HydrophobicContact CG1-CB 3.95Å; I154-V161 WeakPolarHBondContact CG1-O 3.33Å; I154-V161 PolarHBondContact N-O 3.23Å; I154-V161 PolarHBondContact O-N 3.29Å
155	F	80.7	Confident	76.3	Confident	132 Å²	132	89 Å²	89	58%	0.579	50%	0.497	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.9	112.8	170.3	-167.6	-102.3	0	0	0	108.7	Y160	F155-Y160 HydrophobicContact CD2-CD1 4.1Å; F155-Y160 HydrophobicContact CD2-CD2 4.13Å; F155-Y160 AromaticContact CD2-CE1 3.99Å; F155-Y160 HydrophobicContact CD2-CE1 3.99Å; F155-Y160 HydrophobicContact CD2-CE2 4.02Å; F155-Y160 HydrophobicContact CD2-CG 4.17Å; F155-Y160 AromaticContact CD2-CZ 3.96Å; F155-Y160 HydrophobicContact CE2-CD2 4.33Å; F155-Y160 HydrophobicContact CE2-CE2 4.12Å
156	K	73.8	Confident	77.1	Confident	87 Å²	87	91.3 Å²	91.3	38%	0.378	51%	0.507	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	133.9	-179	-166	-178.7	174.9	176.8	0	109.5	G158 K159 V161	K156-G158 VanDerWaalsContact C-N 3.28Å; K156-G158 PolarHBondContact O-N 3.44Å; K156-K159 PolarHBondContact N-O 2.9Å; K156-K159 PolarHBondContact O-N 3.05Å; K156-V161 HydrophobicContact CB-CG2 4.25Å
157	D	76.8	Confident	77.8	Confident	147 Å²	147	92.8 Å²	92.8	79%	0.786	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.3	41.1	177	-52.4	-36.8	0	0	0	114.2	K159	D157-K159 VanDerWaalsContact C-N 3.26Å; D157-K159 PolarHBondContact O-N 2.85Å
158	G	80.9	Confident	78.5	Confident	58 Å²	58	87.8 Å²	87.8	60%	0.598	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.3	6.8	178.4	0	0	0	0	0	115.2	K156	K156-G158 VanDerWaalsContact C-N 3.28Å; K156-G158 PolarHBondContact O-N 3.44Å
159	K	82.5	Confident	78.9	Confident	155 Å²	155	86.4 Å²	86.4	67%	0.674	48%	0.478	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.6	149.8	178.9	-64.8	-179.4	-176.6	174.9	0	111.5	K156 D157 V161	K156-K159 PolarHBondContact N-O 2.9Å; K156-K159 PolarHBondContact O-N 3.05Å; D157-K159 VanDerWaalsContact C-N 3.26Å; D157-K159 PolarHBondContact O-N 2.85Å; K159-V161 PolarHBondContact O-N 3.43Å
160	Y	82.2	Confident	79.7	Confident	182 Å²	182	84.1 Å²	84.1	71%	0.714	45%	0.454	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.4	119.8	167.3	-70.2	-84.1	0	0	0	109.1	I154 F155	I154-Y160 WeakPolarHBondContact O-CA 3.39Å; F155-Y160 HydrophobicContact CD2-CD1 4.1Å; F155-Y160 HydrophobicContact CD2-CD2 4.13Å; F155-Y160 AromaticContact CD2-CE1 3.99Å; F155-Y160 HydrophobicContact CD2-CE1 3.99Å; F155-Y160 HydrophobicContact CD2-CE2 4.02Å; F155-Y160 HydrophobicContact CD2-CG 4.17Å; F155-Y160 AromaticContact CD2-CZ 3.96Å; F155-Y160 HydrophobicContact CE2-CD2 4.33Å; F155-Y160 HydrophobicContact CE2-CE2 4.12Å
161	V	81	Confident	80.2	Confident	27 Å²	27	81.2 Å²	81.2	16%	0.164	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	125.4	176.6	-174.2	0	0	0	0	107.3	V153 I154 K156 K159 D165 L168	V153-V161 WeakPolarHBondContact CA-O 3.36Å; I154-V161 HydrophobicContact CD1-CB 4.42Å; I154-V161 HydrophobicContact CG1-CB 3.95Å; I154-V161 WeakPolarHBondContact CG1-O 3.33Å; I154-V161 PolarHBondContact N-O 3.23Å; I154-V161 PolarHBondContact O-N 3.29Å; K156-V161 HydrophobicContact CB-CG2 4.25Å; K159-V161 PolarHBondContact O-N 3.43Å; V161-D165 HydrophobicContact CG1-CB 3.55Å; V161-L168 HydrophobicContact CG1-CD1 3.51Å; V161-L168 HydrophobicContact CG1-CG 4.37Å
162	S	83.7	Confident	80.7	Confident	41 Å²	41	78.4 Å²	78.4	29%	0.287	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	165.1	174.2	82.6	0	0	0	0	111	H164 D165	S162-H164 PolarHBondContact O-N 3.36Å; S162-H164 PolarHBondContact OG-N 3.04Å; S162-H164 VanDerWaalsContact OG-N 3.11Å; S162-D165 WeakPolarHBondContact O-CB 3.24Å; S162-D165 PolarHBondContact O-N 2.97Å
163	K	76.2	Confident	81.1	Confident	118 Å²	118	78 Å²	78	51%	0.513	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-17.2	170.3	69	-179.5	-177.3	-179	0	114.4	F148 G152	F148-K163 HydrophobicContact CD1-CB 4.2Å; F148-K163 HydrophobicContact CD2-CB 4.02Å; F148-K163 HydrophobicContact CE1-CB 4.15Å; F148-K163 HydrophobicContact CE2-CB 3.95Å; F148-K163 HydrophobicContact CG-CB 4.14Å; F148-K163 VanDerWaalsContact CZ-CA 3.41Å; F148-K163 HydrophobicContact CZ-CB 4.02Å; G152-K163 PolarHBondContact O-N 3.05Å
164	H	75	Confident	81.4	Confident	141 Å²	141	75.4 Å²	75.4	65%	0.653	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.4	12	178.8	-52.2	108	0	0	0	113.4	S162 K166	S162-H164 PolarHBondContact O-N 3.36Å; S162-H164 PolarHBondContact OG-N 3.04Å; S162-H164 VanDerWaalsContact OG-N 3.11Å; H164-K166 PolarHBondContact O-N 3.07Å
165	D	81.8	Confident	81.3	Confident	60 Å²	60	76.4 Å²	76.4	32%	0.321	38%	0.377	S	S	.	.			trans	-58	135.6	172.2	177.3	61.8	0	0	0	110.9	V161 S162 V167 L168 C169	V161-D165 HydrophobicContact CG1-CB 3.55Å; S162-D165 WeakPolarHBondContact O-CB 3.24Å; S162-D165 PolarHBondContact O-N 2.97Å; D165-V167 VanDerWaalsContact C-N 3.27Å; D165-V167 PolarHBondContact O-N 2.9Å; D165-V167 WeakPolarHBondContact OD2-CB 3.28Å; D165-V167 PolarHBondContact OD2-N 2.93Å; D165-V167 VanDerWaalsContact OD2-N 3.16Å; D165-L168 HydrophobicContact CB-CB 4.15Å; D165-L168 HydrophobicContact CB-CD1 4.09Å; D165-L168 HydrophobicContact CB-CG 4.12Å; D165-L168 PolarHBondContact O-N 3.38Å; D165-L168 PolarHBondContact OD2-N 3.15Å; D165-C169 WeakPolarHBondContact O-CB 3.23Å; D165-C169 PolarHBondContact O-N 2.7Å
166	K	82.8	Confident	81.3	Confident	188 Å²	188	75.3 Å²	75.3	82%	0.817	37%	0.372	S	S	*	.	H	α-helix	trans	-61.5	-37	-172.3	-72.4	-177.3	180	178.3	0	111.9	H164 G170	H164-K166 PolarHBondContact O-N 3.07Å; K166-G170 PolarHBondContact O-N 3.45Å
167	V	83.1	Confident	81.8	Confident	55 Å²	55	71.7 Å²	71.7	33%	0.333	36%	0.358	S	S	.	.	H	α-helix	trans	-73.6	-46.3	-179.3	176.2	0	0	0	0	109.9	D165 G170 R171	D165-V167 VanDerWaalsContact C-N 3.27Å; D165-V167 PolarHBondContact O-N 2.9Å; D165-V167 WeakPolarHBondContact OD2-CB 3.28Å; D165-V167 PolarHBondContact OD2-N 2.93Å; D165-V167 VanDerWaalsContact OD2-N 3.16Å; V167-G170 PolarHBondContact O-N 2.84Å; V167-R171 WeakPolarHBondContact O-CG 3.45Å; V167-R171 PolarHBondContact O-N 2.99Å
168	L	81.6	Confident	81.9	Confident	12 Å²	12	67.4 Å²	67.4	6%	0.063	33%	0.332	C	S	.	.	H	α-helix	trans	-62.4	-44.3	176.4	-67.6	-177.8	0	0	0	112.6	Y143 P146 F148 V161 D165 G170 R171 N172	Y143-L168 WeakPolarHBondContact OH-CD2 3.32Å; P146-L168 HydrophobicContact CG-CD1 4.02Å; P146-L168 HydrophobicContact CG-CD2 3.72Å; F148-L168 HydrophobicContact CE2-CD1 4.21Å; F148-L168 HydrophobicContact CZ-CD1 3.59Å; V161-L168 HydrophobicContact CG1-CD1 3.51Å; V161-L168 HydrophobicContact CG1-CG 4.37Å; D165-L168 HydrophobicContact CB-CB 4.15Å; D165-L168 HydrophobicContact CB-CD1 4.09Å; D165-L168 HydrophobicContact CB-CG 4.12Å; D165-L168 PolarHBondContact O-N 3.38Å; D165-L168 PolarHBondContact OD2-N 3.15Å; L168-G170 VanDerWaalsContact C-N 3.34Å; L168-R171 PolarHBondContact O-N 2.98Å; L168-N172 VanDerWaalsContact O-CB 3.3Å; L168-N172 WeakPolarHBondContact O-CB 3.26Å; L168-N172 PolarHBondContact O-N 3.29Å; L168-N172 PolarHBondContact O-ND2 2.99Å
169	C	83.3	Confident	81.8	Confident	32 Å²	32	71 Å²	71	22%	0.216	34%	0.337	C	S	.	.	H	α-helix	trans	-64.6	-41.1	175.9	-172.4	0	0	0	0	110.8	D165 N172 N173 N198	D165-C169 WeakPolarHBondContact O-CB 3.23Å; D165-C169 PolarHBondContact O-N 2.7Å; C169-N172 PolarHBondContact O-N 3.43Å; C169-N173 WeakPolarHBondContact O-CB 3.4Å; C169-N173 PolarHBondContact O-N 3.41Å; C169-N173 PolarHBondContact O-ND2 3.4Å; C169-N198 PolarHBondContact SG-OD1 3.07Å
170	G	85.8	Confident	81.8	Confident	4 Å²	4	64.9 Å²	64.9	4%	0.041	31%	0.311	C	S	.	.	H	α-helix	trans	-58.7	-48.3	175.6	0	0	0	0	0	113.3	K166 V167 L168 N173 T174 L196	K166-G170 PolarHBondContact O-N 3.45Å; V167-G170 PolarHBondContact O-N 2.84Å; L168-G170 VanDerWaalsContact C-N 3.34Å; G170-N173 PolarHBondContact O-N 3.22Å; G170-T174 PolarHBondContact O-N 3.33Å; G170-T174 VanDerWaalsContact O-N 3.13Å; G170-T174 PolarHBondContact O-OG1 2.95Å; G170-L196 WeakPolarHBondContact CA-O 3.36Å; G170-L196 PolarHBondContact O-N 3.33Å; G170-L196 VanDerWaalsContact O-N 3.07Å
171	R	84.1	Confident	81.4	Confident	63 Å²	63	58.6 Å²	58.6	24%	0.238	29%	0.292	C	S	.	.	H	α-helix	trans	-67.3	-41.5	176.3	-71	-175	174.2	146.3	0	112.5	V167 L168 N173 T174 L175 D193 Q195	V167-R171 WeakPolarHBondContact O-CG 3.45Å; V167-R171 PolarHBondContact O-N 2.99Å; L168-R171 PolarHBondContact O-N 2.98Å; R171-N173 VanDerWaalsContact C-N 3.29Å; R171-N173 PolarHBondContact O-N 3.39Å; R171-T174 WeakPolarHBondContact O-CB 3.44Å; R171-T174 PolarHBondContact O-N 3.09Å; R171-L175 PolarHBondContact O-N 3.44Å; R171-D193 IonicContact CZ-OD1 3.39Å; R171-D193 IonicContact CZ-OD2 2.72Å; R171-D193 IonicContact NE-OD1 2.74Å; R171-D193 PolarHBondContact NE-OD1 3.4Å; R171-D193 IonicContact NE-OD2 3.51Å; R171-D193 IonicContact NH2-OD1 2.82Å; R171-D193 PolarHBondContact NH2-OD1 3.15Å; R171-D193 IonicContact NH2-OD2 3.67Å; R171-D193 PolarHBondContact NH2-OD2 3.01Å; R171-Q195 HydrophobicContact CG-CG 3.99Å
172	N	81.8	Confident	80.8	Confident	40 Å²	40	62.4 Å²	62.4	21%	0.214	32%	0.318	C	S	.	.	H	α-helix	trans	-63	-36	175.8	-81.4	-25.5	0	0	0	112.3	L168 C169 L175 K176	L168-N172 VanDerWaalsContact O-CB 3.3Å; L168-N172 WeakPolarHBondContact O-CB 3.26Å; L168-N172 PolarHBondContact O-N 3.29Å; L168-N172 PolarHBondContact O-ND2 2.99Å; C169-N172 PolarHBondContact O-N 3.43Å; N172-L175 PolarHBondContact O-N 3.32Å; N172-K176 VanDerWaalsContact O-CG 3.32Å; N172-K176 WeakPolarHBondContact O-CG 3.37Å; N172-K176 PolarHBondContact O-N 3.24Å; N172-K176 VanDerWaalsContact O-N 3.12Å
173	N	85	Confident	80.2	Confident	9 Å²	9	65.1 Å²	65.1	5%	0.048	33%	0.326	C	S	.	.	H	α-helix	trans	-66.9	-40.5	174.1	-72.6	-18.7	0	0	0	111.7	C169 G170 R171 K176 V177 L196 N198 F201	C169-N173 WeakPolarHBondContact O-CB 3.4Å; C169-N173 PolarHBondContact O-N 3.41Å; C169-N173 PolarHBondContact O-ND2 3.4Å; G170-N173 PolarHBondContact O-N 3.22Å; R171-N173 VanDerWaalsContact C-N 3.29Å; R171-N173 PolarHBondContact O-N 3.39Å; N173-K176 PolarHBondContact O-N 3.18Å; N173-V177 WeakPolarHBondContact O-CG2 3.45Å; N173-V177 PolarHBondContact O-N 3.04Å; N173-L196 HydrophobicContact CB-CB 3.96Å; N173-L196 WeakPolarHBondContact CB-O 3.43Å; N173-L196 PolarHBondContact ND2-O 3.16Å; N173-N198 PolarHBondContact ND2-OD1 3.12Å; N173-F201 HydrophobicContact CB-CB 3.99Å; N173-F201 HydrophobicContact CB-CD2 4.04Å; N173-F201 HydrophobicContact CB-CG 4.04Å; N173-F201 WeakPolarHBondContact O-CD2 3.47Å
174	T	84.6	Confident	80.1	Confident	5 Å²	5	61.4 Å²	61.4	3%	0.031	31%	0.31	C	S	.	.	H	α-helix	trans	-61.9	-44.8	174.2	-49.2	0	0	0	0	111.2	G170 R171 K176 V177 F178 V194 L196	G170-T174 PolarHBondContact O-N 3.33Å; G170-T174 VanDerWaalsContact O-N 3.13Å; G170-T174 PolarHBondContact O-OG1 2.95Å; R171-T174 WeakPolarHBondContact O-CB 3.44Å; R171-T174 PolarHBondContact O-N 3.09Å; T174-K176 VanDerWaalsContact C-N 3.31Å; T174-K176 PolarHBondContact O-N 3.46Å; T174-V177 WeakPolarHBondContact O-CB 3.35Å; T174-V177 PolarHBondContact O-N 2.8Å; T174-F178 HydrophobicContact CG2-CE2 3.94Å; T174-F178 HydrophobicContact CG2-CZ 4.34Å; T174-F178 VanDerWaalsContact O-CD2 3.24Å; T174-F178 WeakPolarHBondContact O-CD2 3.36Å; T174-F178 VanDerWaalsContact O-CE2 3.32Å; T174-F178 WeakPolarHBondContact O-CE2 3.45Å; T174-V194 WeakPolarHBondContact CB-O 3.33Å; T174-V194 HydrophobicContact CG2-CB 3.94Å; T174-V194 HydrophobicContact CG2-CG1 4.45Å; T174-V194 WeakPolarHBondContact CG2-O 3.36Å; T174-V194 PolarHBondContact OG1-O 3.43Å; T174-L196 PolarHBondContact OG1-N 3.12Å
175	L	80.1	Confident	80.1	Confident	49 Å²	49	66 Å²	66	26%	0.257	32%	0.321	S	S	.	.	H	α-helix	trans	-55.2	-46.2	175.3	-77.4	165.5	0	0	0	111.8	I139 R171 N172 V177 F178	I139-L175 HydrophobicContact CD1-CD2 3.37Å; I139-L175 HydrophobicContact CD1-CG 3.9Å; I139-L175 HydrophobicContact CG1-CD2 3.84Å; R171-L175 PolarHBondContact O-N 3.44Å; N172-L175 PolarHBondContact O-N 3.32Å; L175-V177 PolarHBondContact O-N 3.11Å; L175-F178 WeakPolarHBondContact O-CB 3.48Å; L175-F178 PolarHBondContact O-N 3.1Å
176	K	81.8	Confident	79.6	Confident	108 Å²	108	65.4 Å²	65.4	47%	0.47	32%	0.32	S	S	.	.	H	α-helix	trans	-65.4	-16.9	177.8	-71.3	173.9	-177	-178.9	0	115	N172 N173 T174 F178 F180 F201	N172-K176 VanDerWaalsContact O-CG 3.32Å; N172-K176 WeakPolarHBondContact O-CG 3.37Å; N172-K176 PolarHBondContact O-N 3.24Å; N172-K176 VanDerWaalsContact O-N 3.12Å; N173-K176 PolarHBondContact O-N 3.18Å; T174-K176 VanDerWaalsContact C-N 3.31Å; T174-K176 PolarHBondContact O-N 3.46Å; K176-F178 VanDerWaalsContact C-N 3.32Å; K176-F180 VanDerWaalsContact O-CD1 3.29Å; K176-F180 WeakPolarHBondContact O-CD1 3.33Å; K176-F180 WeakPolarHBondContact O-CE1 3.36Å; K176-F201 HydrophobicContact CB-CE2 3.53Å; K176-F201 HydrophobicContact CB-CZ 3.81Å; K176-F201 HydrophobicContact CD-CE2 4.39Å; K176-F201 HydrophobicContact CD-CZ 3.99Å
177	V	83.1	Confident	79.2	Confident	12 Å²	12	59 Å²	59	7%	0.073	31%	0.308	C	S	.	.	H	α-helix	trans	-76.7	-24.5	174.8	170.8	0	0	0	0	110.9	N173 T174 L175 D179 F180 F184 T186 L196 F201 L204	N173-V177 WeakPolarHBondContact O-CG2 3.45Å; N173-V177 PolarHBondContact O-N 3.04Å; T174-V177 WeakPolarHBondContact O-CB 3.35Å; T174-V177 PolarHBondContact O-N 2.8Å; L175-V177 PolarHBondContact O-N 3.11Å; V177-D179 PolarHBondContact O-N 2.98Å; V177-F180 HydrophobicContact CB-CE2 4.5Å; V177-F180 HydrophobicContact CG1-CD2 4.14Å; V177-F180 HydrophobicContact CG1-CE2 4.27Å; V177-F180 HydrophobicContact CG2-CE1 4.38Å; V177-F180 HydrophobicContact CG2-CE2 4.04Å; V177-F180 HydrophobicContact CG2-CZ 3.91Å; V177-F180 VanDerWaalsContact O-CB 3.27Å; V177-F180 WeakPolarHBondContact O-CB 3.33Å; V177-F180 WeakPolarHBondContact O-CG 3.36Å; V177-F180 PolarHBondContact O-N 3.26Å; V177-F184 HydrophobicContact CG1-CD1 4.38Å; V177-F184 HydrophobicContact CG1-CE1 3.98Å; V177-T186 HydrophobicContact CG1-CG2 3.7Å; V177-L196 HydrophobicContact CB-CD1 4.33Å; V177-L196 HydrophobicContact CG2-CD1 3.48Å; V177-L196 VanDerWaalsContact CG2-CD1 3.48Å; V177-F201 HydrophobicContact CG2-CD2 3.74Å; V177-F201 HydrophobicContact CG2-CE2 3.98Å; V177-L204 HydrophobicContact CG2-CD1 4.47Å
178	F	80.2	Confident	78.6	Confident	56 Å²	56	62 Å²	62	25%	0.246	32%	0.321	C	S	.	.	H	α-helix	trans	-73.4	-19	173.2	-58.7	-67.5	0	0	0	112.6	I139 T174 L175 K176 F180 T186 A189 V190	I139-F178 HydrophobicContact CD1-CD2 4.03Å; I139-F178 HydrophobicContact CD1-CE2 3.43Å; I139-F178 VanDerWaalsContact CD1-CE2 3.43Å; I139-F178 HydrophobicContact CD1-CZ 4.32Å; I139-F178 HydrophobicContact CG1-CE2 4.42Å; T174-F178 HydrophobicContact CG2-CE2 3.94Å; T174-F178 HydrophobicContact CG2-CZ 4.34Å; T174-F178 VanDerWaalsContact O-CD2 3.24Å; T174-F178 WeakPolarHBondContact O-CD2 3.36Å; T174-F178 VanDerWaalsContact O-CE2 3.32Å; T174-F178 WeakPolarHBondContact O-CE2 3.45Å; L175-F178 WeakPolarHBondContact O-CB 3.48Å; L175-F178 PolarHBondContact O-N 3.1Å; K176-F178 VanDerWaalsContact C-N 3.32Å; F178-F180 VanDerWaalsContact C-N 3.25Å; F178-F180 PolarHBondContact O-N 3.31Å; F178-T186 HydrophobicContact CD1-CG2 4.28Å; F178-A189 HydrophobicContact CE1-CB 4.02Å; F178-A189 HydrophobicContact CZ-CB 3.89Å; F178-V190 HydrophobicContact CD1-CG2 3.66Å; F178-V190 HydrophobicContact CE1-CB 4.26Å; F178-V190 HydrophobicContact CE1-CG2 3.25Å; F178-V190 HydrophobicContact CG-CG2 4.47Å; F178-V190 HydrophobicContact CZ-CB 4.35Å; F178-V190 HydrophobicContact CZ-CG2 3.76Å
179	D	79	Confident	78	Confident	133 Å²	133	62.3 Å²	62.3	71%	0.711	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	7.7	170.5	-50.4	-34.9	0	0	0	112.8	V177	V177-D179 PolarHBondContact O-N 2.98Å
180	F	82.2	Confident	77.2	Confident	27 Å²	27	63.8 Å²	63.8	12%	0.118	33%	0.334	C	S	.	.	S	Bend	trans	-72.6	158.6	173.7	-76.3	9.2	0	0	0	110.6	K176 V177 F178 F184 F201 L204 K205	K176-F180 VanDerWaalsContact O-CD1 3.29Å; K176-F180 WeakPolarHBondContact O-CD1 3.33Å; K176-F180 WeakPolarHBondContact O-CE1 3.36Å; V177-F180 HydrophobicContact CB-CE2 4.5Å; V177-F180 HydrophobicContact CG1-CD2 4.14Å; V177-F180 HydrophobicContact CG1-CE2 4.27Å; V177-F180 HydrophobicContact CG2-CE1 4.38Å; V177-F180 HydrophobicContact CG2-CE2 4.04Å; V177-F180 HydrophobicContact CG2-CZ 3.91Å; V177-F180 VanDerWaalsContact O-CB 3.27Å; V177-F180 WeakPolarHBondContact O-CB 3.33Å; V177-F180 WeakPolarHBondContact O-CG 3.36Å; V177-F180 PolarHBondContact O-N 3.26Å; F178-F180 VanDerWaalsContact C-N 3.25Å; F178-F180 PolarHBondContact O-N 3.31Å; F180-F184 HydrophobicContact CB-CB 3.98Å; F180-F184 HydrophobicContact CB-CD1 4.25Å; F180-F184 HydrophobicContact CB-CG 4.2Å; F180-F184 AromaticContact CD2-CD1 3.7Å; F180-F184 HydrophobicContact CD2-CD1 3.7Å; F180-F184 HydrophobicContact CD2-CD2 4.15Å; F180-F184 AromaticContact CD2-CE1 3.86Å; F180-F184 HydrophobicContact CD2-CE1 3.86Å; F180-F184 HydrophobicContact CD2-CE2 4.28Å; F180-F184 AromaticContact CD2-CG 3.85Å; F180-F184 HydrophobicContact CD2-CG 3.85Å; F180-F184 HydrophobicContact CD2-CZ 4.15Å; F180-F184 HydrophobicContact CE2-CE1 4.34Å; F180-F184 HydrophobicContact CE2-CZ 4.34Å; F180-F184 HydrophobicContact CG-CD1 4.47Å; F180-F201 AromaticContact CE1-CE2 3.87Å; F180-F201 HydrophobicContact CE1-CE2 3.87Å; F180-F201 HydrophobicContact CE1-CZ 4.23Å; F180-F201 HydrophobicContact CZ-CD2 4.37Å; F180-F201 AromaticContact CZ-CE2 3.88Å; F180-F201 HydrophobicContact CZ-CE2 3.88Å; F180-F201 HydrophobicContact CZ-CZ 4.43Å; F180-L204 HydrophobicContact CE2-CB 3.91Å; F180-K205 HydrophobicContact CE1-CB 4.34Å; F180-K205 HydrophobicContact CE1-CG 4.43Å; F180-K205 HydrophobicContact CE2-CB 4.45Å; F180-K205 HydrophobicContact CZ-CB 3.72Å; F180-K205 HydrophobicContact CZ-CG 4.27Å
181	P	73.5	Confident	76.3	Confident	50 Å²	50	72 Å²	72	33%	0.325	37%	0.368	S	S	.	.			trans	-51.3	145.3	177.9	-28.2	36	0	0	0	112.2	E183 F184 V212	P181-E183 WeakPolarHBondContact CB-OE2 3.48Å; P181-E183 PolarHBondContact O-N 2.77Å; P181-F184 VanDerWaalsContact O-CB 3.29Å; P181-F184 WeakPolarHBondContact O-CB 3.42Å; P181-F184 PolarHBondContact O-N 3.43Å; P181-V212 HydrophobicContact CB-CG2 4.03Å; P181-V212 HydrophobicContact CG-CG2 4.05Å
182	P	68.3	Low	75.6	Confident	108 Å²	108	74 Å²	74	70%	0.701	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-25.1	-172.3	-24.8	33.7	0	0	0	114.4	F184	P182-F184 PolarHBondContact O-N 3.04Å
183	E	70	Confident	75.2	Confident	97 Å²	97	76.6 Å²	76.6	45%	0.453	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-17.9	178.6	-50.6	81.7	-178.5	0	0	112.5	P181 R185	P181-E183 WeakPolarHBondContact CB-OE2 3.48Å; P181-E183 PolarHBondContact O-N 2.77Å; E183-R185 PolarHBondContact O-N 3.38Å; E183-R185 VanDerWaalsContact O-N 3.12Å
184	F	76	Confident	74.9	Confident	40 Å²	40	78.6 Å²	78.6	18%	0.175	41%	0.408	C	S	.	.	S	Bend	trans	-77.7	95.4	175.3	-164.6	-90.6	0	0	0	110.2	V177 F180 P181 P182 T186 L204	V177-F184 HydrophobicContact CG1-CD1 4.38Å; V177-F184 HydrophobicContact CG1-CE1 3.98Å; F180-F184 HydrophobicContact CB-CB 3.98Å; F180-F184 HydrophobicContact CB-CD1 4.25Å; F180-F184 HydrophobicContact CB-CG 4.2Å; F180-F184 AromaticContact CD2-CD1 3.7Å; F180-F184 HydrophobicContact CD2-CD1 3.7Å; F180-F184 HydrophobicContact CD2-CD2 4.15Å; F180-F184 AromaticContact CD2-CE1 3.86Å; F180-F184 HydrophobicContact CD2-CE1 3.86Å; F180-F184 HydrophobicContact CD2-CE2 4.28Å; F180-F184 AromaticContact CD2-CG 3.85Å; F180-F184 HydrophobicContact CD2-CG 3.85Å; F180-F184 HydrophobicContact CD2-CZ 4.15Å; F180-F184 HydrophobicContact CE2-CE1 4.34Å; F180-F184 HydrophobicContact CE2-CZ 4.34Å; F180-F184 HydrophobicContact CG-CD1 4.47Å; P181-F184 VanDerWaalsContact O-CB 3.29Å; P181-F184 WeakPolarHBondContact O-CB 3.42Å; P181-F184 PolarHBondContact O-N 3.43Å; P182-F184 PolarHBondContact O-N 3.04Å; F184-T186 HydrophobicContact CD1-CG2 3.81Å; F184-T186 HydrophobicContact CE1-CG2 4.28Å; F184-T186 PolarHBondContact O-N 3.04Å; F184-L204 HydrophobicContact CZ-CB 4.11Å; F184-L204 HydrophobicContact CZ-CD2 3.89Å; F184-L204 HydrophobicContact CZ-CG 4.49Å
185	R	73.1	Confident	74.9	Confident	238 Å²	238	82.5 Å²	82.5	90%	0.898	43%	0.426	S	S	*	.			trans	-63.2	96	179.5	-61.7	-173.7	-175.3	-166.1	-1.2	111.7	E183	E183-R185 PolarHBondContact O-N 3.38Å; E183-R185 VanDerWaalsContact O-N 3.12Å
186	T	72.7	Confident	75	Confident	48 Å²	48	81.3 Å²	81.3	29%	0.294	42%	0.42	S	S	.	.			trans	-79.2	-18.7	174.9	49.5	0	0	0	0	113.1	V177 F178 F184 A189	V177-T186 HydrophobicContact CG1-CG2 3.7Å; F178-T186 HydrophobicContact CD1-CG2 4.28Å; F184-T186 HydrophobicContact CD1-CG2 3.81Å; F184-T186 HydrophobicContact CE1-CG2 4.28Å; F184-T186 PolarHBondContact O-N 3.04Å; T186-A189 VanDerWaalsContact O-CB 3.26Å; T186-A189 WeakPolarHBondContact O-CB 3.07Å
187	G	73.6	Confident	75.3	Confident	54 Å²	54	79.2 Å²	79.2	56%	0.557	42%	0.419	S	S	*	.	G	3₁₀ helix	trans	61.5	-152.6	179.3	0	0	0	0	0	112.8	A189	G187-A189 PolarHBondContact O-N 3.41Å
188	D	70.8	Confident	75.5	Confident	116 Å²	116	82.9 Å²	82.9	62%	0.62	44%	0.438	S	S	*	.	G	3₁₀ helix	trans	-76.1	17.5	-179.3	-59.7	-19	0	0	0	113.5	V190 K191	D188-V190 PolarHBondContact O-N 3.4Å; D188-K191 PolarHBondContact O-N 2.91Å
189	A	69.4	Low	75.9	Confident	19 Å²	19	86.3 Å²	86.3	16%	0.157	46%	0.455	C	S	.	.	G	3₁₀ helix	trans	-57.7	-23.5	-178.3	0	0	0	0	0	112.8	F178 T186 G187 K191 M192	F178-A189 HydrophobicContact CE1-CB 4.02Å; F178-A189 HydrophobicContact CZ-CB 3.89Å; T186-A189 VanDerWaalsContact O-CB 3.26Å; T186-A189 WeakPolarHBondContact O-CB 3.07Å; G187-A189 PolarHBondContact O-N 3.41Å; A189-K191 PolarHBondContact O-N 3.15Å; A189-M192 HydrophobicContact CB-CE 4.49Å; A189-M192 PolarHBondContact O-N 2.9Å; A189-M192 VanDerWaalsContact O-O 3.11Å
190	V	65.7	Low	76.3	Confident	63 Å²	63	82.9 Å²	82.9	38%	0.382	44%	0.438	S	S	.	.	G	3₁₀ helix	trans	-59.4	-31.6	173.5	-176.6	0	0	0	0	112	F178 D188	F178-V190 HydrophobicContact CD1-CG2 3.66Å; F178-V190 HydrophobicContact CE1-CB 4.26Å; F178-V190 HydrophobicContact CE1-CG2 3.25Å; F178-V190 HydrophobicContact CG-CG2 4.47Å; F178-V190 HydrophobicContact CZ-CB 4.35Å; F178-V190 HydrophobicContact CZ-CG2 3.76Å; D188-V190 PolarHBondContact O-N 3.4Å
191	K	67.5	Low	76.6	Confident	177 Å²	177	82.6 Å²	82.6	77%	0.77	44%	0.437	S	S	*	.	G	3₁₀ helix	trans	-86.7	-4.9	-177.7	-63	178.3	-178	169	0	113.4	D188 A189	D188-K191 PolarHBondContact O-N 2.91Å; A189-K191 PolarHBondContact O-N 3.15Å
192	M	69.7	Low	77.3	Confident	106 Å²	106	84.3 Å²	84.3	52%	0.522	44%	0.443	S	S	.	.	S	Bend	trans	-113.9	137.1	-176	-65.8	-173.2	-71.1	0	0	110	A189 V194	A189-M192 HydrophobicContact CB-CE 4.49Å; A189-M192 PolarHBondContact O-N 2.9Å; A189-M192 VanDerWaalsContact O-O 3.11Å; M192-V194 HydrophobicContact CB-CG2 3.57Å; M192-V194 HydrophobicContact CE-CG2 4.42Å; M192-V194 PolarHBondContact O-N 3.42Å
193	D	72.2	Confident	78.3	Confident	94 Å²	94	87 Å²	87	50%	0.503	44%	0.44	S	S	.	.			trans	-74.6	65.7	171.6	-175.6	27	0	0	0	110.6	R171	R171-D193 IonicContact CZ-OD1 3.39Å; R171-D193 IonicContact CZ-OD2 2.72Å; R171-D193 IonicContact NE-OD1 2.74Å; R171-D193 PolarHBondContact NE-OD1 3.4Å; R171-D193 IonicContact NE-OD2 3.51Å; R171-D193 IonicContact NH2-OD1 2.82Å; R171-D193 PolarHBondContact NH2-OD1 3.15Å; R171-D193 IonicContact NH2-OD2 3.67Å; R171-D193 PolarHBondContact NH2-OD2 3.01Å
194	V	79.2	Confident	79.2	Confident	50 Å²	50	84.9 Å²	84.9	30%	0.303	43%	0.431	S	S	.	.			trans	-79.5	131.7	179.8	-174	0	0	0	0	108.9	T174 M192 L196	T174-V194 WeakPolarHBondContact CB-O 3.33Å; T174-V194 HydrophobicContact CG2-CB 3.94Å; T174-V194 HydrophobicContact CG2-CG1 4.45Å; T174-V194 WeakPolarHBondContact CG2-O 3.36Å; T174-V194 PolarHBondContact OG1-O 3.43Å; M192-V194 HydrophobicContact CB-CG2 3.57Å; M192-V194 HydrophobicContact CE-CG2 4.42Å; M192-V194 PolarHBondContact O-N 3.42Å; V194-L196 HydrophobicContact CG1-CD2 4.05Å; V194-L196 HydrophobicContact CG1-CG 4.34Å
195	Q	84	Confident	79.7	Confident	87 Å²	87	87.9 Å²	87.9	41%	0.407	44%	0.444	S	S	.	.			trans	-113.6	110.1	173.6	-63.3	176.3	26.2	0	0	109.3	R171	R171-Q195 HydrophobicContact CG-CG 3.99Å
196	L	83.5	Confident	80.4	Confident	25 Å²	25	83.1 Å²	83.1	13%	0.131	43%	0.432	C	S	.	.			trans	-89	121.4	180	-66.8	179.6	0	0	0	111.5	G170 N173 T174 V177 V194 V200 L204	G170-L196 WeakPolarHBondContact CA-O 3.36Å; G170-L196 PolarHBondContact O-N 3.33Å; G170-L196 VanDerWaalsContact O-N 3.07Å; N173-L196 HydrophobicContact CB-CB 3.96Å; N173-L196 WeakPolarHBondContact CB-O 3.43Å; N173-L196 PolarHBondContact ND2-O 3.16Å; T174-L196 PolarHBondContact OG1-N 3.12Å; V177-L196 HydrophobicContact CB-CD1 4.33Å; V177-L196 HydrophobicContact CG2-CD1 3.48Å; V177-L196 VanDerWaalsContact CG2-CD1 3.48Å; V194-L196 HydrophobicContact CG1-CD2 4.05Å; V194-L196 HydrophobicContact CG1-CG 4.34Å; L196-V200 HydrophobicContact CD2-CG1 3.88Å; L196-L204 HydrophobicContact CD1-CD1 4.04Å; L196-L204 HydrophobicContact CD2-CD1 4.43Å
197	S	87.8	Confident	81.2	Confident	64 Å²	64	86.3 Å²	86.3	45%	0.448	44%	0.443	S	S	.	.			trans	-60.5	150.1	168.5	74.6	0	0	0	0	110.8	Q199 V200 F201	S197-Q199 PolarHBondContact O-N 3.45Å; S197-Q199 VanDerWaalsContact O-N 3.12Å; S197-V200 PolarHBondContact O-N 2.86Å; S197-V200 VanDerWaalsContact OG-CG2 3.3Å; S197-V200 WeakPolarHBondContact OG-CG2 3.46Å; S197-V200 PolarHBondContact OG-N 2.95Å; S197-F201 PolarHBondContact O-N 2.78Å
198	N	86.6	Confident	81.8	Confident	88 Å²	88	84 Å²	84	47%	0.471	42%	0.419	S	S	.	.	H	α-helix	trans	-52.6	-36.6	177	-74.5	-22.9	0	0	0	112.6	C169 N173 N202	C169-N198 PolarHBondContact SG-OD1 3.07Å; N173-N198 PolarHBondContact ND2-OD1 3.12Å; N198-N202 WeakPolarHBondContact O-CB 3.32Å; N198-N202 VanDerWaalsContact O-CG 3.23Å; N198-N202 PolarHBondContact O-N 2.94Å; N198-N202 PolarHBondContact O-ND2 3.16Å
199	Q	88.2	Confident	82.3	Confident	129 Å²	129	83.4 Å²	83.4	60%	0.603	42%	0.415	S	S	*	.	H	α-helix	trans	-66	-41.5	178.6	-171	179.8	10.5	0	0	111.9	S197 R203	S197-Q199 PolarHBondContact O-N 3.45Å; S197-Q199 VanDerWaalsContact O-N 3.12Å; Q199-R203 WeakPolarHBondContact O-CG 3.36Å; Q199-R203 PolarHBondContact O-N 3.4Å
200	V	88.8	Confident	83.1	Confident	61 Å²	61	84.5 Å²	84.5	37%	0.37	42%	0.423	S	S	.	.	H	α-helix	trans	-70.1	-45.7	177.8	176.3	0	0	0	0	110.2	L196 S197 N202 R203 L204	L196-V200 HydrophobicContact CD2-CG1 3.88Å; S197-V200 PolarHBondContact O-N 2.86Å; S197-V200 VanDerWaalsContact OG-CG2 3.3Å; S197-V200 WeakPolarHBondContact OG-CG2 3.46Å; S197-V200 PolarHBondContact OG-N 2.95Å; V200-N202 PolarHBondContact O-N 2.72Å; V200-R203 PolarHBondContact O-N 3.2Å; V200-R203 VanDerWaalsContact O-N 3.17Å; V200-L204 HydrophobicContact CG1-CD1 3.87Å; V200-L204 HydrophobicContact CG1-CG 4.26Å; V200-L204 WeakPolarHBondContact O-CG 3.39Å; V200-L204 PolarHBondContact O-N 3.06Å
201	F	88	Confident	83.9	Confident	20 Å²	20	83.3 Å²	83.3	9%	0.088	42%	0.42	C	S	.	.	H	α-helix	trans	-54.8	-48.9	176.2	175.1	-101.9	0	0	0	112.2	N173 K176 V177 F180 S197 R203 L204 K205	N173-F201 HydrophobicContact CB-CB 3.99Å; N173-F201 HydrophobicContact CB-CD2 4.04Å; N173-F201 HydrophobicContact CB-CG 4.04Å; N173-F201 WeakPolarHBondContact O-CD2 3.47Å; K176-F201 HydrophobicContact CB-CE2 3.53Å; K176-F201 HydrophobicContact CB-CZ 3.81Å; K176-F201 HydrophobicContact CD-CE2 4.39Å; K176-F201 HydrophobicContact CD-CZ 3.99Å; V177-F201 HydrophobicContact CG2-CD2 3.74Å; V177-F201 HydrophobicContact CG2-CE2 3.98Å; F180-F201 AromaticContact CE1-CE2 3.87Å; F180-F201 HydrophobicContact CE1-CE2 3.87Å; F180-F201 HydrophobicContact CE1-CZ 4.23Å; F180-F201 HydrophobicContact CZ-CD2 4.37Å; F180-F201 AromaticContact CZ-CE2 3.88Å; F180-F201 HydrophobicContact CZ-CE2 3.88Å; F180-F201 HydrophobicContact CZ-CZ 4.43Å; S197-F201 PolarHBondContact O-N 2.78Å; F201-R203 VanDerWaalsContact C-N 3.33Å; F201-R203 PolarHBondContact O-N 3.47Å; F201-L204 PolarHBondContact O-N 3.09Å; F201-K205 HydrophobicContact CE1-CD 4.37Å; F201-K205 HydrophobicContact CZ-CD 4.49Å; F201-K205 WeakPolarHBondContact O-CB 3.22Å; F201-K205 PolarHBondContact O-N 3.21Å
202	N	88.2	Confident	84.4	Confident	86 Å²	86	76.6 Å²	76.6	46%	0.46	39%	0.394	S	S	.	.	H	α-helix	trans	-63.6	-37	179.6	-72.9	-23.3	0	0	0	112.6	N198 V200 Q206	N198-N202 WeakPolarHBondContact O-CB 3.32Å; N198-N202 VanDerWaalsContact O-CG 3.23Å; N198-N202 PolarHBondContact O-N 2.94Å; N198-N202 PolarHBondContact O-ND2 3.16Å; V200-N202 PolarHBondContact O-N 2.72Å; N202-Q206 WeakPolarHBondContact O-CG 3.5Å; N202-Q206 PolarHBondContact O-N 2.95Å
203	R	89.8	Confident	84.7	Confident	165 Å²	165	78.5 Å²	78.5	62%	0.623	40%	0.399	S	S	*	.	H	α-helix	trans	-66.3	-43.4	174.6	-77.4	-178	177.6	174.8	0.7	112	Q199 V200 F201 Q206 H207	Q199-R203 WeakPolarHBondContact O-CG 3.36Å; Q199-R203 PolarHBondContact O-N 3.4Å; V200-R203 PolarHBondContact O-N 3.2Å; V200-R203 VanDerWaalsContact O-N 3.17Å; F201-R203 VanDerWaalsContact C-N 3.33Å; F201-R203 PolarHBondContact O-N 3.47Å; R203-Q206 PolarHBondContact O-N 3.14Å; R203-H207 WeakPolarHBondContact O-CB 3.48Å; R203-H207 PolarHBondContact O-N 2.73Å
204	L	88.8	Confident	85	Confident	52 Å²	52	82.2 Å²	82.2	27%	0.272	41%	0.406	S	S	.	.	H	α-helix	trans	-64.4	-41.9	177.3	-65	169.6	0	0	0	110.8	V177 F180 F184 L196 V200 F201 Q206 H207 S208	V177-L204 HydrophobicContact CG2-CD1 4.47Å; F180-L204 HydrophobicContact CE2-CB 3.91Å; F184-L204 HydrophobicContact CZ-CB 4.11Å; F184-L204 HydrophobicContact CZ-CD2 3.89Å; F184-L204 HydrophobicContact CZ-CG 4.49Å; L196-L204 HydrophobicContact CD1-CD1 4.04Å; L196-L204 HydrophobicContact CD2-CD1 4.43Å; V200-L204 HydrophobicContact CG1-CD1 3.87Å; V200-L204 HydrophobicContact CG1-CG 4.26Å; V200-L204 WeakPolarHBondContact O-CG 3.39Å; V200-L204 PolarHBondContact O-N 3.06Å; F201-L204 PolarHBondContact O-N 3.09Å; L204-Q206 PolarHBondContact O-N 3.29Å; L204-H207 PolarHBondContact O-N 3.35Å; L204-S208 PolarHBondContact O-N 3.25Å
205	K	86.7	Confident	84.6	Confident	103 Å²	103	84.6 Å²	84.6	45%	0.448	41%	0.414	S	S	.	.	H	α-helix	trans	-60.6	-44	175	-171.9	177.2	-179.4	177.4	0	112.4	F180 F201 H207 S208 I209	F180-K205 HydrophobicContact CE1-CB 4.34Å; F180-K205 HydrophobicContact CE1-CG 4.43Å; F180-K205 HydrophobicContact CE2-CB 4.45Å; F180-K205 HydrophobicContact CZ-CB 3.72Å; F180-K205 HydrophobicContact CZ-CG 4.27Å; F201-K205 HydrophobicContact CE1-CD 4.37Å; F201-K205 HydrophobicContact CZ-CD 4.49Å; F201-K205 WeakPolarHBondContact O-CB 3.22Å; F201-K205 PolarHBondContact O-N 3.21Å; K205-H207 VanDerWaalsContact C-N 3.32Å; K205-H207 PolarHBondContact O-N 3.49Å; K205-S208 PolarHBondContact O-N 3.15Å; K205-S208 PolarHBondContact O-OG 3.25Å; K205-I209 HydrophobicContact CG-CD1 4.13Å; K205-I209 WeakPolarHBondContact O-CD1 3.43Å; K205-I209 VanDerWaalsContact O-CG1 3.28Å; K205-I209 WeakPolarHBondContact O-CG1 3.5Å; K205-I209 PolarHBondContact O-N 3.4Å
206	Q	88.1	Confident	83.9	Confident	139 Å²	139	86.1 Å²	86.1	65%	0.65	42%	0.421	S	S	*	.	H	α-helix	trans	-65.1	-38.3	175.5	-75	176.7	-8.8	0	0	111.9	N202 R203 L204 A210	N202-Q206 WeakPolarHBondContact O-CG 3.5Å; N202-Q206 PolarHBondContact O-N 2.95Å; R203-Q206 PolarHBondContact O-N 3.14Å; L204-Q206 PolarHBondContact O-N 3.29Å; Q206-A210 VanDerWaalsContact O-CB 3.32Å; Q206-A210 WeakPolarHBondContact O-CB 3.47Å; Q206-A210 PolarHBondContact O-N 2.81Å
207	H	88.1	Confident	83.3	Confident	114 Å²	114	89.4 Å²	89.4	53%	0.528	44%	0.438	S	S	.	.	H	α-helix	trans	-66.6	-43.2	177.1	-175.5	-84.9	0	0	0	112.2	R203 L204 K205 A210 A211	R203-H207 WeakPolarHBondContact O-CB 3.48Å; R203-H207 PolarHBondContact O-N 2.73Å; L204-H207 PolarHBondContact O-N 3.35Å; K205-H207 VanDerWaalsContact C-N 3.32Å; K205-H207 PolarHBondContact O-N 3.49Å; H207-A210 PolarHBondContact O-N 3.39Å; H207-A211 VanDerWaalsContact O-CB 3.26Å; H207-A211 WeakPolarHBondContact O-CB 3.35Å; H207-A211 PolarHBondContact O-N 3.13Å
208	S	85.8	Confident	82.1	Confident	6 Å²	6	96 Å²	96	4%	0.042	45%	0.453	C	S	.	.	H	α-helix	trans	-60.7	-49.1	177.9	66.1	0	0	0	0	111	L204 K205 A210 A211 V212	L204-S208 PolarHBondContact O-N 3.25Å; K205-S208 PolarHBondContact O-N 3.15Å; K205-S208 PolarHBondContact O-OG 3.25Å; S208-A210 VanDerWaalsContact C-N 3.34Å; S208-A210 PolarHBondContact O-N 3.48Å; S208-A211 PolarHBondContact O-N 3.36Å; S208-V212 WeakPolarHBondContact O-CG2 3.39Å; S208-V212 PolarHBondContact O-N 2.93Å
209	I	83.2	Confident	80.8	Confident	104 Å²	104	96.9 Å²	96.9	53%	0.533	45%	0.454	S	S	.	.	H	α-helix	trans	-58.2	-45	176.5	-64.6	166.6	0	0	0	111.3	K205 K213	K205-I209 HydrophobicContact CG-CD1 4.13Å; K205-I209 WeakPolarHBondContact O-CD1 3.43Å; K205-I209 VanDerWaalsContact O-CG1 3.28Å; K205-I209 WeakPolarHBondContact O-CG1 3.5Å; K205-I209 PolarHBondContact O-N 3.4Å; I209-K213 WeakPolarHBondContact O-CB 3.08Å; I209-K213 PolarHBondContact O-N 3.07Å; I209-K213 VanDerWaalsContact O-N 3.11Å
210	A	84.6	Confident	79.3	Confident	41 Å²	41	95.4 Å²	95.4	34%	0.339	45%	0.447	S	S	.	.	H	α-helix	trans	-68.1	-34.8	179.3	0	0	0	0	0	112.9	Q206 H207 S208 R214	Q206-A210 VanDerWaalsContact O-CB 3.32Å; Q206-A210 WeakPolarHBondContact O-CB 3.47Å; Q206-A210 PolarHBondContact O-N 2.81Å; H207-A210 PolarHBondContact O-N 3.39Å; S208-A210 VanDerWaalsContact C-N 3.34Å; S208-A210 PolarHBondContact O-N 3.48Å; A210-R214 WeakPolarHBondContact O-CG 3.3Å; A210-R214 PolarHBondContact O-N 3.33Å
211	A	82.6	Confident	77.9	Confident	38 Å²	38	100.1 Å²	100.1	31%	0.314	46%	0.463	S	S	.	.	H	α-helix	trans	-67.6	-49	177.8	0	0	0	0	0	111.3	H207 S208 K213 R214 Q215	H207-A211 VanDerWaalsContact O-CB 3.26Å; H207-A211 WeakPolarHBondContact O-CB 3.35Å; H207-A211 PolarHBondContact O-N 3.13Å; S208-A211 PolarHBondContact O-N 3.36Å; A211-K213 VanDerWaalsContact C-N 3.32Å; A211-K213 PolarHBondContact O-N 3.28Å; A211-R214 PolarHBondContact O-N 3.31Å; A211-R214 VanDerWaalsContact O-N 3.11Å; A211-Q215 PolarHBondContact O-N 3.5Å
212	V	77.7	Confident	76.3	Confident	36 Å²	36	106.3 Å²	106.3	22%	0.218	49%	0.49	C	S	.	.	H	α-helix	trans	-55.1	-48.7	174.7	173	0	0	0	0	110.2	P181 S208 R214 Q215 H216	P181-V212 HydrophobicContact CB-CG2 4.03Å; P181-V212 HydrophobicContact CG-CG2 4.05Å; S208-V212 WeakPolarHBondContact O-CG2 3.39Å; S208-V212 PolarHBondContact O-N 2.93Å; V212-R214 VanDerWaalsContact C-N 3.34Å; V212-R214 PolarHBondContact O-N 2.86Å; V212-Q215 PolarHBondContact O-N 3.1Å; V212-Q215 VanDerWaalsContact O-N 3.12Å; V212-H216 PolarHBondContact O-CD2 3.3Å; V212-H216 VanDerWaalsContact O-CD2 3.24Å; V212-H216 PolarHBondContact O-N 3.1Å
213	K	77.8	Confident	74.6	Confident	146 Å²	146	107 Å²	107	64%	0.635	49%	0.49	S	S	*	.	H	α-helix	trans	-59.2	-40.9	177.3	-169.8	173.9	-175.3	172.7	0	113	I209 A211 L217	I209-K213 WeakPolarHBondContact O-CB 3.08Å; I209-K213 PolarHBondContact O-N 3.07Å; I209-K213 VanDerWaalsContact O-N 3.11Å; A211-K213 VanDerWaalsContact C-N 3.32Å; A211-K213 PolarHBondContact O-N 3.28Å; K213-L217 VanDerWaalsContact O-CG 3.27Å; K213-L217 WeakPolarHBondContact O-CG 3.39Å; K213-L217 PolarHBondContact O-N 3.03Å
214	R	78.3	Confident	72.8	Confident	173 Å²	173	105.6 Å²	105.6	65%	0.653	49%	0.489	S	S	*	.	H	α-helix	trans	-68	-35.6	176.8	-76.9	175.9	-174.3	172.2	3.1	112.5	A210 A211 V212 R218	A210-R214 WeakPolarHBondContact O-CG 3.3Å; A210-R214 PolarHBondContact O-N 3.33Å; A211-R214 PolarHBondContact O-N 3.31Å; A211-R214 VanDerWaalsContact O-N 3.11Å; V212-R214 VanDerWaalsContact C-N 3.34Å; V212-R214 PolarHBondContact O-N 2.86Å; R214-R218 WeakPolarHBondContact O-CG 3.31Å; R214-R218 PolarHBondContact O-N 3.31Å
215	Q	70.8	Confident	70.8	Confident	100 Å²	100	107.9 Å²	107.9	47%	0.467	51%	0.509	S	S	.	.	H	α-helix	trans	-68.7	-44.3	178	-177	171.2	-19.6	0	0	111	A211 V212 L217 R218 H219	A211-Q215 PolarHBondContact O-N 3.5Å; V212-Q215 PolarHBondContact O-N 3.1Å; V212-Q215 VanDerWaalsContact O-N 3.12Å; Q215-L217 VanDerWaalsContact C-N 3.34Å; Q215-L217 PolarHBondContact O-N 2.94Å; Q215-R218 WeakPolarHBondContact O-CB 3.32Å; Q215-R218 PolarHBondContact O-N 3.38Å; Q215-H219 PolarHBondContact O-N 2.92Å
216	H	69.3	Low	68.8	Low	118 Å²	118	108.2 Å²	108.2	55%	0.546	52%	0.52	S	S	.	.	H	α-helix	trans	-57.1	-47.3	174.2	-75.3	-145.5	0	0	0	111	V212 R218 H219 E220	V212-H216 PolarHBondContact O-CD2 3.3Å; V212-H216 VanDerWaalsContact O-CD2 3.24Å; V212-H216 PolarHBondContact O-N 3.1Å; H216-R218 VanDerWaalsContact C-N 3.27Å; H216-R218 PolarHBondContact O-N 2.89Å; H216-H219 PolarHBondContact O-N 3.12Å; H216-H219 VanDerWaalsContact O-N 3.16Å; H216-E220 WeakPolarHBondContact O-CG 3.46Å; H216-E220 PolarHBondContact O-N 3.14Å
217	L	70.4	Confident	66.9	Low	95 Å²	95	103.6 Å²	103.6	50%	0.497	51%	0.505	S	S	.	.	H	α-helix	trans	-62.2	-31.3	176.1	-68.5	170.5	0	0	0	113.5	K213 Q215 K221	K213-L217 VanDerWaalsContact O-CG 3.27Å; K213-L217 WeakPolarHBondContact O-CG 3.39Å; K213-L217 PolarHBondContact O-N 3.03Å; Q215-L217 VanDerWaalsContact C-N 3.34Å; Q215-L217 PolarHBondContact O-N 2.94Å; L217-K221 WeakPolarHBondContact O-CB 3.17Å; L217-K221 PolarHBondContact O-N 3Å
218	R	62.7	Low	65.1	Low	201 Å²	201	107 Å²	107	76%	0.758	52%	0.521	S	S	*	.	H	α-helix	trans	-74	-39.6	174.8	-81.1	-178.4	173	-171.5	-2.1	111.8	R214 Q215 H216 K221 K222	R214-R218 WeakPolarHBondContact O-CG 3.31Å; R214-R218 PolarHBondContact O-N 3.31Å; Q215-R218 WeakPolarHBondContact O-CB 3.32Å; Q215-R218 PolarHBondContact O-N 3.38Å; H216-R218 VanDerWaalsContact C-N 3.27Å; H216-R218 PolarHBondContact O-N 2.89Å; R218-K221 PolarHBondContact O-N 2.9Å; R218-K222 PolarHBondContact O-N 3.14Å
219	H	59.4	Low	63.7	Low	108 Å²	108	113.2 Å²	113.2	50%	0.5	55%	0.55	S	S	.	*	H	α-helix	trans	-65.4	-48.6	177.5	-153.1	-87.3	0	0	0	110.6	Q215 H216 K221 K222 E223	Q215-H219 PolarHBondContact O-N 2.92Å; H216-H219 PolarHBondContact O-N 3.12Å; H216-H219 VanDerWaalsContact O-N 3.16Å; H219-K221 PolarHBondContact O-N 3.31Å; H219-K221 VanDerWaalsContact O-N 3.16Å; H219-K222 PolarHBondContact O-N 2.74Å; H219-E223 IonicContact CE1-OE1 3.61Å; H219-E223 PolarHBondContact CE1-OE1 3.27Å; H219-E223 VanDerWaalsContact ND1-CD 3.31Å; H219-E223 IonicContact ND1-OE1 3.95Å; H219-E223 PolarHBondContact ND1-OE1 2.91Å; H219-E223 IonicContact ND1-OE2 2.72Å; H219-E223 PolarHBondContact O-N 3.18Å
220	E	57	Low	62.3	Low	97 Å²	97	111.3 Å²	111.3	45%	0.453	55%	0.55	S	S	.	.	H	α-helix	trans	-54.6	-37.5	173.7	-76.5	-174.1	-179.1	0	0	112.5	H216 K224	H216-E220 WeakPolarHBondContact O-CG 3.46Å; H216-E220 PolarHBondContact O-N 3.14Å; E220-K224 WeakPolarHBondContact O-CD 3.22Å; E220-K224 WeakPolarHBondContact O-CG 3.23Å; E220-K224 PolarHBondContact O-N 2.85Å
221	K	58.3	Low	61.3	Low	160 Å²	160	109.9 Å²	109.9	70%	0.696	54%	0.537	S	S	*	.	H	α-helix	trans	-71.6	-35.1	178	-171.8	175.9	-180	-178.7	0	112	L217 R218 H219	L217-K221 WeakPolarHBondContact O-CB 3.17Å; L217-K221 PolarHBondContact O-N 3Å; R218-K221 PolarHBondContact O-N 2.9Å; H219-K221 PolarHBondContact O-N 3.31Å; H219-K221 VanDerWaalsContact O-N 3.16Å
222	K	55.1	Low	60.8	Low	150 Å²	150	109.4 Å²	109.4	65%	0.652	53%	0.529	S	S	*	.	H	α-helix	trans	-74.3	-43.5	-179.8	-167.5	-177.7	175.9	-166.8	0	111.2	R218 H219 K224 S225 T226	R218-K222 PolarHBondContact O-N 3.14Å; H219-K222 PolarHBondContact O-N 2.74Å; K222-K224 VanDerWaalsContact C-N 3.32Å; K222-K224 PolarHBondContact O-N 2.93Å; K222-S225 PolarHBondContact O-N 2.96Å; K222-T226 PolarHBondContact O-OG1 3.37Å
223	E	52.3	Low	60.6	Low	100 Å²	100	111.8 Å²	111.8	47%	0.467	54%	0.544	S	S	.	.	H	α-helix	trans	-58.2	-44.3	175.6	-73	173	170.5	0	0	111.4	H219 S225 T226	H219-E223 IonicContact CE1-OE1 3.61Å; H219-E223 PolarHBondContact CE1-OE1 3.27Å; H219-E223 VanDerWaalsContact ND1-CD 3.31Å; H219-E223 IonicContact ND1-OE1 3.95Å; H219-E223 PolarHBondContact ND1-OE1 2.91Å; H219-E223 IonicContact ND1-OE2 2.72Å; H219-E223 PolarHBondContact O-N 3.18Å; E223-S225 PolarHBondContact O-N 3.08Å; E223-T226 PolarHBondContact O-N 2.95Å
224	K	51.7	Low	60.6	Low	136 Å²	136	106.6 Å²	106.6	59%	0.591	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-17.5	175.5	-73.1	170.6	-171.9	165.7	0	114.8	E220 K222	E220-K224 WeakPolarHBondContact O-CD 3.22Å; E220-K224 WeakPolarHBondContact O-CG 3.23Å; E220-K224 PolarHBondContact O-N 2.85Å; K222-K224 VanDerWaalsContact C-N 3.32Å; K222-K224 PolarHBondContact O-N 2.93Å
225	S	48	Very low	60.9	Low	101 Å²	101	98.5 Å²	98.5	71%	0.706	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.4	-9.2	-176.5	-93	0	0	0	0	114.5	K222 E223	K222-S225 PolarHBondContact O-N 2.96Å; E223-S225 PolarHBondContact O-N 3.08Å
226	T	44.6	Very low	61.5	Low	109 Å²	109	94.3 Å²	94.3	67%	0.669	48%	0.477	S	S	*	.			trans	-119.5	18.5	-165.5	-17.6	0	0	0	0	115.1	K222 E223	K222-T226 PolarHBondContact O-OG1 3.37Å; E223-T226 PolarHBondContact O-N 2.95Å
227	A	48.1	Very low	62.3	Low	42 Å²	42	92.3 Å²	92.3	35%	0.347	47%	0.47	S	S	.	.			trans	-84.9	117	171.7	0	0	0	0	0	110.3	Q229 A230 V231	A227-Q229 PolarHBondContact O-N 2.87Å; A227-A230 PolarHBondContact O-N 2.92Å; A227-V231 WeakPolarHBondContact CB-O 3.4Å
228	E	50.4	Low	63.2	Low	185 Å²	185	89.1 Å²	89.1	86%	0.864	45%	0.453	S	S	*	.	G	3₁₀ helix	trans	-51.1	122.2	173.5	-72.4	-177.4	146.1	0	0	109.8
229	Q	54.9	Low	64.5	Low	138 Å²	138	79.5 Å²	79.5	65%	0.645	42%	0.417	S	S	*	.	G	3₁₀ helix	trans	65.2	33.8	176.8	-53.2	-168.7	-0.8	0	0	118.3	A227 V231 V254	A227-Q229 PolarHBondContact O-N 2.87Å; Q229-V231 PolarHBondContact O-N 3.38Å; Q229-V254 VanDerWaalsContact OE1-CG2 3.24Å
230	A	54	Low	65.9	Low	63 Å²	63	77 Å²	77	52%	0.521	40%	0.403	S	S	.	.	G	3₁₀ helix	trans	69.1	25	156.5	0	0	0	0	0	116.9	A227	A227-A230 PolarHBondContact O-N 2.92Å
231	V	64.8	Low	67.5	Low	11 Å²	11	76.3 Å²	76.3	7%	0.067	40%	0.398	C	S	.	.			trans	-93.7	112.1	164.9	-176.5	0	0	0	0	107.2	A227 Q229 T235 S236 L239 F264	A227-V231 WeakPolarHBondContact CB-O 3.4Å; Q229-V231 PolarHBondContact O-N 3.38Å; V231-T235 HydrophobicContact CG1-CG2 3.56Å; V231-S236 WeakPolarHBondContact CG1-OG 3.33Å; V231-L239 HydrophobicContact CG1-CD1 4.3Å; V231-F264 HydrophobicContact CG2-CE2 4.01Å; V231-F264 HydrophobicContact CG2-CZ 3.59Å
232	D	70.8	Confident	69	Low	28 Å²	28	68.7 Å²	68.7	15%	0.15	37%	0.365	C	S	.	.			trans	-71.2	157.4	174.6	67.7	4.5	0	0	0	110.4	S234 T235 S236 T291 R313	D232-S234 PolarHBondContact O-N 3.15Å; D232-T235 WeakPolarHBondContact O-CA 3.43Å; D232-T235 WeakPolarHBondContact O-CB 3.24Å; D232-T235 PolarHBondContact O-N 3.3Å; D232-T235 WeakPolarHBondContact OD1-CA 3.35Å; D232-T235 WeakPolarHBondContact OD1-CB 3.39Å; D232-T235 PolarHBondContact OD1-N 2.94Å; D232-T235 PolarHBondContact OD1-OG1 2.75Å; D232-S236 PolarHBondContact O-N 3.31Å; D232-S236 PolarHBondContact O-OG 3.12Å; D232-T291 WeakPolarHBondContact OD2-CB 3.48Å; D232-T291 PolarHBondContact OD2-OG1 2.93Å; D232-R313 IonicContact OD2-NH1 2.72Å
233	T	74.9	Confident	70.7	Confident	87 Å²	87	62.7 Å²	62.7	53%	0.534	34%	0.34	S	S	.	.	H	α-helix	trans	-50.6	-35.2	179.4	-44.2	0	0	0	0	112.3	S236 L237	T233-S236 PolarHBondContact O-N 2.85Å; T233-L237 WeakPolarHBondContact O-CG 3.39Å; T233-L237 PolarHBondContact O-N 2.81Å
234	S	76.6	Confident	72.5	Confident	37 Å²	37	62.2 Å²	62.2	26%	0.259	34%	0.341	S	S	.	.	H	α-helix	trans	-65.5	-39.9	176	-179	0	0	0	0	113	D232 L237 E238 R313	D232-S234 PolarHBondContact O-N 3.15Å; S234-L237 PolarHBondContact O-N 3.42Å; S234-E238 PolarHBondContact O-N 3.14Å; S234-R313 PolarHBondContact OG-NH2 2.79Å
235	T	84.4	Confident	74.3	Confident	3 Å²	3	59.5 Å²	59.5	2%	0.018	34%	0.336	C	S	.	.	H	α-helix	trans	-68.8	-41.6	176.2	-58.7	0	0	0	0	110.3	V231 D232 L237 E238 L239 I288 H346 L347	V231-T235 HydrophobicContact CG1-CG2 3.56Å; D232-T235 WeakPolarHBondContact O-CA 3.43Å; D232-T235 WeakPolarHBondContact O-CB 3.24Å; D232-T235 PolarHBondContact O-N 3.3Å; D232-T235 WeakPolarHBondContact OD1-CA 3.35Å; D232-T235 WeakPolarHBondContact OD1-CB 3.39Å; D232-T235 PolarHBondContact OD1-N 2.94Å; D232-T235 PolarHBondContact OD1-OG1 2.75Å; T235-L237 VanDerWaalsContact C-N 3.31Å; T235-L237 PolarHBondContact O-N 3.1Å; T235-E238 PolarHBondContact O-N 2.94Å; T235-E238 VanDerWaalsContact O-N 3.12Å; T235-L239 HydrophobicContact CG2-CD1 4.34Å; T235-L239 PolarHBondContact O-N 2.48Å; T235-I288 HydrophobicContact CG2-CD1 3.8Å; T235-I288 HydrophobicContact CG2-CG2 3.46Å; T235-I288 VanDerWaalsContact CG2-CG2 3.46Å; T235-H346 PolarHBondContact OG1-NE2 2.76Å; T235-L347 HydrophobicContact CG2-CD2 3.98Å
236	S	84.1	Confident	76.2	Confident	12 Å²	12	60.4 Å²	60.4	8%	0.084	33%	0.333	C	S	.	.	H	α-helix	trans	-55.6	-48.4	173.2	-57.4	0	0	0	0	110.2	M35 V231 D232 T233 E238 L239 Y240	M35-S236 WeakPolarHBondContact CE-O 3.41Å; V231-S236 WeakPolarHBondContact CG1-OG 3.33Å; D232-S236 PolarHBondContact O-N 3.31Å; D232-S236 PolarHBondContact O-OG 3.12Å; T233-S236 PolarHBondContact O-N 2.85Å; S236-E238 VanDerWaalsContact C-N 3.32Å; S236-E238 PolarHBondContact O-N 3.35Å; S236-L239 PolarHBondContact O-N 2.96Å; S236-Y240 WeakPolarHBondContact O-CB 3.36Å; S236-Y240 PolarHBondContact O-N 2.85Å
237	L	86.8	Confident	78.4	Confident	75 Å²	75	55.6 Å²	55.6	39%	0.393	30%	0.302	S	S	.	.	H	α-helix	trans	-57.9	-40.2	176	-70.3	173	0	0	0	113.4	M39 T233 S234 T235 Y240 K241	M39-L237 HydrophobicContact CE-CD2 3.55Å; M39-L237 HydrophobicContact SD-CD2 4.38Å; T233-L237 WeakPolarHBondContact O-CG 3.39Å; T233-L237 PolarHBondContact O-N 2.81Å; S234-L237 PolarHBondContact O-N 3.42Å; T235-L237 VanDerWaalsContact C-N 3.31Å; T235-L237 PolarHBondContact O-N 3.1Å; L237-Y240 PolarHBondContact O-N 3.08Å; L237-K241 VanDerWaalsContact O-CG 3.28Å; L237-K241 WeakPolarHBondContact O-CG 3.41Å; L237-K241 PolarHBondContact O-N 2.78Å
238	E	88.9	Confident	80.4	Confident	28 Å²	28	53.7 Å²	53.7	13%	0.131	29%	0.286	C	S	.	.	H	α-helix	trans	-70.6	-38	178.4	-69.1	-53.8	134.6	0	0	113.1	S234 T235 S236 Y240 K241 L242 R344 A345 L347	S234-E238 PolarHBondContact O-N 3.14Å; T235-E238 PolarHBondContact O-N 2.94Å; T235-E238 VanDerWaalsContact O-N 3.12Å; S236-E238 VanDerWaalsContact C-N 3.32Å; S236-E238 PolarHBondContact O-N 3.35Å; E238-Y240 VanDerWaalsContact C-N 3.34Å; E238-K241 PolarHBondContact O-N 2.97Å; E238-K241 IonicContact OE1-NZ 3.83Å; E238-K241 PolarHBondContact OE1-NZ 2.83Å; E238-L242 PolarHBondContact O-N 3.44Å; E238-R344 IonicContact OE2-CZ 3.78Å; E238-R344 IonicContact OE2-NE 3.76Å; E238-R344 PolarHBondContact OE2-NE 3.38Å; E238-R344 IonicContact OE2-NH2 3.81Å; E238-A345 HydrophobicContact CG-CB 4.47Å; E238-L347 HydrophobicContact CB-CD1 3.61Å; E238-L347 HydrophobicContact CB-CG 4.47Å
239	L	88.9	Confident	82.3	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-63.1	-42.3	171.8	-74.5	172.7	0	0	0	111	L31 M35 V231 T235 S236 K241 L242 I243 V286 I288 L347	L31-L239 HydrophobicContact CD2-CD1 3.8Å; M35-L239 HydrophobicContact CE-CB 3.67Å; M35-L239 HydrophobicContact SD-CB 4.04Å; M35-L239 HydrophobicContact SD-CD1 4.19Å; V231-L239 HydrophobicContact CG1-CD1 4.3Å; T235-L239 HydrophobicContact CG2-CD1 4.34Å; T235-L239 PolarHBondContact O-N 2.48Å; S236-L239 PolarHBondContact O-N 2.96Å; L239-K241 VanDerWaalsContact C-N 3.3Å; L239-K241 PolarHBondContact O-N 3.22Å; L239-L242 WeakPolarHBondContact O-CB 3.37Å; L239-L242 PolarHBondContact O-N 3.16Å; L239-I243 PolarHBondContact O-N 2.89Å; L239-I243 VanDerWaalsContact O-N 3.1Å; L239-V286 HydrophobicContact CD2-CG1 3.89Å; L239-I288 HydrophobicContact CD1-CD1 3.8Å; L239-I288 HydrophobicContact CD2-CD1 4.18Å; L239-I288 HydrophobicContact CG-CD1 4.29Å; L239-L347 HydrophobicContact CD2-CD1 3.99Å; L239-L347 HydrophobicContact CD2-CD2 4.26Å; L239-L347 HydrophobicContact CG-CD1 4.16Å; L239-L347 HydrophobicContact CG-CD2 4.49Å
240	Y	88.6	Confident	83.8	Confident	54 Å²	54	46.1 Å²	46.1	21%	0.212	25%	0.25	C	C	.	.	H	α-helix	trans	-63.4	-39	179.3	-177.6	-101.3	0	0	0	111.1	M39 S236 L237 E238 L242 I243 N244	M39-Y240 HydrophobicContact CE-CD1 3.02Å; M39-Y240 HydrophobicContact CE-CD2 3.72Å; M39-Y240 HydrophobicContact CE-CE1 3.38Å; M39-Y240 HydrophobicContact CE-CE2 4.08Å; M39-Y240 HydrophobicContact CE-CG 3.17Å; M39-Y240 HydrophobicContact SD-CD1 3.6Å; M39-Y240 HydrophobicContact SD-CE1 3.26Å; M39-Y240 WeakPolarHBondContact SD-CE1 3.32Å; M39-Y240 HydrophobicContact SD-CE2 4.38Å; M39-Y240 HydrophobicContact SD-CG 4.23Å; S236-Y240 WeakPolarHBondContact O-CB 3.36Å; S236-Y240 PolarHBondContact O-N 2.85Å; L237-Y240 PolarHBondContact O-N 3.08Å; E238-Y240 VanDerWaalsContact C-N 3.34Å; Y240-L242 VanDerWaalsContact C-N 3.29Å; Y240-L242 PolarHBondContact O-N 3.45Å; Y240-I243 PolarHBondContact O-N 2.73Å; Y240-I243 VanDerWaalsContact O-N 3.15Å; Y240-N244 VanDerWaalsContact CE1-CG 3.41Å; Y240-N244 WeakPolarHBondContact CE1-ND2 3.34Å; Y240-N244 VanDerWaalsContact CZ-OD1 3.28Å; Y240-N244 WeakPolarHBondContact O-CB 3.32Å; Y240-N244 PolarHBondContact O-N 2.54Å; Y240-N244 PolarHBondContact OH-ND2 3.18Å; Y240-N244 VanDerWaalsContact OH-ND2 3.14Å; Y240-N244 PolarHBondContact OH-OD1 2.91Å
241	K	91.3	Very high	85.4	Confident	83 Å²	83	43.1 Å²	43.1	36%	0.361	23%	0.225	S	C	.	.	H	α-helix	trans	-61.1	-36.9	173.1	-70.4	171.2	-163.3	172.8	0	112.1	L237 E238 L239 I243 T245 R344	L237-K241 VanDerWaalsContact O-CG 3.28Å; L237-K241 WeakPolarHBondContact O-CG 3.41Å; L237-K241 PolarHBondContact O-N 2.78Å; E238-K241 PolarHBondContact O-N 2.97Å; E238-K241 IonicContact OE1-NZ 3.83Å; E238-K241 PolarHBondContact OE1-NZ 2.83Å; L239-K241 VanDerWaalsContact C-N 3.3Å; L239-K241 PolarHBondContact O-N 3.22Å; K241-I243 VanDerWaalsContact C-N 3.34Å; K241-T245 WeakPolarHBondContact O-CB 3.43Å; K241-T245 WeakPolarHBondContact O-CG2 3.39Å; K241-T245 PolarHBondContact O-N 2.86Å; K241-T245 PolarHBondContact O-OG1 3.14Å; K241-R344 VanDerWaalsContact CD-NH2 3.33Å
242	L	91	Very high	86.3	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-67.1	-35.4	175.2	-68.6	174	0	0	0	112	E238 L239 Y240 T245 Y247 L248 K342 L347 V349	E238-L242 PolarHBondContact O-N 3.44Å; L239-L242 WeakPolarHBondContact O-CB 3.37Å; L239-L242 PolarHBondContact O-N 3.16Å; Y240-L242 VanDerWaalsContact C-N 3.29Å; Y240-L242 PolarHBondContact O-N 3.45Å; L242-T245 PolarHBondContact O-OG1 3Å; L242-Y247 HydrophobicContact CD2-CD1 3.99Å; L242-Y247 HydrophobicContact CD2-CG 4.43Å; L242-Y247 WeakPolarHBondContact O-CA 3.3Å; L242-Y247 VanDerWaalsContact O-CB 3.32Å; L242-Y247 WeakPolarHBondContact O-CB 3.49Å; L242-Y247 PolarHBondContact O-N 3.31Å; L242-L248 HydrophobicContact CB-CD1 3.91Å; L242-L248 HydrophobicContact CB-CG 4.09Å; L242-L248 HydrophobicContact CD1-CD1 4.01Å; L242-L248 PolarHBondContact O-N 3.33Å; L242-L248 VanDerWaalsContact O-N 3.09Å; L242-K342 HydrophobicContact CD2-CD 4.26Å; L242-L347 HydrophobicContact CD1-CD1 3.98Å; L242-V349 HydrophobicContact CD1-CG2 4.22Å
243	I	90.6	Very high	86.8	Confident	25 Å²	25	46.5 Å²	46.5	13%	0.128	25%	0.251	C	S	.	.	H	α-helix	trans	-71.5	-50.4	175.7	-63.3	162.8	0	0	0	110.6	A32 L239 Y240 K241 T245 N246 L248 V251	A32-I243 HydrophobicContact CB-CD1 3.81Å; L239-I243 PolarHBondContact O-N 2.89Å; L239-I243 VanDerWaalsContact O-N 3.1Å; Y240-I243 PolarHBondContact O-N 2.73Å; Y240-I243 VanDerWaalsContact O-N 3.15Å; K241-I243 VanDerWaalsContact C-N 3.34Å; I243-T245 VanDerWaalsContact C-N 3.27Å; I243-T245 PolarHBondContact O-N 3.01Å; I243-N246 WeakPolarHBondContact O-CA 3.45Å; I243-N246 PolarHBondContact O-N 3.03Å; I243-L248 WeakPolarHBondContact CA-O 3.47Å; I243-L248 HydrophobicContact CG1-CB 4.25Å; I243-V251 HydrophobicContact CD1-CG2 4.05Å; I243-V251 HydrophobicContact CG1-CG2 4.37Å
244	N	90.2	Very high	87.3	Confident	89 Å²	89	44.4 Å²	44.4	48%	0.476	24%	0.238	S	C	.	.	H	α-helix	trans	-64.5	-28.6	-179.1	-85.1	18.5	0	0	0	114	Y240 N246	Y240-N244 VanDerWaalsContact CE1-CG 3.41Å; Y240-N244 WeakPolarHBondContact CE1-ND2 3.34Å; Y240-N244 VanDerWaalsContact CZ-OD1 3.28Å; Y240-N244 WeakPolarHBondContact O-CB 3.32Å; Y240-N244 PolarHBondContact O-N 2.54Å; Y240-N244 PolarHBondContact OH-ND2 3.18Å; Y240-N244 VanDerWaalsContact OH-ND2 3.14Å; Y240-N244 PolarHBondContact OH-OD1 2.91Å; N244-N246 PolarHBondContact O-N 2.91Å
245	T	89.2	Confident	87.8	Confident	79 Å²	79	44.9 Å²	44.9	49%	0.485	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	6	172.5	52.6	0	0	0	0	112.7	K241 L242 I243 Y247	K241-T245 WeakPolarHBondContact O-CB 3.43Å; K241-T245 WeakPolarHBondContact O-CG2 3.39Å; K241-T245 PolarHBondContact O-N 2.86Å; K241-T245 PolarHBondContact O-OG1 3.14Å; L242-T245 PolarHBondContact O-OG1 3Å; I243-T245 VanDerWaalsContact C-N 3.27Å; I243-T245 PolarHBondContact O-N 3.01Å; T245-Y247 PolarHBondContact O-N 3.11Å
246	N	87.6	Confident	87.9	Confident	120 Å²	120	47 Å²	47	64%	0.642	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.5	37.5	-172.9	-64.3	-55.5	0	0	0	111.9	I243 N244 A269 V272	I243-N246 WeakPolarHBondContact O-CA 3.45Å; I243-N246 PolarHBondContact O-N 3.03Å; N244-N246 PolarHBondContact O-N 2.91Å; N246-A269 WeakPolarHBondContact O-CB 3.4Å; N246-V272 WeakPolarHBondContact O-CG2 3.45Å
247	Y	89.7	Confident	87.9	Confident	9 Å²	9	51.5 Å²	51.5	4%	0.035	28%	0.284	C	S	.	.	S	Bend	trans	-88.7	-47.5	173.3	-172.6	-95.5	0	0	0	110.6	L242 T245 L268 A269 V272 E276 L341 K342 V349	L242-Y247 HydrophobicContact CD2-CD1 3.99Å; L242-Y247 HydrophobicContact CD2-CG 4.43Å; L242-Y247 WeakPolarHBondContact O-CA 3.3Å; L242-Y247 VanDerWaalsContact O-CB 3.32Å; L242-Y247 WeakPolarHBondContact O-CB 3.49Å; L242-Y247 PolarHBondContact O-N 3.31Å; T245-Y247 PolarHBondContact O-N 3.11Å; Y247-L268 HydrophobicContact CE1-CD2 4.18Å; Y247-A269 PolarHBondContact O-N 2.96Å; Y247-A269 VanDerWaalsContact O-N 3.08Å; Y247-V272 HydrophobicContact CD2-CG1 3.84Å; Y247-V272 HydrophobicContact CD2-CG2 4.25Å; Y247-V272 HydrophobicContact CE2-CG1 3.6Å; Y247-E276 WeakPolarHBondContact CE2-OE1 3.41Å; Y247-E276 WeakPolarHBondContact CE2-OE2 3.13Å; Y247-E276 VanDerWaalsContact CZ-OE2 3.3Å; Y247-E276 PolarHBondContact OH-OE2 3.16Å; Y247-L341 WeakPolarHBondContact OH-CB 3.42Å; Y247-K342 HydrophobicContact CD1-CD 3.94Å; Y247-K342 HydrophobicContact CD2-CD 3.84Å; Y247-K342 HydrophobicContact CE1-CB 3.9Å; Y247-K342 HydrophobicContact CE1-CD 3.64Å; Y247-K342 HydrophobicContact CE1-CG 4.4Å; Y247-K342 HydrophobicContact CE2-CB 4.33Å; Y247-K342 HydrophobicContact CE2-CD 3.54Å; Y247-K342 HydrophobicContact CG-CD 4.04Å; Y247-K342 VanDerWaalsContact CZ-CD 3.46Å; Y247-K342 WeakPolarHBondContact OH-CB 2.86Å; Y247-V349 HydrophobicContact CE1-CB 4.27Å; Y247-V349 HydrophobicContact CE1-CG1 4.12Å; Y247-V349 HydrophobicContact CE1-CG2 4.12Å
248	L	90.8	Very high	87.4	Confident	1 Å²	1	49.7 Å²	49.7	1%	0.005	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	137.7	168.8	-60.1	177.7	0	0	0	109.2	L242 I243 V251 I267 L268 V284 V286 V349	L242-L248 HydrophobicContact CB-CD1 3.91Å; L242-L248 HydrophobicContact CB-CG 4.09Å; L242-L248 HydrophobicContact CD1-CD1 4.01Å; L242-L248 PolarHBondContact O-N 3.33Å; L242-L248 VanDerWaalsContact O-N 3.09Å; I243-L248 WeakPolarHBondContact CA-O 3.47Å; I243-L248 HydrophobicContact CG1-CB 4.25Å; L248-V251 HydrophobicContact CD1-CG2 3.9Å; L248-I267 CarbonylContact C-O 3.59Å; L248-L268 HydrophobicContact CD2-CD2 4.19Å; L248-V284 HydrophobicContact CD2-CG2 3.86Å; L248-V286 HydrophobicContact CD1-CG2 3.93Å; L248-V349 HydrophobicContact CD2-CG1 4.37Å
249	K	89.5	Confident	86.6	Confident	132 Å²	132	56.3 Å²	56.3	57%	0.574	31%	0.312	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.2	-48	171.6	179.6	178.1	177.2	-179.4	0	110.8	I267	K249-I267 HydrophobicContact CB-CB 4.42Å; K249-I267 HydrophobicContact CB-CG2 4.26Å; K249-I267 HydrophobicContact CD-CG2 4.14Å; K249-I267 PolarHBondContact N-O 2.85Å
250	D	86.6	Confident	86.1	Confident	33 Å²	33	57.1 Å²	57.1	18%	0.176	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	153.7	-179.7	-158.6	7.1	0	0	0	111.4	S30 H252 S266 I267	S30-D250 WeakPolarHBondContact CB-OD1 3.14Å; S30-D250 WeakPolarHBondContact CB-OD2 3.37Å; D250-H252 IonicContact OD2-CE1 2.8Å; D250-H252 PolarHBondContact OD2-CE1 3.29Å; D250-H252 VanDerWaalsContact OD2-CE1 3.29Å; D250-H252 IonicContact OD2-ND1 2.93Å; D250-H252 IonicContact OD2-NE2 3.93Å; D250-S266 VanDerWaalsContact O-CA 3.31Å; D250-S266 WeakPolarHBondContact O-CA 3.45Å; D250-S266 VanDerWaalsContact O-CB 3.28Å; D250-S266 WeakPolarHBondContact O-CB 3.5Å; D250-I267 PolarHBondContact O-N 3.46Å
251	V	88.1	Confident	86.1	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	111.9	174.7	-179.7	0	0	0	0	107.8	L31 I243 L248 F264	L31-V251 HydrophobicContact CB-CB 4.33Å; L31-V251 HydrophobicContact CB-CG1 4.34Å; L31-V251 WeakPolarHBondContact CB-O 3.49Å; L31-V251 HydrophobicContact CD2-CB 4.32Å; L31-V251 HydrophobicContact CD2-CG1 3.71Å; L31-V251 PolarHBondContact N-O 2.63Å; I243-V251 HydrophobicContact CD1-CG2 4.05Å; I243-V251 HydrophobicContact CG1-CG2 4.37Å; L248-V251 HydrophobicContact CD1-CG2 3.9Å; V251-F264 HydrophobicContact CG1-CB 4.21Å; V251-F264 HydrophobicContact CG1-CD1 4.39Å
252	H	84.5	Confident	86	Confident	65 Å²	65	51.2 Å²	51.2	30%	0.301	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	-162.9	-178.8	-61.9	-72.2	0	0	0	111.2	D250 H265 I267	D250-H252 IonicContact OD2-CE1 2.8Å; D250-H252 PolarHBondContact OD2-CE1 3.29Å; D250-H252 VanDerWaalsContact OD2-CE1 3.29Å; D250-H252 IonicContact OD2-ND1 2.93Å; D250-H252 IonicContact OD2-NE2 3.93Å; H252-H265 HydrophobicContact CB-CB 4.4Å; H252-H265 AromaticContact CD2-CE1 3.7Å; H252-H265 AromaticContact CD2-ND1 3.34Å; H252-H265 PolarHBondContact CD2-ND1 2.76Å; H252-H265 VanDerWaalsContact CD2-ND1 3.34Å; H252-H265 AromaticContact CG-ND1 3.71Å; H252-H265 PolarHBondContact N-O 3Å; H252-I267 WeakPolarHBondContact NE2-CD1 3.45Å
253	G	79.9	Confident	86.1	Confident	45 Å²	45	52.4 Å²	52.4	46%	0.464	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	173.3	-175.6	0	0	0	0	0	115.6	V255 H265	G253-V255 PolarHBondContact O-N 2.82Å; G253-H265 PolarHBondContact O-N 3.36Å; G253-H265 VanDerWaalsContact O-N 3.09Å
254	V	86.7	Confident	86.2	Confident	43 Å²	43	51.6 Å²	51.6	26%	0.261	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	125.5	179.2	179.6	0	0	0	0	110.9	Q229 T257 V262 F264	Q229-V254 VanDerWaalsContact OE1-CG2 3.24Å; V254-T257 HydrophobicContact CG1-CG2 3.6Å; V254-V262 HydrophobicContact CB-CG1 4.46Å; V254-V262 HydrophobicContact CG1-CG1 3.59Å; V254-V262 HydrophobicContact CG2-CG1 4.02Å; V254-F264 HydrophobicContact CG2-CD1 3.91Å; V254-F264 HydrophobicContact CG2-CE1 3.38Å; V254-F264 HydrophobicContact CG2-CE2 4.41Å; V254-F264 HydrophobicContact CG2-CZ 3.67Å
255	V	87.3	Confident	86.3	Confident	46 Å²	46	48.3 Å²	48.3	28%	0.279	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	-47.7	174.6	174	0	0	0	0	110.6	G253 V263 H265 F352 P360	G253-V255 PolarHBondContact O-N 2.82Å; V255-V263 HydrophobicContact CB-CB 4.44Å; V255-V263 HydrophobicContact CB-CG1 4.26Å; V255-V263 WeakPolarHBondContact CB-O 3.42Å; V255-V263 PolarHBondContact N-O 3.03Å; V255-H265 HydrophobicContact CG2-CB 3.51Å; V255-F352 HydrophobicContact CG1-CE2 4.36Å; V255-F352 HydrophobicContact CG2-CE2 3.92Å; V255-P360 HydrophobicContact CG1-CB 3.62Å; V255-P360 HydrophobicContact CG1-CG 3.89Å
256	A	85.6	Confident	86.5	Confident	47 Å²	47	44.6 Å²	44.6	39%	0.388	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	139.3	-177.5	0	0	0	0	0	110.7	V263	A256-V263 HydrophobicContact CB-CB 4.36Å; A256-V263 PolarHBondContact N-O 2.86Å; A256-V263 PolarHBondContact O-N 2.78Å
257	T	83.4	Confident	86.6	Confident	108 Å²	108	40.1 Å²	40.1	66%	0.663	23%	0.23	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-108.3	121.1	169.6	55.9	0	0	0	0	109.2	V254 V262	V254-T257 HydrophobicContact CG1-CG2 3.6Å; T257-V262 HydrophobicContact CG2-CG1 4.16Å
258	G	76.5	Confident	86.7	Confident	37 Å²	37	39.7 Å²	39.7	38%	0.381	23%	0.229	S	C	.	.			trans	-105.4	174.9	173.7	0	0	0	0	0	111.6	A261 K290	G258-A261 CarbonylContact C-O 3.55Å; G258-A261 VanDerWaalsContact CA-O 3.24Å; G258-A261 WeakPolarHBondContact CA-O 3.36Å; G258-A261 PolarHBondContact N-O 2.78Å; G258-K290 WeakPolarHBondContact O-CE 3.35Å; G258-K290 PolarHBondContact O-NZ 2.82Å
259	K	73.3	Confident	86.5	Confident	166 Å²	166	40.2 Å²	40.2	72%	0.722	23%	0.234	S	C	*	.	S	Bend	trans	-66.9	-39.3	172.8	-65.1	-177.9	179.3	173.5	0	111.4	F296	K259-F296 HydrophobicContact CB-CE2 3.6Å; K259-F296 HydrophobicContact CB-CZ 3.46Å; K259-F296 VanDerWaalsContact CB-CZ 3.46Å; K259-F296 HydrophobicContact CD-CZ 4.32Å; K259-F296 WeakPolarHBondContact O-CE2 3.19Å
260	E	77.9	Confident	86.1	Confident	17 Å²	17	40.3 Å²	40.3	8%	0.079	24%	0.236	C	C	.	.	S	Bend	trans	-102.7	-21.5	-174.4	-61.5	-166.9	114.3	0	0	114.3	K290 F296 R299 W319 Q418	E260-K290 PolarHBondContact O-N 3.26Å; E260-F296 HydrophobicContact CB-CZ 4.34Å; E260-F296 HydrophobicContact CG-CD1 4.15Å; E260-F296 HydrophobicContact CG-CD2 4.32Å; E260-F296 HydrophobicContact CG-CE1 3.35Å; E260-F296 HydrophobicContact CG-CE2 3.54Å; E260-F296 HydrophobicContact CG-CZ 3.01Å; E260-F296 WeakPolarHBondContact OE1-CD1 3.47Å; E260-F296 WeakPolarHBondContact OE1-CE1 3.37Å; E260-R299 IonicContact OE1-CZ 2.74Å; E260-R299 IonicContact OE1-NE 2.69Å; E260-R299 PolarHBondContact OE1-NE 3.26Å; E260-R299 IonicContact OE1-NH2 3.54Å; E260-R299 PolarHBondContact OE1-NH2 3.48Å; E260-W319 VanDerWaalsContact OE1-CH2 3.31Å; E260-W319 WeakPolarHBondContact OE1-CH2 3.47Å; E260-W319 VanDerWaalsContact OE1-CZ3 3.32Å; E260-W319 WeakPolarHBondContact OE1-CZ3 3.24Å; E260-W319 WeakPolarHBondContact OE2-CZ3 3.28Å; E260-Q418 PolarHBondContact OE2-NE2 3.45Å
261	A	88.4	Confident	85.7	Confident	7 Å²	7	47.1 Å²	47.1	6%	0.058	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	162.1	-174	0	0	0	0	0	111.6	G258 K287 I288 Y289	G258-A261 CarbonylContact C-O 3.55Å; G258-A261 VanDerWaalsContact CA-O 3.24Å; G258-A261 WeakPolarHBondContact CA-O 3.36Å; G258-A261 PolarHBondContact N-O 2.78Å; A261-K287 HydrophobicContact CB-CD 4.4Å; A261-K287 HydrophobicContact CB-CG 3.86Å; A261-I288 CarbonylContact C-O 3.42Å; A261-I288 WeakPolarHBondContact CA-O 3.37Å; A261-I288 VanDerWaalsContact CB-O 3.28Å; A261-I288 WeakPolarHBondContact CB-O 3.35Å; A261-Y289 HydrophobicContact CB-CD1 4.33Å; A261-Y289 HydrophobicContact CB-CG 4.49Å
262	V	89.7	Confident	85.2	Confident	6 Å²	6	48 Å²	48	4%	0.036	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	137.8	167	-176.5	0	0	0	0	107.2	V254 T257 F264 I288 K290	V254-V262 HydrophobicContact CB-CG1 4.46Å; V254-V262 HydrophobicContact CG1-CG1 3.59Å; V254-V262 HydrophobicContact CG2-CG1 4.02Å; T257-V262 HydrophobicContact CG2-CG1 4.16Å; V262-F264 HydrophobicContact CB-CD2 4.49Å; V262-F264 HydrophobicContact CB-CE2 3.91Å; V262-F264 HydrophobicContact CG1-CD2 3.96Å; V262-F264 HydrophobicContact CG1-CE2 3.41Å; V262-F264 VanDerWaalsContact CG1-CE2 3.41Å; V262-F264 HydrophobicContact CG1-CZ 3.92Å; V262-I288 PolarHBondContact N-O 3.42Å; V262-I288 PolarHBondContact O-N 2.82Å; V262-K290 HydrophobicContact CG2-CG 4.4Å
263	V	92.7	Very high	84.7	Confident	25 Å²	25	46 Å²	46	15%	0.152	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	123.9	177.1	-175.4	0	0	0	0	108.2	V255 A256 A285 V286 K287	V255-V263 HydrophobicContact CB-CB 4.44Å; V255-V263 HydrophobicContact CB-CG1 4.26Å; V255-V263 WeakPolarHBondContact CB-O 3.42Å; V255-V263 PolarHBondContact N-O 3.03Å; A256-V263 HydrophobicContact CB-CB 4.36Å; A256-V263 PolarHBondContact N-O 2.86Å; A256-V263 PolarHBondContact O-N 2.78Å; V263-A285 HydrophobicContact CG1-CB 3.88Å; V263-V286 WeakPolarHBondContact CA-O 3.29Å; V263-K287 HydrophobicContact CG2-CB 4.2Å; V263-K287 HydrophobicContact CG2-CD 4.38Å; V263-K287 HydrophobicContact CG2-CG 4.03Å
264	F	92.2	Very high	84.2	Confident	9 Å²	9	51.3 Å²	51.3	4%	0.039	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	148.5	174.8	-70.9	-97.9	0	0	0	110.2	V231 V251 V254 V262 A285 V286 I288	V231-F264 HydrophobicContact CG2-CE2 4.01Å; V231-F264 HydrophobicContact CG2-CZ 3.59Å; V251-F264 HydrophobicContact CG1-CB 4.21Å; V251-F264 HydrophobicContact CG1-CD1 4.39Å; V254-F264 HydrophobicContact CG2-CD1 3.91Å; V254-F264 HydrophobicContact CG2-CE1 3.38Å; V254-F264 HydrophobicContact CG2-CE2 4.41Å; V254-F264 HydrophobicContact CG2-CZ 3.67Å; V262-F264 HydrophobicContact CB-CD2 4.49Å; V262-F264 HydrophobicContact CB-CE2 3.91Å; V262-F264 HydrophobicContact CG1-CD2 3.96Å; V262-F264 HydrophobicContact CG1-CE2 3.41Å; V262-F264 VanDerWaalsContact CG1-CE2 3.41Å; V262-F264 HydrophobicContact CG1-CZ 3.92Å; F264-A285 CarbonylContact O-C 3.59Å; F264-A285 WeakPolarHBondContact O-CA 3.49Å; F264-V286 HydrophobicContact CB-CB 4.42Å; F264-V286 PolarHBondContact N-O 2.74Å; F264-V286 PolarHBondContact O-N 3.01Å; F264-I288 HydrophobicContact CD2-CD1 3.53Å; F264-I288 HydrophobicContact CD2-CG1 3.88Å; F264-I288 HydrophobicContact CE2-CD1 3.52Å; F264-I288 HydrophobicContact CE2-CG1 4.11Å
265	H	92.9	Very high	83.6	Confident	20 Å²	20	54.4 Å²	54.4	9%	0.093	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	139.4	166.6	172.7	-103.6	0	0	0	108.6	H252 G253 V255 H283 F352	H252-H265 HydrophobicContact CB-CB 4.4Å; H252-H265 AromaticContact CD2-CE1 3.7Å; H252-H265 AromaticContact CD2-ND1 3.34Å; H252-H265 PolarHBondContact CD2-ND1 2.76Å; H252-H265 VanDerWaalsContact CD2-ND1 3.34Å; H252-H265 AromaticContact CG-ND1 3.71Å; H252-H265 PolarHBondContact N-O 3Å; G253-H265 PolarHBondContact O-N 3.36Å; G253-H265 VanDerWaalsContact O-N 3.09Å; V255-H265 HydrophobicContact CG2-CB 3.51Å; H265-H283 AromaticContact CE1-CE1 3.86Å; H265-H283 AromaticContact CE1-ND1 3.36Å; H265-H283 PolarHBondContact CE1-ND1 2.78Å; H265-H283 AromaticContact NE2-CE1 3.68Å; H265-H283 AromaticContact NE2-CG 3.47Å; H265-H283 AromaticContact NE2-ND1 2.92Å; H265-H283 PolarHBondContact NE2-ND1 2.92Å; H265-F352 AromaticContact CD2-CD2 3.87Å; H265-F352 AromaticContact CD2-CE2 3.74Å; H265-F352 AromaticContact CD2-CZ 3.95Å
266	S	92.9	Very high	82.8	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	165.1	179.1	-56.1	0	0	0	0	110.2	D250 V284 V286	D250-S266 VanDerWaalsContact O-CA 3.31Å; D250-S266 WeakPolarHBondContact O-CA 3.45Å; D250-S266 VanDerWaalsContact O-CB 3.28Å; D250-S266 WeakPolarHBondContact O-CB 3.5Å; S266-V284 PolarHBondContact N-O 2.77Å; S266-V284 PolarHBondContact O-N 2.5Å; S266-V284 VanDerWaalsContact O-O 3.13Å; S266-V286 VanDerWaalsContact OG-CG2 3.3Å; S266-V286 WeakPolarHBondContact OG-CG2 3.25Å
267	I	90.9	Very high	81.7	Confident	26 Å²	26	53.4 Å²	53.4	13%	0.133	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	130.6	178.9	-60.6	-178.1	0	0	0	108	L248 K249 D250 H252 E282	L248-I267 CarbonylContact C-O 3.59Å; K249-I267 HydrophobicContact CB-CB 4.42Å; K249-I267 HydrophobicContact CB-CG2 4.26Å; K249-I267 HydrophobicContact CD-CG2 4.14Å; K249-I267 PolarHBondContact N-O 2.85Å; D250-I267 PolarHBondContact O-N 3.46Å; H252-I267 WeakPolarHBondContact NE2-CD1 3.45Å; I267-E282 CarbonylContact C-O 3.49Å; I267-E282 WeakPolarHBondContact CA-O 3.45Å; I267-E282 HydrophobicContact CG2-CB 3.71Å
268	L	90.8	Very high	80.6	Confident	0 Å²	0	57 Å²	57	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	148	172.7	-75.3	171.4	0	0	0	110.7	Y247 L248 V272 H273 E282 V284 L341	Y247-L268 HydrophobicContact CE1-CD2 4.18Å; L248-L268 HydrophobicContact CD2-CD2 4.19Å; L268-V272 HydrophobicContact CD2-CG1 4.13Å; L268-H273 HydrophobicContact CB-CB 4.24Å; L268-E282 PolarHBondContact N-O 3.34Å; L268-V284 HydrophobicContact CD1-CG1 3.5Å; L268-V284 HydrophobicContact CD2-CG1 3.99Å; L268-V284 HydrophobicContact CD2-CG2 4.17Å; L268-V284 HydrophobicContact CG-CB 4.35Å; L268-V284 HydrophobicContact CG-CG1 3.45Å; L268-V284 VanDerWaalsContact CG-CG1 3.45Å; L268-V284 HydrophobicContact CG-CG2 3.96Å; L268-L341 HydrophobicContact CD1-CD1 4.02Å; L268-L341 HydrophobicContact CD2-CD1 4.45Å
269	A	87.5	Confident	79.7	Confident	13 Å²	13	59.4 Å²	59.4	11%	0.107	28%	0.281	C	S	.	.			trans	-64.5	142.6	167.5	0	0	0	0	0	110.5	N246 Y247 Y271 V272 H273	N246-A269 WeakPolarHBondContact O-CB 3.4Å; Y247-A269 PolarHBondContact O-N 2.96Å; Y247-A269 VanDerWaalsContact O-N 3.08Å; A269-Y271 VanDerWaalsContact C-N 3.31Å; A269-Y271 PolarHBondContact O-N 2.73Å; A269-V272 HydrophobicContact CB-CG2 4.33Å; A269-V272 WeakPolarHBondContact O-CA 3.44Å; A269-V272 PolarHBondContact O-N 2.77Å; A269-H273 PolarHBondContact O-N 2.81Å
270	E	80.5	Confident	78.8	Confident	133 Å²	133	61.2 Å²	61.2	62%	0.621	29%	0.291	S	S	*	.	H	α-helix	trans	-51.1	-47.5	-172.8	-176.2	176.8	-177.8	0	0	112.6	V272 H273 F274	E270-V272 VanDerWaalsContact C-N 3.33Å; E270-V272 PolarHBondContact O-N 2.85Å; E270-H273 WeakPolarHBondContact O-CB 3.31Å; E270-H273 PolarHBondContact O-N 2.68Å; E270-F274 HydrophobicContact CG-CD2 4.37Å; E270-F274 HydrophobicContact CG-CE2 3.73Å; E270-F274 WeakPolarHBondContact O-CD2 3.48Å; E270-F274 PolarHBondContact O-N 2.86Å
271	Y	78	Confident	78	Confident	177 Å²	177	61.8 Å²	61.8	69%	0.694	30%	0.302	S	S	*	.	H	α-helix	trans	-62.6	-36.8	177.8	179.5	-102.9	0	0	0	113.6	A269 I275	A269-Y271 VanDerWaalsContact C-N 3.31Å; A269-Y271 PolarHBondContact O-N 2.73Å; Y271-I275 HydrophobicContact CD1-CD1 3.93Å; Y271-I275 HydrophobicContact CE1-CD1 3.35Å; Y271-I275 HydrophobicContact CE2-CD1 4.24Å
272	V	77.7	Confident	77.7	Confident	17 Å²	17	65 Å²	65	10%	0.103	32%	0.316	C	S	.	.	H	α-helix	trans	-74.7	-37.9	-179.9	178.8	0	0	0	0	110.7	N246 Y247 L268 A269 E270 F274 I275 E276	N246-V272 WeakPolarHBondContact O-CG2 3.45Å; Y247-V272 HydrophobicContact CD2-CG1 3.84Å; Y247-V272 HydrophobicContact CD2-CG2 4.25Å; Y247-V272 HydrophobicContact CE2-CG1 3.6Å; L268-V272 HydrophobicContact CD2-CG1 4.13Å; A269-V272 HydrophobicContact CB-CG2 4.33Å; A269-V272 WeakPolarHBondContact O-CA 3.44Å; A269-V272 PolarHBondContact O-N 2.77Å; E270-V272 VanDerWaalsContact C-N 3.33Å; E270-V272 PolarHBondContact O-N 2.85Å; V272-F274 VanDerWaalsContact C-N 3.26Å; V272-F274 PolarHBondContact O-N 2.88Å; V272-I275 PolarHBondContact O-N 3.44Å; V272-E276 HydrophobicContact CG1-CB 4.43Å; V272-E276 HydrophobicContact CG1-CG 3.94Å; V272-E276 PolarHBondContact O-N 3.26Å
273	H	74	Confident	77.8	Confident	24 Å²	24	66.6 Å²	66.6	11%	0.111	32%	0.323	C	S	.	.	H	α-helix	trans	-54	-45.4	175.1	178.6	-104.9	0	0	0	111.2	L268 A269 E270 I275 S277 N279 G281	L268-H273 HydrophobicContact CB-CB 4.24Å; A269-H273 PolarHBondContact O-N 2.81Å; E270-H273 WeakPolarHBondContact O-CB 3.31Å; E270-H273 PolarHBondContact O-N 2.68Å; H273-I275 PolarHBondContact O-N 3.04Å; H273-I275 VanDerWaalsContact O-N 3.16Å; H273-S277 PolarHBondContact O-N 3.08Å; H273-S277 VanDerWaalsContact O-N 3.14Å; H273-N279 PolarHBondContact NE2-O 3.48Å; H273-G281 PolarHBondContact CD2-O 3.27Å; H273-G281 VanDerWaalsContact NE2-C 3.31Å; H273-G281 PolarHBondContact NE2-O 3.33Å
274	F	69.6	Low	77.9	Confident	156 Å²	156	65.5 Å²	65.5	68%	0.684	32%	0.316	S	S	*	.	H	α-helix	trans	-60.9	-22.3	176.2	-73.2	-65.2	0	0	0	114.9	E270 V272	E270-F274 HydrophobicContact CG-CD2 4.37Å; E270-F274 HydrophobicContact CG-CE2 3.73Å; E270-F274 WeakPolarHBondContact O-CD2 3.48Å; E270-F274 PolarHBondContact O-N 2.86Å; V272-F274 VanDerWaalsContact C-N 3.26Å; V272-F274 PolarHBondContact O-N 2.88Å
275	I	74.1	Confident	78	Confident	108 Å²	108	65.4 Å²	65.4	55%	0.554	32%	0.317	S	S	*	.	H	α-helix	trans	-98	-42	-176.4	-63	171.1	0	0	0	111.4	Y271 V272 H273	Y271-I275 HydrophobicContact CD1-CD1 3.93Å; Y271-I275 HydrophobicContact CE1-CD1 3.35Å; Y271-I275 HydrophobicContact CE2-CD1 4.24Å; V272-I275 PolarHBondContact O-N 3.44Å; H273-I275 PolarHBondContact O-N 3.04Å; H273-I275 VanDerWaalsContact O-N 3.16Å
276	E	69.8	Low	78.1	Confident	56 Å²	56	64.4 Å²	64.4	26%	0.262	31%	0.313	S	S	.	.	H	α-helix	trans	-102.6	-29.7	-165.8	-63	-162.1	168.2	0	0	114.1	Y247 V272 K339 L341	Y247-E276 WeakPolarHBondContact CE2-OE1 3.41Å; Y247-E276 WeakPolarHBondContact CE2-OE2 3.13Å; Y247-E276 VanDerWaalsContact CZ-OE2 3.3Å; Y247-E276 PolarHBondContact OH-OE2 3.16Å; V272-E276 HydrophobicContact CG1-CB 4.43Å; V272-E276 HydrophobicContact CG1-CG 3.94Å; V272-E276 PolarHBondContact O-N 3.26Å; E276-K339 PolarHBondContact O-NZ 3Å; E276-L341 HydrophobicContact CB-CD2 4.34Å
277	S	62.7	Low	78.2	Confident	17 Å²	17	65 Å²	65	12%	0.119	32%	0.315	C	S	.	.			trans	-104.3	122.1	-176.9	-175	0	0	0	0	110.6	H273 N279	H273-S277 PolarHBondContact O-N 3.08Å; H273-S277 VanDerWaalsContact O-N 3.14Å; S277-N279 VanDerWaalsContact C-N 3.28Å; S277-N279 PolarHBondContact OG-N 3.15Å; S277-N279 VanDerWaalsContact OG-N 3.11Å; S277-N279 PolarHBondContact OG-O 2.84Å
278	E	61.1	Low	78.2	Confident	182 Å²	182	64 Å²	64	85%	0.85	31%	0.31	S	S	*	.			trans	-84.8	-11.5	163.9	-67.4	179.1	-173.6	0	0	111.3
279	N	57	Low	78.1	Confident	89 Å²	89	64.1 Å²	64.1	48%	0.476	31%	0.311	S	S	.	.	S	Bend	trans	-80.2	143.5	179.6	-63.7	-34.3	0	0	0	109.2	H273 S277 G281 D351	H273-N279 PolarHBondContact NE2-O 3.48Å; S277-N279 VanDerWaalsContact C-N 3.28Å; S277-N279 PolarHBondContact OG-N 3.15Å; S277-N279 VanDerWaalsContact OG-N 3.11Å; S277-N279 PolarHBondContact OG-O 2.84Å; N279-G281 PolarHBondContact O-N 3.18Å; N279-D351 PolarHBondContact ND2-OD2 3.38Å
280	E	55	Low	77.5	Confident	203 Å²	203	66 Å²	66	95%	0.949	32%	0.317	S	S	*	.	S	Bend	trans	-62.3	-8.9	178.2	-66.8	-179.6	156.8	0	0	113.9
281	G	60.6	Low	76.7	Confident	30 Å²	30	60.8 Å²	60.8	31%	0.309	29%	0.294	S	S	.	.			trans	-101.4	128.3	-173.8	0	0	0	0	0	113.5	H273 N279 H283	H273-G281 PolarHBondContact CD2-O 3.27Å; H273-G281 VanDerWaalsContact NE2-C 3.31Å; H273-G281 PolarHBondContact NE2-O 3.33Å; N279-G281 PolarHBondContact O-N 3.18Å; G281-H283 PolarHBondContact O-N 2.92Å; G281-H283 VanDerWaalsContact O-N 3.15Å
282	E	83.1	Confident	75.6	Confident	73 Å²	73	57.9 Å²	57.9	34%	0.341	29%	0.294	S	S	.	.			trans	-69.1	-5.5	172.4	-55.1	-179.6	168.4	0	0	113.2	I267 L268	I267-E282 CarbonylContact C-O 3.49Å; I267-E282 WeakPolarHBondContact CA-O 3.45Å; I267-E282 HydrophobicContact CG2-CB 3.71Å; L268-E282 PolarHBondContact N-O 3.34Å
283	H	91.3	Very high	74.4	Confident	40 Å²	40	59 Å²	59	19%	0.185	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	131.2	-172.7	-60.9	-57.6	0	0	0	113	H265 G281 F352 A356	H265-H283 AromaticContact CE1-CE1 3.86Å; H265-H283 AromaticContact CE1-ND1 3.36Å; H265-H283 PolarHBondContact CE1-ND1 2.78Å; H265-H283 AromaticContact NE2-CE1 3.68Å; H265-H283 AromaticContact NE2-CG 3.47Å; H265-H283 AromaticContact NE2-ND1 2.92Å; H265-H283 PolarHBondContact NE2-ND1 2.92Å; G281-H283 PolarHBondContact O-N 2.92Å; G281-H283 VanDerWaalsContact O-N 3.15Å; H283-F352 HydrophobicContact CB-CB 3.82Å; H283-F352 HydrophobicContact CB-CD1 4.01Å; H283-F352 HydrophobicContact CB-CG 4.1Å; H283-F352 VanDerWaalsContact O-CB 3.25Å; H283-F352 WeakPolarHBondContact O-CB 3.29Å; H283-F352 PolarHBondContact O-N 3.37Å; H283-A356 PolarHBondContact NE2-O 3.2Å
284	V	93.9	Very high	73.2	Confident	2 Å²	2	66 Å²	66	1%	0.012	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	155.6	174.4	-69.9	0	0	0	0	111.3	L248 S266 L268 L341 V349 M350	L248-V284 HydrophobicContact CD2-CG2 3.86Å; S266-V284 PolarHBondContact N-O 2.77Å; S266-V284 PolarHBondContact O-N 2.5Å; S266-V284 VanDerWaalsContact O-O 3.13Å; L268-V284 HydrophobicContact CD1-CG1 3.5Å; L268-V284 HydrophobicContact CD2-CG1 3.99Å; L268-V284 HydrophobicContact CD2-CG2 4.17Å; L268-V284 HydrophobicContact CG-CB 4.35Å; L268-V284 HydrophobicContact CG-CG1 3.45Å; L268-V284 VanDerWaalsContact CG-CG1 3.45Å; L268-V284 HydrophobicContact CG-CG2 3.96Å; V284-L341 HydrophobicContact CG1-CD1 3.48Å; V284-L341 VanDerWaalsContact CG1-CD1 3.48Å; V284-V349 HydrophobicContact CB-CG1 4.01Å; V284-V349 HydrophobicContact CG1-CG1 4.43Å; V284-V349 HydrophobicContact CG2-CG1 3.99Å; V284-M350 WeakPolarHBondContact CA-O 3.46Å; V284-M350 WeakPolarHBondContact CB-O 3.28Å
285	A	94.9	Very high	72.1	Confident	7 Å²	7	66.8 Å²	66.8	6%	0.058	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	128.4	171.4	0	0	0	0	0	109.6	V263 F264 V349 M350 F352	V263-A285 HydrophobicContact CG1-CB 3.88Å; F264-A285 CarbonylContact O-C 3.59Å; F264-A285 WeakPolarHBondContact O-CA 3.49Å; A285-V349 WeakPolarHBondContact O-CA 3.33Å; A285-M350 HydrophobicContact CB-CE 4.03Å; A285-M350 HydrophobicContact CB-CG 4.06Å; A285-M350 PolarHBondContact N-O 3.5Å; A285-M350 PolarHBondContact O-N 2.96Å; A285-F352 HydrophobicContact CB-CD2 4.26Å
286	V	94.7	Very high	70.9	Confident	0 Å²	0	64.3 Å²	64.3	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	104.3	173.5	-175.7	0	0	0	0	108.8	L239 L248 V263 F264 S266 I288 L347 L348 V349	L239-V286 HydrophobicContact CD2-CG1 3.89Å; L248-V286 HydrophobicContact CD1-CG2 3.93Å; V263-V286 WeakPolarHBondContact CA-O 3.29Å; F264-V286 HydrophobicContact CB-CB 4.42Å; F264-V286 PolarHBondContact N-O 2.74Å; F264-V286 PolarHBondContact O-N 3.01Å; S266-V286 VanDerWaalsContact OG-CG2 3.3Å; S266-V286 WeakPolarHBondContact OG-CG2 3.25Å; V286-I288 HydrophobicContact CG1-CG1 4.24Å; V286-L347 HydrophobicContact CG1-CD2 4.46Å; V286-L348 CarbonylContact C-O 3.59Å; V286-L348 WeakPolarHBondContact CA-O 3.42Å; V286-V349 HydrophobicContact CG2-CG1 4.45Å; V286-V349 HydrophobicContact CG2-CG2 4.27Å
287	K	94.2	Very high	69.9	Low	12 Å²	12	70.9 Å²	70.9	5%	0.052	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	119.6	176.4	-174.8	171.2	175.4	-173	0	110	A261 V263 Y289 E323 L347 L348 M350 D415	A261-K287 HydrophobicContact CB-CD 4.4Å; A261-K287 HydrophobicContact CB-CG 3.86Å; V263-K287 HydrophobicContact CG2-CB 4.2Å; V263-K287 HydrophobicContact CG2-CD 4.38Å; V263-K287 HydrophobicContact CG2-CG 4.03Å; K287-Y289 HydrophobicContact CD-CE2 4.35Å; K287-Y289 HydrophobicContact CG-CE2 4.25Å; K287-E323 VanDerWaalsContact CD-OE2 3.25Å; K287-E323 WeakPolarHBondContact CD-OE2 3.26Å; K287-E323 VanDerWaalsContact CE-OE2 3.31Å; K287-E323 WeakPolarHBondContact CE-OE2 3.5Å; K287-E323 IonicContact NZ-OE1 3.97Å; K287-E323 PolarHBondContact NZ-OE1 3Å; K287-E323 IonicContact NZ-OE2 3.7Å; K287-E323 PolarHBondContact NZ-OE2 2.83Å; K287-L347 WeakPolarHBondContact O-CA 3.36Å; K287-L348 HydrophobicContact CB-CB 4.37Å; K287-L348 PolarHBondContact N-O 3.5Å; K287-L348 PolarHBondContact O-N 3.38Å; K287-M350 HydrophobicContact CB-CE 4.16Å; K287-M350 HydrophobicContact CD-CE 4.36Å; K287-D415 IonicContact NZ-OD1 3.83Å; K287-D415 PolarHBondContact NZ-OD1 2.96Å
288	I	91.4	Very high	69.4	Low	6 Å²	6	75.8 Å²	75.8	3%	0.031	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	115.6	-177.1	-50.3	-163.1	0	0	0	108.7	T235 L239 A261 V262 F264 V286 L347	T235-I288 HydrophobicContact CG2-CD1 3.8Å; T235-I288 HydrophobicContact CG2-CG2 3.46Å; T235-I288 VanDerWaalsContact CG2-CG2 3.46Å; L239-I288 HydrophobicContact CD1-CD1 3.8Å; L239-I288 HydrophobicContact CD2-CD1 4.18Å; L239-I288 HydrophobicContact CG-CD1 4.29Å; A261-I288 CarbonylContact C-O 3.42Å; A261-I288 WeakPolarHBondContact CA-O 3.37Å; A261-I288 VanDerWaalsContact CB-O 3.28Å; A261-I288 WeakPolarHBondContact CB-O 3.35Å; V262-I288 PolarHBondContact N-O 3.42Å; V262-I288 PolarHBondContact O-N 2.82Å; F264-I288 HydrophobicContact CD2-CD1 3.53Å; F264-I288 HydrophobicContact CD2-CG1 3.88Å; F264-I288 HydrophobicContact CE2-CD1 3.52Å; F264-I288 HydrophobicContact CE2-CG1 4.11Å; V286-I288 HydrophobicContact CG1-CG1 4.24Å; I288-L347 HydrophobicContact CB-CD2 3.95Å; I288-L347 HydrophobicContact CD1-CD2 3.75Å; I288-L347 HydrophobicContact CG1-CD2 3.48Å; I288-L347 VanDerWaalsContact CG1-CD2 3.48Å; I288-L347 HydrophobicContact CG2-CD2 3.81Å
289	Y	88.2	Confident	69	Low	1 Å²	1	69.1 Å²	69.1	0%	0.004	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	123.7	176	-73.8	-95	0	0	0	111.3	A261 K287 T291 W319 A320 E323 H346 A417	A261-Y289 HydrophobicContact CB-CD1 4.33Å; A261-Y289 HydrophobicContact CB-CG 4.49Å; K287-Y289 HydrophobicContact CD-CE2 4.35Å; K287-Y289 HydrophobicContact CG-CE2 4.25Å; Y289-T291 PolarHBondContact O-N 3.42Å; Y289-W319 HydrophobicContact CD1-CB 4.07Å; Y289-W319 HydrophobicContact CE1-CB 3.88Å; Y289-W319 HydrophobicContact CE1-CE3 4.19Å; Y289-A320 HydrophobicContact CD2-CB 3.75Å; Y289-A320 HydrophobicContact CE2-CB 3.79Å; Y289-E323 WeakPolarHBondContact OH-CB 3.39Å; Y289-E323 VanDerWaalsContact OH-CD 3.29Å; Y289-E323 PolarHBondContact OH-OE2 3.01Å; Y289-H346 WeakPolarHBondContact CD2-O 3.31Å; Y289-H346 PolarHBondContact N-O 3.49Å; Y289-H346 PolarHBondContact O-CD2 3.21Å; Y289-H346 VanDerWaalsContact O-CD2 3.26Å; Y289-A417 HydrophobicContact CE1-CB 4.22Å; Y289-A417 WeakPolarHBondContact OH-CB 3.43Å
290	K	76.6	Confident	68.7	Low	54 Å²	54	68.1 Å²	68.1	24%	0.235	35%	0.353	C	S	.	.			trans	-62.8	126.6	-174.7	-69.3	178.3	174.9	176.5	0	111.1	G258 E260 V262 L293 L316	G258-K290 WeakPolarHBondContact O-CE 3.35Å; G258-K290 PolarHBondContact O-NZ 2.82Å; E260-K290 PolarHBondContact O-N 3.26Å; V262-K290 HydrophobicContact CG2-CG 4.4Å; K290-L293 HydrophobicContact CB-CD2 4.35Å; K290-L293 WeakPolarHBondContact O-CD1 3.44Å; K290-L293 WeakPolarHBondContact O-CG 3.48Å; K290-L316 WeakPolarHBondContact O-CD2 3.42Å
291	T	63.5	Low	68.5	Low	23 Å²	23	62.7 Å²	62.7	14%	0.141	33%	0.328	C	S	.	.	S	Bend	trans	-79.1	-28.4	-177.4	52.9	0	0	0	0	114.2	D232 Y289 L316	D232-T291 WeakPolarHBondContact OD2-CB 3.48Å; D232-T291 PolarHBondContact OD2-OG1 2.93Å; Y289-T291 PolarHBondContact O-N 3.42Å; T291-L316 VanDerWaalsContact CA-CD1 3.48Å; T291-L316 HydrophobicContact CG2-CD1 4.05Å
292	T	55.3	Low	68	Low	115 Å²	115	62.5 Å²	62.5	71%	0.706	32%	0.318	S	S	*	.			trans	-107	75.2	-174.3	44.4	0	0	0	0	111.5	N294	T292-N294 PolarHBondContact O-N 3.12Å
293	L	52.3	Low	66.5	Low	42 Å²	42	60.7 Å²	60.7	22%	0.22	31%	0.312	C	S	.	.			trans	-92.5	75.1	-178	-67.7	157.2	0	0	0	112.3	K290 E295 F296 L316	K290-L293 HydrophobicContact CB-CD2 4.35Å; K290-L293 WeakPolarHBondContact O-CD1 3.44Å; K290-L293 WeakPolarHBondContact O-CG 3.48Å; L293-E295 PolarHBondContact O-N 3.18Å; L293-F296 HydrophobicContact CB-CB 4.38Å; L293-F296 HydrophobicContact CD2-CB 4.49Å; L293-F296 HydrophobicContact CD2-CD2 3.41Å; L293-F296 VanDerWaalsContact CD2-CD2 3.41Å; L293-F296 HydrophobicContact CD2-CE2 3.93Å; L293-F296 HydrophobicContact CD2-CG 4.13Å; L293-L316 HydrophobicContact CD1-CD2 3.81Å
294	N	47.8	Very low	64.5	Low	170 Å²	170	67.2 Å²	67.2	91%	0.909	34%	0.339	S	S	*	.	S	Bend	trans	-76.3	-6.1	166.2	-96.4	-3.5	0	0	0	113.2	T292	T292-N294 PolarHBondContact O-N 3.12Å
295	E	46.8	Very low	62.2	Low	172 Å²	172	72.1 Å²	72.1	80%	0.804	37%	0.374	S	S	*	.	S	Bend	trans	-103.2	-4.3	-174.2	-64	-177.3	174.8	0	0	114.4	L293	L293-E295 PolarHBondContact O-N 3.18Å
296	F	48.9	Very low	59.9	Low	57 Å²	57	76.4 Å²	76.4	25%	0.25	40%	0.396	C	S	.	.			trans	-103.6	99.9	-176.8	-89.4	-97.1	0	0	0	113.6	K259 E260 L293 R299	K259-F296 HydrophobicContact CB-CE2 3.6Å; K259-F296 HydrophobicContact CB-CZ 3.46Å; K259-F296 VanDerWaalsContact CB-CZ 3.46Å; K259-F296 HydrophobicContact CD-CZ 4.32Å; K259-F296 WeakPolarHBondContact O-CE2 3.19Å; E260-F296 HydrophobicContact CB-CZ 4.34Å; E260-F296 HydrophobicContact CG-CD1 4.15Å; E260-F296 HydrophobicContact CG-CD2 4.32Å; E260-F296 HydrophobicContact CG-CE1 3.35Å; E260-F296 HydrophobicContact CG-CE2 3.54Å; E260-F296 HydrophobicContact CG-CZ 3.01Å; E260-F296 WeakPolarHBondContact OE1-CD1 3.47Å; E260-F296 WeakPolarHBondContact OE1-CE1 3.37Å; L293-F296 HydrophobicContact CB-CB 4.38Å; L293-F296 HydrophobicContact CD2-CB 4.49Å; L293-F296 HydrophobicContact CD2-CD2 3.41Å; L293-F296 VanDerWaalsContact CD2-CD2 3.41Å; L293-F296 HydrophobicContact CD2-CE2 3.93Å; L293-F296 HydrophobicContact CD2-CG 4.13Å; F296-R299 HydrophobicContact CD1-CG 4.45Å
297	K	49.7	Very low	57.5	Low	194 Å²	194	85.1 Å²	85.1	84%	0.843	43%	0.434	S	S	*	.			trans	-91.2	-7.4	172.6	-71	-176.6	177.8	178.5	0	114.7
298	N	51.6	Low	55	Low	120 Å²	120	92.4 Å²	92.4	64%	0.642	47%	0.467	S	S	*	.			trans	-109.6	5.7	-167.8	-74.8	-6.1	0	0	0	116.8	A300 Q301	N298-A300 PolarHBondContact O-N 3.41Å; N298-Q301 PolarHBondContact O-N 3.05Å
299	R	53.1	Low	52.9	Low	41 Å²	41	93.9 Å²	93.9	16%	0.155	48%	0.475	C	S	.	.	G	3₁₀ helix	trans	-63.1	-26.2	178	-74.8	-170.5	170.2	178.8	-4.2	114	E260 F296 Q301 Y302 V303 W319	E260-R299 IonicContact OE1-CZ 2.74Å; E260-R299 IonicContact OE1-NE 2.69Å; E260-R299 PolarHBondContact OE1-NE 3.26Å; E260-R299 IonicContact OE1-NH2 3.54Å; E260-R299 PolarHBondContact OE1-NH2 3.48Å; F296-R299 HydrophobicContact CD1-CG 4.45Å; R299-Q301 PolarHBondContact O-N 3.39Å; R299-Q301 VanDerWaalsContact O-N 3.14Å; R299-Y302 PolarHBondContact O-N 2.78Å; R299-V303 PolarHBondContact O-N 3.44Å; R299-W319 HydrophobicContact CG-CH2 4.14Å; R299-W319 HydrophobicContact CG-CZ2 3.74Å
300	A	50.2	Low	50.7	Low	68 Å²	68	101.1 Å²	101.1	56%	0.562	51%	0.514	S	S	*	.	G	3₁₀ helix	trans	-61.2	-24.9	-176.3	0	0	0	0	0	113.8	N298 K304	N298-A300 PolarHBondContact O-N 3.41Å; A300-K304 WeakPolarHBondContact O-CG 3.21Å
301	Q	49.5	Very low	49.2	Very low	90 Å²	90	105.2 Å²	105.2	42%	0.421	53%	0.532	S	S	.	.	G	3₁₀ helix	trans	-69.3	-36.2	179.6	176.4	171.4	-7	0	0	112.6	N298 R299	N298-Q301 PolarHBondContact O-N 3.05Å; R299-Q301 PolarHBondContact O-N 3.39Å; R299-Q301 VanDerWaalsContact O-N 3.14Å
302	Y	50.2	Low	48.8	Very low	26 Å²	26	108.3 Å²	108.3	10%	0.102	55%	0.554	C	S	.	*	T	Hydrogen-bonded Turn	trans	-94.9	-8.9	-172.9	-56.4	-75	0	0	0	114.1	R299 V420 F430 R433	R299-Y302 PolarHBondContact O-N 2.78Å; Y302-V420 HydrophobicContact CD1-CG1 4.43Å; Y302-F430 HydrophobicContact CD1-CE1 4.43Å; Y302-F430 HydrophobicContact CD1-CE2 4.29Å; Y302-F430 AromaticContact CD1-CZ 3.84Å; Y302-F430 HydrophobicContact CD1-CZ 3.84Å; Y302-F430 HydrophobicContact CE1-CD1 4.34Å; Y302-F430 AromaticContact CE1-CE1 3.55Å; Y302-F430 HydrophobicContact CE1-CE1 3.55Å; Y302-F430 HydrophobicContact CE1-CE2 4.12Å; Y302-F430 AromaticContact CE1-CZ 3.4Å; Y302-F430 HydrophobicContact CE1-CZ 3.4Å; Y302-F430 VanDerWaalsContact CE1-CZ 3.4Å; Y302-R433 PolarHBondContact OH-NH2 3.39Å
303	V	52.3	Low	48.7	Very low	35 Å²	35	108.2 Å²	108.2	21%	0.212	54%	0.541	C	S	.	.	S	Bend	trans	-116.2	6.2	-174.6	-172.6	0	0	0	0	111.7	R299 S305 D306 L309	R299-V303 PolarHBondContact O-N 3.44Å; V303-S305 PolarHBondContact O-N 3.24Å; V303-D306 HydrophobicContact CG1-CB 4.47Å; V303-D306 PolarHBondContact O-N 2.87Å; V303-L309 HydrophobicContact CG1-CB 4.41Å; V303-L309 HydrophobicContact CG1-CD2 3.75Å
304	K	48.6	Very low	49	Very low	177 Å²	177	110.4 Å²	110.4	77%	0.77	55%	0.55	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.3	-17.1	-170.1	-118.7	173.3	-173.6	-176.9	0	115.4	A300	A300-K304 WeakPolarHBondContact O-CG 3.21Å
305	S	46.6	Very low	49.6	Very low	105 Å²	105	103 Å²	103	73%	0.734	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-17.1	177	34.1	0	0	0	0	114.5	V303	V303-S305 PolarHBondContact O-N 3.24Å
306	D	46	Very low	50.3	Low	97 Å²	97	94.9 Å²	94.9	52%	0.519	47%	0.474	S	S	.	.			trans	-113	89.1	-168.4	-134.6	-19.7	0	0	0	113.2	V303 H308 L309	V303-D306 HydrophobicContact CG1-CB 4.47Å; V303-D306 PolarHBondContact O-N 2.87Å; D306-H308 PolarHBondContact O-N 3.25Å; D306-H308 VanDerWaalsContact O-N 3.16Å; D306-L309 PolarHBondContact O-N 3.1Å
307	K	44.3	Very low	51.3	Low	183 Å²	183	95.4 Å²	95.4	80%	0.796	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-8.5	-174.5	-68.1	179.7	-179.2	174.4	0	114.4
308	H	42.4	Very low	52.7	Low	165 Å²	165	88.7 Å²	88.7	76%	0.764	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92	-8.3	-177	-63.1	96.7	0	0	0	113.7	D306 N310	D306-H308 PolarHBondContact O-N 3.25Å; D306-H308 VanDerWaalsContact O-N 3.16Å; H308-N310 VanDerWaalsContact C-N 3.3Å; H308-N310 PolarHBondContact O-N 3.28Å; H308-N310 VanDerWaalsContact O-N 3.1Å
309	L	46.9	Very low	54.3	Low	36 Å²	36	83.4 Å²	83.4	19%	0.188	42%	0.424	C	S	.	.			trans	-90.7	48.1	-173.4	-151.4	74.7	0	0	0	113.5	V303 D306 Q314 A315 V318	V303-L309 HydrophobicContact CG1-CB 4.41Å; V303-L309 HydrophobicContact CG1-CD2 3.75Å; D306-L309 PolarHBondContact O-N 3.1Å; L309-Q314 HydrophobicContact CD1-CB 4.39Å; L309-A315 HydrophobicContact CD1-CB 4.49Å; L309-A315 HydrophobicContact CD2-CB 3.69Å; L309-A315 HydrophobicContact CG-CB 3.82Å; L309-V318 HydrophobicContact CD1-CB 4.43Å; L309-V318 HydrophobicContact CD1-CG2 3.78Å
310	N	42.1	Very low	56	Low	154 Å²	154	81.4 Å²	81.4	82%	0.824	42%	0.416	S	S	*	.			trans	-90.5	7.8	-177.9	-85.5	-28.2	0	0	0	114.5	H308	H308-N310 VanDerWaalsContact C-N 3.3Å; H308-N310 PolarHBondContact O-N 3.28Å; H308-N310 VanDerWaalsContact O-N 3.1Å
311	K	44.7	Very low	57.9	Low	140 Å²	140	81.3 Å²	81.3	61%	0.609	40%	0.404	S	S	*	.	S	Bend	trans	-113	117	173.3	-66.7	179.5	-177.6	173.7	0	109.4	R313 Q314 A315	K311-R313 PolarHBondContact O-N 3.04Å; K311-Q314 HydrophobicContact CB-CB 4.41Å; K311-Q314 HydrophobicContact CB-CG 4.34Å; K311-Q314 PolarHBondContact O-N 3.34Å; K311-Q314 VanDerWaalsContact O-N 3.14Å; K311-A315 PolarHBondContact O-N 2.84Å; K311-A315 VanDerWaalsContact O-N 3.09Å
312	S	55.9	Low	59.9	Low	87 Å²	87	80.1 Å²	80.1	61%	0.608	40%	0.396	S	S	*	.	H	α-helix	trans	-55	-29.7	-172.4	56.2	0	0	0	0	114.7	L316	S312-L316 WeakPolarHBondContact O-CD1 3.4Å; S312-L316 WeakPolarHBondContact O-CG 3.37Å; S312-L316 PolarHBondContact O-N 3.04Å
313	R	53.4	Low	62	Low	113 Å²	113	79 Å²	79	43%	0.426	39%	0.391	S	S	.	.	H	α-helix	trans	-75.5	-45.6	177.6	-66.5	-175.1	72.1	102.2	-3.8	113.1	D232 S234 K311 A315 L316 E317	D232-R313 IonicContact OD2-NH1 2.72Å; S234-R313 PolarHBondContact OG-NH2 2.79Å; K311-R313 PolarHBondContact O-N 3.04Å; R313-A315 PolarHBondContact O-N 3.02Å; R313-L316 WeakPolarHBondContact O-CB 3.45Å; R313-L316 PolarHBondContact O-N 3.15Å; R313-E317 PolarHBondContact O-N 3.09Å; R313-E317 VanDerWaalsContact O-N 3.14Å
314	Q	57.6	Low	64	Low	89 Å²	89	79.1 Å²	79.1	42%	0.416	39%	0.388	S	S	.	.	H	α-helix	trans	-58.9	-37.1	173.1	-70.6	178.8	-22.8	0	0	110.6	L309 K311 L316 E317 V318	L309-Q314 HydrophobicContact CD1-CB 4.39Å; K311-Q314 HydrophobicContact CB-CB 4.41Å; K311-Q314 HydrophobicContact CB-CG 4.34Å; K311-Q314 PolarHBondContact O-N 3.34Å; K311-Q314 VanDerWaalsContact O-N 3.14Å; Q314-L316 VanDerWaalsContact C-N 3.27Å; Q314-L316 PolarHBondContact O-N 2.81Å; Q314-E317 PolarHBondContact O-N 3.39Å; Q314-V318 VanDerWaalsContact O-CG2 3.23Å; Q314-V318 WeakPolarHBondContact O-CG2 3.45Å; Q314-V318 PolarHBondContact O-N 2.94Å
315	A	60.3	Low	66.2	Low	13 Å²	13	73.1 Å²	73.1	11%	0.107	36%	0.364	C	S	.	.	H	α-helix	trans	-59.8	-35.5	173.6	0	0	0	0	0	113.1	L309 K311 R313 W319	L309-A315 HydrophobicContact CD1-CB 4.49Å; L309-A315 HydrophobicContact CD2-CB 3.69Å; L309-A315 HydrophobicContact CG-CB 3.82Å; K311-A315 PolarHBondContact O-N 2.84Å; K311-A315 VanDerWaalsContact O-N 3.09Å; R313-A315 PolarHBondContact O-N 3.02Å; A315-W319 PolarHBondContact O-N 3.36Å
316	L	62.7	Low	68.5	Low	2 Å²	2	69.2 Å²	69.2	1%	0.01	33%	0.334	C	S	.	.	H	α-helix	trans	-77.9	-39.2	-178.5	-68.3	161.8	0	0	0	112.9	K290 T291 L293 S312 R313 Q314 V318 W319 A320 H346	K290-L316 WeakPolarHBondContact O-CD2 3.42Å; T291-L316 VanDerWaalsContact CA-CD1 3.48Å; T291-L316 HydrophobicContact CG2-CD1 4.05Å; L293-L316 HydrophobicContact CD1-CD2 3.81Å; S312-L316 WeakPolarHBondContact O-CD1 3.4Å; S312-L316 WeakPolarHBondContact O-CG 3.37Å; S312-L316 PolarHBondContact O-N 3.04Å; R313-L316 WeakPolarHBondContact O-CB 3.45Å; R313-L316 PolarHBondContact O-N 3.15Å; Q314-L316 VanDerWaalsContact C-N 3.27Å; Q314-L316 PolarHBondContact O-N 2.81Å; L316-V318 PolarHBondContact O-N 2.78Å; L316-W319 PolarHBondContact O-N 3.16Å; L316-A320 PolarHBondContact O-N 3.27Å; L316-A320 VanDerWaalsContact O-N 3.13Å; L316-H346 HydrophobicContact CB-CB 4.23Å
317	E	70	Confident	70.9	Confident	69 Å²	69	64.7 Å²	64.7	32%	0.322	31%	0.31	S	S	.	.	H	α-helix	trans	-57.2	-42.2	171.9	-66	174.3	173.3	0	0	110.2	R313 Q314 W319 A320 Q321 A345	R313-E317 PolarHBondContact O-N 3.09Å; R313-E317 VanDerWaalsContact O-N 3.14Å; Q314-E317 PolarHBondContact O-N 3.39Å; E317-W319 VanDerWaalsContact C-N 3.27Å; E317-W319 PolarHBondContact O-N 3.22Å; E317-A320 PolarHBondContact O-N 3.29Å; E317-Q321 WeakPolarHBondContact O-CB 3.5Å; E317-Q321 VanDerWaalsContact O-CG 3.24Å; E317-Q321 WeakPolarHBondContact O-CG 3.4Å; E317-Q321 PolarHBondContact O-N 3.27Å; E317-A345 HydrophobicContact CG-CB 4.43Å
318	V	77.9	Confident	73.4	Confident	52 Å²	52	60 Å²	60	32%	0.315	29%	0.29	S	S	.	.	H	α-helix	trans	-60.5	-34.6	174.9	168.7	0	0	0	0	112.2	L309 Q314 L316 R322	L309-V318 HydrophobicContact CD1-CB 4.43Å; L309-V318 HydrophobicContact CD1-CG2 3.78Å; Q314-V318 VanDerWaalsContact O-CG2 3.23Å; Q314-V318 WeakPolarHBondContact O-CG2 3.45Å; Q314-V318 PolarHBondContact O-N 2.94Å; L316-V318 PolarHBondContact O-N 2.78Å; V318-R322 WeakPolarHBondContact O-CB 3.4Å; V318-R322 PolarHBondContact O-N 2.94Å
319	W	85.1	Confident	75.8	Confident	9 Å²	9	53.2 Å²	53.2	3%	0.034	26%	0.257	C	S	.	.	H	α-helix	trans	-72.3	-45.4	179.1	-76.5	44.5	0	0	0	112.2	E260 Y289 R299 A315 L316 E317 Q321 R322 E323 A417 Q418	E260-W319 VanDerWaalsContact OE1-CH2 3.31Å; E260-W319 WeakPolarHBondContact OE1-CH2 3.47Å; E260-W319 VanDerWaalsContact OE1-CZ3 3.32Å; E260-W319 WeakPolarHBondContact OE1-CZ3 3.24Å; E260-W319 WeakPolarHBondContact OE2-CZ3 3.28Å; Y289-W319 HydrophobicContact CD1-CB 4.07Å; Y289-W319 HydrophobicContact CE1-CB 3.88Å; Y289-W319 HydrophobicContact CE1-CE3 4.19Å; R299-W319 HydrophobicContact CG-CH2 4.14Å; R299-W319 HydrophobicContact CG-CZ2 3.74Å; A315-W319 PolarHBondContact O-N 3.36Å; L316-W319 PolarHBondContact O-N 3.16Å; E317-W319 VanDerWaalsContact C-N 3.27Å; E317-W319 PolarHBondContact O-N 3.22Å; W319-Q321 VanDerWaalsContact C-N 3.34Å; W319-Q321 PolarHBondContact O-N 3.06Å; W319-R322 PolarHBondContact O-N 2.92Å; W319-E323 PolarHBondContact O-N 3.01Å; W319-A417 HydrophobicContact CE3-CB 3.96Å; W319-Q418 HydrophobicContact CH2-CG 3.81Å; W319-Q418 HydrophobicContact CZ3-CG 3.52Å
320	A	89.9	Confident	78.2	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-61.5	-43.9	175.8	0	0	0	0	0	111.4	Y289 L316 E317 Y324 V343	Y289-A320 HydrophobicContact CD2-CB 3.75Å; Y289-A320 HydrophobicContact CE2-CB 3.79Å; L316-A320 PolarHBondContact O-N 3.27Å; L316-A320 VanDerWaalsContact O-N 3.13Å; E317-A320 PolarHBondContact O-N 3.29Å; A320-Y324 WeakPolarHBondContact O-CB 3.06Å; A320-Y324 PolarHBondContact O-N 2.86Å; A320-V343 HydrophobicContact CB-CG2 3.91Å
321	Q	90.5	Very high	80.7	Confident	66 Å²	66	47 Å²	47	31%	0.308	23%	0.226	S	C	.	.	H	α-helix	trans	-63.5	-42.4	174.9	-72.2	175.7	-5.9	0	0	112.2	E317 W319 Y324 L325 V343	E317-Q321 WeakPolarHBondContact O-CB 3.5Å; E317-Q321 VanDerWaalsContact O-CG 3.24Å; E317-Q321 WeakPolarHBondContact O-CG 3.4Å; E317-Q321 PolarHBondContact O-N 3.27Å; W319-Q321 VanDerWaalsContact C-N 3.34Å; W319-Q321 PolarHBondContact O-N 3.06Å; Q321-Y324 WeakPolarHBondContact O-CB 3.43Å; Q321-Y324 PolarHBondContact O-N 3.24Å; Q321-L325 WeakPolarHBondContact O-CG 3.3Å; Q321-L325 PolarHBondContact O-N 3.03Å; Q321-V343 HydrophobicContact CG-CG2 4.15Å
322	R	89.8	Confident	83.1	Confident	64 Å²	64	47.1 Å²	47.1	24%	0.242	23%	0.229	C	C	.	.	H	α-helix	trans	-63.4	-45.3	178.4	-176.6	171.4	179.6	179.4	-5.6	111.6	V318 W319 L325 H326 A417 A419	V318-R322 WeakPolarHBondContact O-CB 3.4Å; V318-R322 PolarHBondContact O-N 2.94Å; W319-R322 PolarHBondContact O-N 2.92Å; R322-L325 PolarHBondContact O-N 3.05Å; R322-H326 WeakPolarHBondContact CG-CE1 3.46Å; R322-H326 PolarHBondContact NE-CE1 3.41Å; R322-H326 VanDerWaalsContact O-CG 3.25Å; R322-H326 PolarHBondContact O-N 3.27Å; R322-A417 WeakPolarHBondContact CD-O 3.42Å; R322-A417 PolarHBondContact NE-O 3.28Å; R322-A419 PolarHBondContact NE-O 3.07Å; R322-A419 PolarHBondContact NH2-O 3.01Å
323	E	94.7	Very high	85	Confident	2 Å²	2	44 Å²	44	1%	0.009	21%	0.208	C	C	.	.	H	α-helix	trans	-62.3	-43.5	175.4	-174.3	169.9	-139.1	0	0	111.6	K287 Y289 W319 L325 H326 L327 L348 D415 V416 A417	K287-E323 VanDerWaalsContact CD-OE2 3.25Å; K287-E323 WeakPolarHBondContact CD-OE2 3.26Å; K287-E323 VanDerWaalsContact CE-OE2 3.31Å; K287-E323 WeakPolarHBondContact CE-OE2 3.5Å; K287-E323 IonicContact NZ-OE1 3.97Å; K287-E323 PolarHBondContact NZ-OE1 3Å; K287-E323 IonicContact NZ-OE2 3.7Å; K287-E323 PolarHBondContact NZ-OE2 2.83Å; Y289-E323 WeakPolarHBondContact OH-CB 3.39Å; Y289-E323 VanDerWaalsContact OH-CD 3.29Å; Y289-E323 PolarHBondContact OH-OE2 3.01Å; W319-E323 PolarHBondContact O-N 3.01Å; E323-L325 VanDerWaalsContact C-N 3.33Å; E323-L325 PolarHBondContact O-N 3.36Å; E323-H326 PolarHBondContact O-N 3.05Å; E323-L327 HydrophobicContact CG-CD1 3.92Å; E323-L327 HydrophobicContact CG-CG 4.16Å; E323-L327 WeakPolarHBondContact O-CB 3.08Å; E323-L327 WeakPolarHBondContact O-CG 3.25Å; E323-L327 PolarHBondContact O-N 3.32Å; E323-L348 HydrophobicContact CB-CD2 3.97Å; E323-L348 HydrophobicContact CG-CD2 3.65Å; E323-L348 VanDerWaalsContact OE2-CD2 3.29Å; E323-L348 WeakPolarHBondContact OE2-CD2 3.22Å; E323-D415 WeakPolarHBondContact OE1-CA 3.11Å; E323-V416 HydrophobicContact CG-CG2 3.82Å; E323-V416 PolarHBondContact OE1-N 3.02Å; E323-A417 HydrophobicContact CB-CB 4.06Å
324	Y	95.4	Very high	87	Confident	39 Å²	39	41 Å²	41	15%	0.153	21%	0.212	C	C	.	.	H	α-helix	trans	-53.6	-48.4	174.5	-179.7	-96.2	0	0	0	112.2	A320 Q321 K328 P340 L341 V343 L348	A320-Y324 WeakPolarHBondContact O-CB 3.06Å; A320-Y324 PolarHBondContact O-N 2.86Å; Q321-Y324 WeakPolarHBondContact O-CB 3.43Å; Q321-Y324 PolarHBondContact O-N 3.24Å; Y324-K328 HydrophobicContact CD1-CD 4.2Å; Y324-K328 HydrophobicContact CE1-CD 3.65Å; Y324-K328 VanDerWaalsContact CE1-CE 3.4Å; Y324-K328 HydrophobicContact CE1-CG 4.45Å; Y324-K328 VanDerWaalsContact CE1-NZ 3.3Å; Y324-K328 VanDerWaalsContact CZ-NZ 3.33Å; Y324-K328 WeakPolarHBondContact O-CG 3.47Å; Y324-K328 PolarHBondContact O-N 3.11Å; Y324-K328 WeakPolarHBondContact OH-CE 3.33Å; Y324-K328 PolarHBondContact OH-NZ 3.34Å; Y324-P340 HydrophobicContact CD2-CB 3.59Å; Y324-P340 HydrophobicContact CD2-CG 4.44Å; Y324-P340 HydrophobicContact CE2-CB 3.9Å; Y324-P340 HydrophobicContact CG-CB 4.31Å; Y324-L341 PolarHBondContact OH-O 3.32Å; Y324-V343 HydrophobicContact CD1-CG1 4.09Å; Y324-V343 HydrophobicContact CD2-CB 3.96Å; Y324-V343 HydrophobicContact CD2-CG1 4.1Å; Y324-V343 HydrophobicContact CE1-CG1 4.41Å; Y324-V343 HydrophobicContact CE2-CG1 4.47Å; Y324-V343 HydrophobicContact CG-CB 4.05Å; Y324-V343 HydrophobicContact CG-CG1 3.92Å; Y324-L348 HydrophobicContact CD2-CD1 3.69Å; Y324-L348 HydrophobicContact CG-CD1 4.32Å
325	L	93.8	Very high	88.9	Confident	50 Å²	50	37.1 Å²	37.1	26%	0.262	20%	0.195	S	C	.	.	H	α-helix	trans	-66.7	-42.1	179.9	-69.2	172.5	0	0	0	112.5	Q321 R322 E323 K328 R329 L500	Q321-L325 WeakPolarHBondContact O-CG 3.3Å; Q321-L325 PolarHBondContact O-N 3.03Å; R322-L325 PolarHBondContact O-N 3.05Å; E323-L325 VanDerWaalsContact C-N 3.33Å; E323-L325 PolarHBondContact O-N 3.36Å; L325-K328 WeakPolarHBondContact O-CB 3.49Å; L325-K328 PolarHBondContact O-N 3.11Å; L325-R329 PolarHBondContact O-N 3.18Å; L325-L500 HydrophobicContact CD1-CD2 3.73Å
326	H	95.1	Very high	90.6	Very high	24 Å²	24	40 Å²	40	11%	0.111	21%	0.207	C	C	.	.	H	α-helix	trans	-65.9	-44.5	177.7	-67.2	167.1	0	0	0	112.2	R322 E323 K328 R329 F330 L394 V416 A419	R322-H326 WeakPolarHBondContact CG-CE1 3.46Å; R322-H326 PolarHBondContact NE-CE1 3.41Å; R322-H326 VanDerWaalsContact O-CG 3.25Å; R322-H326 PolarHBondContact O-N 3.27Å; E323-H326 PolarHBondContact O-N 3.05Å; H326-K328 VanDerWaalsContact C-N 3.3Å; H326-K328 PolarHBondContact O-N 3.16Å; H326-R329 WeakPolarHBondContact O-CB 3.48Å; H326-R329 PolarHBondContact O-N 3.16Å; H326-R329 VanDerWaalsContact O-N 3.15Å; H326-F330 WeakPolarHBondContact O-CD1 3.42Å; H326-F330 WeakPolarHBondContact O-CG 3.36Å; H326-F330 PolarHBondContact O-N 3.41Å; H326-L394 HydrophobicContact CB-CD1 4.33Å; H326-V416 HydrophobicContact CB-CB 4.27Å; H326-V416 HydrophobicContact CB-CG2 3.69Å; H326-V416 PolarHBondContact ND1-O 3.27Å; H326-A419 PolarHBondContact CE1-O 3.14Å
327	L	96.9	Very high	92.2	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.005	21%	0.208	C	C	.	.	H	α-helix	trans	-60.3	-41.1	175.2	-72.5	175.6	0	0	0	110.9	E323 R329 F330 V331 C337 P340 L348 M350 V416	E323-L327 HydrophobicContact CG-CD1 3.92Å; E323-L327 HydrophobicContact CG-CG 4.16Å; E323-L327 WeakPolarHBondContact O-CB 3.08Å; E323-L327 WeakPolarHBondContact O-CG 3.25Å; E323-L327 PolarHBondContact O-N 3.32Å; L327-R329 VanDerWaalsContact C-N 3.33Å; L327-R329 PolarHBondContact O-N 3.33Å; L327-F330 WeakPolarHBondContact O-CB 3.43Å; L327-F330 PolarHBondContact O-N 3.37Å; L327-F330 VanDerWaalsContact O-N 3.15Å; L327-V331 WeakPolarHBondContact O-CG2 2.98Å; L327-V331 PolarHBondContact O-N 3.31Å; L327-C337 HydrophobicContact CD2-CB 3.88Å; L327-P340 HydrophobicContact CB-CB 3.95Å; L327-P340 HydrophobicContact CB-CG 3.62Å; L327-P340 HydrophobicContact CD1-CB 4.23Å; L327-L348 HydrophobicContact CD1-CD2 4.13Å; L327-M350 HydrophobicContact CD1-SD 4.1Å; L327-V416 HydrophobicContact CD2-CG2 3.75Å; L327-V416 HydrophobicContact CG-CG2 3.73Å
328	K	95.5	Very high	93.4	Very high	86 Å²	86	37.1 Å²	37.1	37%	0.374	19%	0.194	S	C	.	.	H	α-helix	trans	-57.8	-46.3	173.8	-83	-171.4	160.6	177.3	0	111.6	Y324 L325 H326 F330 V331 Q332 P340	Y324-K328 HydrophobicContact CD1-CD 4.2Å; Y324-K328 HydrophobicContact CE1-CD 3.65Å; Y324-K328 VanDerWaalsContact CE1-CE 3.4Å; Y324-K328 HydrophobicContact CE1-CG 4.45Å; Y324-K328 VanDerWaalsContact CE1-NZ 3.3Å; Y324-K328 VanDerWaalsContact CZ-NZ 3.33Å; Y324-K328 WeakPolarHBondContact O-CG 3.47Å; Y324-K328 PolarHBondContact O-N 3.11Å; Y324-K328 WeakPolarHBondContact OH-CE 3.33Å; Y324-K328 PolarHBondContact OH-NZ 3.34Å; L325-K328 WeakPolarHBondContact O-CB 3.49Å; L325-K328 PolarHBondContact O-N 3.11Å; H326-K328 VanDerWaalsContact C-N 3.3Å; H326-K328 PolarHBondContact O-N 3.16Å; K328-F330 VanDerWaalsContact C-N 3.28Å; K328-F330 PolarHBondContact O-N 3.2Å; K328-V331 PolarHBondContact O-N 3.14Å; K328-Q332 VanDerWaalsContact O-CG 3.3Å; K328-Q332 WeakPolarHBondContact O-CG 3.02Å; K328-Q332 PolarHBondContact O-N 2.92Å; K328-P340 HydrophobicContact CB-CG 4.28Å; K328-P340 HydrophobicContact CG-CG 3.5Å; K328-P340 VanDerWaalsContact CG-CG 3.5Å
329	R	93.8	Very high	94.2	Very high	21 Å²	21	37.8 Å²	37.8	8%	0.079	19%	0.193	C	C	.	.	H	α-helix	trans	-63.1	-35.5	178.1	-165.3	170.9	-170.5	-178.5	-2.5	111.9	L325 H326 L327 A333 C392 E393	L325-R329 PolarHBondContact O-N 3.18Å; H326-R329 WeakPolarHBondContact O-CB 3.48Å; H326-R329 PolarHBondContact O-N 3.16Å; H326-R329 VanDerWaalsContact O-N 3.15Å; L327-R329 VanDerWaalsContact C-N 3.33Å; L327-R329 PolarHBondContact O-N 3.33Å; R329-A333 WeakPolarHBondContact O-CB 3.13Å; R329-A333 PolarHBondContact O-N 3.06Å; R329-A333 VanDerWaalsContact O-N 3.09Å; R329-C392 WeakPolarHBondContact CD-O 3.27Å; R329-C392 HydrophobicContact CG-CB 4Å; R329-C392 PolarHBondContact NE-O 3.46Å; R329-C392 PolarHBondContact NH1-O 3.02Å; R329-C392 PolarHBondContact NH2-O 2.96Å; R329-E393 IonicContact CZ-OE2 2.75Å; R329-E393 IonicContact NH1-OE2 2.76Å; R329-E393 IonicContact NH2-OE2 2.85Å; R329-E393 PolarHBondContact NH2-OE2 2.82Å
330	F	96.9	Very high	94.7	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-69.9	-46.2	177.8	-79.4	23	0	0	0	111.6	H326 L327 K328 Q332 A333 G334 I335 C337 M388 C392 L394 V413 V416	H326-F330 WeakPolarHBondContact O-CD1 3.42Å; H326-F330 WeakPolarHBondContact O-CG 3.36Å; H326-F330 PolarHBondContact O-N 3.41Å; L327-F330 WeakPolarHBondContact O-CB 3.43Å; L327-F330 PolarHBondContact O-N 3.37Å; L327-F330 VanDerWaalsContact O-N 3.15Å; K328-F330 VanDerWaalsContact C-N 3.28Å; K328-F330 PolarHBondContact O-N 3.2Å; F330-Q332 VanDerWaalsContact C-N 3.34Å; F330-Q332 PolarHBondContact O-N 3.34Å; F330-A333 CarbonylContact O-C 3.44Å; F330-A333 PolarHBondContact O-N 3.09Å; F330-A333 VanDerWaalsContact O-N 3.12Å; F330-G334 PolarHBondContact O-N 3.12Å; F330-G334 VanDerWaalsContact O-N 3.07Å; F330-I335 HydrophobicContact CB-CB 4.02Å; F330-I335 HydrophobicContact CB-CD1 4.36Å; F330-I335 HydrophobicContact CB-CG2 4.48Å; F330-I335 HydrophobicContact CD1-CD1 4.06Å; F330-I335 HydrophobicContact CD2-CB 4.4Å; F330-I335 HydrophobicContact CD2-CD1 4.16Å; F330-I335 HydrophobicContact CD2-CG2 4.03Å; F330-I335 HydrophobicContact CE1-CD1 4.43Å; F330-I335 HydrophobicContact CG-CB 4.33Å; F330-I335 HydrophobicContact CG-CD1 3.94Å; F330-I335 HydrophobicContact CG-CG2 4.46Å; F330-I335 PolarHBondContact O-N 3.32Å; F330-C337 HydrophobicContact CB-CB 4.4Å; F330-C337 WeakPolarHBondContact CB-SG 3.39Å; F330-C337 HydrophobicContact CD2-CB 4.32Å; F330-M388 HydrophobicContact CE1-CG 3.74Å; F330-M388 HydrophobicContact CE1-SD 4.44Å; F330-M388 HydrophobicContact CE2-CE 3.61Å; F330-M388 HydrophobicContact CE2-CG 4.46Å; F330-M388 HydrophobicContact CE2-SD 4.36Å; F330-M388 HydrophobicContact CZ-CE 3.53Å; F330-M388 HydrophobicContact CZ-CG 3.54Å; F330-M388 HydrophobicContact CZ-SD 3.67Å; F330-C392 HydrophobicContact CD1-CB 4.24Å; F330-C392 HydrophobicContact CE1-CB 4.21Å; F330-L394 HydrophobicContact CE1-CB 4.44Å; F330-L394 HydrophobicContact CE1-CD1 3.84Å; F330-V413 HydrophobicContact CE2-CG1 4.24Å; F330-V416 HydrophobicContact CD2-CG1 4.24Å; F330-V416 HydrophobicContact CE2-CB 4.36Å; F330-V416 HydrophobicContact CE2-CG1 3.5Å; F330-V416 VanDerWaalsContact CE2-CG1 3.5Å; F330-V416 HydrophobicContact CZ-CG1 4.02Å
331	V	95.5	Very high	94.8	Very high	59 Å²	59	38.5 Å²	38.5	36%	0.358	20%	0.198	S	C	.	.	H	α-helix	trans	-56.7	-48.5	174.3	172.9	0	0	0	0	110.3	L327 K328 A333 G334 K339	L327-V331 WeakPolarHBondContact O-CG2 2.98Å; L327-V331 PolarHBondContact O-N 3.31Å; K328-V331 PolarHBondContact O-N 3.14Å; V331-A333 VanDerWaalsContact C-N 3.26Å; V331-A333 PolarHBondContact O-N 3.5Å; V331-G334 PolarHBondContact O-N 3.29Å; V331-K339 HydrophobicContact CG2-CB 4.38Å; V331-K339 HydrophobicContact CG2-CG 4.4Å
332	Q	95.1	Very high	94.9	Very high	144 Å²	144	38.4 Å²	38.4	67%	0.673	20%	0.196	S	C	*	.	H	α-helix	trans	-60.5	-33.6	177.6	-72.9	173.1	-9.2	0	0	113.2	K328 F330 G334	K328-Q332 VanDerWaalsContact O-CG 3.3Å; K328-Q332 WeakPolarHBondContact O-CG 3.02Å; K328-Q332 PolarHBondContact O-N 2.92Å; F330-Q332 VanDerWaalsContact C-N 3.34Å; F330-Q332 PolarHBondContact O-N 3.34Å; Q332-G334 VanDerWaalsContact C-N 3.31Å
333	A	95.9	Very high	95.1	Very high	20 Å²	20	37.3 Å²	37.3	17%	0.165	20%	0.197	C	C	.	.	H	α-helix	trans	-83.1	-6.9	178.2	0	0	0	0	0	114	R329 F330 V331 I387 K391 C392	R329-A333 WeakPolarHBondContact O-CB 3.13Å; R329-A333 PolarHBondContact O-N 3.06Å; R329-A333 VanDerWaalsContact O-N 3.09Å; F330-A333 CarbonylContact O-C 3.44Å; F330-A333 PolarHBondContact O-N 3.09Å; F330-A333 VanDerWaalsContact O-N 3.12Å; V331-A333 VanDerWaalsContact C-N 3.26Å; V331-A333 PolarHBondContact O-N 3.5Å; A333-I387 HydrophobicContact CB-CG2 3.66Å; A333-K391 HydrophobicContact CB-CB 4.42Å; A333-C392 WeakPolarHBondContact CB-SG 3.25Å
334	G	95.1	Very high	94.8	Very high	50 Å²	50	41.1 Å²	41.1	52%	0.515	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.9	21.8	-178.6	0	0	0	0	0	114.3	F330 V331 Q332	F330-G334 PolarHBondContact O-N 3.12Å; F330-G334 VanDerWaalsContact O-N 3.07Å; V331-G334 PolarHBondContact O-N 3.29Å; Q332-G334 VanDerWaalsContact C-N 3.31Å
335	I	96.7	Very high	94.4	Very high	8 Å²	8	40.6 Å²	40.6	4%	0.041	22%	0.215	C	C	.	.			trans	-78.5	131.9	171	-59.2	177.8	0	0	0	108.4	F330 C337 A384 I387 M388 V413	F330-I335 HydrophobicContact CB-CB 4.02Å; F330-I335 HydrophobicContact CB-CD1 4.36Å; F330-I335 HydrophobicContact CB-CG2 4.48Å; F330-I335 HydrophobicContact CD1-CD1 4.06Å; F330-I335 HydrophobicContact CD2-CB 4.4Å; F330-I335 HydrophobicContact CD2-CD1 4.16Å; F330-I335 HydrophobicContact CD2-CG2 4.03Å; F330-I335 HydrophobicContact CE1-CD1 4.43Å; F330-I335 HydrophobicContact CG-CB 4.33Å; F330-I335 HydrophobicContact CG-CD1 3.94Å; F330-I335 HydrophobicContact CG-CG2 4.46Å; F330-I335 PolarHBondContact O-N 3.32Å; I335-C337 PolarHBondContact O-N 2.99Å; I335-C337 VanDerWaalsContact O-N 3.12Å; I335-C337 PolarHBondContact O-SG 3.25Å; I335-A384 HydrophobicContact CG2-CB 4.21Å; I335-I387 HydrophobicContact CD1-CB 4.18Å; I335-I387 HydrophobicContact CD1-CG2 3.8Å; I335-I387 HydrophobicContact CG1-CB 4.03Å; I335-I387 HydrophobicContact CG1-CG2 3.57Å; I335-M388 HydrophobicContact CD1-CB 4.01Å; I335-V413 HydrophobicContact CG2-CG2 4.28Å
336	M	96.6	Very high	94.2	Very high	74 Å²	74	38.5 Å²	38.5	37%	0.365	20%	0.204	S	C	.	.			trans	-67.8	108.7	173.2	-65.8	-64.9	123.8	0	0	109.8	K410 V411 W412 V413	M336-K410 HydrophobicContact SD-CD 4.06Å; M336-V411 WeakPolarHBondContact CB-O 3.32Å; M336-W412 HydrophobicContact CB-CD2 4.27Å; M336-W412 HydrophobicContact CB-CE3 4.4Å; M336-W412 WeakPolarHBondContact O-CA 3.39Å; M336-V413 PolarHBondContact O-N 3.37Å
337	C	96.4	Very high	94.1	Very high	6 Å²	6	37.4 Å²	37.4	4%	0.041	20%	0.198	C	C	.	.			trans	-154.1	159	179.2	62.2	0	0	0	0	109.1	L327 F330 I335 K339 W412 V413	L327-C337 HydrophobicContact CD2-CB 3.88Å; F330-C337 HydrophobicContact CB-CB 4.4Å; F330-C337 WeakPolarHBondContact CB-SG 3.39Å; F330-C337 HydrophobicContact CD2-CB 4.32Å; I335-C337 PolarHBondContact O-N 2.99Å; I335-C337 VanDerWaalsContact O-N 3.12Å; I335-C337 PolarHBondContact O-SG 3.25Å; C337-K339 PolarHBondContact O-N 2.74Å; C337-W412 VanDerWaalsContact O-CZ3 3.32Å; C337-W412 WeakPolarHBondContact O-CZ3 3.29Å; C337-V413 WeakPolarHBondContact CB-O 3.45Å
338	P	95.3	Very high	94	Very high	4 Å²	4	37.3 Å²	37.3	3%	0.026	20%	0.198	C	C	.	.	P	Polyproline II helix	trans	-57.6	124.9	174.6	-23.1	33.7	0	0	0	110.9	P340 M350 I353 V413 I414	P338-P340 WeakPolarHBondContact O-CD 3.28Å; P338-M350 HydrophobicContact CB-CB 4.07Å; P338-M350 HydrophobicContact CB-CG 3.98Å; P338-M350 HydrophobicContact CB-SD 3.83Å; P338-M350 HydrophobicContact CG-SD 4.26Å; P338-I353 HydrophobicContact CG-CG1 4.03Å; P338-V413 WeakPolarHBondContact CD-O 3.29Å; P338-I414 HydrophobicContact CG-CG2 3.86Å
339	K	94.6	Very high	93.9	Very high	67 Å²	67	33.3 Å²	33.3	29%	0.291	18%	0.181	S	C	.	.	P	Polyproline II helix	trans	-65.4	125	175.6	-172.2	-172.9	176.6	-171.9	0	108.5	E276 V331 C337 L341 M350 D351	E276-K339 PolarHBondContact O-NZ 3Å; V331-K339 HydrophobicContact CG2-CB 4.38Å; V331-K339 HydrophobicContact CG2-CG 4.4Å; C337-K339 PolarHBondContact O-N 2.74Å; K339-L341 HydrophobicContact CD-CD2 4.26Å; K339-L341 HydrophobicContact CG-CD2 4.44Å; K339-M350 CarbonylContact O-C 3.6Å; K339-M350 WeakPolarHBondContact O-CA 3.44Å; K339-M350 WeakPolarHBondContact O-CB 3.32Å; K339-D351 HydrophobicContact CB-CB 4.33Å; K339-D351 VanDerWaalsContact CB-CG 3.49Å; K339-D351 WeakPolarHBondContact CB-OD2 3.47Å; K339-D351 PolarHBondContact O-N 3.12Å
340	P	94.6	Very high	94	Very high	8 Å²	8	33.1 Å²	33.1	5%	0.052	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	128.3	177.8	33.8	-33.7	0	0	0	109.2	Y324 L327 K328 P338 L348	Y324-P340 HydrophobicContact CD2-CB 3.59Å; Y324-P340 HydrophobicContact CD2-CG 4.44Å; Y324-P340 HydrophobicContact CE2-CB 3.9Å; Y324-P340 HydrophobicContact CG-CB 4.31Å; L327-P340 HydrophobicContact CB-CB 3.95Å; L327-P340 HydrophobicContact CB-CG 3.62Å; L327-P340 HydrophobicContact CD1-CB 4.23Å; K328-P340 HydrophobicContact CB-CG 4.28Å; K328-P340 HydrophobicContact CG-CG 3.5Å; K328-P340 VanDerWaalsContact CG-CG 3.5Å; P338-P340 WeakPolarHBondContact O-CD 3.28Å; P340-L348 HydrophobicContact CB-CD1 4.37Å
341	L	93	Very high	93.8	Very high	15 Å²	15	33.8 Å²	33.8	8%	0.079	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	-59.7	-176.2	-56.8	178.9	0	0	0	110	Y247 L268 E276 V284 Y324 K339 V349	Y247-L341 WeakPolarHBondContact OH-CB 3.42Å; L268-L341 HydrophobicContact CD1-CD1 4.02Å; L268-L341 HydrophobicContact CD2-CD1 4.45Å; E276-L341 HydrophobicContact CB-CD2 4.34Å; V284-L341 HydrophobicContact CG1-CD1 3.48Å; V284-L341 VanDerWaalsContact CG1-CD1 3.48Å; Y324-L341 PolarHBondContact OH-O 3.32Å; K339-L341 HydrophobicContact CD-CD2 4.26Å; K339-L341 HydrophobicContact CG-CD2 4.44Å; L341-V349 HydrophobicContact CB-CG1 4.49Å; L341-V349 HydrophobicContact CD1-CG1 4.35Å; L341-V349 PolarHBondContact N-O 2.88Å
342	K	92.7	Very high	93.8	Very high	65 Å²	65	32.1 Å²	32.1	28%	0.283	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	144	-176.1	-173.4	168.1	-172.2	168.2	0	112.1	L242 Y247 V349	L242-K342 HydrophobicContact CD2-CD 4.26Å; Y247-K342 HydrophobicContact CD1-CD 3.94Å; Y247-K342 HydrophobicContact CD2-CD 3.84Å; Y247-K342 HydrophobicContact CE1-CB 3.9Å; Y247-K342 HydrophobicContact CE1-CD 3.64Å; Y247-K342 HydrophobicContact CE1-CG 4.4Å; Y247-K342 HydrophobicContact CE2-CB 4.33Å; Y247-K342 HydrophobicContact CE2-CD 3.54Å; Y247-K342 HydrophobicContact CG-CD 4.04Å; Y247-K342 VanDerWaalsContact CZ-CD 3.46Å; Y247-K342 WeakPolarHBondContact OH-CB 2.86Å; K342-V349 HydrophobicContact CB-CB 4.39Å; K342-V349 PolarHBondContact N-O 2.94Å; K342-V349 PolarHBondContact O-N 3.24Å
343	V	92.6	Very high	93.7	Very high	41 Å²	41	26 Å²	26	25%	0.248	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	135.6	170.1	62.7	0	0	0	0	108.6	A320 Q321 Y324 L347	A320-V343 HydrophobicContact CB-CG2 3.91Å; Q321-V343 HydrophobicContact CG-CG2 4.15Å; Y324-V343 HydrophobicContact CD1-CG1 4.09Å; Y324-V343 HydrophobicContact CD2-CB 3.96Å; Y324-V343 HydrophobicContact CD2-CG1 4.1Å; Y324-V343 HydrophobicContact CE1-CG1 4.41Å; Y324-V343 HydrophobicContact CE2-CG1 4.47Å; Y324-V343 HydrophobicContact CG-CB 4.05Å; Y324-V343 HydrophobicContact CG-CG1 3.92Å; V343-L347 WeakPolarHBondContact CA-O 3.35Å; V343-L347 WeakPolarHBondContact CG2-O 3.41Å
344	R	89.5	Confident	93.5	Very high	81 Å²	81	25.7 Å²	25.7	31%	0.306	14%	0.143	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	115.6	177.8	-176	178.9	-178.3	115.2	16.8	109	E238 K241 H346 L347	E238-R344 IonicContact OE2-CZ 3.78Å; E238-R344 IonicContact OE2-NE 3.76Å; E238-R344 PolarHBondContact OE2-NE 3.38Å; E238-R344 IonicContact OE2-NH2 3.81Å; K241-R344 VanDerWaalsContact CD-NH2 3.33Å; R344-H346 PolarHBondContact O-N 3.17Å; R344-H346 VanDerWaalsContact O-N 3.16Å; R344-L347 PolarHBondContact N-O 3Å; R344-L347 WeakPolarHBondContact O-CA 3.16Å; R344-L347 VanDerWaalsContact O-CB 3.29Å; R344-L347 WeakPolarHBondContact O-CB 3.5Å; R344-L347 PolarHBondContact O-N 2.93Å
345	A	87.8	Confident	93.2	Very high	29 Å²	29	25.2 Å²	25.2	24%	0.24	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.1	-119.2	-171.7	0	0	0	0	0	111.1	E238 E317	E238-A345 HydrophobicContact CG-CB 4.47Å; E317-A345 HydrophobicContact CG-CB 4.43Å
346	H	88.5	Confident	92.7	Very high	5 Å²	5	29.1 Å²	29.1	2%	0.023	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.7	13.7	177.7	62.5	-74.9	0	0	0	113.8	T235 Y289 L316 R344	T235-H346 PolarHBondContact OG1-NE2 2.76Å; Y289-H346 WeakPolarHBondContact CD2-O 3.31Å; Y289-H346 PolarHBondContact N-O 3.49Å; Y289-H346 PolarHBondContact O-CD2 3.21Å; Y289-H346 VanDerWaalsContact O-CD2 3.26Å; L316-H346 HydrophobicContact CB-CB 4.23Å; R344-H346 PolarHBondContact O-N 3.17Å; R344-H346 VanDerWaalsContact O-N 3.16Å
347	L	92.4	Very high	92.1	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.005	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	133	175.1	-56.2	176.1	0	0	0	110.7	T235 E238 L239 L242 V286 K287 I288 V343 R344	T235-L347 HydrophobicContact CG2-CD2 3.98Å; E238-L347 HydrophobicContact CB-CD1 3.61Å; E238-L347 HydrophobicContact CB-CG 4.47Å; L239-L347 HydrophobicContact CD2-CD1 3.99Å; L239-L347 HydrophobicContact CD2-CD2 4.26Å; L239-L347 HydrophobicContact CG-CD1 4.16Å; L239-L347 HydrophobicContact CG-CD2 4.49Å; L242-L347 HydrophobicContact CD1-CD1 3.98Å; V286-L347 HydrophobicContact CG1-CD2 4.46Å; K287-L347 WeakPolarHBondContact O-CA 3.36Å; I288-L347 HydrophobicContact CB-CD2 3.95Å; I288-L347 HydrophobicContact CD1-CD2 3.75Å; I288-L347 HydrophobicContact CG1-CD2 3.48Å; I288-L347 VanDerWaalsContact CG1-CD2 3.48Å; I288-L347 HydrophobicContact CG2-CD2 3.81Å; V343-L347 WeakPolarHBondContact CA-O 3.35Å; V343-L347 WeakPolarHBondContact CG2-O 3.41Å; R344-L347 PolarHBondContact N-O 3Å; R344-L347 WeakPolarHBondContact O-CA 3.16Å; R344-L347 VanDerWaalsContact O-CB 3.29Å; R344-L347 WeakPolarHBondContact O-CB 3.5Å; R344-L347 PolarHBondContact O-N 2.93Å
348	L	94.7	Very high	91.5	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	118.8	171.4	171.5	62.1	0	0	0	109.6	V286 K287 E323 Y324 L327 P340 M350	V286-L348 CarbonylContact C-O 3.59Å; V286-L348 WeakPolarHBondContact CA-O 3.42Å; K287-L348 HydrophobicContact CB-CB 4.37Å; K287-L348 PolarHBondContact N-O 3.5Å; K287-L348 PolarHBondContact O-N 3.38Å; E323-L348 HydrophobicContact CB-CD2 3.97Å; E323-L348 HydrophobicContact CG-CD2 3.65Å; E323-L348 VanDerWaalsContact OE2-CD2 3.29Å; E323-L348 WeakPolarHBondContact OE2-CD2 3.22Å; Y324-L348 HydrophobicContact CD2-CD1 3.69Å; Y324-L348 HydrophobicContact CG-CD1 4.32Å; L327-L348 HydrophobicContact CD1-CD2 4.13Å; P340-L348 HydrophobicContact CB-CD1 4.37Å; L348-M350 HydrophobicContact CD2-SD 4.31Å
349	V	94.8	Very high	91.2	Very high	2 Å²	2	39.1 Å²	39.1	1%	0.012	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	127.9	171.6	-169.3	0	0	0	0	108.9	L242 Y247 L248 V284 A285 V286 L341 K342	L242-V349 HydrophobicContact CD1-CG2 4.22Å; Y247-V349 HydrophobicContact CE1-CB 4.27Å; Y247-V349 HydrophobicContact CE1-CG1 4.12Å; Y247-V349 HydrophobicContact CE1-CG2 4.12Å; L248-V349 HydrophobicContact CD2-CG1 4.37Å; V284-V349 HydrophobicContact CB-CG1 4.01Å; V284-V349 HydrophobicContact CG1-CG1 4.43Å; V284-V349 HydrophobicContact CG2-CG1 3.99Å; A285-V349 WeakPolarHBondContact O-CA 3.33Å; V286-V349 HydrophobicContact CG2-CG1 4.45Å; V286-V349 HydrophobicContact CG2-CG2 4.27Å; L341-V349 HydrophobicContact CB-CG1 4.49Å; L341-V349 HydrophobicContact CD1-CG1 4.35Å; L341-V349 PolarHBondContact N-O 2.88Å; K342-V349 HydrophobicContact CB-CB 4.39Å; K342-V349 PolarHBondContact N-O 2.94Å; K342-V349 PolarHBondContact O-N 3.24Å
350	M	95.1	Very high	91.1	Very high	17 Å²	17	39.2 Å²	39.2	8%	0.084	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	166	-177.9	61.9	-171.7	177.3	0	0	111.4	V284 A285 K287 L327 P338 K339 L348 F352	V284-M350 WeakPolarHBondContact CA-O 3.46Å; V284-M350 WeakPolarHBondContact CB-O 3.28Å; A285-M350 HydrophobicContact CB-CE 4.03Å; A285-M350 HydrophobicContact CB-CG 4.06Å; A285-M350 PolarHBondContact N-O 3.5Å; A285-M350 PolarHBondContact O-N 2.96Å; K287-M350 HydrophobicContact CB-CE 4.16Å; K287-M350 HydrophobicContact CD-CE 4.36Å; L327-M350 HydrophobicContact CD1-SD 4.1Å; P338-M350 HydrophobicContact CB-CB 4.07Å; P338-M350 HydrophobicContact CB-CG 3.98Å; P338-M350 HydrophobicContact CB-SD 3.83Å; P338-M350 HydrophobicContact CG-SD 4.26Å; K339-M350 CarbonylContact O-C 3.6Å; K339-M350 WeakPolarHBondContact O-CA 3.44Å; K339-M350 WeakPolarHBondContact O-CB 3.32Å; L348-M350 HydrophobicContact CD2-SD 4.31Å; M350-F352 PolarHBondContact O-N 3.2Å
351	D	93.8	Very high	91.1	Very high	13 Å²	13	39.1 Å²	39.1	7%	0.07	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-52.4	137.3	175.7	-77.4	-0.2	0	0	0	111.7	N279 K339 I353	N279-D351 PolarHBondContact ND2-OD2 3.38Å; K339-D351 HydrophobicContact CB-CB 4.33Å; K339-D351 VanDerWaalsContact CB-CG 3.49Å; K339-D351 WeakPolarHBondContact CB-OD2 3.47Å; K339-D351 PolarHBondContact O-N 3.12Å; D351-I353 HydrophobicContact CB-CD1 4.39Å
352	F	93.9	Very high	91.2	Very high	24 Å²	24	40.8 Å²	40.8	11%	0.105	23%	0.227	C	C	.	.			trans	-81.5	124.9	170.2	-173.3	-102.7	0	0	0	110.3	V255 H265 H283 A285 M350 G358 P360	V255-F352 HydrophobicContact CG1-CE2 4.36Å; V255-F352 HydrophobicContact CG2-CE2 3.92Å; H265-F352 AromaticContact CD2-CD2 3.87Å; H265-F352 AromaticContact CD2-CE2 3.74Å; H265-F352 AromaticContact CD2-CZ 3.95Å; H283-F352 HydrophobicContact CB-CB 3.82Å; H283-F352 HydrophobicContact CB-CD1 4.01Å; H283-F352 HydrophobicContact CB-CG 4.1Å; H283-F352 VanDerWaalsContact O-CB 3.25Å; H283-F352 WeakPolarHBondContact O-CB 3.29Å; H283-F352 PolarHBondContact O-N 3.37Å; A285-F352 HydrophobicContact CB-CD2 4.26Å; M350-F352 PolarHBondContact O-N 3.2Å; F352-G358 WeakPolarHBondContact CZ-O 3.34Å; F352-P360 HydrophobicContact CE2-CB 4.29Å; F352-P360 HydrophobicContact CZ-CB 3.95Å
353	I	93.7	Very high	91.3	Very high	15 Å²	15	40.3 Å²	40.3	8%	0.077	23%	0.226	C	C	.	.			trans	-97.2	105.4	175.3	-48.7	-52	0	0	0	108.1	P338 D351 A361 L405 W407 W412	P338-I353 HydrophobicContact CG-CG1 4.03Å; D351-I353 HydrophobicContact CB-CD1 4.39Å; I353-A361 HydrophobicContact CB-CB 4.45Å; I353-A361 HydrophobicContact CG2-CB 3.81Å; I353-A361 WeakPolarHBondContact O-CB 3.27Å; I353-A361 PolarHBondContact O-N 3.17Å; I353-L405 HydrophobicContact CB-CD1 4.28Å; I353-W407 HydrophobicContact CG2-CB 3.84Å; I353-W407 HydrophobicContact CG2-CG 4.11Å; I353-W412 HydrophobicContact CD1-CD2 3.98Å; I353-W412 HydrophobicContact CD1-CE3 3.42Å; I353-W412 VanDerWaalsContact CD1-CE3 3.42Å; I353-W412 HydrophobicContact CD1-CH2 3.76Å; I353-W412 HydrophobicContact CD1-CZ2 4.27Å; I353-W412 HydrophobicContact CD1-CZ3 3.31Å; I353-W412 HydrophobicContact CG1-CD2 4.2Å; I353-W412 HydrophobicContact CG1-CE3 3.91Å; I353-W412 HydrophobicContact CG1-CZ3 4.3Å; I353-W412 HydrophobicContact CG2-CD2 3.96Å; I353-W412 HydrophobicContact CG2-CE3 4.5Å; I353-W412 HydrophobicContact CG2-CG 3.99Å
354	G	91.8	Very high	91.4	Very high	14 Å²	14	38.3 Å²	38.3	14%	0.144	21%	0.214	C	C	.	.	B	Isolated β-bridge	trans	174.9	-168.9	-173.7	0	0	0	0	0	113.2	R359 W407	G354-R359 CarbonylContact C-O 3.21Å; G354-R359 WeakPolarHBondContact CA-O 3.31Å; G354-W407 VanDerWaalsContact C-CE2 3.48Å; G354-W407 VanDerWaalsContact O-CE2 3.23Å; G354-W407 VanDerWaalsContact O-CZ2 3.26Å; G354-W407 WeakPolarHBondContact O-CZ2 3.41Å; G354-W407 PolarHBondContact O-NE1 3.5Å
355	D	88.4	Confident	91.6	Very high	40 Å²	40	37.3 Å²	37.3	21%	0.214	21%	0.212	C	C	.	.			trans	-81.1	171.7	175.4	66.5	21.6	0	0	0	112.8	D357 G358 R359 W407	D355-D357 PolarHBondContact O-N 3.2Å; D355-D357 WeakPolarHBondContact OD1-CA 3.46Å; D355-D357 WeakPolarHBondContact OD1-CB 3.42Å; D355-D357 PolarHBondContact OD1-N 2.93Å; D355-G358 PolarHBondContact O-N 3.49Å; D355-G358 PolarHBondContact OD1-N 2.85Å; D355-G358 VanDerWaalsContact OD1-N 3.16Å; D355-R359 PolarHBondContact N-O 2.99Å; D355-R359 WeakPolarHBondContact OD1-CB 3.36Å; D355-R359 PolarHBondContact OD1-N 3.49Å; D355-R359 WeakPolarHBondContact OD2-CB 3.32Å; D355-R359 WeakPolarHBondContact OD2-CD 3.44Å; D355-R359 WeakPolarHBondContact OD2-CG 3.34Å; D355-W407 HydrophobicContact CB-CH2 3.83Å; D355-W407 HydrophobicContact CB-CZ2 3.91Å
356	A	86.1	Confident	91.9	Very high	90 Å²	90	41 Å²	41	74%	0.744	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.4	-7.3	177.1	0	0	0	0	0	113.6	H283 G358	H283-A356 PolarHBondContact NE2-O 3.2Å; A356-G358 VanDerWaalsContact C-N 3.34Å
357	D	84.5	Confident	92.2	Very high	123 Å²	123	42.6 Å²	42.6	66%	0.658	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93	3.7	175	-61.9	-36	0	0	0	111.5	D355	D355-D357 PolarHBondContact O-N 3.2Å; D355-D357 WeakPolarHBondContact OD1-CA 3.46Å; D355-D357 WeakPolarHBondContact OD1-CB 3.42Å; D355-D357 PolarHBondContact OD1-N 2.93Å
358	G	83.9	Confident	92.2	Very high	13 Å²	13	49.2 Å²	49.2	13%	0.134	28%	0.277	C	S	.	.	S	Bend	trans	79.6	17.8	-178.6	0	0	0	0	0	114.5	F352 D355 A356	F352-G358 WeakPolarHBondContact CZ-O 3.34Å; D355-G358 PolarHBondContact O-N 3.49Å; D355-G358 PolarHBondContact OD1-N 2.85Å; D355-G358 VanDerWaalsContact OD1-N 3.16Å; A356-G358 VanDerWaalsContact C-N 3.34Å
359	R	88.7	Confident	92.2	Very high	159 Å²	159	50.6 Å²	50.6	60%	0.6	28%	0.284	S	S	*	.	P	Polyproline II helix	trans	-85.8	129.1	174.9	-54.1	-177.2	175.8	144.8	0.9	110.7	G354 D355	G354-R359 CarbonylContact C-O 3.21Å; G354-R359 WeakPolarHBondContact CA-O 3.31Å; D355-R359 PolarHBondContact N-O 2.99Å; D355-R359 WeakPolarHBondContact OD1-CB 3.36Å; D355-R359 PolarHBondContact OD1-N 3.49Å; D355-R359 WeakPolarHBondContact OD2-CB 3.32Å; D355-R359 WeakPolarHBondContact OD2-CD 3.44Å; D355-R359 WeakPolarHBondContact OD2-CG 3.34Å
360	P	92.8	Very high	92.2	Very high	68 Å²	68	54.1 Å²	54.1	44%	0.442	31%	0.305	S	S	.	.	B	Isolated β-bridge	trans	-70.5	147.9	-175.9	30.2	-37.3	0	0	0	111.6	V255 F352	V255-P360 HydrophobicContact CG1-CB 3.62Å; V255-P360 HydrophobicContact CG1-CG 3.89Å; F352-P360 HydrophobicContact CE2-CB 4.29Å; F352-P360 HydrophobicContact CZ-CB 3.95Å
361	A	94.7	Very high	92.1	Very high	6 Å²	6	59.1 Å²	59.1	5%	0.05	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-61.4	139.1	171.4	0	0	0	0	0	110.8	I353 L405 W407	I353-A361 HydrophobicContact CB-CB 4.45Å; I353-A361 HydrophobicContact CG2-CB 3.81Å; I353-A361 WeakPolarHBondContact O-CB 3.27Å; I353-A361 PolarHBondContact O-N 3.17Å; A361-L405 HydrophobicContact CB-CB 4.32Å; A361-W407 HydrophobicContact CB-CB 3.78Å; A361-W407 HydrophobicContact CB-CD2 4.06Å; A361-W407 HydrophobicContact CB-CE3 3.87Å; A361-W407 HydrophobicContact CB-CG 4.05Å
362	P	94.9	Very high	92.2	Very high	51 Å²	51	67 Å²	67	33%	0.331	36%	0.362	S	S	.	.	P	Polyproline II helix	trans	-68.1	151	179.6	28	-34.1	0	0	0	111.6	L367 L405 Y406	P362-L367 HydrophobicContact CB-CD2 4.14Å; P362-L367 HydrophobicContact CB-CG 4.34Å; P362-L367 HydrophobicContact CG-CD1 4.17Å; P362-L367 HydrophobicContact CG-CD2 3.72Å; P362-L367 HydrophobicContact CG-CG 4.12Å; P362-L405 WeakPolarHBondContact O-CA 3.38Å; P362-Y406 PolarHBondContact O-N 3.3Å; P362-Y406 VanDerWaalsContact O-N 3.08Å
363	Q	95.4	Very high	92.3	Very high	54 Å²	54	69 Å²	69	25%	0.252	37%	0.372	S	S	.	.	B	Isolated β-bridge	trans	-66.9	142.3	169.1	-66.2	-178	-8.5	0	0	109.7	K365 D366 F402 L404 L405	Q363-K365 HydrophobicContact CB-CD 4.44Å; Q363-K365 HydrophobicContact CB-CG 4.12Å; Q363-K365 PolarHBondContact O-N 3.4Å; Q363-K365 VanDerWaalsContact O-N 3.1Å; Q363-D366 PolarHBondContact O-N 3.22Å; Q363-F402 PolarHBondContact NE2-O 3.36Å; Q363-L404 WeakPolarHBondContact CA-O 3.48Å; Q363-L405 HydrophobicContact CB-CD2 4.49Å; Q363-L405 HydrophobicContact CG-CD2 3.82Å
364	L	94.8	Very high	92.5	Very high	0 Å²	0	68.9 Å²	68.9	0%	0	37%	0.37	C	S	.	.	G	3₁₀ helix	trans	-57.8	-30.9	-177.9	-174.3	64.8	0	0	0	111.6	D366 L367 L369 W374 A377 L404 Y406 F441 F442	L364-D366 VanDerWaalsContact C-N 3.28Å; L364-D366 PolarHBondContact O-N 2.84Å; L364-L367 PolarHBondContact O-N 2.94Å; L364-L369 HydrophobicContact CD1-CD1 4.2Å; L364-W374 HydrophobicContact CD1-CH2 4.21Å; L364-W374 HydrophobicContact CD1-CZ3 3.76Å; L364-W374 HydrophobicContact CD2-CZ3 4.45Å; L364-W374 HydrophobicContact CG-CH2 4.38Å; L364-W374 HydrophobicContact CG-CZ3 3.9Å; L364-W374 WeakPolarHBondContact O-CH2 3.43Å; L364-A377 HydrophobicContact CD1-CB 4.47Å; L364-L404 HydrophobicContact CB-CB 3.92Å; L364-L404 WeakPolarHBondContact CB-O 3.28Å; L364-L404 HydrophobicContact CD2-CB 4.09Å; L364-L404 HydrophobicContact CD2-CD1 3.86Å; L364-L404 PolarHBondContact N-O 3.37Å; L364-Y406 HydrophobicContact CD1-CD2 3.8Å; L364-Y406 HydrophobicContact CD1-CG 4.09Å; L364-F441 HydrophobicContact CD2-CE1 3.77Å; L364-F441 HydrophobicContact CD2-CZ 4.39Å; L364-F441 HydrophobicContact CG-CE1 3.96Å; L364-F441 HydrophobicContact CG-CZ 4.07Å; L364-F442 HydrophobicContact CD2-CZ 4Å
365	K	94	Very high	92.7	Very high	60 Å²	60	72.1 Å²	72.1	26%	0.261	38%	0.381	S	S	.	.	G	3₁₀ helix	trans	-59.2	-36.7	177.1	82.1	-172	-168.4	-161.1	0	113.4	Q363 L367 E401 F402 F441 K445	Q363-K365 HydrophobicContact CB-CD 4.44Å; Q363-K365 HydrophobicContact CB-CG 4.12Å; Q363-K365 PolarHBondContact O-N 3.4Å; Q363-K365 VanDerWaalsContact O-N 3.1Å; K365-L367 VanDerWaalsContact C-N 3.32Å; K365-E401 HydrophobicContact CB-CB 3.81Å; K365-E401 HydrophobicContact CB-CG 3.52Å; K365-E401 HydrophobicContact CD-CG 4.47Å; K365-F402 HydrophobicContact CD-CD1 3.46Å; K365-F402 VanDerWaalsContact CD-CD1 3.46Å; K365-F402 HydrophobicContact CD-CE1 3.48Å; K365-F402 VanDerWaalsContact CD-CE1 3.48Å; K365-F402 HydrophobicContact CD-CG 4.19Å; K365-F402 HydrophobicContact CD-CZ 4.21Å; K365-F402 VanDerWaalsContact NZ-CE1 3.32Å; K365-F441 HydrophobicContact CB-CE2 4.26Å; K365-K445 PolarHBondContact O-NZ 3.07Å
366	D	93.5	Very high	93.1	Very high	107 Å²	107	72.4 Å²	72.4	57%	0.572	39%	0.389	S	S	*	.	G	3₁₀ helix	trans	-85.3	-9.1	-170.2	-62.5	-40.1	0	0	0	112.3	Q363 L364	Q363-D366 PolarHBondContact O-N 3.22Å; L364-D366 VanDerWaalsContact C-N 3.28Å; L364-D366 PolarHBondContact O-N 2.84Å
367	L	93.5	Very high	93.6	Very high	37 Å²	37	68.1 Å²	68.1	19%	0.194	35%	0.354	C	S	.	.			trans	-84.3	151	-178.9	-70.2	176.3	0	0	0	113.5	P362 L364 K365 L369 W374 Y406 K445	P362-L367 HydrophobicContact CB-CD2 4.14Å; P362-L367 HydrophobicContact CB-CG 4.34Å; P362-L367 HydrophobicContact CG-CD1 4.17Å; P362-L367 HydrophobicContact CG-CD2 3.72Å; P362-L367 HydrophobicContact CG-CG 4.12Å; L364-L367 PolarHBondContact O-N 2.94Å; K365-L367 VanDerWaalsContact C-N 3.32Å; L367-L369 HydrophobicContact CB-CD2 4.36Å; L367-L369 HydrophobicContact CB-CG 4.17Å; L367-L369 HydrophobicContact CD1-CD2 4.39Å; L367-W374 WeakPolarHBondContact O-CZ2 3.26Å; L367-Y406 HydrophobicContact CD1-CD1 3.51Å; L367-Y406 HydrophobicContact CD1-CE1 4.5Å; L367-Y406 HydrophobicContact CD1-CG 3.66Å; L367-K445 PolarHBondContact O-NZ 3.39Å; L367-K445 VanDerWaalsContact O-NZ 3.15Å
368	T	93.8	Very high	94.3	Very high	141 Å²	141	63 Å²	63	87%	0.865	33%	0.325	S	S	*	.			trans	-113.4	100.4	166.5	-58.8	0	0	0	0	108
369	L	93.4	Very high	94.9	Very high	28 Å²	28	68.8 Å²	68.8	15%	0.147	34%	0.343	C	S	.	.			trans	-105.2	159.4	177.8	-55.7	176.1	0	0	0	110.9	L364 L367 E373 W374 Y406	L364-L369 HydrophobicContact CD1-CD1 4.2Å; L367-L369 HydrophobicContact CB-CD2 4.36Å; L367-L369 HydrophobicContact CB-CG 4.17Å; L367-L369 HydrophobicContact CD1-CD2 4.39Å; L369-E373 HydrophobicContact CB-CB 3.79Å; L369-E373 HydrophobicContact CD1-CB 4.33Å; L369-E373 HydrophobicContact CG-CB 4.46Å; L369-W374 HydrophobicContact CB-CD2 4.05Å; L369-W374 HydrophobicContact CB-CG 4.21Å; L369-W374 HydrophobicContact CB-CZ2 4.03Å; L369-W374 HydrophobicContact CD1-CD2 4.26Å; L369-W374 HydrophobicContact CD1-CE3 4.17Å; L369-W374 HydrophobicContact CD1-CH2 4.16Å; L369-W374 HydrophobicContact CD1-CZ2 4.26Å; L369-W374 HydrophobicContact CD1-CZ3 4.13Å; L369-W374 HydrophobicContact CG-CH2 4.37Å; L369-W374 HydrophobicContact CG-CZ2 4.06Å; L369-W374 PolarHBondContact O-NE1 2.93Å; L369-Y406 HydrophobicContact CD1-CD2 4.37Å; L369-Y406 HydrophobicContact CD1-CE1 4.33Å; L369-Y406 HydrophobicContact CD1-CE2 4.05Å; L369-Y406 HydrophobicContact CD2-CE1 4.03Å
370	T	95.2	Very high	95.3	Very high	77 Å²	77	64 Å²	64	47%	0.472	33%	0.328	S	S	.	.			trans	-66.9	159.6	169.3	66.8	0	0	0	0	110.9	K372 E373 W374	T370-K372 PolarHBondContact O-N 2.96Å; T370-E373 VanDerWaalsContact CB-OE2 3.31Å; T370-E373 WeakPolarHBondContact CB-OE2 3.21Å; T370-E373 WeakPolarHBondContact CG2-OE2 3.17Å; T370-E373 PolarHBondContact N-OE2 3.04Å; T370-E373 PolarHBondContact O-N 3.24Å; T370-E373 VanDerWaalsContact O-N 3.14Å; T370-E373 VanDerWaalsContact OG1-CG 3.3Å; T370-E373 WeakPolarHBondContact OG1-CG 3.47Å; T370-E373 PolarHBondContact OG1-N 2.88Å; T370-E373 PolarHBondContact OG1-OE2 3.12Å; T370-W374 VanDerWaalsContact O-CD1 3.27Å; T370-W374 PolarHBondContact O-N 2.94Å
371	H	94.4	Very high	95.6	Very high	122 Å²	122	61 Å²	61	57%	0.565	31%	0.308	S	S	*	.	H	α-helix	trans	-57.3	-33.8	177.5	-176.5	-77.7	0	0	0	112.8	H375	H371-H375 PolarHBondContact O-N 2.92Å; H371-H375 VanDerWaalsContact O-N 3.1Å
372	K	95.2	Very high	95.7	Very high	177 Å²	177	61.8 Å²	61.8	77%	0.77	31%	0.311	S	S	*	.	H	α-helix	trans	-68	-44.5	177.5	-175.7	-177.2	174.3	-170.8	0	111.3	T370 H375 A376	T370-K372 PolarHBondContact O-N 2.96Å; K372-H375 PolarHBondContact O-N 2.86Å; K372-A376 PolarHBondContact O-N 3.19Å
373	E	96.6	Very high	95.8	Very high	68 Å²	68	65 Å²	65	32%	0.318	32%	0.316	S	S	.	.	H	α-helix	trans	-66.8	-41.4	177.4	-72.1	158.6	164.8	0	0	111.5	L369 T370 H375 A376 A377	L369-E373 HydrophobicContact CB-CB 3.79Å; L369-E373 HydrophobicContact CD1-CB 4.33Å; L369-E373 HydrophobicContact CG-CB 4.46Å; T370-E373 VanDerWaalsContact CB-OE2 3.31Å; T370-E373 WeakPolarHBondContact CB-OE2 3.21Å; T370-E373 WeakPolarHBondContact CG2-OE2 3.17Å; T370-E373 PolarHBondContact N-OE2 3.04Å; T370-E373 PolarHBondContact O-N 3.24Å; T370-E373 VanDerWaalsContact O-N 3.14Å; T370-E373 VanDerWaalsContact OG1-CG 3.3Å; T370-E373 WeakPolarHBondContact OG1-CG 3.47Å; T370-E373 PolarHBondContact OG1-N 2.88Å; T370-E373 PolarHBondContact OG1-OE2 3.12Å; E373-H375 PolarHBondContact O-N 3.29Å; E373-A376 PolarHBondContact O-N 3.48Å; E373-A376 VanDerWaalsContact O-N 3.11Å; E373-A377 WeakPolarHBondContact O-CB 3.18Å; E373-A377 PolarHBondContact O-N 3.46Å
374	W	96.9	Very high	96	Very high	12 Å²	12	63.1 Å²	63.1	5%	0.045	31%	0.31	C	S	.	.	H	α-helix	trans	-57.2	-41.1	171.7	-78.9	120.5	0	0	0	112	L364 L367 L369 T370 Y378 F441 F442 K445 L447	L364-W374 HydrophobicContact CD1-CH2 4.21Å; L364-W374 HydrophobicContact CD1-CZ3 3.76Å; L364-W374 HydrophobicContact CD2-CZ3 4.45Å; L364-W374 HydrophobicContact CG-CH2 4.38Å; L364-W374 HydrophobicContact CG-CZ3 3.9Å; L364-W374 WeakPolarHBondContact O-CH2 3.43Å; L367-W374 WeakPolarHBondContact O-CZ2 3.26Å; L369-W374 HydrophobicContact CB-CD2 4.05Å; L369-W374 HydrophobicContact CB-CG 4.21Å; L369-W374 HydrophobicContact CB-CZ2 4.03Å; L369-W374 HydrophobicContact CD1-CD2 4.26Å; L369-W374 HydrophobicContact CD1-CE3 4.17Å; L369-W374 HydrophobicContact CD1-CH2 4.16Å; L369-W374 HydrophobicContact CD1-CZ2 4.26Å; L369-W374 HydrophobicContact CD1-CZ3 4.13Å; L369-W374 HydrophobicContact CG-CH2 4.37Å; L369-W374 HydrophobicContact CG-CZ2 4.06Å; L369-W374 PolarHBondContact O-NE1 2.93Å; T370-W374 VanDerWaalsContact O-CD1 3.27Å; T370-W374 PolarHBondContact O-N 2.94Å; W374-Y378 WeakPolarHBondContact O-CB 3.41Å; W374-Y378 PolarHBondContact O-N 2.8Å; W374-F441 HydrophobicContact CH2-CZ 4.04Å; W374-F441 AromaticContact CZ3-CE1 3.92Å; W374-F441 HydrophobicContact CZ3-CE1 3.92Å; W374-F441 AromaticContact CZ3-CZ 3.85Å; W374-F441 HydrophobicContact CZ3-CZ 3.85Å; W374-F442 HydrophobicContact CE3-CD1 4.15Å; W374-F442 AromaticContact CE3-CE1 3.9Å; W374-F442 HydrophobicContact CE3-CE1 3.9Å; W374-F442 HydrophobicContact CZ3-CE1 4.37Å; W374-K445 HydrophobicContact CD2-CB 3.83Å; W374-K445 HydrophobicContact CD2-CG 4.16Å; W374-K445 HydrophobicContact CE3-CB 4.15Å; W374-K445 HydrophobicContact CE3-CG 4.16Å; W374-K445 HydrophobicContact CG-CB 4.23Å; W374-K445 HydrophobicContact CH2-CD 3.82Å; W374-K445 HydrophobicContact CH2-CG 3.92Å; W374-K445 HydrophobicContact CZ2-CB 4.33Å; W374-K445 HydrophobicContact CZ2-CD 3.5Å; W374-K445 VanDerWaalsContact CZ2-CD 3.5Å; W374-K445 HydrophobicContact CZ2-CG 3.89Å; W374-K445 HydrophobicContact CZ3-CD 4.45Å; W374-K445 HydrophobicContact CZ3-CG 4.04Å; W374-L447 HydrophobicContact CB-CD1 4.32Å
375	H	96.3	Very high	96.1	Very high	81 Å²	81	63.4 Å²	63.4	38%	0.375	31%	0.311	S	S	.	.	H	α-helix	trans	-66.4	-40.2	177	-163.7	1.6	0	0	0	112	H371 K372 E373 Y378 R379 L447	H371-H375 PolarHBondContact O-N 2.92Å; H371-H375 VanDerWaalsContact O-N 3.1Å; K372-H375 PolarHBondContact O-N 2.86Å; E373-H375 PolarHBondContact O-N 3.29Å; H375-Y378 PolarHBondContact O-N 3.32Å; H375-R379 WeakPolarHBondContact O-CG 3.36Å; H375-R379 PolarHBondContact O-N 3.42Å; H375-R379 VanDerWaalsContact O-N 3.09Å; H375-L447 HydrophobicContact CB-CD2 4.39Å
376	A	96.8	Very high	96.2	Very high	46 Å²	46	62.4 Å²	62.4	38%	0.38	31%	0.308	S	S	.	.	H	α-helix	trans	-64.3	-46.3	175.8	0	0	0	0	0	111.6	K372 E373 Y378 R379 Q380	K372-A376 PolarHBondContact O-N 3.19Å; E373-A376 PolarHBondContact O-N 3.48Å; E373-A376 VanDerWaalsContact O-N 3.11Å; A376-Y378 VanDerWaalsContact C-N 3.34Å; A376-Y378 PolarHBondContact O-N 3.17Å; A376-R379 PolarHBondContact O-N 3.04Å; A376-R379 VanDerWaalsContact O-N 3.16Å; A376-Q380 WeakPolarHBondContact O-CG 3.22Å; A376-Q380 PolarHBondContact O-N 3.19Å
377	A	97.4	Very high	96.4	Very high	0 Å²	0	58 Å²	58	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-58.7	-44.5	175.5	0	0	0	0	0	111.5	L364 E373 R379 Q380 V381 Y406 V411 F442	L364-A377 HydrophobicContact CD1-CB 4.47Å; E373-A377 WeakPolarHBondContact O-CB 3.18Å; E373-A377 PolarHBondContact O-N 3.46Å; A377-R379 VanDerWaalsContact C-N 3.34Å; A377-R379 PolarHBondContact O-N 3.27Å; A377-Q380 WeakPolarHBondContact O-CB 2.83Å; A377-Q380 PolarHBondContact O-N 3.46Å; A377-V381 WeakPolarHBondContact O-CG2 3.4Å; A377-V381 PolarHBondContact O-N 2.99Å; A377-Y406 HydrophobicContact CB-CE2 4.24Å; A377-V411 HydrophobicContact CB-CG2 3.79Å; A377-F442 HydrophobicContact CB-CE1 4.15Å; A377-F442 HydrophobicContact CB-CZ 4.43Å
378	Y	97.7	Very high	96.6	Very high	15 Å²	15	56.5 Å²	56.5	6%	0.059	28%	0.276	C	S	.	.	H	α-helix	trans	-58.7	-44	175	171.5	-103	0	0	0	112.2	W374 H375 A376 Q380 V381 E382 I438 F442 L447 I450	W374-Y378 WeakPolarHBondContact O-CB 3.41Å; W374-Y378 PolarHBondContact O-N 2.8Å; H375-Y378 PolarHBondContact O-N 3.32Å; A376-Y378 VanDerWaalsContact C-N 3.34Å; A376-Y378 PolarHBondContact O-N 3.17Å; Y378-Q380 VanDerWaalsContact C-N 3.28Å; Y378-Q380 PolarHBondContact O-N 3.03Å; Y378-V381 PolarHBondContact O-N 3.46Å; Y378-E382 HydrophobicContact CE1-CB 4.38Å; Y378-E382 VanDerWaalsContact CE1-OE2 3.24Å; Y378-E382 WeakPolarHBondContact CE1-OE2 3.19Å; Y378-E382 VanDerWaalsContact CZ-OE2 3.28Å; Y378-E382 WeakPolarHBondContact O-CB 3.22Å; Y378-E382 PolarHBondContact O-N 3.48Å; Y378-E382 PolarHBondContact OH-OE2 2.91Å; Y378-I438 HydrophobicContact CD2-CG2 4.48Å; Y378-I438 HydrophobicContact CE2-CG2 4.34Å; Y378-F442 HydrophobicContact CD2-CB 4.35Å; Y378-F442 HydrophobicContact CD2-CD1 4.44Å; Y378-F442 AromaticContact CD2-CD2 3.74Å; Y378-F442 HydrophobicContact CD2-CD2 3.74Å; Y378-F442 HydrophobicContact CD2-CE2 4.09Å; Y378-F442 AromaticContact CD2-CG 3.93Å; Y378-F442 HydrophobicContact CD2-CG 3.93Å; Y378-F442 HydrophobicContact CG-CG 4.43Å; Y378-L447 HydrophobicContact CG-CD1 4.38Å; Y378-I450 HydrophobicContact CD1-CD1 3.9Å; Y378-I450 HydrophobicContact CD1-CG1 4.39Å; Y378-I450 HydrophobicContact CD2-CD1 3.4Å; Y378-I450 VanDerWaalsContact CD2-CD1 3.4Å; Y378-I450 HydrophobicContact CD2-CG1 4.3Å; Y378-I450 HydrophobicContact CE1-CD1 4.03Å; Y378-I450 HydrophobicContact CE1-CG1 4.07Å; Y378-I450 HydrophobicContact CE2-CB 4.43Å; Y378-I450 HydrophobicContact CE2-CD1 3.51Å; Y378-I450 HydrophobicContact CE2-CG1 3.94Å; Y378-I450 HydrophobicContact CE2-CG2 3.61Å; Y378-I450 HydrophobicContact CG-CD1 3.6Å
379	R	97.2	Very high	96.7	Very high	135 Å²	135	51 Å²	51	51%	0.509	24%	0.24	S	C	.	.	H	α-helix	trans	-62.9	-36.2	177.9	-72.3	-63	-168.3	-179.5	3.5	112.5	H375 A376 A377 E382 R383	H375-R379 WeakPolarHBondContact O-CG 3.36Å; H375-R379 PolarHBondContact O-N 3.42Å; H375-R379 VanDerWaalsContact O-N 3.09Å; A376-R379 PolarHBondContact O-N 3.04Å; A376-R379 VanDerWaalsContact O-N 3.16Å; A377-R379 VanDerWaalsContact C-N 3.34Å; A377-R379 PolarHBondContact O-N 3.27Å; R379-E382 IonicContact CZ-OE1 3.29Å; R379-E382 IonicContact NH1-OE1 3.18Å; R379-E382 PolarHBondContact NH1-OE1 3.15Å; R379-E382 IonicContact NH1-OE2 3.9Å; R379-R383 VanDerWaalsContact O-CB 3.32Å; R379-R383 WeakPolarHBondContact O-CB 3.41Å; R379-R383 PolarHBondContact O-N 3.2Å
380	Q	97.8	Very high	96.7	Very high	60 Å²	60	54.7 Å²	54.7	28%	0.28	26%	0.256	S	S	.	.	H	α-helix	trans	-66.8	-44	174.8	-66.6	-178.5	43.4	0	0	111.6	A376 A377 Y378 R383 A384 D409 V411	A376-Q380 WeakPolarHBondContact O-CG 3.22Å; A376-Q380 PolarHBondContact O-N 3.19Å; A377-Q380 WeakPolarHBondContact O-CB 2.83Å; A377-Q380 PolarHBondContact O-N 3.46Å; Y378-Q380 VanDerWaalsContact C-N 3.28Å; Y378-Q380 PolarHBondContact O-N 3.03Å; Q380-R383 PolarHBondContact O-N 3.39Å; Q380-A384 WeakPolarHBondContact O-CB 3.43Å; Q380-A384 PolarHBondContact O-N 3.17Å; Q380-D409 PolarHBondContact NE2-O 3.47Å; Q380-V411 HydrophobicContact CB-CB 4.26Å; Q380-V411 HydrophobicContact CB-CG2 4.2Å
381	V	98	Very high	96.6	Very high	3 Å²	3	56.9 Å²	56.9	2%	0.018	26%	0.259	C	S	.	.	H	α-helix	trans	-63.4	-47.4	176.1	175.8	0	0	0	0	111.4	A377 Y378 R383 A384 M385 L404 V411 I438 F442	A377-V381 WeakPolarHBondContact O-CG2 3.4Å; A377-V381 PolarHBondContact O-N 2.99Å; Y378-V381 PolarHBondContact O-N 3.46Å; V381-R383 VanDerWaalsContact C-N 3.3Å; V381-R383 PolarHBondContact O-N 3.17Å; V381-A384 PolarHBondContact O-N 2.87Å; V381-A384 VanDerWaalsContact O-N 3.15Å; V381-M385 HydrophobicContact CG1-CG 4.38Å; V381-M385 HydrophobicContact CG1-SD 4.14Å; V381-M385 WeakPolarHBondContact O-CG 3.37Å; V381-M385 PolarHBondContact O-N 3.44Å; V381-L404 HydrophobicContact CG1-CD1 4.42Å; V381-L404 HydrophobicContact CG2-CD1 3.78Å; V381-L404 HydrophobicContact CG2-CD2 4.36Å; V381-V411 HydrophobicContact CG2-CB 4.38Å; V381-V411 HydrophobicContact CG2-CG1 3.76Å; V381-V411 HydrophobicContact CG2-CG2 4.34Å; V381-I438 HydrophobicContact CG1-CD1 3.95Å; V381-I438 HydrophobicContact CG1-CG1 4.1Å; V381-I438 HydrophobicContact CG1-CG2 3.91Å; V381-F442 HydrophobicContact CB-CE2 4.3Å; V381-F442 HydrophobicContact CG1-CE2 4.46Å; V381-F442 HydrophobicContact CG2-CE2 4.11Å; V381-F442 HydrophobicContact CG2-CZ 4Å
382	E	97.6	Very high	96.6	Very high	23 Å²	23	51.1 Å²	51.1	11%	0.107	23%	0.232	C	C	.	.	H	α-helix	trans	-54.7	-47	176.2	177	178.3	86.6	0	0	111	Y378 R379 M385 E386 L455 L458	Y378-E382 HydrophobicContact CE1-CB 4.38Å; Y378-E382 VanDerWaalsContact CE1-OE2 3.24Å; Y378-E382 WeakPolarHBondContact CE1-OE2 3.19Å; Y378-E382 VanDerWaalsContact CZ-OE2 3.28Å; Y378-E382 WeakPolarHBondContact O-CB 3.22Å; Y378-E382 PolarHBondContact O-N 3.48Å; Y378-E382 PolarHBondContact OH-OE2 2.91Å; R379-E382 IonicContact CZ-OE1 3.29Å; R379-E382 IonicContact NH1-OE1 3.18Å; R379-E382 PolarHBondContact NH1-OE1 3.15Å; R379-E382 IonicContact NH1-OE2 3.9Å; E382-M385 PolarHBondContact O-N 2.97Å; E382-E386 WeakPolarHBondContact O-CB 3.44Å; E382-E386 PolarHBondContact O-N 3.33Å; E382-L455 HydrophobicContact CB-CD1 4.21Å; E382-L455 HydrophobicContact CG-CD1 3.77Å; E382-L458 VanDerWaalsContact CD-CD2 3.48Å; E382-L458 HydrophobicContact CG-CD2 3.61Å
383	R	97.6	Very high	96.5	Very high	118 Å²	118	44.7 Å²	44.7	45%	0.445	21%	0.205	S	C	.	.	H	α-helix	trans	-67.3	-39	177.9	-175.2	56	173.9	175.8	1.1	112.6	R379 Q380 V381 E386 I387	R379-R383 VanDerWaalsContact O-CB 3.32Å; R379-R383 WeakPolarHBondContact O-CB 3.41Å; R379-R383 PolarHBondContact O-N 3.2Å; Q380-R383 PolarHBondContact O-N 3.39Å; V381-R383 VanDerWaalsContact C-N 3.3Å; V381-R383 PolarHBondContact O-N 3.17Å; R383-E386 WeakPolarHBondContact CD-OE2 3.28Å; R383-E386 IonicContact CZ-OE2 3.64Å; R383-E386 IonicContact NE-OE2 2.73Å; R383-E386 VanDerWaalsContact NH1-CD 3.29Å; R383-E386 IonicContact NH1-OE1 3.98Å; R383-E386 IonicContact NH1-OE2 3.65Å; R383-E386 PolarHBondContact NH1-OE2 3.26Å; R383-E386 PolarHBondContact O-N 2.9Å; R383-I387 HydrophobicContact CG-CD1 3.92Å; R383-I387 HydrophobicContact CG-CG1 4.47Å; R383-I387 VanDerWaalsContact O-CG1 3.28Å; R383-I387 WeakPolarHBondContact O-CG1 3.38Å; R383-I387 PolarHBondContact O-N 3.04Å
384	A	97.9	Very high	96.4	Very high	15 Å²	15	41.7 Å²	41.7	12%	0.124	19%	0.191	C	C	.	.	H	α-helix	trans	-63	-45.3	176.4	0	0	0	0	0	111.1	I335 Q380 V381 E386 I387 M388 V413	I335-A384 HydrophobicContact CG2-CB 4.21Å; Q380-A384 WeakPolarHBondContact O-CB 3.43Å; Q380-A384 PolarHBondContact O-N 3.17Å; V381-A384 PolarHBondContact O-N 2.87Å; V381-A384 VanDerWaalsContact O-N 3.15Å; A384-E386 PolarHBondContact O-N 3.49Å; A384-I387 PolarHBondContact O-N 3.44Å; A384-M388 VanDerWaalsContact O-CB 3.23Å; A384-M388 WeakPolarHBondContact O-CB 3.34Å; A384-M388 PolarHBondContact O-N 3.33Å; A384-V413 HydrophobicContact CB-CG2 4.26Å
385	M	98.1	Very high	96.4	Very high	6 Å²	6	41.2 Å²	41.2	3%	0.03	19%	0.189	C	C	.	.	H	α-helix	trans	-62.6	-41.2	176.1	-67.4	179.1	74.9	0	0	112.1	V381 E382 M388 Y389 L399 L431 D434 I438 L455 I459	V381-M385 HydrophobicContact CG1-CG 4.38Å; V381-M385 HydrophobicContact CG1-SD 4.14Å; V381-M385 WeakPolarHBondContact O-CG 3.37Å; V381-M385 PolarHBondContact O-N 3.44Å; E382-M385 PolarHBondContact O-N 2.97Å; M385-M388 PolarHBondContact O-N 3.45Å; M385-Y389 PolarHBondContact O-N 3.45Å; M385-L399 HydrophobicContact CE-CD2 4.12Å; M385-L399 HydrophobicContact CG-CD2 3.6Å; M385-L399 HydrophobicContact SD-CD2 3.72Å; M385-L431 HydrophobicContact CE-CD1 4.25Å; M385-D434 HydrophobicContact CE-CB 3.98Å; M385-I438 HydrophobicContact SD-CG1 4.01Å; M385-L455 HydrophobicContact CE-CD2 4.33Å; M385-L455 HydrophobicContact SD-CD2 4Å; M385-I459 HydrophobicContact CB-CD1 3.65Å; M385-I459 HydrophobicContact CB-CG1 4.33Å; M385-I459 HydrophobicContact CE-CD1 3.84Å; M385-I459 HydrophobicContact SD-CD1 4.34Å
386	E	96.7	Very high	96.4	Very high	39 Å²	39	37.4 Å²	37.4	18%	0.182	17%	0.172	C	C	.	.	H	α-helix	trans	-61.6	-49	175.7	-172.9	-170.3	-170.2	0	0	111.7	E382 R383 A384 M388 Y389 Q390	E382-E386 WeakPolarHBondContact O-CB 3.44Å; E382-E386 PolarHBondContact O-N 3.33Å; R383-E386 WeakPolarHBondContact CD-OE2 3.28Å; R383-E386 IonicContact CZ-OE2 3.64Å; R383-E386 IonicContact NE-OE2 2.73Å; R383-E386 VanDerWaalsContact NH1-CD 3.29Å; R383-E386 IonicContact NH1-OE1 3.98Å; R383-E386 IonicContact NH1-OE2 3.65Å; R383-E386 PolarHBondContact NH1-OE2 3.26Å; R383-E386 PolarHBondContact O-N 2.9Å; A384-E386 PolarHBondContact O-N 3.49Å; E386-M388 VanDerWaalsContact C-N 3.33Å; E386-M388 PolarHBondContact O-N 2.91Å; E386-Y389 PolarHBondContact O-N 2.92Å; E386-Q390 HydrophobicContact CG-CG 4.43Å; E386-Q390 VanDerWaalsContact O-CB 3.31Å; E386-Q390 WeakPolarHBondContact O-CB 3.5Å; E386-Q390 WeakPolarHBondContact O-CG 3.45Å; E386-Q390 PolarHBondContact O-N 2.82Å
387	I	96.7	Very high	96.3	Very high	16 Å²	16	35.2 Å²	35.2	8%	0.082	15%	0.154	C	C	.	.	H	α-helix	trans	-63.8	-41.1	178.3	-68.1	170.6	0	0	0	110.7	A333 I335 R383 A384 Y389 K391 C392	A333-I387 HydrophobicContact CB-CG2 3.66Å; I335-I387 HydrophobicContact CD1-CB 4.18Å; I335-I387 HydrophobicContact CD1-CG2 3.8Å; I335-I387 HydrophobicContact CG1-CB 4.03Å; I335-I387 HydrophobicContact CG1-CG2 3.57Å; R383-I387 HydrophobicContact CG-CD1 3.92Å; R383-I387 HydrophobicContact CG-CG1 4.47Å; R383-I387 VanDerWaalsContact O-CG1 3.28Å; R383-I387 WeakPolarHBondContact O-CG1 3.38Å; R383-I387 PolarHBondContact O-N 3.04Å; A384-I387 PolarHBondContact O-N 3.44Å; I387-Y389 VanDerWaalsContact C-N 3.34Å; I387-Y389 PolarHBondContact O-N 3.5Å; I387-K391 HydrophobicContact CG2-CB 4.13Å; I387-K391 HydrophobicContact CG2-CD 4.11Å; I387-K391 HydrophobicContact CG2-CG 4.32Å; I387-K391 WeakPolarHBondContact O-CA 3.44Å; I387-K391 WeakPolarHBondContact O-CB 3.26Å; I387-K391 PolarHBondContact O-N 3.39Å; I387-C392 PolarHBondContact O-N 3.26Å
388	M	96.7	Very high	96.2	Very high	5 Å²	5	38 Å²	38	3%	0.025	17%	0.168	C	C	.	.	H	α-helix	trans	-58.3	-47.5	179.1	-168.5	-173.2	-57.6	0	0	111.1	F330 I335 A384 M385 E386 C392 E393 L394 H396 V413	F330-M388 HydrophobicContact CE1-CG 3.74Å; F330-M388 HydrophobicContact CE1-SD 4.44Å; F330-M388 HydrophobicContact CE2-CE 3.61Å; F330-M388 HydrophobicContact CE2-CG 4.46Å; F330-M388 HydrophobicContact CE2-SD 4.36Å; F330-M388 HydrophobicContact CZ-CE 3.53Å; F330-M388 HydrophobicContact CZ-CG 3.54Å; F330-M388 HydrophobicContact CZ-SD 3.67Å; I335-M388 HydrophobicContact CD1-CB 4.01Å; A384-M388 VanDerWaalsContact O-CB 3.23Å; A384-M388 WeakPolarHBondContact O-CB 3.34Å; A384-M388 PolarHBondContact O-N 3.33Å; M385-M388 PolarHBondContact O-N 3.45Å; E386-M388 VanDerWaalsContact C-N 3.33Å; E386-M388 PolarHBondContact O-N 2.91Å; M388-C392 CarbonylContact O-C 3.47Å; M388-C392 VanDerWaalsContact O-C 3.24Å; M388-C392 WeakPolarHBondContact O-CA 3.4Å; M388-C392 VanDerWaalsContact O-CB 3.24Å; M388-C392 WeakPolarHBondContact O-CB 3.46Å; M388-C392 PolarHBondContact O-N 3.45Å; M388-E393 PolarHBondContact O-N 3.47Å; M388-E393 VanDerWaalsContact O-N 3.09Å; M388-L394 CarbonylContact C-O 3.55Å; M388-L394 HydrophobicContact CG-CB 4.08Å; M388-L394 WeakPolarHBondContact CG-O 3.08Å; M388-L394 PolarHBondContact O-N 3.43Å; M388-L394 VanDerWaalsContact O-O 3.07Å; M388-H396 HydrophobicContact CE-CB 4.12Å; M388-H396 HydrophobicContact SD-CB 3.68Å; M388-H396 PolarHBondContact SD-N 3.31Å; M388-V413 HydrophobicContact CE-CG1 4.34Å
389	Y	96	Very high	96.1	Very high	26 Å²	26	37.4 Å²	37.4	10%	0.102	17%	0.167	C	C	.	.	H	α-helix	trans	-71.7	-48.8	179.1	-172.6	-96.3	0	0	0	112.5	M385 E386 I387 E393 L394 V395 V422 L431 I459 T460	M385-Y389 PolarHBondContact O-N 3.45Å; E386-Y389 PolarHBondContact O-N 2.92Å; I387-Y389 VanDerWaalsContact C-N 3.34Å; I387-Y389 PolarHBondContact O-N 3.5Å; Y389-E393 WeakPolarHBondContact O-CA 3.49Å; Y389-E393 PolarHBondContact O-N 3.01Å; Y389-L394 WeakPolarHBondContact CA-O 3.46Å; Y389-L394 PolarHBondContact N-O 3.29Å; Y389-V395 HydrophobicContact CD2-CG2 3.81Å; Y389-V395 HydrophobicContact CE2-CG2 4.23Å; Y389-V422 HydrophobicContact CD2-CG1 3.74Å; Y389-V422 HydrophobicContact CE2-CB 4.49Å; Y389-V422 HydrophobicContact CE2-CG1 3.65Å; Y389-V422 HydrophobicContact CG-CG1 4.43Å; Y389-L431 HydrophobicContact CD2-CD2 3.74Å; Y389-L431 HydrophobicContact CE2-CD2 3.82Å; Y389-L431 HydrophobicContact CG-CD2 4.42Å; Y389-I459 VanDerWaalsContact CB-CG2 3.41Å; Y389-I459 HydrophobicContact CD1-CG2 3.93Å; Y389-I459 HydrophobicContact CD2-CG2 4.35Å; Y389-I459 HydrophobicContact CG-CG2 3.64Å; Y389-T460 HydrophobicContact CE1-CG2 4.18Å; Y389-T460 HydrophobicContact CE2-CG2 4.4Å
390	Q	93.7	Very high	96	Very high	104 Å²	104	31.7 Å²	31.7	49%	0.486	15%	0.147	S	C	.	.	H	α-helix	trans	-85.1	-34.5	-168.1	-64.4	179.4	7.4	0	0	114.2	E386 I459	E386-Q390 HydrophobicContact CG-CG 4.43Å; E386-Q390 VanDerWaalsContact O-CB 3.31Å; E386-Q390 WeakPolarHBondContact O-CB 3.5Å; E386-Q390 WeakPolarHBondContact O-CG 3.45Å; E386-Q390 PolarHBondContact O-N 2.82Å; Q390-I459 PolarHBondContact NE2-O 2.91Å
391	K	94.1	Very high	95.9	Very high	124 Å²	124	30 Å²	30	54%	0.539	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.4	-42.3	-178.9	-60.2	-165.6	-173.9	175.2	0	112.1	A333 I387 E393	A333-K391 HydrophobicContact CB-CB 4.42Å; I387-K391 HydrophobicContact CG2-CB 4.13Å; I387-K391 HydrophobicContact CG2-CD 4.11Å; I387-K391 HydrophobicContact CG2-CG 4.32Å; I387-K391 WeakPolarHBondContact O-CA 3.44Å; I387-K391 WeakPolarHBondContact O-CB 3.26Å; I387-K391 PolarHBondContact O-N 3.39Å; K391-E393 VanDerWaalsContact C-N 3.33Å
392	C	93.5	Very high	95.7	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	16%	0.16	C	C	.	.	S	Bend	trans	-86.8	-2.9	179.3	-50.9	0	0	0	0	112.9	R329 F330 A333 I387 M388 L394	R329-C392 WeakPolarHBondContact CD-O 3.27Å; R329-C392 HydrophobicContact CG-CB 4Å; R329-C392 PolarHBondContact NE-O 3.46Å; R329-C392 PolarHBondContact NH1-O 3.02Å; R329-C392 PolarHBondContact NH2-O 2.96Å; F330-C392 HydrophobicContact CD1-CB 4.24Å; F330-C392 HydrophobicContact CE1-CB 4.21Å; A333-C392 WeakPolarHBondContact CB-SG 3.25Å; I387-C392 PolarHBondContact O-N 3.26Å; M388-C392 CarbonylContact O-C 3.47Å; M388-C392 VanDerWaalsContact O-C 3.24Å; M388-C392 WeakPolarHBondContact O-CA 3.4Å; M388-C392 VanDerWaalsContact O-CB 3.24Å; M388-C392 WeakPolarHBondContact O-CB 3.46Å; M388-C392 PolarHBondContact O-N 3.45Å; C392-L394 HydrophobicContact CB-CB 4.37Å; C392-L394 HydrophobicContact CB-CD1 4.28Å; C392-L394 WeakPolarHBondContact O-CG 3.33Å; C392-L394 PolarHBondContact O-N 3.31Å
393	E	94.4	Very high	95.6	Very high	42 Å²	42	34.3 Å²	34.3	20%	0.196	16%	0.158	C	C	.	.			trans	46.6	35.7	-179	-58.4	177.1	132.1	0	0	112.9	R329 M388 Y389 K391 H421 V422	R329-E393 IonicContact CZ-OE2 2.75Å; R329-E393 IonicContact NH1-OE2 2.76Å; R329-E393 IonicContact NH2-OE2 2.85Å; R329-E393 PolarHBondContact NH2-OE2 2.82Å; M388-E393 PolarHBondContact O-N 3.47Å; M388-E393 VanDerWaalsContact O-N 3.09Å; Y389-E393 WeakPolarHBondContact O-CA 3.49Å; Y389-E393 PolarHBondContact O-N 3.01Å; K391-E393 VanDerWaalsContact C-N 3.33Å; E393-H421 WeakPolarHBondContact O-CA 3.48Å; E393-H421 PolarHBondContact O-CD2 3.19Å; E393-H421 IonicContact OE2-NE2 3.18Å; E393-V422 VanDerWaalsContact C-CG1 3.48Å; E393-V422 HydrophobicContact CB-CG2 3.83Å; E393-V422 HydrophobicContact CG-CG2 4.43Å; E393-V422 PolarHBondContact O-N 3.16Å
394	L	94.6	Very high	95.6	Very high	5 Å²	5	28.7 Å²	28.7	3%	0.026	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	151.8	-175.7	-76.4	166.6	0	0	0	110.4	H326 F330 M388 Y389 C392 A419 V420	H326-L394 HydrophobicContact CB-CD1 4.33Å; F330-L394 HydrophobicContact CE1-CB 4.44Å; F330-L394 HydrophobicContact CE1-CD1 3.84Å; M388-L394 CarbonylContact C-O 3.55Å; M388-L394 HydrophobicContact CG-CB 4.08Å; M388-L394 WeakPolarHBondContact CG-O 3.08Å; M388-L394 PolarHBondContact O-N 3.43Å; M388-L394 VanDerWaalsContact O-O 3.07Å; Y389-L394 WeakPolarHBondContact CA-O 3.46Å; Y389-L394 PolarHBondContact N-O 3.29Å; C392-L394 HydrophobicContact CB-CB 4.37Å; C392-L394 HydrophobicContact CB-CD1 4.28Å; C392-L394 WeakPolarHBondContact O-CG 3.33Å; C392-L394 PolarHBondContact O-N 3.31Å; L394-A419 HydrophobicContact CD2-CB 4.49Å; L394-V420 CarbonylContact C-O 3.6Å; L394-V420 WeakPolarHBondContact CA-O 3.27Å
395	V	96.1	Very high	95.6	Very high	2 Å²	2	29 Å²	29	1%	0.012	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	129.7	166.2	173.7	0	0	0	0	107	Y389 A397 A419 V420 C427 F430 L431	Y389-V395 HydrophobicContact CD2-CG2 3.81Å; Y389-V395 HydrophobicContact CE2-CG2 4.23Å; V395-A397 HydrophobicContact CG1-CB 4.48Å; V395-A397 PolarHBondContact O-N 2.89Å; V395-A419 CarbonylContact O-C 3.24Å; V395-A419 WeakPolarHBondContact O-CA 3.3Å; V395-A419 WeakPolarHBondContact O-CB 3.4Å; V395-V420 HydrophobicContact CB-CG2 4.07Å; V395-V420 PolarHBondContact N-O 2.83Å; V395-V420 PolarHBondContact O-N 3.44Å; V395-C427 WeakPolarHBondContact CG2-SG 3.48Å; V395-F430 HydrophobicContact CG1-CB 4Å; V395-L431 HydrophobicContact CG1-CB 3.85Å; V395-L431 HydrophobicContact CG1-CD1 4.32Å; V395-L431 HydrophobicContact CG2-CB 4.06Å; V395-L431 HydrophobicContact CG2-CD1 4.42Å
396	H	96.5	Very high	95.6	Very high	2 Å²	2	29.7 Å²	29.7	1%	0.009	14%	0.139	C	C	.	.			trans	-57.9	-37.2	-177.4	-168	-59.2	0	0	0	111.8	M388 D398 L399 I414 D415 A419	M388-H396 HydrophobicContact CE-CB 4.12Å; M388-H396 HydrophobicContact SD-CB 3.68Å; M388-H396 PolarHBondContact SD-N 3.31Å; H396-D398 PolarHBondContact ND1-N 3.26Å; H396-D398 PolarHBondContact O-N 2.97Å; H396-L399 HydrophobicContact CB-CB 3.9Å; H396-I414 PolarHBondContact NE2-O 3.47Å; H396-I414 VanDerWaalsContact NE2-O 3.1Å; H396-D415 PolarHBondContact CE1-O 2.97Å; H396-A419 WeakPolarHBondContact O-CA 3.21Å
397	A	94.6	Very high	95.5	Very high	0 Å²	0	31 Å²	31	0%	0	14%	0.143	C	C	.	.	S	Bend	trans	62.8	6.2	177.2	0	0	0	0	0	115.1	V395 V420 F430 R433 D434	V395-A397 HydrophobicContact CG1-CB 4.48Å; V395-A397 PolarHBondContact O-N 2.89Å; A397-V420 HydrophobicContact CB-CG1 4.4Å; A397-V420 HydrophobicContact CB-CG2 4.24Å; A397-F430 HydrophobicContact CB-CB 3.74Å; A397-F430 HydrophobicContact CB-CD1 4.26Å; A397-F430 HydrophobicContact CB-CD2 4.18Å; A397-F430 HydrophobicContact CB-CG 3.82Å; A397-R433 PolarHBondContact O-NH2 3.43Å; A397-D434 WeakPolarHBondContact CA-OD2 3.48Å; A397-D434 PolarHBondContact N-OD2 2.72Å
398	D	94.4	Very high	95.3	Very high	57 Å²	57	37 Å²	37	31%	0.305	17%	0.17	S	C	.	.	S	Bend	trans	-151.9	30.1	170.7	-160.1	41.8	0	0	0	110.2	H396 S400 N403 D434	H396-D398 PolarHBondContact ND1-N 3.26Å; H396-D398 PolarHBondContact O-N 2.97Å; D398-S400 PolarHBondContact O-N 2.88Å; D398-N403 PolarHBondContact O-ND2 2.88Å; D398-D434 PolarHBondContact N-OD1 3.06Å
399	L	96.8	Very high	95.3	Very high	4 Å²	4	41.8 Å²	41.8	2%	0.021	20%	0.196	C	C	.	.			trans	-73.9	126.4	-174.5	-169.8	66.5	0	0	0	109.9	M385 H396 L404 V413 D434 N437 I438	M385-L399 HydrophobicContact CE-CD2 4.12Å; M385-L399 HydrophobicContact CG-CD2 3.6Å; M385-L399 HydrophobicContact SD-CD2 3.72Å; H396-L399 HydrophobicContact CB-CB 3.9Å; L399-L404 HydrophobicContact CD1-CD2 3.98Å; L399-L404 HydrophobicContact CD1-CG 4.39Å; L399-V413 HydrophobicContact CD1-CG1 4.38Å; L399-D434 HydrophobicContact CB-CB 3.93Å; L399-D434 PolarHBondContact N-OD1 3.22Å; L399-N437 WeakPolarHBondContact O-CB 3.48Å; L399-N437 PolarHBondContact O-ND2 3.44Å; L399-I438 HydrophobicContact CD2-CD1 4.15Å; L399-I438 HydrophobicContact CD2-CG1 3.94Å; L399-I438 HydrophobicContact CG-CD1 4.05Å; L399-I438 HydrophobicContact CG-CG1 4.23Å
400	S	95.5	Very high	95.3	Very high	15 Å²	15	45 Å²	45	11%	0.105	21%	0.21	C	C	.	.	S	Bend	trans	-154.9	177	179.2	66.3	0	0	0	0	110.3	D398 F402 N403	D398-S400 PolarHBondContact O-N 2.88Å; S400-F402 PolarHBondContact O-N 3.21Å; S400-F402 VanDerWaalsContact O-N 3.12Å; S400-F402 PolarHBondContact OG-N 3.02Å; S400-N403 PolarHBondContact O-N 3.11Å; S400-N403 VanDerWaalsContact O-N 3.14Å
401	E	94.4	Very high	95.5	Very high	25 Å²	25	40.4 Å²	40.4	12%	0.117	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-15	177.3	68.6	-92.9	-140.9	0	0	114.7	K365 F441 R444	K365-E401 HydrophobicContact CB-CB 3.81Å; K365-E401 HydrophobicContact CB-CG 3.52Å; K365-E401 HydrophobicContact CD-CG 4.47Å; E401-F441 HydrophobicContact CB-CB 4.38Å; E401-F441 HydrophobicContact CB-CD1 4.01Å; E401-F441 HydrophobicContact CB-CD2 3.34Å; E401-F441 HydrophobicContact CB-CE1 4.1Å; E401-F441 HydrophobicContact CB-CE2 3.44Å; E401-F441 VanDerWaalsContact CB-CE2 3.44Å; E401-F441 HydrophobicContact CB-CG 3.63Å; E401-F441 HydrophobicContact CB-CZ 3.83Å; E401-F441 HydrophobicContact CG-CD2 3.74Å; E401-F441 HydrophobicContact CG-CE2 3.95Å; E401-F441 HydrophobicContact CG-CG 4.39Å; E401-R444 IonicContact OE1-CZ 3.61Å; E401-R444 IonicContact OE1-NH1 3.93Å; E401-R444 IonicContact OE1-NH2 3.62Å; E401-R444 PolarHBondContact OE1-NH2 2.97Å; E401-R444 IonicContact OE2-NH2 3.77Å
402	F	94	Very high	95.7	Very high	100 Å²	100	36.2 Å²	36.2	44%	0.439	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-26	177.4	-59.5	-89.9	0	0	0	112.5	Q363 K365 S400	Q363-F402 PolarHBondContact NE2-O 3.36Å; K365-F402 HydrophobicContact CD-CD1 3.46Å; K365-F402 VanDerWaalsContact CD-CD1 3.46Å; K365-F402 HydrophobicContact CD-CE1 3.48Å; K365-F402 VanDerWaalsContact CD-CE1 3.48Å; K365-F402 HydrophobicContact CD-CG 4.19Å; K365-F402 HydrophobicContact CD-CZ 4.21Å; K365-F402 VanDerWaalsContact NZ-CE1 3.32Å; S400-F402 PolarHBondContact O-N 3.21Å; S400-F402 VanDerWaalsContact O-N 3.12Å; S400-F402 PolarHBondContact OG-N 3.02Å
403	N	96.2	Very high	95.9	Very high	15 Å²	15	36.4 Å²	36.4	8%	0.08	17%	0.171	C	C	.	.	S	Bend	trans	-100.3	16.9	-176	-64.4	-20.3	0	0	0	112.3	D398 S400 I414	D398-N403 PolarHBondContact O-ND2 2.88Å; S400-N403 PolarHBondContact O-N 3.11Å; S400-N403 VanDerWaalsContact O-N 3.14Å; N403-I414 WeakPolarHBondContact O-CG1 3.38Å; N403-I414 PolarHBondContact O-N 3.38Å; N403-I414 VanDerWaalsContact O-N 3.12Å
404	L	97.7	Very high	96	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	120	177.5	-64.7	176.3	0	0	0	109.1	Q363 L364 V381 L399 V411 W412 V413 I438	Q363-L404 WeakPolarHBondContact CA-O 3.48Å; L364-L404 HydrophobicContact CB-CB 3.92Å; L364-L404 WeakPolarHBondContact CB-O 3.28Å; L364-L404 HydrophobicContact CD2-CB 4.09Å; L364-L404 HydrophobicContact CD2-CD1 3.86Å; L364-L404 PolarHBondContact N-O 3.37Å; V381-L404 HydrophobicContact CG1-CD1 4.42Å; V381-L404 HydrophobicContact CG2-CD1 3.78Å; V381-L404 HydrophobicContact CG2-CD2 4.36Å; L399-L404 HydrophobicContact CD1-CD2 3.98Å; L399-L404 HydrophobicContact CD1-CG 4.39Å; L404-V411 HydrophobicContact CB-CG1 4.16Å; L404-V411 HydrophobicContact CD1-CG1 4.48Å; L404-V411 HydrophobicContact CD2-CG1 3.78Å; L404-V411 HydrophobicContact CG-CG1 4.36Å; L404-W412 WeakPolarHBondContact CA-O 3.4Å; L404-V413 HydrophobicContact CD2-CG2 4.04Å; L404-I438 HydrophobicContact CD1-CD1 3.94Å
405	L	97.3	Very high	96	Very high	23 Å²	23	38.1 Å²	38.1	12%	0.12	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	156.8	168.1	-52.2	-179.8	0	0	0	109.6	I353 A361 P362 Q363 V411 W412 I414	I353-L405 HydrophobicContact CB-CD1 4.28Å; A361-L405 HydrophobicContact CB-CB 4.32Å; P362-L405 WeakPolarHBondContact O-CA 3.38Å; Q363-L405 HydrophobicContact CB-CD2 4.49Å; Q363-L405 HydrophobicContact CG-CD2 3.82Å; L405-V411 CarbonylContact O-C 3.58Å; L405-V411 WeakPolarHBondContact O-CA 3.5Å; L405-W412 HydrophobicContact CB-CB 4.22Å; L405-W412 PolarHBondContact N-O 2.89Å; L405-W412 PolarHBondContact O-N 2.85Å; L405-I414 HydrophobicContact CD1-CD1 4.25Å; L405-I414 HydrophobicContact CD1-CG2 3.94Å; L405-I414 HydrophobicContact CD2-CD1 3.96Å; L405-I414 HydrophobicContact CG-CD1 3.93Å; L405-I414 HydrophobicContact CG-CG1 4.41Å; L405-I414 HydrophobicContact CG-CG2 4.14Å
406	Y	97	Very high	95.9	Very high	19 Å²	19	38 Å²	38	8%	0.075	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	118.7	174.5	-173.3	-90.7	0	0	0	110	P362 L364 L367 L369 A377 D409 K410 V411	P362-Y406 PolarHBondContact O-N 3.3Å; P362-Y406 VanDerWaalsContact O-N 3.08Å; L364-Y406 HydrophobicContact CD1-CD2 3.8Å; L364-Y406 HydrophobicContact CD1-CG 4.09Å; L367-Y406 HydrophobicContact CD1-CD1 3.51Å; L367-Y406 HydrophobicContact CD1-CE1 4.5Å; L367-Y406 HydrophobicContact CD1-CG 3.66Å; L369-Y406 HydrophobicContact CD1-CD2 4.37Å; L369-Y406 HydrophobicContact CD1-CE1 4.33Å; L369-Y406 HydrophobicContact CD1-CE2 4.05Å; L369-Y406 HydrophobicContact CD2-CE1 4.03Å; A377-Y406 HydrophobicContact CB-CE2 4.24Å; Y406-D409 WeakPolarHBondContact OH-CA 3.42Å; Y406-D409 PolarHBondContact OH-OD1 3.41Å; Y406-K410 WeakPolarHBondContact CA-O 3.3Å; Y406-V411 HydrophobicContact CD2-CG2 3.94Å; Y406-V411 HydrophobicContact CE2-CG2 4.39Å
407	W	95.5	Very high	95.6	Very high	67 Å²	67	38 Å²	38	25%	0.254	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	131.9	-175.9	-167.6	-121.3	0	0	0	110.3	I353 G354 D355 A361 D409 K410	I353-W407 HydrophobicContact CG2-CB 3.84Å; I353-W407 HydrophobicContact CG2-CG 4.11Å; G354-W407 VanDerWaalsContact C-CE2 3.48Å; G354-W407 VanDerWaalsContact O-CE2 3.23Å; G354-W407 VanDerWaalsContact O-CZ2 3.26Å; G354-W407 WeakPolarHBondContact O-CZ2 3.41Å; G354-W407 PolarHBondContact O-NE1 3.5Å; D355-W407 HydrophobicContact CB-CH2 3.83Å; D355-W407 HydrophobicContact CB-CZ2 3.91Å; A361-W407 HydrophobicContact CB-CB 3.78Å; A361-W407 HydrophobicContact CB-CD2 4.06Å; A361-W407 HydrophobicContact CB-CE3 3.87Å; A361-W407 HydrophobicContact CB-CG 4.05Å; W407-D409 VanDerWaalsContact C-N 3.32Å; W407-D409 PolarHBondContact O-N 3.12Å; W407-K410 PolarHBondContact N-O 3.34Å; W407-K410 WeakPolarHBondContact O-CB 3.34Å; W407-K410 PolarHBondContact O-N 3.04Å
408	Q	93.5	Very high	95.3	Very high	142 Å²	142	39.1 Å²	39.1	66%	0.664	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	49	50.3	179.2	-62	176.8	-13.6	0	0	113.2	K410	Q408-K410 PolarHBondContact O-N 3.19Å; Q408-K410 VanDerWaalsContact O-N 3.08Å
409	D	95.1	Very high	95.2	Very high	105 Å²	105	36.4 Å²	36.4	56%	0.561	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.8	17.4	-177.5	-61.2	-44.8	0	0	0	116.1	Q380 Y406 W407	Q380-D409 PolarHBondContact NE2-O 3.47Å; Y406-D409 WeakPolarHBondContact OH-CA 3.42Å; Y406-D409 PolarHBondContact OH-OD1 3.41Å; W407-D409 VanDerWaalsContact C-N 3.32Å; W407-D409 PolarHBondContact O-N 3.12Å
410	K	96.7	Very high	94.9	Very high	94 Å²	94	36.3 Å²	36.3	41%	0.409	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	142.1	177.6	-65.6	175.7	-176.5	173.6	0	111.6	M336 Y406 W407 Q408	M336-K410 HydrophobicContact SD-CD 4.06Å; Y406-K410 WeakPolarHBondContact CA-O 3.3Å; W407-K410 PolarHBondContact N-O 3.34Å; W407-K410 WeakPolarHBondContact O-CB 3.34Å; W407-K410 PolarHBondContact O-N 3.04Å; Q408-K410 PolarHBondContact O-N 3.19Å; Q408-K410 VanDerWaalsContact O-N 3.08Å
411	V	97.8	Very high	94.7	Very high	7 Å²	7	38.4 Å²	38.4	4%	0.042	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	126.2	171.6	-178.1	0	0	0	0	109.1	M336 A377 Q380 V381 L404 L405 Y406	M336-V411 WeakPolarHBondContact CB-O 3.32Å; A377-V411 HydrophobicContact CB-CG2 3.79Å; Q380-V411 HydrophobicContact CB-CB 4.26Å; Q380-V411 HydrophobicContact CB-CG2 4.2Å; V381-V411 HydrophobicContact CG2-CB 4.38Å; V381-V411 HydrophobicContact CG2-CG1 3.76Å; V381-V411 HydrophobicContact CG2-CG2 4.34Å; L404-V411 HydrophobicContact CB-CG1 4.16Å; L404-V411 HydrophobicContact CD1-CG1 4.48Å; L404-V411 HydrophobicContact CD2-CG1 3.78Å; L404-V411 HydrophobicContact CG-CG1 4.36Å; L405-V411 CarbonylContact O-C 3.58Å; L405-V411 WeakPolarHBondContact O-CA 3.5Å; Y406-V411 HydrophobicContact CD2-CG2 3.94Å; Y406-V411 HydrophobicContact CE2-CG2 4.39Å
412	W	97.9	Very high	94.5	Very high	37 Å²	37	37.5 Å²	37.5	14%	0.14	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	129.9	178.5	-64.7	74.5	0	0	0	110.1	M336 C337 I353 L404 L405	M336-W412 HydrophobicContact CB-CD2 4.27Å; M336-W412 HydrophobicContact CB-CE3 4.4Å; M336-W412 WeakPolarHBondContact O-CA 3.39Å; C337-W412 VanDerWaalsContact O-CZ3 3.32Å; C337-W412 WeakPolarHBondContact O-CZ3 3.29Å; I353-W412 HydrophobicContact CD1-CD2 3.98Å; I353-W412 HydrophobicContact CD1-CE3 3.42Å; I353-W412 VanDerWaalsContact CD1-CE3 3.42Å; I353-W412 HydrophobicContact CD1-CH2 3.76Å; I353-W412 HydrophobicContact CD1-CZ2 4.27Å; I353-W412 HydrophobicContact CD1-CZ3 3.31Å; I353-W412 HydrophobicContact CG1-CD2 4.2Å; I353-W412 HydrophobicContact CG1-CE3 3.91Å; I353-W412 HydrophobicContact CG1-CZ3 4.3Å; I353-W412 HydrophobicContact CG2-CD2 3.96Å; I353-W412 HydrophobicContact CG2-CE3 4.5Å; I353-W412 HydrophobicContact CG2-CG 3.99Å; L404-W412 WeakPolarHBondContact CA-O 3.4Å; L405-W412 HydrophobicContact CB-CB 4.22Å; L405-W412 PolarHBondContact N-O 2.89Å; L405-W412 PolarHBondContact O-N 2.85Å
413	V	98	Very high	94.1	Very high	4 Å²	4	36.4 Å²	36.4	2%	0.024	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	129.9	177.5	-176.9	0	0	0	0	109.3	F330 I335 M336 C337 P338 A384 M388 L399 L404 V416	F330-V413 HydrophobicContact CE2-CG1 4.24Å; I335-V413 HydrophobicContact CG2-CG2 4.28Å; M336-V413 PolarHBondContact O-N 3.37Å; C337-V413 WeakPolarHBondContact CB-O 3.45Å; P338-V413 WeakPolarHBondContact CD-O 3.29Å; A384-V413 HydrophobicContact CB-CG2 4.26Å; M388-V413 HydrophobicContact CE-CG1 4.34Å; L399-V413 HydrophobicContact CD1-CG1 4.38Å; L404-V413 HydrophobicContact CD2-CG2 4.04Å; V413-V416 HydrophobicContact CG1-CG1 4.23Å
414	I	96.8	Very high	93.5	Very high	36 Å²	36	37.9 Å²	37.9	19%	0.185	18%	0.18	C	C	.	.			trans	-129.2	167.5	179.6	61.3	165	0	0	0	111.1	P338 H396 N403 L405	P338-I414 HydrophobicContact CG-CG2 3.86Å; H396-I414 PolarHBondContact NE2-O 3.47Å; H396-I414 VanDerWaalsContact NE2-O 3.1Å; N403-I414 WeakPolarHBondContact O-CG1 3.38Å; N403-I414 PolarHBondContact O-N 3.38Å; N403-I414 VanDerWaalsContact O-N 3.12Å; L405-I414 HydrophobicContact CD1-CD1 4.25Å; L405-I414 HydrophobicContact CD1-CG2 3.94Å; L405-I414 HydrophobicContact CD2-CD1 3.96Å; L405-I414 HydrophobicContact CG-CD1 3.93Å; L405-I414 HydrophobicContact CG-CG1 4.41Å; L405-I414 HydrophobicContact CG-CG2 4.14Å
415	D	94.4	Very high	93	Very high	46 Å²	46	41 Å²	41	25%	0.246	20%	0.202	C	C	.	.			trans	64.5	59.2	174	-152.9	16.2	0	0	0	115.2	K287 E323 H396	K287-D415 IonicContact NZ-OD1 3.83Å; K287-D415 PolarHBondContact NZ-OD1 2.96Å; E323-D415 WeakPolarHBondContact OE1-CA 3.11Å; H396-D415 PolarHBondContact CE1-O 2.97Å
416	V	94.2	Very high	92.5	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.208	C	C	.	.			trans	-99.6	14.2	-173.1	-59.3	0	0	0	0	113.3	E323 H326 L327 F330 V413 Q418 A419	E323-V416 HydrophobicContact CG-CG2 3.82Å; E323-V416 PolarHBondContact OE1-N 3.02Å; H326-V416 HydrophobicContact CB-CB 4.27Å; H326-V416 HydrophobicContact CB-CG2 3.69Å; H326-V416 PolarHBondContact ND1-O 3.27Å; L327-V416 HydrophobicContact CD2-CG2 3.75Å; L327-V416 HydrophobicContact CG-CG2 3.73Å; F330-V416 HydrophobicContact CD2-CG1 4.24Å; F330-V416 HydrophobicContact CE2-CB 4.36Å; F330-V416 HydrophobicContact CE2-CG1 3.5Å; F330-V416 VanDerWaalsContact CE2-CG1 3.5Å; F330-V416 HydrophobicContact CZ-CG1 4.02Å; V413-V416 HydrophobicContact CG1-CG1 4.23Å; V416-Q418 VanDerWaalsContact C-N 3.25Å; V416-Q418 PolarHBondContact O-N 3.28Å; V416-A419 HydrophobicContact CB-CB 4.47Å; V416-A419 WeakPolarHBondContact O-CB 3.46Å; V416-A419 PolarHBondContact O-N 3.49Å
417	A	90.3	Very high	92.3	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.008	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-36.5	-179.9	0	0	0	0	0	112.6	Y289 W319 R322 E323	Y289-A417 HydrophobicContact CE1-CB 4.22Å; Y289-A417 WeakPolarHBondContact OH-CB 3.43Å; W319-A417 HydrophobicContact CE3-CB 3.96Å; R322-A417 WeakPolarHBondContact CD-O 3.42Å; R322-A417 PolarHBondContact NE-O 3.28Å; E323-A417 HydrophobicContact CB-CB 4.06Å
418	Q	88.1	Confident	92.2	Very high	25 Å²	25	38.4 Å²	38.4	12%	0.117	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88	-3.3	-177.8	-59.9	-172.5	11.2	0	0	113.7	E260 W319 V416 V420	E260-Q418 PolarHBondContact OE2-NE2 3.45Å; W319-Q418 HydrophobicContact CH2-CG 3.81Å; W319-Q418 HydrophobicContact CZ3-CG 3.52Å; V416-Q418 VanDerWaalsContact C-N 3.25Å; V416-Q418 PolarHBondContact O-N 3.28Å; Q418-V420 PolarHBondContact O-N 3.46Å
419	A	92.4	Very high	92.2	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.178	C	C	.	.			trans	-59.3	136.8	-177.7	0	0	0	0	0	111.4	R322 H326 L394 V395 H396 V416	R322-A419 PolarHBondContact NE-O 3.07Å; R322-A419 PolarHBondContact NH2-O 3.01Å; H326-A419 PolarHBondContact CE1-O 3.14Å; L394-A419 HydrophobicContact CD2-CB 4.49Å; V395-A419 CarbonylContact O-C 3.24Å; V395-A419 WeakPolarHBondContact O-CA 3.3Å; V395-A419 WeakPolarHBondContact O-CB 3.4Å; H396-A419 WeakPolarHBondContact O-CA 3.21Å; V416-A419 HydrophobicContact CB-CB 4.47Å; V416-A419 WeakPolarHBondContact O-CB 3.46Å; V416-A419 PolarHBondContact O-N 3.49Å
420	V	90.1	Very high	92.2	Very high	2 Å²	2	29.4 Å²	29.4	1%	0.012	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	146.8	-175.4	-60.5	0	0	0	0	111.2	Y302 L394 V395 A397 Q418 H424 F430	Y302-V420 HydrophobicContact CD1-CG1 4.43Å; L394-V420 CarbonylContact C-O 3.6Å; L394-V420 WeakPolarHBondContact CA-O 3.27Å; V395-V420 HydrophobicContact CB-CG2 4.07Å; V395-V420 PolarHBondContact N-O 2.83Å; V395-V420 PolarHBondContact O-N 3.44Å; A397-V420 HydrophobicContact CB-CG1 4.4Å; A397-V420 HydrophobicContact CB-CG2 4.24Å; Q418-V420 PolarHBondContact O-N 3.46Å; V420-H424 HydrophobicContact CB-CB 4.15Å; V420-H424 HydrophobicContact CG2-CB 4.33Å; V420-F430 HydrophobicContact CG1-CD2 4.37Å; V420-F430 HydrophobicContact CG1-CE2 4.24Å; V420-F430 HydrophobicContact CG2-CD2 3.79Å; V420-F430 HydrophobicContact CG2-CE2 4.39Å
421	H	91.3	Very high	92.3	Very high	59 Å²	59	25.1 Å²	25.1	27%	0.273	14%	0.135	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	150.5	172.4	-164.2	-100.2	0	0	0	110.8	E393 D423 H424	E393-H421 WeakPolarHBondContact O-CA 3.48Å; E393-H421 PolarHBondContact O-CD2 3.19Å; E393-H421 IonicContact OE2-NE2 3.18Å; H421-D423 IonicContact CE1-OD2 3.78Å; H421-D423 PolarHBondContact CE1-OD2 3.13Å; H421-D423 WeakPolarHBondContact ND1-CB 3.39Å; H421-D423 PolarHBondContact ND1-N 2.91Å; H421-D423 IonicContact ND1-OD2 3.3Å; H421-D423 PolarHBondContact ND1-OD2 3.5Å; H421-D423 PolarHBondContact O-N 2.97Å; H421-D423 VanDerWaalsContact O-N 3.08Å; H421-H424 VanDerWaalsContact O-CB 3.25Å; H421-H424 WeakPolarHBondContact O-CB 3.5Å; H421-H424 PolarHBondContact O-N 3.42Å
422	V	89.7	Confident	92.2	Very high	5 Å²	5	25 Å²	25	3%	0.03	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-19.3	179.3	-68.8	0	0	0	0	114.5	Y389 E393 H424 C427 Y490	Y389-V422 HydrophobicContact CD2-CG1 3.74Å; Y389-V422 HydrophobicContact CE2-CB 4.49Å; Y389-V422 HydrophobicContact CE2-CG1 3.65Å; Y389-V422 HydrophobicContact CG-CG1 4.43Å; E393-V422 VanDerWaalsContact C-CG1 3.48Å; E393-V422 HydrophobicContact CB-CG2 3.83Å; E393-V422 HydrophobicContact CG-CG2 4.43Å; E393-V422 PolarHBondContact O-N 3.16Å; V422-H424 VanDerWaalsContact C-N 3.27Å; V422-H424 PolarHBondContact O-N 3.07Å; V422-C427 VanDerWaalsContact CA-SG 3.54Å; V422-Y490 HydrophobicContact CB-CE1 4.08Å; V422-Y490 HydrophobicContact CG2-CD1 4.39Å; V422-Y490 HydrophobicContact CG2-CE1 3.8Å; V422-Y490 PolarHBondContact O-OH 3.45Å
423	D	85.7	Confident	92.1	Very high	77 Å²	77	27.7 Å²	27.7	41%	0.412	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-7.4	175.9	-68.2	-31.6	0	0	0	113.7	H421 R493	H421-D423 IonicContact CE1-OD2 3.78Å; H421-D423 PolarHBondContact CE1-OD2 3.13Å; H421-D423 WeakPolarHBondContact ND1-CB 3.39Å; H421-D423 PolarHBondContact ND1-N 2.91Å; H421-D423 IonicContact ND1-OD2 3.3Å; H421-D423 PolarHBondContact ND1-OD2 3.5Å; H421-D423 PolarHBondContact O-N 2.97Å; H421-D423 VanDerWaalsContact O-N 3.08Å; D423-R493 IonicContact OD1-CZ 3.77Å; D423-R493 IonicContact OD1-NH2 2.87Å; D423-R493 PolarHBondContact OD1-NH2 2.76Å; D423-R493 IonicContact OD2-CZ 3.73Å; D423-R493 IonicContact OD2-NE 3.89Å; D423-R493 IonicContact OD2-NH2 2.76Å; D423-R493 PolarHBondContact OD2-NH2 2.82Å
424	H	84.6	Confident	92.1	Very high	47 Å²	47	27.6 Å²	27.6	22%	0.218	14%	0.144	C	C	.	.	S	Bend	trans	-65.2	138.6	177.3	-171.5	-83.1	0	0	0	110.8	V420 H421 V422 D426 C427 F430	V420-H424 HydrophobicContact CB-CB 4.15Å; V420-H424 HydrophobicContact CG2-CB 4.33Å; H421-H424 VanDerWaalsContact O-CB 3.25Å; H421-H424 WeakPolarHBondContact O-CB 3.5Å; H421-H424 PolarHBondContact O-N 3.42Å; V422-H424 VanDerWaalsContact C-N 3.27Å; V422-H424 PolarHBondContact O-N 3.07Å; H424-D426 IonicContact CE1-OD2 2.77Å; H424-D426 PolarHBondContact ND1-N 3.25Å; H424-D426 PolarHBondContact O-N 2.97Å; H424-D426 VanDerWaalsContact O-N 3.08Å; H424-C427 HydrophobicContact CB-CB 4.26Å; H424-C427 WeakPolarHBondContact O-CB 3.43Å; H424-C427 PolarHBondContact O-N 2.92Å; H424-F430 AromaticContact CE1-CE2 3.85Å; H424-F430 AromaticContact ND1-CE2 3.84Å
425	S	87.1	Confident	92.2	Very high	65 Å²	65	25.9 Å²	25.9	46%	0.455	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-35.8	-176.1	63.8	0	0	0	0	113.3	V478	S425-V478 WeakPolarHBondContact O-CG1 3.35Å
426	D	86.7	Confident	92.3	Very high	47 Å²	47	25.3 Å²	25.3	25%	0.251	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.4	12.4	-175.7	-50.8	-19.3	0	0	0	112.8	H424 L428 T429 F430	H424-D426 IonicContact CE1-OD2 2.77Å; H424-D426 PolarHBondContact ND1-N 3.25Å; H424-D426 PolarHBondContact O-N 2.97Å; H424-D426 VanDerWaalsContact O-N 3.08Å; D426-L428 VanDerWaalsContact C-N 3.32Å; D426-L428 PolarHBondContact O-N 2.9Å; D426-T429 WeakPolarHBondContact O-CB 3.33Å; D426-T429 PolarHBondContact O-N 3.47Å; D426-T429 VanDerWaalsContact O-N 3.13Å; D426-F430 HydrophobicContact CB-CD2 4.2Å; D426-F430 HydrophobicContact CB-CE2 3.79Å; D426-F430 HydrophobicContact CB-CZ 4.17Å; D426-F430 WeakPolarHBondContact O-CD2 3.32Å; D426-F430 PolarHBondContact O-N 2.61Å
427	C	92	Very high	92.5	Very high	3 Å²	3	27.4 Å²	27.4	2%	0.02	14%	0.144	C	C	.	.	H	α-helix	trans	-50.7	-49.1	-178.1	163.7	0	0	0	0	112.4	V395 V422 H424 T429 F430 L431	V395-C427 WeakPolarHBondContact CG2-SG 3.48Å; V422-C427 VanDerWaalsContact CA-SG 3.54Å; H424-C427 HydrophobicContact CB-CB 4.26Å; H424-C427 WeakPolarHBondContact O-CB 3.43Å; H424-C427 PolarHBondContact O-N 2.92Å; C427-T429 VanDerWaalsContact C-N 3.33Å; C427-T429 PolarHBondContact O-N 3.19Å; C427-F430 PolarHBondContact O-N 3.12Å; C427-L431 PolarHBondContact O-N 3.36Å
428	L	93.6	Very high	92.8	Very high	4 Å²	4	27.4 Å²	27.4	2%	0.021	14%	0.144	C	C	.	.	H	α-helix	trans	-67.6	-33.8	-177.9	-62.2	-176.1	0	0	0	112.4	D426 L431 A432 F456 T460 F462 V474 L477 V478 M481	D426-L428 VanDerWaalsContact C-N 3.32Å; D426-L428 PolarHBondContact O-N 2.9Å; L428-L431 PolarHBondContact O-N 3.19Å; L428-A432 VanDerWaalsContact O-CB 3.31Å; L428-A432 WeakPolarHBondContact O-CB 3.1Å; L428-A432 PolarHBondContact O-N 3.06Å; L428-F456 HydrophobicContact CB-CE2 4.49Å; L428-F456 HydrophobicContact CB-CZ 4.29Å; L428-F456 HydrophobicContact CD2-CE2 4.46Å; L428-F456 HydrophobicContact CD2-CZ 4.1Å; L428-T460 HydrophobicContact CD2-CG2 4.41Å; L428-F462 HydrophobicContact CD1-CE2 4.06Å; L428-F462 HydrophobicContact CD2-CE2 4.13Å; L428-V474 HydrophobicContact CB-CG1 4.27Å; L428-L477 HydrophobicContact CD1-CB 4.2Å; L428-V478 HydrophobicContact CB-CG2 3.82Å; L428-V478 HydrophobicContact CD1-CG2 4.46Å; L428-M481 HydrophobicContact CD1-SD 3.53Å; L428-M481 VanDerWaalsContact CD1-SD 3.53Å; L428-M481 HydrophobicContact CG-SD 4.34Å
429	T	94.5	Very high	93.3	Very high	52 Å²	52	26.7 Å²	26.7	32%	0.319	14%	0.143	S	C	.	.	H	α-helix	trans	-65.1	-43.2	174.7	-52.7	0	0	0	0	110.7	D426 C427 A432 R433	D426-T429 WeakPolarHBondContact O-CB 3.33Å; D426-T429 PolarHBondContact O-N 3.47Å; D426-T429 VanDerWaalsContact O-N 3.13Å; C427-T429 VanDerWaalsContact C-N 3.33Å; C427-T429 PolarHBondContact O-N 3.19Å; T429-A432 PolarHBondContact O-N 2.9Å; T429-R433 PolarHBondContact O-N 2.87Å
430	F	95.2	Very high	93.4	Very high	6 Å²	6	32.2 Å²	32.2	3%	0.026	17%	0.168	C	C	.	.	H	α-helix	trans	-64.2	-42.9	175.1	-65.5	-47	0	0	0	112	Y302 V395 A397 V420 H424 D426 C427 A432 R433 D434	Y302-F430 HydrophobicContact CD1-CE1 4.43Å; Y302-F430 HydrophobicContact CD1-CE2 4.29Å; Y302-F430 AromaticContact CD1-CZ 3.84Å; Y302-F430 HydrophobicContact CD1-CZ 3.84Å; Y302-F430 HydrophobicContact CE1-CD1 4.34Å; Y302-F430 AromaticContact CE1-CE1 3.55Å; Y302-F430 HydrophobicContact CE1-CE1 3.55Å; Y302-F430 HydrophobicContact CE1-CE2 4.12Å; Y302-F430 AromaticContact CE1-CZ 3.4Å; Y302-F430 HydrophobicContact CE1-CZ 3.4Å; Y302-F430 VanDerWaalsContact CE1-CZ 3.4Å; V395-F430 HydrophobicContact CG1-CB 4Å; A397-F430 HydrophobicContact CB-CB 3.74Å; A397-F430 HydrophobicContact CB-CD1 4.26Å; A397-F430 HydrophobicContact CB-CD2 4.18Å; A397-F430 HydrophobicContact CB-CG 3.82Å; V420-F430 HydrophobicContact CG1-CD2 4.37Å; V420-F430 HydrophobicContact CG1-CE2 4.24Å; V420-F430 HydrophobicContact CG2-CD2 3.79Å; V420-F430 HydrophobicContact CG2-CE2 4.39Å; H424-F430 AromaticContact CE1-CE2 3.85Å; H424-F430 AromaticContact ND1-CE2 3.84Å; D426-F430 HydrophobicContact CB-CD2 4.2Å; D426-F430 HydrophobicContact CB-CE2 3.79Å; D426-F430 HydrophobicContact CB-CZ 4.17Å; D426-F430 WeakPolarHBondContact O-CD2 3.32Å; D426-F430 PolarHBondContact O-N 2.61Å; C427-F430 PolarHBondContact O-N 3.12Å; F430-A432 PolarHBondContact O-N 3.21Å; F430-R433 WeakPolarHBondContact O-CB 3.44Å; F430-R433 PolarHBondContact O-N 3.39Å; F430-D434 PolarHBondContact O-N 3.33Å
431	L	96.9	Very high	93.8	Very high	5 Å²	5	32.3 Å²	32.3	3%	0.026	17%	0.169	C	C	.	.	H	α-helix	trans	-64.8	-40	177.5	-179.2	61.9	0	0	0	112	M385 Y389 V395 C427 L428 R433 D434 C435 F456 I459 T460	M385-L431 HydrophobicContact CE-CD1 4.25Å; Y389-L431 HydrophobicContact CD2-CD2 3.74Å; Y389-L431 HydrophobicContact CE2-CD2 3.82Å; Y389-L431 HydrophobicContact CG-CD2 4.42Å; V395-L431 HydrophobicContact CG1-CB 3.85Å; V395-L431 HydrophobicContact CG1-CD1 4.32Å; V395-L431 HydrophobicContact CG2-CB 4.06Å; V395-L431 HydrophobicContact CG2-CD1 4.42Å; C427-L431 PolarHBondContact O-N 3.36Å; L428-L431 PolarHBondContact O-N 3.19Å; L431-R433 VanDerWaalsContact C-N 3.32Å; L431-R433 PolarHBondContact O-N 2.93Å; L431-D434 PolarHBondContact O-N 2.95Å; L431-C435 WeakPolarHBondContact O-CB 3.27Å; L431-C435 PolarHBondContact O-N 3.39Å; L431-C435 PolarHBondContact O-SG 2.79Å; L431-F456 HydrophobicContact CB-CE2 4.23Å; L431-F456 HydrophobicContact CD2-CD2 4.07Å; L431-F456 HydrophobicContact CD2-CE2 3.93Å; L431-F456 HydrophobicContact CG-CD2 3.99Å; L431-F456 HydrophobicContact CG-CE2 4.07Å; L431-I459 HydrophobicContact CD1-CD1 4.32Å; L431-I459 HydrophobicContact CD1-CG2 4.35Å; L431-I459 HydrophobicContact CD2-CG2 4.02Å; L431-T460 HydrophobicContact CD2-CG2 3.45Å; L431-T460 VanDerWaalsContact CD2-CG2 3.45Å
432	A	96.6	Very high	94	Very high	4 Å²	4	29.5 Å²	29.5	3%	0.033	16%	0.156	C	C	.	.	H	α-helix	trans	-61.5	-42.2	175.5	0	0	0	0	0	111.2	L428 T429 F430 C435 T436 F456 F470 V474	L428-A432 VanDerWaalsContact O-CB 3.31Å; L428-A432 WeakPolarHBondContact O-CB 3.1Å; L428-A432 PolarHBondContact O-N 3.06Å; T429-A432 PolarHBondContact O-N 2.9Å; F430-A432 PolarHBondContact O-N 3.21Å; A432-C435 WeakPolarHBondContact O-CB 3.24Å; A432-C435 PolarHBondContact O-N 3.11Å; A432-T436 PolarHBondContact O-N 3.22Å; A432-T436 PolarHBondContact O-OG1 3.38Å; A432-T436 VanDerWaalsContact O-OG1 3.1Å; A432-F456 HydrophobicContact CB-CD2 4.23Å; A432-F456 HydrophobicContact CB-CE2 4.22Å; A432-F470 HydrophobicContact CB-CE1 3.96Å; A432-F470 HydrophobicContact CB-CZ 3.74Å; A432-V474 HydrophobicContact CB-CB 4.44Å; A432-V474 HydrophobicContact CB-CG1 3.97Å; A432-V474 HydrophobicContact CB-CG2 3.98Å
433	R	96.8	Very high	94.3	Very high	93 Å²	93	30.2 Å²	30.2	35%	0.351	17%	0.165	S	C	.	.	H	α-helix	trans	-60.6	-48.5	173.8	-176.4	174.8	73.2	179.7	-0	112.1	Y302 A397 T429 F430 L431 C435 T436 N437	Y302-R433 PolarHBondContact OH-NH2 3.39Å; A397-R433 PolarHBondContact O-NH2 3.43Å; T429-R433 PolarHBondContact O-N 2.87Å; F430-R433 WeakPolarHBondContact O-CB 3.44Å; F430-R433 PolarHBondContact O-N 3.39Å; L431-R433 VanDerWaalsContact C-N 3.32Å; L431-R433 PolarHBondContact O-N 2.93Å; R433-C435 VanDerWaalsContact C-N 3.32Å; R433-C435 PolarHBondContact O-N 3.49Å; R433-T436 PolarHBondContact O-N 3.3Å; R433-T436 VanDerWaalsContact O-N 3.15Å; R433-N437 VanDerWaalsContact O-CG 3.31Å; R433-N437 PolarHBondContact O-N 3.03Å
434	D	97.9	Very high	94.7	Very high	2 Å²	2	34.7 Å²	34.7	1%	0.011	18%	0.175	C	C	.	.	H	α-helix	trans	-58.3	-44.9	177.4	-71.2	-11.2	0	0	0	110.9	M385 A397 D398 L399 F430 L431 T436 N437 I438	M385-D434 HydrophobicContact CE-CB 3.98Å; A397-D434 WeakPolarHBondContact CA-OD2 3.48Å; A397-D434 PolarHBondContact N-OD2 2.72Å; D398-D434 PolarHBondContact N-OD1 3.06Å; L399-D434 HydrophobicContact CB-CB 3.93Å; L399-D434 PolarHBondContact N-OD1 3.22Å; F430-D434 PolarHBondContact O-N 3.33Å; L431-D434 PolarHBondContact O-N 2.95Å; D434-T436 VanDerWaalsContact C-N 3.33Å; D434-T436 PolarHBondContact O-N 2.99Å; D434-N437 PolarHBondContact O-N 2.71Å; D434-I438 WeakPolarHBondContact O-CG1 3.49Å; D434-I438 PolarHBondContact O-N 3.32Å
435	C	97.6	Very high	95.2	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-60	-40.7	175.5	-74.2	0	0	0	0	112.7	L431 A432 R433 A439 A452 L455	L431-C435 WeakPolarHBondContact O-CB 3.27Å; L431-C435 PolarHBondContact O-N 3.39Å; L431-C435 PolarHBondContact O-SG 2.79Å; A432-C435 WeakPolarHBondContact O-CB 3.24Å; A432-C435 PolarHBondContact O-N 3.11Å; R433-C435 VanDerWaalsContact C-N 3.32Å; R433-C435 PolarHBondContact O-N 3.49Å; C435-A439 VanDerWaalsContact O-CB 3.24Å; C435-A439 WeakPolarHBondContact O-CB 3.26Å; C435-A439 PolarHBondContact O-N 2.82Å; C435-A452 HydrophobicContact CB-CB 4.34Å; C435-L455 HydrophobicContact CB-CD2 4.21Å; C435-L455 HydrophobicContact CB-CG 4.42Å
436	T	97.3	Very high	95.4	Very high	35 Å²	35	34.4 Å²	34.4	22%	0.215	18%	0.176	C	C	.	.	H	α-helix	trans	-65.3	-49.2	177.1	-64	0	0	0	0	111.3	A432 R433 D434 I438 A439 E440	A432-T436 PolarHBondContact O-N 3.22Å; A432-T436 PolarHBondContact O-OG1 3.38Å; A432-T436 VanDerWaalsContact O-OG1 3.1Å; R433-T436 PolarHBondContact O-N 3.3Å; R433-T436 VanDerWaalsContact O-N 3.15Å; D434-T436 VanDerWaalsContact C-N 3.33Å; D434-T436 PolarHBondContact O-N 2.99Å; T436-I438 VanDerWaalsContact C-N 3.33Å; T436-I438 PolarHBondContact O-N 3.26Å; T436-A439 PolarHBondContact O-N 2.95Å; T436-E440 HydrophobicContact CG2-CG 4.32Å; T436-E440 WeakPolarHBondContact O-CB 3.49Å; T436-E440 WeakPolarHBondContact O-CG 3.47Å; T436-E440 PolarHBondContact O-N 3.47Å
437	N	97.4	Very high	95.7	Very high	44 Å²	44	32.9 Å²	32.9	24%	0.235	17%	0.168	C	C	.	.	H	α-helix	trans	-55.7	-47.6	178	-68	-13.5	0	0	0	111.8	L399 R433 D434 F441	L399-N437 WeakPolarHBondContact O-CB 3.48Å; L399-N437 PolarHBondContact O-ND2 3.44Å; R433-N437 VanDerWaalsContact O-CG 3.31Å; R433-N437 PolarHBondContact O-N 3.03Å; D434-N437 PolarHBondContact O-N 2.71Å; N437-F441 WeakPolarHBondContact O-CB 3.48Å; N437-F441 PolarHBondContact O-N 2.9Å
438	I	97.9	Very high	95.5	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-64.9	-46.6	178.4	-67.8	-52.7	0	0	0	111.3	Y378 V381 M385 L399 L404 D434 T436 E440 F441 F442 L455	Y378-I438 HydrophobicContact CD2-CG2 4.48Å; Y378-I438 HydrophobicContact CE2-CG2 4.34Å; V381-I438 HydrophobicContact CG1-CD1 3.95Å; V381-I438 HydrophobicContact CG1-CG1 4.1Å; V381-I438 HydrophobicContact CG1-CG2 3.91Å; M385-I438 HydrophobicContact SD-CG1 4.01Å; L399-I438 HydrophobicContact CD2-CD1 4.15Å; L399-I438 HydrophobicContact CD2-CG1 3.94Å; L399-I438 HydrophobicContact CG-CD1 4.05Å; L399-I438 HydrophobicContact CG-CG1 4.23Å; L404-I438 HydrophobicContact CD1-CD1 3.94Å; D434-I438 WeakPolarHBondContact O-CG1 3.49Å; D434-I438 PolarHBondContact O-N 3.32Å; T436-I438 VanDerWaalsContact C-N 3.33Å; T436-I438 PolarHBondContact O-N 3.26Å; I438-E440 VanDerWaalsContact C-N 3.34Å; I438-E440 PolarHBondContact O-N 3.38Å; I438-F441 PolarHBondContact O-N 2.89Å; I438-F442 HydrophobicContact CG2-CD2 3.76Å; I438-F442 HydrophobicContact CG2-CE2 3.93Å; I438-F442 WeakPolarHBondContact O-CD2 3.37Å; I438-F442 PolarHBondContact O-N 2.91Å; I438-L455 HydrophobicContact CB-CD2 4.41Å; I438-L455 HydrophobicContact CG2-CD2 4.07Å
439	A	97	Very high	95.3	Very high	11 Å²	11	50.2 Å²	50.2	9%	0.091	24%	0.243	C	C	.	.	H	α-helix	trans	-61.2	-42.1	179.3	0	0	0	0	0	112.2	C435 T436 G443 I450 A452	C435-A439 VanDerWaalsContact O-CB 3.24Å; C435-A439 WeakPolarHBondContact O-CB 3.26Å; C435-A439 PolarHBondContact O-N 2.82Å; T436-A439 PolarHBondContact O-N 2.95Å; A439-G443 WeakPolarHBondContact O-CA 3.47Å; A439-G443 PolarHBondContact O-N 3.47Å; A439-I450 HydrophobicContact CB-CG2 3.89Å; A439-A452 HydrophobicContact CB-CB 4.22Å
440	E	96.6	Very high	95.2	Very high	115 Å²	115	49 Å²	49	54%	0.537	23%	0.234	S	C	.	.	H	α-helix	trans	-66.8	-43.7	177.3	-72.8	-177.3	176.4	0	0	112.3	T436 I438 G443 R444	T436-E440 HydrophobicContact CG2-CG 4.32Å; T436-E440 WeakPolarHBondContact O-CB 3.49Å; T436-E440 WeakPolarHBondContact O-CG 3.47Å; T436-E440 PolarHBondContact O-N 3.47Å; I438-E440 VanDerWaalsContact C-N 3.34Å; I438-E440 PolarHBondContact O-N 3.38Å; E440-G443 PolarHBondContact O-N 3.31Å; E440-R444 WeakPolarHBondContact O-CG 3.43Å; E440-R444 PolarHBondContact O-N 3.24Å
441	F	96.9	Very high	95.2	Very high	4 Å²	4	53.1 Å²	53.1	2%	0.018	25%	0.252	C	S	.	.	H	α-helix	trans	-60.1	-54.8	177.6	172	-111.3	0	0	0	112.1	L364 K365 W374 E401 N437 I438 G443 R444 K445	L364-F441 HydrophobicContact CD2-CE1 3.77Å; L364-F441 HydrophobicContact CD2-CZ 4.39Å; L364-F441 HydrophobicContact CG-CE1 3.96Å; L364-F441 HydrophobicContact CG-CZ 4.07Å; K365-F441 HydrophobicContact CB-CE2 4.26Å; W374-F441 HydrophobicContact CH2-CZ 4.04Å; W374-F441 AromaticContact CZ3-CE1 3.92Å; W374-F441 HydrophobicContact CZ3-CE1 3.92Å; W374-F441 AromaticContact CZ3-CZ 3.85Å; W374-F441 HydrophobicContact CZ3-CZ 3.85Å; E401-F441 HydrophobicContact CB-CB 4.38Å; E401-F441 HydrophobicContact CB-CD1 4.01Å; E401-F441 HydrophobicContact CB-CD2 3.34Å; E401-F441 HydrophobicContact CB-CE1 4.1Å; E401-F441 HydrophobicContact CB-CE2 3.44Å; E401-F441 VanDerWaalsContact CB-CE2 3.44Å; E401-F441 HydrophobicContact CB-CG 3.63Å; E401-F441 HydrophobicContact CB-CZ 3.83Å; E401-F441 HydrophobicContact CG-CD2 3.74Å; E401-F441 HydrophobicContact CG-CE2 3.95Å; E401-F441 HydrophobicContact CG-CG 4.39Å; N437-F441 WeakPolarHBondContact O-CB 3.48Å; N437-F441 PolarHBondContact O-N 2.9Å; I438-F441 PolarHBondContact O-N 2.89Å; F441-G443 VanDerWaalsContact C-N 3.27Å; F441-G443 PolarHBondContact O-N 3.4Å; F441-R444 WeakPolarHBondContact O-CB 3.23Å; F441-R444 PolarHBondContact O-N 3.26Å; F441-R444 VanDerWaalsContact O-N 3.16Å; F441-K445 HydrophobicContact CE2-CD 4.48Å; F441-K445 HydrophobicContact CE2-CG 4.1Å; F441-K445 HydrophobicContact CZ-CG 4.09Å; F441-K445 PolarHBondContact O-N 2.98Å; F441-K445 VanDerWaalsContact O-N 3.15Å
442	F	97	Very high	95.1	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-68.3	-29.7	179.5	-77.2	-78.4	0	0	0	112.1	L364 W374 A377 Y378 V381 I438 K445 G446 L447 I450	L364-F442 HydrophobicContact CD2-CZ 4Å; W374-F442 HydrophobicContact CE3-CD1 4.15Å; W374-F442 AromaticContact CE3-CE1 3.9Å; W374-F442 HydrophobicContact CE3-CE1 3.9Å; W374-F442 HydrophobicContact CZ3-CE1 4.37Å; A377-F442 HydrophobicContact CB-CE1 4.15Å; A377-F442 HydrophobicContact CB-CZ 4.43Å; Y378-F442 HydrophobicContact CD2-CB 4.35Å; Y378-F442 HydrophobicContact CD2-CD1 4.44Å; Y378-F442 AromaticContact CD2-CD2 3.74Å; Y378-F442 HydrophobicContact CD2-CD2 3.74Å; Y378-F442 HydrophobicContact CD2-CE2 4.09Å; Y378-F442 AromaticContact CD2-CG 3.93Å; Y378-F442 HydrophobicContact CD2-CG 3.93Å; Y378-F442 HydrophobicContact CG-CG 4.43Å; V381-F442 HydrophobicContact CB-CE2 4.3Å; V381-F442 HydrophobicContact CG1-CE2 4.46Å; V381-F442 HydrophobicContact CG2-CE2 4.11Å; V381-F442 HydrophobicContact CG2-CZ 4Å; I438-F442 HydrophobicContact CG2-CD2 3.76Å; I438-F442 HydrophobicContact CG2-CE2 3.93Å; I438-F442 WeakPolarHBondContact O-CD2 3.37Å; I438-F442 PolarHBondContact O-N 2.91Å; F442-K445 PolarHBondContact O-N 3.36Å; F442-G446 PolarHBondContact O-N 2.9Å; F442-L447 HydrophobicContact CB-CB 4.34Å; F442-L447 HydrophobicContact CB-CD1 4.24Å; F442-L447 HydrophobicContact CD1-CD1 3.91Å; F442-L447 HydrophobicContact CG-CD1 4.45Å; F442-L447 WeakPolarHBondContact O-CB 3.5Å; F442-L447 PolarHBondContact O-N 3.45Å; F442-I450 HydrophobicContact CB-CD1 3.61Å; F442-I450 HydrophobicContact CG-CD1 4.37Å
443	G	95.5	Very high	95.1	Very high	21 Å²	21	55.4 Å²	55.4	22%	0.216	26%	0.263	C	S	.	.	H	α-helix	trans	-58.4	-45.4	169.9	0	0	0	0	0	112.4	A439 E440 F441 K445 G446	A439-G443 WeakPolarHBondContact O-CA 3.47Å; A439-G443 PolarHBondContact O-N 3.47Å; E440-G443 PolarHBondContact O-N 3.31Å; F441-G443 VanDerWaalsContact C-N 3.27Å; F441-G443 PolarHBondContact O-N 3.4Å; G443-K445 VanDerWaalsContact C-N 3.33Å; G443-K445 PolarHBondContact O-N 3.04Å; G443-G446 PolarHBondContact O-N 3.4Å
444	R	94.7	Very high	95	Very high	170 Å²	170	57 Å²	57	64%	0.642	27%	0.272	S	S	*	.	H	α-helix	trans	-63.9	-33.8	175	-74	-176.4	-70.7	162.4	0.7	112.8	E401 E440 F441 G446	E401-R444 IonicContact OE1-CZ 3.61Å; E401-R444 IonicContact OE1-NH1 3.93Å; E401-R444 IonicContact OE1-NH2 3.62Å; E401-R444 PolarHBondContact OE1-NH2 2.97Å; E401-R444 IonicContact OE2-NH2 3.77Å; E440-R444 WeakPolarHBondContact O-CG 3.43Å; E440-R444 PolarHBondContact O-N 3.24Å; F441-R444 WeakPolarHBondContact O-CB 3.23Å; F441-R444 PolarHBondContact O-N 3.26Å; F441-R444 VanDerWaalsContact O-N 3.16Å; R444-G446 VanDerWaalsContact C-N 3.25Å; R444-G446 PolarHBondContact O-N 2.96Å
445	K	94.2	Very high	94.9	Very high	69 Å²	69	56.9 Å²	56.9	30%	0.3	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	2	176.6	-61.2	-67.7	-170.7	165.5	0	114.1	K365 L367 W374 F441 F442 G443	K365-K445 PolarHBondContact O-NZ 3.07Å; L367-K445 PolarHBondContact O-NZ 3.39Å; L367-K445 VanDerWaalsContact O-NZ 3.15Å; W374-K445 HydrophobicContact CD2-CB 3.83Å; W374-K445 HydrophobicContact CD2-CG 4.16Å; W374-K445 HydrophobicContact CE3-CB 4.15Å; W374-K445 HydrophobicContact CE3-CG 4.16Å; W374-K445 HydrophobicContact CG-CB 4.23Å; W374-K445 HydrophobicContact CH2-CD 3.82Å; W374-K445 HydrophobicContact CH2-CG 3.92Å; W374-K445 HydrophobicContact CZ2-CB 4.33Å; W374-K445 HydrophobicContact CZ2-CD 3.5Å; W374-K445 VanDerWaalsContact CZ2-CD 3.5Å; W374-K445 HydrophobicContact CZ2-CG 3.89Å; W374-K445 HydrophobicContact CZ3-CD 4.45Å; W374-K445 HydrophobicContact CZ3-CG 4.04Å; F441-K445 HydrophobicContact CE2-CD 4.48Å; F441-K445 HydrophobicContact CE2-CG 4.1Å; F441-K445 HydrophobicContact CZ-CG 4.09Å; F441-K445 PolarHBondContact O-N 2.98Å; F441-K445 VanDerWaalsContact O-N 3.15Å; F442-K445 PolarHBondContact O-N 3.36Å; G443-K445 VanDerWaalsContact C-N 3.33Å; G443-K445 PolarHBondContact O-N 3.04Å
446	G	91.3	Very high	94.9	Very high	37 Å²	37	56.9 Å²	56.9	38%	0.381	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	116.3	-8.6	171.3	0	0	0	0	0	115.4	F442 G443 R444 K448	F442-G446 PolarHBondContact O-N 2.9Å; G443-G446 PolarHBondContact O-N 3.4Å; R444-G446 VanDerWaalsContact C-N 3.25Å; R444-G446 PolarHBondContact O-N 2.96Å; G446-K448 VanDerWaalsContact C-N 3.3Å; G446-K448 PolarHBondContact O-N 2.89Å; G446-K448 VanDerWaalsContact O-N 3.07Å
447	L	93.3	Very high	94.7	Very high	16 Å²	16	56.6 Å²	56.6	8%	0.084	27%	0.269	C	S	.	.			trans	-88.2	56.9	-178.2	-58.4	-178.5	0	0	0	112.5	W374 H375 Y378 F442 K449 I450	W374-L447 HydrophobicContact CB-CD1 4.32Å; H375-L447 HydrophobicContact CB-CD2 4.39Å; Y378-L447 HydrophobicContact CG-CD1 4.38Å; F442-L447 HydrophobicContact CB-CB 4.34Å; F442-L447 HydrophobicContact CB-CD1 4.24Å; F442-L447 HydrophobicContact CD1-CD1 3.91Å; F442-L447 HydrophobicContact CG-CD1 4.45Å; F442-L447 WeakPolarHBondContact O-CB 3.5Å; F442-L447 PolarHBondContact O-N 3.45Å; L447-K449 PolarHBondContact O-N 3.4Å; L447-I450 HydrophobicContact CB-CD1 3.46Å; L447-I450 VanDerWaalsContact CB-CD1 3.46Å; L447-I450 HydrophobicContact CB-CG1 4.23Å; L447-I450 HydrophobicContact CD1-CD1 3.82Å; L447-I450 HydrophobicContact CG-CD1 4.3Å; L447-I450 PolarHBondContact O-N 2.92Å
448	K	87.5	Confident	94.6	Very high	177 Å²	177	58.4 Å²	58.4	77%	0.77	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-10.7	-172.8	-62.2	-175.5	-179.9	-178.6	0	116.3	G446	G446-K448 VanDerWaalsContact C-N 3.3Å; G446-K448 PolarHBondContact O-N 2.89Å; G446-K448 VanDerWaalsContact O-N 3.07Å
449	K	89.7	Confident	94.4	Very high	194 Å²	194	58.4 Å²	58.4	84%	0.843	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-13.2	-179.3	-66.5	-175.4	-179.2	178.7	0	113.4	L447	L447-K449 PolarHBondContact O-N 3.4Å
450	I	91.6	Very high	94.2	Very high	26 Å²	26	59.1 Å²	59.1	13%	0.133	28%	0.281	C	S	.	.			trans	-73.1	133.1	179.2	-60.3	162.7	0	0	0	108.8	Y378 A439 F442 L447	Y378-I450 HydrophobicContact CD1-CD1 3.9Å; Y378-I450 HydrophobicContact CD1-CG1 4.39Å; Y378-I450 HydrophobicContact CD2-CD1 3.4Å; Y378-I450 VanDerWaalsContact CD2-CD1 3.4Å; Y378-I450 HydrophobicContact CD2-CG1 4.3Å; Y378-I450 HydrophobicContact CE1-CD1 4.03Å; Y378-I450 HydrophobicContact CE1-CG1 4.07Å; Y378-I450 HydrophobicContact CE2-CB 4.43Å; Y378-I450 HydrophobicContact CE2-CD1 3.51Å; Y378-I450 HydrophobicContact CE2-CG1 3.94Å; Y378-I450 HydrophobicContact CE2-CG2 3.61Å; Y378-I450 HydrophobicContact CG-CD1 3.6Å; A439-I450 HydrophobicContact CB-CG2 3.89Å; F442-I450 HydrophobicContact CB-CD1 3.61Å; F442-I450 HydrophobicContact CG-CD1 4.37Å; L447-I450 HydrophobicContact CB-CD1 3.46Å; L447-I450 VanDerWaalsContact CB-CD1 3.46Å; L447-I450 HydrophobicContact CB-CG1 4.23Å; L447-I450 HydrophobicContact CD1-CD1 3.82Å; L447-I450 HydrophobicContact CG-CD1 4.3Å; L447-I450 PolarHBondContact O-N 2.92Å
451	K	94.7	Very high	93.9	Very high	92 Å²	92	56.4 Å²	56.4	40%	0.4	28%	0.284	S	S	.	.			trans	-129.4	132	179.8	-66.2	-64	-164.8	166	0	109	R453 K454 L455 D467	K451-R453 VanDerWaalsContact C-N 3.29Å; K451-R453 PolarHBondContact O-N 2.96Å; K451-K454 HydrophobicContact CB-CB 4.31Å; K451-K454 HydrophobicContact CB-CD 4.27Å; K451-K454 HydrophobicContact CB-CG 4.12Å; K451-K454 PolarHBondContact O-N 3.04Å; K451-L455 PolarHBondContact O-N 2.92Å; K451-L455 VanDerWaalsContact O-N 3.14Å; K451-D467 WeakPolarHBondContact CD-OD2 3.4Å; K451-D467 WeakPolarHBondContact CE-OD2 3.37Å; K451-D467 WeakPolarHBondContact CG-OD2 3.47Å; K451-D467 IonicContact NZ-OD2 3.31Å
452	A	96.3	Very high	93.5	Very high	16 Å²	16	58.7 Å²	58.7	13%	0.132	29%	0.294	C	S	.	.	H	α-helix	trans	-52.3	-46.6	-179.3	0	0	0	0	0	112	C435 A439 K454 L455 F456 F470	C435-A452 HydrophobicContact CB-CB 4.34Å; A439-A452 HydrophobicContact CB-CB 4.22Å; A452-K454 PolarHBondContact O-N 2.83Å; A452-L455 PolarHBondContact O-N 2.97Å; A452-F456 WeakPolarHBondContact O-CB 3.49Å; A452-F456 PolarHBondContact O-N 2.95Å; A452-F470 HydrophobicContact CB-CD1 4.35Å; A452-F470 HydrophobicContact CB-CE1 3.92Å; A452-F470 HydrophobicContact CB-CZ 4.5Å
453	R	96.2	Very high	93.1	Very high	41 Å²	41	68.4 Å²	68.4	16%	0.155	34%	0.336	C	S	.	.	H	α-helix	trans	-57.2	-42.9	175.9	-177.7	-177.4	59.7	90.8	4.1	113.8	K451 L455 F456 N457 L464 A465 S466 D467 F470	K451-R453 VanDerWaalsContact C-N 3.29Å; K451-R453 PolarHBondContact O-N 2.96Å; R453-L455 VanDerWaalsContact C-N 3.34Å; R453-F456 PolarHBondContact O-N 3.41Å; R453-N457 WeakPolarHBondContact O-CB 3.37Å; R453-N457 VanDerWaalsContact O-CG 3.26Å; R453-N457 PolarHBondContact O-N 3.21Å; R453-L464 WeakPolarHBondContact CD-O 3.35Å; R453-L464 HydrophobicContact CG-CB 3.86Å; R453-L464 PolarHBondContact NH1-O 2.98Å; R453-A465 PolarHBondContact NH1-O 3.23Å; R453-S466 VanDerWaalsContact CD-C 3.46Å; R453-S466 VanDerWaalsContact CD-O 3.23Å; R453-S466 WeakPolarHBondContact CD-O 3.5Å; R453-D467 IonicContact CZ-OD1 3.16Å; R453-D467 IonicContact NE-OD1 2.68Å; R453-D467 PolarHBondContact NE-OD1 3.24Å; R453-D467 IonicContact NH2-OD1 2.78Å; R453-D467 PolarHBondContact NH2-OD1 2.9Å; R453-F470 HydrophobicContact CB-CB 4.42Å; R453-F470 HydrophobicContact CB-CD2 3.66Å; R453-F470 HydrophobicContact CB-CE2 4.12Å; R453-F470 HydrophobicContact CB-CG 4.06Å; R453-F470 HydrophobicContact CG-CD2 3.87Å; R453-F470 HydrophobicContact CG-CE2 4.4Å
454	K	94.8	Very high	92.8	Very high	126 Å²	126	68.3 Å²	68.3	55%	0.548	33%	0.331	S	S	.	.	H	α-helix	trans	-66.2	-41.2	-179.7	-71.2	-175.3	179.8	177.9	0	110.9	K451 A452 L458	K451-K454 HydrophobicContact CB-CB 4.31Å; K451-K454 HydrophobicContact CB-CD 4.27Å; K451-K454 HydrophobicContact CB-CG 4.12Å; K451-K454 PolarHBondContact O-N 3.04Å; A452-K454 PolarHBondContact O-N 2.83Å; K454-L458 WeakPolarHBondContact O-CB 3.48Å; K454-L458 PolarHBondContact O-N 3.27Å
455	L	96	Very high	92.4	Very high	1 Å²	1	64.3 Å²	64.3	1%	0.005	33%	0.334	C	S	.	.	H	α-helix	trans	-64.3	-46	175	-179.3	57.9	0	0	0	111.1	E382 M385 C435 I438 K451 A452 R453 N457 L458 I459	E382-L455 HydrophobicContact CB-CD1 4.21Å; E382-L455 HydrophobicContact CG-CD1 3.77Å; M385-L455 HydrophobicContact CE-CD2 4.33Å; M385-L455 HydrophobicContact SD-CD2 4Å; C435-L455 HydrophobicContact CB-CD2 4.21Å; C435-L455 HydrophobicContact CB-CG 4.42Å; I438-L455 HydrophobicContact CB-CD2 4.41Å; I438-L455 HydrophobicContact CG2-CD2 4.07Å; K451-L455 PolarHBondContact O-N 2.92Å; K451-L455 VanDerWaalsContact O-N 3.14Å; A452-L455 PolarHBondContact O-N 2.97Å; R453-L455 VanDerWaalsContact C-N 3.34Å; L455-N457 PolarHBondContact O-N 3.08Å; L455-L458 WeakPolarHBondContact O-CB 3.44Å; L455-L458 PolarHBondContact O-N 2.69Å; L455-I459 HydrophobicContact CD1-CD1 3.82Å; L455-I459 HydrophobicContact CD1-CG1 4.28Å; L455-I459 HydrophobicContact CG-CD1 3.84Å; L455-I459 VanDerWaalsContact O-CG1 3.32Å; L455-I459 WeakPolarHBondContact O-CG1 3.48Å; L455-I459 PolarHBondContact O-N 2.84Å
456	F	96.5	Very high	92.1	Very high	0 Å²	0	63 Å²	63	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-59.1	-48.5	176.2	-176.9	-88.9	0	0	0	112.3	L428 L431 A432 A452 R453 L458 I459 T460 F462 L464 F470 V474	L428-F456 HydrophobicContact CB-CE2 4.49Å; L428-F456 HydrophobicContact CB-CZ 4.29Å; L428-F456 HydrophobicContact CD2-CE2 4.46Å; L428-F456 HydrophobicContact CD2-CZ 4.1Å; L431-F456 HydrophobicContact CB-CE2 4.23Å; L431-F456 HydrophobicContact CD2-CD2 4.07Å; L431-F456 HydrophobicContact CD2-CE2 3.93Å; L431-F456 HydrophobicContact CG-CD2 3.99Å; L431-F456 HydrophobicContact CG-CE2 4.07Å; A432-F456 HydrophobicContact CB-CD2 4.23Å; A432-F456 HydrophobicContact CB-CE2 4.22Å; A452-F456 WeakPolarHBondContact O-CB 3.49Å; A452-F456 PolarHBondContact O-N 2.95Å; R453-F456 PolarHBondContact O-N 3.41Å; F456-L458 VanDerWaalsContact C-N 3.29Å; F456-L458 PolarHBondContact O-N 3.21Å; F456-I459 PolarHBondContact O-N 3.35Å; F456-T460 HydrophobicContact CD1-CG2 4.35Å; F456-T460 HydrophobicContact CD2-CG2 4.38Å; F456-T460 HydrophobicContact CE1-CG2 4.07Å; F456-T460 HydrophobicContact CE2-CG2 4.11Å; F456-T460 HydrophobicContact CZ-CG2 3.94Å; F456-T460 WeakPolarHBondContact O-CB 3.36Å; F456-T460 WeakPolarHBondContact O-CG2 3.37Å; F456-T460 PolarHBondContact O-N 3.14Å; F456-T460 PolarHBondContact O-OG1 3.43Å; F456-F462 HydrophobicContact CE1-CB 4.47Å; F456-F462 AromaticContact CE1-CD2 3.75Å; F456-F462 HydrophobicContact CE1-CD2 3.75Å; F456-F462 HydrophobicContact CZ-CD2 4.24Å; F456-L464 HydrophobicContact CD1-CD1 3.77Å; F456-L464 HydrophobicContact CE1-CD1 3.8Å; F456-F470 HydrophobicContact CB-CE2 3.72Å; F456-F470 HydrophobicContact CB-CZ 3.77Å; F456-F470 AromaticContact CD1-CE2 3.98Å; F456-F470 HydrophobicContact CD1-CE2 3.98Å; F456-F470 HydrophobicContact CD2-CE2 4.3Å; F456-F470 HydrophobicContact CD2-CZ 4.11Å; F456-F470 AromaticContact CG-CE2 3.75Å; F456-F470 HydrophobicContact CG-CE2 3.75Å; F456-F470 AromaticContact CG-CZ 3.91Å; F456-F470 HydrophobicContact CG-CZ 3.91Å; F456-V474 HydrophobicContact CE1-CG2 4.27Å; F456-V474 HydrophobicContact CE2-CG2 4.34Å; F456-V474 HydrophobicContact CZ-CG2 4.07Å
457	N	94.7	Very high	92	Very high	28 Å²	28	64 Å²	64	15%	0.15	33%	0.33	C	S	.	.	H	α-helix	trans	-61.3	-36.8	176.4	-76.2	-6	0	0	0	112	R453 L455 G461 F462 L464	R453-N457 WeakPolarHBondContact O-CB 3.37Å; R453-N457 VanDerWaalsContact O-CG 3.26Å; R453-N457 PolarHBondContact O-N 3.21Å; L455-N457 PolarHBondContact O-N 3.08Å; N457-G461 VanDerWaalsContact O-CA 3.22Å; N457-G461 WeakPolarHBondContact O-CA 3.42Å; N457-G461 PolarHBondContact O-N 2.82Å; N457-F462 WeakPolarHBondContact CB-O 3.38Å; N457-F462 PolarHBondContact OD1-O 3.24Å; N457-L464 PolarHBondContact ND2-N 3.43Å; N457-L464 PolarHBondContact ND2-O 2.84Å; N457-L464 WeakPolarHBondContact OD1-CB 3.36Å; N457-L464 WeakPolarHBondContact OD1-CG 3.42Å; N457-L464 PolarHBondContact OD1-N 2.89Å; N457-L464 VanDerWaalsContact OD1-N 3.15Å
458	L	94	Very high	91.9	Very high	82 Å²	82	72.1 Å²	72.1	43%	0.429	37%	0.367	S	S	.	.	H	α-helix	trans	-64.9	-46.9	176.8	-178.3	72.2	0	0	0	111.4	E382 K454 L455 F456	E382-L458 VanDerWaalsContact CD-CD2 3.48Å; E382-L458 HydrophobicContact CG-CD2 3.61Å; K454-L458 WeakPolarHBondContact O-CB 3.48Å; K454-L458 PolarHBondContact O-N 3.27Å; L455-L458 WeakPolarHBondContact O-CB 3.44Å; L455-L458 PolarHBondContact O-N 2.69Å; F456-L458 VanDerWaalsContact C-N 3.29Å; F456-L458 PolarHBondContact O-N 3.21Å
459	I	94.7	Very high	92	Very high	1 Å²	1	66.3 Å²	66.3	1%	0.005	35%	0.347	C	S	.	.	H	α-helix	trans	-68.1	-46.2	-177.3	-67.2	162.8	0	0	0	111.1	M385 Y389 Q390 L431 L455 F456	M385-I459 HydrophobicContact CB-CD1 3.65Å; M385-I459 HydrophobicContact CB-CG1 4.33Å; M385-I459 HydrophobicContact CE-CD1 3.84Å; M385-I459 HydrophobicContact SD-CD1 4.34Å; Y389-I459 VanDerWaalsContact CB-CG2 3.41Å; Y389-I459 HydrophobicContact CD1-CG2 3.93Å; Y389-I459 HydrophobicContact CD2-CG2 4.35Å; Y389-I459 HydrophobicContact CG-CG2 3.64Å; Q390-I459 PolarHBondContact NE2-O 2.91Å; L431-I459 HydrophobicContact CD1-CD1 4.32Å; L431-I459 HydrophobicContact CD1-CG2 4.35Å; L431-I459 HydrophobicContact CD2-CG2 4.02Å; L455-I459 HydrophobicContact CD1-CD1 3.82Å; L455-I459 HydrophobicContact CD1-CG1 4.28Å; L455-I459 HydrophobicContact CG-CD1 3.84Å; L455-I459 VanDerWaalsContact O-CG1 3.32Å; L455-I459 WeakPolarHBondContact O-CG1 3.48Å; L455-I459 PolarHBondContact O-N 2.84Å; F456-I459 PolarHBondContact O-N 3.35Å
460	T	91.9	Very high	92.2	Very high	25 Å²	25	57.5 Å²	57.5	15%	0.153	31%	0.309	C	S	.	.	H	α-helix	trans	-91.4	-22.6	-171.5	59.9	0	0	0	0	114.4	Y389 L428 L431 F456 F462	Y389-T460 HydrophobicContact CE1-CG2 4.18Å; Y389-T460 HydrophobicContact CE2-CG2 4.4Å; L428-T460 HydrophobicContact CD2-CG2 4.41Å; L431-T460 HydrophobicContact CD2-CG2 3.45Å; L431-T460 VanDerWaalsContact CD2-CG2 3.45Å; F456-T460 HydrophobicContact CD1-CG2 4.35Å; F456-T460 HydrophobicContact CD2-CG2 4.38Å; F456-T460 HydrophobicContact CE1-CG2 4.07Å; F456-T460 HydrophobicContact CE2-CG2 4.11Å; F456-T460 HydrophobicContact CZ-CG2 3.94Å; F456-T460 WeakPolarHBondContact O-CB 3.36Å; F456-T460 WeakPolarHBondContact O-CG2 3.37Å; F456-T460 PolarHBondContact O-N 3.14Å; F456-T460 PolarHBondContact O-OG1 3.43Å; T460-F462 VanDerWaalsContact C-N 3.27Å; T460-F462 HydrophobicContact CG2-CD2 4Å; T460-F462 HydrophobicContact CG2-CE2 4.24Å; T460-F462 WeakPolarHBondContact OG1-CD2 3.44Å; T460-F462 PolarHBondContact OG1-N 3.12Å
461	G	90.2	Very high	92.1	Very high	58 Å²	58	61.2 Å²	61.2	60%	0.598	33%	0.329	S	S	*	.			trans	78.7	2.8	-169.8	0	0	0	0	0	114.8	N457	N457-G461 VanDerWaalsContact O-CA 3.22Å; N457-G461 WeakPolarHBondContact O-CA 3.42Å; N457-G461 PolarHBondContact O-N 2.82Å
462	F	89.4	Confident	92	Very high	52 Å²	52	60 Å²	60	23%	0.228	33%	0.332	C	S	.	.			trans	-68.4	160.4	174.5	-67.8	-56.7	0	0	0	112.1	L428 F456 N457 T460 L477	L428-F462 HydrophobicContact CD1-CE2 4.06Å; L428-F462 HydrophobicContact CD2-CE2 4.13Å; F456-F462 HydrophobicContact CE1-CB 4.47Å; F456-F462 AromaticContact CE1-CD2 3.75Å; F456-F462 HydrophobicContact CE1-CD2 3.75Å; F456-F462 HydrophobicContact CZ-CD2 4.24Å; N457-F462 WeakPolarHBondContact CB-O 3.38Å; N457-F462 PolarHBondContact OD1-O 3.24Å; T460-F462 VanDerWaalsContact C-N 3.27Å; T460-F462 HydrophobicContact CG2-CD2 4Å; T460-F462 HydrophobicContact CG2-CE2 4.24Å; T460-F462 WeakPolarHBondContact OG1-CD2 3.44Å; T460-F462 PolarHBondContact OG1-N 3.12Å; F462-L477 HydrophobicContact CD2-CD1 4.16Å; F462-L477 HydrophobicContact CE2-CD1 4.45Å; F462-L477 HydrophobicContact CG-CD1 4.24Å
463	K	89	Confident	91.8	Very high	204 Å²	204	61 Å²	61	89%	0.887	34%	0.335	S	S	*	.			trans	-120	61.8	179.9	-65.9	-175.9	-179.7	178.1	0	111
464	L	89	Confident	91.6	Very high	20 Å²	20	59.1 Å²	59.1	11%	0.105	33%	0.328	C	S	.	.			trans	-68.4	139.2	174.8	-60.2	-175.8	0	0	0	111.3	R453 F456 N457 F470 D473 V474 L477	R453-L464 WeakPolarHBondContact CD-O 3.35Å; R453-L464 HydrophobicContact CG-CB 3.86Å; R453-L464 PolarHBondContact NH1-O 2.98Å; F456-L464 HydrophobicContact CD1-CD1 3.77Å; F456-L464 HydrophobicContact CE1-CD1 3.8Å; N457-L464 PolarHBondContact ND2-N 3.43Å; N457-L464 PolarHBondContact ND2-O 2.84Å; N457-L464 WeakPolarHBondContact OD1-CB 3.36Å; N457-L464 WeakPolarHBondContact OD1-CG 3.42Å; N457-L464 PolarHBondContact OD1-N 2.89Å; N457-L464 VanDerWaalsContact OD1-N 3.15Å; L464-F470 HydrophobicContact CD1-CD2 3.71Å; L464-F470 HydrophobicContact CD1-CE2 3.76Å; L464-D473 HydrophobicContact CD1-CB 4.27Å; L464-D473 HydrophobicContact CD2-CB 3.75Å; L464-D473 HydrophobicContact CG-CB 4.47Å; L464-V474 HydrophobicContact CD1-CG2 3.96Å; L464-L477 HydrophobicContact CD2-CD1 3.74Å; L464-L477 HydrophobicContact CG-CD1 4.49Å
465	A	85	Confident	91.4	Very high	85 Å²	85	57 Å²	57	70%	0.702	32%	0.323	S	S	*	.			trans	-86.1	-53.9	-162.8	0	0	0	0	0	113.9	R453	R453-A465 PolarHBondContact NH1-O 3.23Å
466	S	89.3	Confident	91.1	Very high	41 Å²	41	60.5 Å²	60.5	29%	0.287	34%	0.342	S	S	.	.			trans	-119.6	143.1	-172.4	-175.7	0	0	0	0	112.4	R453 E468 T469 F470	R453-S466 VanDerWaalsContact CD-C 3.46Å; R453-S466 VanDerWaalsContact CD-O 3.23Å; R453-S466 WeakPolarHBondContact CD-O 3.5Å; S466-E468 PolarHBondContact O-N 3Å; S466-E468 PolarHBondContact OG-N 3.47Å; S466-T469 WeakPolarHBondContact CB-OG1 3.15Å; S466-T469 PolarHBondContact O-OG1 3.14Å; S466-F470 PolarHBondContact O-N 3.34Å
467	D	88.7	Confident	90.6	Very high	59 Å²	59	61.9 Å²	61.9	32%	0.316	35%	0.349	S	S	.	.	S	Bend	trans	-64.1	-29.2	171.4	-68.3	-5	0	0	0	111.1	K451 R453 F470	K451-D467 WeakPolarHBondContact CD-OD2 3.4Å; K451-D467 WeakPolarHBondContact CE-OD2 3.37Å; K451-D467 WeakPolarHBondContact CG-OD2 3.47Å; K451-D467 IonicContact NZ-OD2 3.31Å; R453-D467 IonicContact CZ-OD1 3.16Å; R453-D467 IonicContact NE-OD1 2.68Å; R453-D467 PolarHBondContact NE-OD1 3.24Å; R453-D467 IonicContact NH2-OD1 2.78Å; R453-D467 PolarHBondContact NH2-OD1 2.9Å; D467-F470 WeakPolarHBondContact O-CB 3.48Å
468	E	89.9	Confident	90.3	Very high	186 Å²	186	61.1 Å²	61.1	87%	0.869	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-29.9	-177.5	-63.1	175.2	174.6	0	0	113	S466	S466-E468 PolarHBondContact O-N 3Å; S466-E468 PolarHBondContact OG-N 3.47Å
469	T	91	Very high	89.9	Confident	56 Å²	56	60 Å²	60	34%	0.344	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97	2.9	-179.9	58.4	0	0	0	0	112.5	S466 D471 S472 D473	S466-T469 WeakPolarHBondContact CB-OG1 3.15Å; S466-T469 PolarHBondContact O-OG1 3.14Å; T469-D471 PolarHBondContact O-N 2.92Å; T469-S472 CarbonylContact O-C 3.48Å; T469-S472 WeakPolarHBondContact O-CB 3.42Å; T469-S472 PolarHBondContact O-N 3.39Å; T469-D473 WeakPolarHBondContact O-CB 3.32Å; T469-D473 PolarHBondContact O-N 3Å; T469-D473 PolarHBondContact OG1-OD2 2.83Å
470	F	92.5	Very high	89.4	Confident	9 Å²	9	66.5 Å²	66.5	4%	0.039	37%	0.369	C	S	.	.	H	α-helix	trans	-52.3	-50.6	-168.4	175.7	-120.4	0	0	0	113.5	A432 A452 R453 F456 L464 S466 D467 S472 D473 V474	A432-F470 HydrophobicContact CB-CE1 3.96Å; A432-F470 HydrophobicContact CB-CZ 3.74Å; A452-F470 HydrophobicContact CB-CD1 4.35Å; A452-F470 HydrophobicContact CB-CE1 3.92Å; A452-F470 HydrophobicContact CB-CZ 4.5Å; R453-F470 HydrophobicContact CB-CB 4.42Å; R453-F470 HydrophobicContact CB-CD2 3.66Å; R453-F470 HydrophobicContact CB-CE2 4.12Å; R453-F470 HydrophobicContact CB-CG 4.06Å; R453-F470 HydrophobicContact CG-CD2 3.87Å; R453-F470 HydrophobicContact CG-CE2 4.4Å; F456-F470 HydrophobicContact CB-CE2 3.72Å; F456-F470 HydrophobicContact CB-CZ 3.77Å; F456-F470 AromaticContact CD1-CE2 3.98Å; F456-F470 HydrophobicContact CD1-CE2 3.98Å; F456-F470 HydrophobicContact CD2-CE2 4.3Å; F456-F470 HydrophobicContact CD2-CZ 4.11Å; F456-F470 AromaticContact CG-CE2 3.75Å; F456-F470 HydrophobicContact CG-CE2 3.75Å; F456-F470 AromaticContact CG-CZ 3.91Å; F456-F470 HydrophobicContact CG-CZ 3.91Å; L464-F470 HydrophobicContact CD1-CD2 3.71Å; L464-F470 HydrophobicContact CD1-CE2 3.76Å; S466-F470 PolarHBondContact O-N 3.34Å; D467-F470 WeakPolarHBondContact O-CB 3.48Å; F470-S472 PolarHBondContact O-N 3.4Å; F470-D473 PolarHBondContact O-N 3.01Å; F470-V474 HydrophobicContact CD2-CG2 4.07Å; F470-V474 HydrophobicContact CE2-CG2 3.68Å; F470-V474 HydrophobicContact CZ-CG2 4.05Å; F470-V474 VanDerWaalsContact O-CG2 3.31Å; F470-V474 WeakPolarHBondContact O-CG2 3.39Å; F470-V474 PolarHBondContact O-N 3.12Å
471	D	91.4	Very high	88.7	Confident	103 Å²	103	68.9 Å²	68.9	55%	0.551	38%	0.379	S	S	*	.	H	α-helix	trans	-66.3	-39.2	-179.3	-64.1	-29.1	0	0	0	112	T469 V474 N475	T469-D471 PolarHBondContact O-N 2.92Å; D471-V474 PolarHBondContact O-N 3.31Å; D471-N475 WeakPolarHBondContact O-CB 3.41Å; D471-N475 PolarHBondContact O-N 3.23Å; D471-N475 PolarHBondContact O-ND2 2.98Å; D471-N475 VanDerWaalsContact O-ND2 3.1Å
472	S	92	Very high	88	Confident	67 Å²	67	71.4 Å²	71.4	47%	0.469	38%	0.375	S	S	.	.	H	α-helix	trans	-65.3	-43.7	175.8	-167.8	0	0	0	0	111.2	T469 F470 V474 N475 D476	T469-S472 CarbonylContact O-C 3.48Å; T469-S472 WeakPolarHBondContact O-CB 3.42Å; T469-S472 PolarHBondContact O-N 3.39Å; F470-S472 PolarHBondContact O-N 3.4Å; S472-V474 VanDerWaalsContact C-N 3.32Å; S472-V474 PolarHBondContact O-N 2.98Å; S472-N475 PolarHBondContact O-N 2.97Å; S472-D476 WeakPolarHBondContact O-CB 3.28Å; S472-D476 PolarHBondContact O-N 3.45Å
473	D	92	Very high	87	Confident	37 Å²	37	73.7 Å²	73.7	20%	0.198	39%	0.39	C	S	.	.	H	α-helix	trans	-64.2	-39	179.6	-67.6	-21	0	0	0	111	L464 T469 F470 L477	L464-D473 HydrophobicContact CD1-CB 4.27Å; L464-D473 HydrophobicContact CD2-CB 3.75Å; L464-D473 HydrophobicContact CG-CB 4.47Å; T469-D473 WeakPolarHBondContact O-CB 3.32Å; T469-D473 PolarHBondContact O-N 3Å; T469-D473 PolarHBondContact OG1-OD2 2.83Å; F470-D473 PolarHBondContact O-N 3.01Å; D473-L477 WeakPolarHBondContact O-CG 3.49Å; D473-L477 PolarHBondContact O-N 2.91Å
474	V	91.1	Very high	85.5	Confident	1 Å²	1	67.1 Å²	67.1	1%	0.006	38%	0.379	C	S	.	.	H	α-helix	trans	-66.1	-44.8	174.4	171.4	0	0	0	0	110.9	L428 A432 F456 L464 F470 D471 S472 D476 L477 V478	L428-V474 HydrophobicContact CB-CG1 4.27Å; A432-V474 HydrophobicContact CB-CB 4.44Å; A432-V474 HydrophobicContact CB-CG1 3.97Å; A432-V474 HydrophobicContact CB-CG2 3.98Å; F456-V474 HydrophobicContact CE1-CG2 4.27Å; F456-V474 HydrophobicContact CE2-CG2 4.34Å; F456-V474 HydrophobicContact CZ-CG2 4.07Å; L464-V474 HydrophobicContact CD1-CG2 3.96Å; F470-V474 HydrophobicContact CD2-CG2 4.07Å; F470-V474 HydrophobicContact CE2-CG2 3.68Å; F470-V474 HydrophobicContact CZ-CG2 4.05Å; F470-V474 VanDerWaalsContact O-CG2 3.31Å; F470-V474 WeakPolarHBondContact O-CG2 3.39Å; F470-V474 PolarHBondContact O-N 3.12Å; D471-V474 PolarHBondContact O-N 3.31Å; S472-V474 VanDerWaalsContact C-N 3.32Å; S472-V474 PolarHBondContact O-N 2.98Å; V474-D476 VanDerWaalsContact C-N 3.31Å; V474-D476 PolarHBondContact O-N 3.3Å; V474-L477 WeakPolarHBondContact O-CB 3.47Å; V474-L477 PolarHBondContact O-N 3.07Å; V474-V478 HydrophobicContact CG1-CG2 4.47Å; V474-V478 WeakPolarHBondContact O-CG2 3.31Å; V474-V478 PolarHBondContact O-N 3.43Å
475	N	91.1	Very high	83.5	Confident	82 Å²	82	76 Å²	76	44%	0.439	41%	0.412	S	S	.	.	H	α-helix	trans	-63.3	-37.9	177.5	-71.7	-29.9	0	0	0	112.3	D471 S472 V478 S479	D471-N475 WeakPolarHBondContact O-CB 3.41Å; D471-N475 PolarHBondContact O-N 3.23Å; D471-N475 PolarHBondContact O-ND2 2.98Å; D471-N475 VanDerWaalsContact O-ND2 3.1Å; S472-N475 PolarHBondContact O-N 2.97Å; N475-V478 PolarHBondContact O-N 3.29Å; N475-S479 WeakPolarHBondContact O-CB 3.33Å; N475-S479 PolarHBondContact O-N 2.8Å; N475-S479 PolarHBondContact O-OG 3.42Å
476	D	89.1	Confident	81.7	Confident	75 Å²	75	74.6 Å²	74.6	40%	0.401	39%	0.394	S	S	.	.	H	α-helix	trans	-64	-41.9	173.1	-84.3	8.1	0	0	0	111.6	S472 V474 S479 R480	S472-D476 WeakPolarHBondContact O-CB 3.28Å; S472-D476 PolarHBondContact O-N 3.45Å; V474-D476 VanDerWaalsContact C-N 3.31Å; V474-D476 PolarHBondContact O-N 3.3Å; D476-S479 PolarHBondContact O-N 2.67Å; D476-R480 VanDerWaalsContact O-CG 3.23Å; D476-R480 WeakPolarHBondContact O-CG 3.37Å; D476-R480 PolarHBondContact O-N 2.79Å
477	L	87.5	Confident	79.2	Confident	29 Å²	29	78 Å²	78	15%	0.152	42%	0.424	C	S	.	.	H	α-helix	trans	-61.3	-47.3	174.4	-76.6	173.8	0	0	0	111.6	L428 F462 L464 D473 V474 S479 R480 M481	L428-L477 HydrophobicContact CD1-CB 4.2Å; F462-L477 HydrophobicContact CD2-CD1 4.16Å; F462-L477 HydrophobicContact CE2-CD1 4.45Å; F462-L477 HydrophobicContact CG-CD1 4.24Å; L464-L477 HydrophobicContact CD2-CD1 3.74Å; L464-L477 HydrophobicContact CG-CD1 4.49Å; D473-L477 WeakPolarHBondContact O-CG 3.49Å; D473-L477 PolarHBondContact O-N 2.91Å; V474-L477 WeakPolarHBondContact O-CB 3.47Å; V474-L477 PolarHBondContact O-N 3.07Å; L477-S479 VanDerWaalsContact C-N 3.34Å; L477-S479 PolarHBondContact O-N 2.92Å; L477-R480 PolarHBondContact O-N 3.4Å; L477-M481 WeakPolarHBondContact O-CG 3.46Å; L477-M481 PolarHBondContact O-N 3.48Å
478	V	87.6	Confident	77	Confident	11 Å²	11	78.2 Å²	78.2	7%	0.067	43%	0.428	C	S	.	.	H	α-helix	trans	-58.7	-46.5	177.5	169.7	0	0	0	0	110.8	S425 L428 V474 N475 R480 M481 Q482	S425-V478 WeakPolarHBondContact O-CG1 3.35Å; L428-V478 HydrophobicContact CB-CG2 3.82Å; L428-V478 HydrophobicContact CD1-CG2 4.46Å; V474-V478 HydrophobicContact CG1-CG2 4.47Å; V474-V478 WeakPolarHBondContact O-CG2 3.31Å; V474-V478 PolarHBondContact O-N 3.43Å; N475-V478 PolarHBondContact O-N 3.29Å; V478-R480 PolarHBondContact O-N 3.09Å; V478-M481 PolarHBondContact O-N 3.22Å; V478-Q482 WeakPolarHBondContact O-CG 3.4Å; V478-Q482 PolarHBondContact O-N 3.37Å
479	S	86.5	Confident	74.5	Confident	58 Å²	58	79.8 Å²	79.8	41%	0.406	43%	0.428	S	S	.	.	H	α-helix	trans	-60.7	-43.2	178.6	-56.9	0	0	0	0	111.8	N475 D476 L477 M481 Q482 D483	N475-S479 WeakPolarHBondContact O-CB 3.33Å; N475-S479 PolarHBondContact O-N 2.8Å; N475-S479 PolarHBondContact O-OG 3.42Å; D476-S479 PolarHBondContact O-N 2.67Å; L477-S479 VanDerWaalsContact C-N 3.34Å; L477-S479 PolarHBondContact O-N 2.92Å; S479-M481 VanDerWaalsContact C-N 3.33Å; S479-M481 PolarHBondContact O-N 2.82Å; S479-Q482 PolarHBondContact O-N 3.35Å; S479-D483 PolarHBondContact O-N 3.45Å
480	R	82.3	Confident	72.4	Confident	139 Å²	139	81.4 Å²	81.4	53%	0.525	43%	0.428	S	S	.	.	H	α-helix	trans	-64.1	-36	177	-70.4	170.3	-167.3	-179.8	8.6	113	D476 L477 V478 T486	D476-R480 VanDerWaalsContact O-CG 3.23Å; D476-R480 WeakPolarHBondContact O-CG 3.37Å; D476-R480 PolarHBondContact O-N 2.79Å; L477-R480 PolarHBondContact O-N 3.4Å; V478-R480 PolarHBondContact O-N 3.09Å; R480-T486 VanDerWaalsContact C-OG1 3.3Å; R480-T486 PolarHBondContact O-OG1 3.18Å
481	M	77.4	Confident	69.8	Low	74 Å²	74	90.7 Å²	90.7	37%	0.365	47%	0.469	S	S	.	.	H	α-helix	trans	-68.7	-40.5	176.1	-71.3	-178.8	72.4	0	0	111.8	L428 L477 V478 S479 G484 Y490	L428-M481 HydrophobicContact CD1-SD 3.53Å; L428-M481 VanDerWaalsContact CD1-SD 3.53Å; L428-M481 HydrophobicContact CG-SD 4.34Å; L477-M481 WeakPolarHBondContact O-CG 3.46Å; L477-M481 PolarHBondContact O-N 3.48Å; V478-M481 PolarHBondContact O-N 3.22Å; S479-M481 VanDerWaalsContact C-N 3.33Å; S479-M481 PolarHBondContact O-N 2.82Å; M481-G484 PolarHBondContact O-N 2.74Å; M481-Y490 HydrophobicContact CE-CE2 4.23Å
482	Q	75.3	Confident	67.1	Low	111 Å²	111	93 Å²	93	52%	0.519	48%	0.481	S	S	.	.	H	α-helix	trans	-67.9	-34.5	177.1	-68.9	178.2	4.9	0	0	112.6	V478 S479 G484	V478-Q482 WeakPolarHBondContact O-CG 3.4Å; V478-Q482 PolarHBondContact O-N 3.37Å; S479-Q482 PolarHBondContact O-N 3.35Å; Q482-G484 PolarHBondContact O-N 2.88Å; Q482-G484 VanDerWaalsContact O-N 3.12Å
483	D	68.5	Low	64.4	Low	101 Å²	101	98.2 Å²	98.2	54%	0.54	49%	0.49	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-1.4	177.2	-77.6	-15.7	0	0	0	114	S479 R485	S479-D483 PolarHBondContact O-N 3.45Å; D483-R485 HydrophobicContact CB-CG 4.38Å; D483-R485 PolarHBondContact O-N 3.04Å; D483-R485 VanDerWaalsContact O-N 3.08Å
484	G	59.4	Low	61.7	Low	65 Å²	65	101.5 Å²	101.5	67%	0.67	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.5	6.3	178.9	0	0	0	0	0	114.6	M481 Q482	M481-G484 PolarHBondContact O-N 2.74Å; Q482-G484 PolarHBondContact O-N 2.88Å; Q482-G484 VanDerWaalsContact O-N 3.12Å
485	R	46.7	Very low	59.3	Low	208 Å²	208	104.6 Å²	104.6	79%	0.785	55%	0.554	S	S	*	*			trans	-86.1	-6	-175.9	-65.8	-178.6	-164.7	163.7	7.9	113.8	D483	D483-R485 HydrophobicContact CB-CG 4.38Å; D483-R485 PolarHBondContact O-N 3.04Å; D483-R485 VanDerWaalsContact O-N 3.08Å
486	T	45.9	Very low	56.9	Low	54 Å²	54	105.2 Å²	105.2	33%	0.331	55%	0.551	S	S	.	*			trans	-129.4	88	177.2	29.3	0	0	0	0	110.9	R480 V488	R480-T486 VanDerWaalsContact C-OG1 3.3Å; R480-T486 PolarHBondContact O-OG1 3.18Å; T486-V488 VanDerWaalsContact CB-CG2 3.46Å; T486-V488 HydrophobicContact CG2-CG2 3.47Å; T486-V488 VanDerWaalsContact CG2-CG2 3.47Å; T486-V488 PolarHBondContact O-N 2.96Å
487	A	37.6	Very low	54.6	Low	112 Å²	112	105.8 Å²	105.8	93%	0.926	57%	0.567	S	S	*	*			trans	-73.4	73.8	155.6	0	0	0	0	0	108.2
488	V	41.4	Very low	52.3	Low	65 Å²	65	110 Å²	110	39%	0.394	59%	0.589	S	S	.	*			trans	-110.6	102	-171.6	174.5	0	0	0	0	109.2	T486	T486-V488 VanDerWaalsContact CB-CG2 3.46Å; T486-V488 HydrophobicContact CG2-CG2 3.47Å; T486-V488 VanDerWaalsContact CG2-CG2 3.47Å; T486-V488 PolarHBondContact O-N 2.96Å
489	Y	39.3	Very low	50.2	Low	218 Å²	218	114.9 Å²	114.9	86%	0.855	61%	0.611	S	S	*	*			trans	47.9	74.8	158.6	-59.5	-79.4	0	0	0	118.4
490	Y	44.9	Very low	48.1	Very low	91 Å²	91	117.5 Å²	117.5	36%	0.357	62%	0.62	S	S	.	*			trans	-101	103.8	147.4	-68.3	-85.1	0	0	0	108.5	V422 M481	V422-Y490 HydrophobicContact CB-CE1 4.08Å; V422-Y490 HydrophobicContact CG2-CD1 4.39Å; V422-Y490 HydrophobicContact CG2-CE1 3.8Å; V422-Y490 PolarHBondContact O-OH 3.45Å; M481-Y490 HydrophobicContact CE-CE2 4.23Å
491	K	37.9	Very low	46.1	Very low	204 Å²	204	118.2 Å²	118.2	89%	0.887	63%	0.629	S	S	*	*			trans	-80.6	123.7	172.1	-129.9	-179.6	-178	-178.3	0	107.3
492	N	35.5	Very low	44.6	Very low	152 Å²	152	122.2 Å²	122.2	81%	0.813	64%	0.644	S	S	*	*			trans	72.2	95.9	179	-77.3	-7.6	0	0	0	117.4
493	R	35.8	Very low	43.1	Very low	175 Å²	175	121.5 Å²	121.5	66%	0.66	64%	0.643	S	S	*	*			trans	-118.2	102.2	168.9	-125	-177.9	-178.2	177.2	-1	109.3	D423	D423-R493 IonicContact OD1-CZ 3.77Å; D423-R493 IonicContact OD1-NH2 2.87Å; D423-R493 PolarHBondContact OD1-NH2 2.76Å; D423-R493 IonicContact OD2-CZ 3.73Å; D423-R493 IonicContact OD2-NE 3.89Å; D423-R493 IonicContact OD2-NH2 2.76Å; D423-R493 PolarHBondContact OD2-NH2 2.82Å
494	A	35.2	Very low	41.6	Very low	107 Å²	107	121.6 Å²	121.6	88%	0.884	65%	0.65	S	S	*	*			trans	-166.4	105.9	163.6	0	0	0	0	0	109.1
495	G	40.6	Very low	40.5	Very low	65 Å²	65	121.2 Å²	121.2	67%	0.67	64%	0.641	S	S	*	*	S	Bend	trans	170.2	-48.7	169.1	0	0	0	0	0	118.6
496	Y	40.5	Very low	40	Very low	95 Å²	95	116 Å²	116	37%	0.373	63%	0.634	S	S	.	*	G	3₁₀ helix	trans	-99.7	-9.2	-153.1	-91.5	-81.9	0	0	0	118.7	L498	Y496-L498 VanDerWaalsContact C-N 3.25Å; Y496-L498 PolarHBondContact O-N 3.32Å
497	A	40.6	Very low	39.6	Very low	88 Å²	88	121 Å²	121	73%	0.727	66%	0.659	S	S	*	*	G	3₁₀ helix	trans	-74.1	-8.6	-175.7	0	0	0	0	0	115.1
498	L	40.4	Very low	39.7	Very low	116 Å²	116	123.2 Å²	123.2	61%	0.607	66%	0.655	S	S	*	*	G	3₁₀ helix	trans	-97.8	-11.9	-171.6	-95.9	145.1	0	0	0	115.3	Y496	Y496-L498 VanDerWaalsContact C-N 3.25Å; Y496-L498 PolarHBondContact O-N 3.32Å
499	E	43.2	Very low	39.5	Very low	115 Å²	115	124.7 Å²	124.7	54%	0.537	67%	0.668	S	S	.	*	H	α-helix	trans	-90	-29.8	-177.3	-81.1	-175.7	159.7	0	0	113.8	I503	E499-I503 WeakPolarHBondContact O-CG1 3.42Å
500	L	41.4	Very low	39.1	Very low	113 Å²	113	122.7 Å²	122.7	59%	0.592	67%	0.672	S	S	*	*	H	α-helix	trans	-71.2	-34.8	178.2	-73.6	168.8	0	0	0	112.6	L325 C504	L325-L500 HydrophobicContact CD1-CD2 3.73Å; L500-C504 PolarHBondContact O-N 2.82Å
501	E	40.1	Very low	38.5	Very low	154 Å²	154	126.7 Å²	126.7	72%	0.72	73%	0.725	S	S	*	*	H	α-helix	trans	-73.4	-27.9	178.7	-71.4	-174.2	164.7	0	0	113.3
502	K	46.2	Very low	38.5	Very low	157 Å²	157	122.9 Å²	122.9	68%	0.683	72%	0.716	S	S	*	*	H	α-helix	trans	-77.7	-22	-179.8	-75.3	-178.1	178.5	-179	0	113.9
503	I	43.8	Very low	38.7	Very low	97 Å²	97	121.3 Å²	121.3	50%	0.497	71%	0.711	S	S	.	*	H	α-helix	trans	-94.8	-21.1	-177.5	-60.5	170	0	0	0	111.2	E499 A505	E499-I503 WeakPolarHBondContact O-CG1 3.42Å; I503-A505 VanDerWaalsContact C-N 3.34Å
504	C	38	Very low	38.9	Very low	102 Å²	102	118.3 Å²	118.3	69%	0.689	71%	0.714	S	S	*	*	S	Bend	trans	-85.6	-1	173.6	-71	0	0	0	0	114.4	L500	L500-C504 PolarHBondContact O-N 2.82Å
505	A	35.1	Very low	39.1	Very low	57 Å²	57	119 Å²	119	47%	0.471	70%	0.704	S	S	.	*	S	Bend	trans	-78.5	126.4	168.7	0	0	0	0	0	108.9	I503 D507	I503-A505 VanDerWaalsContact C-N 3.34Å; A505-D507 PolarHBondContact O-N 3.18Å
506	P	36.2	Very low	39	Very low	100 Å²	100	122.4 Å²	122.4	65%	0.649	71%	0.706	S	S	*	*			trans	-60.2	135.3	166.8	26.1	-30.6	0	0	0	108.4	D508	P506-D508 PolarHBondContact O-N 3.14Å
507	D	38.9	Very low	38.9	Very low	159 Å²	159	124.2 Å²	124.2	85%	0.85	73%	0.729	S	S	*	*			trans	-62.9	84.8	168.9	-80	-35.8	0	0	0	108.9	A505 S509	A505-D507 PolarHBondContact O-N 3.18Å; D507-S509 PolarHBondContact O-N 3Å
508	D	38.4	Very low	38.7	Very low	158 Å²	158	126.8 Å²	126.8	85%	0.845	73%	0.729	S	S	*	*			trans	-74.2	69.3	161.8	-78.4	-28.4	0	0	0	108.1	P506	P506-D508 PolarHBondContact O-N 3.14Å
509	S	37.3	Very low	38.6	Very low	95 Å²	95	127.6 Å²	127.6	66%	0.664	74%	0.738	S	S	*	*			trans	-130	66.7	165	68.1	0	0	0	0	109.6	D507	D507-S509 PolarHBondContact O-N 3Å
510	N	32.4	Very low	38.2	Very low	176 Å²	176	128.7 Å²	128.7	94%	0.941	76%	0.755	S	S	*	*			trans	-97.8	104	150.3	-97.6	-20.3	0	0	0	107.3
511	A	31.2	Very low	38	Very low	176 Å²	176	130.1 Å²	130.1	100%	1.455	77%	0.77	S	S	*	*			trans	-128.1	0	153.7	0	0	0	0	0	107.1

Retrieved 511 of 511 residues in 255.9 ms (Link to these results)

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