C4QKR1_SCHMA Loading...

TATA-binding protein-related

AlphaFold DB (A0A5K4EHM6), UniProt , Accession C4QKR1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 646 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	37.5	Very low	34.9	Very low	250 Å²	250	150.5 Å²	150.5	100%	1.232	82%	0.821	S	S	*	*				0	121.6	0	-82.6	175.8	165.3	0	0	107.4
2	Q	28.2	Very low	35.1	Very low	180 Å²	180	153.7 Å²	153.7	84%	0.841	83%	0.826	S	S	*	*			trans	-69.2	159.8	-175.2	-79.5	154	-33	0	0	112.9
3	T	35.7	Very low	35.1	Very low	123 Å²	123	150.8 Å²	150.8	76%	0.755	82%	0.817	S	S	*	*				146.5	107.1	127.2	53	0	0	0	0	108.4
4	N	34.6	Very low	35.2	Very low	151 Å²	151	152.4 Å²	152.4	81%	0.807	82%	0.817	S	S	*	*				70.7	130.3	95.9	-86.1	10.3	0	0	0	110.6
5	E	36.2	Very low	35.1	Very low	153 Å²	153	151.9 Å²	151.9	72%	0.715	81%	0.814	S	S	*	*			cis	-167.8	149.9	45.7	-67.2	-179.1	148.4	0	0	109
6	H	38	Very low	35.1	Very low	149 Å²	149	151.8 Å²	151.8	69%	0.69	81%	0.811	S	S	*	*				173.2	105.9	113.6	-94.8	63.1	0	0	0	112.1
7	I	37	Very low	34.9	Very low	139 Å²	139	148.9 Å²	148.9	71%	0.713	81%	0.806	S	S	*	*			trans	56.3	103.3	134.3	-46.4	176.7	0	0	0	118.4
8	N	34.3	Very low	34.8	Very low	169 Å²	169	150.7 Å²	150.7	90%	0.904	81%	0.805	S	S	*	*			trans	-161.4	111.3	141.6	-92.9	-21.5	0	0	0	109.1
9	G	35	Very low	34.7	Very low	67 Å²	67	149.6 Å²	149.6	69%	0.691	80%	0.796	S	S	*	*			trans	-95.6	165.6	172.2	0	0	0	0	0	111.3
10	T	34.4	Very low	34.5	Very low	149 Å²	149	150.4 Å²	150.4	91%	0.914	80%	0.795	S	S	*	*			cis	-166.2	137	-4.8	11.7	0	0	0	0	105.1
11	T	32.7	Very low	34.4	Very low	125 Å²	125	148.8 Å²	148.8	77%	0.767	80%	0.796	S	S	*	*			trans	-97.5	144.9	176.4	38.5	0	0	0	0	111.1
12	E	37.5	Very low	34	Very low	189 Å²	189	140.5 Å²	140.5	88%	0.883	78%	0.775	S	S	*	*			trans	-152.8	112.6	146.8	-62.8	-171.7	169.7	0	0	105.9
13	T	34.8	Very low	34.2	Very low	116 Å²	116	137.9 Å²	137.9	71%	0.712	77%	0.771	S	S	*	*			cis	100.2	143.2	47.6	48.8	0	0	0	0	114
14	E	36.8	Very low	34.2	Very low	173 Å²	173	138.6 Å²	138.6	81%	0.808	77%	0.77	S	S	*	*			trans	89.4	133.4	162.4	-49.6	-175.1	-179	0	0	117.6
15	D	33.3	Very low	34.5	Very low	146 Å²	146	139.6 Å²	139.6	78%	0.781	77%	0.774	S	S	*	*			cis	-175.7	174.9	-21.2	-106.4	-21.5	0	0	0	107
16	I	36.2	Very low	34.7	Very low	150 Å²	150	139.3 Å²	139.3	77%	0.769	78%	0.777	S	S	*	*			trans	97.5	79.9	155.2	-40.5	-173.5	0	0	0	119
17	S	31.7	Very low	35	Very low	102 Å²	102	138.6 Å²	138.6	71%	0.713	78%	0.778	S	S	*	*				55.2	127.6	117	83.2	0	0	0	0	124.7
18	F	32	Very low	35.4	Very low	182 Å²	182	141.5 Å²	141.5	80%	0.798	79%	0.785	S	S	*	*				99.9	114.1	124.1	-126	-114.3	0	0	0	121.5
19	M	33.2	Very low	35.7	Very low	130 Å²	130	140.8 Å²	140.8	64%	0.64	78%	0.781	S	S	*	*			trans	78.6	108.1	142.9	-84.5	-164.9	146	0	0	123.2
20	E	31.5	Very low	35.7	Very low	164 Å²	164	144.5 Å²	144.5	77%	0.766	79%	0.785	S	S	*	*				73.6	95.5	115.6	-144	171.5	-145.2	0	0	119
21	S	30.9	Very low	35.8	Very low	118 Å²	118	143.6 Å²	143.6	83%	0.825	78%	0.779	S	S	*	*				167.7	136	118.4	47.1	0	0	0	0	109.8
22	G	29.5	Very low	35.9	Very low	75 Å²	75	142 Å²	142	77%	0.773	77%	0.774	S	S	*	*			trans	-90.8	125.5	-172.9	0	0	0	0	0	112.9
23	T	32.2	Very low	35.8	Very low	125 Å²	125	139 Å²	139	77%	0.767	76%	0.764	S	S	*	*			trans	-165.8	164.7	148.6	29.3	0	0	0	0	105.2
24	D	35.8	Very low	35.8	Very low	138 Å²	138	140.1 Å²	140.1	74%	0.738	77%	0.77	S	S	*	*			trans	96.6	57.3	171.4	-40.6	-17	0	0	0	117.2
25	I	42.3	Very low	36	Very low	173 Å²	173	140.5 Å²	140.5	89%	0.887	77%	0.772	S	S	*	*	S	Bend	trans	-128.9	37.8	152.5	-58.1	166.4	0	0	0	110.3
26	L	39.1	Very low	36	Very low	147 Å²	147	141 Å²	141	77%	0.77	78%	0.775	S	S	*	*	S	Bend	trans	-139.5	20	-177.6	-106.9	160.3	0	0	0	115.6
27	D	44.2	Very low	36.1	Very low	133 Å²	133	142.4 Å²	142.4	71%	0.711	78%	0.778	S	S	*	*			trans	-105.8	0.2	179.1	-99.9	0.2	0	0	0	115.4	L29	D27-L29 PolarHBondContact O-N 3.31Å
28	F	45.9	Very low	36.6	Very low	200 Å²	200	144.8 Å²	144.8	88%	0.877	78%	0.783	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.8	10.3	-177.4	-151.8	-100.4	0	0	0	114.7
29	L	40.2	Very low	37.1	Very low	154 Å²	154	143.1 Å²	143.1	81%	0.806	79%	0.787	S	S	*	*	T	Hydrogen-bonded Turn	trans	-127.4	12.9	-174.6	-70.8	177.7	0	0	0	115.4	D27	D27-L29 PolarHBondContact O-N 3.31Å
30	N	35.5	Very low	37.1	Very low	145 Å²	145	146.2 Å²	146.2	78%	0.775	80%	0.797	S	S	*	*	S	Bend	trans	-118.9	23.8	-179.1	-80.6	-18.8	0	0	0	114.5
31	T	36.4	Very low	37.4	Very low	130 Å²	130	145 Å²	145	80%	0.798	80%	0.796	S	S	*	*	S	Bend	trans	-125	65.2	179.7	-32.5	0	0	0	0	111.7
32	S	35.5	Very low	38	Very low	93 Å²	93	146.4 Å²	146.4	65%	0.65	79%	0.793	S	S	*	*	S	Bend	trans	-178.1	96.4	159.3	52.3	0	0	0	0	107.6
33	D	35.8	Very low	38.5	Very low	126 Å²	126	150.3 Å²	150.3	67%	0.674	79%	0.794	S	S	*	*	S	Bend	trans	165.7	62	152.1	-79.7	-22.5	0	0	0	109.7	Y611	D33-Y611 PolarHBondContact OD1-OH 3.31Å
34	T	34.3	Very low	38.5	Very low	138 Å²	138	147.2 Å²	147.2	85%	0.847	79%	0.787	S	S	*	*			trans	-160.5	76.1	163.7	40.7	0	0	0	0	110.7
35	E	40	Very low	38.5	Very low	182 Å²	182	148.7 Å²	148.7	85%	0.85	80%	0.795	S	S	*	*			trans	-149.8	138.5	158.2	-65.1	-169.7	179.8	0	0	110
36	N	34.7	Very low	38.1	Very low	157 Å²	157	147.7 Å²	147.7	84%	0.84	79%	0.787	S	S	*	*			trans	103.7	63.6	170.4	-50.7	-43.5	0	0	0	117.8
37	E	37.5	Very low	38	Very low	179 Å²	179	146.3 Å²	146.3	84%	0.836	79%	0.786	S	S	*	*			trans	-97	155.1	130.6	-70.2	-101.6	148.3	0	0	106.6
38	D	41.5	Very low	37.3	Very low	151 Å²	151	146.5 Å²	146.5	81%	0.807	79%	0.787	S	S	*	*			trans	89.1	72.7	174.3	-50	-32.8	0	0	0	119.4
39	V	42.3	Very low	36.8	Very low	148 Å²	148	146.2 Å²	146.2	90%	0.897	79%	0.786	S	S	*	*			trans	-145.1	87.8	139.5	-170.5	0	0	0	0	109.8
40	K	35	Very low	36.5	Very low	194 Å²	194	143.7 Å²	143.7	84%	0.843	78%	0.781	S	S	*	*			trans	-101.8	119.5	153.5	-95.5	177.9	176.1	171.9	0	106.2
41	D	37.7	Very low	36.6	Very low	138 Å²	138	143.4 Å²	143.4	74%	0.738	79%	0.785	S	S	*	*			trans	157	137.5	139.5	-80.1	-15.1	0	0	0	112.5
42	I	41.9	Very low	36.7	Very low	149 Å²	149	146 Å²	146	76%	0.764	79%	0.788	S	S	*	*			trans	86.6	95.6	155.9	-55.2	146	0	0	0	117.1
43	I	40.4	Very low	36.8	Very low	157 Å²	157	150.8 Å²	150.8	81%	0.805	80%	0.8	S	S	*	*				169.7	116.9	113.3	-80	151.9	0	0	0	108.6
44	G	32.4	Very low	36.8	Very low	59 Å²	59	152.2 Å²	152.2	61%	0.608	81%	0.807	S	S	*	*			trans	-79.7	156.2	171.7	0	0	0	0	0	113
45	N	36.8	Very low	36.8	Very low	169 Å²	169	151.4 Å²	151.4	90%	0.904	80%	0.804	S	S	*	*			trans	-172.3	111	140.4	-90.9	-17	0	0	0	109.1
46	E	32.1	Very low	36.2	Very low	153 Å²	153	148.5 Å²	148.5	72%	0.715	80%	0.803	S	S	*	*			trans	-67	151.8	153.9	-97.9	-98.1	159	0	0	109	D48	E46-D48 PolarHBondContact OE2-N 3.42Å
47	P	37	Very low	36.1	Very low	118 Å²	118	147.4 Å²	147.4	77%	0.766	80%	0.797	S	S	*	*				-151.9	151.5	72.7	36.6	-15.2	0	0	0	118.5
48	D	30.7	Very low	36.1	Very low	136 Å²	136	147.2 Å²	147.2	73%	0.727	80%	0.796	S	S	*	*			trans	7.7	126.4	142.7	-66.6	-40.1	0	0	0	120.9	E46	E46-D48 PolarHBondContact OE2-N 3.42Å
49	K	35.1	Very low	35.8	Very low	195 Å²	195	148.1 Å²	148.1	85%	0.848	80%	0.796	S	S	*	*				174.8	118.1	117.6	-113.9	179.3	171.5	177.9	0	114.6
50	S	33.8	Very low	35.9	Very low	100 Å²	100	144.6 Å²	144.6	70%	0.699	78%	0.782	S	S	*	*			trans	22.9	118.3	142.7	60.7	0	0	0	0	120
51	T	36.9	Very low	36.8	Very low	140 Å²	140	138.4 Å²	138.4	86%	0.859	76%	0.763	S	S	*	*			trans	-146.2	130.6	142.3	-53.9	0	0	0	0	108.8
52	E	39.8	Very low	38.3	Very low	185 Å²	185	134.7 Å²	134.7	86%	0.864	75%	0.748	S	S	*	*			trans	-64.4	140.4	-171.5	-61.8	165.6	165	0	0	112.1	D54	E52-D54 PolarHBondContact O-N 3.32Å
53	E	36.5	Very low	40.3	Very low	192 Å²	192	128 Å²	128	90%	0.897	71%	0.714	S	S	*	*			trans	-83.8	107	173.9	-62.2	-167.9	-178.4	0	0	110
54	D	36.7	Very low	42.5	Very low	156 Å²	156	123.6 Å²	123.6	83%	0.834	69%	0.694	S	S	*	*			trans	-72.9	123.2	164.9	-92.2	-38.5	0	0	0	110.3	E52 C56	E52-D54 PolarHBondContact O-N 3.32Å; D54-C56 PolarHBondContact O-N 3.38Å; D54-C56 VanDerWaalsContact O-N 3.15Å
55	P	34.8	Very low	45.3	Very low	121 Å²	121	121.1 Å²	121.1	79%	0.786	67%	0.667	S	S	*	*			trans	-88.1	80.3	177.5	34.9	-30.9	0	0	0	110.1
56	C	26.8	Very low	48	Very low	122 Å²	122	115.1 Å²	115.1	82%	0.824	64%	0.638	S	S	*	*			trans	-146.9	62.3	170.7	-84.2	0	0	0	0	111.3	D54	D54-C56 PolarHBondContact O-N 3.38Å; D54-C56 VanDerWaalsContact O-N 3.15Å
57	N	31.7	Very low	51	Low	133 Å²	133	108.7 Å²	108.7	71%	0.711	61%	0.609	S	S	*	*			trans	-108.6	79.7	163.2	-166.1	35.8	0	0	0	109.1	E59	N57-E59 PolarHBondContact O-N 3.43Å; N57-E59 VanDerWaalsContact O-N 3.07Å
58	E	37.4	Very low	53.7	Low	176 Å²	176	105.9 Å²	105.9	82%	0.822	59%	0.589	S	S	*	*			trans	-58.3	110.5	163.5	-68.9	-174.7	163.9	0	0	108	A60	E58-A60 PolarHBondContact O-N 3.46Å
59	E	36.8	Very low	56.8	Low	170 Å²	170	101.3 Å²	101.3	79%	0.794	57%	0.565	S	S	*	*			trans	-62.4	98.1	-179	-62.7	-153.8	160.4	0	0	110.2	N57 S61	N57-E59 PolarHBondContact O-N 3.43Å; N57-E59 VanDerWaalsContact O-N 3.07Å; E59-S61 PolarHBondContact O-N 3.46Å
60	A	43	Very low	59.7	Low	73 Å²	73	92 Å²	92	60%	0.603	52%	0.524	S	S	*	.			trans	-53.9	114.5	167.3	0	0	0	0	0	107.7	E58 S62	E58-A60 PolarHBondContact O-N 3.46Å; A60-S62 PolarHBondContact O-N 3.15Å
61	S	54.2	Low	62.6	Low	65 Å²	65	88.4 Å²	88.4	46%	0.455	50%	0.498	S	S	.	.			trans	-61.4	94.6	-164.7	-29.2	0	0	0	0	110.4	E59 L63 Y599	E59-S61 PolarHBondContact O-N 3.46Å; S61-L63 PolarHBondContact O-N 3.25Å; S61-Y599 VanDerWaalsContact O-CD1 3.23Å; S61-Y599 WeakPolarHBondContact O-CD1 3.39Å
62	S	69.8	Low	65.5	Low	60 Å²	60	81.8 Å²	81.8	42%	0.42	46%	0.457	S	S	.	.	P	Polyproline II helix	trans	-79	126.6	-176.6	67	0	0	0	0	109.7	A60 P600	A60-S62 PolarHBondContact O-N 3.15Å; S62-P600 CarbonylContact C-O 3.35Å; S62-P600 WeakPolarHBondContact CA-O 3.45Å; S62-P600 WeakPolarHBondContact CB-O 3.49Å
63	L	82.8	Confident	68.2	Low	9 Å²	9	74 Å²	74	5%	0.047	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	116.9	-179.3	-176.9	63.3	0	0	0	110	S61 C163 K164 L165 V226 V230 P600 I601 R602	S61-L63 PolarHBondContact O-N 3.25Å; L63-C163 WeakPolarHBondContact CD1-SG 3.46Å; L63-C163 VanDerWaalsContact CD2-SG 3.51Å; L63-C163 WeakPolarHBondContact CG-SG 3.03Å; L63-K164 WeakPolarHBondContact CD1-O 3.37Å; L63-L165 HydrophobicContact CD1-CD2 4.13Å; L63-L165 HydrophobicContact CD2-CD2 4.12Å; L63-V226 HydrophobicContact CD2-CG1 3.63Å; L63-V230 HydrophobicContact CD2-CG2 3.5Å; L63-P600 PolarHBondContact N-O 3.28Å; L63-I601 HydrophobicContact CB-CG1 4.34Å; L63-I601 HydrophobicContact CD2-CG1 4.38Å; L63-I601 CarbonylContact O-C 3.56Å; L63-I601 VanDerWaalsContact O-CA 3.23Å; L63-I601 WeakPolarHBondContact O-CA 3.34Å; L63-R602 PolarHBondContact O-N 2.97Å
64	T	87.2	Confident	71.1	Confident	64 Å²	64	64.9 Å²	64.9	39%	0.393	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	120.9	-176.6	-60.6	0	0	0	0	112.4	R602 S604	T64-R602 CarbonylContact C-O 3.57Å; T64-R602 VanDerWaalsContact CA-O 3.29Å; T64-R602 WeakPolarHBondContact CA-O 3.46Å; T64-S604 WeakPolarHBondContact CG2-OG 3.44Å
65	L	91.7	Very high	74	Confident	7 Å²	7	58.1 Å²	58.1	4%	0.037	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	122.1	171.5	-74.3	176.4	0	0	0	111.1	C163 I214 V226 I601 R602 L603 S604	L65-C163 HydrophobicContact CD2-CB 3.57Å; L65-C163 WeakPolarHBondContact CD2-SG 3.37Å; L65-I214 HydrophobicContact CD2-CD1 4.19Å; L65-V226 HydrophobicContact CD1-CG2 4.37Å; L65-V226 HydrophobicContact CD2-CG2 3.93Å; L65-I601 HydrophobicContact CB-CG2 4.36Å; L65-I601 HydrophobicContact CD1-CG2 3.39Å; L65-I601 HydrophobicContact CG-CG2 3.62Å; L65-R602 PolarHBondContact N-O 3.34Å; L65-L603 HydrophobicContact CB-CD2 3.98Å; L65-L603 HydrophobicContact CD1-CD2 4.46Å; L65-S604 PolarHBondContact O-N 2.97Å; L65-S604 VanDerWaalsContact O-N 3.1Å; L65-S604 PolarHBondContact O-OG 2.88Å
66	S	92.9	Very high	76.9	Confident	43 Å²	43	52.4 Å²	52.4	30%	0.301	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	127.6	178.2	-178.5	0	0	0	0	111.5	A161 T162	S66-A161 CarbonylContact O-C 3.14Å; S66-A161 VanDerWaalsContact O-CA 3.3Å; S66-A161 WeakPolarHBondContact O-CA 3.18Å; S66-T162 PolarHBondContact N-O 2.99Å; S66-T162 PolarHBondContact O-N 2.88Å; S66-T162 PolarHBondContact O-OG1 3.24Å
67	I	94.7	Very high	80.2	Confident	18 Å²	18	52.1 Å²	52.1	9%	0.092	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	120.2	175.8	-60	172.6	0	0	0	108.8	V70 I159 L219	I67-V70 HydrophobicContact CG2-CG2 3.7Å; I67-I159 HydrophobicContact CG1-CG2 4.44Å; I67-I159 HydrophobicContact CG2-CG2 4.07Å; I67-L219 HydrophobicContact CD1-CD1 4.45Å
68	T	94.4	Very high	83.2	Confident	58 Å²	58	46.7 Å²	46.7	36%	0.356	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	-36.1	-179.4	55.5	0	0	0	0	112.5	M160 T162	T68-M160 PolarHBondContact N-O 3.42Å; T68-M160 WeakPolarHBondContact OG1-CG 3.34Å; T68-M160 PolarHBondContact OG1-O 3.24Å; T68-T162 HydrophobicContact CG2-CG2 3.55Å; T68-T162 WeakPolarHBondContact CG2-OG1 3.3Å
69	N	95.6	Very high	86	Confident	41 Å²	41	45 Å²	45	22%	0.219	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	139.6	-178.8	-175.2	26.1	0	0	0	111.7	G124 A125 M160	N69-G124 WeakPolarHBondContact OD1-CA 3.23Å; N69-G124 PolarHBondContact OD1-N 3.16Å; N69-A125 CarbonylContact C-O 3.46Å; N69-A125 WeakPolarHBondContact CA-O 3.48Å; N69-M160 HydrophobicContact CB-CB 4.16Å; N69-M160 PolarHBondContact N-O 3.07Å; N69-M160 PolarHBondContact O-N 3.44Å
70	V	95.4	Very high	88.8	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	126.1	171.1	-175.4	0	0	0	0	108.7	I67 V72 A125 L128 A131 V156	I67-V70 HydrophobicContact CG2-CG2 3.7Å; V70-V72 HydrophobicContact CG1-CG1 3.72Å; V70-A125 PolarHBondContact N-O 3.35Å; V70-L128 HydrophobicContact CG1-CD2 3.77Å; V70-L128 HydrophobicContact CG2-CD2 4.15Å; V70-A131 HydrophobicContact CB-CB 4.07Å; V70-A131 HydrophobicContact CG1-CB 3.96Å; V70-V156 HydrophobicContact CG1-CG1 4.01Å
71	V	96	Very high	91.4	Very high	24 Å²	24	41.6 Å²	41.6	15%	0.145	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	121.2	173.1	-177	0	0	0	0	108.4	W121 C122 T123 V157 N158	V71-W121 HydrophobicContact CG1-CE3 4.23Å; V71-C122 WeakPolarHBondContact CA-O 3.39Å; V71-T123 HydrophobicContact CB-CG2 4.45Å; V71-T123 HydrophobicContact CG1-CG2 4.04Å; V71-T123 HydrophobicContact CG2-CG2 4.06Å; V71-V157 HydrophobicContact CB-CB 4.49Å; V71-V157 HydrophobicContact CG1-CB 4.14Å; V71-V157 PolarHBondContact O-N 3.18Å; V71-N158 HydrophobicContact CB-CB 4.25Å; V71-N158 HydrophobicContact CG2-CB 4.43Å; V71-N158 PolarHBondContact N-O 3.47Å; V71-N158 PolarHBondContact O-N 2.8Å
72	V	96.9	Very high	93.4	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.006	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	151.1	179.4	-56.2	0	0	0	0	110.6	V70 W121 C122 A131 A135 Y154 R155 V156	V70-V72 HydrophobicContact CG1-CG1 3.72Å; V72-W121 CarbonylContact O-C 3.48Å; V72-W121 WeakPolarHBondContact O-CA 3.12Å; V72-C122 HydrophobicContact CG2-CB 3.59Å; V72-C122 PolarHBondContact N-O 2.89Å; V72-C122 PolarHBondContact O-N 3.07Å; V72-A131 HydrophobicContact CG1-CB 3.79Å; V72-A131 HydrophobicContact CG2-CB 4.46Å; V72-A135 HydrophobicContact CG2-CB 4.31Å; V72-Y154 HydrophobicContact CB-CE2 3.86Å; V72-Y154 HydrophobicContact CG1-CE2 4.08Å; V72-Y154 HydrophobicContact CG2-CE2 3.98Å; V72-R155 WeakPolarHBondContact CA-O 3.37Å; V72-V156 HydrophobicContact CG1-CG2 4.26Å
73	M	97.1	Very high	94.6	Very high	21 Å²	21	43.2 Å²	43.2	10%	0.103	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	140.4	172.3	-175.3	-88.1	-79.7	0	0	109.2	I120 Y154 R155 V157	M73-I120 WeakPolarHBondContact CA-O 3.23Å; M73-Y154 CarbonylContact O-C 3.6Å; M73-Y154 WeakPolarHBondContact O-CA 3.15Å; M73-R155 HydrophobicContact CB-CG 4.27Å; M73-R155 HydrophobicContact CE-CG 4.23Å; M73-R155 VanDerWaalsContact CE-NH2 3.27Å; M73-R155 PolarHBondContact N-O 3.31Å; M73-R155 PolarHBondContact O-N 2.9Å; M73-V157 HydrophobicContact CB-CG2 3.69Å
74	A	97.5	Very high	95.2	Very high	1 Å²	1	46.4 Å²	46.4	1%	0.008	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	168.1	170.3	0	0	0	0	0	109.9	I120 F151 Y154	A74-I120 HydrophobicContact CB-CD1 3.98Å; A74-I120 HydrophobicContact CB-CG1 3.75Å; A74-I120 PolarHBondContact N-O 3.33Å; A74-I120 WeakPolarHBondContact O-CG1 3.3Å; A74-I120 PolarHBondContact O-N 3.35Å; A74-F151 HydrophobicContact CB-CD2 4.25Å; A74-F151 HydrophobicContact CB-CE2 3.58Å; A74-F151 HydrophobicContact CB-CZ 3.92Å; A74-Y154 HydrophobicContact CB-CD2 4.38Å
75	S	97.3	Very high	95.7	Very high	14 Å²	14	43.4 Å²	43.4	10%	0.098	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	135.4	178.2	-175.7	0	0	0	0	110.3	Q77 S152	S75-Q77 PolarHBondContact OG-N 2.75Å; S75-S152 PolarHBondContact N-O 3.03Å; S75-S152 PolarHBondContact O-N 2.89Å; S75-S152 VanDerWaalsContact O-O 3.13Å; S75-S152 PolarHBondContact O-OG 2.89Å; S75-S152 VanDerWaalsContact O-OG 3.05Å
76	L	96.7	Very high	95.9	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.219	C	C	.	.			trans	-90.4	-2.4	177.5	-59.7	-174.5	0	0	0	113.7	C78 L80 G118 I120 A139 I142 C149 H150 F151	L76-C78 PolarHBondContact O-N 3.34Å; L76-L80 HydrophobicContact CD1-CD1 4.15Å; L76-G118 PolarHBondContact N-O 3Å; L76-I120 HydrophobicContact CD1-CG2 3.93Å; L76-I120 HydrophobicContact CD2-CD1 4.17Å; L76-I120 HydrophobicContact CG-CG2 4.05Å; L76-A139 HydrophobicContact CD2-CB 3.55Å; L76-I142 HydrophobicContact CD1-CB 4.19Å; L76-I142 HydrophobicContact CD1-CD1 3.48Å; L76-I142 VanDerWaalsContact CD1-CD1 3.48Å; L76-I142 HydrophobicContact CD1-CG1 4.44Å; L76-I142 HydrophobicContact CD1-CG2 3.95Å; L76-C149 HydrophobicContact CB-CB 4.06Å; L76-C149 HydrophobicContact CD1-CB 4.34Å; L76-C149 HydrophobicContact CD2-CB 4.44Å; L76-H150 CarbonylContact C-O 3.42Å; L76-H150 WeakPolarHBondContact CA-O 3.26Å; L76-H150 PolarHBondContact O-N 3.49Å; L76-F151 HydrophobicContact CD2-CD2 4.37Å
77	Q	95.3	Very high	96	Very high	117 Å²	117	53 Å²	53	55%	0.547	25%	0.245	S	C	.	.	S	Bend	trans	53	20.2	-179.5	-53	-166.9	-11.1	0	0	116.4	S75 H150 S152	S75-Q77 PolarHBondContact OG-N 2.75Å; Q77-H150 HydrophobicContact CB-CB 4.47Å; Q77-S152 WeakPolarHBondContact CG-OG 3.37Å; Q77-S152 PolarHBondContact NE2-OG 3.31Å
78	C	95.2	Very high	96	Very high	18 Å²	18	56.3 Å²	56.3	12%	0.122	27%	0.266	C	S	.	.	S	Bend	trans	-134.7	154.1	177.7	64.7	0	0	0	0	111.6	L76 L80 G118 P148	L76-C78 PolarHBondContact O-N 3.34Å; C78-L80 VanDerWaalsContact SG-CD2 3.56Å; C78-G118 VanDerWaalsContact O-CA 3.28Å; C78-G118 WeakPolarHBondContact O-CA 3.2Å; C78-G118 PolarHBondContact O-N 3.34Å; C78-P148 VanDerWaalsContact CB-O 3.25Å; C78-P148 WeakPolarHBondContact CB-O 3.16Å
79	H	95.9	Very high	96	Very high	140 Å²	140	54.6 Å²	54.6	65%	0.648	26%	0.257	S	S	*	.			trans	-80.5	126.6	173.6	-173.9	-82.5	0	0	0	109.9	S116	H79-S116 WeakPolarHBondContact CA-O 3.45Å
80	L	96.2	Very high	95.9	Very high	1 Å²	1	57.3 Å²	57.3	1%	0.005	27%	0.274	C	S	.	.			trans	-105.8	131.3	-174.4	-61.6	178.8	0	0	0	111.4	L76 C78 L82 I85 I114 S116 I142 F147	L76-L80 HydrophobicContact CD1-CD1 4.15Å; C78-L80 VanDerWaalsContact SG-CD2 3.56Å; L80-L82 HydrophobicContact CB-CD2 4.34Å; L80-L82 PolarHBondContact O-N 3.49Å; L80-I85 HydrophobicContact CB-CD1 3.88Å; L80-I85 HydrophobicContact CD1-CD1 4Å; L80-I85 HydrophobicContact CD2-CD1 4.2Å; L80-I85 HydrophobicContact CG-CD1 4.25Å; L80-I114 HydrophobicContact CD1-CG2 3.43Å; L80-I114 VanDerWaalsContact CD1-CG2 3.43Å; L80-S116 PolarHBondContact N-O 3.29Å; L80-I142 HydrophobicContact CD1-CG2 4.33Å; L80-I142 HydrophobicContact CD2-CG2 3.75Å; L80-F147 HydrophobicContact CD2-CB 3.89Å; L80-F147 HydrophobicContact CD2-CD1 3.91Å; L80-F147 HydrophobicContact CD2-CD2 4.29Å; L80-F147 HydrophobicContact CD2-CG 3.74Å
81	R	96.4	Very high	95.9	Very high	171 Å²	171	62.5 Å²	62.5	65%	0.645	30%	0.302	S	S	*	.			trans	-84.8	95.1	169.2	-68.3	177	178.7	177.8	1.7	109	K83 E84 I85 F147	R81-K83 VanDerWaalsContact C-N 3.31Å; R81-K83 PolarHBondContact O-N 3.06Å; R81-E84 HydrophobicContact CB-CB 3.96Å; R81-E84 VanDerWaalsContact CD-OE2 3.26Å; R81-E84 WeakPolarHBondContact CD-OE2 3.47Å; R81-E84 WeakPolarHBondContact O-CB 3.44Å; R81-E84 PolarHBondContact O-N 3.21Å; R81-I85 PolarHBondContact O-N 3.43Å; R81-I85 VanDerWaalsContact O-N 3.15Å; R81-F147 HydrophobicContact CB-CE1 4.02Å; R81-F147 HydrophobicContact CB-CZ 4Å; R81-F147 HydrophobicContact CG-CE1 4.41Å
82	L	96.7	Very high	95.9	Very high	13 Å²	13	62.8 Å²	62.8	7%	0.068	30%	0.304	C	S	.	.	H	α-helix	trans	-57.5	-38.2	-172.7	-64.8	-173.4	0	0	0	114.4	L80 E84 I85 A86 Y94 N99 V101 I114	L80-L82 HydrophobicContact CB-CD2 4.34Å; L80-L82 PolarHBondContact O-N 3.49Å; L82-E84 VanDerWaalsContact C-N 3.31Å; L82-E84 PolarHBondContact O-N 2.97Å; L82-I85 PolarHBondContact O-N 3.41Å; L82-A86 WeakPolarHBondContact O-CB 3.43Å; L82-A86 PolarHBondContact O-N 3.34Å; L82-Y94 HydrophobicContact CB-CD2 4.08Å; L82-Y94 HydrophobicContact CB-CE2 3.63Å; L82-Y94 HydrophobicContact CD1-CE2 4.09Å; L82-N99 VanDerWaalsContact CD1-O 3.24Å; L82-N99 WeakPolarHBondContact CD1-O 3.47Å; L82-V101 HydrophobicContact CB-CG2 3.66Å; L82-V101 HydrophobicContact CD1-CG2 4.4Å; L82-V101 HydrophobicContact CD2-CB 4.31Å; L82-V101 HydrophobicContact CD2-CG2 3.78Å; L82-V101 HydrophobicContact CG-CG2 4.13Å; L82-I114 HydrophobicContact CD2-CG2 4.41Å
83	K	95.5	Very high	95.9	Very high	146 Å²	146	65.8 Å²	65.8	64%	0.635	32%	0.318	S	S	*	.	H	α-helix	trans	-64.2	-36.2	176.9	-69.7	-177.4	179.8	179	0	112.4	R81 A86 R87 Y94	R81-K83 VanDerWaalsContact C-N 3.31Å; R81-K83 PolarHBondContact O-N 3.06Å; K83-A86 PolarHBondContact O-N 3.43Å; K83-R87 VanDerWaalsContact O-CG 3.3Å; K83-R87 WeakPolarHBondContact O-CG 3.26Å; K83-R87 PolarHBondContact O-N 3.35Å; K83-R87 VanDerWaalsContact O-N 3.15Å; K83-Y94 HydrophobicContact CG-CD1 4.46Å; K83-Y94 HydrophobicContact CG-CE1 3.9Å
84	E	95.4	Very high	95.9	Very high	77 Å²	77	68.2 Å²	68.2	36%	0.36	33%	0.326	S	S	.	.	H	α-helix	trans	-70.6	-45.5	179.2	-176.5	172.7	-174.7	0	0	110.4	R81 L82 A86 R87 T88 F147	R81-E84 HydrophobicContact CB-CB 3.96Å; R81-E84 VanDerWaalsContact CD-OE2 3.26Å; R81-E84 WeakPolarHBondContact CD-OE2 3.47Å; R81-E84 WeakPolarHBondContact O-CB 3.44Å; R81-E84 PolarHBondContact O-N 3.21Å; L82-E84 VanDerWaalsContact C-N 3.31Å; L82-E84 PolarHBondContact O-N 2.97Å; E84-A86 VanDerWaalsContact C-N 3.26Å; E84-A86 PolarHBondContact O-N 3.44Å; E84-R87 PolarHBondContact O-N 3.48Å; E84-T88 PolarHBondContact O-N 2.77Å; E84-T88 PolarHBondContact O-OG1 3.24Å; E84-T88 VanDerWaalsContact O-OG1 3.12Å; E84-F147 HydrophobicContact CB-CZ 4.19Å; E84-F147 HydrophobicContact CG-CZ 4.13Å
85	I	96.7	Very high	95.8	Very high	0 Å²	0	71.7 Å²	71.7	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-55.5	-44	172.6	-63.1	174	0	0	0	110.9	L80 R81 L82 R87 T88 S89 V101 M103 I142 F147	L80-I85 HydrophobicContact CB-CD1 3.88Å; L80-I85 HydrophobicContact CD1-CD1 4Å; L80-I85 HydrophobicContact CD2-CD1 4.2Å; L80-I85 HydrophobicContact CG-CD1 4.25Å; R81-I85 PolarHBondContact O-N 3.43Å; R81-I85 VanDerWaalsContact O-N 3.15Å; L82-I85 PolarHBondContact O-N 3.41Å; I85-R87 VanDerWaalsContact C-N 3.28Å; I85-R87 PolarHBondContact O-N 3.47Å; I85-T88 PolarHBondContact O-N 2.65Å; I85-S89 WeakPolarHBondContact O-CB 3.48Å; I85-S89 PolarHBondContact O-N 2.92Å; I85-S89 PolarHBondContact O-OG 2.99Å; I85-V101 HydrophobicContact CG2-CG1 4.39Å; I85-M103 HydrophobicContact CG2-CE 4.13Å; I85-I142 HydrophobicContact CD1-CG2 4.23Å; I85-F147 HydrophobicContact CD1-CD2 4.38Å; I85-F147 HydrophobicContact CD1-CE2 4.05Å; I85-F147 HydrophobicContact CG1-CD2 4.07Å; I85-F147 HydrophobicContact CG1-CE2 3.39Å; I85-F147 HydrophobicContact CG1-CZ 3.98Å
86	A	95.8	Very high	95.6	Very high	30 Å²	30	73.7 Å²	73.7	25%	0.248	36%	0.359	C	S	.	.	H	α-helix	trans	-68.1	-24.5	-179.8	0	0	0	0	0	114.2	L82 K83 E84 V92 Y94	L82-A86 WeakPolarHBondContact O-CB 3.43Å; L82-A86 PolarHBondContact O-N 3.34Å; K83-A86 PolarHBondContact O-N 3.43Å; E84-A86 VanDerWaalsContact C-N 3.26Å; E84-A86 PolarHBondContact O-N 3.44Å; A86-V92 HydrophobicContact CB-CG1 4.22Å; A86-Y94 HydrophobicContact CB-CG 4.49Å
87	R	95.3	Very high	95.5	Very high	223 Å²	223	82.2 Å²	82.2	84%	0.842	40%	0.403	S	S	*	.	H	α-helix	trans	-85	-37.9	176.3	-71.8	171.9	72.3	120.4	1.4	112	K83 E84 I85	K83-R87 VanDerWaalsContact O-CG 3.3Å; K83-R87 WeakPolarHBondContact O-CG 3.26Å; K83-R87 PolarHBondContact O-N 3.35Å; K83-R87 VanDerWaalsContact O-N 3.15Å; E84-R87 PolarHBondContact O-N 3.48Å; I85-R87 VanDerWaalsContact C-N 3.28Å; I85-R87 PolarHBondContact O-N 3.47Å
88	T	94.7	Very high	95.4	Very high	86 Å²	86	82.1 Å²	82.1	53%	0.528	40%	0.403	S	S	.	.	H	α-helix	trans	-87	-31.6	-174	-52.4	0	0	0	0	112.8	E84 I85 C145	E84-T88 PolarHBondContact O-N 2.77Å; E84-T88 PolarHBondContact O-OG1 3.24Å; E84-T88 VanDerWaalsContact O-OG1 3.12Å; I85-T88 PolarHBondContact O-N 2.65Å; T88-C145 HydrophobicContact CG2-CB 4.35Å
89	S	93.6	Very high	95.3	Very high	23 Å²	23	86 Å²	86	16%	0.161	42%	0.422	C	S	.	.	S	Bend	trans	-95.2	151.3	-176.7	-70.7	0	0	0	0	113.9	I85 V92 C145	I85-S89 WeakPolarHBondContact O-CB 3.48Å; I85-S89 PolarHBondContact O-N 2.92Å; I85-S89 PolarHBondContact O-OG 2.99Å; S89-V92 VanDerWaalsContact CB-CG2 3.41Å; S89-C145 PolarHBondContact OG-SG 3.15Å
90	V	94.3	Very high	95.4	Very high	98 Å²	98	80.1 Å²	80.1	59%	0.594	40%	0.395	S	S	*	.	S	Bend	trans	-93	154.3	171.5	-60.9	0	0	0	0	112.4	V92	V90-V92 VanDerWaalsContact C-N 3.26Å; V90-V92 PolarHBondContact O-N 3.28Å
91	N	95.4	Very high	95.4	Very high	109 Å²	109	80 Å²	80	58%	0.583	40%	0.395	S	S	*	.	S	Bend	trans	58.9	36.7	-177.4	-56.8	-31.2	0	0	0	113.4	R104	N91-R104 PolarHBondContact O-N 3.47Å
92	V	96.9	Very high	95.5	Very high	29 Å²	29	73 Å²	73	18%	0.176	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	134.9	-178.7	179.5	0	0	0	0	110.1	A86 S89 V90 V101 I102 M103	A86-V92 HydrophobicContact CB-CG1 4.22Å; S89-V92 VanDerWaalsContact CB-CG2 3.41Å; V90-V92 VanDerWaalsContact C-N 3.26Å; V90-V92 PolarHBondContact O-N 3.28Å; V92-V101 HydrophobicContact CB-CG1 4.49Å; V92-V101 HydrophobicContact CG1-CB 4.5Å; V92-V101 HydrophobicContact CG1-CG1 3.08Å; V92-I102 CarbonylContact C-O 3.58Å; V92-I102 WeakPolarHBondContact CA-O 3.36Å; V92-M103 HydrophobicContact CG2-CB 4.01Å; V92-M103 HydrophobicContact CG2-CE 3.6Å; V92-M103 HydrophobicContact CG2-CG 3.83Å
93	E	96.5	Very high	95.5	Very high	64 Å²	64	72.4 Å²	72.4	30%	0.299	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	118	177.6	-176.6	-177.9	175.9	0	0	109.2	K95 I102 R104	E93-K95 HydrophobicContact CG-CD 4.46Å; E93-K95 WeakPolarHBondContact OE1-CE 3.4Å; E93-K95 IonicContact OE1-NZ 3.55Å; E93-K95 PolarHBondContact OE1-NZ 3.03Å; E93-I102 HydrophobicContact CB-CB 4.41Å; E93-I102 PolarHBondContact N-O 3.38Å; E93-I102 PolarHBondContact O-N 3.2Å; E93-R104 IonicContact OE2-CZ 2.92Å; E93-R104 IonicContact OE2-NH1 3.39Å; E93-R104 PolarHBondContact OE2-NH1 3.47Å; E93-R104 IonicContact OE2-NH2 3.43Å; E93-R104 PolarHBondContact OE2-NH2 3.39Å
94	Y	97.2	Very high	95.6	Very high	73 Å²	73	70.4 Å²	70.4	29%	0.286	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	120.1	177.3	179.6	-125.4	0	0	0	111.1	L82 K83 A86 A96 V101	L82-Y94 HydrophobicContact CB-CD2 4.08Å; L82-Y94 HydrophobicContact CB-CE2 3.63Å; L82-Y94 HydrophobicContact CD1-CE2 4.09Å; K83-Y94 HydrophobicContact CG-CD1 4.46Å; K83-Y94 HydrophobicContact CG-CE1 3.9Å; A86-Y94 HydrophobicContact CB-CG 4.49Å; Y94-A96 HydrophobicContact CD1-CB 4.16Å; Y94-A96 HydrophobicContact CE1-CB 3.61Å; Y94-V101 HydrophobicContact CD2-CG2 3.66Å; Y94-V101 HydrophobicContact CE2-CG2 4.41Å
95	K	95.7	Very high	95.6	Very high	74 Å²	74	67.3 Å²	67.3	32%	0.322	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	85.7	175.2	-65.6	-58.6	-160	-175.3	0	109.8	E93 L97 Q98 N99 H100 I102	E93-K95 HydrophobicContact CG-CD 4.46Å; E93-K95 WeakPolarHBondContact OE1-CE 3.4Å; E93-K95 IonicContact OE1-NZ 3.55Å; E93-K95 PolarHBondContact OE1-NZ 3.03Å; K95-L97 VanDerWaalsContact C-N 3.31Å; K95-L97 PolarHBondContact O-N 2.8Å; K95-Q98 HydrophobicContact CB-CB 4.24Å; K95-Q98 CarbonylContact O-C 3.58Å; K95-Q98 PolarHBondContact O-N 2.92Å; K95-Q98 VanDerWaalsContact O-N 3.08Å; K95-N99 PolarHBondContact O-N 3.47Å; K95-H100 PolarHBondContact N-O 2.91Å; K95-I102 HydrophobicContact CG-CD1 4.02Å; K95-I102 HydrophobicContact CG-CG1 4.4Å
96	A	93.1	Very high	95.5	Very high	56 Å²	56	78.5 Å²	78.5	46%	0.463	38%	0.383	S	S	.	.	G	3₁₀ helix	trans	-56.5	-40.9	-176.8	0	0	0	0	0	113.4	Y94 Q98 N99	Y94-A96 HydrophobicContact CD1-CB 4.16Å; Y94-A96 HydrophobicContact CE1-CB 3.61Å; A96-Q98 PolarHBondContact O-N 3.33Å; A96-N99 PolarHBondContact O-N 3.01Å; A96-N99 PolarHBondContact O-OD1 3.23Å; A96-N99 VanDerWaalsContact O-OD1 3.05Å
97	L	94.7	Very high	95.3	Very high	178 Å²	178	80.8 Å²	80.8	93%	0.932	40%	0.397	S	S	*	.	G	3₁₀ helix	trans	-65.6	-27.3	179.7	-65.7	175.9	0	0	0	113.4	K95	K95-L97 VanDerWaalsContact C-N 3.31Å; K95-L97 PolarHBondContact O-N 2.8Å
98	Q	92.2	Very high	95.2	Very high	116 Å²	116	71 Å²	71	54%	0.542	36%	0.363	S	S	.	.	G	3₁₀ helix	trans	-107	3	-175.7	-62.9	174.2	-36.9	0	0	112.5	K95 A96 H100	K95-Q98 HydrophobicContact CB-CB 4.24Å; K95-Q98 CarbonylContact O-C 3.58Å; K95-Q98 PolarHBondContact O-N 2.92Å; K95-Q98 VanDerWaalsContact O-N 3.08Å; A96-Q98 PolarHBondContact O-N 3.33Å; Q98-H100 VanDerWaalsContact C-N 3.27Å; Q98-H100 VanDerWaalsContact CB-CE1 3.41Å; Q98-H100 WeakPolarHBondContact CB-CE1 3.35Å; Q98-H100 VanDerWaalsContact CB-ND1 3.33Å; Q98-H100 WeakPolarHBondContact CB-ND1 3.11Å; Q98-H100 PolarHBondContact O-N 3.08Å; Q98-H100 PolarHBondContact O-ND1 2.86Å; Q98-H100 PolarHBondContact OE1-CE1 3.05Å
99	N	94.2	Very high	95.2	Very high	99 Å²	99	72.7 Å²	72.7	53%	0.529	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	48	43.1	-179.7	-73.7	-20.7	0	0	0	114.6	L82 K95 A96	L82-N99 VanDerWaalsContact CD1-O 3.24Å; L82-N99 WeakPolarHBondContact CD1-O 3.47Å; K95-N99 PolarHBondContact O-N 3.47Å; A96-N99 PolarHBondContact O-N 3.01Å; A96-N99 PolarHBondContact O-OD1 3.23Å; A96-N99 VanDerWaalsContact O-OD1 3.05Å
100	H	96.8	Very high	95.3	Very high	16 Å²	16	71.7 Å²	71.7	7%	0.074	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	166.9	172.7	70.2	-103.3	0	0	0	111.9	K95 Q98 T113 I114 W115	K95-H100 PolarHBondContact N-O 2.91Å; Q98-H100 VanDerWaalsContact C-N 3.27Å; Q98-H100 VanDerWaalsContact CB-CE1 3.41Å; Q98-H100 WeakPolarHBondContact CB-CE1 3.35Å; Q98-H100 VanDerWaalsContact CB-ND1 3.33Å; Q98-H100 WeakPolarHBondContact CB-ND1 3.11Å; Q98-H100 PolarHBondContact O-N 3.08Å; Q98-H100 PolarHBondContact O-ND1 2.86Å; Q98-H100 PolarHBondContact OE1-CE1 3.05Å; H100-T113 HydrophobicContact CB-CG2 4.03Å; H100-I114 WeakPolarHBondContact CA-O 3.49Å; H100-I114 WeakPolarHBondContact CB-O 3.46Å; H100-W115 HydrophobicContact CB-CD2 4.11Å; H100-W115 HydrophobicContact CB-CE3 4.09Å; H100-W115 HydrophobicContact CB-CZ3 4.36Å
101	V	97.4	Very high	95.5	Very high	0 Å²	0	68 Å²	68	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	134.1	177.2	169.9	0	0	0	0	109.1	L82 I85 V92 Y94 T113 I114	L82-V101 HydrophobicContact CB-CG2 3.66Å; L82-V101 HydrophobicContact CD1-CG2 4.4Å; L82-V101 HydrophobicContact CD2-CB 4.31Å; L82-V101 HydrophobicContact CD2-CG2 3.78Å; L82-V101 HydrophobicContact CG-CG2 4.13Å; I85-V101 HydrophobicContact CG2-CG1 4.39Å; V92-V101 HydrophobicContact CB-CG1 4.49Å; V92-V101 HydrophobicContact CG1-CB 4.5Å; V92-V101 HydrophobicContact CG1-CG1 3.08Å; Y94-V101 HydrophobicContact CD2-CG2 3.66Å; Y94-V101 HydrophobicContact CE2-CG2 4.41Å; V101-T113 WeakPolarHBondContact O-CA 3.41Å; V101-I114 HydrophobicContact CB-CB 4.31Å; V101-I114 HydrophobicContact CG1-CD1 4.39Å; V101-I114 PolarHBondContact N-O 2.86Å; V101-I114 PolarHBondContact O-N 2.69Å
102	I	97.7	Very high	95.6	Very high	24 Å²	24	62.9 Å²	62.9	12%	0.123	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	113.6	172.9	-56.9	176.7	0	0	0	108	V92 E93 K95 R104 V111 A112	V92-I102 CarbonylContact C-O 3.58Å; V92-I102 WeakPolarHBondContact CA-O 3.36Å; E93-I102 HydrophobicContact CB-CB 4.41Å; E93-I102 PolarHBondContact N-O 3.38Å; E93-I102 PolarHBondContact O-N 3.2Å; K95-I102 HydrophobicContact CG-CD1 4.02Å; K95-I102 HydrophobicContact CG-CG1 4.4Å; I102-R104 HydrophobicContact CG2-CG 4.35Å; I102-V111 HydrophobicContact CG2-CG1 3.68Å; I102-A112 CarbonylContact C-O 3.52Å; I102-A112 WeakPolarHBondContact CA-O 3.32Å
103	M	97.4	Very high	95.6	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	132.6	174.8	-179.2	-180	-70.2	0	0	109.6	I85 V92 A112 I114 I138 R141 I142	I85-M103 HydrophobicContact CG2-CE 4.13Å; V92-M103 HydrophobicContact CG2-CB 4.01Å; V92-M103 HydrophobicContact CG2-CE 3.6Å; V92-M103 HydrophobicContact CG2-CG 3.83Å; M103-A112 PolarHBondContact N-O 3.22Å; M103-A112 PolarHBondContact O-N 2.89Å; M103-I114 HydrophobicContact CB-CD1 3.72Å; M103-I114 HydrophobicContact CE-CD1 4.13Å; M103-I114 HydrophobicContact SD-CD1 4.35Å; M103-I138 HydrophobicContact CB-CD1 4.32Å; M103-I138 HydrophobicContact CG-CD1 3.74Å; M103-I138 HydrophobicContact SD-CD1 3.57Å; M103-I138 VanDerWaalsContact SD-CD1 3.57Å; M103-I138 HydrophobicContact SD-CG2 4.15Å; M103-R141 HydrophobicContact CE-CB 4.45Å; M103-R141 HydrophobicContact SD-CB 4.08Å; M103-I142 HydrophobicContact CE-CG1 4.21Å
104	R	97.1	Very high	95.7	Very high	103 Å²	103	60.1 Å²	60.1	39%	0.389	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	127.7	-178.2	-59.7	-178	179	93.6	-2.9	111	N91 E93 I102 V111	N91-R104 PolarHBondContact O-N 3.47Å; E93-R104 IonicContact OE2-CZ 2.92Å; E93-R104 IonicContact OE2-NH1 3.39Å; E93-R104 PolarHBondContact OE2-NH1 3.47Å; E93-R104 IonicContact OE2-NH2 3.43Å; E93-R104 PolarHBondContact OE2-NH2 3.39Å; I102-R104 HydrophobicContact CG2-CG 4.35Å; R104-V111 HydrophobicContact CG-CG1 4.26Å; R104-V111 HydrophobicContact CG-CG2 4.22Å
105	L	95.4	Very high	95.7	Very high	13 Å²	13	61.2 Å²	61.2	7%	0.068	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	138.6	174.7	-171.7	68.4	0	0	0	109.9	S107 Y109 T110 R137 I138	L105-S107 WeakPolarHBondContact CD2-O 3.34Å; L105-Y109 WeakPolarHBondContact O-CA 3.23Å; L105-T110 PolarHBondContact N-O 3.37Å; L105-T110 PolarHBondContact O-N 3.39Å; L105-T110 VanDerWaalsContact O-N 3.11Å; L105-R137 HydrophobicContact CD2-CB 3.78Å; L105-R137 HydrophobicContact CD2-CG 4.46Å; L105-I138 HydrophobicContact CB-CD1 4.21Å
106	R	93.8	Very high	95.7	Very high	234 Å²	234	60 Å²	60	88%	0.883	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-45.9	-179.7	-176.7	176.7	176.9	155.1	-2.4	112.9	P108 Y109	R106-P108 CarbonylContact O-C 3.56Å; R106-Y109 WeakPolarHBondContact O-CA 3.05Å; R106-Y109 PolarHBondContact O-N 2.76Å; R106-Y109 VanDerWaalsContact O-N 3.13Å
107	S	91.5	Very high	95.8	Very high	79 Å²	79	60.2 Å²	60.2	55%	0.552	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-130.8	122	-178.7	-177.9	0	0	0	0	110.8	L105 R137	L105-S107 WeakPolarHBondContact CD2-O 3.34Å; S107-R137 PolarHBondContact O-NH1 2.78Å
108	P	93.8	Very high	95.9	Very high	18 Å²	18	51.7 Å²	51.7	12%	0.117	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	cis	-57.3	151.1	-22.8	28.4	-33.4	0	0	0	109.9	R106 T110 K130 I133	R106-P108 CarbonylContact O-C 3.56Å; P108-T110 PolarHBondContact O-N 3.49Å; P108-T110 PolarHBondContact O-OG1 2.88Å; P108-K130 HydrophobicContact CB-CB 3.99Å; P108-K130 HydrophobicContact CB-CD 4.43Å; P108-K130 HydrophobicContact CB-CG 4.23Å; P108-K130 HydrophobicContact CG-CB 4.37Å; P108-K130 WeakPolarHBondContact CG-O 3.46Å; P108-I133 HydrophobicContact CG-CG2 4.42Å
109	Y	94.9	Very high	96.1	Very high	121 Å²	121	51.4 Å²	51.4	48%	0.475	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	116.3	174.8	177.8	-102.7	0	0	0	108.6	L105 R106 V111 G124	L105-Y109 WeakPolarHBondContact O-CA 3.23Å; R106-Y109 WeakPolarHBondContact O-CA 3.05Å; R106-Y109 PolarHBondContact O-N 2.76Å; R106-Y109 VanDerWaalsContact O-N 3.13Å; Y109-V111 HydrophobicContact CE1-CG2 4.29Å; Y109-V111 HydrophobicContact CE2-CG2 4.42Å; Y109-G124 CarbonylContact O-C 3.57Å
110	T	96.4	Very high	96.3	Very high	1 Å²	1	46.7 Å²	46.7	1%	0.006	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	128.8	-176.5	-61	0	0	0	0	108.9	L105 P108 C122 T123	L105-T110 PolarHBondContact N-O 3.37Å; L105-T110 PolarHBondContact O-N 3.39Å; L105-T110 VanDerWaalsContact O-N 3.11Å; P108-T110 PolarHBondContact O-N 3.49Å; P108-T110 PolarHBondContact O-OG1 2.88Å; T110-C122 HydrophobicContact CG2-CB 3.78Å; T110-T123 CarbonylContact C-O 3.56Å; T110-T123 WeakPolarHBondContact CA-O 3.24Å
111	V	97.3	Very high	96.3	Very high	22 Å²	22	50.9 Å²	50.9	13%	0.133	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	120	174.6	-177.7	0	0	0	0	107.6	I102 R104 Y109 C122 T123	I102-V111 HydrophobicContact CG2-CG1 3.68Å; R104-V111 HydrophobicContact CG-CG1 4.26Å; R104-V111 HydrophobicContact CG-CG2 4.22Å; Y109-V111 HydrophobicContact CE1-CG2 4.29Å; Y109-V111 HydrophobicContact CE2-CG2 4.42Å; V111-C122 WeakPolarHBondContact O-CA 3.2Å; V111-T123 PolarHBondContact N-O 3.28Å; V111-T123 PolarHBondContact O-N 2.87Å; V111-T123 PolarHBondContact O-OG1 3.25Å
112	A	97.5	Very high	96.3	Very high	0 Å²	0	51 Å²	51	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	129.3	179.3	0	0	0	0	0	111.4	I102 M103 I114 W121 I138	I102-A112 CarbonylContact C-O 3.52Å; I102-A112 WeakPolarHBondContact CA-O 3.32Å; M103-A112 PolarHBondContact N-O 3.22Å; M103-A112 PolarHBondContact O-N 2.89Å; A112-I114 HydrophobicContact CB-CG1 4.39Å; A112-W121 CarbonylContact C-O 3.58Å; A112-W121 WeakPolarHBondContact CA-O 3.29Å; A112-I138 HydrophobicContact CB-CB 4.38Å; A112-I138 HydrophobicContact CB-CD1 3.98Å; A112-I138 HydrophobicContact CB-CG1 3.9Å; A112-I138 HydrophobicContact CB-CG2 3.75Å
113	T	97.8	Very high	96.2	Very high	35 Å²	35	52.1 Å²	52.1	22%	0.215	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	114.5	167.8	-58.4	0	0	0	0	108.5	H100 V101 W115 I120 W121	H100-T113 HydrophobicContact CB-CG2 4.03Å; V101-T113 WeakPolarHBondContact O-CA 3.41Å; T113-W115 HydrophobicContact CG2-CZ2 4.38Å; T113-I120 WeakPolarHBondContact O-CA 3.21Å; T113-W121 PolarHBondContact N-O 3.1Å; T113-W121 PolarHBondContact O-N 3.1Å
114	I	97.4	Very high	96	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	125	-172.4	-58.3	153.6	0	0	0	108.8	L80 L82 H100 V101 M103 A112 I120 I138 I142	L80-I114 HydrophobicContact CD1-CG2 3.43Å; L80-I114 VanDerWaalsContact CD1-CG2 3.43Å; L82-I114 HydrophobicContact CD2-CG2 4.41Å; H100-I114 WeakPolarHBondContact CA-O 3.49Å; H100-I114 WeakPolarHBondContact CB-O 3.46Å; V101-I114 HydrophobicContact CB-CB 4.31Å; V101-I114 HydrophobicContact CG1-CD1 4.39Å; V101-I114 PolarHBondContact N-O 2.86Å; V101-I114 PolarHBondContact O-N 2.69Å; M103-I114 HydrophobicContact CB-CD1 3.72Å; M103-I114 HydrophobicContact CE-CD1 4.13Å; M103-I114 HydrophobicContact SD-CD1 4.35Å; A112-I114 HydrophobicContact CB-CG1 4.39Å; I114-I120 HydrophobicContact CB-CG2 4.35Å; I114-I120 HydrophobicContact CG1-CG2 3.94Å; I114-I120 HydrophobicContact CG2-CG2 4.14Å; I114-I138 HydrophobicContact CD1-CG2 4.3Å; I114-I142 HydrophobicContact CD1-CD1 3.7Å; I114-I142 HydrophobicContact CD1-CG1 4.35Å; I114-I142 HydrophobicContact CG1-CD1 4.05Å; I114-I142 HydrophobicContact CG2-CD1 4.18Å
115	W	97.3	Very high	95.9	Very high	97 Å²	97	48.7 Å²	48.7	37%	0.367	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	154.8	179.9	-60.5	83.5	0	0	0	111	H100 T113 S117 G118 K119 W121	H100-W115 HydrophobicContact CB-CD2 4.11Å; H100-W115 HydrophobicContact CB-CE3 4.09Å; H100-W115 HydrophobicContact CB-CZ3 4.36Å; T113-W115 HydrophobicContact CG2-CZ2 4.38Å; W115-S117 PolarHBondContact O-N 3.23Å; W115-S117 VanDerWaalsContact O-N 3.13Å; W115-G118 PolarHBondContact O-N 3.45Å; W115-K119 PolarHBondContact N-O 3.15Å; W115-W121 AromaticContact NE1-CD1 3.88Å
116	S	96.4	Very high	95.8	Very high	47 Å²	47	51.1 Å²	51.1	33%	0.329	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-27.9	177.1	53.3	0	0	0	0	113.2	H79 L80 G118	H79-S116 WeakPolarHBondContact CA-O 3.45Å; L80-S116 PolarHBondContact N-O 3.29Å; S116-G118 PolarHBondContact O-N 3.29Å; S116-G118 VanDerWaalsContact O-N 3.16Å
117	S	95.9	Very high	95.8	Very high	61 Å²	61	41.1 Å²	41.1	43%	0.427	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-3.3	174	62.4	0	0	0	0	115.3	W115 K119	W115-S117 PolarHBondContact O-N 3.23Å; W115-S117 VanDerWaalsContact O-N 3.13Å; S117-K119 PolarHBondContact O-N 2.98Å
118	G	95.9	Very high	96	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.209	C	C	.	.	S	Bend	trans	78.8	3	-174.4	0	0	0	0	0	114.1	L76 C78 W115 S116	L76-G118 PolarHBondContact N-O 3Å; C78-G118 VanDerWaalsContact O-CA 3.28Å; C78-G118 WeakPolarHBondContact O-CA 3.2Å; C78-G118 PolarHBondContact O-N 3.34Å; W115-G118 PolarHBondContact O-N 3.45Å; S116-G118 PolarHBondContact O-N 3.29Å; S116-G118 VanDerWaalsContact O-N 3.16Å
119	K	97.1	Very high	96.1	Very high	110 Å²	110	42.3 Å²	42.3	48%	0.478	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	133.1	169.7	-67.6	179.8	-177.4	174	0	109.7	W115 S117	W115-K119 PolarHBondContact N-O 3.15Å; S117-K119 PolarHBondContact O-N 2.98Å
120	I	97.1	Very high	96.1	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	134.2	176.2	64.2	169.4	0	0	0	110	M73 A74 L76 T113 I114 I142 F151	M73-I120 WeakPolarHBondContact CA-O 3.23Å; A74-I120 HydrophobicContact CB-CD1 3.98Å; A74-I120 HydrophobicContact CB-CG1 3.75Å; A74-I120 PolarHBondContact N-O 3.33Å; A74-I120 WeakPolarHBondContact O-CG1 3.3Å; A74-I120 PolarHBondContact O-N 3.35Å; L76-I120 HydrophobicContact CD1-CG2 3.93Å; L76-I120 HydrophobicContact CD2-CD1 4.17Å; L76-I120 HydrophobicContact CG-CG2 4.05Å; T113-I120 WeakPolarHBondContact O-CA 3.21Å; I114-I120 HydrophobicContact CB-CG2 4.35Å; I114-I120 HydrophobicContact CG1-CG2 3.94Å; I114-I120 HydrophobicContact CG2-CG2 4.14Å; I120-I142 HydrophobicContact CG2-CD1 4.49Å; I120-F151 HydrophobicContact CD1-CE2 4.28Å
121	W	97.3	Very high	96.1	Very high	104 Å²	104	41.1 Å²	41.1	39%	0.394	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	123.3	172.8	-74.1	58.8	0	0	0	107.9	V71 V72 A112 T113 W115 V157	V71-W121 HydrophobicContact CG1-CE3 4.23Å; V72-W121 CarbonylContact O-C 3.48Å; V72-W121 WeakPolarHBondContact O-CA 3.12Å; A112-W121 CarbonylContact C-O 3.58Å; A112-W121 WeakPolarHBondContact CA-O 3.29Å; T113-W121 PolarHBondContact N-O 3.1Å; T113-W121 PolarHBondContact O-N 3.1Å; W115-W121 AromaticContact NE1-CD1 3.88Å; W121-V157 HydrophobicContact CZ3-CG1 4.38Å
122	C	96.8	Very high	96	Very high	3 Å²	3	45.4 Å²	45.4	2%	0.02	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	137.8	179.7	-53.1	0	0	0	0	110.5	V71 V72 T110 V111	V71-C122 WeakPolarHBondContact CA-O 3.39Å; V72-C122 HydrophobicContact CG2-CB 3.59Å; V72-C122 PolarHBondContact N-O 2.89Å; V72-C122 PolarHBondContact O-N 3.07Å; T110-C122 HydrophobicContact CG2-CB 3.78Å; V111-C122 WeakPolarHBondContact O-CA 3.2Å
123	T	96.6	Very high	96	Very high	47 Å²	47	49.2 Å²	49.2	29%	0.288	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	163	-177.5	63.4	0	0	0	0	110.9	V71 T110 V111	V71-T123 HydrophobicContact CB-CG2 4.45Å; V71-T123 HydrophobicContact CG1-CG2 4.04Å; V71-T123 HydrophobicContact CG2-CG2 4.06Å; T110-T123 CarbonylContact C-O 3.56Å; T110-T123 WeakPolarHBondContact CA-O 3.24Å; V111-T123 PolarHBondContact N-O 3.28Å; V111-T123 PolarHBondContact O-N 2.87Å; V111-T123 PolarHBondContact O-OG1 3.25Å
124	G	93.8	Very high	95.9	Very high	26 Å²	26	47.6 Å²	47.6	27%	0.268	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	98.4	-7.6	172.6	0	0	0	0	0	114.9	N69 Y109	N69-G124 WeakPolarHBondContact OD1-CA 3.23Å; N69-G124 PolarHBondContact OD1-N 3.16Å; Y109-G124 CarbonylContact O-C 3.57Å
125	A	94.7	Very high	95.9	Very high	4 Å²	4	47.6 Å²	47.6	3%	0.033	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	136.6	175	0	0	0	0	0	110.8	N69 V70 K130 A131	N69-A125 CarbonylContact C-O 3.46Å; N69-A125 WeakPolarHBondContact CA-O 3.48Å; V70-A125 PolarHBondContact N-O 3.35Å; A125-K130 HydrophobicContact CB-CB 4.3Å; A125-A131 HydrophobicContact CB-CB 3.68Å
126	N	93.4	Very high	95.9	Very high	65 Å²	65	49.8 Å²	49.8	35%	0.348	26%	0.259	S	S	.	.	S	Bend	trans	-92.6	7	179.8	67.4	-15.8	0	0	0	114.2	K130 N605	N126-K130 WeakPolarHBondContact OD1-CD 3.31Å; N126-K130 PolarHBondContact OD1-NZ 3.24Å; N126-N605 PolarHBondContact O-ND2 3.35Å
127	S	94	Very high	95.9	Very high	24 Å²	24	52.2 Å²	52.2	17%	0.168	26%	0.261	C	S	.	.	S	Bend	trans	-153.9	151	178.2	167.4	0	0	0	0	109.7	A129 K130 A131	S127-A129 VanDerWaalsContact C-N 3.32Å; S127-A129 PolarHBondContact O-N 3.23Å; S127-A129 PolarHBondContact OG-N 3.45Å; S127-K130 PolarHBondContact O-N 3.38Å; S127-A131 WeakPolarHBondContact O-CB 3.39Å; S127-A131 PolarHBondContact O-N 3.33Å
128	L	94.6	Very high	95.9	Very high	61 Å²	61	49.3 Å²	49.3	32%	0.319	24%	0.241	S	C	.	.	H	α-helix	trans	-58.1	-43.2	176.9	-65.2	172.8	0	0	0	111.7	V70 A131 K132 V156 I159	V70-L128 HydrophobicContact CG1-CD2 3.77Å; V70-L128 HydrophobicContact CG2-CD2 4.15Å; L128-A131 WeakPolarHBondContact O-CB 3.31Å; L128-A131 PolarHBondContact O-N 3Å; L128-K132 PolarHBondContact O-N 3.14Å; L128-V156 HydrophobicContact CD2-CG1 4.33Å; L128-V156 HydrophobicContact CD2-CG2 3.94Å; L128-I159 HydrophobicContact CD2-CD1 3.94Å; L128-I159 HydrophobicContact CD2-CG1 4.26Å
129	A	95.3	Very high	96	Very high	61 Å²	61	49.6 Å²	49.6	50%	0.504	24%	0.243	S	C	.	.	H	α-helix	trans	-63	-46.9	179	0	0	0	0	0	111.6	S127 A131 K132 I133	S127-A129 VanDerWaalsContact C-N 3.32Å; S127-A129 PolarHBondContact O-N 3.23Å; S127-A129 PolarHBondContact OG-N 3.45Å; A129-A131 VanDerWaalsContact C-N 3.31Å; A129-A131 PolarHBondContact O-N 3.39Å; A129-K132 PolarHBondContact O-N 3.43Å; A129-I133 WeakPolarHBondContact O-CG1 3.43Å; A129-I133 PolarHBondContact O-N 3.45Å
130	K	95.6	Very high	95.9	Very high	95 Å²	95	51.2 Å²	51.2	41%	0.413	25%	0.246	S	C	.	.	H	α-helix	trans	-63	-37	176.4	-73.6	178.4	-178.7	175.6	0	112	P108 A125 N126 S127 I133 G134	P108-K130 HydrophobicContact CB-CB 3.99Å; P108-K130 HydrophobicContact CB-CD 4.43Å; P108-K130 HydrophobicContact CB-CG 4.23Å; P108-K130 HydrophobicContact CG-CB 4.37Å; P108-K130 WeakPolarHBondContact CG-O 3.46Å; A125-K130 HydrophobicContact CB-CB 4.3Å; N126-K130 WeakPolarHBondContact OD1-CD 3.31Å; N126-K130 PolarHBondContact OD1-NZ 3.24Å; S127-K130 PolarHBondContact O-N 3.38Å; K130-I133 PolarHBondContact O-N 3.45Å; K130-G134 PolarHBondContact O-N 3.2Å
131	A	96.2	Very high	95.8	Very high	2 Å²	2	55.6 Å²	55.6	2%	0.017	26%	0.263	C	S	.	.	H	α-helix	trans	-63.4	-42.4	176	0	0	0	0	0	112	V70 V72 A125 S127 L128 A129 G134 A135	V70-A131 HydrophobicContact CB-CB 4.07Å; V70-A131 HydrophobicContact CG1-CB 3.96Å; V72-A131 HydrophobicContact CG1-CB 3.79Å; V72-A131 HydrophobicContact CG2-CB 4.46Å; A125-A131 HydrophobicContact CB-CB 3.68Å; S127-A131 WeakPolarHBondContact O-CB 3.39Å; S127-A131 PolarHBondContact O-N 3.33Å; L128-A131 WeakPolarHBondContact O-CB 3.31Å; L128-A131 PolarHBondContact O-N 3Å; A129-A131 VanDerWaalsContact C-N 3.31Å; A129-A131 PolarHBondContact O-N 3.39Å; A131-G134 PolarHBondContact O-N 3.23Å; A131-A135 WeakPolarHBondContact O-CB 3.46Å; A131-A135 PolarHBondContact O-N 3.39Å
132	K	96.1	Very high	95.8	Very high	112 Å²	112	50.7 Å²	50.7	49%	0.487	24%	0.244	S	C	.	.	H	α-helix	trans	-64.3	-46.1	176.2	-167.9	175.8	-178.3	-179.1	0	111.7	L128 A129 A135 R136 Y154	L128-K132 PolarHBondContact O-N 3.14Å; A129-K132 PolarHBondContact O-N 3.43Å; K132-A135 PolarHBondContact O-N 3.24Å; K132-R136 WeakPolarHBondContact O-CG 3.31Å; K132-R136 PolarHBondContact O-N 3.06Å; K132-Y154 WeakPolarHBondContact CA-OH 2.94Å; K132-Y154 HydrophobicContact CB-CE1 4.46Å; K132-Y154 HydrophobicContact CB-CE2 4.34Å; K132-Y154 WeakPolarHBondContact CB-OH 3.45Å; K132-Y154 HydrophobicContact CG-CE1 4.27Å; K132-Y154 HydrophobicContact CG-CE2 4.39Å; K132-Y154 PolarHBondContact N-OH 2.9Å
133	I	96.7	Very high	95.7	Very high	80 Å²	80	52.5 Å²	52.5	41%	0.41	26%	0.259	S	S	.	.	H	α-helix	trans	-61.8	-46.1	176.7	-65.7	166.5	0	0	0	110.7	P108 A129 K130 R136 R137	P108-I133 HydrophobicContact CG-CG2 4.42Å; A129-I133 WeakPolarHBondContact O-CG1 3.43Å; A129-I133 PolarHBondContact O-N 3.45Å; K130-I133 PolarHBondContact O-N 3.45Å; I133-R136 PolarHBondContact O-N 2.93Å; I133-R137 HydrophobicContact CG2-CG 4.43Å; I133-R137 WeakPolarHBondContact O-CB 3.4Å; I133-R137 WeakPolarHBondContact O-CG 3.35Å; I133-R137 PolarHBondContact O-N 2.99Å
134	G	96.8	Very high	95.6	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-58.4	-48.9	177.6	0	0	0	0	0	112.2	K130 A131 R136 R137 I138	K130-G134 PolarHBondContact O-N 3.2Å; A131-G134 PolarHBondContact O-N 3.23Å; G134-R136 PolarHBondContact O-N 2.94Å; G134-R137 PolarHBondContact O-N 2.85Å; G134-I138 VanDerWaalsContact O-CG1 3.32Å; G134-I138 WeakPolarHBondContact O-CG1 3.46Å; G134-I138 PolarHBondContact O-N 3.37Å
135	A	97	Very high	95.6	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-60.4	-43.3	177.6	0	0	0	0	0	112.6	V72 A131 K132 I138 A139 F151 Y154	V72-A135 HydrophobicContact CG2-CB 4.31Å; A131-A135 WeakPolarHBondContact O-CB 3.46Å; A131-A135 PolarHBondContact O-N 3.39Å; K132-A135 PolarHBondContact O-N 3.24Å; A135-I138 PolarHBondContact O-N 2.89Å; A135-A139 PolarHBondContact O-N 2.91Å; A135-F151 HydrophobicContact CB-CE2 3.95Å; A135-F151 HydrophobicContact CB-CZ 3.99Å; A135-Y154 HydrophobicContact CB-CD2 4.41Å; A135-Y154 HydrophobicContact CB-CE2 4.18Å
136	R	96.7	Very high	95.6	Very high	144 Å²	144	61.7 Å²	61.7	54%	0.543	31%	0.309	S	S	.	.	H	α-helix	trans	-65	-39.1	175.6	-72.6	178.9	70.8	178	3.1	112.5	K132 I133 G134 A139 R140 F151	K132-R136 WeakPolarHBondContact O-CG 3.31Å; K132-R136 PolarHBondContact O-N 3.06Å; I133-R136 PolarHBondContact O-N 2.93Å; G134-R136 PolarHBondContact O-N 2.94Å; R136-A139 PolarHBondContact O-N 3.15Å; R136-R140 WeakPolarHBondContact O-CG 3.35Å; R136-R140 PolarHBondContact O-N 3.42Å; R136-F151 HydrophobicContact CG-CD1 4.22Å; R136-F151 HydrophobicContact CG-CE1 3.88Å; R136-F151 HydrophobicContact CG-CE2 4.44Å; R136-F151 HydrophobicContact CG-CZ 3.99Å
137	R	96.5	Very high	95.7	Very high	97 Å²	97	59.7 Å²	59.7	37%	0.366	30%	0.297	S	S	.	.	H	α-helix	trans	-63.7	-41.2	176	-78.7	-178.9	178.6	-167.6	-3.4	111.5	L105 S107 I133 G134 R140 R141	L105-R137 HydrophobicContact CD2-CB 3.78Å; L105-R137 HydrophobicContact CD2-CG 4.46Å; S107-R137 PolarHBondContact O-NH1 2.78Å; I133-R137 HydrophobicContact CG2-CG 4.43Å; I133-R137 WeakPolarHBondContact O-CB 3.4Å; I133-R137 WeakPolarHBondContact O-CG 3.35Å; I133-R137 PolarHBondContact O-N 2.99Å; G134-R137 PolarHBondContact O-N 2.85Å; R137-R140 PolarHBondContact O-N 3.1Å; R137-R141 PolarHBondContact O-N 2.84Å
138	I	96.6	Very high	95.7	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-63.2	-45.7	175.3	-66.1	-69.8	0	0	0	111	M103 L105 A112 I114 G134 A135 R140 R141 I142	M103-I138 HydrophobicContact CB-CD1 4.32Å; M103-I138 HydrophobicContact CG-CD1 3.74Å; M103-I138 HydrophobicContact SD-CD1 3.57Å; M103-I138 VanDerWaalsContact SD-CD1 3.57Å; M103-I138 HydrophobicContact SD-CG2 4.15Å; L105-I138 HydrophobicContact CB-CD1 4.21Å; A112-I138 HydrophobicContact CB-CB 4.38Å; A112-I138 HydrophobicContact CB-CD1 3.98Å; A112-I138 HydrophobicContact CB-CG1 3.9Å; A112-I138 HydrophobicContact CB-CG2 3.75Å; I114-I138 HydrophobicContact CD1-CG2 4.3Å; G134-I138 VanDerWaalsContact O-CG1 3.32Å; G134-I138 WeakPolarHBondContact O-CG1 3.46Å; G134-I138 PolarHBondContact O-N 3.37Å; A135-I138 PolarHBondContact O-N 2.89Å; I138-R140 VanDerWaalsContact C-N 3.32Å; I138-R140 PolarHBondContact O-N 3.09Å; I138-R141 PolarHBondContact O-N 3.17Å; I138-R141 VanDerWaalsContact O-N 3.16Å; I138-I142 HydrophobicContact CG2-CD1 3.97Å; I138-I142 WeakPolarHBondContact O-CG1 3.47Å; I138-I142 PolarHBondContact O-N 3.16Å; I138-I142 VanDerWaalsContact O-N 3.11Å
139	A	96.4	Very high	95.6	Very high	6 Å²	6	62.5 Å²	62.5	5%	0.05	32%	0.319	C	S	.	.	H	α-helix	trans	-57.4	-44.2	176.8	0	0	0	0	0	112.3	L76 A135 R136 R141 I142 A143 C149 F151	L76-A139 HydrophobicContact CD2-CB 3.55Å; A135-A139 PolarHBondContact O-N 2.91Å; R136-A139 PolarHBondContact O-N 3.15Å; A139-R141 PolarHBondContact O-N 2.67Å; A139-I142 PolarHBondContact O-N 2.72Å; A139-A143 PolarHBondContact O-N 3.22Å; A139-C149 PolarHBondContact O-SG 2.78Å; A139-C149 VanDerWaalsContact O-SG 3.39Å; A139-F151 HydrophobicContact CB-CB 4.37Å; A139-F151 HydrophobicContact CB-CD2 3.67Å; A139-F151 HydrophobicContact CB-CE2 4.43Å; A139-F151 HydrophobicContact CB-CG 4.42Å
140	R	95.7	Very high	95.6	Very high	145 Å²	145	65.2 Å²	65.2	55%	0.547	32%	0.32	S	S	.	.	H	α-helix	trans	-62.7	-39.4	175.4	-74.4	-174.6	-74.3	167.8	-9.2	113.2	R136 R137 I138 I142 A143 K144	R136-R140 WeakPolarHBondContact O-CG 3.35Å; R136-R140 PolarHBondContact O-N 3.42Å; R137-R140 PolarHBondContact O-N 3.1Å; I138-R140 VanDerWaalsContact C-N 3.32Å; I138-R140 PolarHBondContact O-N 3.09Å; R140-I142 VanDerWaalsContact C-N 3.3Å; R140-I142 PolarHBondContact O-N 3.44Å; R140-A143 VanDerWaalsContact O-CB 3.28Å; R140-A143 WeakPolarHBondContact O-CB 3.43Å; R140-A143 PolarHBondContact O-N 3.23Å; R140-K144 WeakPolarHBondContact O-CG 3.46Å; R140-K144 PolarHBondContact O-N 2.93Å
141	R	95.4	Very high	95.6	Very high	92 Å²	92	63.5 Å²	63.5	35%	0.347	31%	0.313	S	S	.	.	H	α-helix	trans	-62	-39.2	175.3	-76.5	-171.6	174.4	-141.1	-5.1	112	M103 R137 I138 A139 K144 C145	M103-R141 HydrophobicContact CE-CB 4.45Å; M103-R141 HydrophobicContact SD-CB 4.08Å; R137-R141 PolarHBondContact O-N 2.84Å; I138-R141 PolarHBondContact O-N 3.17Å; I138-R141 VanDerWaalsContact O-N 3.16Å; A139-R141 PolarHBondContact O-N 2.67Å; R141-K144 PolarHBondContact O-N 2.91Å; R141-C145 PolarHBondContact O-N 3.21Å; R141-C145 PolarHBondContact O-SG 3.17Å; R141-C145 VanDerWaalsContact O-SG 3.4Å
142	I	96.2	Very high	95.5	Very high	0 Å²	0	64.2 Å²	64.2	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-69.3	-37.3	176.1	-62.8	162.6	0	0	0	110.6	L76 L80 I85 M103 I114 I120 I138 A139 R140 K144 C145 F147	L76-I142 HydrophobicContact CD1-CB 4.19Å; L76-I142 HydrophobicContact CD1-CD1 3.48Å; L76-I142 VanDerWaalsContact CD1-CD1 3.48Å; L76-I142 HydrophobicContact CD1-CG1 4.44Å; L76-I142 HydrophobicContact CD1-CG2 3.95Å; L80-I142 HydrophobicContact CD1-CG2 4.33Å; L80-I142 HydrophobicContact CD2-CG2 3.75Å; I85-I142 HydrophobicContact CD1-CG2 4.23Å; M103-I142 HydrophobicContact CE-CG1 4.21Å; I114-I142 HydrophobicContact CD1-CD1 3.7Å; I114-I142 HydrophobicContact CD1-CG1 4.35Å; I114-I142 HydrophobicContact CG1-CD1 4.05Å; I114-I142 HydrophobicContact CG2-CD1 4.18Å; I120-I142 HydrophobicContact CG2-CD1 4.49Å; I138-I142 HydrophobicContact CG2-CD1 3.97Å; I138-I142 WeakPolarHBondContact O-CG1 3.47Å; I138-I142 PolarHBondContact O-N 3.16Å; I138-I142 VanDerWaalsContact O-N 3.11Å; A139-I142 PolarHBondContact O-N 2.72Å; R140-I142 VanDerWaalsContact C-N 3.3Å; R140-I142 PolarHBondContact O-N 3.44Å; I142-K144 VanDerWaalsContact C-N 3.33Å; I142-K144 PolarHBondContact O-N 2.89Å; I142-C145 WeakPolarHBondContact O-CB 3.32Å; I142-C145 PolarHBondContact O-N 2.85Å; I142-C145 VanDerWaalsContact O-N 3.14Å; I142-F147 HydrophobicContact CG2-CB 4.32Å; I142-F147 HydrophobicContact CG2-CD2 4.22Å
143	A	95.7	Very high	95.5	Very high	41 Å²	41	66.1 Å²	66.1	34%	0.339	33%	0.326	S	S	.	.	H	α-helix	trans	-56.7	-47.5	172.6	0	0	0	0	0	111.6	A139 R140 C145 G146 C149	A139-A143 PolarHBondContact O-N 3.22Å; R140-A143 VanDerWaalsContact O-CB 3.28Å; R140-A143 WeakPolarHBondContact O-CB 3.43Å; R140-A143 PolarHBondContact O-N 3.23Å; A143-C145 PolarHBondContact O-N 3.01Å; A143-C145 VanDerWaalsContact O-N 3.12Å; A143-G146 PolarHBondContact O-N 2.86Å; A143-C149 WeakPolarHBondContact CA-SG 3.39Å; A143-C149 WeakPolarHBondContact CB-SG 3.48Å
144	K	95.1	Very high	95.5	Very high	187 Å²	187	65.5 Å²	65.5	81%	0.813	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-16.1	178.8	-70.6	-173.5	178	-162.3	0	113.9	R140 R141 I142 G146	R140-K144 WeakPolarHBondContact O-CG 3.46Å; R140-K144 PolarHBondContact O-N 2.93Å; R141-K144 PolarHBondContact O-N 2.91Å; I142-K144 VanDerWaalsContact C-N 3.33Å; I142-K144 PolarHBondContact O-N 2.89Å; K144-G146 PolarHBondContact O-N 2.84Å
145	C	94	Very high	95.4	Very high	16 Å²	16	72.4 Å²	72.4	11%	0.108	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81	0.5	172.1	-65.4	0	0	0	0	113.5	T88 S89 R141 I142 A143 F147	T88-C145 HydrophobicContact CG2-CB 4.35Å; S89-C145 PolarHBondContact OG-SG 3.15Å; R141-C145 PolarHBondContact O-N 3.21Å; R141-C145 PolarHBondContact O-SG 3.17Å; R141-C145 VanDerWaalsContact O-SG 3.4Å; I142-C145 WeakPolarHBondContact O-CB 3.32Å; I142-C145 PolarHBondContact O-N 2.85Å; I142-C145 VanDerWaalsContact O-N 3.14Å; A143-C145 PolarHBondContact O-N 3.01Å; A143-C145 VanDerWaalsContact O-N 3.12Å; C145-F147 HydrophobicContact CB-CD2 3.9Å; C145-F147 HydrophobicContact CB-CE2 3.98Å
146	G	94	Very high	95.3	Very high	68 Å²	68	74.7 Å²	74.7	70%	0.701	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	94.5	11.4	178.7	0	0	0	0	0	114.9	A143 K144	A143-G146 PolarHBondContact O-N 2.86Å; K144-G146 PolarHBondContact O-N 2.84Å
147	F	94.9	Very high	95.2	Very high	22 Å²	22	70.1 Å²	70.1	10%	0.096	35%	0.347	C	S	.	.			trans	-91	133.8	175	-63.2	-81	0	0	0	110.9	L80 R81 E84 I85 I142 C145 C149	L80-F147 HydrophobicContact CD2-CB 3.89Å; L80-F147 HydrophobicContact CD2-CD1 3.91Å; L80-F147 HydrophobicContact CD2-CD2 4.29Å; L80-F147 HydrophobicContact CD2-CG 3.74Å; R81-F147 HydrophobicContact CB-CE1 4.02Å; R81-F147 HydrophobicContact CB-CZ 4Å; R81-F147 HydrophobicContact CG-CE1 4.41Å; E84-F147 HydrophobicContact CB-CZ 4.19Å; E84-F147 HydrophobicContact CG-CZ 4.13Å; I85-F147 HydrophobicContact CD1-CD2 4.38Å; I85-F147 HydrophobicContact CD1-CE2 4.05Å; I85-F147 HydrophobicContact CG1-CD2 4.07Å; I85-F147 HydrophobicContact CG1-CE2 3.39Å; I85-F147 HydrophobicContact CG1-CZ 3.98Å; I142-F147 HydrophobicContact CG2-CB 4.32Å; I142-F147 HydrophobicContact CG2-CD2 4.22Å; C145-F147 HydrophobicContact CB-CD2 3.9Å; C145-F147 HydrophobicContact CB-CE2 3.98Å; F147-C149 VanDerWaalsContact C-N 3.28Å; F147-C149 PolarHBondContact O-N 2.75Å
148	P	93.6	Very high	95	Very high	112 Å²	112	67.2 Å²	67.2	73%	0.727	34%	0.339	S	S	*	.			trans	-74.1	81	175.8	31.2	-34.8	0	0	0	109.8	C78	C78-P148 VanDerWaalsContact CB-O 3.25Å; C78-P148 WeakPolarHBondContact CB-O 3.16Å
149	C	93.8	Very high	94.9	Very high	33 Å²	33	67.4 Å²	67.4	22%	0.223	34%	0.34	C	S	.	.			trans	-95	138.3	-175.6	69.2	0	0	0	0	112.2	L76 A139 A143 F147	L76-C149 HydrophobicContact CB-CB 4.06Å; L76-C149 HydrophobicContact CD1-CB 4.34Å; L76-C149 HydrophobicContact CD2-CB 4.44Å; A139-C149 PolarHBondContact O-SG 2.78Å; A139-C149 VanDerWaalsContact O-SG 3.39Å; A143-C149 WeakPolarHBondContact CA-SG 3.39Å; A143-C149 WeakPolarHBondContact CB-SG 3.48Å; F147-C149 VanDerWaalsContact C-N 3.28Å; F147-C149 PolarHBondContact O-N 2.75Å
150	H	94.1	Very high	94.9	Very high	117 Å²	117	69.8 Å²	69.8	54%	0.542	35%	0.351	S	S	.	.			trans	-123.6	115	174.3	-175.7	72.1	0	0	0	110.3	L76 Q77 S152	L76-H150 CarbonylContact C-O 3.42Å; L76-H150 WeakPolarHBondContact CA-O 3.26Å; L76-H150 PolarHBondContact O-N 3.49Å; Q77-H150 HydrophobicContact CB-CB 4.47Å; H150-S152 PolarHBondContact O-N 2.82Å
151	F	95.6	Very high	94.8	Very high	60 Å²	60	62.9 Å²	62.9	26%	0.263	33%	0.325	S	S	.	.			trans	-75.1	107.6	-176.4	-175.2	-97.4	0	0	0	111.2	A74 L76 I120 A135 R136 A139 Y154	A74-F151 HydrophobicContact CB-CD2 4.25Å; A74-F151 HydrophobicContact CB-CE2 3.58Å; A74-F151 HydrophobicContact CB-CZ 3.92Å; L76-F151 HydrophobicContact CD2-CD2 4.37Å; I120-F151 HydrophobicContact CD1-CE2 4.28Å; A135-F151 HydrophobicContact CB-CE2 3.95Å; A135-F151 HydrophobicContact CB-CZ 3.99Å; R136-F151 HydrophobicContact CG-CD1 4.22Å; R136-F151 HydrophobicContact CG-CE1 3.88Å; R136-F151 HydrophobicContact CG-CE2 4.44Å; R136-F151 HydrophobicContact CG-CZ 3.99Å; A139-F151 HydrophobicContact CB-CB 4.37Å; A139-F151 HydrophobicContact CB-CD2 3.67Å; A139-F151 HydrophobicContact CB-CE2 4.43Å; A139-F151 HydrophobicContact CB-CG 4.42Å; F151-Y154 HydrophobicContact CE1-CD2 4.29Å; F151-Y154 HydrophobicContact CE1-CG 4.35Å; F151-Y154 AromaticContact CZ-CD2 3.71Å; F151-Y154 HydrophobicContact CZ-CD2 3.71Å; F151-Y154 HydrophobicContact CZ-CG 4.21Å
152	S	95.7	Very high	94.8	Very high	17 Å²	17	60.8 Å²	60.8	12%	0.119	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	173.1	-175.6	71.6	0	0	0	0	112.1	S75 Q77 H150 Y154	S75-S152 PolarHBondContact N-O 3.03Å; S75-S152 PolarHBondContact O-N 2.89Å; S75-S152 VanDerWaalsContact O-O 3.13Å; S75-S152 PolarHBondContact O-OG 2.89Å; S75-S152 VanDerWaalsContact O-OG 3.05Å; Q77-S152 WeakPolarHBondContact CG-OG 3.37Å; Q77-S152 PolarHBondContact NE2-OG 3.31Å; H150-S152 PolarHBondContact O-N 2.82Å; S152-Y154 PolarHBondContact O-N 2.83Å; S152-Y154 VanDerWaalsContact O-N 3.11Å
153	K	95	Very high	94.6	Very high	152 Å²	152	61.1 Å²	61.1	66%	0.661	32%	0.324	S	S	*	.	E	Extended strand (participates in β ladder)	trans	53	35.4	173.5	-59	-179.3	179	176	0	113.5	R155	K153-R155 PolarHBondContact O-N 2.82Å
154	Y	96.8	Very high	94.4	Very high	67 Å²	67	63.2 Å²	63.2	26%	0.263	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	123.2	174.9	175.7	-94.2	0	0	0	109.8	V72 M73 A74 K132 A135 F151 S152	V72-Y154 HydrophobicContact CB-CE2 3.86Å; V72-Y154 HydrophobicContact CG1-CE2 4.08Å; V72-Y154 HydrophobicContact CG2-CE2 3.98Å; M73-Y154 CarbonylContact O-C 3.6Å; M73-Y154 WeakPolarHBondContact O-CA 3.15Å; A74-Y154 HydrophobicContact CB-CD2 4.38Å; K132-Y154 WeakPolarHBondContact CA-OH 2.94Å; K132-Y154 HydrophobicContact CB-CE1 4.46Å; K132-Y154 HydrophobicContact CB-CE2 4.34Å; K132-Y154 WeakPolarHBondContact CB-OH 3.45Å; K132-Y154 HydrophobicContact CG-CE1 4.27Å; K132-Y154 HydrophobicContact CG-CE2 4.39Å; K132-Y154 PolarHBondContact N-OH 2.9Å; A135-Y154 HydrophobicContact CB-CD2 4.41Å; A135-Y154 HydrophobicContact CB-CE2 4.18Å; F151-Y154 HydrophobicContact CE1-CD2 4.29Å; F151-Y154 HydrophobicContact CE1-CG 4.35Å; F151-Y154 AromaticContact CZ-CD2 3.71Å; F151-Y154 HydrophobicContact CZ-CD2 3.71Å; F151-Y154 HydrophobicContact CZ-CG 4.21Å; S152-Y154 PolarHBondContact O-N 2.83Å; S152-Y154 VanDerWaalsContact O-N 3.11Å
155	R	95.5	Very high	94.1	Very high	144 Å²	144	54.4 Å²	54.4	54%	0.543	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	146.7	175	68.9	-179.8	-168.4	-168.7	-0.9	111.4	V72 M73 K153 V157	V72-R155 WeakPolarHBondContact CA-O 3.37Å; M73-R155 HydrophobicContact CB-CG 4.27Å; M73-R155 HydrophobicContact CE-CG 4.23Å; M73-R155 VanDerWaalsContact CE-NH2 3.27Å; M73-R155 PolarHBondContact N-O 3.31Å; M73-R155 PolarHBondContact O-N 2.9Å; K153-R155 PolarHBondContact O-N 2.82Å; R155-V157 HydrophobicContact CG-CG2 4.48Å
156	V	95	Very high	93.9	Very high	49 Å²	49	57 Å²	57	30%	0.297	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	129	167.5	-176	0	0	0	0	107.8	V70 V72 L128 I159	V70-V156 HydrophobicContact CG1-CG1 4.01Å; V72-V156 HydrophobicContact CG1-CG2 4.26Å; L128-V156 HydrophobicContact CD2-CG1 4.33Å; L128-V156 HydrophobicContact CD2-CG2 3.94Å; V156-I159 HydrophobicContact CG1-CD1 4.06Å; V156-I159 HydrophobicContact CG1-CG1 3.6Å
157	V	93.4	Very high	93.6	Very high	47 Å²	47	54.5 Å²	54.5	29%	0.285	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	-45.5	-179.4	179.1	0	0	0	0	110.1	V71 M73 W121 R155	V71-V157 HydrophobicContact CB-CB 4.49Å; V71-V157 HydrophobicContact CG1-CB 4.14Å; V71-V157 PolarHBondContact O-N 3.18Å; M73-V157 HydrophobicContact CB-CG2 3.69Å; W121-V157 HydrophobicContact CZ3-CG1 4.38Å; R155-V157 HydrophobicContact CG-CG2 4.48Å
158	N	93.4	Very high	93.4	Very high	37 Å²	37	53.8 Å²	53.8	20%	0.198	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	143	-179.3	-172.3	22.8	0	0	0	109.9	V71 G216	V71-N158 HydrophobicContact CB-CB 4.25Å; V71-N158 HydrophobicContact CG2-CB 4.43Å; V71-N158 PolarHBondContact N-O 3.47Å; V71-N158 PolarHBondContact O-N 2.8Å; N158-G216 CarbonylContact C-O 3.55Å; N158-G216 PolarHBondContact OD1-N 2.7Å; N158-G216 VanDerWaalsContact OD1-N 3.15Å; N158-G216 PolarHBondContact OD1-O 3.31Å; N158-G216 VanDerWaalsContact OD1-O 3.08Å
159	I	94.6	Very high	93.4	Very high	4 Å²	4	48.5 Å²	48.5	2%	0.021	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	126.4	172.9	-57.3	170.9	0	0	0	106.2	I67 L128 V156 M215 G216 I222	I67-I159 HydrophobicContact CG1-CG2 4.44Å; I67-I159 HydrophobicContact CG2-CG2 4.07Å; L128-I159 HydrophobicContact CD2-CD1 3.94Å; L128-I159 HydrophobicContact CD2-CG1 4.26Å; V156-I159 HydrophobicContact CG1-CD1 4.06Å; V156-I159 HydrophobicContact CG1-CG1 3.6Å; I159-M215 WeakPolarHBondContact O-CA 3.3Å; I159-G216 PolarHBondContact N-O 3.49Å; I159-G216 PolarHBondContact O-N 3.13Å; I159-I222 HydrophobicContact CB-CD1 3.79Å; I159-I222 HydrophobicContact CG2-CD1 3.78Å
160	M	94.7	Very high	93.4	Very high	55 Å²	55	50.4 Å²	50.4	27%	0.271	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	121.8	170.7	-171.6	178.4	-74	0	0	108.6	T68 N69 V213 I214 M215	T68-M160 PolarHBondContact N-O 3.42Å; T68-M160 WeakPolarHBondContact OG1-CG 3.34Å; T68-M160 PolarHBondContact OG1-O 3.24Å; N69-M160 HydrophobicContact CB-CB 4.16Å; N69-M160 PolarHBondContact N-O 3.07Å; N69-M160 PolarHBondContact O-N 3.44Å; M160-V213 HydrophobicContact CG-CG1 4.31Å; M160-I214 CarbonylContact C-O 3.54Å; M160-I214 VanDerWaalsContact CA-O 3.3Å; M160-I214 WeakPolarHBondContact CA-O 3.45Å; M160-M215 HydrophobicContact CE-CG 4.05Å; M160-M215 HydrophobicContact CE-SD 3.83Å; M160-M215 HydrophobicContact CG-CG 4.4Å
161	A	94.6	Very high	93.3	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.008	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	152.8	176.2	0	0	0	0	0	110.1	S66 I214 I222	S66-A161 CarbonylContact O-C 3.14Å; S66-A161 VanDerWaalsContact O-CA 3.3Å; S66-A161 WeakPolarHBondContact O-CA 3.18Å; A161-I214 PolarHBondContact N-O 3.35Å; A161-I214 PolarHBondContact O-N 3.46Å; A161-I222 HydrophobicContact CB-CD1 4.39Å; A161-I222 HydrophobicContact CB-CG2 4.02Å
162	T	94.1	Very high	93.2	Very high	47 Å²	47	47.1 Å²	47.1	29%	0.288	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	144.3	175.1	54.6	0	0	0	0	110.1	S66 T68 I212 V213	S66-T162 PolarHBondContact N-O 2.99Å; S66-T162 PolarHBondContact O-N 2.88Å; S66-T162 PolarHBondContact O-OG1 3.24Å; T68-T162 HydrophobicContact CG2-CG2 3.55Å; T68-T162 WeakPolarHBondContact CG2-OG1 3.3Å; T162-I212 VanDerWaalsContact CA-O 3.27Å; T162-I212 WeakPolarHBondContact CA-O 3.27Å; T162-V213 HydrophobicContact CG2-CG2 4.23Å
163	C	92	Very high	93	Very high	7 Å²	7	50 Å²	50	5%	0.047	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	150.1	178	-152.5	0	0	0	0	109.1	L63 L65 I212	L63-C163 WeakPolarHBondContact CD1-SG 3.46Å; L63-C163 VanDerWaalsContact CD2-SG 3.51Å; L63-C163 WeakPolarHBondContact CG-SG 3.03Å; L65-C163 HydrophobicContact CD2-CB 3.57Å; L65-C163 WeakPolarHBondContact CD2-SG 3.37Å; C163-I212 HydrophobicContact CB-CB 3.95Å; C163-I212 HydrophobicContact CB-CD1 4.33Å; C163-I212 PolarHBondContact N-O 3.5Å; C163-I212 PolarHBondContact O-N 3.45Å
164	K	91.8	Very high	92.8	Very high	86 Å²	86	42.7 Å²	42.7	37%	0.374	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	119.3	173.7	-174.2	-175.7	176.4	-169	0	109	L63 V245	L63-K164 WeakPolarHBondContact CD1-O 3.37Å; K164-V245 VanDerWaalsContact NZ-CG2 3.35Å
165	L	90.1	Very high	92.7	Very high	2 Å²	2	41 Å²	41	1%	0.01	20%	0.203	C	C	.	.			trans	-73.7	149.3	171	-59.3	176.6	0	0	0	110.1	L63 F167 V169 L206 G210 I212 V230 A233	L63-L165 HydrophobicContact CD1-CD2 4.13Å; L63-L165 HydrophobicContact CD2-CD2 4.12Å; L165-F167 HydrophobicContact CB-CD2 4.48Å; L165-F167 HydrophobicContact CB-CE2 4.31Å; L165-F167 HydrophobicContact CB-CZ 4.38Å; L165-F167 HydrophobicContact CD1-CE2 3.87Å; L165-F167 HydrophobicContact CD1-CZ 4.2Å; L165-F167 PolarHBondContact O-N 3.22Å; L165-V169 HydrophobicContact CD1-CG2 3.93Å; L165-L206 HydrophobicContact CD1-CD1 4.02Å; L165-G210 WeakPolarHBondContact CB-O 3.29Å; L165-G210 WeakPolarHBondContact CG-O 3.34Å; L165-G210 PolarHBondContact N-O 2.95Å; L165-I212 HydrophobicContact CD1-CD1 3.95Å; L165-I212 HydrophobicContact CD1-CG1 4.48Å; L165-I212 HydrophobicContact CD2-CD1 3.85Å; L165-I212 HydrophobicContact CG-CD1 3.73Å; L165-I212 HydrophobicContact CG-CG1 4.34Å; L165-V230 HydrophobicContact CD2-CG2 3.95Å; L165-A233 HydrophobicContact CD1-CB 3.94Å
166	P	88.2	Confident	92.5	Very high	70 Å²	70	41.6 Å²	41.6	46%	0.455	21%	0.21	S	C	.	.	S	Bend	trans	-75.9	-1	178.5	30.1	-32.8	0	0	0	113.8	V242 Y599	P166-V242 VanDerWaalsContact O-CG2 3.24Å; P166-V242 WeakPolarHBondContact O-CG2 3.32Å; P166-Y599 HydrophobicContact CG-CE1 4.49Å
167	F	89.3	Confident	92.2	Very high	16 Å²	16	44.2 Å²	44.2	7%	0.07	22%	0.218	C	C	.	.	S	Bend	trans	-134.2	157.6	-178.8	49.2	-99.5	0	0	0	111.4	L165 V169 G210 A233 A234 Q237 V242 Y599	L165-F167 HydrophobicContact CB-CD2 4.48Å; L165-F167 HydrophobicContact CB-CE2 4.31Å; L165-F167 HydrophobicContact CB-CZ 4.38Å; L165-F167 HydrophobicContact CD1-CE2 3.87Å; L165-F167 HydrophobicContact CD1-CZ 4.2Å; L165-F167 PolarHBondContact O-N 3.22Å; F167-V169 HydrophobicContact CD2-CG2 3.96Å; F167-V169 HydrophobicContact CE2-CG2 3.9Å; F167-G210 WeakPolarHBondContact O-CA 3.04Å; F167-A233 HydrophobicContact CE2-CB 4.3Å; F167-A234 HydrophobicContact CE1-CB 4.32Å; F167-A234 HydrophobicContact CZ-CB 3.83Å; F167-Q237 HydrophobicContact CB-CB 4.24Å; F167-Q237 HydrophobicContact CD2-CB 3.77Å; F167-Q237 HydrophobicContact CE2-CB 4.34Å; F167-Q237 HydrophobicContact CG-CB 4.02Å; F167-V242 VanDerWaalsContact CA-CG2 3.5Å; F167-Y599 AromaticContact CE1-CE2 3.97Å; F167-Y599 HydrophobicContact CE1-CE2 3.97Å
168	G	91	Very high	92	Very high	6 Å²	6	45.7 Å²	45.7	6%	0.062	22%	0.219	C	C	.	.			trans	-76.9	158.4	166.6	0	0	0	0	0	111.7	S208 Q237 T238	G168-S208 CarbonylContact C-O 3.58Å; G168-S208 WeakPolarHBondContact CA-O 3.38Å; G168-Q237 CarbonylContact O-C 3.45Å; G168-Q237 WeakPolarHBondContact O-CA 3.42Å; G168-T238 WeakPolarHBondContact CA-OG1 3.23Å; G168-T238 PolarHBondContact O-N 3.47Å; G168-T238 PolarHBondContact O-OG1 3.41Å
169	V	92.2	Very high	91.7	Very high	2 Å²	2	48.4 Å²	48.4	1%	0.012	24%	0.239	C	C	.	.	B	Isolated β-bridge	trans	-128.4	133.7	-174.7	-172.6	0	0	0	0	111.2	L165 F167 L171 L174 L206 S208 A233 H236	L165-V169 HydrophobicContact CD1-CG2 3.93Å; F167-V169 HydrophobicContact CD2-CG2 3.96Å; F167-V169 HydrophobicContact CE2-CG2 3.9Å; V169-L171 HydrophobicContact CB-CD2 4.4Å; V169-L171 HydrophobicContact CG1-CD2 4.37Å; V169-L171 PolarHBondContact O-N 2.91Å; V169-L174 HydrophobicContact CG1-CD2 3.86Å; V169-L206 HydrophobicContact CB-CD2 4.31Å; V169-L206 HydrophobicContact CG1-CD2 4.02Å; V169-L206 HydrophobicContact CG2-CD1 4.38Å; V169-L206 HydrophobicContact CG2-CD2 4.38Å; V169-S208 PolarHBondContact N-O 3.18Å; V169-A233 HydrophobicContact CG1-CB 4.43Å; V169-A233 HydrophobicContact CG2-CB 4.23Å; V169-H236 HydrophobicContact CG1-CB 4.4Å
170	R	93.4	Very high	91.4	Very high	73 Å²	73	55.8 Å²	55.8	28%	0.275	28%	0.275	S	S	.	.			trans	-77.9	96.3	171.8	-65.9	-169.1	-66.2	-84.4	-13.2	110.3	E172 E173 L174 H236 Q237 T238	R170-E172 VanDerWaalsContact C-N 3.35Å; R170-E172 PolarHBondContact O-N 2.75Å; R170-E173 HydrophobicContact CB-CB 4.36Å; R170-E173 IonicContact CZ-OE2 3.25Å; R170-E173 VanDerWaalsContact NE-CD 3.3Å; R170-E173 IonicContact NE-OE1 2.68Å; R170-E173 PolarHBondContact NE-OE1 3.3Å; R170-E173 IonicContact NE-OE2 2.84Å; R170-E173 PolarHBondContact NE-OE2 2.81Å; R170-E173 IonicContact NH2-OE2 3.45Å; R170-E173 PolarHBondContact NH2-OE2 2.79Å; R170-E173 PolarHBondContact O-N 3.08Å; R170-L174 WeakPolarHBondContact O-CB 3.44Å; R170-L174 PolarHBondContact O-N 3.38Å; R170-L174 VanDerWaalsContact O-N 3.14Å; R170-H236 PolarHBondContact N-O 3.42Å; R170-Q237 PolarHBondContact NH1-O 3.28Å; R170-Q237 PolarHBondContact NH2-O 3.04Å; R170-T238 HydrophobicContact CG-CG2 3.53Å
171	L	93.6	Very high	91.1	Very high	1 Å²	1	56 Å²	56	1%	0.005	28%	0.275	C	S	.	.	H	α-helix	trans	-67.2	-35.1	-173.5	-58.8	-175.9	0	0	0	112.8	V169 E173 L174 V175 Y184 L192 L206	V169-L171 HydrophobicContact CB-CD2 4.4Å; V169-L171 HydrophobicContact CG1-CD2 4.37Å; V169-L171 PolarHBondContact O-N 2.91Å; L171-E173 VanDerWaalsContact C-N 3.3Å; L171-E173 PolarHBondContact O-N 2.85Å; L171-L174 PolarHBondContact O-N 3.05Å; L171-V175 PolarHBondContact O-N 3.24Å; L171-V175 VanDerWaalsContact O-N 3.16Å; L171-Y184 HydrophobicContact CB-CD1 4.23Å; L171-Y184 HydrophobicContact CB-CD2 4.15Å; L171-Y184 HydrophobicContact CB-CE1 4.1Å; L171-Y184 HydrophobicContact CB-CE2 4.01Å; L171-Y184 HydrophobicContact CB-CG 4.24Å; L171-Y184 HydrophobicContact CD1-CD2 3.96Å; L171-Y184 HydrophobicContact CD1-CE2 3.44Å; L171-Y184 VanDerWaalsContact CD1-CE2 3.44Å; L171-Y184 HydrophobicContact CG-CE2 4.38Å; L171-L192 HydrophobicContact CD1-CB 4.38Å; L171-L192 HydrophobicContact CD2-CB 4.03Å; L171-L192 HydrophobicContact CD2-CD1 4.41Å; L171-L206 HydrophobicContact CD2-CD2 3.89Å; L171-L206 HydrophobicContact CD2-CG 3.89Å
172	E	92.7	Very high	91	Very high	107 Å²	107	56.1 Å²	56.1	50%	0.5	28%	0.276	S	S	.	.	H	α-helix	trans	-65.4	-33	-178.5	-64.4	74.7	-166.1	0	0	112.5	R170 K176 Y184	R170-E172 VanDerWaalsContact C-N 3.35Å; R170-E172 PolarHBondContact O-N 2.75Å; E172-K176 WeakPolarHBondContact O-CE 3.38Å; E172-Y184 HydrophobicContact CG-CD1 4.37Å; E172-Y184 HydrophobicContact CG-CE1 3.86Å; E172-Y184 WeakPolarHBondContact OE1-CE1 3.35Å; E172-Y184 PolarHBondContact OE1-OH 3.34Å
173	E	91.4	Very high	90.9	Very high	76 Å²	76	56.9 Å²	56.9	36%	0.355	28%	0.283	S	S	.	.	H	α-helix	trans	-82	-42.1	176.1	-68	174.6	-164.5	0	0	110.8	R170 L171 V175 K176 H236	R170-E173 HydrophobicContact CB-CB 4.36Å; R170-E173 IonicContact CZ-OE2 3.25Å; R170-E173 VanDerWaalsContact NE-CD 3.3Å; R170-E173 IonicContact NE-OE1 2.68Å; R170-E173 PolarHBondContact NE-OE1 3.3Å; R170-E173 IonicContact NE-OE2 2.84Å; R170-E173 PolarHBondContact NE-OE2 2.81Å; R170-E173 IonicContact NH2-OE2 3.45Å; R170-E173 PolarHBondContact NH2-OE2 2.79Å; R170-E173 PolarHBondContact O-N 3.08Å; L171-E173 VanDerWaalsContact C-N 3.3Å; L171-E173 PolarHBondContact O-N 2.85Å; E173-V175 VanDerWaalsContact C-N 3.31Å; E173-V175 PolarHBondContact O-N 3.11Å; E173-K176 VanDerWaalsContact O-CB 3.31Å; E173-K176 WeakPolarHBondContact O-CB 3.48Å; E173-K176 PolarHBondContact O-N 2.8Å; E173-H236 WeakPolarHBondContact CB-ND1 3.34Å; E173-H236 IonicContact OE2-ND1 2.65Å
174	L	92.1	Very high	91	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-58.5	-38.6	-179.3	-178.7	59.1	0	0	0	113.3	V169 R170 L171 K176 E177 M182 L192 L206 I232 H236	V169-L174 HydrophobicContact CG1-CD2 3.86Å; R170-L174 WeakPolarHBondContact O-CB 3.44Å; R170-L174 PolarHBondContact O-N 3.38Å; R170-L174 VanDerWaalsContact O-N 3.14Å; L171-L174 PolarHBondContact O-N 3.05Å; L174-K176 PolarHBondContact O-N 3.28Å; L174-E177 WeakPolarHBondContact O-CB 3.5Å; L174-E177 PolarHBondContact O-N 2.85Å; L174-M182 HydrophobicContact CD1-CE 4.27Å; L174-M182 HydrophobicContact CD1-SD 4.13Å; L174-M182 HydrophobicContact CG-CE 4.49Å; L174-M182 HydrophobicContact CG-SD 3.88Å; L174-M182 VanDerWaalsContact O-SD 3.42Å; L174-L192 HydrophobicContact CB-CD1 4.12Å; L174-L192 HydrophobicContact CD2-CD1 3.89Å; L174-L192 HydrophobicContact CG-CD1 3.92Å; L174-L206 HydrophobicContact CD2-CD2 3.38Å; L174-I232 HydrophobicContact CD1-CB 4.16Å; L174-I232 HydrophobicContact CD1-CG2 3.36Å; L174-H236 HydrophobicContact CB-CB 4.42Å
175	V	92.8	Very high	91.1	Very high	30 Å²	30	60.1 Å²	60.1	18%	0.182	30%	0.297	C	S	.	.	H	α-helix	trans	-60.3	-31.2	176.3	171	0	0	0	0	112.7	L171 E173 E177 R178 M182 Y184 L192	L171-V175 PolarHBondContact O-N 3.24Å; L171-V175 VanDerWaalsContact O-N 3.16Å; E173-V175 VanDerWaalsContact C-N 3.31Å; E173-V175 PolarHBondContact O-N 3.11Å; V175-E177 PolarHBondContact O-N 3.42Å; V175-R178 CarbonylContact O-C 3.52Å; V175-R178 PolarHBondContact O-N 3.45Å; V175-M182 HydrophobicContact CG2-CB 4.22Å; V175-Y184 HydrophobicContact CG2-CG 4.47Å; V175-L192 HydrophobicContact CG2-CD1 3.36Å; V175-L192 HydrophobicContact CG2-CG 3.88Å
176	K	91.6	Very high	91.2	Very high	158 Å²	158	63.3 Å²	63.3	69%	0.687	32%	0.318	S	S	*	.	H	α-helix	trans	-68.7	-25.2	-177.3	-60.1	174.9	-174.7	169.3	0	112.4	E172 E173 L174	E172-K176 WeakPolarHBondContact O-CE 3.38Å; E173-K176 VanDerWaalsContact O-CB 3.31Å; E173-K176 WeakPolarHBondContact O-CB 3.48Å; E173-K176 PolarHBondContact O-N 2.8Å; L174-K176 PolarHBondContact O-N 3.28Å
177	E	89.8	Confident	91.5	Very high	103 Å²	103	68.5 Å²	68.5	48%	0.481	34%	0.336	S	S	.	.	H	α-helix	trans	-64.7	-40.5	175.6	-64.2	-62.5	156.8	0	0	111.8	L174 V175 I232 H236	L174-E177 WeakPolarHBondContact O-CB 3.5Å; L174-E177 PolarHBondContact O-N 2.85Å; V175-E177 PolarHBondContact O-N 3.42Å; E177-I232 HydrophobicContact CB-CG2 4.31Å; E177-I232 HydrophobicContact CG-CG2 4.24Å; E177-H236 VanDerWaalsContact CG-NE2 3.26Å; E177-H236 WeakPolarHBondContact CG-NE2 3.45Å; E177-H236 IonicContact OE1-CE1 3.87Å; E177-H236 PolarHBondContact OE1-CE1 3.22Å; E177-H236 IonicContact OE1-NE2 3.61Å; E177-H236 PolarHBondContact OE1-NE2 3.47Å
178	R	89.1	Confident	91.6	Very high	78 Å²	78	74.9 Å²	74.9	29%	0.294	37%	0.37	S	S	.	.			trans	-140.9	69.3	-175.2	-63.6	-167.3	-175.7	166.2	-2.3	112.9	V175 M180 Q181 M182 E228 I232	V175-R178 CarbonylContact O-C 3.52Å; V175-R178 PolarHBondContact O-N 3.45Å; R178-M180 PolarHBondContact O-N 3.41Å; R178-M180 VanDerWaalsContact O-N 3.1Å; R178-Q181 HydrophobicContact CB-CB 4.49Å; R178-Q181 PolarHBondContact O-N 2.94Å; R178-Q181 VanDerWaalsContact O-N 3.1Å; R178-M182 HydrophobicContact CB-CE 4.37Å; R178-M182 HydrophobicContact CB-CG 4.2Å; R178-M182 HydrophobicContact CB-SD 4.18Å; R178-M182 WeakPolarHBondContact O-CB 3.48Å; R178-M182 PolarHBondContact O-N 3.01Å; R178-E228 IonicContact CZ-OE1 3.37Å; R178-E228 IonicContact NH1-OE1 2.78Å; R178-E228 PolarHBondContact NH1-OE1 3.38Å; R178-E228 IonicContact NH2-OE1 2.69Å; R178-I232 VanDerWaalsContact NH1-CD1 3.32Å
179	P	87.6	Confident	91.6	Very high	95 Å²	95	76 Å²	76	62%	0.617	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-20.4	-175.1	25.8	-35.6	0	0	0	114
180	M	87.2	Confident	91.7	Very high	159 Å²	159	80.4 Å²	80.4	78%	0.783	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-26.5	177.4	-67.6	-174.5	69.8	0	0	113.6	R178	R178-M180 PolarHBondContact O-N 3.41Å; R178-M180 VanDerWaalsContact O-N 3.1Å
181	Q	88.8	Confident	91.7	Very high	59 Å²	59	77.1 Å²	77.1	28%	0.276	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.8	-27.5	-174.7	-69.9	176.2	-17	0	0	112.6	R178 F194 K195 T196	R178-Q181 HydrophobicContact CB-CB 4.49Å; R178-Q181 PolarHBondContact O-N 2.94Å; R178-Q181 VanDerWaalsContact O-N 3.1Å; Q181-F194 HydrophobicContact CB-CD2 3.93Å; Q181-F194 HydrophobicContact CB-CE2 3.6Å; Q181-F194 HydrophobicContact CG-CE2 4.46Å; Q181-F194 WeakPolarHBondContact O-CA 3.11Å; Q181-K195 VanDerWaalsContact CB-O 3.31Å; Q181-K195 WeakPolarHBondContact CB-O 3.48Å; Q181-K195 WeakPolarHBondContact CG-O 3.48Å; Q181-K195 PolarHBondContact O-N 3.35Å; Q181-T196 PolarHBondContact NE2-O 3.4Å
182	M	92.3	Very high	91.7	Very high	4 Å²	4	77 Å²	77	2%	0.02	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	129.7	-178.2	-63.7	-178.7	-178.1	0	0	110.5	L174 V175 R178 L192 T193 F194 L229 I232	L174-M182 HydrophobicContact CD1-CE 4.27Å; L174-M182 HydrophobicContact CD1-SD 4.13Å; L174-M182 HydrophobicContact CG-CE 4.49Å; L174-M182 HydrophobicContact CG-SD 3.88Å; L174-M182 VanDerWaalsContact O-SD 3.42Å; V175-M182 HydrophobicContact CG2-CB 4.22Å; R178-M182 HydrophobicContact CB-CE 4.37Å; R178-M182 HydrophobicContact CB-CG 4.2Å; R178-M182 HydrophobicContact CB-SD 4.18Å; R178-M182 WeakPolarHBondContact O-CB 3.48Å; R178-M182 PolarHBondContact O-N 3.01Å; M182-L192 HydrophobicContact CB-CD1 4.48Å; M182-L192 HydrophobicContact CB-CD2 4.05Å; M182-L192 HydrophobicContact CB-CG 4.43Å; M182-L192 HydrophobicContact CG-CD2 4.01Å; M182-L192 HydrophobicContact SD-CD1 4.42Å; M182-L192 HydrophobicContact SD-CD2 4.36Å; M182-T193 WeakPolarHBondContact CA-O 3.16Å; M182-F194 HydrophobicContact CE-CD2 3.69Å; M182-F194 HydrophobicContact CE-CE2 3.66Å; M182-F194 HydrophobicContact CE-CG 4.34Å; M182-F194 HydrophobicContact CE-CZ 4.31Å; M182-F194 HydrophobicContact CG-CB 4.45Å; M182-F194 HydrophobicContact CG-CD2 3.38Å; M182-F194 HydrophobicContact CG-CE2 3.98Å; M182-F194 HydrophobicContact CG-CG 4.29Å; M182-F194 HydrophobicContact SD-CD2 4.4Å; M182-L229 HydrophobicContact CE-CD1 3.95Å; M182-I232 HydrophobicContact CE-CD1 4.32Å
183	S	92	Very high	91.7	Very high	63 Å²	63	73.1 Å²	73.1	44%	0.441	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	127	173.9	63.9	0	0	0	0	109.8	T193	S183-T193 PolarHBondContact N-O 3.01Å; S183-T193 PolarHBondContact O-N 2.85Å
184	Y	94.7	Very high	91.8	Very high	44 Å²	44	69.5 Å²	69.5	17%	0.173	36%	0.363	C	S	.	.			trans	-129.1	112.4	175.4	177.9	-118.4	0	0	0	109.3	L171 E172 V175 P186 L192	L171-Y184 HydrophobicContact CB-CD1 4.23Å; L171-Y184 HydrophobicContact CB-CD2 4.15Å; L171-Y184 HydrophobicContact CB-CE1 4.1Å; L171-Y184 HydrophobicContact CB-CE2 4.01Å; L171-Y184 HydrophobicContact CB-CG 4.24Å; L171-Y184 HydrophobicContact CD1-CD2 3.96Å; L171-Y184 HydrophobicContact CD1-CE2 3.44Å; L171-Y184 VanDerWaalsContact CD1-CE2 3.44Å; L171-Y184 HydrophobicContact CG-CE2 4.38Å; E172-Y184 HydrophobicContact CG-CD1 4.37Å; E172-Y184 HydrophobicContact CG-CE1 3.86Å; E172-Y184 WeakPolarHBondContact OE1-CE1 3.35Å; E172-Y184 PolarHBondContact OE1-OH 3.34Å; V175-Y184 HydrophobicContact CG2-CG 4.47Å; Y184-P186 HydrophobicContact CE1-CB 4.34Å; Y184-P186 HydrophobicContact CE1-CG 4.03Å; Y184-P186 HydrophobicContact CE2-CB 4.26Å; Y184-L192 HydrophobicContact CD2-CB 4.21Å
185	E	92.9	Very high	91.5	Very high	117 Å²	117	75.2 Å²	75.2	55%	0.547	39%	0.387	S	S	.	.			trans	-130.5	83.7	-179	-69.5	-67.7	167.3	0	0	106.7	E187 L188 A189	E185-E187 PolarHBondContact O-N 3.3Å; E185-E187 VanDerWaalsContact O-N 3.11Å; E185-L188 HydrophobicContact CB-CB 4.09Å; E185-L188 HydrophobicContact CB-CD1 3.97Å; E185-L188 HydrophobicContact CB-CG 4.13Å; E185-L188 HydrophobicContact CG-CD1 4.35Å; E185-L188 WeakPolarHBondContact O-CA 3.37Å; E185-L188 PolarHBondContact O-N 2.81Å; E185-A189 PolarHBondContact O-N 3.4Å; E185-A189 VanDerWaalsContact O-O 3.13Å
186	P	92.9	Very high	90.8	Very high	68 Å²	68	75.6 Å²	75.6	44%	0.442	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-26.8	-171.9	21.3	-32.3	0	0	0	113.1	Y184 L188 A189	Y184-P186 HydrophobicContact CE1-CB 4.34Å; Y184-P186 HydrophobicContact CE1-CG 4.03Å; Y184-P186 HydrophobicContact CE2-CB 4.26Å; P186-L188 VanDerWaalsContact C-N 3.26Å; P186-L188 PolarHBondContact O-N 2.78Å; P186-A189 WeakPolarHBondContact CA-O 3.36Å
187	E	93.4	Very high	90.2	Very high	179 Å²	179	71.8 Å²	71.8	84%	0.836	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-23	173.8	-61.2	-62.1	164.4	0	0	113.5	E185	E185-E187 PolarHBondContact O-N 3.3Å; E185-E187 VanDerWaalsContact O-N 3.11Å
188	L	93.1	Very high	89.2	Confident	151 Å²	151	75 Å²	75	79%	0.791	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101	-44.6	177.7	-63.4	-179.6	0	0	0	112.1	E185 P186	E185-L188 HydrophobicContact CB-CB 4.09Å; E185-L188 HydrophobicContact CB-CD1 3.97Å; E185-L188 HydrophobicContact CB-CG 4.13Å; E185-L188 HydrophobicContact CG-CD1 4.35Å; E185-L188 WeakPolarHBondContact O-CA 3.37Å; E185-L188 PolarHBondContact O-N 2.81Å; P186-L188 VanDerWaalsContact C-N 3.26Å; P186-L188 PolarHBondContact O-N 2.78Å
189	A	90.8	Very high	88.2	Confident	29 Å²	29	77.9 Å²	77.9	24%	0.24	42%	0.417	C	S	.	.			trans	-151.3	137.7	178.4	0	0	0	0	0	111	E185 P186 G191	E185-A189 PolarHBondContact O-N 3.4Å; E185-A189 VanDerWaalsContact O-O 3.13Å; P186-A189 WeakPolarHBondContact CA-O 3.36Å; A189-G191 PolarHBondContact O-N 2.81Å
190	P	93.7	Very high	87.6	Confident	94 Å²	94	75.5 Å²	75.5	61%	0.61	40%	0.402	S	S	*	.	S	Bend	trans	-73.4	0.5	-175.6	30.2	-36.5	0	0	0	114.5	F207	P190-F207 HydrophobicContact CG-CE1 4.2Å
191	G	93	Very high	87.2	Confident	4 Å²	4	72.4 Å²	72.4	4%	0.041	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	144.2	-177.6	0	0	0	0	0	111.5	A189 T193 L206	A189-G191 PolarHBondContact O-N 2.81Å; G191-T193 PolarHBondContact O-N 2.85Å; G191-L206 CarbonylContact C-O 3.6Å; G191-L206 WeakPolarHBondContact CA-O 3.36Å
192	L	94	Very high	87.1	Confident	0 Å²	0	69.8 Å²	69.8	0%	0	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	127.8	172.7	-179.6	160.5	0	0	0	109	L171 L174 V175 M182 Y184 F194 K205 L206	L171-L192 HydrophobicContact CD1-CB 4.38Å; L171-L192 HydrophobicContact CD2-CB 4.03Å; L171-L192 HydrophobicContact CD2-CD1 4.41Å; L174-L192 HydrophobicContact CB-CD1 4.12Å; L174-L192 HydrophobicContact CD2-CD1 3.89Å; L174-L192 HydrophobicContact CG-CD1 3.92Å; V175-L192 HydrophobicContact CG2-CD1 3.36Å; V175-L192 HydrophobicContact CG2-CG 3.88Å; M182-L192 HydrophobicContact CB-CD1 4.48Å; M182-L192 HydrophobicContact CB-CD2 4.05Å; M182-L192 HydrophobicContact CB-CG 4.43Å; M182-L192 HydrophobicContact CG-CD2 4.01Å; M182-L192 HydrophobicContact SD-CD1 4.42Å; M182-L192 HydrophobicContact SD-CD2 4.36Å; Y184-L192 HydrophobicContact CD2-CB 4.21Å; L192-F194 HydrophobicContact CD2-CB 4.14Å; L192-K205 CarbonylContact O-C 3.53Å; L192-K205 VanDerWaalsContact O-CA 3.26Å; L192-K205 WeakPolarHBondContact O-CA 3.39Å; L192-L206 PolarHBondContact N-O 3.29Å; L192-L206 PolarHBondContact O-N 3.41Å
193	T	93.6	Very high	87	Confident	25 Å²	25	70.5 Å²	70.5	15%	0.153	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	122.3	174.1	-59.9	0	0	0	0	109.4	M182 S183 G191 K195 L204	M182-T193 WeakPolarHBondContact CA-O 3.16Å; S183-T193 PolarHBondContact N-O 3.01Å; S183-T193 PolarHBondContact O-N 2.85Å; G191-T193 PolarHBondContact O-N 2.85Å; T193-K195 HydrophobicContact CG2-CG 4.23Å; T193-L204 CarbonylContact C-O 3.59Å; T193-L204 WeakPolarHBondContact CA-O 3.23Å
194	F	91.9	Very high	87.1	Confident	0 Å²	0	67.5 Å²	67.5	0%	0	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	126.8	175.2	-178.1	-127.2	0	0	0	109.8	Q181 M182 L192 L204 L225 L229	Q181-F194 HydrophobicContact CB-CD2 3.93Å; Q181-F194 HydrophobicContact CB-CE2 3.6Å; Q181-F194 HydrophobicContact CG-CE2 4.46Å; Q181-F194 WeakPolarHBondContact O-CA 3.11Å; M182-F194 HydrophobicContact CE-CD2 3.69Å; M182-F194 HydrophobicContact CE-CE2 3.66Å; M182-F194 HydrophobicContact CE-CG 4.34Å; M182-F194 HydrophobicContact CE-CZ 4.31Å; M182-F194 HydrophobicContact CG-CB 4.45Å; M182-F194 HydrophobicContact CG-CD2 3.38Å; M182-F194 HydrophobicContact CG-CE2 3.98Å; M182-F194 HydrophobicContact CG-CG 4.29Å; M182-F194 HydrophobicContact SD-CD2 4.4Å; L192-F194 HydrophobicContact CD2-CB 4.14Å; F194-L204 HydrophobicContact CB-CB 4.29Å; F194-L204 HydrophobicContact CB-CD2 4.1Å; F194-L204 PolarHBondContact N-O 2.97Å; F194-L204 PolarHBondContact O-N 3.45Å; F194-L225 HydrophobicContact CD1-CD1 3.6Å; F194-L225 HydrophobicContact CD1-CG 4.14Å; F194-L225 HydrophobicContact CE1-CD1 3.32Å; F194-L225 HydrophobicContact CE1-CG 4.2Å; F194-L225 HydrophobicContact CZ-CD1 4.41Å; F194-L229 HydrophobicContact CD1-CD1 4.41Å
195	K	87.5	Confident	87	Confident	119 Å²	119	69.2 Å²	69.2	52%	0.517	38%	0.377	S	S	.	.			trans	-127.5	120.2	176.5	-64	179.9	-179.8	178.4	0	108.4	Q181 T193	Q181-K195 VanDerWaalsContact CB-O 3.31Å; Q181-K195 WeakPolarHBondContact CB-O 3.48Å; Q181-K195 WeakPolarHBondContact CG-O 3.48Å; Q181-K195 PolarHBondContact O-N 3.35Å; T193-K195 HydrophobicContact CG2-CG 4.23Å
196	T	78.1	Confident	87.1	Confident	38 Å²	38	63.7 Å²	63.7	23%	0.233	35%	0.351	C	S	.	.	S	Bend	trans	-65.9	-53.6	-179.9	-46.2	0	0	0	0	111.4	Q181 L225	Q181-T196 PolarHBondContact NE2-O 3.4Å; T196-L225 WeakPolarHBondContact OG1-CD1 3.24Å
197	D	77.8	Confident	87.2	Confident	79 Å²	79	63.3 Å²	63.3	42%	0.422	34%	0.343	S	S	.	.			trans	-127.5	145.5	-176.6	-63.4	-41.2	0	0	0	110.4	N199 S200	D197-N199 PolarHBondContact O-N 2.85Å; D197-S200 PolarHBondContact O-N 3.11Å
198	I	68.2	Low	87.2	Confident	169 Å²	169	58 Å²	58	87%	0.867	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-24.3	176.7	-145	161	0	0	0	112.3
199	N	68.5	Low	87.2	Confident	140 Å²	140	54 Å²	54	75%	0.749	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.9	-11.1	-178.1	-63.5	-33.2	0	0	0	113.4	D197	D197-N199 PolarHBondContact O-N 2.85Å
200	S	75.3	Confident	87.2	Confident	44 Å²	44	52.7 Å²	52.7	31%	0.308	30%	0.296	S	S	.	.			trans	-83	132.2	179.4	-175.8	0	0	0	0	109.8	D197 T202	D197-S200 PolarHBondContact O-N 3.11Å; S200-T202 PolarHBondContact O-N 2.88Å; S200-T202 WeakPolarHBondContact OG-CB 3.18Å; S200-T202 PolarHBondContact OG-N 2.84Å; S200-T202 VanDerWaalsContact OG-N 3.16Å; S200-T202 PolarHBondContact OG-OG1 2.84Å
201	S	78.9	Confident	87.2	Confident	95 Å²	95	55.3 Å²	55.3	66%	0.664	29%	0.294	S	S	*	.			trans	-71.9	-2.5	170.4	-172.7	0	0	0	0	112.1
202	T	87.6	Confident	87.3	Confident	4 Å²	4	55.2 Å²	55.2	3%	0.025	29%	0.293	C	S	.	.			trans	-78.1	124.6	179.6	-52.9	0	0	0	0	110.2	S200 M215 L225	S200-T202 PolarHBondContact O-N 2.88Å; S200-T202 WeakPolarHBondContact OG-CB 3.18Å; S200-T202 PolarHBondContact OG-N 2.84Å; S200-T202 VanDerWaalsContact OG-N 3.16Å; S200-T202 PolarHBondContact OG-OG1 2.84Å; T202-M215 CarbonylContact C-O 3.5Å; T202-M215 WeakPolarHBondContact CA-O 2.98Å; T202-M215 VanDerWaalsContact CG2-O 3.32Å; T202-M215 WeakPolarHBondContact CG2-O 3.48Å; T202-L225 HydrophobicContact CG2-CD2 3.73Å
203	S	89.9	Confident	87.3	Confident	19 Å²	19	57.1 Å²	57.1	13%	0.133	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	141.5	177.2	57	0	0	0	0	110.3	M215	S203-M215 PolarHBondContact N-O 2.83Å; S203-M215 PolarHBondContact O-N 2.93Å; S203-M215 VanDerWaalsContact OG-CE 3.23Å; S203-M215 WeakPolarHBondContact OG-CE 3.47Å
204	L	93.1	Very high	87.3	Confident	0 Å²	0	56 Å²	56	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	139.6	177.5	177.5	155.3	0	0	0	109.4	T193 F194 L206 I212 V213 I214 L225 L229	T193-L204 CarbonylContact C-O 3.59Å; T193-L204 WeakPolarHBondContact CA-O 3.23Å; F194-L204 HydrophobicContact CB-CB 4.29Å; F194-L204 HydrophobicContact CB-CD2 4.1Å; F194-L204 PolarHBondContact N-O 2.97Å; F194-L204 PolarHBondContact O-N 3.45Å; L204-L206 HydrophobicContact CD2-CB 4.05Å; L204-I212 HydrophobicContact CD1-CG2 3.61Å; L204-I212 HydrophobicContact CD2-CG2 3.93Å; L204-I212 HydrophobicContact CG-CG2 3.56Å; L204-V213 CarbonylContact C-O 3.48Å; L204-V213 WeakPolarHBondContact CA-O 3.26Å; L204-I214 HydrophobicContact CB-CG2 4.44Å; L204-I214 HydrophobicContact CD1-CD1 4.16Å; L204-I214 HydrophobicContact CD1-CG1 3.93Å; L204-I214 HydrophobicContact CG-CG1 4.1Å; L204-L225 HydrophobicContact CB-CD2 3.53Å; L204-L225 HydrophobicContact CB-CG 4.27Å; L204-L225 HydrophobicContact CD1-CD2 4Å; L204-L225 HydrophobicContact CD1-CG 3.95Å; L204-L225 HydrophobicContact CG-CD2 4.44Å; L204-L229 HydrophobicContact CD1-CB 4.48Å; L204-L229 HydrophobicContact CD1-CD2 3.54Å; L204-L229 HydrophobicContact CD2-CD2 3.37Å; L204-L229 HydrophobicContact CG-CD2 4.1Å
205	K	93.9	Very high	87.4	Confident	80 Å²	80	58.5 Å²	58.5	35%	0.348	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	120	171	-68.7	-172.8	176.3	-171.7	0	109.7	L192 F207 I212 V213	L192-K205 CarbonylContact O-C 3.53Å; L192-K205 VanDerWaalsContact O-CA 3.26Å; L192-K205 WeakPolarHBondContact O-CA 3.39Å; K205-F207 HydrophobicContact CB-CE2 4.42Å; K205-I212 CarbonylContact O-C 3.38Å; K205-I212 WeakPolarHBondContact O-CA 3.36Å; K205-V213 HydrophobicContact CB-CB 4.44Å; K205-V213 PolarHBondContact N-O 3.49Å; K205-V213 PolarHBondContact O-N 3.44Å
206	L	94.9	Very high	87.5	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	132.8	175.4	175.2	67.3	0	0	0	109.4	L165 V169 L171 L174 G191 L192 L204 I212 L229	L165-L206 HydrophobicContact CD1-CD1 4.02Å; V169-L206 HydrophobicContact CB-CD2 4.31Å; V169-L206 HydrophobicContact CG1-CD2 4.02Å; V169-L206 HydrophobicContact CG2-CD1 4.38Å; V169-L206 HydrophobicContact CG2-CD2 4.38Å; L171-L206 HydrophobicContact CD2-CD2 3.89Å; L171-L206 HydrophobicContact CD2-CG 3.89Å; L174-L206 HydrophobicContact CD2-CD2 3.38Å; G191-L206 CarbonylContact C-O 3.6Å; G191-L206 WeakPolarHBondContact CA-O 3.36Å; L192-L206 PolarHBondContact N-O 3.29Å; L192-L206 PolarHBondContact O-N 3.41Å; L204-L206 HydrophobicContact CD2-CB 4.05Å; L206-I212 HydrophobicContact CD1-CD1 4.24Å; L206-I212 HydrophobicContact CD1-CG1 3.56Å; L206-L229 HydrophobicContact CD2-CD2 4.47Å
207	F	95.2	Very high	88.1	Confident	61 Å²	61	53.9 Å²	53.9	27%	0.268	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	152.2	175.3	-62.3	-86.7	0	0	0	110.1	P190 K205 T209 G210 R211 V213	P190-F207 HydrophobicContact CG-CE1 4.2Å; K205-F207 HydrophobicContact CB-CE2 4.42Å; F207-T209 PolarHBondContact O-N 2.91Å; F207-G210 PolarHBondContact O-N 3.23Å; F207-R211 HydrophobicContact CB-CB 4.46Å; F207-R211 HydrophobicContact CD2-CB 4.2Å; F207-R211 WeakPolarHBondContact CD2-O 3.36Å; F207-R211 PolarHBondContact N-O 2.83Å; F207-V213 HydrophobicContact CE2-CG2 3.89Å
208	S	92.8	Very high	88.6	Confident	67 Å²	67	51.8 Å²	51.8	47%	0.469	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-28.9	177.9	54.1	0	0	0	0	113.1	G168 V169 G210	G168-S208 CarbonylContact C-O 3.58Å; G168-S208 WeakPolarHBondContact CA-O 3.38Å; V169-S208 PolarHBondContact N-O 3.18Å; S208-G210 PolarHBondContact O-N 3.35Å; S208-G210 VanDerWaalsContact O-N 3.15Å
209	T	92	Very high	89.7	Confident	68 Å²	68	45.9 Å²	45.9	42%	0.417	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-0.7	174	62.4	0	0	0	0	115.7	F207 R211	F207-T209 PolarHBondContact O-N 2.91Å; T209-R211 VanDerWaalsContact C-N 3.25Å; T209-R211 PolarHBondContact O-N 3.07Å
210	G	91.6	Very high	90.7	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	25%	0.252	C	S	.	.	S	Bend	trans	80	-1.4	-174.8	0	0	0	0	0	114.5	L165 F167 F207 S208	L165-G210 WeakPolarHBondContact CB-O 3.29Å; L165-G210 WeakPolarHBondContact CG-O 3.34Å; L165-G210 PolarHBondContact N-O 2.95Å; F167-G210 WeakPolarHBondContact O-CA 3.04Å; F207-G210 PolarHBondContact O-N 3.23Å; S208-G210 PolarHBondContact O-N 3.35Å; S208-G210 VanDerWaalsContact O-N 3.15Å
211	R	93.8	Very high	91.4	Very high	150 Å²	150	45.3 Å²	45.3	57%	0.566	25%	0.253	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.4	137.5	171.7	-69.5	-175.4	176.6	127.8	-3.6	110.4	F207 T209	F207-R211 HydrophobicContact CB-CB 4.46Å; F207-R211 HydrophobicContact CD2-CB 4.2Å; F207-R211 WeakPolarHBondContact CD2-O 3.36Å; F207-R211 PolarHBondContact N-O 2.83Å; T209-R211 VanDerWaalsContact C-N 3.25Å; T209-R211 PolarHBondContact O-N 3.07Å
212	I	94.3	Very high	92	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.005	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	132.3	177.8	-57.5	172.4	0	0	0	108.6	T162 C163 L165 L204 K205 L206 I214 L229	T162-I212 VanDerWaalsContact CA-O 3.27Å; T162-I212 WeakPolarHBondContact CA-O 3.27Å; C163-I212 HydrophobicContact CB-CB 3.95Å; C163-I212 HydrophobicContact CB-CD1 4.33Å; C163-I212 PolarHBondContact N-O 3.5Å; C163-I212 PolarHBondContact O-N 3.45Å; L165-I212 HydrophobicContact CD1-CD1 3.95Å; L165-I212 HydrophobicContact CD1-CG1 4.48Å; L165-I212 HydrophobicContact CD2-CD1 3.85Å; L165-I212 HydrophobicContact CG-CD1 3.73Å; L165-I212 HydrophobicContact CG-CG1 4.34Å; L204-I212 HydrophobicContact CD1-CG2 3.61Å; L204-I212 HydrophobicContact CD2-CG2 3.93Å; L204-I212 HydrophobicContact CG-CG2 3.56Å; K205-I212 CarbonylContact O-C 3.38Å; K205-I212 WeakPolarHBondContact O-CA 3.36Å; L206-I212 HydrophobicContact CD1-CD1 4.24Å; L206-I212 HydrophobicContact CD1-CG1 3.56Å; I212-I214 HydrophobicContact CG2-CD1 3.95Å; I212-I214 HydrophobicContact CG2-CG1 3.55Å; I212-L229 HydrophobicContact CD1-CD2 4.05Å
213	V	94.7	Very high	92.1	Very high	41 Å²	41	41.3 Å²	41.3	25%	0.248	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	123.3	170.9	-180	0	0	0	0	108.5	M160 T162 L204 K205 F207	M160-V213 HydrophobicContact CG-CG1 4.31Å; T162-V213 HydrophobicContact CG2-CG2 4.23Å; L204-V213 CarbonylContact C-O 3.48Å; L204-V213 WeakPolarHBondContact CA-O 3.26Å; K205-V213 HydrophobicContact CB-CB 4.44Å; K205-V213 PolarHBondContact N-O 3.49Å; K205-V213 PolarHBondContact O-N 3.44Å; F207-V213 HydrophobicContact CE2-CG2 3.89Å
214	I	93.6	Very high	92.1	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	134.8	-173.2	-42.8	170.9	0	0	0	108.4	L65 M160 A161 L204 I212 I222 L225 V226	L65-I214 HydrophobicContact CD2-CD1 4.19Å; M160-I214 CarbonylContact C-O 3.54Å; M160-I214 VanDerWaalsContact CA-O 3.3Å; M160-I214 WeakPolarHBondContact CA-O 3.45Å; A161-I214 PolarHBondContact N-O 3.35Å; A161-I214 PolarHBondContact O-N 3.46Å; L204-I214 HydrophobicContact CB-CG2 4.44Å; L204-I214 HydrophobicContact CD1-CD1 4.16Å; L204-I214 HydrophobicContact CD1-CG1 3.93Å; L204-I214 HydrophobicContact CG-CG1 4.1Å; I212-I214 HydrophobicContact CG2-CD1 3.95Å; I212-I214 HydrophobicContact CG2-CG1 3.55Å; I214-I222 HydrophobicContact CB-CG2 4.21Å; I214-I222 HydrophobicContact CD1-CG2 3.9Å; I214-I222 HydrophobicContact CG2-CB 4.35Å; I214-I222 HydrophobicContact CG2-CG1 4Å; I214-I222 HydrophobicContact CG2-CG2 3.97Å; I214-L225 HydrophobicContact CG2-CD2 4.05Å; I214-V226 HydrophobicContact CD1-CG2 3.13Å
215	M	93	Very high	92	Very high	53 Å²	53	44 Å²	44	26%	0.261	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	129.2	171.8	-62.4	-175.9	-63.1	0	0	107.8	I159 M160 T202 S203	I159-M215 WeakPolarHBondContact O-CA 3.3Å; M160-M215 HydrophobicContact CE-CG 4.05Å; M160-M215 HydrophobicContact CE-SD 3.83Å; M160-M215 HydrophobicContact CG-CG 4.4Å; T202-M215 CarbonylContact C-O 3.5Å; T202-M215 WeakPolarHBondContact CA-O 2.98Å; T202-M215 VanDerWaalsContact CG2-O 3.32Å; T202-M215 WeakPolarHBondContact CG2-O 3.48Å; S203-M215 PolarHBondContact N-O 2.83Å; S203-M215 PolarHBondContact O-N 2.93Å; S203-M215 VanDerWaalsContact OG-CE 3.23Å; S203-M215 WeakPolarHBondContact OG-CE 3.47Å
216	G	91.4	Very high	91.8	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	160.9	-179.4	0	0	0	0	0	112.4	N158 I159	N158-G216 CarbonylContact C-O 3.55Å; N158-G216 PolarHBondContact OD1-N 2.7Å; N158-G216 VanDerWaalsContact OD1-N 3.15Å; N158-G216 PolarHBondContact OD1-O 3.31Å; N158-G216 VanDerWaalsContact OD1-O 3.08Å; I159-G216 PolarHBondContact N-O 3.49Å; I159-G216 PolarHBondContact O-N 3.13Å
217	S	88.9	Confident	91.6	Very high	60 Å²	60	46 Å²	46	42%	0.42	26%	0.256	S	S	.	.	S	Bend	trans	-77.1	-32.1	179.3	50.3	0	0	0	0	113.2
218	S	89.9	Confident	91.3	Very high	36 Å²	36	46 Å²	46	25%	0.252	26%	0.257	S	S	.	.	S	Bend	trans	-128.6	158.8	-179.3	67.5	0	0	0	0	111.6	D220 S221 I222	S218-D220 VanDerWaalsContact C-N 3.32Å; S218-S221 WeakPolarHBondContact OG-CB 3.39Å; S218-S221 PolarHBondContact OG-N 2.81Å; S218-S221 PolarHBondContact OG-OG 2.75Å; S218-I222 WeakPolarHBondContact O-CG1 3.4Å; S218-I222 PolarHBondContact O-N 2.85Å
219	L	90.2	Very high	91.1	Very high	45 Å²	45	42.8 Å²	42.8	24%	0.236	23%	0.234	C	C	.	.	H	α-helix	trans	-69.1	-33.6	176.1	-170.9	60.4	0	0	0	111.5	I67 I222 G223 L603	I67-L219 HydrophobicContact CD1-CD1 4.45Å; L219-I222 WeakPolarHBondContact O-CB 3.44Å; L219-I222 PolarHBondContact O-N 2.83Å; L219-G223 PolarHBondContact O-N 2.8Å; L219-L603 HydrophobicContact CD1-CD2 3.89Å; L219-L603 HydrophobicContact CD2-CD1 3.9Å; L219-L603 HydrophobicContact CD2-CD2 4.18Å; L219-L603 HydrophobicContact CG-CD2 4.41Å
220	D	90.3	Very high	91	Very high	125 Å²	125	39.9 Å²	39.9	67%	0.668	22%	0.217	S	C	*	.	H	α-helix	trans	-66.9	-40.7	-179.5	-47.9	-49.7	0	0	0	111.9	S218 I222 G223 S224	S218-D220 VanDerWaalsContact C-N 3.32Å; D220-I222 VanDerWaalsContact C-N 3.29Å; D220-I222 PolarHBondContact O-N 2.88Å; D220-G223 PolarHBondContact O-N 3.48Å; D220-S224 WeakPolarHBondContact O-CB 3.47Å; D220-S224 PolarHBondContact O-N 3.49Å; D220-S224 PolarHBondContact O-OG 2.85Å
221	S	89.6	Confident	90.9	Very high	47 Å²	47	42.5 Å²	42.5	33%	0.329	23%	0.234	S	C	.	.	H	α-helix	trans	-65.5	-34.1	174	-63.6	0	0	0	0	112	S218 L225	S218-S221 WeakPolarHBondContact OG-CB 3.39Å; S218-S221 PolarHBondContact OG-N 2.81Å; S218-S221 PolarHBondContact OG-OG 2.75Å; S221-L225 WeakPolarHBondContact O-CB 3.49Å; S221-L225 PolarHBondContact O-N 3.47Å
222	I	91.4	Very high	90.7	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-68.1	-45.8	174.9	-68.6	170.3	0	0	0	110.1	I159 A161 I214 S218 L219 D220 L225 V226	I159-I222 HydrophobicContact CB-CD1 3.79Å; I159-I222 HydrophobicContact CG2-CD1 3.78Å; A161-I222 HydrophobicContact CB-CD1 4.39Å; A161-I222 HydrophobicContact CB-CG2 4.02Å; I214-I222 HydrophobicContact CB-CG2 4.21Å; I214-I222 HydrophobicContact CD1-CG2 3.9Å; I214-I222 HydrophobicContact CG2-CB 4.35Å; I214-I222 HydrophobicContact CG2-CG1 4Å; I214-I222 HydrophobicContact CG2-CG2 3.97Å; S218-I222 WeakPolarHBondContact O-CG1 3.4Å; S218-I222 PolarHBondContact O-N 2.85Å; L219-I222 WeakPolarHBondContact O-CB 3.44Å; L219-I222 PolarHBondContact O-N 2.83Å; D220-I222 VanDerWaalsContact C-N 3.29Å; D220-I222 PolarHBondContact O-N 2.88Å; I222-L225 PolarHBondContact O-N 3.05Å; I222-V226 VanDerWaalsContact O-CG2 3.31Å; I222-V226 WeakPolarHBondContact O-CG2 3.42Å; I222-V226 PolarHBondContact O-N 2.84Å
223	G	90.7	Very high	90.5	Very high	15 Å²	15	36.1 Å²	36.1	16%	0.155	21%	0.211	C	C	.	.	H	α-helix	trans	-60.2	-51	178.1	0	0	0	0	0	112.3	L219 D220 L225 V226 E227	L219-G223 PolarHBondContact O-N 2.8Å; D220-G223 PolarHBondContact O-N 3.48Å; G223-L225 PolarHBondContact O-N 3.18Å; G223-V226 PolarHBondContact O-N 2.82Å; G223-V226 VanDerWaalsContact O-N 3.08Å; G223-E227 WeakPolarHBondContact O-CG 3.4Å; G223-E227 PolarHBondContact O-N 2.83Å
224	S	89.8	Confident	90.2	Very high	71 Å²	71	35 Å²	35	50%	0.497	21%	0.206	S	C	.	.	H	α-helix	trans	-56.9	-38.6	179.2	-53	0	0	0	0	112.2	D220 E227 E228	D220-S224 WeakPolarHBondContact O-CB 3.47Å; D220-S224 PolarHBondContact O-N 3.49Å; D220-S224 PolarHBondContact O-OG 2.85Å; S224-E227 PolarHBondContact O-N 2.89Å; S224-E228 WeakPolarHBondContact O-CB 3.5Å; S224-E228 PolarHBondContact O-N 2.94Å
225	L	89.6	Confident	90.1	Very high	3 Å²	3	40.3 Å²	40.3	2%	0.016	23%	0.234	C	C	.	.	H	α-helix	trans	-68.7	-35	180	-166.7	64	0	0	0	113.2	F194 T196 T202 L204 I214 S221 I222 G223 L229	F194-L225 HydrophobicContact CD1-CD1 3.6Å; F194-L225 HydrophobicContact CD1-CG 4.14Å; F194-L225 HydrophobicContact CE1-CD1 3.32Å; F194-L225 HydrophobicContact CE1-CG 4.2Å; F194-L225 HydrophobicContact CZ-CD1 4.41Å; T196-L225 WeakPolarHBondContact OG1-CD1 3.24Å; T202-L225 HydrophobicContact CG2-CD2 3.73Å; L204-L225 HydrophobicContact CB-CD2 3.53Å; L204-L225 HydrophobicContact CB-CG 4.27Å; L204-L225 HydrophobicContact CD1-CD2 4Å; L204-L225 HydrophobicContact CD1-CG 3.95Å; L204-L225 HydrophobicContact CG-CD2 4.44Å; I214-L225 HydrophobicContact CG2-CD2 4.05Å; S221-L225 WeakPolarHBondContact O-CB 3.49Å; S221-L225 PolarHBondContact O-N 3.47Å; I222-L225 PolarHBondContact O-N 3.05Å; G223-L225 PolarHBondContact O-N 3.18Å; L225-L229 WeakPolarHBondContact O-CB 3.18Å; L225-L229 PolarHBondContact O-N 3.32Å
226	V	90.4	Very high	89.9	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-71.4	-44.6	176.9	177.9	0	0	0	0	109.8	L63 L65 I214 I222 G223 E228 L229 V230 I601	L63-V226 HydrophobicContact CD2-CG1 3.63Å; L65-V226 HydrophobicContact CD1-CG2 4.37Å; L65-V226 HydrophobicContact CD2-CG2 3.93Å; I214-V226 HydrophobicContact CD1-CG2 3.13Å; I222-V226 VanDerWaalsContact O-CG2 3.31Å; I222-V226 WeakPolarHBondContact O-CG2 3.42Å; I222-V226 PolarHBondContact O-N 2.84Å; G223-V226 PolarHBondContact O-N 2.82Å; G223-V226 VanDerWaalsContact O-N 3.08Å; V226-E228 PolarHBondContact O-N 3.04Å; V226-L229 PolarHBondContact O-N 2.87Å; V226-V230 HydrophobicContact CG1-CG2 3.67Å; V226-V230 WeakPolarHBondContact O-CB 3.39Å; V226-V230 WeakPolarHBondContact O-CG2 3.41Å; V226-V230 PolarHBondContact O-N 3.38Å; V226-I601 HydrophobicContact CB-CD1 3.95Å; V226-I601 HydrophobicContact CG1-CD1 3.54Å; V226-I601 HydrophobicContact CG1-CG1 4.36Å
227	E	89.7	Confident	89.7	Confident	122 Å²	122	42.7 Å²	42.7	57%	0.57	24%	0.244	S	C	*	.	H	α-helix	trans	-59.7	-35.8	176.3	-69.2	177.7	-177.2	0	0	112.1	G223 S224 P231 I601	G223-E227 WeakPolarHBondContact O-CG 3.4Å; G223-E227 PolarHBondContact O-N 2.83Å; S224-E227 PolarHBondContact O-N 2.89Å; E227-P231 WeakPolarHBondContact O-CD 2.99Å; E227-P231 WeakPolarHBondContact O-CG 3.19Å; E227-I601 HydrophobicContact CG-CD1 3.59Å
228	E	89.4	Confident	89.5	Confident	61 Å²	61	41.5 Å²	41.5	29%	0.285	23%	0.234	S	C	.	.	H	α-helix	trans	-72	-41.9	174.9	-174.7	178.9	-172.8	0	0	112.9	R178 S224 V226 I232	R178-E228 IonicContact CZ-OE1 3.37Å; R178-E228 IonicContact NH1-OE1 2.78Å; R178-E228 PolarHBondContact NH1-OE1 3.38Å; R178-E228 IonicContact NH2-OE1 2.69Å; S224-E228 WeakPolarHBondContact O-CB 3.5Å; S224-E228 PolarHBondContact O-N 2.94Å; V226-E228 PolarHBondContact O-N 3.04Å; E228-I232 WeakPolarHBondContact O-CD1 3.18Å; E228-I232 WeakPolarHBondContact O-CG1 3.13Å
229	L	89.4	Confident	88.8	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-76.9	-41.5	-174.9	-178.2	74.3	0	0	0	113	M182 F194 L204 L206 I212 L225 V226 I232 A233	M182-L229 HydrophobicContact CE-CD1 3.95Å; F194-L229 HydrophobicContact CD1-CD1 4.41Å; L204-L229 HydrophobicContact CD1-CB 4.48Å; L204-L229 HydrophobicContact CD1-CD2 3.54Å; L204-L229 HydrophobicContact CD2-CD2 3.37Å; L204-L229 HydrophobicContact CG-CD2 4.1Å; L206-L229 HydrophobicContact CD2-CD2 4.47Å; I212-L229 HydrophobicContact CD1-CD2 4.05Å; L225-L229 WeakPolarHBondContact O-CB 3.18Å; L225-L229 PolarHBondContact O-N 3.32Å; V226-L229 PolarHBondContact O-N 2.87Å; L229-I232 PolarHBondContact O-N 3.41Å; L229-A233 WeakPolarHBondContact O-CB 3.22Å; L229-A233 PolarHBondContact O-N 2.77Å
230	V	89.2	Confident	87.7	Confident	8 Å²	8	51.7 Å²	51.7	5%	0.048	28%	0.282	C	S	.	.	H	α-helix	trans	-54.4	-46.2	-170.5	165.9	0	0	0	0	112.7	L63 L165 V226 I232 A233 A234 Y599	L63-V230 HydrophobicContact CD2-CG2 3.5Å; L165-V230 HydrophobicContact CD2-CG2 3.95Å; V226-V230 HydrophobicContact CG1-CG2 3.67Å; V226-V230 WeakPolarHBondContact O-CB 3.39Å; V226-V230 WeakPolarHBondContact O-CG2 3.41Å; V226-V230 PolarHBondContact O-N 3.38Å; V230-I232 VanDerWaalsContact C-N 3.34Å; V230-I232 PolarHBondContact O-N 3Å; V230-A233 PolarHBondContact O-N 2.82Å; V230-A234 WeakPolarHBondContact O-CB 3.28Å; V230-A234 PolarHBondContact O-N 3.4Å; V230-Y599 HydrophobicContact CG1-CD2 3.63Å; V230-Y599 HydrophobicContact CG1-CE2 4.47Å; V230-Y599 HydrophobicContact CG1-CG 4.47Å
231	P	90.2	Very high	86.3	Confident	55 Å²	55	51 Å²	51	36%	0.357	28%	0.283	S	S	.	.	H	α-helix	trans	-62.9	-38.5	177.2	-23	34.3	0	0	0	113.1	E227 A234 L235	E227-P231 WeakPolarHBondContact O-CD 2.99Å; E227-P231 WeakPolarHBondContact O-CG 3.19Å; P231-A234 PolarHBondContact O-N 3.07Å; P231-L235 PolarHBondContact O-N 3.28Å
232	I	89.7	Confident	85	Confident	17 Å²	17	51 Å²	51	9%	0.087	28%	0.281	C	S	.	.	H	α-helix	trans	-71.9	-40	-179.2	-46.5	171	0	0	0	110	L174 E177 R178 M182 E228 L229 V230 A234 L235 H236	L174-I232 HydrophobicContact CD1-CB 4.16Å; L174-I232 HydrophobicContact CD1-CG2 3.36Å; E177-I232 HydrophobicContact CB-CG2 4.31Å; E177-I232 HydrophobicContact CG-CG2 4.24Å; R178-I232 VanDerWaalsContact NH1-CD1 3.32Å; M182-I232 HydrophobicContact CE-CD1 4.32Å; E228-I232 WeakPolarHBondContact O-CD1 3.18Å; E228-I232 WeakPolarHBondContact O-CG1 3.13Å; L229-I232 PolarHBondContact O-N 3.41Å; V230-I232 VanDerWaalsContact C-N 3.34Å; V230-I232 PolarHBondContact O-N 3Å; I232-A234 VanDerWaalsContact C-N 3.31Å; I232-A234 PolarHBondContact O-N 3.06Å; I232-L235 PolarHBondContact O-N 2.91Å; I232-H236 PolarHBondContact O-CD2 2.82Å
233	A	89.8	Confident	83.4	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-64.6	-35.9	175.4	0	0	0	0	0	111.9	L165 F167 V169 L229 V230 L235 H236 Q237	L165-A233 HydrophobicContact CD1-CB 3.94Å; F167-A233 HydrophobicContact CE2-CB 4.3Å; V169-A233 HydrophobicContact CG1-CB 4.43Å; V169-A233 HydrophobicContact CG2-CB 4.23Å; L229-A233 WeakPolarHBondContact O-CB 3.22Å; L229-A233 PolarHBondContact O-N 2.77Å; V230-A233 PolarHBondContact O-N 2.82Å; A233-L235 VanDerWaalsContact C-N 3.34Å; A233-L235 PolarHBondContact O-N 3.41Å; A233-H236 CarbonylContact O-C 3.46Å; A233-H236 PolarHBondContact O-N 3.26Å; A233-Q237 PolarHBondContact O-N 3.11Å
234	A	88.7	Confident	81.7	Confident	17 Å²	17	59 Å²	59	14%	0.14	33%	0.325	C	S	.	.	H	α-helix	trans	-65.7	-33.3	177.1	0	0	0	0	0	112.9	F167 V230 P231 I232 H236 Q237	F167-A234 HydrophobicContact CE1-CB 4.32Å; F167-A234 HydrophobicContact CZ-CB 3.83Å; V230-A234 WeakPolarHBondContact O-CB 3.28Å; V230-A234 PolarHBondContact O-N 3.4Å; P231-A234 PolarHBondContact O-N 3.07Å; I232-A234 VanDerWaalsContact C-N 3.31Å; I232-A234 PolarHBondContact O-N 3.06Å; A234-H236 PolarHBondContact O-N 3.01Å; A234-Q237 WeakPolarHBondContact O-CG 3.2Å; A234-Q237 PolarHBondContact O-N 3.01Å
235	L	90	Very high	80.1	Confident	112 Å²	112	59.1 Å²	59.1	59%	0.586	32%	0.323	S	S	*	.	H	α-helix	trans	-64	-28.8	174.4	-68.2	168	0	0	0	112.7	P231 I232 A233	P231-L235 PolarHBondContact O-N 3.28Å; I232-L235 PolarHBondContact O-N 2.91Å; A233-L235 VanDerWaalsContact C-N 3.34Å; A233-L235 PolarHBondContact O-N 3.41Å
236	H	89.4	Confident	78.3	Confident	21 Å²	21	64.6 Å²	64.6	10%	0.097	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109	29	-176.6	-67.5	-73.1	0	0	0	112.4	V169 R170 E173 L174 E177 I232 A233 A234	V169-H236 HydrophobicContact CG1-CB 4.4Å; R170-H236 PolarHBondContact N-O 3.42Å; E173-H236 WeakPolarHBondContact CB-ND1 3.34Å; E173-H236 IonicContact OE2-ND1 2.65Å; L174-H236 HydrophobicContact CB-CB 4.42Å; E177-H236 VanDerWaalsContact CG-NE2 3.26Å; E177-H236 WeakPolarHBondContact CG-NE2 3.45Å; E177-H236 IonicContact OE1-CE1 3.87Å; E177-H236 PolarHBondContact OE1-CE1 3.22Å; E177-H236 IonicContact OE1-NE2 3.61Å; E177-H236 PolarHBondContact OE1-NE2 3.47Å; I232-H236 PolarHBondContact O-CD2 2.82Å; A233-H236 CarbonylContact O-C 3.46Å; A233-H236 PolarHBondContact O-N 3.26Å; A234-H236 PolarHBondContact O-N 3.01Å
237	Q	88.1	Confident	76.3	Confident	81 Å²	81	69.3 Å²	69.3	38%	0.379	38%	0.378	S	S	.	.	B	Isolated β-bridge	trans	-66	138.7	178.9	69.7	178.7	25.9	0	0	111.8	F167 G168 R170 A233 A234	F167-Q237 HydrophobicContact CB-CB 4.24Å; F167-Q237 HydrophobicContact CD2-CB 3.77Å; F167-Q237 HydrophobicContact CE2-CB 4.34Å; F167-Q237 HydrophobicContact CG-CB 4.02Å; G168-Q237 CarbonylContact O-C 3.45Å; G168-Q237 WeakPolarHBondContact O-CA 3.42Å; R170-Q237 PolarHBondContact NH1-O 3.28Å; R170-Q237 PolarHBondContact NH2-O 3.04Å; A233-Q237 PolarHBondContact O-N 3.11Å; A234-Q237 WeakPolarHBondContact O-CG 3.2Å; A234-Q237 PolarHBondContact O-N 3.01Å
238	T	84.7	Confident	74.4	Confident	35 Å²	35	67.1 Å²	67.1	22%	0.215	37%	0.369	C	S	.	.			trans	-79.3	143.9	171.1	56.1	0	0	0	0	110.5	G168 R170 E240	G168-T238 WeakPolarHBondContact CA-OG1 3.23Å; G168-T238 PolarHBondContact O-N 3.47Å; G168-T238 PolarHBondContact O-OG1 3.41Å; R170-T238 HydrophobicContact CG-CG2 3.53Å; T238-E240 PolarHBondContact O-N 3.09Å
239	D	74.4	Confident	72.5	Confident	149 Å²	149	69.5 Å²	69.5	80%	0.797	38%	0.38	S	S	*	.	S	Bend	trans	-73.4	-4	173.7	-57.1	-45.4	0	0	0	113.2
240	E	67.9	Low	70.3	Confident	147 Å²	147	76.8 Å²	76.8	69%	0.687	41%	0.414	S	S	*	.	S	Bend	trans	-67.3	125.2	177.1	-67.7	-65.8	156.7	0	0	110.7	T238 V242	T238-E240 PolarHBondContact O-N 3.09Å; E240-V242 PolarHBondContact O-N 3.39Å
241	P	60.4	Low	68.5	Low	109 Å²	109	84.7 Å²	84.7	71%	0.708	44%	0.443	S	S	*	.	P	Polyproline II helix	trans	-64	127.2	178.2	26	-32.4	0	0	0	109.7
242	V	62	Low	66.8	Low	47 Å²	47	86.6 Å²	86.6	29%	0.285	45%	0.45	S	S	.	.	P	Polyproline II helix	trans	-64.3	126.3	170.5	177.1	0	0	0	0	107.3	P166 F167 E240 D244	P166-V242 VanDerWaalsContact O-CG2 3.24Å; P166-V242 WeakPolarHBondContact O-CG2 3.32Å; F167-V242 VanDerWaalsContact CA-CG2 3.5Å; E240-V242 PolarHBondContact O-N 3.39Å; V242-D244 PolarHBondContact O-N 3.17Å; V242-D244 VanDerWaalsContact O-N 3.15Å
243	P	58.1	Low	65	Low	83 Å²	83	91 Å²	91	54%	0.539	47%	0.471	S	S	.	.	P	Polyproline II helix	trans	-60.6	125.4	176.9	23.6	-31.9	0	0	0	108.8	I248	P243-I248 HydrophobicContact CB-CD1 3.8Å; P243-I248 HydrophobicContact CG-CD1 3.78Å
244	D	54.8	Low	63.4	Low	101 Å²	101	93.8 Å²	93.8	54%	0.54	49%	0.493	S	S	.	.	P	Polyproline II helix	trans	-59.8	137.6	-175.1	-160.9	-1.1	0	0	0	110	V242 N246 D247	V242-D244 PolarHBondContact O-N 3.17Å; V242-D244 VanDerWaalsContact O-N 3.15Å; D244-N246 PolarHBondContact O-N 3.16Å; D244-N246 VanDerWaalsContact O-N 3.09Å; D244-D247 PolarHBondContact O-N 2.96Å
245	V	57	Low	62.2	Low	73 Å²	73	98.6 Å²	98.6	44%	0.442	51%	0.513	S	S	.	.	H	α-helix	trans	-65.7	-20.1	-166.1	-172.2	0	0	0	0	111.7	K164 Q249	K164-V245 VanDerWaalsContact NZ-CG2 3.35Å; V245-Q249 PolarHBondContact O-N 3.02Å
246	N	50.5	Low	60.9	Low	119 Å²	119	98 Å²	98	64%	0.636	51%	0.513	S	S	*	.	H	α-helix	trans	-73	-30.7	179.8	-62	-35.9	0	0	0	113	D244	D244-N246 PolarHBondContact O-N 3.16Å; D244-N246 VanDerWaalsContact O-N 3.09Å
247	D	47.9	Very low	59.7	Low	99 Å²	99	101.6 Å²	101.6	53%	0.529	54%	0.537	S	S	.	.	H	α-helix	trans	-82.5	-18.7	-176.1	-77.6	-34.1	0	0	0	114.2	D244 R251	D244-D247 PolarHBondContact O-N 2.96Å; D247-R251 WeakPolarHBondContact O-CB 3.47Å
248	I	51.8	Low	58.5	Low	75 Å²	75	100.8 Å²	100.8	39%	0.385	53%	0.534	S	S	.	.	H	α-helix	trans	-97.7	-36.7	-176.6	-59.3	177.2	0	0	0	111.2	P243 E250 R251 D252	P243-I248 HydrophobicContact CB-CD1 3.8Å; P243-I248 HydrophobicContact CG-CD1 3.78Å; I248-E250 PolarHBondContact O-N 3.44Å; I248-R251 PolarHBondContact O-N 2.98Å; I248-D252 WeakPolarHBondContact O-CB 3.32Å; I248-D252 PolarHBondContact O-N 3.11Å
249	Q	47.5	Very low	57.4	Low	112 Å²	112	105.1 Å²	105.1	52%	0.523	55%	0.55	S	S	.	*	H	α-helix	trans	-64.1	-43.5	179.9	-162.6	88.2	20.3	0	0	110.9	V245 E253	V245-Q249 PolarHBondContact O-N 3.02Å; Q249-E253 PolarHBondContact NE2-OE1 3.41Å; Q249-E253 VanDerWaalsContact O-CB 3.29Å; Q249-E253 WeakPolarHBondContact O-CB 3.06Å; Q249-E253 WeakPolarHBondContact O-CG 3.2Å; Q249-E253 PolarHBondContact O-N 2.97Å
250	E	45.2	Very low	56.4	Low	152 Å²	152	100.4 Å²	100.4	71%	0.71	53%	0.532	S	S	*	.	H	α-helix	trans	-72	-37.3	-180	-148	179	-159.4	0	0	111.9	I248 A254	I248-E250 PolarHBondContact O-N 3.44Å; E250-A254 WeakPolarHBondContact O-CB 3.45Å; E250-A254 PolarHBondContact O-N 2.98Å
251	R	51	Low	55.9	Low	174 Å²	174	94.4 Å²	94.4	66%	0.657	51%	0.508	S	S	*	.	H	α-helix	trans	-69.3	-42.4	175.9	-89.9	-172.6	165.2	105.1	-2.5	112.9	D247 I248 H255	D247-R251 WeakPolarHBondContact O-CB 3.47Å; I248-R251 PolarHBondContact O-N 2.98Å; R251-H255 VanDerWaalsContact O-CB 3.23Å; R251-H255 WeakPolarHBondContact O-CB 3.46Å; R251-H255 PolarHBondContact O-N 3.46Å
252	D	53.9	Low	55.7	Low	95 Å²	95	96.6 Å²	96.6	51%	0.508	50%	0.502	S	S	.	.	H	α-helix	trans	-75	-38.7	-179	-81.9	-20.1	0	0	0	111.6	I248 H255 V256	I248-D252 WeakPolarHBondContact O-CB 3.32Å; I248-D252 PolarHBondContact O-N 3.11Å; D252-H255 PolarHBondContact O-N 2.85Å; D252-V256 VanDerWaalsContact O-CB 3.24Å; D252-V256 WeakPolarHBondContact O-CB 3.25Å; D252-V256 WeakPolarHBondContact O-CG2 3.28Å; D252-V256 PolarHBondContact O-N 3.39Å
253	E	52	Low	55.3	Low	111 Å²	111	102.9 Å²	102.9	52%	0.519	52%	0.522	S	S	.	.	H	α-helix	trans	-67.5	-45.3	174.1	-72.8	-179.3	-169.5	0	0	111.1	Q249 H255 V256 V257	Q249-E253 PolarHBondContact NE2-OE1 3.41Å; Q249-E253 VanDerWaalsContact O-CB 3.29Å; Q249-E253 WeakPolarHBondContact O-CB 3.06Å; Q249-E253 WeakPolarHBondContact O-CG 3.2Å; Q249-E253 PolarHBondContact O-N 2.97Å; E253-H255 VanDerWaalsContact C-N 3.34Å; E253-H255 PolarHBondContact O-N 2.8Å; E253-V256 PolarHBondContact O-N 2.86Å; E253-V257 VanDerWaalsContact O-CB 3.26Å; E253-V257 WeakPolarHBondContact O-CB 3.25Å; E253-V257 WeakPolarHBondContact O-CG2 3.28Å; E253-V257 PolarHBondContact O-N 3.18Å
254	A	56.9	Low	54.6	Low	58 Å²	58	105.7 Å²	105.7	48%	0.479	53%	0.529	S	S	.	.	H	α-helix	trans	-61	-41.6	173.1	0	0	0	0	0	111.4	E250 L258	E250-A254 WeakPolarHBondContact O-CB 3.45Å; E250-A254 PolarHBondContact O-N 2.98Å; A254-L258 WeakPolarHBondContact O-CA 3.49Å; A254-L258 WeakPolarHBondContact O-CB 3.47Å; A254-L258 PolarHBondContact O-N 3Å
255	H	63.4	Low	54.5	Low	118 Å²	118	108.3 Å²	108.3	55%	0.546	54%	0.544	S	S	.	.	H	α-helix	trans	-68.7	-37.5	177.1	-106.8	-41.8	0	0	0	113.3	R251 D252 E253 K259	R251-H255 VanDerWaalsContact O-CB 3.23Å; R251-H255 WeakPolarHBondContact O-CB 3.46Å; R251-H255 PolarHBondContact O-N 3.46Å; D252-H255 PolarHBondContact O-N 2.85Å; E253-H255 VanDerWaalsContact C-N 3.34Å; E253-H255 PolarHBondContact O-N 2.8Å; H255-K259 WeakPolarHBondContact O-CA 3.46Å; H255-K259 WeakPolarHBondContact O-CB 3.48Å; H255-K259 PolarHBondContact O-N 3.45Å
256	V	63.1	Low	53.9	Low	98 Å²	98	112 Å²	112	59%	0.594	56%	0.558	S	S	*	*	H	α-helix	trans	-70.9	-42.1	178	170.5	0	0	0	0	110.6	D252 E253 K259 A260	D252-V256 VanDerWaalsContact O-CB 3.24Å; D252-V256 WeakPolarHBondContact O-CB 3.25Å; D252-V256 WeakPolarHBondContact O-CG2 3.28Å; D252-V256 PolarHBondContact O-N 3.39Å; E253-V256 PolarHBondContact O-N 2.86Å; V256-K259 PolarHBondContact O-N 3.22Å; V256-A260 WeakPolarHBondContact O-CB 3.36Å; V256-A260 PolarHBondContact O-N 2.94Å
257	V	63.2	Low	53.6	Low	98 Å²	98	110.6 Å²	110.6	59%	0.594	55%	0.55	S	S	*	.	H	α-helix	trans	-67	-45.1	174.7	173.6	0	0	0	0	110.6	E253 K259 A260 A261	E253-V257 VanDerWaalsContact O-CB 3.26Å; E253-V257 WeakPolarHBondContact O-CB 3.25Å; E253-V257 WeakPolarHBondContact O-CG2 3.28Å; E253-V257 PolarHBondContact O-N 3.18Å; V257-K259 VanDerWaalsContact C-N 3.35Å; V257-K259 PolarHBondContact O-N 3.25Å; V257-A260 CarbonylContact O-C 3.55Å; V257-A260 PolarHBondContact O-N 3.16Å; V257-A261 WeakPolarHBondContact O-CB 3.48Å; V257-A261 PolarHBondContact O-N 3.41Å
258	L	62.3	Low	53.3	Low	63 Å²	63	111.2 Å²	111.2	33%	0.33	56%	0.559	S	S	.	*	H	α-helix	trans	-65.5	-37.8	176.5	-164.8	87.4	0	0	0	111.5	A254 R262	A254-L258 WeakPolarHBondContact O-CA 3.49Å; A254-L258 WeakPolarHBondContact O-CB 3.47Å; A254-L258 PolarHBondContact O-N 3Å; L258-R262 VanDerWaalsContact O-CB 3.28Å; L258-R262 WeakPolarHBondContact O-CB 3.43Å; L258-R262 VanDerWaalsContact O-CG 3.22Å; L258-R262 WeakPolarHBondContact O-CG 3.41Å; L258-R262 PolarHBondContact O-N 3.4Å
259	K	62.7	Low	52.7	Low	126 Å²	126	115.1 Å²	115.1	55%	0.548	58%	0.581	S	S	.	*	H	α-helix	trans	-67.7	-44	174.2	-172.3	170.7	-173.1	174.5	0	110.3	H255 V256 V257 R262 Y263	H255-K259 WeakPolarHBondContact O-CA 3.46Å; H255-K259 WeakPolarHBondContact O-CB 3.48Å; H255-K259 PolarHBondContact O-N 3.45Å; V256-K259 PolarHBondContact O-N 3.22Å; V257-K259 VanDerWaalsContact C-N 3.35Å; V257-K259 PolarHBondContact O-N 3.25Å; K259-R262 PolarHBondContact O-N 3.49Å; K259-Y263 HydrophobicContact CD-CE2 4.42Å; K259-Y263 HydrophobicContact CG-CD2 3.93Å; K259-Y263 HydrophobicContact CG-CE2 3.68Å; K259-Y263 WeakPolarHBondContact O-CD2 3.37Å; K259-Y263 PolarHBondContact O-N 3.11Å
260	A	53.6	Low	52.3	Low	50 Å²	50	117.2 Å²	117.2	41%	0.413	60%	0.595	S	S	.	*	H	α-helix	trans	-62.6	-41	174.3	0	0	0	0	0	112.2	V256 V257 Y263 M264	V256-A260 WeakPolarHBondContact O-CB 3.36Å; V256-A260 PolarHBondContact O-N 2.94Å; V257-A260 CarbonylContact O-C 3.55Å; V257-A260 PolarHBondContact O-N 3.16Å; A260-Y263 CarbonylContact O-C 3.55Å; A260-Y263 WeakPolarHBondContact O-CB 3.47Å; A260-Y263 PolarHBondContact O-N 3.33Å; A260-M264 WeakPolarHBondContact O-CG 3.35Å; A260-M264 PolarHBondContact O-N 3.04Å
261	A	57.5	Low	51.8	Low	22 Å²	22	113.5 Å²	113.5	18%	0.182	60%	0.598	C	S	.	*	H	α-helix	trans	-72.4	-33.3	178.9	0	0	0	0	0	112.4	V257 M264 N265 M266 L267	V257-A261 WeakPolarHBondContact O-CB 3.48Å; V257-A261 PolarHBondContact O-N 3.41Å; A261-M264 PolarHBondContact O-N 2.96Å; A261-N265 PolarHBondContact O-N 2.99Å; A261-M266 PolarHBondContact O-N 3Å; A261-L267 HydrophobicContact CB-CD1 3.28Å
262	R	54.6	Low	51	Low	154 Å²	154	109 Å²	109	58%	0.581	61%	0.606	S	S	*	*	H	α-helix	trans	-65.4	-38.2	166.7	-78.4	176.2	-174.9	167.4	2.1	112.3	L258 K259 M264 N265	L258-R262 VanDerWaalsContact O-CB 3.28Å; L258-R262 WeakPolarHBondContact O-CB 3.43Å; L258-R262 VanDerWaalsContact O-CG 3.22Å; L258-R262 WeakPolarHBondContact O-CG 3.41Å; L258-R262 PolarHBondContact O-N 3.4Å; K259-R262 PolarHBondContact O-N 3.49Å; R262-M264 PolarHBondContact O-N 3.27Å; R262-N265 PolarHBondContact O-N 3.21Å
263	Y	54.2	Low	49.8	Very low	180 Å²	180	114.1 Å²	114.1	71%	0.706	62%	0.624	S	S	*	*	H	α-helix	trans	-68.5	-21.7	173.2	-85.6	-69.2	0	0	0	113	K259 A260	K259-Y263 HydrophobicContact CD-CE2 4.42Å; K259-Y263 HydrophobicContact CG-CD2 3.93Å; K259-Y263 HydrophobicContact CG-CE2 3.68Å; K259-Y263 WeakPolarHBondContact O-CD2 3.37Å; K259-Y263 PolarHBondContact O-N 3.11Å; A260-Y263 CarbonylContact O-C 3.55Å; A260-Y263 WeakPolarHBondContact O-CB 3.47Å; A260-Y263 PolarHBondContact O-N 3.33Å
264	M	43.1	Very low	48.9	Very low	141 Å²	141	116.2 Å²	116.2	70%	0.695	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.7	7.1	179.7	-69.5	-89.9	-94.9	0	0	113.7	A260 A261 R262 M266	A260-M264 WeakPolarHBondContact O-CG 3.35Å; A260-M264 PolarHBondContact O-N 3.04Å; A261-M264 PolarHBondContact O-N 2.96Å; R262-M264 PolarHBondContact O-N 3.27Å; M264-M266 HydrophobicContact CB-CG 4.02Å; M264-M266 WeakPolarHBondContact O-CG 3.24Å; M264-M266 PolarHBondContact O-N 3.34Å; M264-M266 VanDerWaalsContact O-N 3.09Å
265	N	53.2	Low	47.7	Very low	157 Å²	157	116.8 Å²	116.8	84%	0.84	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	54.2	23.1	-176.1	-84.1	-11.6	0	0	0	114.4	A261 R262	A261-N265 PolarHBondContact O-N 2.99Å; R262-N265 PolarHBondContact O-N 3.21Å
266	M	44.7	Very low	46.2	Very low	151 Å²	151	118 Å²	118	74%	0.744	66%	0.66	S	S	*	*			trans	-93	-2.6	-173.7	-70.9	-62.1	-129.7	0	0	114.4	A261 M264	A261-M266 PolarHBondContact O-N 3Å; M264-M266 HydrophobicContact CB-CG 4.02Å; M264-M266 WeakPolarHBondContact O-CG 3.24Å; M264-M266 PolarHBondContact O-N 3.34Å; M264-M266 VanDerWaalsContact O-N 3.09Å
267	L	42.8	Very low	44.7	Very low	89 Å²	89	119.4 Å²	119.4	47%	0.466	67%	0.669	S	S	.	*	S	Bend	trans	-125.6	125.5	178.2	-77.9	123.2	0	0	0	112	A261	A261-L267 HydrophobicContact CB-CD1 3.28Å
268	P	42.1	Very low	43.4	Very low	111 Å²	111	123.8 Å²	123.8	72%	0.721	68%	0.676	S	S	*	*			trans	-67.7	145.4	168.1	27.7	-29.7	0	0	0	110.4	N270	P268-N270 PolarHBondContact O-N 3.4Å
269	N	40.3	Very low	41.9	Very low	157 Å²	157	127.2 Å²	127.2	84%	0.84	70%	0.695	S	S	*	*	S	Bend	trans	-71.6	60.7	178.2	-76.1	-22.3	0	0	0	111.9
270	N	38.8	Very low	40.8	Very low	156 Å²	156	128.3 Å²	128.3	83%	0.834	71%	0.705	S	S	*	*	S	Bend	trans	-178.2	131.3	158.4	-120.7	-11.9	0	0	0	111.5	P268	P268-N270 PolarHBondContact O-N 3.4Å
271	G	35.3	Very low	39.9	Very low	75 Å²	75	132.7 Å²	132.7	77%	0.773	72%	0.721	S	S	*	*			trans	103.4	116.6	152.5	0	0	0	0	0	117.5
272	G	34.1	Very low	38.8	Very low	79 Å²	79	138.7 Å²	138.7	81%	0.814	75%	0.75	S	S	*	*				79	95.7	126.3	0	0	0	0	0	118	N274	G272-N274 PolarHBondContact O-N 2.98Å
273	F	29	Very low	37.8	Very low	203 Å²	203	139.2 Å²	139.2	89%	0.89	76%	0.759	S	S	*	*			trans	-59.8	107.4	159.2	-176.2	-94.4	0	0	0	109.3
274	N	31.8	Very low	37	Very low	154 Å²	154	141.8 Å²	141.8	82%	0.824	77%	0.769	S	S	*	*			trans	-171.4	112.8	154.9	-94	-22.6	0	0	0	110	G272	G272-N274 PolarHBondContact O-N 2.98Å
275	G	32.1	Very low	36.6	Very low	70 Å²	70	143.1 Å²	143.1	72%	0.722	77%	0.774	S	S	*	*			trans	95.7	73.6	156.9	0	0	0	0	0	116.3
276	L	31.6	Very low	35.6	Very low	143 Å²	143	142.7 Å²	142.7	75%	0.749	77%	0.772	S	S	*	*			trans	-147.1	83.9	148.5	-74.4	-175.7	0	0	0	109	Y278	L276-Y278 HydrophobicContact CB-CD2 4.49Å; L276-Y278 HydrophobicContact CB-CE2 4.27Å; L276-Y278 HydrophobicContact CD1-CE2 4.32Å
277	V	31.7	Very low	35	Very low	128 Å²	128	140.3 Å²	140.3	78%	0.776	77%	0.77	S	S	*	*			trans	-66.6	123.4	157	171.8	0	0	0	0	106.3
278	Y	35.5	Very low	34.8	Very low	191 Å²	191	144.4 Å²	144.4	75%	0.749	79%	0.792	S	S	*	*			trans	-101.8	105.6	166.7	-88.3	-89.1	0	0	0	107.3	L276 I280	L276-Y278 HydrophobicContact CB-CD2 4.49Å; L276-Y278 HydrophobicContact CB-CE2 4.27Å; L276-Y278 HydrophobicContact CD1-CE2 4.32Å; Y278-I280 PolarHBondContact O-N 3.32Å
279	D	32.3	Very low	34.5	Very low	135 Å²	135	147.9 Å²	147.9	72%	0.722	80%	0.799	S	S	*	*			trans	-61.8	121.9	156.1	-74.3	-48.8	0	0	0	107.5	D281	D279-D281 PolarHBondContact O-N 3.26Å
280	I	38	Very low	34.1	Very low	149 Å²	149	145.5 Å²	145.5	76%	0.764	79%	0.794	S	S	*	*			trans	-88.9	97.8	169.6	-63.9	173.2	0	0	0	105.2	Y278 D282	Y278-I280 PolarHBondContact O-N 3.32Å; I280-D282 PolarHBondContact O-N 3.29Å
281	D	35.4	Very low	33.9	Very low	141 Å²	141	146 Å²	146	75%	0.754	80%	0.797	S	S	*	*			trans	-66.7	113.1	167.5	-69.4	-44.5	0	0	0	108.9	D279 E283	D279-D281 PolarHBondContact O-N 3.26Å; D281-E283 VanDerWaalsContact C-N 3.31Å; D281-E283 PolarHBondContact O-N 3.13Å
282	D	34.6	Very low	33.9	Very low	149 Å²	149	150.6 Å²	150.6	80%	0.797	80%	0.796	S	S	*	*			trans	-66	82.4	166.6	-79.3	-48.4	0	0	0	110.1	I280	I280-D282 PolarHBondContact O-N 3.29Å
283	E	34.3	Very low	34.4	Very low	164 Å²	164	157.1 Å²	157.1	77%	0.766	80%	0.798	S	S	*	*			trans	-138.2	77.2	168.8	-81.6	-165.7	168	0	0	111.4	D281	D281-E283 VanDerWaalsContact C-N 3.31Å; D281-E283 PolarHBondContact O-N 3.13Å
284	Y	35.6	Very low	34.8	Very low	234 Å²	234	154.9 Å²	154.9	92%	0.918	79%	0.79	S	S	*	*			trans	-152.7	61.9	151.2	-87.7	-75.5	0	0	0	109.4
285	Q	35.2	Very low	35	Very low	169 Å²	169	154.5 Å²	154.5	79%	0.79	79%	0.788	S	S	*	*			trans	-92.6	143.6	153	-102.6	141.5	-40.6	0	0	108.3
286	N	31.7	Very low	35.5	Very low	148 Å²	148	157 Å²	157	79%	0.791	79%	0.789	S	S	*	*			trans	76.5	92.8	171.6	-60.9	-19.2	0	0	0	117.9
287	S	33.8	Very low	35.6	Very low	102 Å²	102	153.7 Å²	153.7	71%	0.713	79%	0.79	S	S	*	*	S	Bend	trans	-176.6	78.6	141.5	33.2	0	0	0	0	108.8
288	D	37	Very low	35.7	Very low	174 Å²	174	150.6 Å²	150.6	93%	0.93	78%	0.784	S	S	*	*	S	Bend	trans	-179.3	52.9	154	-88.4	-16.4	0	0	0	107.3
289	E	35.6	Very low	35.9	Very low	185 Å²	185	148.6 Å²	148.6	86%	0.864	79%	0.791	S	S	*	*			trans	-146.9	81.6	173.3	-153.1	173.8	-141.4	0	0	108.7
290	S	32.6	Very low	36	Very low	106 Å²	106	145.9 Å²	145.9	74%	0.741	80%	0.795	S	S	*	*			trans	-160.5	70.8	168.9	65.8	0	0	0	0	110
291	D	35.5	Very low	35.7	Very low	167 Å²	167	142.4 Å²	142.4	89%	0.893	80%	0.796	S	S	*	*			trans	-109.7	85.7	151.4	-77	-22.2	0	0	0	105.7
292	F	34.5	Very low	35.8	Very low	171 Å²	171	140.1 Å²	140.1	75%	0.75	80%	0.797	S	S	*	*			trans	-70.7	118.8	177.2	-171.9	-108.4	0	0	0	109	E294	F292-E294 HydrophobicContact CD1-CG 3.77Å; F292-E294 HydrophobicContact CE1-CG 3.42Å; F292-E294 VanDerWaalsContact CE1-CG 3.42Å
293	Y	43.7	Very low	35.8	Very low	216 Å²	216	143.7 Å²	143.7	85%	0.847	80%	0.799	S	S	*	*			trans	-81.3	112.3	166.2	-98.8	-97.6	0	0	0	108	D295	Y293-D295 PolarHBondContact O-N 3.08Å
294	E	38.8	Very low	35.9	Very low	156 Å²	156	143.7 Å²	143.7	73%	0.729	80%	0.799	S	S	*	*			trans	-84.3	103.4	156.1	-78	-157	169.8	0	0	108.5	F292	F292-E294 HydrophobicContact CD1-CG 3.77Å; F292-E294 HydrophobicContact CE1-CG 3.42Å; F292-E294 VanDerWaalsContact CE1-CG 3.42Å
295	D	35.8	Very low	36	Very low	146 Å²	146	136 Å²	136	78%	0.781	78%	0.78	S	S	*	*			trans	-95	109.1	162.2	-176.9	23.7	0	0	0	107.6	Y293	Y293-D295 PolarHBondContact O-N 3.08Å
296	V	42.6	Very low	36.3	Very low	123 Å²	123	137.4 Å²	137.4	75%	0.745	78%	0.783	S	S	*	*			trans	-124.5	75.6	169.3	-166.5	0	0	0	0	108	G298	V296-G298 PolarHBondContact O-N 2.86Å
297	G	33.5	Very low	36.7	Very low	74 Å²	74	134.4 Å²	134.4	76%	0.763	77%	0.774	S	S	*	*			trans	-77.6	93.4	163.7	0	0	0	0	0	111
298	G	34.3	Very low	37.1	Very low	63 Å²	63	135.1 Å²	135.1	65%	0.649	77%	0.774	S	S	*	*			trans	-130.5	86.7	178	0	0	0	0	0	113	V296	V296-G298 PolarHBondContact O-N 2.86Å
299	V	38.9	Very low	37.3	Very low	148 Å²	148	133.5 Å²	133.5	90%	0.897	77%	0.766	S	S	*	*			trans	31.5	110.9	144.3	-171.2	0	0	0	0	118.7
300	G	34.2	Very low	37.6	Very low	79 Å²	79	131.6 Å²	131.6	81%	0.814	76%	0.761	S	S	*	*				82.7	123.8	126.1	0	0	0	0	0	119.2
301	G	33.3	Very low	38.4	Very low	76 Å²	76	131.1 Å²	131.1	78%	0.784	76%	0.758	S	S	*	*			trans	111.3	82.1	145.8	0	0	0	0	0	116.9
302	A	35.9	Very low	38.9	Very low	93 Å²	93	129.4 Å²	129.4	77%	0.769	75%	0.753	S	S	*	*				49.5	126.2	127.2	0	0	0	0	0	120.8
303	R	36	Very low	39.2	Very low	223 Å²	223	128.2 Å²	128.2	84%	0.842	76%	0.755	S	S	*	*			trans	107.4	110.1	140.8	-65.2	-170.6	167.4	-176	-2.9	119
304	H	35.6	Very low	39.3	Very low	164 Å²	164	123.3 Å²	123.3	76%	0.759	75%	0.752	S	S	*	*				73.1	105	126.2	-73.1	-68	0	0	0	120.7
305	S	37.3	Very low	39.2	Very low	74 Å²	74	119.4 Å²	119.4	52%	0.517	75%	0.754	S	S	.	*				96.9	136.2	103.1	-133	0	0	0	0	121
306	F	41.5	Very low	39.6	Very low	197 Å²	197	117 Å²	117	86%	0.864	76%	0.755	S	S	*	*			trans	73.1	144	156.3	-57.8	-60.5	0	0	0	116.7
307	S	40.9	Very low	39.5	Very low	85 Å²	85	116.4 Å²	116.4	59%	0.594	76%	0.756	S	S	*	*			cis	175.3	146.8	0.6	172	0	0	0	0	107.7
308	T	41	Very low	40.3	Very low	118 Å²	118	120.3 Å²	120.3	72%	0.724	76%	0.758	S	S	*	*			trans	53.5	150.6	145.3	51.6	0	0	0	0	120.1
309	D	41.5	Very low	40.4	Very low	140 Å²	140	125.2 Å²	125.2	75%	0.749	77%	0.769	S	S	*	*			cis	-168.8	130.2	9.5	-115.9	-27.7	0	0	0	103.5
310	D	42.9	Very low	40.9	Very low	144 Å²	144	123.3 Å²	123.3	77%	0.77	76%	0.762	S	S	*	*				43.7	124.5	96.5	-145	4.5	0	0	0	117.2
311	S	49.8	Very low	41	Very low	97 Å²	97	123.7 Å²	123.7	68%	0.678	77%	0.766	S	S	*	*			trans	158.9	129.3	139	-76.3	0	0	0	0	115.8
312	T	45.8	Very low	41	Very low	130 Å²	130	123.6 Å²	123.6	80%	0.798	77%	0.765	S	S	*	*			trans	81.4	109.7	145	64.3	0	0	0	0	118
313	D	40.4	Very low	41	Very low	147 Å²	147	126.4 Å²	126.4	79%	0.786	77%	0.772	S	S	*	*				69.3	112.3	57.2	-167.6	26.1	0	0	0	114.1
314	S	45.6	Very low	41.2	Very low	112 Å²	112	120.1 Å²	120.1	78%	0.783	76%	0.763	S	S	*	*				168.7	122.1	129.2	-73.9	0	0	0	0	110.2
315	G	37.1	Very low	41.1	Very low	75 Å²	75	118.1 Å²	118.1	77%	0.773	76%	0.762	S	S	*	*			trans	-86.8	-145.9	179.5	0	0	0	0	0	115.7
316	A	43.3	Very low	41.1	Very low	96 Å²	96	124.3 Å²	124.3	79%	0.793	78%	0.78	S	S	*	*			trans	95	96.7	168	0	0	0	0	0	118.4
317	S	41.8	Very low	40.8	Very low	110 Å²	110	120.9 Å²	120.9	77%	0.769	78%	0.775	S	S	*	*				40.8	124.5	121.1	64.6	0	0	0	0	121
318	I	49.6	Very low	40.5	Very low	156 Å²	156	126.7 Å²	126.7	80%	0.8	79%	0.789	S	S	*	*				-171.7	119.8	120.6	173.9	154.1	0	0	0	111
319	D	36.5	Very low	40.2	Very low	166 Å²	166	132.5 Å²	132.5	89%	0.888	80%	0.798	S	S	*	*			trans	-73.6	133.9	163.1	-90.8	-36.6	0	0	0	110.3
320	S	48.8	Very low	39.7	Very low	107 Å²	107	136 Å²	136	75%	0.748	80%	0.801	S	S	*	*			trans	-158.1	121.3	158.4	-70.2	0	0	0	0	109.2
321	G	35.7	Very low	39.5	Very low	87 Å²	87	137.2 Å²	137.2	90%	0.897	81%	0.805	S	S	*	*			trans	-58.6	153.5	-177.4	0	0	0	0	0	114.3
322	G	34.6	Very low	38.6	Very low	75 Å²	75	140.5 Å²	140.5	77%	0.773	81%	0.808	S	S	*	*			trans	-169.7	84	-180	0	0	0	0	0	111.5
323	V	35.6	Very low	38.1	Very low	151 Å²	151	144.6 Å²	144.6	92%	0.915	81%	0.814	S	S	*	*			trans	-46.6	130.5	166.8	-161.9	0	0	0	0	110.2
324	S	39.8	Very low	37.5	Very low	91 Å²	91	146.2 Å²	146.2	64%	0.636	81%	0.814	S	S	*	*			trans	167.3	114.5	133.5	-169.8	0	0	0	0	113.3
325	T	34.1	Very low	37.1	Very low	122 Å²	122	146.7 Å²	146.7	75%	0.748	82%	0.818	S	S	*	*			trans	45.3	122.1	135.9	72.7	0	0	0	0	120.6
326	K	36.7	Very low	36.8	Very low	204 Å²	204	150.6 Å²	150.6	89%	0.887	82%	0.815	S	S	*	*			trans	-157	104.3	136.8	-109.5	163.6	-169.7	177.3	0	114.1
327	V	34.3	Very low	36.4	Very low	125 Å²	125	154.1 Å²	154.1	76%	0.758	82%	0.82	S	S	*	*			trans	54.1	107.1	131.9	-170.9	0	0	0	0	119.5
328	K	34.7	Very low	35.8	Very low	208 Å²	208	153.4 Å²	153.4	90%	0.904	82%	0.815	S	S	*	*			trans	-101.8	113.5	159.5	-155.9	169.4	-173	172.8	0	108.7
329	R	35.6	Very low	34.8	Very low	239 Å²	239	152 Å²	152	90%	0.902	81%	0.814	S	S	*	*			trans	-69.8	127.5	173.2	-80.4	-178.8	-179.5	139.2	-1	109.8
330	R	30.2	Very low	34.5	Very low	213 Å²	213	150.5 Å²	150.5	80%	0.804	81%	0.81	S	S	*	*			trans	-122.3	118.9	171.5	-175	179.6	-172.9	173.2	4.2	107.5
331	I	40	Very low	33.7	Very low	170 Å²	170	154.1 Å²	154.1	87%	0.872	82%	0.818	S	S	*	*			trans	-95.8	123.5	167.5	-64.8	175.3	0	0	0	107.4
332	K	29.8	Very low	33.4	Very low	167 Å²	167	153.6 Å²	153.6	73%	0.726	81%	0.812	S	S	*	*			trans	-100.8	140.7	172.3	-104.2	177.9	172.5	177	0	107.8
333	K	35.3	Very low	33.2	Very low	215 Å²	215	157.4 Å²	157.4	94%	0.935	82%	0.815	S	S	*	*			trans	-123.1	132.6	151.6	-125.7	176	-178.3	176.8	0	109.5
334	K	28.8	Very low	33	Very low	181 Å²	181	156.7 Å²	156.7	79%	0.787	81%	0.811	S	S	*	*			trans	-80.9	152.7	-173.8	-84.1	170.6	164.3	176.8	0	111.2
335	S	37.6	Very low	32.4	Very low	122 Å²	122	162.9 Å²	162.9	85%	0.853	83%	0.827	S	S	*	*			trans	-150.7	124.4	133.5	52.9	0	0	0	0	110.3
336	H	30.9	Very low	32.3	Very low	157 Å²	157	162.3 Å²	162.3	73%	0.727	83%	0.828	S	S	*	*			trans	-78.7	144.9	166	-88.7	-111.4	0	0	0	109.1
337	L	33.7	Very low	32.2	Very low	171 Å²	171	158 Å²	158	90%	0.895	82%	0.824	S	S	*	*				171	153.9	117.8	-92.9	148.1	0	0	0	111.5
338	S	30.6	Very low	32.1	Very low	95 Å²	95	156.7 Å²	156.7	66%	0.664	83%	0.826	S	S	*	*			trans	-90.8	151.2	-155.3	46.2	0	0	0	0	115.8
339	T	27.3	Very low	32	Very low	125 Å²	125	151.5 Å²	151.5	77%	0.767	82%	0.816	S	S	*	*			trans	23.8	125.9	136.1	-47.9	0	0	0	0	119.1
340	V	30.6	Very low	31.8	Very low	135 Å²	135	149.1 Å²	149.1	82%	0.818	82%	0.815	S	S	*	*				-166.9	129.7	119.5	168	0	0	0	0	110.8
341	M	31.8	Very low	32	Very low	184 Å²	184	147.1 Å²	147.1	91%	0.906	82%	0.819	S	S	*	*			trans	0.1	150.1	158.5	-61.4	-129.3	-76.5	0	0	123.3
342	G	30.5	Very low	31.4	Very low	76 Å²	76	150 Å²	150	78%	0.784	82%	0.819	S	S	*	*			trans	156.5	98.9	142.3	0	0	0	0	0	116.2
343	N	29	Very low	31.3	Very low	154 Å²	154	148.9 Å²	148.9	82%	0.824	82%	0.821	S	S	*	*			trans	-57	149.8	173.4	-73.6	-9.2	0	0	0	114
344	T	31.1	Very low	31.1	Very low	137 Å²	137	149.9 Å²	149.9	84%	0.84	82%	0.821	S	S	*	*				177.5	120.4	115	30.2	0	0	0	0	111
345	F	27.9	Very low	31	Very low	220 Å²	220	147.8 Å²	147.8	97%	0.965	82%	0.818	S	S	*	*			trans	-122.4	133.3	161.2	-91.4	-81	0	0	0	107.4
346	S	32	Very low	30.5	Very low	111 Å²	111	147.8 Å²	147.8	78%	0.776	82%	0.818	S	S	*	*			trans	-158.7	152	157.6	50.1	0	0	0	0	111.4
347	S	35.9	Very low	30.4	Very low	114 Å²	114	144.7 Å²	144.7	80%	0.797	81%	0.814	S	S	*	*			trans	97.8	88.6	-176.6	-46.3	0	0	0	0	112.6
348	A	32.2	Very low	30.2	Very low	96 Å²	96	148.2 Å²	148.2	79%	0.793	82%	0.815	S	S	*	*				55.8	137	65.4	0	0	0	0	0	111
349	S	30.8	Very low	30.3	Very low	100 Å²	100	149.4 Å²	149.4	70%	0.699	82%	0.824	S	S	*	*			cis	171.7	136.2	2.6	43.1	0	0	0	0	103.5
350	Q	32.4	Very low	30.4	Very low	189 Å²	189	147.2 Å²	147.2	88%	0.883	83%	0.826	S	S	*	*			trans	-176.3	146.4	147.8	-104.8	168.7	49	0	0	110.7
351	L	34.6	Very low	30.5	Very low	170 Å²	170	143.6 Å²	143.6	89%	0.89	82%	0.816	S	S	*	*			trans	89.9	72.2	174.9	-51.7	173.7	0	0	0	116.3
352	R	28	Very low	30.8	Very low	230 Å²	230	139.4 Å²	139.4	87%	0.868	80%	0.803	S	S	*	*			trans	-85.2	140.8	145.6	-65	-173.4	-159.8	-171.8	5.1	109.3
353	N	27.6	Very low	31.4	Very low	145 Å²	145	141.5 Å²	141.5	78%	0.775	80%	0.795	S	S	*	*				158.1	105.7	119.6	-84.1	-13.2	0	0	0	109.4
354	Y	29.3	Very low	32.3	Very low	236 Å²	236	141.8 Å²	141.8	93%	0.925	79%	0.792	S	S	*	*			trans	-149.6	139.6	141.2	-114	-81.5	0	0	0	108.8
355	D	27.6	Very low	33.4	Very low	136 Å²	136	142 Å²	142	73%	0.727	79%	0.787	S	S	*	*			trans	-68	135.4	-150.8	-146	-38.2	0	0	0	115.3	S357	D355-S357 PolarHBondContact OD1-OG 2.88Å; D355-S357 VanDerWaalsContact OD1-OG 3.04Å
356	S	27.2	Very low	35.1	Very low	123 Å²	123	133.7 Å²	133.7	86%	0.86	75%	0.752	S	S	*	*			trans	-104.6	81.2	173.3	-71.8	0	0	0	0	108.9
357	S	28.9	Very low	37.3	Very low	91 Å²	91	131.6 Å²	131.6	64%	0.636	74%	0.735	S	S	*	*			trans	-158.3	65.8	173.2	56.4	0	0	0	0	113.2	D355	D355-S357 PolarHBondContact OD1-OG 2.88Å; D355-S357 VanDerWaalsContact OD1-OG 3.04Å
358	R	30.2	Very low	39	Very low	245 Å²	245	128.4 Å²	128.4	93%	0.925	71%	0.711	S	S	*	*			trans	-147.9	91.9	156.4	-122.3	175.1	-176.6	-150.6	0.2	112
359	S	30.9	Very low	41	Very low	121 Å²	121	134.2 Å²	134.2	85%	0.846	71%	0.712	S	S	*	*			trans	12.3	112.4	141.8	176.2	0	0	0	0	115.6	G361	S359-G361 PolarHBondContact O-N 3.06Å
360	G	30.5	Very low	43.3	Very low	78 Å²	78	134.1 Å²	134.1	80%	0.804	70%	0.701	S	S	*	*	P	Polyproline II helix	trans	-66.1	122.9	173.6	0	0	0	0	0	111.9
361	G	33	Very low	45.3	Very low	60 Å²	60	125.2 Å²	125.2	62%	0.619	66%	0.66	S	S	*	*	P	Polyproline II helix	trans	-77	162.4	165.2	0	0	0	0	0	111.7	S359 L363	S359-G361 PolarHBondContact O-N 3.06Å; G361-L363 PolarHBondContact O-N 3.32Å
362	P	37.1	Very low	47.3	Very low	95 Å²	95	119.2 Å²	119.2	62%	0.617	64%	0.635	S	S	*	*	P	Polyproline II helix	trans	-62	133.6	-174.9	-13	26.1	0	0	0	111	H364 L365	P362-H364 PolarHBondContact O-N 3.22Å; P362-L365 PolarHBondContact O-N 2.84Å
363	L	42.9	Very low	49.8	Very low	121 Å²	121	111.8 Å²	111.8	63%	0.634	62%	0.618	S	S	*	*	G	3₁₀ helix	trans	-55.5	-8.8	-176.3	-76.1	165.3	0	0	0	115.7	G361 L366 L390	G361-L363 PolarHBondContact O-N 3.32Å; L363-L366 HydrophobicContact CD2-CD1 4.35Å; L363-L390 HydrophobicContact CD2-CD2 4.26Å
364	H	47.7	Very low	52.4	Low	160 Å²	160	108.2 Å²	108.2	74%	0.741	60%	0.599	S	S	*	*	G	3₁₀ helix	trans	-85.5	-6.7	-178.4	-167.5	-86.2	0	0	0	114.4	P362	P362-H364 PolarHBondContact O-N 3.22Å
365	L	54.9	Low	55	Low	142 Å²	142	97.2 Å²	97.2	74%	0.743	56%	0.557	S	S	*	*	G	3₁₀ helix	trans	-99.2	-1.2	-176.3	-85.4	152.5	0	0	0	114.7	P362	P362-L365 PolarHBondContact O-N 2.84Å
366	L	64.2	Low	57.6	Low	45 Å²	45	98.3 Å²	98.3	24%	0.236	56%	0.555	C	S	.	*			trans	-82.4	129	-177.2	-77	149.1	0	0	0	111.5	L363 E370 A371 L374	L363-L366 HydrophobicContact CD2-CD1 4.35Å; L366-E370 HydrophobicContact CD2-CB 3.53Å; L366-A371 HydrophobicContact CB-CB 4.39Å; L366-L374 HydrophobicContact CD2-CD1 4.37Å
367	T	76.8	Confident	60.4	Low	67 Å²	67	96.1 Å²	96.1	41%	0.411	54%	0.54	S	S	.	.			trans	-64.3	153.1	167.2	63.9	0	0	0	0	110.1	R369 E370 A371	T367-R369 PolarHBondContact O-N 3.49Å; T367-E370 WeakPolarHBondContact CB-OE2 3.41Å; T367-E370 WeakPolarHBondContact CG2-OE2 3.33Å; T367-E370 PolarHBondContact N-OE2 3.05Å; T367-E370 PolarHBondContact O-N 3.14Å; T367-E370 WeakPolarHBondContact OG1-CG 3.1Å; T367-E370 PolarHBondContact OG1-N 2.96Å; T367-E370 PolarHBondContact OG1-OE2 2.6Å; T367-A371 PolarHBondContact O-N 3.49Å
368	P	72.2	Confident	63	Low	46 Å²	46	95.1 Å²	95.1	30%	0.299	52%	0.524	S	S	.	.	H	α-helix	trans	-54.8	-27.7	177.3	-27	34	0	0	0	113.6	A372	P368-A372 WeakPolarHBondContact O-CB 3.4Å; P368-A372 PolarHBondContact O-N 2.94Å; P368-A372 VanDerWaalsContact O-N 3.17Å
369	R	74.7	Confident	65.6	Low	218 Å²	218	92.1 Å²	92.1	82%	0.823	51%	0.512	S	S	*	.	H	α-helix	trans	-73.4	-42.5	176.8	-168.8	178.8	-165.9	177.6	3.2	112.2	T367 S373	T367-R369 PolarHBondContact O-N 3.49Å; R369-S373 PolarHBondContact O-N 3.12Å
370	E	78.1	Confident	67.9	Low	98 Å²	98	90.7 Å²	90.7	46%	0.458	51%	0.508	S	S	.	.	H	α-helix	trans	-69.3	-42.8	177.3	-70	160.6	155.4	0	0	111.1	L366 T367 A372 S373 L374	L366-E370 HydrophobicContact CD2-CB 3.53Å; T367-E370 WeakPolarHBondContact CB-OE2 3.41Å; T367-E370 WeakPolarHBondContact CG2-OE2 3.33Å; T367-E370 PolarHBondContact N-OE2 3.05Å; T367-E370 PolarHBondContact O-N 3.14Å; T367-E370 WeakPolarHBondContact OG1-CG 3.1Å; T367-E370 PolarHBondContact OG1-N 2.96Å; T367-E370 PolarHBondContact OG1-OE2 2.6Å; E370-A372 VanDerWaalsContact C-N 3.31Å; E370-A372 PolarHBondContact O-N 3.47Å; E370-S373 PolarHBondContact O-N 2.83Å; E370-L374 WeakPolarHBondContact O-CB 3.37Å; E370-L374 PolarHBondContact O-N 3.43Å
371	A	75.7	Confident	70.5	Confident	3 Å²	3	90.8 Å²	90.8	3%	0.025	50%	0.502	C	S	.	.	H	α-helix	trans	-59.8	-41.3	175.1	0	0	0	0	0	111.9	L366 T367 L374 A375 A394	L366-A371 HydrophobicContact CB-CB 4.39Å; T367-A371 PolarHBondContact O-N 3.49Å; A371-L374 PolarHBondContact O-N 3.05Å; A371-A375 WeakPolarHBondContact O-CB 3.2Å; A371-A375 PolarHBondContact O-N 3.47Å; A371-A394 HydrophobicContact CB-CB 3.82Å
372	A	75.9	Confident	73	Confident	43 Å²	43	90.4 Å²	90.4	36%	0.355	50%	0.497	S	S	.	.	H	α-helix	trans	-65	-41.8	174.1	0	0	0	0	0	112.7	P368 E370 A375 F376	P368-A372 WeakPolarHBondContact O-CB 3.4Å; P368-A372 PolarHBondContact O-N 2.94Å; P368-A372 VanDerWaalsContact O-N 3.17Å; E370-A372 VanDerWaalsContact C-N 3.31Å; E370-A372 PolarHBondContact O-N 3.47Å; A372-A375 PolarHBondContact O-N 2.93Å; A372-F376 WeakPolarHBondContact O-CD2 3.3Å; A372-F376 PolarHBondContact O-N 3.38Å
373	S	80.5	Confident	75.2	Confident	74 Å²	74	90 Å²	90	52%	0.517	49%	0.49	S	S	.	.	H	α-helix	trans	-63.3	-42	176.4	-169.3	0	0	0	0	111.9	R369 E370 F376 S377	R369-S373 PolarHBondContact O-N 3.12Å; E370-S373 PolarHBondContact O-N 2.83Å; S373-F376 WeakPolarHBondContact O-CB 3.5Å; S373-F376 PolarHBondContact O-N 3.01Å; S373-S377 PolarHBondContact O-N 3Å; S373-S377 PolarHBondContact O-OG 3.25Å
374	L	82.7	Confident	77.2	Confident	71 Å²	71	89.1 Å²	89.1	37%	0.372	49%	0.485	S	S	.	.	H	α-helix	trans	-71	-35.9	-178.8	-146.4	148.2	0	0	0	111.2	L366 E370 A371 F376 S377 K378 L390	L366-L374 HydrophobicContact CD2-CD1 4.37Å; E370-L374 WeakPolarHBondContact O-CB 3.37Å; E370-L374 PolarHBondContact O-N 3.43Å; A371-L374 PolarHBondContact O-N 3.05Å; L374-F376 VanDerWaalsContact C-N 3.34Å; L374-S377 PolarHBondContact O-N 3.45Å; L374-K378 HydrophobicContact CD2-CD 4.5Å; L374-K378 HydrophobicContact CD2-CG 4.27Å; L374-K378 PolarHBondContact O-N 3.04Å; L374-L390 HydrophobicContact CB-CD1 4.28Å; L374-L390 HydrophobicContact CD2-CD1 3.5Å
375	A	83.1	Confident	78.8	Confident	5 Å²	5	87.1 Å²	87.1	4%	0.041	48%	0.476	C	S	.	.	H	α-helix	trans	-62	-40.2	169.9	0	0	0	0	0	112.4	A371 A372 K378 R379 A387 L390 V391	A371-A375 WeakPolarHBondContact O-CB 3.2Å; A371-A375 PolarHBondContact O-N 3.47Å; A372-A375 PolarHBondContact O-N 2.93Å; A375-K378 PolarHBondContact O-N 3.17Å; A375-R379 VanDerWaalsContact O-CB 3.3Å; A375-R379 WeakPolarHBondContact O-CB 3.42Å; A375-R379 PolarHBondContact O-N 2.92Å; A375-A387 WeakPolarHBondContact O-CB 3.36Å; A375-L390 HydrophobicContact CB-CB 3.88Å; A375-V391 HydrophobicContact CB-CG2 3.72Å
376	F	81.8	Confident	79.9	Confident	159 Å²	159	83 Å²	83	70%	0.697	45%	0.454	S	S	*	.	H	α-helix	trans	-62.2	-45.6	174.2	-100.6	-79	0	0	0	112	A372 S373 L374 R379 A380	A372-F376 WeakPolarHBondContact O-CD2 3.3Å; A372-F376 PolarHBondContact O-N 3.38Å; S373-F376 WeakPolarHBondContact O-CB 3.5Å; S373-F376 PolarHBondContact O-N 3.01Å; L374-F376 VanDerWaalsContact C-N 3.34Å; F376-R379 PolarHBondContact O-N 2.96Å; F376-A380 WeakPolarHBondContact O-CB 3.26Å; F376-A380 PolarHBondContact O-N 3.36Å
377	S	85.6	Confident	80.8	Confident	76 Å²	76	81.2 Å²	81.2	53%	0.531	45%	0.446	S	S	.	.	H	α-helix	trans	-63.6	-42.5	176.9	-61.8	0	0	0	0	112.4	S373 L374 A380 A381	S373-S377 PolarHBondContact O-N 3Å; S373-S377 PolarHBondContact O-OG 3.25Å; L374-S377 PolarHBondContact O-N 3.45Å; S377-A380 PolarHBondContact O-N 3.02Å; S377-A381 WeakPolarHBondContact O-CB 3.46Å; S377-A381 PolarHBondContact O-N 2.87Å
378	K	84.3	Confident	81.1	Confident	71 Å²	71	83.2 Å²	83.2	31%	0.309	45%	0.449	S	S	.	.	H	α-helix	trans	-68	-35.2	177.5	-75.4	-148.3	169.5	-165.8	0	113.2	L374 A375 A381 G382 N383 D386 A387 L390	L374-K378 HydrophobicContact CD2-CD 4.5Å; L374-K378 HydrophobicContact CD2-CG 4.27Å; L374-K378 PolarHBondContact O-N 3.04Å; A375-K378 PolarHBondContact O-N 3.17Å; K378-A381 PolarHBondContact O-N 3.09Å; K378-G382 PolarHBondContact O-N 3.25Å; K378-N383 PolarHBondContact O-N 2.93Å; K378-D386 HydrophobicContact CD-CB 3.33Å; K378-D386 IonicContact NZ-OD2 3.39Å; K378-D386 PolarHBondContact NZ-OD2 3.47Å; K378-A387 HydrophobicContact CB-CB 4.19Å; K378-L390 HydrophobicContact CD-CD1 4.18Å; K378-L390 HydrophobicContact CG-CD1 4.47Å
379	R	84.8	Confident	81.6	Confident	181 Å²	181	85.9 Å²	85.9	68%	0.683	46%	0.461	S	S	*	.	H	α-helix	trans	-65.3	-39.6	171.9	-170.2	174.6	-170	160.5	4.6	112	A375 F376 A381 G382 A387	A375-R379 VanDerWaalsContact O-CB 3.3Å; A375-R379 WeakPolarHBondContact O-CB 3.42Å; A375-R379 PolarHBondContact O-N 2.92Å; F376-R379 PolarHBondContact O-N 2.96Å; R379-A381 VanDerWaalsContact C-N 3.3Å; R379-G382 PolarHBondContact O-N 3.07Å; R379-A387 HydrophobicContact CB-CB 4.12Å
380	A	79.9	Confident	81.9	Confident	92 Å²	92	76.3 Å²	76.3	76%	0.76	43%	0.426	S	S	*	.	H	α-helix	trans	-67.3	-30.5	175.1	0	0	0	0	0	112.6	F376 S377 G382	F376-A380 WeakPolarHBondContact O-CB 3.26Å; F376-A380 PolarHBondContact O-N 3.36Å; S377-A380 PolarHBondContact O-N 3.02Å; A380-G382 VanDerWaalsContact C-N 3.32Å
381	A	84.4	Confident	82.1	Confident	80 Å²	80	75.9 Å²	75.9	66%	0.661	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-0.4	176	0	0	0	0	0	114.6	S377 K378 R379	S377-A381 WeakPolarHBondContact O-CB 3.46Å; S377-A381 PolarHBondContact O-N 2.87Å; K378-A381 PolarHBondContact O-N 3.09Å; R379-A381 VanDerWaalsContact C-N 3.3Å
382	G	85.6	Confident	82.4	Confident	51 Å²	51	78.5 Å²	78.5	53%	0.526	45%	0.452	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.4	-3.4	179.3	0	0	0	0	0	115.8	K378 R379 A380 I384	K378-G382 PolarHBondContact O-N 3.25Å; R379-G382 PolarHBondContact O-N 3.07Å; A380-G382 VanDerWaalsContact C-N 3.32Å; G382-I384 PolarHBondContact O-N 3.03Å; G382-I384 VanDerWaalsContact O-N 3.07Å
383	N	84.2	Confident	82.5	Confident	87 Å²	87	79.5 Å²	79.5	47%	0.465	45%	0.453	S	S	.	.			trans	-83	82.7	174	-84.5	8.7	0	0	0	110.7	K378 D386 A387	K378-N383 PolarHBondContact O-N 2.93Å; N383-D386 HydrophobicContact CB-CB 4.38Å; N383-D386 PolarHBondContact ND2-OD2 3.4Å; N383-D386 VanDerWaalsContact ND2-OD2 3.09Å; N383-A387 WeakPolarHBondContact O-CB 3.37Å; N383-A387 PolarHBondContact O-N 3.05Å
384	I	83.8	Confident	82.4	Confident	103 Å²	103	76.7 Å²	76.7	53%	0.528	44%	0.435	S	S	.	.	H	α-helix	trans	-67	-37.3	-177.6	-61.6	172.4	0	0	0	111.8	G382 A387 K388	G382-I384 PolarHBondContact O-N 3.03Å; G382-I384 VanDerWaalsContact O-N 3.07Å; I384-A387 PolarHBondContact O-N 3.3Å; I384-K388 HydrophobicContact CG2-CD 4.42Å; I384-K388 WeakPolarHBondContact O-CG 3.2Å; I384-K388 PolarHBondContact O-N 3.29Å
385	E	80.9	Confident	82.1	Confident	117 Å²	117	74.6 Å²	74.6	55%	0.547	43%	0.431	S	S	.	.	H	α-helix	trans	-71.7	-48	-173.9	-139.3	58.5	-162.5	0	0	112	A387 K388 D389	E385-A387 PolarHBondContact O-N 3.08Å; E385-K388 WeakPolarHBondContact O-CB 3.48Å; E385-K388 PolarHBondContact O-N 3.04Å; E385-K388 VanDerWaalsContact O-N 3.07Å; E385-K388 IonicContact OE1-NZ 3Å; E385-K388 PolarHBondContact OE1-NZ 3.47Å; E385-K388 IonicContact OE2-NZ 3.52Å; E385-K388 PolarHBondContact OE2-NZ 3.15Å; E385-D389 PolarHBondContact O-N 3.24Å
386	D	78	Confident	81.8	Confident	56 Å²	56	78 Å²	78	30%	0.299	45%	0.446	S	S	.	.	H	α-helix	trans	-59.1	-34.4	173.2	-62.3	-18.7	0	0	0	112.6	K378 N383 L390	K378-D386 HydrophobicContact CD-CB 3.33Å; K378-D386 IonicContact NZ-OD2 3.39Å; K378-D386 PolarHBondContact NZ-OD2 3.47Å; N383-D386 HydrophobicContact CB-CB 4.38Å; N383-D386 PolarHBondContact ND2-OD2 3.4Å; N383-D386 VanDerWaalsContact ND2-OD2 3.09Å; D386-L390 WeakPolarHBondContact O-CB 3.45Å; D386-L390 WeakPolarHBondContact O-CD1 3.3Å; D386-L390 VanDerWaalsContact O-CG 3.3Å; D386-L390 WeakPolarHBondContact O-CG 3.41Å; D386-L390 PolarHBondContact O-N 3.47Å; D386-L390 VanDerWaalsContact O-N 3.08Å
387	A	83.6	Confident	81.5	Confident	8 Å²	8	72.6 Å²	72.6	7%	0.066	42%	0.424	C	S	.	.	H	α-helix	trans	-69.8	-36.4	177.8	0	0	0	0	0	111.8	A375 K378 R379 N383 I384 E385 V391	A375-A387 WeakPolarHBondContact O-CB 3.36Å; K378-A387 HydrophobicContact CB-CB 4.19Å; R379-A387 HydrophobicContact CB-CB 4.12Å; N383-A387 WeakPolarHBondContact O-CB 3.37Å; N383-A387 PolarHBondContact O-N 3.05Å; I384-A387 PolarHBondContact O-N 3.3Å; E385-A387 PolarHBondContact O-N 3.08Å; A387-V391 VanDerWaalsContact O-CG2 3.25Å; A387-V391 WeakPolarHBondContact O-CG2 3.34Å; A387-V391 PolarHBondContact O-N 3.28Å; A387-V391 VanDerWaalsContact O-N 3.11Å
388	K	82.8	Confident	81	Confident	109 Å²	109	76.4 Å²	76.4	47%	0.474	43%	0.426	S	S	.	.	H	α-helix	trans	-65.3	-44.9	173.9	-71.8	169	-178	163.6	0	111.1	I384 E385 L390 V391 A392	I384-K388 HydrophobicContact CG2-CD 4.42Å; I384-K388 WeakPolarHBondContact O-CG 3.2Å; I384-K388 PolarHBondContact O-N 3.29Å; E385-K388 WeakPolarHBondContact O-CB 3.48Å; E385-K388 PolarHBondContact O-N 3.04Å; E385-K388 VanDerWaalsContact O-N 3.07Å; E385-K388 IonicContact OE1-NZ 3Å; E385-K388 PolarHBondContact OE1-NZ 3.47Å; E385-K388 IonicContact OE2-NZ 3.52Å; E385-K388 PolarHBondContact OE2-NZ 3.15Å; K388-L390 PolarHBondContact O-N 2.79Å; K388-V391 PolarHBondContact O-N 3.12Å; K388-A392 WeakPolarHBondContact O-CB 3.31Å; K388-A392 PolarHBondContact O-N 3.05Å
389	D	83.2	Confident	80.6	Confident	102 Å²	102	79.7 Å²	79.7	55%	0.545	44%	0.437	S	S	.	.	H	α-helix	trans	-62.2	-42.2	178.9	-79	-7.1	0	0	0	111.8	E385 V391 A392 T393	E385-D389 PolarHBondContact O-N 3.24Å; D389-V391 PolarHBondContact O-N 2.94Å; D389-A392 PolarHBondContact O-N 3.28Å; D389-T393 WeakPolarHBondContact O-CB 3.37Å; D389-T393 PolarHBondContact O-N 3.15Å; D389-T393 PolarHBondContact O-OG1 3.05Å
390	L	81.9	Confident	80.2	Confident	16 Å²	16	75.9 Å²	75.9	8%	0.084	43%	0.427	C	S	.	.	H	α-helix	trans	-64.2	-39.1	175.5	-74.7	165.9	0	0	0	112.7	L363 L374 A375 K378 D386 K388 A394	L363-L390 HydrophobicContact CD2-CD2 4.26Å; L374-L390 HydrophobicContact CB-CD1 4.28Å; L374-L390 HydrophobicContact CD2-CD1 3.5Å; A375-L390 HydrophobicContact CB-CB 3.88Å; K378-L390 HydrophobicContact CD-CD1 4.18Å; K378-L390 HydrophobicContact CG-CD1 4.47Å; D386-L390 WeakPolarHBondContact O-CB 3.45Å; D386-L390 WeakPolarHBondContact O-CD1 3.3Å; D386-L390 VanDerWaalsContact O-CG 3.3Å; D386-L390 WeakPolarHBondContact O-CG 3.41Å; D386-L390 PolarHBondContact O-N 3.47Å; D386-L390 VanDerWaalsContact O-N 3.08Å; K388-L390 PolarHBondContact O-N 2.79Å; L390-A394 VanDerWaalsContact O-CB 3.31Å; L390-A394 WeakPolarHBondContact O-CB 3.25Å; L390-A394 PolarHBondContact O-N 3.37Å
391	V	81.3	Confident	79.8	Confident	90 Å²	90	79.2 Å²	79.2	55%	0.545	42%	0.42	S	S	.	.	H	α-helix	trans	-67.5	-41.3	175.5	170.4	0	0	0	0	111.2	A375 A387 K388 D389 A394 G395	A375-V391 HydrophobicContact CB-CG2 3.72Å; A387-V391 VanDerWaalsContact O-CG2 3.25Å; A387-V391 WeakPolarHBondContact O-CG2 3.34Å; A387-V391 PolarHBondContact O-N 3.28Å; A387-V391 VanDerWaalsContact O-N 3.11Å; K388-V391 PolarHBondContact O-N 3.12Å; D389-V391 PolarHBondContact O-N 2.94Å; V391-A394 PolarHBondContact O-N 2.99Å; V391-G395 PolarHBondContact O-N 3.17Å
392	A	81.7	Confident	79.2	Confident	58 Å²	58	79.4 Å²	79.4	48%	0.479	41%	0.407	S	S	.	.	H	α-helix	trans	-62.3	-44.6	176.1	0	0	0	0	0	111.2	K388 D389 G395 E396	K388-A392 WeakPolarHBondContact O-CB 3.31Å; K388-A392 PolarHBondContact O-N 3.05Å; D389-A392 PolarHBondContact O-N 3.28Å; A392-G395 PolarHBondContact O-N 2.96Å; A392-E396 PolarHBondContact O-N 3.4Å
393	T	78.5	Confident	78.4	Confident	63 Å²	63	83 Å²	83	39%	0.387	41%	0.411	S	S	.	.	H	α-helix	trans	-64.4	-41.8	177.4	-48.3	0	0	0	0	111.7	D389 G395 E396 L397	D389-T393 WeakPolarHBondContact O-CB 3.37Å; D389-T393 PolarHBondContact O-N 3.15Å; D389-T393 PolarHBondContact O-OG1 3.05Å; T393-G395 VanDerWaalsContact C-N 3.33Å; T393-G395 PolarHBondContact O-N 2.81Å; T393-E396 PolarHBondContact O-N 3.45Å; T393-L397 HydrophobicContact CG2-CD1 4.41Å; T393-L397 PolarHBondContact O-N 3.46Å
394	A	77.3	Confident	77.7	Confident	15 Å²	15	85.1 Å²	85.1	12%	0.124	42%	0.422	C	S	.	.	H	α-helix	trans	-64.6	-36.4	175.5	0	0	0	0	0	112.6	A371 L390 V391 R398	A371-A394 HydrophobicContact CB-CB 3.82Å; L390-A394 VanDerWaalsContact O-CB 3.31Å; L390-A394 WeakPolarHBondContact O-CB 3.25Å; L390-A394 PolarHBondContact O-N 3.37Å; V391-A394 PolarHBondContact O-N 2.99Å; A394-R398 WeakPolarHBondContact O-CB 3.47Å; A394-R398 PolarHBondContact O-N 3.11Å; A394-R398 VanDerWaalsContact O-N 3.16Å
395	G	77.5	Confident	76.6	Confident	28 Å²	28	85.6 Å²	85.6	29%	0.289	43%	0.425	S	S	.	.	H	α-helix	trans	-65	-41.6	173.7	0	0	0	0	0	112.6	V391 A392 T393 R398 R399	V391-G395 PolarHBondContact O-N 3.17Å; A392-G395 PolarHBondContact O-N 2.96Å; T393-G395 VanDerWaalsContact C-N 3.33Å; T393-G395 PolarHBondContact O-N 2.81Å; G395-R398 WeakPolarHBondContact O-CB 3.3Å; G395-R398 PolarHBondContact O-N 3.48Å; G395-R399 PolarHBondContact O-N 2.97Å; G395-R399 VanDerWaalsContact O-N 3.1Å
396	E	76.5	Confident	75.1	Confident	76 Å²	76	86.6 Å²	86.6	36%	0.355	43%	0.43	S	S	.	.	H	α-helix	trans	-67	-46	177.9	-170.2	55.7	-145.9	0	0	112.4	A392 T393 R398 R399 Q400	A392-E396 PolarHBondContact O-N 3.4Å; T393-E396 PolarHBondContact O-N 3.45Å; E396-R398 PolarHBondContact O-N 3.22Å; E396-R399 WeakPolarHBondContact O-CB 3.5Å; E396-R399 PolarHBondContact O-N 3.46Å; E396-R399 VanDerWaalsContact O-N 3.11Å; E396-R399 IonicContact OE2-CZ 2.6Å; E396-R399 VanDerWaalsContact OE2-CZ 3.25Å; E396-R399 IonicContact OE2-NE 3.53Å; E396-R399 PolarHBondContact OE2-NE 3.07Å; E396-R399 IonicContact OE2-NH2 3.01Å; E396-R399 PolarHBondContact OE2-NH2 3.07Å; E396-Q400 PolarHBondContact O-N 3.07Å
397	L	76.1	Confident	73.4	Confident	46 Å²	46	86 Å²	86	24%	0.241	44%	0.437	C	S	.	.	H	α-helix	trans	-57.6	-35.9	173.9	-91.6	156.7	0	0	0	112.5	T393 R401	T393-L397 HydrophobicContact CG2-CD1 4.41Å; T393-L397 PolarHBondContact O-N 3.46Å; L397-R401 WeakPolarHBondContact O-CB 3.38Å; L397-R401 PolarHBondContact O-N 3.22Å; L397-R401 VanDerWaalsContact O-N 3.11Å
398	R	74.6	Confident	71.3	Confident	156 Å²	156	90.3 Å²	90.3	59%	0.589	46%	0.463	S	S	*	.	H	α-helix	trans	-66.9	-45.6	175.6	-174.5	179.6	-178.7	119.6	5.3	111.6	A394 G395 E396 R401 E402	A394-R398 WeakPolarHBondContact O-CB 3.47Å; A394-R398 PolarHBondContact O-N 3.11Å; A394-R398 VanDerWaalsContact O-N 3.16Å; G395-R398 WeakPolarHBondContact O-CB 3.3Å; G395-R398 PolarHBondContact O-N 3.48Å; E396-R398 PolarHBondContact O-N 3.22Å; R398-R401 PolarHBondContact O-N 3.4Å; R398-E402 IonicContact CZ-OE1 2.76Å; R398-E402 IonicContact NE-OE1 2.97Å; R398-E402 PolarHBondContact NE-OE1 3.36Å; R398-E402 IonicContact NH2-OE1 3.49Å; R398-E402 PolarHBondContact NH2-OE1 3.08Å; R398-E402 WeakPolarHBondContact O-CG 3.44Å; R398-E402 PolarHBondContact O-N 3.45Å
399	R	75.6	Confident	69.1	Low	140 Å²	140	90.5 Å²	90.5	53%	0.528	47%	0.473	S	S	.	.	H	α-helix	trans	-59.7	-44.9	176.4	-74.8	-170.9	-76.7	-109.3	3.1	111.9	G395 E396 R401 E402 M403	G395-R399 PolarHBondContact O-N 2.97Å; G395-R399 VanDerWaalsContact O-N 3.1Å; E396-R399 WeakPolarHBondContact O-CB 3.5Å; E396-R399 PolarHBondContact O-N 3.46Å; E396-R399 VanDerWaalsContact O-N 3.11Å; E396-R399 IonicContact OE2-CZ 2.6Å; E396-R399 VanDerWaalsContact OE2-CZ 3.25Å; E396-R399 IonicContact OE2-NE 3.53Å; E396-R399 PolarHBondContact OE2-NE 3.07Å; E396-R399 IonicContact OE2-NH2 3.01Å; E396-R399 PolarHBondContact OE2-NH2 3.07Å; R399-R401 VanDerWaalsContact C-N 3.33Å; R399-R401 PolarHBondContact O-N 2.69Å; R399-E402 PolarHBondContact O-N 2.84Å; R399-M403 PolarHBondContact O-N 3.16Å
400	Q	76.4	Confident	66.8	Low	100 Å²	100	94 Å²	94	47%	0.467	49%	0.486	S	S	.	.	H	α-helix	trans	-61.3	-41.2	177.1	-71.1	-176.7	-10.3	0	0	112.3	E396 M403 L404	E396-Q400 PolarHBondContact O-N 3.07Å; Q400-M403 PolarHBondContact O-N 3.26Å; Q400-L404 PolarHBondContact O-N 2.85Å; Q400-L404 VanDerWaalsContact O-N 3.07Å
401	R	72.8	Confident	64.4	Low	163 Å²	163	100 Å²	100	62%	0.615	52%	0.518	S	S	*	.	H	α-helix	trans	-66.7	-42	177.2	-165.3	176.5	-173.6	172.8	3.8	112	L397 R398 R399 M403 L404 L405	L397-R401 WeakPolarHBondContact O-CB 3.38Å; L397-R401 PolarHBondContact O-N 3.22Å; L397-R401 VanDerWaalsContact O-N 3.11Å; R398-R401 PolarHBondContact O-N 3.4Å; R399-R401 VanDerWaalsContact C-N 3.33Å; R399-R401 PolarHBondContact O-N 2.69Å; R401-M403 VanDerWaalsContact C-N 3.34Å; R401-L404 PolarHBondContact O-N 2.78Å; R401-L405 HydrophobicContact CG-CD1 4.07Å; R401-L405 WeakPolarHBondContact O-CD1 3.4Å; R401-L405 PolarHBondContact O-N 3Å; R401-L405 VanDerWaalsContact O-N 3.08Å
402	E	71.1	Confident	62	Low	83 Å²	83	100.8 Å²	100.8	39%	0.388	53%	0.528	S	S	.	.	H	α-helix	trans	-65.1	-35.9	177.1	-73.2	172.1	-179.7	0	0	111.8	R398 R399 L405 Q406	R398-E402 IonicContact CZ-OE1 2.76Å; R398-E402 IonicContact NE-OE1 2.97Å; R398-E402 PolarHBondContact NE-OE1 3.36Å; R398-E402 IonicContact NH2-OE1 3.49Å; R398-E402 PolarHBondContact NH2-OE1 3.08Å; R398-E402 WeakPolarHBondContact O-CG 3.44Å; R398-E402 PolarHBondContact O-N 3.45Å; R399-E402 PolarHBondContact O-N 2.84Å; E402-L405 PolarHBondContact O-N 3.29Å; E402-Q406 WeakPolarHBondContact O-CG 3.49Å; E402-Q406 PolarHBondContact O-N 3.25Å
403	M	68.9	Low	59.7	Low	126 Å²	126	104.3 Å²	104.3	62%	0.621	54%	0.543	S	S	*	.	H	α-helix	trans	-65.9	-41.1	171.7	-78.4	-163	-77.7	0	0	113	R399 Q400 R401 L405 Q406 G407	R399-M403 PolarHBondContact O-N 3.16Å; Q400-M403 PolarHBondContact O-N 3.26Å; R401-M403 VanDerWaalsContact C-N 3.34Å; M403-L405 VanDerWaalsContact C-N 3.33Å; M403-L405 PolarHBondContact O-N 3.1Å; M403-Q406 PolarHBondContact O-N 3.26Å; M403-G407 PolarHBondContact O-N 2.96Å
404	L	68.7	Low	57.2	Low	132 Å²	132	112.4 Å²	112.4	69%	0.691	57%	0.567	S	S	*	*	H	α-helix	trans	-65.6	-36.7	177.8	-156.1	77.4	0	0	0	111.8	Q400 R401 T408	Q400-L404 PolarHBondContact O-N 2.85Å; Q400-L404 VanDerWaalsContact O-N 3.07Å; R401-L404 PolarHBondContact O-N 2.78Å; L404-T408 PolarHBondContact O-N 3.46Å; L404-T408 PolarHBondContact O-OG1 2.92Å
405	L	60.2	Low	55	Low	113 Å²	113	117.4 Å²	117.4	59%	0.592	60%	0.596	S	S	*	*	H	α-helix	trans	-68.4	-31.2	176.1	-82.2	147.9	0	0	0	113	R401 E402 M403	R401-L405 HydrophobicContact CG-CD1 4.07Å; R401-L405 WeakPolarHBondContact O-CD1 3.4Å; R401-L405 PolarHBondContact O-N 3Å; R401-L405 VanDerWaalsContact O-N 3.08Å; E402-L405 PolarHBondContact O-N 3.29Å; M403-L405 VanDerWaalsContact C-N 3.33Å; M403-L405 PolarHBondContact O-N 3.1Å
406	Q	49.6	Very low	52.7	Low	138 Å²	138	124.4 Å²	124.4	65%	0.645	62%	0.621	S	S	*	*	H	α-helix	trans	-81.3	-32.9	175.9	-72.7	173.5	28.4	0	0	112.7	E402 M403 T408 T409	E402-Q406 WeakPolarHBondContact O-CG 3.49Å; E402-Q406 PolarHBondContact O-N 3.25Å; M403-Q406 PolarHBondContact O-N 3.26Å; Q406-T408 VanDerWaalsContact C-N 3.26Å; Q406-T408 PolarHBondContact O-N 3.4Å; Q406-T409 PolarHBondContact O-N 3.01Å; Q406-T409 PolarHBondContact O-OG1 2.89Å
407	G	43.5	Very low	50.3	Low	44 Å²	44	125.2 Å²	125.2	45%	0.454	64%	0.641	S	S	.	*	H	α-helix	trans	-67.7	-23.2	174.5	0	0	0	0	0	114.2	M403 T409	M403-G407 PolarHBondContact O-N 2.96Å; G407-T409 VanDerWaalsContact C-N 3.3Å; G407-T409 PolarHBondContact O-N 3.43Å
408	T	39.5	Very low	48.1	Very low	99 Å²	99	134.5 Å²	134.5	61%	0.607	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.2	-10.5	179.9	-40.1	0	0	0	0	112.7	L404 Q406	L404-T408 PolarHBondContact O-N 3.46Å; L404-T408 PolarHBondContact O-OG1 2.92Å; Q406-T408 VanDerWaalsContact C-N 3.26Å; Q406-T408 PolarHBondContact O-N 3.4Å
409	T	36	Very low	46.1	Very low	113 Å²	113	132.8 Å²	132.8	69%	0.693	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.6	-3.1	-178.8	42.4	0	0	0	0	115.4	Q406 G407	Q406-T409 PolarHBondContact O-N 3.01Å; Q406-T409 PolarHBondContact O-OG1 2.89Å; G407-T409 VanDerWaalsContact C-N 3.3Å; G407-T409 PolarHBondContact O-N 3.43Å
410	Q	34.9	Very low	44	Very low	174 Å²	174	133.8 Å²	133.8	81%	0.813	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.2	-7.1	176.3	-72.7	-165.8	-18.8	0	0	115.1
411	N	31.7	Very low	41.8	Very low	143 Å²	143	139.2 Å²	139.2	77%	0.765	72%	0.723	S	S	*	*	S	Bend	trans	-108.7	14.6	179.4	-78.6	-14.8	0	0	0	114.9
412	S	30.6	Very low	39.7	Very low	106 Å²	106	136 Å²	136	74%	0.741	73%	0.726	S	S	*	*	S	Bend	trans	-108.2	24.1	178.7	-156.8	0	0	0	0	113.7
413	V	33.2	Very low	38.1	Very low	132 Å²	132	141.6 Å²	141.6	80%	0.8	75%	0.751	S	S	*	*	S	Bend	trans	-132.7	65.8	170.7	-172.2	0	0	0	0	108.4
414	R	26.8	Very low	36.4	Very low	234 Å²	234	139.3 Å²	139.3	88%	0.883	76%	0.761	S	S	*	*	S	Bend	trans	172.7	134.9	158.3	-98.4	155.1	179.7	-172.7	-0.4	107.9
415	T	30.9	Very low	34.6	Very low	120 Å²	120	140.7 Å²	140.7	74%	0.736	77%	0.769	S	S	*	*			trans	99.2	90.9	168	-28.1	0	0	0	0	116
416	E	28.7	Very low	33.5	Very low	174 Å²	174	140 Å²	140	81%	0.813	77%	0.771	S	S	*	*				62.1	107.2	126.8	-59.6	176.9	-170.7	0	0	118.5
417	A	27.3	Very low	32.6	Very low	93 Å²	93	138.9 Å²	138.9	77%	0.769	77%	0.774	S	S	*	*				69.5	115.4	83.4	0	0	0	0	0	114.2
418	R	28.1	Very low	32	Very low	241 Å²	241	148.6 Å²	148.6	91%	0.909	80%	0.797	S	S	*	*			trans	70.7	106.1	165.7	-67.8	176.4	163.4	173.3	-4.6	117.7
419	S	34.5	Very low	31.6	Very low	121 Å²	121	148.6 Å²	148.6	85%	0.846	80%	0.801	S	S	*	*				168.2	141.9	101.1	49.7	0	0	0	0	111.5
420	N	29.7	Very low	31.2	Very low	160 Å²	160	154.7 Å²	154.7	86%	0.856	81%	0.811	S	S	*	*			trans	-74.7	136.5	-178.7	-63.3	-43.6	0	0	0	111
421	F	30.5	Very low	30.9	Very low	214 Å²	214	156.5 Å²	156.5	94%	0.939	82%	0.816	S	S	*	*			trans	-143.2	116.9	150.6	-122	-89	0	0	0	109.6
422	S	29.4	Very low	30.8	Very low	97 Å²	97	153.9 Å²	153.9	68%	0.678	82%	0.815	S	S	*	*			trans	-102.1	138.7	171.1	75.5	0	0	0	0	109.5
423	Q	36.5	Very low	30.7	Very low	199 Å²	199	155.4 Å²	155.4	93%	0.93	82%	0.819	S	S	*	*				159.5	135.6	127.8	-95.1	-176.9	-6.9	0	0	110.3
424	G	34.1	Very low	30.5	Very low	79 Å²	79	153.7 Å²	153.7	81%	0.814	82%	0.819	S	S	*	*			trans	125.8	68.9	153	0	0	0	0	0	116.6
425	D	30.2	Very low	30.7	Very low	161 Å²	161	148 Å²	148	86%	0.861	82%	0.815	S	S	*	*			trans	-62	167.6	148.8	-104.6	-20	0	0	0	110.1
426	P	38.6	Very low	30.7	Very low	99 Å²	99	145.5 Å²	145.5	64%	0.643	81%	0.813	S	S	*	*			cis	-146.6	179.7	21.1	31.4	-6	0	0	0	117.7
427	T	29.3	Very low	30.7	Very low	114 Å²	114	142.6 Å²	142.6	70%	0.699	81%	0.812	S	S	*	*			trans	82.7	136.2	140.9	42.1	0	0	0	0	123.7
428	W	32	Very low	31.3	Very low	247 Å²	247	144.2 Å²	144.2	94%	0.936	81%	0.813	S	S	*	*			trans	76.3	138	169.9	-71.6	-36	0	0	0	117.9
429	S	30.3	Very low	31.6	Very low	100 Å²	100	140.7 Å²	140.7	70%	0.699	80%	0.804	S	S	*	*			cis	-171.7	154.2	-1.6	53.1	0	0	0	0	108.5
430	R	28.3	Very low	31.5	Very low	241 Å²	241	146.5 Å²	146.5	91%	0.909	81%	0.807	S	S	*	*			trans	27.6	99.8	162.2	-66	-179.8	-161.4	-170.4	4.5	118	A432	R430-A432 PolarHBondContact O-N 3.33Å; R430-A432 VanDerWaalsContact O-N 3.08Å
431	K	28.3	Very low	31.5	Very low	211 Å²	211	143.2 Å²	143.2	92%	0.917	80%	0.802	S	S	*	*			trans	-74.5	93.7	150.5	-104.6	177.5	179.1	174.3	0	108.8	V433	K431-V433 PolarHBondContact O-N 2.87Å; K431-V433 VanDerWaalsContact O-N 3.17Å
432	A	29.6	Very low	31.7	Very low	88 Å²	88	139.2 Å²	139.2	73%	0.727	80%	0.799	S	S	*	*			trans	-60.2	110.6	166.1	0	0	0	0	0	109.4	R430 A434	R430-A432 PolarHBondContact O-N 3.33Å; R430-A432 VanDerWaalsContact O-N 3.08Å; A432-A434 VanDerWaalsContact C-N 3.31Å; A432-A434 PolarHBondContact O-N 2.67Å; A432-A434 VanDerWaalsContact O-N 3.11Å
433	V	28.2	Very low	31.9	Very low	138 Å²	138	140.4 Å²	140.4	84%	0.836	80%	0.802	S	S	*	*			trans	-75.3	91	162.7	176.8	0	0	0	0	106.2	K431 S435	K431-V433 PolarHBondContact O-N 2.87Å; K431-V433 VanDerWaalsContact O-N 3.17Å; V433-S435 VanDerWaalsContact C-N 3.32Å; V433-S435 PolarHBondContact O-N 3.46Å
434	A	30.3	Very low	31.6	Very low	97 Å²	97	136.2 Å²	136.2	80%	0.802	79%	0.79	S	S	*	*			trans	-70.1	93.6	170	0	0	0	0	0	108.7	A432 G436	A432-A434 VanDerWaalsContact C-N 3.31Å; A432-A434 PolarHBondContact O-N 2.67Å; A432-A434 VanDerWaalsContact O-N 3.11Å; A434-G436 VanDerWaalsContact C-N 3.27Å; A434-G436 PolarHBondContact O-N 3.49Å
435	S	29.7	Very low	31.8	Very low	115 Å²	115	137.9 Å²	137.9	80%	0.804	78%	0.784	S	S	*	*			trans	-65.3	87.6	162.4	-176.1	0	0	0	0	108.5	V433	V433-S435 VanDerWaalsContact C-N 3.32Å; V433-S435 PolarHBondContact O-N 3.46Å
436	G	30.5	Very low	31.7	Very low	66 Å²	66	140.6 Å²	140.6	68%	0.68	78%	0.784	S	S	*	*			trans	-105.3	81.8	173.8	0	0	0	0	0	110.1	A434 T438	A434-G436 VanDerWaalsContact C-N 3.27Å; A434-G436 PolarHBondContact O-N 3.49Å; G436-T438 PolarHBondContact O-N 3.08Å
437	S	30	Very low	31.6	Very low	113 Å²	113	141.3 Å²	141.3	79%	0.79	79%	0.792	S	S	*	*			trans	-75.5	94.8	170.5	167.9	0	0	0	0	109.7
438	T	39.8	Very low	31.6	Very low	128 Å²	128	139.2 Å²	139.2	79%	0.785	79%	0.792	S	S	*	*			trans	-126.3	102.2	165.3	-40.5	0	0	0	0	109	G436 R440	G436-T438 PolarHBondContact O-N 3.08Å; T438-R440 PolarHBondContact O-N 3.19Å
439	K	33.7	Very low	31.9	Very low	167 Å²	167	133.9 Å²	133.9	73%	0.726	79%	0.787	S	S	*	*			trans	-53	117.6	163.9	-76	177.5	174.4	176	0	108.6
440	R	31.8	Very low	32.2	Very low	242 Å²	242	137.7 Å²	137.7	91%	0.913	79%	0.794	S	S	*	*			trans	170.5	143.8	137.4	-93.2	161.3	-171.9	-119.6	3.5	112.8	T438	T438-R440 PolarHBondContact O-N 3.19Å
441	A	31.6	Very low	32.6	Very low	92 Å²	92	134.3 Å²	134.3	76%	0.76	79%	0.794	S	S	*	*			trans	74.9	92.2	161.1	0	0	0	0	0	118.7
442	C	34.1	Very low	32.9	Very low	129 Å²	129	130.1 Å²	130.1	87%	0.872	79%	0.791	S	S	*	*			trans	-81	114.4	145.7	-75.2	0	0	0	0	107.9
443	V	32.2	Very low	33.2	Very low	123 Å²	123	135.3 Å²	135.3	75%	0.745	80%	0.8	S	S	*	*			trans	-83.5	115.3	159	174	0	0	0	0	106	T445	V443-T445 HydrophobicContact CG1-CG2 4.07Å
444	V	31.7	Very low	33.4	Very low	110 Å²	110	133.7 Å²	133.7	67%	0.667	80%	0.795	S	S	*	*			trans	-84.4	109.2	167.9	175.8	0	0	0	0	106.5	Y446	V444-Y446 HydrophobicContact CG1-CD2 3.89Å; V444-Y446 HydrophobicContact CG1-CE2 3.8Å
445	T	37	Very low	33.7	Very low	114 Å²	114	138.1 Å²	138.1	70%	0.699	80%	0.799	S	S	*	*			trans	-94.3	113.9	162.9	49.4	0	0	0	0	107.9	V443	V443-T445 HydrophobicContact CG1-CG2 4.07Å
446	Y	29.6	Very low	33.7	Very low	219 Å²	219	139.5 Å²	139.5	86%	0.859	80%	0.798	S	S	*	*			trans	-69.7	125.1	164.6	-80.1	-99.6	0	0	0	108.5	V444	V444-Y446 HydrophobicContact CG1-CD2 3.89Å; V444-Y446 HydrophobicContact CG1-CE2 3.8Å
447	S	34.9	Very low	33.9	Very low	114 Å²	114	143.5 Å²	143.5	80%	0.797	80%	0.803	S	S	*	*			trans	-123.2	90.4	160.5	-53.8	0	0	0	0	106.5
448	G	29.3	Very low	34	Very low	69 Å²	69	148 Å²	148	71%	0.711	80%	0.804	S	S	*	*			trans	-85.3	130.8	159.9	0	0	0	0	0	108
449	T	39.9	Very low	33.4	Very low	135 Å²	135	149 Å²	149	83%	0.828	80%	0.804	S	S	*	*			trans	-141.2	110.6	152.9	49.8	0	0	0	0	107
450	E	34.8	Very low	33.3	Very low	180 Å²	180	147.1 Å²	147.1	84%	0.841	81%	0.807	S	S	*	*			trans	-32.5	137.7	155.9	-60.4	148.9	-144	0	0	112.7
451	D	38.3	Very low	33.3	Very low	171 Å²	171	141.2 Å²	141.2	91%	0.914	80%	0.798	S	S	*	*			trans	-161.6	96.4	146.4	-85.2	-30.5	0	0	0	107.6
452	S	33.2	Very low	33.4	Very low	122 Å²	122	146 Å²	146	85%	0.853	80%	0.804	S	S	*	*			trans	-104.7	113.9	163	-75.8	0	0	0	0	107.2
453	E	37.3	Very low	33.1	Very low	197 Å²	197	147.5 Å²	147.5	92%	0.921	80%	0.803	S	S	*	*			trans	-133	118.4	150.9	-75.3	-164.7	161.2	0	0	109.8
454	S	32.1	Very low	33	Very low	104 Å²	104	153.4 Å²	153.4	73%	0.727	81%	0.812	S	S	*	*			trans	-55.8	146.8	170.4	43.2	0	0	0	0	114.5
455	Q	35.8	Very low	32.8	Very low	190 Å²	190	152.8 Å²	152.8	89%	0.888	81%	0.812	S	S	*	*				-171.3	129.4	117.1	-104.4	167.8	15.4	0	0	112.1
456	D	29.8	Very low	32.7	Very low	144 Å²	144	156.1 Å²	156.1	77%	0.77	82%	0.82	S	S	*	*			trans	-57.8	158.1	172	-55.9	-66.6	0	0	0	112.8
457	L	34.2	Very low	32.8	Very low	150 Å²	150	148.7 Å²	148.7	79%	0.785	81%	0.81	S	S	*	*				179.9	123.1	122.5	-110.3	85.5	0	0	0	112.8
458	Y	33.6	Very low	32.7	Very low	208 Å²	208	153.4 Å²	153.4	82%	0.816	81%	0.812	S	S	*	*			trans	73.4	102.5	152.3	-71.9	-86.8	0	0	0	123.6
459	N	26.7	Very low	32.8	Very low	148 Å²	148	155.6 Å²	155.6	79%	0.791	81%	0.811	S	S	*	*			trans	-53.7	146.8	136.8	-82.2	-29.7	0	0	0	112.3
460	T	31.7	Very low	32.5	Very low	128 Å²	128	157.1 Å²	157.1	79%	0.785	81%	0.809	S	S	*	*			trans	-153	116.4	131.9	-68.5	0	0	0	0	109
461	V	31.3	Very low	32.3	Very low	119 Å²	119	153.3 Å²	153.3	72%	0.721	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-95.1	126.4	165.8	168.2	0	0	0	0	106.5	L463	V461-L463 HydrophobicContact CG1-CG 4.41Å
462	E	33.1	Very low	32.1	Very low	191 Å²	191	152.6 Å²	152.6	89%	0.893	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-99.1	125	161.1	-83.3	-161.7	150.1	0	0	110.1
463	L	28.7	Very low	32.2	Very low	161 Å²	161	153 Å²	153	84%	0.843	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-102	125.5	168.8	-86.5	156.6	0	0	0	108.6	V461	V461-L463 HydrophobicContact CG1-CG 4.41Å
464	R	30.4	Very low	32.2	Very low	247 Å²	247	148.5 Å²	148.5	93%	0.932	78%	0.783	S	S	*	*			trans	-158.4	98.6	149.2	-143.2	170.8	178.4	139.5	-1.5	114.6
465	S	27.9	Very low	32	Very low	97 Å²	97	148.4 Å²	148.4	68%	0.678	78%	0.783	S	S	*	*			trans	13.2	148.3	134.8	-152.6	0	0	0	0	123.4
466	Q	34.7	Very low	32	Very low	185 Å²	185	147.2 Å²	147.2	86%	0.864	78%	0.78	S	S	*	*			trans	83.2	134.6	157.1	-44.9	-168.3	-5.5	0	0	117
467	G	30.7	Very low	31.9	Very low	62 Å²	62	147.7 Å²	147.7	64%	0.639	78%	0.778	S	S	*	*			cis	170.1	160.5	2.3	0	0	0	0	0	109.9
468	Y	32.4	Very low	31.8	Very low	214 Å²	214	147 Å²	147	84%	0.839	77%	0.771	S	S	*	*			trans	78.5	119.4	155	-61.1	-77.7	0	0	0	123.1
469	T	33.2	Very low	31.6	Very low	115 Å²	115	144.7 Å²	144.7	71%	0.706	77%	0.767	S	S	*	*			trans	66.5	147.5	133.5	61.2	0	0	0	0	119.5
470	Q	32.5	Very low	31.7	Very low	167 Å²	167	146 Å²	146	78%	0.78	77%	0.769	S	S	*	*			cis	-172.9	155.1	-9.4	-112.6	-178.8	19.8	0	0	105.9
471	S	31.3	Very low	31.6	Very low	100 Å²	100	149.1 Å²	149.1	70%	0.699	77%	0.774	S	S	*	*			trans	68.8	142	151.6	80.5	0	0	0	0	117.2
472	N	33.6	Very low	31.2	Very low	155 Å²	155	152 Å²	152	83%	0.829	78%	0.78	S	S	*	*			cis	-155.3	160.1	25.6	-104.4	-30.3	0	0	0	111.1
473	V	35.5	Very low	31.1	Very low	131 Å²	131	147.6 Å²	147.6	79%	0.794	77%	0.768	S	S	*	*			trans	-107.2	-174.4	-172	170.7	0	0	0	0	106.7
474	P	35.9	Very low	31.1	Very low	103 Å²	103	149.5 Å²	149.5	67%	0.669	77%	0.772	S	S	*	*			cis	-137.2	-171.4	-40.9	37.9	-21	0	0	0	115.9
475	S	29	Very low	30.7	Very low	102 Å²	102	143.8 Å²	143.8	71%	0.713	77%	0.765	S	S	*	*				108.6	154.4	125	-81.2	0	0	0	0	122.2
476	I	34.8	Very low	30.8	Very low	164 Å²	164	148.7 Å²	148.7	84%	0.841	77%	0.774	S	S	*	*			trans	100.8	94	177.2	-53.8	161.5	0	0	0	110.8
477	E	28	Very low	30.3	Very low	155 Å²	155	146.7 Å²	146.7	72%	0.724	77%	0.767	S	S	*	*			cis	70.8	123.3	41.3	-138.4	-163.2	133.4	0	0	116.2
478	Q	31.7	Very low	30.4	Very low	136 Å²	136	149.5 Å²	149.5	64%	0.636	77%	0.772	S	S	*	*			trans	114.7	115	147.8	-60.2	-167.4	4.9	0	0	120.2
479	Q	31.3	Very low	30.3	Very low	158 Å²	158	147.4 Å²	147.4	74%	0.738	77%	0.769	S	S	*	*			trans	85.3	96.5	132	-68.9	170.3	22.6	0	0	121.1
480	Q	27.1	Very low	30	Very low	175 Å²	175	146.7 Å²	146.7	82%	0.818	78%	0.775	S	S	*	*				47.3	108.5	107.5	-150.4	172.3	75.2	0	0	118.6
481	Q	29.5	Very low	30.1	Very low	194 Å²	194	144.5 Å²	144.5	91%	0.907	78%	0.775	S	S	*	*			trans	174.8	132.4	132.2	-94.1	159.3	40.8	0	0	112.3
482	Q	23.2	Very low	30.2	Very low	181 Å²	181	144.9 Å²	144.9	85%	0.846	78%	0.778	S	S	*	*			trans	-73.1	-170.9	168.6	-67.1	-175.3	0.7	0	0	111.3
483	P	31.2	Very low	30.1	Very low	98 Å²	98	144.8 Å²	144.8	64%	0.636	78%	0.777	S	S	*	*				-123.9	158.3	-55.5	32.4	-17.3	0	0	0	111.3
484	H	28.6	Very low	30	Very low	201 Å²	201	147.4 Å²	147.4	93%	0.931	78%	0.783	S	S	*	*			trans	-149.2	125.4	162.3	-92.1	-74	0	0	0	114
485	V	23.6	Very low	30	Very low	127 Å²	127	147.1 Å²	147.1	77%	0.77	78%	0.781	S	S	*	*			trans	-68.1	138	166.9	172.6	0	0	0	0	109.8	I487	V485-I487 HydrophobicContact CG1-CG1 4.3Å
486	K	29.6	Very low	30.2	Very low	200 Å²	200	149.6 Å²	149.6	87%	0.87	79%	0.785	S	S	*	*			trans	-127.3	112.1	168.5	-119.5	176.6	-176.4	175.9	0	110.2
487	I	24.3	Very low	30	Very low	143 Å²	143	149 Å²	149	73%	0.733	78%	0.784	S	S	*	*			trans	-89.7	134.3	166.2	-64.1	169.6	0	0	0	107.1	V485	V485-I487 HydrophobicContact CG1-CG1 4.3Å
488	V	31.3	Very low	30.2	Very low	120 Å²	120	146 Å²	146	73%	0.727	78%	0.78	S	S	*	*			trans	-135.9	102.1	167.9	-177.2	0	0	0	0	110.6
489	H	30.4	Very low	30.3	Very low	170 Å²	170	145 Å²	145	79%	0.787	78%	0.783	S	S	*	*			trans	33.7	124.5	134.6	-58.6	97.7	0	0	0	122
490	A	27	Very low	30.3	Very low	100 Å²	100	145 Å²	145	83%	0.826	79%	0.788	S	S	*	*			trans	-105.1	157.4	154.7	0	0	0	0	0	110.4
491	P	35.7	Very low	30.8	Very low	121 Å²	121	142.3 Å²	142.3	79%	0.786	79%	0.786	S	S	*	*			trans	-125.4	134.5	159.2	30.1	-13.5	0	0	0	115
492	S	32.5	Very low	30.6	Very low	108 Å²	108	138.8 Å²	138.8	76%	0.755	78%	0.78	S	S	*	*				72.8	103.2	126.5	-162.5	0	0	0	0	119.1
493	L	31.6	Very low	31	Very low	154 Å²	154	137 Å²	137	81%	0.806	78%	0.781	S	S	*	*				64.4	116.7	82.3	-86.8	162	0	0	0	116.2
494	M	33.5	Very low	30.8	Very low	186 Å²	186	140.7 Å²	140.7	92%	0.916	79%	0.79	S	S	*	*				-173.7	154	125.6	-86.1	-99.5	171	0	0	110.9
495	P	35.7	Very low	30.6	Very low	97 Å²	97	137.8 Å²	137.8	63%	0.63	79%	0.786	S	S	*	*			trans	-123.2	177.7	-140.7	38.3	-22.7	0	0	0	115.4
496	L	34.4	Very low	30.8	Very low	154 Å²	154	136.7 Å²	136.7	81%	0.806	78%	0.784	S	S	*	*				165.8	129.8	128.8	-85.1	161.6	0	0	0	114.5
497	N	30.8	Very low	30.6	Very low	152 Å²	152	133.2 Å²	133.2	81%	0.813	78%	0.779	S	S	*	*			trans	57.6	136.4	151.1	-80	-1.8	0	0	0	120.7
498	S	31.6	Very low	30.8	Very low	92 Å²	92	132.9 Å²	132.9	64%	0.643	78%	0.784	S	S	*	*			cis	-166.1	136.4	18.6	-176.1	0	0	0	0	111.7
499	T	33.2	Very low	30.6	Very low	113 Å²	113	134.3 Å²	134.3	69%	0.693	78%	0.784	S	S	*	*			trans	60.1	97.3	141.8	55.5	0	0	0	0	123
500	N	31.3	Very low	30.3	Very low	158 Å²	158	132 Å²	132	85%	0.845	78%	0.782	S	S	*	*				166.9	153.6	111.7	-86.1	-22.2	0	0	0	112.3
501	P	37.1	Very low	30.3	Very low	120 Å²	120	132.9 Å²	132.9	78%	0.779	78%	0.779	S	S	*	*				-92.7	158.4	-123.8	35.4	-37.4	0	0	0	116.6
502	P	26.9	Very low	30	Very low	120 Å²	120	134.3 Å²	134.3	78%	0.779	78%	0.779	S	S	*	*			trans	-102.2	148.6	-176	37.9	-29.4	0	0	0	113.4
503	V	30.1	Very low	29.8	Very low	142 Å²	142	135.9 Å²	135.9	86%	0.861	78%	0.779	S	S	*	*			trans	-130.4	106.8	161.6	-177.5	0	0	0	0	110.8
504	Q	28	Very low	29.6	Very low	177 Å²	177	134.3 Å²	134.3	83%	0.827	78%	0.776	S	S	*	*			trans	3	122	159.3	-53.1	-165	-29.2	0	0	120.5
505	V	24.2	Very low	29.4	Very low	140 Å²	140	129.9 Å²	129.9	85%	0.848	77%	0.769	S	S	*	*			trans	-107.2	116.6	156.3	-172.7	0	0	0	0	107
506	S	28.3	Very low	29.1	Very low	104 Å²	104	130 Å²	130	73%	0.727	78%	0.778	S	S	*	*			trans	-104.5	117.6	169.7	-76.4	0	0	0	0	110
507	T	25.3	Very low	28.8	Very low	126 Å²	126	129.9 Å²	129.9	77%	0.773	78%	0.778	S	S	*	*			trans	-78.9	127.2	166.6	-62.8	0	0	0	0	109
508	V	28	Very low	28.7	Very low	136 Å²	136	128.5 Å²	128.5	82%	0.824	78%	0.777	S	S	*	*			trans	-122.2	125.6	165.3	-178.9	0	0	0	0	108.4
509	M	26.5	Very low	28.5	Very low	151 Å²	151	129 Å²	129	74%	0.744	77%	0.772	S	S	*	*			trans	-84.1	133.3	177.3	-66.2	-172.1	75.8	0	0	111.4
510	T	25.3	Very low	28.1	Very low	122 Å²	122	132.8 Å²	132.8	75%	0.748	78%	0.782	S	S	*	*			trans	53.8	153.6	142.7	55.1	0	0	0	0	119.8
511	P	27.5	Very low	27.8	Very low	117 Å²	117	135 Å²	135	76%	0.76	78%	0.78	S	S	*	*			cis	-142.6	178.8	28.5	37.5	-14.4	0	0	0	117.2
512	I	28.7	Very low	27.2	Very low	152 Å²	152	134.9 Å²	134.9	78%	0.779	78%	0.777	S	S	*	*			trans	-45.3	120.5	169.2	-59.8	149.6	0	0	0	112.6
513	N	28.9	Very low	27.1	Very low	140 Å²	140	136.4 Å²	136.4	75%	0.749	78%	0.777	S	S	*	*				175.7	129.2	127.6	-102.8	-18.9	0	0	0	112
514	T	27.5	Very low	27	Very low	121 Å²	121	136 Å²	136	74%	0.742	77%	0.769	S	S	*	*			trans	57.2	112.8	135.3	-27.9	0	0	0	0	120.3
515	A	27.6	Very low	27	Very low	93 Å²	93	136 Å²	136	77%	0.769	77%	0.767	S	S	*	*			trans	76.9	134.5	146.8	0	0	0	0	0	121
516	A	31.1	Very low	27.2	Very low	99 Å²	99	135.3 Å²	135.3	82%	0.818	77%	0.765	S	S	*	*			trans	77.4	118.3	157.5	0	0	0	0	0	119.9
517	N	27	Very low	27.4	Very low	153 Å²	153	136 Å²	136	82%	0.818	77%	0.77	S	S	*	*			trans	-58.7	156.1	164.2	-81	-27.6	0	0	0	111.3
518	P	28	Very low	27.7	Very low	123 Å²	123	136.5 Å²	136.5	80%	0.799	77%	0.773	S	S	*	*				-143.7	149.8	97.5	31.2	-12.7	0	0	0	115.3
519	L	27.9	Very low	27.9	Very low	101 Å²	101	137.8 Å²	137.8	53%	0.529	78%	0.775	S	S	.	*			trans	-64.6	141	173.8	-70.5	161.2	0	0	0	111.9
520	Q	25	Very low	28.3	Very low	193 Å²	193	138.3 Å²	138.3	90%	0.902	78%	0.779	S	S	*	*			trans	-91.1	134.6	167.8	-76.7	178	-17.3	0	0	110.2
521	Y	25.6	Very low	28.4	Very low	205 Å²	205	135.6 Å²	135.6	80%	0.804	78%	0.775	S	S	*	*			trans	-108.5	141.6	173.5	-61.6	-85.1	0	0	0	110.6
522	V	24.5	Very low	28.7	Very low	118 Å²	118	139.1 Å²	139.1	72%	0.715	78%	0.782	S	S	*	*			trans	-116.7	123.4	169.2	177.2	0	0	0	0	108.4	I524	V522-I524 HydrophobicContact CG1-CG1 4.48Å
523	L	24.6	Very low	28.7	Very low	151 Å²	151	137.6 Å²	137.6	79%	0.791	78%	0.78	S	S	*	*			trans	-95.3	122.9	-179.8	-169.8	81	0	0	0	109.9
524	I	27.5	Very low	28.7	Very low	135 Å²	135	136.4 Å²	136.4	69%	0.692	78%	0.777	S	S	*	*			trans	-118.8	121.4	169.6	-57	176.9	0	0	0	108.2	V522	V522-I524 HydrophobicContact CG1-CG1 4.48Å
525	K	27.5	Very low	28.9	Very low	176 Å²	176	140.1 Å²	140.1	77%	0.765	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-91.5	133.2	174.1	-68.6	-177.9	177.6	179.9	0	109.9
526	P	29.3	Very low	29	Very low	126 Å²	126	141.6 Å²	141.6	82%	0.818	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-84.8	126.8	169.9	31.3	-28	0	0	0	110.5
527	S	31.4	Very low	29	Very low	119 Å²	119	143.6 Å²	143.6	83%	0.832	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-96	120.2	167.7	49.8	0	0	0	0	110
528	T	32.2	Very low	29.2	Very low	135 Å²	135	143 Å²	143	83%	0.828	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-72.9	130.8	171.4	45	0	0	0	0	111.2
529	N	33.2	Very low	29.2	Very low	163 Å²	163	144.2 Å²	144.2	87%	0.872	77%	0.769	S	S	*	*			trans	-148	139	145.4	-134.2	-39.2	0	0	0	111.6
530	I	33.1	Very low	29.4	Very low	162 Å²	162	144.7 Å²	144.7	83%	0.831	78%	0.779	S	S	*	*			trans	-76.5	147.2	-169.7	-78.8	156.3	0	0	0	110.4
531	G	28.5	Very low	29.5	Very low	65 Å²	65	140.6 Å²	140.6	67%	0.67	77%	0.767	S	S	*	*			trans	-74.2	161.3	-170.1	0	0	0	0	0	115.9
532	Q	32.6	Very low	29.8	Very low	192 Å²	192	137.9 Å²	137.9	90%	0.897	77%	0.771	S	S	*	*			trans	-151.4	133.9	140.2	-109.5	175	19.2	0	0	110.4
533	T	28.8	Very low	30.1	Very low	120 Å²	120	140.8 Å²	140.8	74%	0.736	78%	0.777	S	S	*	*			trans	-25.1	138.3	165.2	39	0	0	0	0	119.4
534	V	30.7	Very low	30.3	Very low	114 Å²	114	139.3 Å²	139.3	69%	0.691	78%	0.777	S	S	*	*				101.3	126.1	125.7	170.3	0	0	0	0	119.8
535	Y	29.9	Very low	30.3	Very low	200 Å²	200	139.6 Å²	139.6	78%	0.784	79%	0.785	S	S	*	*			trans	76.7	114.5	160.2	-74.2	-56.4	0	0	0	122.4
536	N	31.3	Very low	30.2	Very low	123 Å²	123	136.9 Å²	136.9	66%	0.658	78%	0.777	S	S	*	*			trans	60.7	114.4	131.4	-69.2	-7.1	0	0	0	121.7
537	N	29.8	Very low	30	Very low	142 Å²	142	136.5 Å²	136.5	76%	0.759	78%	0.778	S	S	*	*			trans	72.2	133	132	-63.5	-14.2	0	0	0	120.2
538	V	32.5	Very low	29.7	Very low	141 Å²	141	140 Å²	140	86%	0.855	77%	0.774	S	S	*	*			trans	96	104.2	152.3	-163.4	0	0	0	0	117.2
539	M	27.6	Very low	29.5	Very low	147 Å²	147	140.4 Å²	140.4	72%	0.724	78%	0.776	S	S	*	*			trans	-59.2	154.9	155.7	-105.4	-166	87	0	0	110.7	T541	M539-T541 WeakPolarHBondContact CE-OG1 3.47Å
540	P	32.5	Very low	29.2	Very low	112 Å²	112	137.9 Å²	137.9	73%	0.727	77%	0.767	S	S	*	*				-157	158.9	61	36.7	-13.1	0	0	0	119.6
541	T	26.8	Very low	29	Very low	106 Å²	106	136.3 Å²	136.3	65%	0.65	77%	0.765	S	S	*	*			trans	33.6	115.2	133	-39.9	0	0	0	0	122.2	M539	M539-T541 WeakPolarHBondContact CE-OG1 3.47Å
542	V	32.3	Very low	29	Very low	149 Å²	149	138.9 Å²	138.9	90%	0.903	77%	0.77	S	S	*	*			trans	-150.5	143.8	140.4	-177.4	0	0	0	0	110.8
543	Q	29.5	Very low	28.6	Very low	179 Å²	179	135.3 Å²	135.3	84%	0.836	77%	0.765	S	S	*	*			trans	-68.5	163.9	-169.2	-72.7	-179.7	-47.3	0	0	118.1
544	P	28.7	Very low	28.7	Very low	120 Å²	120	137.4 Å²	137.4	78%	0.779	77%	0.77	S	S	*	*			trans	-95.5	154.4	-176.1	37.8	-32	0	0	0	114.4
545	T	28.4	Very low	28.5	Very low	141 Å²	141	137.7 Å²	137.7	87%	0.865	77%	0.772	S	S	*	*			trans	-109.3	130.3	170.2	-61.2	0	0	0	0	110.1
546	I	25.6	Very low	28.4	Very low	119 Å²	119	134.4 Å²	134.4	61%	0.61	78%	0.775	S	S	*	*			trans	-92.5	140.1	179.6	-61.5	167.3	0	0	0	109.7	Y548	I546-Y548 HydrophobicContact CG2-CD2 3.66Å; I546-Y548 HydrophobicContact CG2-CE1 4.33Å; I546-Y548 HydrophobicContact CG2-CE2 3.24Å; I546-Y548 HydrophobicContact CG2-CG 4.36Å
547	S	25.3	Very low	28.3	Very low	118 Å²	118	136.2 Å²	136.2	83%	0.825	78%	0.783	S	S	*	*			trans	-137.9	127	158.9	30.3	0	0	0	0	110
548	Y	24.7	Very low	28.2	Very low	192 Å²	192	138.2 Å²	138.2	75%	0.753	79%	0.788	S	S	*	*			trans	-97.4	145.6	178.9	-64.6	-85.2	0	0	0	110	I546	I546-Y548 HydrophobicContact CG2-CD2 3.66Å; I546-Y548 HydrophobicContact CG2-CE1 4.33Å; I546-Y548 HydrophobicContact CG2-CE2 3.24Å; I546-Y548 HydrophobicContact CG2-CG 4.36Å
549	T	27.2	Very low	28	Very low	143 Å²	143	138 Å²	138	88%	0.877	79%	0.787	S	S	*	*			trans	-144.7	138.6	156.9	-40.1	0	0	0	0	110
550	T	26.7	Very low	27.8	Very low	111 Å²	111	138.8 Å²	138.8	68%	0.681	79%	0.794	S	S	*	*			trans	-108.7	167.8	-157.9	46.1	0	0	0	0	113.4
551	T	28.9	Very low	27.7	Very low	129 Å²	129	138.8 Å²	138.8	79%	0.791	80%	0.797	S	S	*	*			trans	96.2	155.9	153	69.4	0	0	0	0	119.1
552	P	29.9	Very low	27.5	Very low	119 Å²	119	141.1 Å²	141.1	77%	0.773	80%	0.804	S	S	*	*				-132.5	-179.2	-56.4	37.3	-20.5	0	0	0	112.6
553	C	23.9	Very low	27.4	Very low	116 Å²	116	140 Å²	140	78%	0.784	80%	0.797	S	S	*	*			trans	-72.7	152.8	-171.4	66.1	0	0	0	0	116.1
554	I	30.1	Very low	27.2	Very low	165 Å²	165	140.1 Å²	140.1	85%	0.846	80%	0.798	S	S	*	*			trans	-139.3	130.3	154.5	-59.5	-179.1	0	0	0	107.6
555	T	26.9	Very low	27.1	Very low	120 Å²	120	142.9 Å²	142.9	74%	0.736	81%	0.805	S	S	*	*			trans	-77.6	145.3	176.4	43.5	0	0	0	0	111.5
556	P	28	Very low	27.2	Very low	130 Å²	130	141.6 Å²	141.6	84%	0.844	80%	0.802	S	S	*	*			trans	-105.8	122.6	163.9	32.2	-22	0	0	0	111.9
557	I	30.1	Very low	27.3	Very low	162 Å²	162	143.8 Å²	143.8	83%	0.831	81%	0.814	S	S	*	*			trans	-75.2	142.1	159.6	-69.5	165	0	0	0	107.9
558	Q	25.9	Very low	27.7	Very low	183 Å²	183	144 Å²	144	86%	0.855	81%	0.812	S	S	*	*			trans	-56.5	130.6	176.9	-80.5	177.5	-26.3	0	0	113
559	T	28.7	Very low	27.8	Very low	137 Å²	137	143.3 Å²	143.3	84%	0.84	82%	0.821	S	S	*	*			trans	-170.4	142.4	141.6	42.2	0	0	0	0	111
560	N	24.3	Very low	28.1	Very low	163 Å²	163	142.4 Å²	142.4	87%	0.872	82%	0.82	S	S	*	*			trans	-53.2	135.4	172.1	-65.5	-43	0	0	0	113.2
561	S	30.1	Very low	28.2	Very low	112 Å²	112	142.5 Å²	142.5	78%	0.783	83%	0.826	S	S	*	*			trans	179.8	143.1	143.3	29.2	0	0	0	0	112.9
562	I	23.1	Very low	28.5	Very low	155 Å²	155	143.4 Å²	143.4	80%	0.795	83%	0.831	S	S	*	*			trans	-75.4	132.9	-178.7	-66.5	161.3	0	0	0	110
563	V	29.9	Very low	28.3	Very low	125 Å²	125	141.1 Å²	141.1	76%	0.758	83%	0.829	S	S	*	*			trans	-136.9	124.4	165.2	-178.6	0	0	0	0	110.1
564	Q	25.1	Very low	28.9	Very low	182 Å²	182	142.6 Å²	142.6	85%	0.85	83%	0.834	S	S	*	*			trans	-79.1	147.2	171	-79.9	-174.2	-62.2	0	0	111.1
565	L	27.2	Very low	28.8	Very low	179 Å²	179	142.4 Å²	142.4	94%	0.937	84%	0.835	S	S	*	*			trans	-125.6	114	160.1	-83.1	162	0	0	0	109
566	S	30.1	Very low	29.1	Very low	114 Å²	114	139.9 Å²	139.9	80%	0.797	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-85.6	140.7	175.4	46.9	0	0	0	0	111.6
567	L	28.2	Very low	29.2	Very low	165 Å²	165	142 Å²	142	86%	0.864	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-75	146.6	168.8	-76.1	145.5	0	0	0	111.1
568	P	32.4	Very low	29.3	Very low	121 Å²	121	140.4 Å²	140.4	79%	0.786	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-90.4	124.6	173.9	32.6	-27.6	0	0	0	111.8
569	L	28.1	Very low	29.4	Very low	178 Å²	178	138.3 Å²	138.3	93%	0.932	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-81.2	136	156.9	-96.2	78.1	0	0	0	108.6
570	S	32	Very low	29.5	Very low	125 Å²	125	138.4 Å²	138.4	87%	0.874	81%	0.813	S	S	*	*			trans	-119.9	125.5	164.6	55.8	0	0	0	0	109.5
571	S	29.6	Very low	29.5	Very low	113 Å²	113	136.5 Å²	136.5	79%	0.79	81%	0.807	S	S	*	*			trans	-117.5	123	173.5	57	0	0	0	0	108.1
572	T	34.1	Very low	29.5	Very low	147 Å²	147	137.8 Å²	137.8	90%	0.902	81%	0.81	S	S	*	*			trans	-150	113.1	157.5	48.8	0	0	0	0	107.7
573	G	27.5	Very low	29.6	Very low	71 Å²	71	135.6 Å²	135.6	73%	0.732	81%	0.809	S	S	*	*			trans	-87.3	161.7	171.8	0	0	0	0	0	112
574	V	35.1	Very low	29.6	Very low	147 Å²	147	136.7 Å²	136.7	89%	0.891	82%	0.816	S	S	*	*			trans	-167.8	155.1	133.2	-114.3	0	0	0	0	110.1
575	D	29.3	Very low	29.6	Very low	161 Å²	161	134.7 Å²	134.7	86%	0.861	82%	0.816	S	S	*	*			trans	-57.6	163.6	-169.4	-54	-71.8	0	0	0	118
576	G	31.7	Very low	29.6	Very low	68 Å²	68	131.7 Å²	131.7	70%	0.701	81%	0.81	S	S	*	*			trans	141.6	83.6	149.4	0	0	0	0	0	117.7
577	Q	30.4	Very low	29.6	Very low	175 Å²	175	132.5 Å²	132.5	82%	0.818	81%	0.812	S	S	*	*			trans	30.9	138.1	137.4	-58.2	-174.8	6.6	0	0	122.6
578	N	31.8	Very low	29.6	Very low	128 Å²	128	129.4 Å²	129.4	68%	0.684	81%	0.811	S	S	*	*			trans	98.2	108.5	141	-66.4	-23.6	0	0	0	120.8
579	L	29	Very low	29.3	Very low	139 Å²	139	128.5 Å²	128.5	73%	0.728	81%	0.813	S	S	*	*				78.2	120.7	124.7	-94.2	75.9	0	0	0	121.6
580	I	30.7	Very low	29.2	Very low	139 Å²	139	125.4 Å²	125.4	71%	0.713	81%	0.806	S	S	*	*			trans	87.2	100.4	138.9	-56.3	167.5	0	0	0	118.6
581	T	24.4	Very low	28.9	Very low	122 Å²	122	126 Å²	126	75%	0.748	81%	0.805	S	S	*	*				32.6	116.8	125.9	-43.5	0	0	0	0	119.7
582	T	29.5	Very low	28.7	Very low	140 Å²	140	124.8 Å²	124.8	86%	0.859	80%	0.801	S	S	*	*				-171.6	146.5	117.4	23.5	0	0	0	0	111.5
583	S	25.1	Very low	28.3	Very low	108 Å²	108	123.3 Å²	123.3	76%	0.755	79%	0.792	S	S	*	*			trans	-67.2	139.5	-166.8	49.8	0	0	0	0	117.1
584	V	29.6	Very low	28.4	Very low	149 Å²	149	124.8 Å²	124.8	90%	0.903	79%	0.787	S	S	*	*			trans	-155.4	134.8	135.3	-145.6	0	0	0	0	110.7
585	T	25.6	Very low	28.1	Very low	140 Å²	140	125 Å²	125	86%	0.859	78%	0.783	S	S	*	*			trans	-78.7	136.9	-178	18.6	0	0	0	0	113.6
586	S	27.9	Very low	28.3	Very low	116 Å²	116	122.2 Å²	122.2	81%	0.811	77%	0.772	S	S	*	*			trans	-157.1	142.3	149.3	51.9	0	0	0	0	110.4
587	P	30.2	Very low	28.7	Very low	130 Å²	130	123.1 Å²	123.1	84%	0.844	76%	0.764	S	S	*	*			trans	-86.6	147.7	-163	34.1	-33.1	0	0	0	113.1
588	A	26.9	Very low	29.1	Very low	101 Å²	101	120.4 Å²	120.4	84%	0.835	76%	0.76	S	S	*	*			trans	-66.4	130.6	176.9	0	0	0	0	0	112.3	S590	A588-S590 PolarHBondContact O-N 3.31Å
589	A	27.1	Very low	29.6	Very low	101 Å²	101	116.3 Å²	116.3	84%	0.835	74%	0.735	S	S	*	*			trans	-72.9	114.7	163.8	0	0	0	0	0	109.1
590	S	26.9	Very low	29.9	Very low	113 Å²	113	112.6 Å²	112.6	79%	0.79	72%	0.719	S	S	*	*			trans	-75.5	121.3	170.7	44.7	0	0	0	0	110	A588 A592	A588-S590 PolarHBondContact O-N 3.31Å; S590-A592 PolarHBondContact O-N 2.94Å
591	V	25.3	Very low	30.5	Very low	139 Å²	139	108.3 Å²	108.3	84%	0.842	70%	0.697	S	S	*	*			trans	-71.8	110.6	164.7	175.4	0	0	0	0	107.1
592	A	25.1	Very low	31.1	Very low	86 Å²	86	110.9 Å²	110.9	71%	0.711	69%	0.693	S	S	*	*			trans	-88.4	109.2	173.9	0	0	0	0	0	109.8	S590 T594	S590-A592 PolarHBondContact O-N 2.94Å; A592-T594 PolarHBondContact O-N 3.43Å
593	T	25.9	Very low	31.7	Very low	117 Å²	117	108.4 Å²	108.4	72%	0.718	67%	0.674	S	S	*	*			trans	-66.3	109.3	166.5	-49.7	0	0	0	0	108.5	N595	T593-N595 PolarHBondContact O-N 3.3Å
594	T	28.8	Very low	32.4	Very low	102 Å²	102	105.7 Å²	105.7	63%	0.626	66%	0.655	S	S	*	*			trans	-77.9	109.4	176.2	51.6	0	0	0	0	110.2	A592 T596	A592-T594 PolarHBondContact O-N 3.43Å; T594-T596 PolarHBondContact O-N 2.96Å
595	N	28.9	Very low	32.7	Very low	151 Å²	151	101.7 Å²	101.7	81%	0.807	63%	0.628	S	S	*	*			trans	-71.4	105.9	165.6	-72.8	-16.5	0	0	0	108.6	T593 T597	T593-N595 PolarHBondContact O-N 3.3Å; N595-T597 PolarHBondContact O-N 3.43Å
596	T	33.6	Very low	33	Very low	103 Å²	103	103.1 Å²	103.1	63%	0.632	63%	0.631	S	S	*	*			trans	-77	107.1	174.3	-58.6	0	0	0	0	110.1	T594 V598	T594-T596 PolarHBondContact O-N 2.96Å; T596-V598 HydrophobicContact CG2-CG2 4.21Å
597	T	40.1	Very low	33.1	Very low	86 Å²	86	103.8 Å²	103.8	53%	0.528	62%	0.624	S	S	.	*	P	Polyproline II helix	trans	-75.4	119	166.4	13.5	0	0	0	0	109.8	N595	N595-T597 PolarHBondContact O-N 3.43Å
598	V	37.8	Very low	32.9	Very low	119 Å²	119	104.6 Å²	104.6	72%	0.721	62%	0.62	S	S	*	*	P	Polyproline II helix	trans	-98.4	122.2	177	179.4	0	0	0	0	109	T596	T596-V598 HydrophobicContact CG2-CG2 4.21Å
599	Y	42.4	Very low	32.9	Very low	42 Å²	42	105 Å²	105	17%	0.165	62%	0.615	C	S	.	*	P	Polyproline II helix	trans	-100.2	116.4	177.3	-62.5	-71.8	0	0	0	110.3	S61 P166 F167 V230 I601	S61-Y599 VanDerWaalsContact O-CD1 3.23Å; S61-Y599 WeakPolarHBondContact O-CD1 3.39Å; P166-Y599 HydrophobicContact CG-CE1 4.49Å; F167-Y599 AromaticContact CE1-CE2 3.97Å; F167-Y599 HydrophobicContact CE1-CE2 3.97Å; V230-Y599 HydrophobicContact CG1-CD2 3.63Å; V230-Y599 HydrophobicContact CG1-CE2 4.47Å; V230-Y599 HydrophobicContact CG1-CG 4.47Å; Y599-I601 PolarHBondContact O-N 3.11Å
600	P	36.8	Very low	32.8	Very low	61 Å²	61	106.8 Å²	106.8	40%	0.396	61%	0.61	S	S	.	*	P	Polyproline II helix	trans	-69.5	131.1	-179.3	24.9	-30.4	0	0	0	111.2	S62 L63	S62-P600 CarbonylContact C-O 3.35Å; S62-P600 WeakPolarHBondContact CA-O 3.45Å; S62-P600 WeakPolarHBondContact CB-O 3.49Å; L63-P600 PolarHBondContact N-O 3.28Å
601	I	41.9	Very low	32.8	Very low	48 Å²	48	109.3 Å²	109.3	25%	0.246	60%	0.603	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-89.3	124.7	-178.5	-59	172.5	0	0	0	110.6	L63 L65 V226 E227 Y599	L63-I601 HydrophobicContact CB-CG1 4.34Å; L63-I601 HydrophobicContact CD2-CG1 4.38Å; L63-I601 CarbonylContact O-C 3.56Å; L63-I601 VanDerWaalsContact O-CA 3.23Å; L63-I601 WeakPolarHBondContact O-CA 3.34Å; L65-I601 HydrophobicContact CB-CG2 4.36Å; L65-I601 HydrophobicContact CD1-CG2 3.39Å; L65-I601 HydrophobicContact CG-CG2 3.62Å; V226-I601 HydrophobicContact CB-CD1 3.95Å; V226-I601 HydrophobicContact CG1-CD1 3.54Å; V226-I601 HydrophobicContact CG1-CG1 4.36Å; E227-I601 HydrophobicContact CG-CD1 3.59Å; Y599-I601 PolarHBondContact O-N 3.11Å
602	R	38.5	Very low	32.8	Very low	177 Å²	177	109.8 Å²	109.8	67%	0.668	60%	0.6	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-110	129.7	173.2	-71	-71.3	-138	179.4	5.9	110	L63 T64 L65 S604	L63-R602 PolarHBondContact O-N 2.97Å; T64-R602 CarbonylContact C-O 3.57Å; T64-R602 VanDerWaalsContact CA-O 3.29Å; T64-R602 WeakPolarHBondContact CA-O 3.46Å; L65-R602 PolarHBondContact N-O 3.34Å; R602-S604 PolarHBondContact O-N 3.11Å
603	L	41.7	Very low	32.9	Very low	87 Å²	87	110.1 Å²	110.1	46%	0.455	60%	0.597	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-81.8	111.6	170.1	-73.4	157.5	0	0	0	108.8	L65 L219 N605	L65-L603 HydrophobicContact CB-CD2 3.98Å; L65-L603 HydrophobicContact CD1-CD2 4.46Å; L219-L603 HydrophobicContact CD1-CD2 3.89Å; L219-L603 HydrophobicContact CD2-CD1 3.9Å; L219-L603 HydrophobicContact CD2-CD2 4.18Å; L219-L603 HydrophobicContact CG-CD2 4.41Å; L603-N605 PolarHBondContact O-N 2.68Å
604	S	39.5	Very low	33	Very low	51 Å²	51	109.5 Å²	109.5	36%	0.357	60%	0.597	S	S	.	*			trans	-85.6	100.4	171.6	60.8	0	0	0	0	109.1	T64 L65 R602	T64-S604 WeakPolarHBondContact CG2-OG 3.44Å; L65-S604 PolarHBondContact O-N 2.97Å; L65-S604 VanDerWaalsContact O-N 3.1Å; L65-S604 PolarHBondContact O-OG 2.88Å; R602-S604 PolarHBondContact O-N 3.11Å
605	N	36.6	Very low	33.2	Very low	65 Å²	65	110.2 Å²	110.2	35%	0.348	60%	0.601	S	S	.	*	S	Bend	trans	-178.2	134.8	154.2	-90.5	-27.2	0	0	0	107.7	N126 L603 I607	N126-N605 PolarHBondContact O-ND2 3.35Å; L603-N605 PolarHBondContact O-N 2.68Å; N605-I607 VanDerWaalsContact C-N 3.33Å; N605-I607 PolarHBondContact O-N 3.47Å
606	N	30.8	Very low	33.1	Very low	171 Å²	171	109.8 Å²	109.8	91%	0.914	60%	0.599	S	S	*	*			trans	-45.2	89.6	177.6	-70.7	-8.5	0	0	0	112.5
607	I	31.2	Very low	33	Very low	129 Å²	129	113 Å²	113	66%	0.662	61%	0.613	S	S	*	*			trans	-98.7	92.7	159.5	-61.9	170.5	0	0	0	103.1	N605 P609	N605-I607 VanDerWaalsContact C-N 3.33Å; N605-I607 PolarHBondContact O-N 3.47Å; I607-P609 VanDerWaalsContact O-CD 3.3Å; I607-P609 WeakPolarHBondContact O-CD 3.49Å
608	L	25.8	Very low	32.4	Very low	147 Å²	147	112.7 Å²	112.7	77%	0.77	63%	0.626	S	S	*	*			trans	-55.2	118.6	159.3	-88.6	157.8	0	0	0	106.4	N610	L608-N610 PolarHBondContact O-N 2.72Å
609	P	26.3	Very low	31.9	Very low	111 Å²	111	115.7 Å²	115.7	72%	0.721	63%	0.629	S	S	*	*			trans	-83.7	65.5	178.3	35	-31.1	0	0	0	108.2	I607	I607-P609 VanDerWaalsContact O-CD 3.3Å; I607-P609 WeakPolarHBondContact O-CD 3.49Å
610	N	25.7	Very low	31.1	Very low	138 Å²	138	120 Å²	120	74%	0.738	66%	0.66	S	S	*	*			trans	-145.4	79.2	173.2	-84.7	-25.6	0	0	0	109.1	L608	L608-N610 PolarHBondContact O-N 2.72Å
611	Y	26.9	Very low	30.6	Very low	165 Å²	165	122.4 Å²	122.4	65%	0.647	68%	0.678	S	S	*	*			trans	-165	89.6	145.5	-123.2	-85.2	0	0	0	107.3	D33	D33-Y611 PolarHBondContact OD1-OH 3.31Å
612	I	25.3	Very low	29.9	Very low	149 Å²	149	126 Å²	126	76%	0.764	70%	0.697	S	S	*	*			trans	-98.4	107.6	161	-64.6	173.5	0	0	0	104.9
613	S	27.7	Very low	29.2	Very low	93 Å²	93	126.7 Å²	126.7	65%	0.65	71%	0.705	S	S	*	*			trans	-134.8	134	146.1	72.9	0	0	0	0	108.6
614	S	27.5	Very low	28.6	Very low	104 Å²	104	130.9 Å²	130.9	73%	0.727	72%	0.72	S	S	*	*			trans	-28.2	139.9	-179.9	55.1	0	0	0	0	114.8
615	V	31.5	Very low	28	Very low	118 Å²	118	135.6 Å²	135.6	72%	0.715	74%	0.739	S	S	*	*				-160.6	131.1	66.4	168.6	0	0	0	0	108.3
616	N	28	Very low	27.6	Very low	141 Å²	141	140.7 Å²	140.7	75%	0.754	76%	0.759	S	S	*	*			trans	33.1	99.5	160.7	-57.6	-19.5	0	0	0	118.3
617	D	31.7	Very low	27.5	Very low	172 Å²	172	137.7 Å²	137.7	92%	0.92	75%	0.75	S	S	*	*			trans	-175.3	148.1	131.7	-88.6	-27.8	0	0	0	110.9
618	G	27.7	Very low	27.5	Very low	78 Å²	78	137.2 Å²	137.2	80%	0.804	76%	0.755	S	S	*	*			trans	-53.7	127.7	-154.1	0	0	0	0	0	119
619	K	26.1	Very low	27.8	Very low	182 Å²	182	135.8 Å²	135.8	79%	0.791	76%	0.757	S	S	*	*			trans	-76.8	122.7	160.6	-87.3	177.8	174.1	176.2	0	110
620	V	26.9	Very low	28	Very low	133 Å²	133	137 Å²	137	81%	0.806	76%	0.763	S	S	*	*			trans	-105.8	115.2	152.9	179.6	0	0	0	0	107.2	L622	V620-L622 HydrophobicContact CG1-CD1 4.34Å; V620-L622 HydrophobicContact CG1-CG 4.47Å
621	S	25.7	Very low	28.2	Very low	112 Å²	112	138 Å²	138	78%	0.783	77%	0.768	S	S	*	*			trans	-117.9	107.4	172.4	-168.9	0	0	0	0	107.1
622	L	27	Very low	28.5	Very low	123 Å²	123	137.6 Å²	137.6	64%	0.644	78%	0.777	S	S	*	*			trans	-91.1	113.7	174.4	-89.7	152.1	0	0	0	109.1	V620 F624	V620-L622 HydrophobicContact CG1-CD1 4.34Å; V620-L622 HydrophobicContact CG1-CG 4.47Å; L622-F624 HydrophobicContact CB-CE2 3.99Å; L622-F624 HydrophobicContact CB-CZ 4.39Å; L622-F624 HydrophobicContact CD2-CE1 4.45Å; L622-F624 HydrophobicContact CD2-CE2 4.42Å; L622-F624 HydrophobicContact CD2-CZ 3.99Å
623	K	24.6	Very low	28.8	Very low	191 Å²	191	136.8 Å²	136.8	83%	0.83	78%	0.775	S	S	*	*			trans	-103.8	108.5	174.4	-157.3	-179	-169.6	-178.4	0	107.1
624	F	28.3	Very low	29.2	Very low	175 Å²	175	139.3 Å²	139.3	77%	0.768	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-89.1	122.2	177.1	-69.7	-79.2	0	0	0	110.6	L622	L622-F624 HydrophobicContact CB-CE2 3.99Å; L622-F624 HydrophobicContact CB-CZ 4.39Å; L622-F624 HydrophobicContact CD2-CE1 4.45Å; L622-F624 HydrophobicContact CD2-CE2 4.42Å; L622-F624 HydrophobicContact CD2-CZ 3.99Å
625	I	27.4	Very low	29.5	Very low	150 Å²	150	141.2 Å²	141.2	77%	0.769	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-91.5	119.6	174	-62.5	170.6	0	0	0	107.5	C627	I625-C627 PolarHBondContact O-N 3.37Å
626	K	27.6	Very low	29.5	Very low	173 Å²	173	142.5 Å²	142.5	75%	0.752	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-73.8	116.6	170.3	-170.9	176.2	-176.9	178	0	108
627	C	28.4	Very low	29.8	Very low	108 Å²	108	143.1 Å²	143.1	73%	0.73	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-80.7	138.3	166.3	-73.9	0	0	0	0	109.3	I625	I625-C627 PolarHBondContact O-N 3.37Å
628	P	32.2	Very low	29.7	Very low	118 Å²	118	140.2 Å²	140.2	77%	0.766	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-78.2	140.2	-173.9	25.9	-21.9	0	0	0	111.8	T630	P628-T630 PolarHBondContact O-N 2.98Å
629	S	30.5	Very low	29.9	Very low	118 Å²	118	143.4 Å²	143.4	83%	0.825	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-61.5	116.9	172.8	-44.7	0	0	0	0	110.3	N631	S629-N631 PolarHBondContact O-N 3.28Å
630	T	32.5	Very low	30.1	Very low	137 Å²	137	140.2 Å²	140.2	84%	0.84	78%	0.779	S	S	*	*			trans	-83.1	107.4	167.3	49.8	0	0	0	0	109.1	P628 N632	P628-T630 PolarHBondContact O-N 2.98Å; T630-N632 PolarHBondContact O-N 3.07Å
631	N	28	Very low	30.2	Very low	158 Å²	158	141.1 Å²	141.1	85%	0.845	78%	0.777	S	S	*	*			trans	-59.5	115.6	154.8	-86.7	-20.1	0	0	0	108.2	S629	S629-N631 PolarHBondContact O-N 3.28Å
632	N	33.2	Very low	30.4	Very low	156 Å²	156	143.4 Å²	143.4	83%	0.834	78%	0.779	S	S	*	*			trans	-164.4	144.5	136.5	-122.7	-13.8	0	0	0	112.5	T630	T630-N632 PolarHBondContact O-N 3.07Å
633	D	33.5	Very low	30.5	Very low	133 Å²	133	144.6 Å²	144.6	71%	0.711	79%	0.785	S	S	*	*			trans	-60.7	155.9	-174.9	-62.6	-56.8	0	0	0	114.7
634	N	34	Very low	30.5	Very low	146 Å²	146	144.1 Å²	144.1	78%	0.781	78%	0.783	S	S	*	*			trans	80.3	129.7	150.4	-63	-37	0	0	0	120.2
635	N	34	Very low	30.6	Very low	143 Å²	143	144.1 Å²	144.1	77%	0.765	79%	0.789	S	S	*	*			trans	81.5	104.4	155.3	-71.5	-23.7	0	0	0	119.4
636	N	32.1	Very low	30.7	Very low	145 Å²	145	149.5 Å²	149.5	78%	0.775	81%	0.811	S	S	*	*				38.1	88	124.6	-66.3	-13.4	0	0	0	117
637	N	34	Very low	30.8	Very low	154 Å²	154	148.3 Å²	148.3	82%	0.824	81%	0.814	S	S	*	*				177.4	121.5	121.1	-96.6	-19.5	0	0	0	109.8
638	S	30.7	Very low	30.9	Very low	111 Å²	111	150.4 Å²	150.4	78%	0.776	82%	0.819	S	S	*	*			trans	-70.1	120.5	173.7	31.7	0	0	0	0	111.3
639	N	30.7	Very low	30.9	Very low	145 Å²	145	152.2 Å²	152.2	78%	0.775	82%	0.822	S	S	*	*			trans	-129.2	121.9	161.6	-81.3	-35.8	0	0	0	108.9
640	P	31.2	Very low	30.9	Very low	116 Å²	116	154.2 Å²	154.2	75%	0.753	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-80.1	125.3	174.7	30.7	-29.7	0	0	0	110.4
641	I	28.3	Very low	30.8	Very low	152 Å²	152	155.3 Å²	155.3	78%	0.779	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-88.6	116.5	173.5	-62.9	174.4	0	0	0	108.7	I643	I641-I643 HydrophobicContact CG2-CD1 4.47Å; I641-I643 HydrophobicContact CG2-CG1 4Å
642	I	29.4	Very low	31	Very low	160 Å²	160	155.1 Å²	155.1	82%	0.821	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-88	121.6	171.3	-63.1	170.4	0	0	0	108
643	I	30.6	Very low	30.8	Very low	147 Å²	147	155.1 Å²	155.1	75%	0.754	82%	0.818	S	S	*	*			trans	-111.3	122.8	170	-56.7	179.7	0	0	0	109.4	I641	I641-I643 HydrophobicContact CG2-CD1 4.47Å; I641-I643 HydrophobicContact CG2-CG1 4Å
644	K	24.5	Very low	30.6	Very low	182 Å²	182	156.8 Å²	156.8	79%	0.791	83%	0.826	S	S	*	*			trans	-85.5	122.5	-179.5	-159.2	179.6	-172.3	-179	0	108.4
645	L	29.2	Very low	30.3	Very low	174 Å²	174	157.7 Å²	157.7	91%	0.911	83%	0.829	S	S	*	*			trans	-81.8	131.7	170.6	-81.2	158.3	0	0	0	109.4
646	Q	29.3	Very low	30	Very low	263 Å²	263	159 Å²	159	100%	1.229	84%	0.835	S	S	*	*			trans	-88.2	0	-179.9	-170.2	176.5	-12.6	0	0	111.3

Retrieved 646 of 646 residues in 98.3 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).