A0A096NY55_PAPAN Loading...

Zinc finger protein 334

May be involved in transcriptional regulation.

AlphaFold DB , UniProt , Accession A0A096NY55, Species PAPAN (Papio anubis, Olive baboon), Gene ZNF334, Length 746 aa.

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(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	42.7	Very low	30	Very low	231 Å²	231	145.7 Å²	145.7	100%	1.138	82%	0.82	S	S	*	*				0	136.9	0	-55	-44.8	-179.4	0	0	107.6
2	P	39.3	Very low	29.7	Very low	130 Å²	130	147.8 Å²	147.8	84%	0.844	82%	0.818	S	S	*	*			cis	-83.3	178.9	19.5	34.6	-38.3	0	0	0	115.3
3	G	26.4	Very low	29.3	Very low	64 Å²	64	147.9 Å²	147.9	66%	0.66	82%	0.815	S	S	*	*			trans	-91.8	-178.9	166.5	0	0	0	0	0	112.9
4	P	40.6	Very low	29.1	Very low	125 Å²	125	148.6 Å²	148.6	81%	0.812	81%	0.81	S	S	*	*			trans	-93.1	150.4	-157.5	34.7	-36.1	0	0	0	115.7
5	A	25.9	Very low	28.7	Very low	90 Å²	90	145.5 Å²	145.5	74%	0.744	81%	0.812	S	S	*	*			trans	-86	136.3	157.9	0	0	0	0	0	110	T7	A5-T7 PolarHBondContact O-N 3.37Å
6	V	27.8	Very low	28.6	Very low	119 Å²	119	147.9 Å²	147.9	72%	0.721	81%	0.811	S	S	*	*			trans	-86	103.4	-178.6	-179.9	0	0	0	0	110.5
7	T	25.2	Very low	28.4	Very low	113 Å²	113	153.4 Å²	153.4	69%	0.693	82%	0.817	S	S	*	*			trans	-99.8	113.9	170.5	54.5	0	0	0	0	110.6	A5 T9	A5-T7 PolarHBondContact O-N 3.37Å; T7-T9 PolarHBondContact O-N 3.15Å; T7-T9 VanDerWaalsContact O-N 3.09Å
8	W	24.8	Very low	28.2	Very low	240 Å²	240	152.2 Å²	152.2	91%	0.909	82%	0.816	S	S	*	*			trans	-76.6	94.9	174.9	-76.9	100.3	0	0	0	111.7
9	T	27.6	Very low	28.1	Very low	120 Å²	120	152.5 Å²	152.5	74%	0.736	81%	0.811	S	S	*	*			trans	-83.2	141	170.8	51	0	0	0	0	111.6	T7	T7-T9 PolarHBondContact O-N 3.15Å; T7-T9 VanDerWaalsContact O-N 3.09Å
10	W	22.7	Very low	28.1	Very low	252 Å²	252	151 Å²	151	96%	0.955	81%	0.811	S	S	*	*			trans	-123.8	103.2	177.4	-137.7	77.8	0	0	0	110.2
11	C	27.1	Very low	28	Very low	119 Å²	119	151.4 Å²	151.4	80%	0.804	81%	0.808	S	S	*	*			trans	-148.3	122.1	177.1	-102.2	0	0	0	0	113.2
12	E	26.6	Very low	27.5	Very low	171 Å²	171	145.9 Å²	145.9	80%	0.799	79%	0.789	S	S	*	*			trans	50.2	134.6	144.3	-53.6	-156.3	128.7	0	0	123.5
13	L	24.5	Very low	26.9	Very low	149 Å²	149	147.9 Å²	147.9	78%	0.78	79%	0.79	S	S	*	*			trans	136.9	141.4	137.9	-73	171.2	0	0	0	111.2
14	Q	25.6	Very low	26.8	Very low	158 Å²	158	148.2 Å²	148.2	74%	0.738	79%	0.794	S	S	*	*			cis	-162.7	139.1	-26.5	-156.2	-172.2	70.6	0	0	108.3
15	A	24.2	Very low	26.3	Very low	102 Å²	102	154.5 Å²	154.5	84%	0.843	80%	0.802	S	S	*	*			trans	-136.4	105.8	177.4	0	0	0	0	0	112.9
16	K	26.5	Very low	26.2	Very low	183 Å²	183	155.2 Å²	155.2	80%	0.796	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-54.7	134.9	-172.3	-64.5	160.2	180	171.9	0	114.1
17	R	25.2	Very low	26	Very low	241 Å²	241	153.6 Å²	153.6	91%	0.909	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-76.5	137.1	155.2	-67.5	-177.8	-174.2	161.4	4.3	109.1
18	V	25	Very low	26	Very low	132 Å²	132	152 Å²	152	80%	0.8	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-103.7	128.9	169.4	177.5	0	0	0	0	109.3
19	H	25.8	Very low	26.1	Very low	158 Å²	158	147.3 Å²	147.3	73%	0.731	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-87.4	138.5	169.8	-82.8	-100.3	0	0	0	110.8
20	P	27.6	Very low	26	Very low	123 Å²	123	149.9 Å²	149.9	80%	0.799	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-91.6	116.1	150.9	-5.1	24.6	0	0	0	109.6
21	Q	26	Very low	26.2	Very low	160 Å²	160	147 Å²	147	75%	0.748	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-95.1	161.5	159.7	-80.8	-75.4	11.9	0	0	108.7
22	P	33.9	Very low	26.1	Very low	114 Å²	114	145.9 Å²	145.9	74%	0.74	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-78.3	150.5	-163	31	-36.7	0	0	0	114
23	I	26.8	Very low	26.1	Very low	172 Å²	172	146.3 Å²	146.3	88%	0.882	81%	0.812	S	S	*	*			trans	-106.6	147.8	164.6	-64.3	178.8	0	0	0	108.6
24	G	24.3	Very low	26.1	Very low	72 Å²	72	142.3 Å²	142.3	74%	0.742	81%	0.807	S	S	*	*			trans	-82.3	-162.6	-163.4	0	0	0	0	0	117.1
25	R	28.7	Very low	26.3	Very low	256 Å²	256	146.4 Å²	146.4	97%	0.966	82%	0.816	S	S	*	*			trans	-70.8	138.5	-171.9	-56.7	174.3	-177.1	175.9	0.7	112.6
26	A	24.3	Very low	26.3	Very low	105 Å²	105	153.6 Å²	153.6	87%	0.868	82%	0.821	S	S	*	*			trans	-131.1	138.2	140.2	0	0	0	0	0	107.8
27	G	23.6	Very low	26.3	Very low	85 Å²	85	154.2 Å²	154.2	88%	0.876	82%	0.818	S	S	*	*			trans	-120	138.9	175.2	0	0	0	0	0	109.6
28	G	24.7	Very low	26.5	Very low	79 Å²	79	149.7 Å²	149.7	81%	0.814	81%	0.807	S	S	*	*			trans	-166.6	140.5	178.9	0	0	0	0	0	109.1
29	E	27.3	Very low	26.5	Very low	142 Å²	142	154.7 Å²	154.7	66%	0.664	81%	0.812	S	S	*	*			trans	-89.3	154.2	-173.9	-60	-170.1	78	0	0	112.6	R31	E29-R31 IonicContact OE1-CZ 3.9Å; E29-R31 IonicContact OE1-NE 3.94Å; E29-R31 PolarHBondContact OE1-NE 3.39Å; E29-R31 IonicContact OE1-NH2 2.79Å; E29-R31 PolarHBondContact OE1-NH2 3.34Å; E29-R31 IonicContact OE2-NH2 2.96Å
30	L	25.7	Very low	26.5	Very low	174 Å²	174	158.6 Å²	158.6	91%	0.911	82%	0.821	S	S	*	*				-152.5	144.9	123.2	-109.4	168.6	0	0	0	110
31	R	26.7	Very low	26.3	Very low	193 Å²	193	155.8 Å²	155.8	73%	0.728	81%	0.813	S	S	*	*			trans	-118.3	167.1	-178.5	-53.1	-177.7	-157	-171.7	9.6	109.6	E29	E29-R31 IonicContact OE1-CZ 3.9Å; E29-R31 IonicContact OE1-NE 3.94Å; E29-R31 PolarHBondContact OE1-NE 3.39Å; E29-R31 IonicContact OE1-NH2 2.79Å; E29-R31 PolarHBondContact OE1-NH2 3.34Å; E29-R31 IonicContact OE2-NH2 2.96Å
32	A	25.1	Very low	26.5	Very low	94 Å²	94	159.9 Å²	159.9	78%	0.777	82%	0.822	S	S	*	*			trans	69	154.9	-175.8	0	0	0	0	0	113.2
33	L	26.9	Very low	26.6	Very low	180 Å²	180	158.3 Å²	158.3	94%	0.942	82%	0.818	S	S	*	*			cis	-111.3	160	10.5	-72.4	159.2	0	0	0	113.4
34	G	25.3	Very low	26.9	Very low	65 Å²	65	159 Å²	159	67%	0.67	82%	0.818	S	S	*	*			trans	-123.8	150.6	174.7	0	0	0	0	0	113
35	R	29.6	Very low	27.6	Very low	245 Å²	245	161 Å²	161	93%	0.925	81%	0.811	S	S	*	*			trans	67.6	103.8	170.4	-57.2	-176.2	-73.4	-153.5	-2.2	117.4
36	R	24.1	Very low	28.4	Very low	252 Å²	252	152 Å²	152	95%	0.951	79%	0.788	S	S	*	*				-146.4	-169.9	110.9	-137.1	164.1	-77.7	-146.5	2.5	111.6
37	R	25.7	Very low	29.3	Very low	196 Å²	196	151.6 Å²	151.6	74%	0.74	78%	0.778	S	S	*	*			trans	-142.2	144.1	-141	-179.1	-179.2	172.3	-167.8	-11.9	111.7
38	E	29	Very low	30.1	Very low	146 Å²	146	150.7 Å²	150.7	68%	0.682	76%	0.763	S	S	*	*			trans	69.1	157.9	159.9	-84	154.7	-160.7	0	0	121
39	R	25.4	Very low	31	Very low	238 Å²	238	151.1 Å²	151.1	90%	0.898	75%	0.746	S	S	*	*			trans	72.3	101.5	157.5	-151.7	177	-158.3	166.5	4.3	118.5
40	W	25.3	Very low	32	Very low	240 Å²	240	148.7 Å²	148.7	91%	0.909	74%	0.737	S	S	*	*			trans	-125.9	126.6	154.7	-84.6	88.1	0	0	0	110.6
41	G	24.7	Very low	33	Very low	63 Å²	63	143.8 Å²	143.8	65%	0.649	72%	0.717	S	S	*	*			trans	-148.4	133.7	166.1	0	0	0	0	0	108.7
42	R	29.5	Very low	34.1	Very low	247 Å²	247	138.4 Å²	138.4	93%	0.932	71%	0.706	S	S	*	*	S	Bend	trans	51.1	118.2	178.1	-60.8	-173.5	-162.4	-121.6	2.6	117.9
43	A	36.1	Very low	35.1	Very low	80 Å²	80	138.7 Å²	138.7	66%	0.661	69%	0.694	S	S	*	*			trans	66.4	152.3	158.5	0	0	0	0	0	115.9
44	E	33.3	Very low	36.2	Very low	186 Å²	186	134.6 Å²	134.6	87%	0.869	67%	0.673	S	S	*	*			cis	-124.5	172	8.3	-69.2	-180	148.4	0	0	112.5
45	L	38.9	Very low	37.3	Very low	114 Å²	114	133.9 Å²	133.9	60%	0.597	66%	0.66	S	S	*	*			trans	-91.2	123.7	168	-72.2	171.8	0	0	0	109.5	L49	L45-L49 HydrophobicContact CD2-CD1 4.28Å
46	S	45.4	Very low	38	Very low	69 Å²	69	126.1 Å²	126.1	48%	0.483	64%	0.637	S	S	.	*			trans	-64.8	147.5	179.5	61.3	0	0	0	0	112.1	A48 L49 L50	S46-A48 PolarHBondContact O-N 2.96Å; S46-A48 VanDerWaalsContact O-N 3.11Å; S46-L49 WeakPolarHBondContact O-CB 3.44Å; S46-L49 PolarHBondContact O-N 3.14Å; S46-L50 PolarHBondContact O-N 2.94Å
47	S	43.5	Very low	38.8	Very low	95 Å²	95	116.6 Å²	116.6	66%	0.664	61%	0.609	S	S	*	*	H	α-helix	trans	-48	-41.9	179.1	175.9	0	0	0	0	112.9	L49 L50 S51	S47-L49 PolarHBondContact O-N 3.2Å; S47-L50 WeakPolarHBondContact O-CB 3.33Å; S47-L50 PolarHBondContact O-N 3.26Å; S47-L50 VanDerWaalsContact O-N 3.11Å; S47-S51 PolarHBondContact O-N 2.79Å; S47-S51 PolarHBondContact O-OG 3.35Å
48	A	40.3	Very low	39.6	Very low	67 Å²	67	113.2 Å²	113.2	55%	0.554	60%	0.601	S	S	*	*	H	α-helix	trans	-60	-37.5	176.7	0	0	0	0	0	114.2	S46 T52	S46-A48 PolarHBondContact O-N 2.96Å; S46-A48 VanDerWaalsContact O-N 3.11Å; A48-T52 PolarHBondContact O-N 2.82Å; A48-T52 VanDerWaalsContact O-N 3.11Å; A48-T52 PolarHBondContact O-OG1 3.37Å
49	L	43.9	Very low	40.2	Very low	88 Å²	88	112 Å²	112	46%	0.461	60%	0.595	S	S	.	*	H	α-helix	trans	-69.4	-38.1	174.7	-85	165.8	0	0	0	111.4	L45 S46 S47 T52 L53	L45-L49 HydrophobicContact CD2-CD1 4.28Å; S46-L49 WeakPolarHBondContact O-CB 3.44Å; S46-L49 PolarHBondContact O-N 3.14Å; S47-L49 PolarHBondContact O-N 3.2Å; L49-T52 PolarHBondContact O-N 2.93Å; L49-L53 WeakPolarHBondContact O-CB 3.42Å; L49-L53 VanDerWaalsContact O-CG 3.26Å; L49-L53 WeakPolarHBondContact O-CG 3.38Å; L49-L53 PolarHBondContact O-N 2.81Å
50	L	46.8	Very low	40.8	Very low	91 Å²	91	105.6 Å²	105.6	48%	0.476	58%	0.579	S	S	.	*	H	α-helix	trans	-64.2	-44.7	175.7	-109.1	159.6	0	0	0	111.8	S46 S47 T52 L53 L54	S46-L50 PolarHBondContact O-N 2.94Å; S47-L50 WeakPolarHBondContact O-CB 3.33Å; S47-L50 PolarHBondContact O-N 3.26Å; S47-L50 VanDerWaalsContact O-N 3.11Å; L50-T52 PolarHBondContact O-N 3.45Å; L50-L53 PolarHBondContact O-N 3.3Å; L50-L54 WeakPolarHBondContact O-CB 3.36Å; L50-L54 PolarHBondContact O-N 3.11Å
51	S	48.2	Very low	41.3	Very low	71 Å²	71	99.5 Å²	99.5	50%	0.497	56%	0.564	S	S	.	*	H	α-helix	trans	-59.8	-44.9	174	-59.9	0	0	0	0	112.4	S47 L54 A55	S47-S51 PolarHBondContact O-N 2.79Å; S47-S51 PolarHBondContact O-OG 3.35Å; S51-L54 PolarHBondContact O-N 3.15Å; S51-A55 PolarHBondContact O-N 2.8Å
52	T	50	Low	41.8	Very low	80 Å²	80	104 Å²	104	49%	0.491	57%	0.566	S	S	.	*	H	α-helix	trans	-66.2	-38.2	177.9	-55.2	0	0	0	0	112	A48 L49 L50 A55 L56	A48-T52 PolarHBondContact O-N 2.82Å; A48-T52 VanDerWaalsContact O-N 3.11Å; A48-T52 PolarHBondContact O-OG1 3.37Å; L49-T52 PolarHBondContact O-N 2.93Å; L50-T52 PolarHBondContact O-N 3.45Å; T52-A55 PolarHBondContact O-N 3.37Å; T52-L56 HydrophobicContact CG2-CD1 4.12Å; T52-L56 WeakPolarHBondContact O-CB 3.29Å; T52-L56 VanDerWaalsContact O-CG 3.3Å; T52-L56 WeakPolarHBondContact O-CG 3.21Å; T52-L56 PolarHBondContact O-N 2.92Å
53	L	45	Very low	42	Very low	99 Å²	99	99.5 Å²	99.5	52%	0.518	56%	0.557	S	S	.	*	H	α-helix	trans	-70.3	-32.4	176	-72.9	167.8	0	0	0	112.8	L49 L50 S57	L49-L53 WeakPolarHBondContact O-CB 3.42Å; L49-L53 VanDerWaalsContact O-CG 3.26Å; L49-L53 WeakPolarHBondContact O-CG 3.38Å; L49-L53 PolarHBondContact O-N 2.81Å; L50-L53 PolarHBondContact O-N 3.3Å; L53-S57 WeakPolarHBondContact O-CB 3.46Å; L53-S57 PolarHBondContact O-N 2.99Å
54	L	49.6	Very low	41.9	Very low	95 Å²	95	101.3 Å²	101.3	50%	0.497	56%	0.555	S	S	.	*	H	α-helix	trans	-69.8	-41.4	171.9	-86.3	160.3	0	0	0	112.3	L50 S51 S57 Q58	L50-L54 WeakPolarHBondContact O-CB 3.36Å; L50-L54 PolarHBondContact O-N 3.11Å; S51-L54 PolarHBondContact O-N 3.15Å; L54-S57 PolarHBondContact O-N 2.76Å; L54-S57 PolarHBondContact O-OG 2.78Å; L54-S57 VanDerWaalsContact O-OG 3.08Å; L54-Q58 WeakPolarHBondContact O-CB 3.25Å; L54-Q58 WeakPolarHBondContact O-CG 3.33Å; L54-Q58 PolarHBondContact O-N 3.03Å
55	A	50.2	Low	41.9	Very low	49 Å²	49	101.3 Å²	101.3	41%	0.405	55%	0.552	S	S	.	*	H	α-helix	trans	-60.3	-49.2	173.1	0	0	0	0	0	111.2	S51 T52 S57 Q58 E59	S51-A55 PolarHBondContact O-N 2.8Å; T52-A55 PolarHBondContact O-N 3.37Å; A55-S57 VanDerWaalsContact C-N 3.31Å; A55-S57 PolarHBondContact O-N 3.22Å; A55-Q58 PolarHBondContact O-N 2.99Å; A55-E59 PolarHBondContact O-N 3.35Å
56	L	43	Very low	41.6	Very low	83 Å²	83	104.9 Å²	104.9	44%	0.435	56%	0.564	S	S	.	*	H	α-helix	trans	-64.3	-31.7	178	-71	169.3	0	0	0	113	T52 N60	T52-L56 HydrophobicContact CG2-CD1 4.12Å; T52-L56 WeakPolarHBondContact O-CB 3.29Å; T52-L56 VanDerWaalsContact O-CG 3.3Å; T52-L56 WeakPolarHBondContact O-CG 3.21Å; T52-L56 PolarHBondContact O-N 2.92Å; L56-N60 PolarHBondContact O-N 3.2Å; L56-N60 VanDerWaalsContact O-N 3.1Å; L56-N60 PolarHBondContact O-ND2 3.19Å
57	S	41.9	Very low	41.2	Very low	52 Å²	52	109.7 Å²	109.7	36%	0.364	58%	0.578	S	S	.	*	H	α-helix	trans	-74	-37.2	174.1	79	0	0	0	0	112.1	L53 L54 A55 N60 L61	L53-S57 WeakPolarHBondContact O-CB 3.46Å; L53-S57 PolarHBondContact O-N 2.99Å; L54-S57 PolarHBondContact O-N 2.76Å; L54-S57 PolarHBondContact O-OG 2.78Å; L54-S57 VanDerWaalsContact O-OG 3.08Å; A55-S57 VanDerWaalsContact C-N 3.31Å; A55-S57 PolarHBondContact O-N 3.22Å; S57-N60 PolarHBondContact O-N 3.2Å; S57-L61 WeakPolarHBondContact O-CB 3.48Å; S57-L61 VanDerWaalsContact O-CG 3.27Å; S57-L61 WeakPolarHBondContact O-CG 3.23Å; S57-L61 PolarHBondContact O-N 3.31Å
58	Q	42.5	Very low	40.8	Very low	125 Å²	125	115.8 Å²	115.8	58%	0.584	59%	0.587	S	S	*	*	H	α-helix	trans	-66.9	-35	173.6	-74.4	-176.8	-14.1	0	0	112.8	L54 A55 L61 K62	L54-Q58 WeakPolarHBondContact O-CB 3.25Å; L54-Q58 WeakPolarHBondContact O-CG 3.33Å; L54-Q58 PolarHBondContact O-N 3.03Å; A55-Q58 PolarHBondContact O-N 2.99Å; Q58-L61 PolarHBondContact O-N 3.03Å; Q58-K62 WeakPolarHBondContact O-CG 3.15Å; Q58-K62 PolarHBondContact O-N 2.92Å
59	E	41.3	Very low	41	Very low	120 Å²	120	116.5 Å²	116.5	56%	0.561	59%	0.588	S	S	*	*	H	α-helix	trans	-67.2	-43.5	171.3	-72.3	-172.8	144.9	0	0	112	A55 L61 K62 M63	A55-E59 PolarHBondContact O-N 3.35Å; E59-L61 VanDerWaalsContact C-N 3.3Å; E59-L61 PolarHBondContact O-N 3.05Å; E59-K62 PolarHBondContact O-N 2.82Å; E59-K62 VanDerWaalsContact O-N 3.16Å; E59-M63 WeakPolarHBondContact O-CG 3.5Å; E59-M63 PolarHBondContact O-N 3.41Å
60	N	37.6	Very low	41.4	Very low	103 Å²	103	116 Å²	116	55%	0.551	59%	0.588	S	S	*	*	H	α-helix	trans	-63.1	-35.3	173.7	-83.2	-84.6	0	0	0	112.4	L56 S57 M63 N64	L56-N60 PolarHBondContact O-N 3.2Å; L56-N60 VanDerWaalsContact O-N 3.1Å; L56-N60 PolarHBondContact O-ND2 3.19Å; S57-N60 PolarHBondContact O-N 3.2Å; N60-M63 PolarHBondContact O-N 3.09Å; N60-N64 WeakPolarHBondContact O-CB 3.06Å; N60-N64 PolarHBondContact O-N 3.13Å
61	L	36.2	Very low	42.1	Very low	113 Å²	113	113.6 Å²	113.6	59%	0.592	58%	0.579	S	S	*	*	H	α-helix	trans	-71.4	-28.6	173.9	-74.5	166.2	0	0	0	113.2	S57 Q58 E59 K65	S57-L61 WeakPolarHBondContact O-CB 3.48Å; S57-L61 VanDerWaalsContact O-CG 3.27Å; S57-L61 WeakPolarHBondContact O-CG 3.23Å; S57-L61 PolarHBondContact O-N 3.31Å; Q58-L61 PolarHBondContact O-N 3.03Å; E59-L61 VanDerWaalsContact C-N 3.3Å; E59-L61 PolarHBondContact O-N 3.05Å; L61-K65 PolarHBondContact O-N 3.05Å
62	K	34.9	Very low	42.9	Very low	158 Å²	158	111.1 Å²	111.1	69%	0.687	56%	0.559	S	S	*	*	H	α-helix	trans	-71.1	-43.3	168.7	-78.7	179.3	177.3	178	0	111.6	Q58 E59 N64 K65	Q58-K62 WeakPolarHBondContact O-CG 3.15Å; Q58-K62 PolarHBondContact O-N 2.92Å; E59-K62 PolarHBondContact O-N 2.82Å; E59-K62 VanDerWaalsContact O-N 3.16Å; K62-N64 PolarHBondContact O-N 2.99Å; K62-K65 WeakPolarHBondContact O-CB 3.27Å; K62-K65 PolarHBondContact O-N 3.19Å; K62-K65 VanDerWaalsContact O-N 3.09Å
63	M	32.6	Very low	43.5	Very low	152 Å²	152	114.8 Å²	114.8	75%	0.749	57%	0.571	S	S	*	*	H	α-helix	trans	-63.2	-40.8	176.9	-70.6	-61.8	-67.4	0	0	112.4	E59 N60 K65 F66	E59-M63 WeakPolarHBondContact O-CG 3.5Å; E59-M63 PolarHBondContact O-N 3.41Å; N60-M63 PolarHBondContact O-N 3.09Å; M63-K65 PolarHBondContact O-N 3.39Å; M63-F66 PolarHBondContact O-N 3.14Å
64	N	35.1	Very low	44.5	Very low	118 Å²	118	114.9 Å²	114.9	63%	0.631	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69	-8.1	174.1	-88.9	-27.8	0	0	0	114.5	N60 K62	N60-N64 WeakPolarHBondContact O-CB 3.06Å; N60-N64 PolarHBondContact O-N 3.13Å; K62-N64 PolarHBondContact O-N 2.99Å
65	K	33.9	Very low	45.2	Very low	185 Å²	185	113.6 Å²	113.6	80%	0.804	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.7	-2.7	175.9	-101.1	-172.5	174.2	-173	0	114.9	L61 K62 M63	L61-K65 PolarHBondContact O-N 3.05Å; K62-K65 WeakPolarHBondContact O-CB 3.27Å; K62-K65 PolarHBondContact O-N 3.19Å; K62-K65 VanDerWaalsContact O-N 3.09Å; M63-K65 PolarHBondContact O-N 3.39Å
66	F	32.3	Very low	45.9	Very low	190 Å²	190	112.4 Å²	112.4	83%	0.833	55%	0.553	S	S	*	*			trans	-113.5	12.1	179	-93.9	-79.2	0	0	0	115.1	M63 R68	M63-F66 PolarHBondContact O-N 3.14Å; F66-R68 PolarHBondContact O-N 3.18Å
67	Q	36.2	Very low	47	Very low	170 Å²	170	112.3 Å²	112.3	79%	0.794	56%	0.555	S	S	*	*			trans	-75.5	74	170.7	-165.9	171	14.6	0	0	110.9	S69	Q67-S69 PolarHBondContact O-N 2.96Å
68	R	34.6	Very low	48.4	Very low	222 Å²	222	113.6 Å²	113.6	84%	0.838	56%	0.559	S	S	*	*			trans	-58.8	126.7	172.9	-166.2	173.2	-174.3	154.5	0.4	108.7	F66 V70	F66-R68 PolarHBondContact O-N 3.18Å; R68-V70 PolarHBondContact O-N 3.47Å; R68-V70 VanDerWaalsContact O-N 3.09Å
69	S	45.7	Very low	49.6	Very low	83 Å²	83	110 Å²	110	58%	0.58	54%	0.541	S	S	*	.			trans	-69	105.5	-177.3	52.8	0	0	0	0	110.6	Q67 S71	Q67-S69 PolarHBondContact O-N 2.96Å; S69-S71 PolarHBondContact O-N 2.65Å
70	V	52.7	Low	50.9	Low	77 Å²	77	106.3 Å²	106.3	47%	0.467	53%	0.527	S	S	.	.			trans	-64.9	113.5	177.6	-178.1	0	0	0	0	109.2	R68 D74 L75	R68-V70 PolarHBondContact O-N 3.47Å; R68-V70 VanDerWaalsContact O-N 3.09Å; V70-D74 HydrophobicContact CG1-CB 4.09Å; V70-L75 HydrophobicContact CG1-CD1 3.78Å; V70-L75 HydrophobicContact CG1-CD2 4.24Å; V70-L75 HydrophobicContact CG1-CG 3.77Å
71	S	61.2	Low	51.9	Low	40 Å²	40	104.6 Å²	104.6	28%	0.28	52%	0.515	S	S	.	.			trans	-84	171.9	175.2	74.9	0	0	0	0	111.3	S69 Q73 D74	S69-S71 PolarHBondContact O-N 2.65Å; S71-Q73 PolarHBondContact O-N 3.42Å; S71-Q73 PolarHBondContact OG-N 3.03Å; S71-Q73 VanDerWaalsContact OG-N 3.15Å; S71-D74 WeakPolarHBondContact CA-OD2 3.42Å; S71-D74 VanDerWaalsContact CB-OD2 3.26Å; S71-D74 WeakPolarHBondContact CB-OD2 3.34Å; S71-D74 PolarHBondContact N-OD2 2.79Å; S71-D74 PolarHBondContact O-N 2.82Å; S71-D74 PolarHBondContact OG-N 3.1Å; S71-D74 PolarHBondContact OG-OD2 2.91Å
72	F	64.9	Low	53.1	Low	20 Å²	20	104.3 Å²	104.3	9%	0.088	51%	0.511	C	S	.	.	S	Bend	trans	-61.4	-32.6	168.2	179.4	-101	0	0	0	111.9	D74 L75 T76 Y103 L106 P116 I119	F72-D74 PolarHBondContact O-N 3.5Å; F72-L75 CarbonylContact O-C 3.41Å; F72-L75 PolarHBondContact O-N 3.4Å; F72-T76 VanDerWaalsContact CD1-OG1 3.28Å; F72-T76 WeakPolarHBondContact CD1-OG1 3.09Å; F72-T76 HydrophobicContact CE1-CG2 4.34Å; F72-T76 WeakPolarHBondContact CE1-OG1 3.4Å; F72-T76 WeakPolarHBondContact CZ-OG1 3.3Å; F72-T76 PolarHBondContact O-N 3.02Å; F72-T76 VanDerWaalsContact O-N 3.1Å; F72-T76 PolarHBondContact O-OG1 2.9Å; F72-Y103 HydrophobicContact CD2-CD2 4.26Å; F72-Y103 HydrophobicContact CE2-CD2 4.35Å; F72-L106 HydrophobicContact CB-CD1 4.08Å; F72-L106 HydrophobicContact CD2-CD1 3.76Å; F72-L106 HydrophobicContact CG-CD1 4.43Å; F72-P116 HydrophobicContact CB-CG 4.44Å; F72-P116 HydrophobicContact CD1-CB 3.8Å; F72-P116 HydrophobicContact CD1-CG 3.44Å; F72-P116 VanDerWaalsContact CD1-CG 3.44Å; F72-P116 HydrophobicContact CD2-CG 4.35Å; F72-P116 HydrophobicContact CE1-CB 3.68Å; F72-P116 HydrophobicContact CE1-CG 3.71Å; F72-P116 HydrophobicContact CG-CG 3.8Å; F72-P116 HydrophobicContact CZ-CB 4.44Å; F72-P116 HydrophobicContact CZ-CG 4.31Å; F72-I119 HydrophobicContact CE1-CG1 4.15Å; F72-I119 HydrophobicContact CE2-CD1 3.86Å; F72-I119 HydrophobicContact CE2-CG1 3.78Å; F72-I119 HydrophobicContact CZ-CD1 3.61Å; F72-I119 HydrophobicContact CZ-CG1 3.4Å
73	Q	62.8	Low	54.4	Low	157 Å²	157	101.1 Å²	101.1	73%	0.734	50%	0.499	S	S	*	.	G	3₁₀ helix	trans	-72.2	-29.3	-176.9	-159.3	160.3	-4.9	0	0	112.3	S71 L75 T76	S71-Q73 PolarHBondContact O-N 3.42Å; S71-Q73 PolarHBondContact OG-N 3.03Å; S71-Q73 VanDerWaalsContact OG-N 3.15Å; Q73-L75 PolarHBondContact O-N 3.14Å; Q73-T76 PolarHBondContact O-N 3.32Å
74	D	65.8	Low	56.4	Low	100 Å²	100	94.3 Å²	94.3	54%	0.535	46%	0.464	S	S	.	.	G	3₁₀ helix	trans	-70	-11.5	170	-57.5	-74.7	0	0	0	113.3	V70 S71 F72	V70-D74 HydrophobicContact CG1-CB 4.09Å; S71-D74 WeakPolarHBondContact CA-OD2 3.42Å; S71-D74 VanDerWaalsContact CB-OD2 3.26Å; S71-D74 WeakPolarHBondContact CB-OD2 3.34Å; S71-D74 PolarHBondContact N-OD2 2.79Å; S71-D74 PolarHBondContact O-N 2.82Å; S71-D74 PolarHBondContact OG-N 3.1Å; S71-D74 PolarHBondContact OG-OD2 2.91Å; F72-D74 PolarHBondContact O-N 3.5Å
75	L	64.3	Low	58	Low	68 Å²	68	94.4 Å²	94.4	36%	0.356	46%	0.461	S	S	.	.	G	3₁₀ helix	trans	-119.6	9.5	-179.7	-63.8	177.3	0	0	0	112.9	V70 F72 Q73 N102 L106	V70-L75 HydrophobicContact CG1-CD1 3.78Å; V70-L75 HydrophobicContact CG1-CD2 4.24Å; V70-L75 HydrophobicContact CG1-CG 3.77Å; F72-L75 CarbonylContact O-C 3.41Å; F72-L75 PolarHBondContact O-N 3.4Å; Q73-L75 PolarHBondContact O-N 3.14Å; L75-N102 PolarHBondContact O-ND2 3.41Å; L75-L106 HydrophobicContact CD1-CD1 4.14Å; L75-L106 HydrophobicContact CD1-CD2 4.12Å; L75-L106 HydrophobicContact CD1-CG 4.25Å
76	T	64.3	Low	59.6	Low	24 Å²	24	93 Å²	93	15%	0.147	46%	0.458	C	S	.	.			trans	-102.9	134	176.9	-55.2	0	0	0	0	109.7	F72 Q73 N78	F72-T76 VanDerWaalsContact CD1-OG1 3.28Å; F72-T76 WeakPolarHBondContact CD1-OG1 3.09Å; F72-T76 HydrophobicContact CE1-CG2 4.34Å; F72-T76 WeakPolarHBondContact CE1-OG1 3.4Å; F72-T76 WeakPolarHBondContact CZ-OG1 3.3Å; F72-T76 PolarHBondContact O-N 3.02Å; F72-T76 VanDerWaalsContact O-N 3.1Å; F72-T76 PolarHBondContact O-OG1 2.9Å; Q73-T76 PolarHBondContact O-N 3.32Å; T76-N78 VanDerWaalsContact CG2-OD1 3.26Å; T76-N78 WeakPolarHBondContact CG2-OD1 3.16Å
77	V	66.8	Low	61.4	Low	81 Å²	81	85.4 Å²	85.4	49%	0.491	43%	0.426	S	S	.	.			trans	-105.6	110.6	167.1	178.5	0	0	0	0	106.1	F79 Y95 M99	V77-F79 HydrophobicContact CG1-CE2 4.17Å; V77-F79 HydrophobicContact CG1-CZ 4.12Å; V77-Y95 HydrophobicContact CB-CE2 4.4Å; V77-Y95 WeakPolarHBondContact O-CE2 3.16Å; V77-Y95 PolarHBondContact O-OH 3.03Å; V77-M99 HydrophobicContact CB-CE 3.89Å; V77-M99 HydrophobicContact CG2-CE 4.12Å; V77-M99 VanDerWaalsContact N-CE 3.27Å
78	N	69.8	Low	63	Low	80 Å²	80	80.7 Å²	80.7	43%	0.428	41%	0.406	S	S	.	.			trans	-84.5	148.5	174.5	-68.4	-29.6	0	0	0	109.4	T76 I130	T76-N78 VanDerWaalsContact CG2-OD1 3.26Å; T76-N78 WeakPolarHBondContact CG2-OD1 3.16Å; N78-I130 HydrophobicContact CB-CD1 4.07Å
79	F	68.4	Low	64.5	Low	49 Å²	49	75.5 Å²	75.5	22%	0.215	40%	0.401	C	S	.	.			trans	-122.1	141.3	170.8	-70.6	-76	0	0	0	109	V77 E83 W84 L87 Y95	V77-F79 HydrophobicContact CG1-CE2 4.17Å; V77-F79 HydrophobicContact CG1-CZ 4.12Å; F79-E83 HydrophobicContact CB-CB 4.36Å; F79-E83 HydrophobicContact CD1-CB 3.91Å; F79-W84 HydrophobicContact CB-CB 4.24Å; F79-W84 HydrophobicContact CB-CE3 4.17Å; F79-W84 AromaticContact CD2-CE3 3.79Å; F79-W84 HydrophobicContact CD2-CE3 3.79Å; F79-W84 HydrophobicContact CD2-CZ3 4.03Å; F79-W84 HydrophobicContact CE2-CZ3 4.48Å; F79-W84 HydrophobicContact CG-CE3 4.22Å; F79-L87 HydrophobicContact CD1-CD1 4.37Å; F79-L87 HydrophobicContact CD2-CD1 4.06Å; F79-L87 HydrophobicContact CE1-CD1 4.16Å; F79-L87 HydrophobicContact CE1-CD2 4.38Å; F79-L87 HydrophobicContact CE2-CD1 3.83Å; F79-L87 HydrophobicContact CG-CD1 4.32Å; F79-L87 HydrophobicContact CZ-CD1 3.88Å; F79-L87 HydrophobicContact CZ-CD2 4.42Å; F79-Y95 HydrophobicContact CD2-CD2 4.22Å; F79-Y95 AromaticContact CD2-CE2 3.9Å; F79-Y95 HydrophobicContact CD2-CE2 3.9Å; F79-Y95 AromaticContact CE2-CD2 3.61Å; F79-Y95 HydrophobicContact CE2-CD2 3.61Å; F79-Y95 AromaticContact CE2-CE2 3.63Å; F79-Y95 HydrophobicContact CE2-CE2 3.63Å; F79-Y95 HydrophobicContact CE2-CG 4.39Å
80	T	68.6	Low	65.2	Low	43 Å²	43	74.7 Å²	74.7	26%	0.264	40%	0.399	S	S	.	.			trans	-64.2	166	162	58.9	0	0	0	0	110.4	E82 E83 W84	T80-E82 PolarHBondContact O-N 3.03Å; T80-E83 WeakPolarHBondContact CB-OE2 3.47Å; T80-E83 WeakPolarHBondContact CG2-OE2 3.32Å; T80-E83 PolarHBondContact N-OE2 3.28Å; T80-E83 WeakPolarHBondContact OG1-CB 3.37Å; T80-E83 VanDerWaalsContact OG1-CD 3.26Å; T80-E83 WeakPolarHBondContact OG1-CG 3.44Å; T80-E83 PolarHBondContact OG1-N 3.31Å; T80-E83 PolarHBondContact OG1-OE2 3.18Å; T80-W84 VanDerWaalsContact O-CB 3.27Å; T80-W84 WeakPolarHBondContact O-CB 3.22Å; T80-W84 PolarHBondContact O-N 2.94Å
81	Q	59.6	Low	65.6	Low	66 Å²	66	75.3 Å²	75.3	31%	0.308	40%	0.397	S	S	.	.	H	α-helix	trans	-63.1	-34.8	177.3	-176.3	179.8	-94.2	0	0	111.3	W84 Q85 W129	Q81-W84 PolarHBondContact O-N 2.97Å; Q81-Q85 WeakPolarHBondContact O-CB 3.36Å; Q81-Q85 WeakPolarHBondContact O-CG 3.41Å; Q81-Q85 PolarHBondContact O-N 2.79Å; Q81-W129 HydrophobicContact CB-CD2 4.39Å; Q81-W129 HydrophobicContact CB-CG 3.99Å; Q81-W129 HydrophobicContact CG-CD2 4.11Å; Q81-W129 HydrophobicContact CG-CG 4.22Å; Q81-W129 HydrophobicContact CG-CZ2 4.19Å
82	E	61.1	Low	66.3	Low	108 Å²	108	76.3 Å²	76.3	51%	0.505	39%	0.394	S	S	.	.	H	α-helix	trans	-74.7	-40	-175.8	-67	57.2	-127.4	0	0	111.4	T80 Q86	T80-E82 PolarHBondContact O-N 3.03Å; E82-Q86 WeakPolarHBondContact O-CG 3.49Å; E82-Q86 PolarHBondContact O-N 3.12Å; E82-Q86 PolarHBondContact O-NE2 2.98Å
83	E	61.6	Low	66.4	Low	91 Å²	91	79.8 Å²	79.8	43%	0.425	41%	0.413	S	S	.	.	H	α-helix	trans	-68.8	-43.5	170.4	-68.1	165.2	124.6	0	0	111.3	F79 T80 Q85 Q86 L87	F79-E83 HydrophobicContact CB-CB 4.36Å; F79-E83 HydrophobicContact CD1-CB 3.91Å; T80-E83 WeakPolarHBondContact CB-OE2 3.47Å; T80-E83 WeakPolarHBondContact CG2-OE2 3.32Å; T80-E83 PolarHBondContact N-OE2 3.28Å; T80-E83 WeakPolarHBondContact OG1-CB 3.37Å; T80-E83 VanDerWaalsContact OG1-CD 3.26Å; T80-E83 WeakPolarHBondContact OG1-CG 3.44Å; T80-E83 PolarHBondContact OG1-N 3.31Å; T80-E83 PolarHBondContact OG1-OE2 3.18Å; E83-Q85 VanDerWaalsContact C-N 3.27Å; E83-Q85 PolarHBondContact O-N 3.47Å; E83-Q86 WeakPolarHBondContact O-CB 3.32Å; E83-Q86 PolarHBondContact O-N 2.91Å; E83-L87 PolarHBondContact O-N 3.47Å
84	W	75.6	Confident	66.8	Low	8 Å²	8	77.6 Å²	77.6	3%	0.03	41%	0.406	C	S	.	.	H	α-helix	trans	-61.1	-37.3	179.6	-174.4	-93.1	0	0	0	112	F79 T80 Q81 Q86 L87 R92 Y95 E127 P128 W129	F79-W84 HydrophobicContact CB-CB 4.24Å; F79-W84 HydrophobicContact CB-CE3 4.17Å; F79-W84 AromaticContact CD2-CE3 3.79Å; F79-W84 HydrophobicContact CD2-CE3 3.79Å; F79-W84 HydrophobicContact CD2-CZ3 4.03Å; F79-W84 HydrophobicContact CE2-CZ3 4.48Å; F79-W84 HydrophobicContact CG-CE3 4.22Å; T80-W84 VanDerWaalsContact O-CB 3.27Å; T80-W84 WeakPolarHBondContact O-CB 3.22Å; T80-W84 PolarHBondContact O-N 2.94Å; Q81-W84 PolarHBondContact O-N 2.97Å; W84-Q86 VanDerWaalsContact C-N 3.29Å; W84-Q86 PolarHBondContact O-N 3.05Å; W84-L87 HydrophobicContact CD2-CD1 4.34Å; W84-L87 HydrophobicContact CE3-CD1 3.69Å; W84-L87 HydrophobicContact CZ3-CD1 3.93Å; W84-L87 PolarHBondContact O-N 2.9Å; W84-R92 HydrophobicContact CH2-CB 3.96Å; W84-R92 HydrophobicContact CH2-CG 4.01Å; W84-R92 HydrophobicContact CZ2-CB 3.76Å; W84-R92 HydrophobicContact CZ2-CG 3.63Å; W84-R92 PolarHBondContact O-NE 2.91Å; W84-R92 PolarHBondContact O-NH2 2.85Å; W84-R92 VanDerWaalsContact O-NH2 3.11Å; W84-Y95 AromaticContact CH2-CD1 3.55Å; W84-Y95 HydrophobicContact CH2-CD1 3.55Å; W84-Y95 HydrophobicContact CH2-CE1 4.12Å; W84-Y95 HydrophobicContact CH2-CG 4.15Å; W84-Y95 AromaticContact CZ3-CD1 3.45Å; W84-Y95 HydrophobicContact CZ3-CD1 3.45Å; W84-Y95 VanDerWaalsContact CZ3-CD1 3.45Å; W84-Y95 HydrophobicContact CZ3-CD2 4.49Å; W84-Y95 AromaticContact CZ3-CE1 3.78Å; W84-Y95 HydrophobicContact CZ3-CE1 3.78Å; W84-Y95 AromaticContact CZ3-CG 3.83Å; W84-Y95 HydrophobicContact CZ3-CG 3.83Å; W84-E127 PolarHBondContact NE1-OE1 3.29Å; W84-P128 VanDerWaalsContact CE2-CD 3.46Å; W84-P128 HydrophobicContact CH2-CG 3.77Å; W84-P128 HydrophobicContact CZ2-CG 3.9Å; W84-P128 HydrophobicContact CZ3-CG 4.16Å; W84-W129 HydrophobicContact CB-CB 4.48Å; W84-W129 HydrophobicContact CB-CE3 4.42Å; W84-W129 AromaticContact CD1-CE3 3.39Å; W84-W129 AromaticContact CD1-CZ3 3.64Å; W84-W129 AromaticContact CG-CE3 3.94Å; W84-W129 HydrophobicContact CG-CE3 3.94Å; W84-W129 AromaticContact NE1-CE3 3.92Å
85	Q	66.9	Low	67.4	Low	121 Å²	121	73.9 Å²	73.9	57%	0.565	39%	0.385	S	S	*	.	H	α-helix	trans	-65.7	-28.9	174.1	-76.8	-176.5	34.5	0	0	113.5	Q81 E83 R92	Q81-Q85 WeakPolarHBondContact O-CB 3.36Å; Q81-Q85 WeakPolarHBondContact O-CG 3.41Å; Q81-Q85 PolarHBondContact O-N 2.79Å; E83-Q85 VanDerWaalsContact C-N 3.27Å; E83-Q85 PolarHBondContact O-N 3.47Å; Q85-R92 PolarHBondContact O-NH2 3.14Å
86	Q	67.9	Low	67.9	Low	156 Å²	156	74.5 Å²	74.5	73%	0.729	38%	0.383	S	S	*	.	H	α-helix	trans	-76.9	-21.6	175.8	-70.3	169.5	68.3	0	0	113.4	E82 E83 W84	E82-Q86 WeakPolarHBondContact O-CG 3.49Å; E82-Q86 PolarHBondContact O-N 3.12Å; E82-Q86 PolarHBondContact O-NE2 2.98Å; E83-Q86 WeakPolarHBondContact O-CB 3.32Å; E83-Q86 PolarHBondContact O-N 2.91Å; W84-Q86 VanDerWaalsContact C-N 3.29Å; W84-Q86 PolarHBondContact O-N 3.05Å
87	L	70.6	Confident	68.3	Low	30 Å²	30	77.9 Å²	77.9	16%	0.157	40%	0.4	C	S	.	.	S	Bend	trans	-67	135	177	-63.5	-179.8	0	0	0	111.9	F79 E83 W84 Q91 R92	F79-L87 HydrophobicContact CD1-CD1 4.37Å; F79-L87 HydrophobicContact CD2-CD1 4.06Å; F79-L87 HydrophobicContact CE1-CD1 4.16Å; F79-L87 HydrophobicContact CE1-CD2 4.38Å; F79-L87 HydrophobicContact CE2-CD1 3.83Å; F79-L87 HydrophobicContact CG-CD1 4.32Å; F79-L87 HydrophobicContact CZ-CD1 3.88Å; F79-L87 HydrophobicContact CZ-CD2 4.42Å; E83-L87 PolarHBondContact O-N 3.47Å; W84-L87 HydrophobicContact CD2-CD1 4.34Å; W84-L87 HydrophobicContact CE3-CD1 3.69Å; W84-L87 HydrophobicContact CZ3-CD1 3.93Å; W84-L87 PolarHBondContact O-N 2.9Å; L87-Q91 HydrophobicContact CB-CB 4.22Å; L87-Q91 HydrophobicContact CD2-CB 4.33Å; L87-R92 HydrophobicContact CB-CG 3.74Å; L87-R92 HydrophobicContact CD1-CG 4.42Å; L87-R92 PolarHBondContact O-NE 3.21Å; L87-R92 PolarHBondContact O-NH2 3.48Å
88	D	69.8	Low	68.7	Low	70 Å²	70	76.9 Å²	76.9	37%	0.374	39%	0.393	S	S	.	.			trans	-73.5	162.4	175.7	83.4	54.3	0	0	0	112.6	A90 Q91 R92	D88-A90 VanDerWaalsContact C-N 3.25Å; D88-A90 PolarHBondContact O-N 3.15Å; D88-A90 VanDerWaalsContact OD1-CA 3.3Å; D88-A90 WeakPolarHBondContact OD1-CA 3.36Å; D88-A90 VanDerWaalsContact OD1-CB 3.3Å; D88-A90 WeakPolarHBondContact OD1-CB 3.49Å; D88-A90 PolarHBondContact OD1-N 2.79Å; D88-Q91 WeakPolarHBondContact O-CB 3.49Å; D88-Q91 PolarHBondContact O-N 3.31Å; D88-Q91 VanDerWaalsContact O-N 3.1Å; D88-Q91 PolarHBondContact OD1-N 2.8Å; D88-Q91 VanDerWaalsContact OD2-CG 3.27Å; D88-Q91 WeakPolarHBondContact OD2-CG 3.21Å; D88-Q91 PolarHBondContact OD2-NE2 2.99Å; D88-R92 WeakPolarHBondContact O-CG 3.36Å; D88-R92 PolarHBondContact O-N 3.49Å
89	P	65.7	Low	69.1	Low	113 Å²	113	73.3 Å²	73.3	73%	0.734	37%	0.374	S	S	*	.	H	α-helix	trans	-61.6	-25.5	-176.5	-25.6	35.9	0	0	0	115.5	L93	P89-L93 WeakPolarHBondContact O-CB 3.48Å; P89-L93 PolarHBondContact O-N 3.24Å
90	A	61.4	Low	69.4	Low	66 Å²	66	73.1 Å²	73.1	55%	0.545	38%	0.375	S	S	.	.	H	α-helix	trans	-81.4	-35.3	174.4	0	0	0	0	0	111.5	D88 L93 L94	D88-A90 VanDerWaalsContact C-N 3.25Å; D88-A90 PolarHBondContact O-N 3.15Å; D88-A90 VanDerWaalsContact OD1-CA 3.3Å; D88-A90 WeakPolarHBondContact OD1-CA 3.36Å; D88-A90 VanDerWaalsContact OD1-CB 3.3Å; D88-A90 WeakPolarHBondContact OD1-CB 3.49Å; D88-A90 PolarHBondContact OD1-N 2.79Å; A90-L93 PolarHBondContact O-N 3.13Å; A90-L94 WeakPolarHBondContact O-CB 3.38Å; A90-L94 PolarHBondContact O-N 3.15Å
91	Q	60.2	Low	69.9	Low	90 Å²	90	76.9 Å²	76.9	42%	0.421	39%	0.39	S	S	.	.	H	α-helix	trans	-63	-46.7	171.4	-70.9	169.5	-9.1	0	0	111.8	L87 D88 L93 L94 Y95	L87-Q91 HydrophobicContact CB-CB 4.22Å; L87-Q91 HydrophobicContact CD2-CB 4.33Å; D88-Q91 WeakPolarHBondContact O-CB 3.49Å; D88-Q91 PolarHBondContact O-N 3.31Å; D88-Q91 VanDerWaalsContact O-N 3.1Å; D88-Q91 PolarHBondContact OD1-N 2.8Å; D88-Q91 VanDerWaalsContact OD2-CG 3.27Å; D88-Q91 WeakPolarHBondContact OD2-CG 3.21Å; D88-Q91 PolarHBondContact OD2-NE2 2.99Å; Q91-L93 VanDerWaalsContact C-N 3.3Å; Q91-L93 PolarHBondContact O-N 2.86Å; Q91-L94 PolarHBondContact O-N 2.77Å; Q91-Y95 WeakPolarHBondContact O-CB 3.42Å; Q91-Y95 PolarHBondContact O-N 2.88Å
92	R	75.9	Confident	70.6	Confident	61 Å²	61	75.9 Å²	75.9	23%	0.23	39%	0.386	C	S	.	.	H	α-helix	trans	-62	-36.9	175.2	-63.7	-177	-156.4	-163.9	4.6	112.4	W84 Q85 L87 D88 R96 E127	W84-R92 HydrophobicContact CH2-CB 3.96Å; W84-R92 HydrophobicContact CH2-CG 4.01Å; W84-R92 HydrophobicContact CZ2-CB 3.76Å; W84-R92 HydrophobicContact CZ2-CG 3.63Å; W84-R92 PolarHBondContact O-NE 2.91Å; W84-R92 PolarHBondContact O-NH2 2.85Å; W84-R92 VanDerWaalsContact O-NH2 3.11Å; Q85-R92 PolarHBondContact O-NH2 3.14Å; L87-R92 HydrophobicContact CB-CG 3.74Å; L87-R92 HydrophobicContact CD1-CG 4.42Å; L87-R92 PolarHBondContact O-NE 3.21Å; L87-R92 PolarHBondContact O-NH2 3.48Å; D88-R92 WeakPolarHBondContact O-CG 3.36Å; D88-R92 PolarHBondContact O-N 3.49Å; R92-R96 PolarHBondContact O-N 3.31Å; R92-R96 VanDerWaalsContact O-N 3.11Å; R92-E127 IonicContact CZ-OE1 2.75Å; R92-E127 IonicContact NH1-OE1 2.67Å; R92-E127 PolarHBondContact NH1-OE1 3.15Å; R92-E127 IonicContact NH1-OE2 3.78Å
93	L	67.9	Low	71.4	Confident	93 Å²	93	72.7 Å²	72.7	49%	0.487	37%	0.37	S	S	.	.	H	α-helix	trans	-69.1	-42.9	175.4	-175.4	64.3	0	0	0	111.9	P89 A90 Q91 Y95 R96 D97	P89-L93 WeakPolarHBondContact O-CB 3.48Å; P89-L93 PolarHBondContact O-N 3.24Å; A90-L93 PolarHBondContact O-N 3.13Å; Q91-L93 VanDerWaalsContact C-N 3.3Å; Q91-L93 PolarHBondContact O-N 2.86Å; L93-Y95 VanDerWaalsContact C-N 3.34Å; L93-Y95 PolarHBondContact O-N 3.46Å; L93-R96 WeakPolarHBondContact O-CB 3.14Å; L93-R96 PolarHBondContact O-N 3Å; L93-D97 PolarHBondContact O-N 3.32Å
94	L	70.9	Confident	72	Confident	111 Å²	111	71.4 Å²	71.4	58%	0.581	37%	0.371	S	S	*	.	H	α-helix	trans	-61.3	-43.3	175.3	178.5	62.4	0	0	0	111.3	A90 Q91 R96 D97 V98	A90-L94 WeakPolarHBondContact O-CB 3.38Å; A90-L94 PolarHBondContact O-N 3.15Å; Q91-L94 PolarHBondContact O-N 2.77Å; L94-R96 PolarHBondContact O-N 2.94Å; L94-D97 PolarHBondContact O-N 3.24Å; L94-V98 HydrophobicContact CD1-CG2 3.99Å; L94-V98 HydrophobicContact CG-CG2 4.36Å; L94-V98 WeakPolarHBondContact O-CB 3.31Å; L94-V98 VanDerWaalsContact O-CG2 3.26Å; L94-V98 WeakPolarHBondContact O-CG2 3.37Å; L94-V98 PolarHBondContact O-N 3.39Å
95	Y	78.9	Confident	72	Confident	22 Å²	22	74.8 Å²	74.8	9%	0.086	39%	0.39	C	S	.	.	H	α-helix	trans	-56.6	-48.3	173.9	177.4	-95.5	0	0	0	112	V77 F79 W84 Q91 L93 V98 M99 L122 P128	V77-Y95 HydrophobicContact CB-CE2 4.4Å; V77-Y95 WeakPolarHBondContact O-CE2 3.16Å; V77-Y95 PolarHBondContact O-OH 3.03Å; F79-Y95 HydrophobicContact CD2-CD2 4.22Å; F79-Y95 AromaticContact CD2-CE2 3.9Å; F79-Y95 HydrophobicContact CD2-CE2 3.9Å; F79-Y95 AromaticContact CE2-CD2 3.61Å; F79-Y95 HydrophobicContact CE2-CD2 3.61Å; F79-Y95 AromaticContact CE2-CE2 3.63Å; F79-Y95 HydrophobicContact CE2-CE2 3.63Å; F79-Y95 HydrophobicContact CE2-CG 4.39Å; W84-Y95 AromaticContact CH2-CD1 3.55Å; W84-Y95 HydrophobicContact CH2-CD1 3.55Å; W84-Y95 HydrophobicContact CH2-CE1 4.12Å; W84-Y95 HydrophobicContact CH2-CG 4.15Å; W84-Y95 AromaticContact CZ3-CD1 3.45Å; W84-Y95 HydrophobicContact CZ3-CD1 3.45Å; W84-Y95 VanDerWaalsContact CZ3-CD1 3.45Å; W84-Y95 HydrophobicContact CZ3-CD2 4.49Å; W84-Y95 AromaticContact CZ3-CE1 3.78Å; W84-Y95 HydrophobicContact CZ3-CE1 3.78Å; W84-Y95 AromaticContact CZ3-CG 3.83Å; W84-Y95 HydrophobicContact CZ3-CG 3.83Å; Q91-Y95 WeakPolarHBondContact O-CB 3.42Å; Q91-Y95 PolarHBondContact O-N 2.88Å; L93-Y95 VanDerWaalsContact C-N 3.34Å; L93-Y95 PolarHBondContact O-N 3.46Å; Y95-V98 PolarHBondContact O-N 3.1Å; Y95-M99 HydrophobicContact CD1-CG 4.34Å; Y95-M99 HydrophobicContact CD2-CE 4.13Å; Y95-M99 HydrophobicContact CD2-CG 4.19Å; Y95-M99 HydrophobicContact CE1-CG 3.99Å; Y95-M99 HydrophobicContact CE2-CE 3.59Å; Y95-M99 HydrophobicContact CE2-CG 3.84Å; Y95-M99 HydrophobicContact CE2-SD 4.48Å; Y95-M99 HydrophobicContact CG-CG 4.46Å; Y95-M99 WeakPolarHBondContact O-CB 3.44Å; Y95-M99 WeakPolarHBondContact O-CG 3.19Å; Y95-M99 PolarHBondContact O-N 3.47Å; Y95-L122 HydrophobicContact CD1-CD1 4.47Å; Y95-L122 HydrophobicContact CD1-CD2 4.24Å; Y95-L122 HydrophobicContact CE1-CD1 4.01Å; Y95-L122 HydrophobicContact CE1-CD2 4.26Å; Y95-P128 HydrophobicContact CE1-CG 4.14Å
96	R	74.5	Confident	72	Confident	82 Å²	82	69.8 Å²	69.8	31%	0.309	37%	0.367	S	S	.	.	H	α-helix	trans	-57.8	-50.1	177.3	178.7	176.9	-164.8	-174.7	5.6	111.7	R92 L93 L94 L100 L122 E123 G125	R92-R96 PolarHBondContact O-N 3.31Å; R92-R96 VanDerWaalsContact O-N 3.11Å; L93-R96 WeakPolarHBondContact O-CB 3.14Å; L93-R96 PolarHBondContact O-N 3Å; L94-R96 PolarHBondContact O-N 2.94Å; R96-L100 HydrophobicContact CG-CD1 3.92Å; R96-L100 WeakPolarHBondContact O-CB 3.46Å; R96-L100 WeakPolarHBondContact O-CG 3.36Å; R96-L100 PolarHBondContact O-N 3.08Å; R96-L100 VanDerWaalsContact O-N 3.12Å; R96-L122 HydrophobicContact CB-CD2 3.93Å; R96-L122 HydrophobicContact CG-CD2 3.98Å; R96-L122 PolarHBondContact NE-O 3.03Å; R96-L122 PolarHBondContact NH2-O 3.16Å; R96-E123 PolarHBondContact NH2-O 2.94Å; R96-G125 VanDerWaalsContact NH2-CA 3.29Å
97	D	71.6	Confident	72.2	Confident	95 Å²	95	65.9 Å²	65.9	51%	0.508	35%	0.354	S	S	.	.	H	α-helix	trans	-63.8	-43.7	-179.3	-77	-7.2	0	0	0	111.4	L93 L94 E101	L93-D97 PolarHBondContact O-N 3.32Å; L94-D97 PolarHBondContact O-N 3.24Å; D97-E101 WeakPolarHBondContact O-CB 3.2Å; D97-E101 PolarHBondContact O-N 3.23Å
98	V	75.1	Confident	71.9	Confident	59 Å²	59	68.7 Å²	68.7	36%	0.358	38%	0.376	S	S	.	.	H	α-helix	trans	-64.7	-44.7	179	169.2	0	0	0	0	112.3	L94 Y95 E101 N102	L94-V98 HydrophobicContact CD1-CG2 3.99Å; L94-V98 HydrophobicContact CG-CG2 4.36Å; L94-V98 WeakPolarHBondContact O-CB 3.31Å; L94-V98 VanDerWaalsContact O-CG2 3.26Å; L94-V98 WeakPolarHBondContact O-CG2 3.37Å; L94-V98 PolarHBondContact O-N 3.39Å; Y95-V98 PolarHBondContact O-N 3.1Å; V98-E101 PolarHBondContact O-N 3.41Å; V98-N102 WeakPolarHBondContact O-CB 3.44Å; V98-N102 VanDerWaalsContact O-CG 3.32Å; V98-N102 PolarHBondContact O-N 3.11Å
99	M	77.9	Confident	71.8	Confident	6 Å²	6	71 Å²	71	3%	0.03	39%	0.392	C	S	.	.	H	α-helix	trans	-68.9	-37.4	-179.2	-69.6	-59.4	161.8	0	0	112.2	V77 Y95 N102 Y103 I119 L122	V77-M99 HydrophobicContact CB-CE 3.89Å; V77-M99 HydrophobicContact CG2-CE 4.12Å; V77-M99 VanDerWaalsContact N-CE 3.27Å; Y95-M99 HydrophobicContact CD1-CG 4.34Å; Y95-M99 HydrophobicContact CD2-CE 4.13Å; Y95-M99 HydrophobicContact CD2-CG 4.19Å; Y95-M99 HydrophobicContact CE1-CG 3.99Å; Y95-M99 HydrophobicContact CE2-CE 3.59Å; Y95-M99 HydrophobicContact CE2-CG 3.84Å; Y95-M99 HydrophobicContact CE2-SD 4.48Å; Y95-M99 HydrophobicContact CG-CG 4.46Å; Y95-M99 WeakPolarHBondContact O-CB 3.44Å; Y95-M99 WeakPolarHBondContact O-CG 3.19Å; Y95-M99 PolarHBondContact O-N 3.47Å; M99-N102 PolarHBondContact O-N 2.83Å; M99-Y103 PolarHBondContact O-N 2.82Å; M99-I119 HydrophobicContact CB-CD1 4.08Å; M99-I119 VanDerWaalsContact O-CD1 3.28Å; M99-I119 WeakPolarHBondContact O-CD1 3.47Å; M99-L122 HydrophobicContact CB-CD1 3.73Å; M99-L122 HydrophobicContact CG-CD1 4.37Å
100	L	75.8	Confident	71.2	Confident	44 Å²	44	68 Å²	68	23%	0.23	38%	0.382	C	S	.	.	H	α-helix	trans	-67.3	-37.4	173.3	-66.2	174.8	0	0	0	111.9	R96 S104 I119 L122 E123	R96-L100 HydrophobicContact CG-CD1 3.92Å; R96-L100 WeakPolarHBondContact O-CB 3.46Å; R96-L100 WeakPolarHBondContact O-CG 3.36Å; R96-L100 PolarHBondContact O-N 3.08Å; R96-L100 VanDerWaalsContact O-N 3.12Å; L100-S104 VanDerWaalsContact O-CB 3.28Å; L100-S104 WeakPolarHBondContact O-CB 3.42Å; L100-S104 PolarHBondContact O-N 2.91Å; L100-I119 HydrophobicContact CD2-CD1 4.33Å; L100-I119 HydrophobicContact CD2-CG2 4.07Å; L100-L122 HydrophobicContact CD2-CB 4.32Å; L100-E123 HydrophobicContact CD2-CG 3.8Å
101	E	78.8	Confident	71.2	Confident	122 Å²	122	69.2 Å²	69.2	57%	0.57	37%	0.373	S	S	*	.	H	α-helix	trans	-67.7	-43.4	173.7	-178.2	156.6	-155.9	0	0	111.9	D97 V98 Y103 S104 N105	D97-E101 WeakPolarHBondContact O-CB 3.2Å; D97-E101 PolarHBondContact O-N 3.23Å; V98-E101 PolarHBondContact O-N 3.41Å; E101-Y103 PolarHBondContact O-N 2.81Å; E101-S104 PolarHBondContact O-N 3.19Å; E101-N105 WeakPolarHBondContact CG-ND2 3.32Å; E101-N105 WeakPolarHBondContact O-CB 3.37Å; E101-N105 VanDerWaalsContact O-CG 3.25Å; E101-N105 PolarHBondContact O-N 3.24Å; E101-N105 PolarHBondContact O-ND2 3.28Å; E101-N105 VanDerWaalsContact O-ND2 3.12Å
102	N	75.6	Confident	70.9	Confident	45 Å²	45	73.9 Å²	73.9	24%	0.241	40%	0.395	C	S	.	.	H	α-helix	trans	-57.8	-48.1	174.7	-76.9	-6	0	0	0	112	L75 V98 M99 N105 L106	L75-N102 PolarHBondContact O-ND2 3.41Å; V98-N102 WeakPolarHBondContact O-CB 3.44Å; V98-N102 VanDerWaalsContact O-CG 3.32Å; V98-N102 PolarHBondContact O-N 3.11Å; M99-N102 PolarHBondContact O-N 2.83Å; N102-N105 PolarHBondContact O-N 3.16Å; N102-L106 PolarHBondContact O-N 3.09Å
103	Y	77.2	Confident	70.1	Confident	41 Å²	41	74.1 Å²	74.1	16%	0.161	40%	0.403	C	S	.	.	H	α-helix	trans	-62.5	-44.8	175.6	179.4	-101.9	0	0	0	112	F72 M99 E101 N105 L106 V107 P116 I119	F72-Y103 HydrophobicContact CD2-CD2 4.26Å; F72-Y103 HydrophobicContact CE2-CD2 4.35Å; M99-Y103 PolarHBondContact O-N 2.82Å; E101-Y103 PolarHBondContact O-N 2.81Å; Y103-N105 VanDerWaalsContact C-N 3.26Å; Y103-N105 PolarHBondContact O-N 3.39Å; Y103-L106 PolarHBondContact O-N 3.37Å; Y103-V107 HydrophobicContact CD1-CG2 4.44Å; Y103-V107 HydrophobicContact CE1-CG2 3.98Å; Y103-V107 HydrophobicContact CE2-CG2 4.14Å; Y103-V107 WeakPolarHBondContact O-CG2 3.27Å; Y103-V107 PolarHBondContact O-N 3.41Å; Y103-P116 HydrophobicContact CD2-CG 4.44Å; Y103-P116 VanDerWaalsContact CE2-CD 3.47Å; Y103-P116 HydrophobicContact CE2-CG 4.39Å; Y103-I119 HydrophobicContact CD1-CG2 3.82Å; Y103-I119 HydrophobicContact CD2-CG1 4.19Å; Y103-I119 HydrophobicContact CD2-CG2 4.4Å; Y103-I119 HydrophobicContact CE1-CG2 4.22Å; Y103-I119 HydrophobicContact CG-CD1 4.37Å; Y103-I119 HydrophobicContact CG-CG1 4.09Å; Y103-I119 HydrophobicContact CG-CG2 3.92Å
104	S	74.3	Confident	69.7	Low	64 Å²	64	75 Å²	75	45%	0.448	42%	0.416	S	S	.	.	H	α-helix	trans	-60.1	-36.1	176.2	-176.7	0	0	0	0	112.4	L100 E101 S108	L100-S104 VanDerWaalsContact O-CB 3.28Å; L100-S104 WeakPolarHBondContact O-CB 3.42Å; L100-S104 PolarHBondContact O-N 2.91Å; E101-S104 PolarHBondContact O-N 3.19Å; S104-S108 VanDerWaalsContact O-CB 3.25Å; S104-S108 WeakPolarHBondContact O-CB 3.46Å; S104-S108 PolarHBondContact O-N 3.3Å; S104-S108 PolarHBondContact O-OG 2.8Å
105	N	74.4	Confident	69.8	Low	79 Å²	79	73.4 Å²	73.4	42%	0.422	41%	0.405	S	S	.	.	H	α-helix	trans	-72.1	-41.8	178	-74.7	-34.4	0	0	0	112.2	E101 N102 Y103 S108 V109	E101-N105 WeakPolarHBondContact CG-ND2 3.32Å; E101-N105 WeakPolarHBondContact O-CB 3.37Å; E101-N105 VanDerWaalsContact O-CG 3.25Å; E101-N105 PolarHBondContact O-N 3.24Å; E101-N105 PolarHBondContact O-ND2 3.28Å; E101-N105 VanDerWaalsContact O-ND2 3.12Å; N102-N105 PolarHBondContact O-N 3.16Å; Y103-N105 VanDerWaalsContact C-N 3.26Å; Y103-N105 PolarHBondContact O-N 3.39Å; N105-S108 PolarHBondContact O-N 3.11Å; N105-S108 VanDerWaalsContact O-N 3.16Å; N105-V109 PolarHBondContact O-N 3.23Å; N105-V109 VanDerWaalsContact O-N 3.07Å
106	L	68.6	Low	69.5	Low	17 Å²	17	73.5 Å²	73.5	9%	0.089	41%	0.408	C	S	.	.	H	α-helix	trans	-59.4	-47.9	173.7	-76.1	163.8	0	0	0	112.2	F72 L75 N102 Y103 S108 V109 Y111	F72-L106 HydrophobicContact CB-CD1 4.08Å; F72-L106 HydrophobicContact CD2-CD1 3.76Å; F72-L106 HydrophobicContact CG-CD1 4.43Å; L75-L106 HydrophobicContact CD1-CD1 4.14Å; L75-L106 HydrophobicContact CD1-CD2 4.12Å; L75-L106 HydrophobicContact CD1-CG 4.25Å; N102-L106 PolarHBondContact O-N 3.09Å; Y103-L106 PolarHBondContact O-N 3.37Å; L106-S108 VanDerWaalsContact C-N 3.27Å; L106-S108 PolarHBondContact O-N 3Å; L106-V109 WeakPolarHBondContact O-CG2 3.39Å; L106-V109 PolarHBondContact O-N 2.78Å; L106-Y111 VanDerWaalsContact O-CB 3.29Å; L106-Y111 WeakPolarHBondContact O-CB 3.46Å; L106-Y111 PolarHBondContact O-N 3.38Å
107	V	70.5	Confident	69.4	Low	73 Å²	73	75.4 Å²	75.4	44%	0.442	43%	0.425	S	S	.	.	H	α-helix	trans	-62.5	-37	175	176.5	0	0	0	0	110.8	Y103 V109 G110	Y103-V107 HydrophobicContact CD1-CG2 4.44Å; Y103-V107 HydrophobicContact CE1-CG2 3.98Å; Y103-V107 HydrophobicContact CE2-CG2 4.14Å; Y103-V107 WeakPolarHBondContact O-CG2 3.27Å; Y103-V107 PolarHBondContact O-N 3.41Å; V107-V109 VanDerWaalsContact C-N 3.3Å; V107-V109 PolarHBondContact O-N 3.34Å; V107-G110 PolarHBondContact O-N 2.97Å; V107-G110 VanDerWaalsContact O-N 3.1Å
108	S	64.4	Low	69.2	Low	90 Å²	90	72.1 Å²	72.1	63%	0.629	41%	0.408	S	S	*	.	H	α-helix	trans	-70.5	-18.7	179.4	-63.3	0	0	0	0	114.9	S104 N105 L106 G110	S104-S108 VanDerWaalsContact O-CB 3.25Å; S104-S108 WeakPolarHBondContact O-CB 3.46Å; S104-S108 PolarHBondContact O-N 3.3Å; S104-S108 PolarHBondContact O-OG 2.8Å; N105-S108 PolarHBondContact O-N 3.11Å; N105-S108 VanDerWaalsContact O-N 3.16Å; L106-S108 VanDerWaalsContact C-N 3.27Å; L106-S108 PolarHBondContact O-N 3Å; S108-G110 VanDerWaalsContact C-N 3.34Å
109	V	67.6	Low	69.4	Low	118 Å²	118	69.3 Å²	69.3	72%	0.715	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.1	5.1	170.8	-61.2	0	0	0	0	113.4	N105 L106 V107	N105-V109 PolarHBondContact O-N 3.23Å; N105-V109 VanDerWaalsContact O-N 3.07Å; L106-V109 WeakPolarHBondContact O-CG2 3.39Å; L106-V109 PolarHBondContact O-N 2.78Å; V107-V109 VanDerWaalsContact C-N 3.3Å; V107-V109 PolarHBondContact O-N 3.34Å
110	G	54.7	Low	69.3	Low	51 Å²	51	72 Å²	72	53%	0.526	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	91	16.1	176.1	0	0	0	0	0	114.7	V107 S108 H112	V107-G110 PolarHBondContact O-N 2.97Å; V107-G110 VanDerWaalsContact O-N 3.1Å; S108-G110 VanDerWaalsContact C-N 3.34Å; G110-H112 PolarHBondContact O-CD2 3.25Å; G110-H112 PolarHBondContact O-N 3.26Å
111	Y	60.9	Low	69.1	Low	91 Å²	91	73.4 Å²	73.4	36%	0.357	41%	0.407	S	S	.	.			trans	-80.1	116.8	179.2	-135.6	-75	0	0	0	110.7	L106 V113	L106-Y111 VanDerWaalsContact O-CB 3.29Å; L106-Y111 WeakPolarHBondContact O-CB 3.46Å; L106-Y111 PolarHBondContact O-N 3.38Å; Y111-V113 HydrophobicContact CD1-CG2 3.57Å; Y111-V113 HydrophobicContact CE1-CG2 4.18Å; Y111-V113 PolarHBondContact O-N 2.81Å
112	H	53.3	Low	68.9	Low	188 Å²	188	67.9 Å²	67.9	87%	0.87	38%	0.381	S	S	*	.			trans	-90.7	96.9	177.7	-74.9	-92.4	0	0	0	110.4	G110	G110-H112 PolarHBondContact O-CD2 3.25Å; G110-H112 PolarHBondContact O-N 3.26Å
113	V	58.8	Low	68.9	Low	65 Å²	65	70 Å²	70	39%	0.394	39%	0.39	S	S	.	.			trans	-116.8	141.4	172.3	-158.6	0	0	0	0	109.1	Y111	Y111-V113 HydrophobicContact CD1-CG2 3.57Å; Y111-V113 HydrophobicContact CE1-CG2 4.18Å; Y111-V113 PolarHBondContact O-N 2.81Å
114	S	59.8	Low	68.3	Low	111 Å²	111	72.7 Å²	72.7	78%	0.776	40%	0.404	S	S	*	.	P	Polyproline II helix	trans	-56.3	136.7	161.3	-60.4	0	0	0	0	109.4	P116	S114-P116 VanDerWaalsContact O-CD 3.25Å; S114-P116 WeakPolarHBondContact O-CD 3.39Å; S114-P116 VanDerWaalsContact O-N 3.17Å
115	K	72.9	Confident	67.5	Low	78 Å²	78	71.7 Å²	71.7	34%	0.339	40%	0.404	S	S	.	.	P	Polyproline II helix	trans	-60.3	118.4	-173	-172.6	172.5	-164.1	159.8	0	110.8	I119 E123	K115-I119 HydrophobicContact CG-CG2 4.27Å; K115-E123 WeakPolarHBondContact CE-OE1 3.34Å; K115-E123 IonicContact NZ-OE1 3.76Å; K115-E123 PolarHBondContact NZ-OE1 3.07Å; K115-E123 IonicContact NZ-OE2 3.88Å; K115-E123 PolarHBondContact NZ-OE2 2.96Å
116	P	73.8	Confident	67	Low	24 Å²	24	72.9 Å²	72.9	16%	0.156	41%	0.407	C	S	.	.	P	Polyproline II helix	trans	-65.1	143	-177.8	-22.4	33.4	0	0	0	112.4	F72 Y103 S114 V118 I119 F120	F72-P116 HydrophobicContact CB-CG 4.44Å; F72-P116 HydrophobicContact CD1-CB 3.8Å; F72-P116 HydrophobicContact CD1-CG 3.44Å; F72-P116 VanDerWaalsContact CD1-CG 3.44Å; F72-P116 HydrophobicContact CD2-CG 4.35Å; F72-P116 HydrophobicContact CE1-CB 3.68Å; F72-P116 HydrophobicContact CE1-CG 3.71Å; F72-P116 HydrophobicContact CG-CG 3.8Å; F72-P116 HydrophobicContact CZ-CB 4.44Å; F72-P116 HydrophobicContact CZ-CG 4.31Å; Y103-P116 HydrophobicContact CD2-CG 4.44Å; Y103-P116 VanDerWaalsContact CE2-CD 3.47Å; Y103-P116 HydrophobicContact CE2-CG 4.39Å; S114-P116 VanDerWaalsContact O-CD 3.25Å; S114-P116 WeakPolarHBondContact O-CD 3.39Å; S114-P116 VanDerWaalsContact O-N 3.17Å; P116-V118 VanDerWaalsContact C-N 3.28Å; P116-V118 PolarHBondContact O-N 3.4Å; P116-I119 HydrophobicContact CB-CG1 4.32Å; P116-I119 HydrophobicContact CG-CG1 4.41Å; P116-I119 WeakPolarHBondContact O-CA 3.14Å; P116-I119 WeakPolarHBondContact O-CB 3.49Å; P116-I119 PolarHBondContact O-N 3.04Å; P116-F120 PolarHBondContact O-N 3.43Å
117	D	71.4	Confident	66.6	Low	123 Å²	123	76.3 Å²	76.3	66%	0.658	42%	0.422	S	S	*	.	H	α-helix	trans	-63.3	-32.5	-175.6	-63.7	-50.1	0	0	0	113.3	I119 F120 K121	D117-I119 VanDerWaalsContact C-N 3.3Å; D117-I119 PolarHBondContact O-N 3.32Å; D117-F120 WeakPolarHBondContact O-CB 3.35Å; D117-F120 PolarHBondContact O-N 2.82Å; D117-F120 VanDerWaalsContact O-N 3.11Å; D117-K121 WeakPolarHBondContact O-CG 3.48Å; D117-K121 PolarHBondContact O-N 3.18Å
118	V	68.1	Low	65.8	Low	26 Å²	26	73.2 Å²	73.2	16%	0.158	40%	0.404	C	S	.	.	H	α-helix	trans	-58.5	-42.6	171.8	179.6	0	0	0	0	110.8	P116 L122 P128	P116-V118 VanDerWaalsContact C-N 3.28Å; P116-V118 PolarHBondContact O-N 3.4Å; V118-L122 HydrophobicContact CG1-CD1 4Å; V118-L122 VanDerWaalsContact O-CB 3.27Å; V118-L122 WeakPolarHBondContact O-CB 3.43Å; V118-L122 WeakPolarHBondContact O-CG 3.35Å; V118-L122 PolarHBondContact O-N 3.43Å; V118-P128 HydrophobicContact CG1-CB 4.13Å
119	I	78.1	Confident	65.6	Low	0 Å²	0	72.1 Å²	72.1	0%	0	39%	0.385	C	S	.	.	H	α-helix	trans	-70.6	-33.2	175.7	-63.7	-63.7	0	0	0	111.4	F72 M99 L100 Y103 K115 P116 D117 L122 E123	F72-I119 HydrophobicContact CE1-CG1 4.15Å; F72-I119 HydrophobicContact CE2-CD1 3.86Å; F72-I119 HydrophobicContact CE2-CG1 3.78Å; F72-I119 HydrophobicContact CZ-CD1 3.61Å; F72-I119 HydrophobicContact CZ-CG1 3.4Å; M99-I119 HydrophobicContact CB-CD1 4.08Å; M99-I119 VanDerWaalsContact O-CD1 3.28Å; M99-I119 WeakPolarHBondContact O-CD1 3.47Å; L100-I119 HydrophobicContact CD2-CD1 4.33Å; L100-I119 HydrophobicContact CD2-CG2 4.07Å; Y103-I119 HydrophobicContact CD1-CG2 3.82Å; Y103-I119 HydrophobicContact CD2-CG1 4.19Å; Y103-I119 HydrophobicContact CD2-CG2 4.4Å; Y103-I119 HydrophobicContact CE1-CG2 4.22Å; Y103-I119 HydrophobicContact CG-CD1 4.37Å; Y103-I119 HydrophobicContact CG-CG1 4.09Å; Y103-I119 HydrophobicContact CG-CG2 3.92Å; K115-I119 HydrophobicContact CG-CG2 4.27Å; P116-I119 HydrophobicContact CB-CG1 4.32Å; P116-I119 HydrophobicContact CG-CG1 4.41Å; P116-I119 WeakPolarHBondContact O-CA 3.14Å; P116-I119 WeakPolarHBondContact O-CB 3.49Å; P116-I119 PolarHBondContact O-N 3.04Å; D117-I119 VanDerWaalsContact C-N 3.3Å; D117-I119 PolarHBondContact O-N 3.32Å; I119-L122 HydrophobicContact CD1-CD1 4.48Å; I119-E123 PolarHBondContact O-N 3.01Å
120	F	77.5	Confident	64.4	Low	62 Å²	62	70.5 Å²	70.5	27%	0.272	37%	0.372	S	S	.	.	H	α-helix	trans	-65.4	-51	174.5	-177.8	-96.5	0	0	0	111.9	P116 D117 L122 E123 Q124	P116-F120 PolarHBondContact O-N 3.43Å; D117-F120 WeakPolarHBondContact O-CB 3.35Å; D117-F120 PolarHBondContact O-N 2.82Å; D117-F120 VanDerWaalsContact O-N 3.11Å; F120-L122 PolarHBondContact O-N 3.2Å; F120-E123 PolarHBondContact O-N 3.49Å; F120-Q124 HydrophobicContact CE1-CG 4.22Å; F120-Q124 HydrophobicContact CZ-CG 4.28Å; F120-Q124 PolarHBondContact O-N 2.65Å
121	K	71.2	Confident	63.5	Low	73 Å²	73	73.3 Å²	73.3	32%	0.317	38%	0.379	S	S	.	.	H	α-helix	trans	-56.1	-50	174.2	-70.2	-179.1	179.7	-176.4	0	111.4	D117 E123 Q124 G125 E126	D117-K121 WeakPolarHBondContact O-CG 3.48Å; D117-K121 PolarHBondContact O-N 3.18Å; K121-E123 VanDerWaalsContact C-N 3.25Å; K121-E123 PolarHBondContact O-N 2.92Å; K121-Q124 PolarHBondContact O-N 3.23Å; K121-Q124 VanDerWaalsContact O-N 3.12Å; K121-G125 PolarHBondContact O-N 3.27Å; K121-E126 HydrophobicContact CB-CB 4.06Å; K121-E126 HydrophobicContact CG-CB 4.44Å; K121-E126 PolarHBondContact O-N 3.1Å
122	L	74.8	Confident	62.2	Low	6 Å²	6	75.3 Å²	75.3	3%	0.031	39%	0.391	C	S	.	.	H	α-helix	trans	-60.6	-28.6	178.1	-75.5	173.2	0	0	0	113.4	Y95 R96 M99 L100 V118 I119 F120 P128	Y95-L122 HydrophobicContact CD1-CD1 4.47Å; Y95-L122 HydrophobicContact CD1-CD2 4.24Å; Y95-L122 HydrophobicContact CE1-CD1 4.01Å; Y95-L122 HydrophobicContact CE1-CD2 4.26Å; R96-L122 HydrophobicContact CB-CD2 3.93Å; R96-L122 HydrophobicContact CG-CD2 3.98Å; R96-L122 PolarHBondContact NE-O 3.03Å; R96-L122 PolarHBondContact NH2-O 3.16Å; M99-L122 HydrophobicContact CB-CD1 3.73Å; M99-L122 HydrophobicContact CG-CD1 4.37Å; L100-L122 HydrophobicContact CD2-CB 4.32Å; V118-L122 HydrophobicContact CG1-CD1 4Å; V118-L122 VanDerWaalsContact O-CB 3.27Å; V118-L122 WeakPolarHBondContact O-CB 3.43Å; V118-L122 WeakPolarHBondContact O-CG 3.35Å; V118-L122 PolarHBondContact O-N 3.43Å; I119-L122 HydrophobicContact CD1-CD1 4.48Å; F120-L122 PolarHBondContact O-N 3.2Å; L122-P128 HydrophobicContact CD2-CB 4.19Å; L122-P128 HydrophobicContact CD2-CG 3.5Å; L122-P128 HydrophobicContact CG-CB 4.19Å; L122-P128 HydrophobicContact CG-CG 4.07Å
123	E	74.8	Confident	61	Low	91 Å²	91	75.1 Å²	75.1	43%	0.425	39%	0.391	S	S	.	.	H	α-helix	trans	-73.4	-43	172.5	-85.6	-173	-165.1	0	0	112.7	R96 L100 K115 I119 F120 K121 G125	R96-E123 PolarHBondContact NH2-O 2.94Å; L100-E123 HydrophobicContact CD2-CG 3.8Å; K115-E123 WeakPolarHBondContact CE-OE1 3.34Å; K115-E123 IonicContact NZ-OE1 3.76Å; K115-E123 PolarHBondContact NZ-OE1 3.07Å; K115-E123 IonicContact NZ-OE2 3.88Å; K115-E123 PolarHBondContact NZ-OE2 2.96Å; I119-E123 PolarHBondContact O-N 3.01Å; F120-E123 PolarHBondContact O-N 3.49Å; K121-E123 VanDerWaalsContact C-N 3.25Å; K121-E123 PolarHBondContact O-N 2.92Å; E123-G125 PolarHBondContact O-N 3.42Å
124	Q	64.1	Low	59.4	Low	97 Å²	97	80.6 Å²	80.6	45%	0.453	41%	0.41	S	S	.	.	H	α-helix	trans	-65.8	-26.5	175.6	-53.6	-46	-33.5	0	0	112.2	F120 K121 E126	F120-Q124 HydrophobicContact CE1-CG 4.22Å; F120-Q124 HydrophobicContact CZ-CG 4.28Å; F120-Q124 PolarHBondContact O-N 2.65Å; K121-Q124 PolarHBondContact O-N 3.23Å; K121-Q124 VanDerWaalsContact O-N 3.12Å; Q124-E126 HydrophobicContact CB-CG 4.15Å
125	G	58.6	Low	58	Low	43 Å²	43	80.5 Å²	80.5	44%	0.443	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.5	18.8	-172.5	0	0	0	0	0	113.1	R96 K121 E123	R96-G125 VanDerWaalsContact NH2-CA 3.29Å; K121-G125 PolarHBondContact O-N 3.27Å; E123-G125 PolarHBondContact O-N 3.42Å
126	E	63.4	Low	55.8	Low	104 Å²	104	83.1 Å²	83.1	49%	0.486	43%	0.427	S	S	.	.			trans	-75.4	148.1	166.5	-67.2	160.6	-154	0	0	109.3	K121 Q124	K121-E126 HydrophobicContact CB-CB 4.06Å; K121-E126 HydrophobicContact CG-CB 4.44Å; K121-E126 PolarHBondContact O-N 3.1Å; Q124-E126 HydrophobicContact CB-CG 4.15Å
127	E	60.6	Low	53.7	Low	89 Å²	89	89.8 Å²	89.8	42%	0.416	46%	0.456	S	S	.	.			trans	-80.2	146.1	178.5	-63.6	-166.4	103.9	0	0	111.2	W84 R92 W129	W84-E127 PolarHBondContact NE1-OE1 3.29Å; R92-E127 IonicContact CZ-OE1 2.75Å; R92-E127 IonicContact NH1-OE1 2.67Å; R92-E127 PolarHBondContact NH1-OE1 3.15Å; R92-E127 IonicContact NH1-OE2 3.78Å; E127-W129 HydrophobicContact CB-CE3 3.69Å; E127-W129 HydrophobicContact CB-CH2 4.15Å; E127-W129 HydrophobicContact CB-CZ3 3.28Å; E127-W129 HydrophobicContact CG-CZ3 4.17Å
128	P	53.3	Low	51.6	Low	8 Å²	8	90 Å²	90	5%	0.052	46%	0.457	C	S	.	.			trans	-108	2.2	-147	2.8	21.1	0	0	0	114.6	W84 Y95 V118 L122	W84-P128 VanDerWaalsContact CE2-CD 3.46Å; W84-P128 HydrophobicContact CH2-CG 3.77Å; W84-P128 HydrophobicContact CZ2-CG 3.9Å; W84-P128 HydrophobicContact CZ3-CG 4.16Å; Y95-P128 HydrophobicContact CE1-CG 4.14Å; V118-P128 HydrophobicContact CG1-CB 4.13Å; L122-P128 HydrophobicContact CD2-CB 4.19Å; L122-P128 HydrophobicContact CD2-CG 3.5Å; L122-P128 HydrophobicContact CG-CB 4.19Å; L122-P128 HydrophobicContact CG-CG 4.07Å
129	W	59.7	Low	49.5	Very low	66 Å²	66	98.8 Å²	98.8	25%	0.25	49%	0.489	C	S	.	.	P	Polyproline II helix	trans	-63.3	161.7	-169.9	66.6	84.2	0	0	0	113.3	Q81 W84 E127	Q81-W129 HydrophobicContact CB-CD2 4.39Å; Q81-W129 HydrophobicContact CB-CG 3.99Å; Q81-W129 HydrophobicContact CG-CD2 4.11Å; Q81-W129 HydrophobicContact CG-CG 4.22Å; Q81-W129 HydrophobicContact CG-CZ2 4.19Å; W84-W129 HydrophobicContact CB-CB 4.48Å; W84-W129 HydrophobicContact CB-CE3 4.42Å; W84-W129 AromaticContact CD1-CE3 3.39Å; W84-W129 AromaticContact CD1-CZ3 3.64Å; W84-W129 AromaticContact CG-CE3 3.94Å; W84-W129 HydrophobicContact CG-CE3 3.94Å; W84-W129 AromaticContact NE1-CE3 3.92Å; E127-W129 HydrophobicContact CB-CE3 3.69Å; E127-W129 HydrophobicContact CB-CH2 4.15Å; E127-W129 HydrophobicContact CB-CZ3 3.28Å; E127-W129 HydrophobicContact CG-CZ3 4.17Å
130	I	42.2	Very low	47.6	Very low	84 Å²	84	103.8 Å²	103.8	43%	0.431	52%	0.521	S	S	.	.	P	Polyproline II helix	trans	-93.2	140.2	176.9	-62.7	173.5	0	0	0	108.3	N78	N78-I130 HydrophobicContact CB-CD1 4.07Å
131	V	36.2	Very low	45.2	Very low	111 Å²	111	109.6 Å²	109.6	67%	0.673	55%	0.549	S	S	*	.	P	Polyproline II helix	trans	-87.6	122.8	162.6	176.2	0	0	0	0	106.5	E133	V131-E133 PolarHBondContact O-N 3Å; V131-E133 VanDerWaalsContact O-N 3.14Å
132	E	33.5	Very low	43.1	Very low	132 Å²	132	112.5 Å²	112.5	62%	0.617	57%	0.573	S	S	*	*			trans	-71.9	104.6	172.2	-65.4	-168.1	145.3	0	0	109.1	F134	E132-F134 PolarHBondContact O-N 3.2Å
133	E	28.3	Very low	40.8	Very low	184 Å²	184	119 Å²	119	86%	0.86	61%	0.608	S	S	*	*			trans	-68.6	99.5	165.9	-73.5	-170.5	145.5	0	0	108.7	V131 S135	V131-E133 PolarHBondContact O-N 3Å; V131-E133 VanDerWaalsContact O-N 3.14Å; E133-S135 PolarHBondContact O-N 2.96Å
134	F	25.2	Very low	38.5	Very low	181 Å²	181	121.8 Å²	121.8	79%	0.794	63%	0.625	S	S	*	*			trans	-58.2	106.3	175.1	-85.1	-94.8	0	0	0	110.9	E132 N136	E132-F134 PolarHBondContact O-N 3.2Å; F134-N136 PolarHBondContact O-N 3.19Å
135	S	30.4	Very low	36.7	Very low	109 Å²	109	121.9 Å²	121.9	76%	0.762	64%	0.643	S	S	*	*			trans	-68.2	112.9	172.8	58.5	0	0	0	0	110.9	E133	E133-S135 PolarHBondContact O-N 2.96Å
136	N	27.8	Very low	35.2	Very low	132 Å²	132	127.6 Å²	127.6	71%	0.706	66%	0.662	S	S	*	*			trans	-152.5	107.8	162	-99.5	-28.3	0	0	0	111.8	F134	F134-N136 PolarHBondContact O-N 3.19Å
137	Q	29.7	Very low	33.6	Very low	165 Å²	165	131.6 Å²	131.6	77%	0.771	68%	0.681	S	S	*	*			trans	37.8	124.6	132.2	-61.3	173.1	-13.3	0	0	117.3
138	N	26.2	Very low	32.1	Very low	128 Å²	128	135.7 Å²	135.7	68%	0.684	70%	0.698	S	S	*	*				173.3	156.3	50.7	-122	-15	0	0	0	112.4
139	Y	24.5	Very low	30.9	Very low	210 Å²	210	142.2 Å²	142.2	82%	0.824	73%	0.732	S	S	*	*			trans	71.2	159.1	161.6	-81.5	-99.2	0	0	0	118.6
140	P	38.1	Very low	29.3	Very low	104 Å²	104	149.2 Å²	149.2	68%	0.675	76%	0.764	S	S	*	*			trans	-134.4	-154.9	-130.9	43.9	-24.4	0	0	0	115.5
141	E	27.8	Very low	28.7	Very low	184 Å²	184	153.5 Å²	153.5	86%	0.86	78%	0.782	S	S	*	*			trans	75.1	146.6	-177.8	-46.1	-172.1	146.8	0	0	113.9
142	V	26.8	Very low	28.4	Very low	134 Å²	134	155.9 Å²	155.9	81%	0.812	79%	0.79	S	S	*	*			cis	-127.6	163.8	5.7	-172.1	0	0	0	0	109.8
143	N	25.7	Very low	28.3	Very low	144 Å²	144	159 Å²	159	77%	0.77	80%	0.804	S	S	*	*			trans	-72.6	-172.5	170.2	-73.9	-37.8	0	0	0	113.6
144	D	25.8	Very low	28.2	Very low	148 Å²	148	157 Å²	157	79%	0.791	80%	0.799	S	S	*	*			trans	75.2	91.1	160	-59	-11.3	0	0	0	119
145	A	27	Very low	28.4	Very low	99 Å²	99	157 Å²	157	82%	0.818	80%	0.799	S	S	*	*	S	Bend	trans	-165.4	20.1	134.7	0	0	0	0	0	116.9
146	L	27.3	Very low	28.2	Very low	163 Å²	163	159.4 Å²	159.4	85%	0.853	80%	0.798	S	S	*	*			trans	-145.5	29.9	166.1	-148.4	58.4	0	0	0	117	K148	L146-K148 PolarHBondContact O-N 2.79Å
147	E	30.1	Very low	28.2	Very low	189 Å²	189	160.4 Å²	160.4	88%	0.883	80%	0.802	S	S	*	*			trans	-70.4	90	145.4	-76.9	-148.9	133.3	0	0	109.1
148	K	28.5	Very low	28	Very low	175 Å²	175	157.8 Å²	157.8	76%	0.761	80%	0.798	S	S	*	*			trans	-154.7	111.3	157.1	-111.5	146.3	-167.7	166.7	0	111.4	L146	L146-K148 PolarHBondContact O-N 2.79Å
149	N	27.4	Very low	27.9	Very low	144 Å²	144	160.1 Å²	160.1	77%	0.77	81%	0.805	S	S	*	*			trans	68.5	59.4	160.3	-51.9	-13.8	0	0	0	116.5	E151	N149-E151 PolarHBondContact O-N 2.92Å
150	K	27.4	Very low	27.8	Very low	214 Å²	214	155.5 Å²	155.5	93%	0.93	80%	0.798	S	S	*	*				-70	81.9	129.4	-83.6	-174.4	178.2	174	0	108.6
151	E	28.9	Very low	27.2	Very low	174 Å²	174	156.4 Å²	156.4	81%	0.813	80%	0.801	S	S	*	*			trans	-161.9	166.8	158.6	-121.9	171.8	-146	0	0	110.8	N149	N149-E151 PolarHBondContact O-N 2.92Å
152	I	29.7	Very low	27	Very low	161 Å²	161	156.5 Å²	156.5	83%	0.826	80%	0.799	S	S	*	*			trans	70.8	61.5	-165	-42.3	173.6	0	0	0	112.4
153	Q	32.4	Very low	26.9	Very low	198 Å²	198	159.9 Å²	159.9	93%	0.925	80%	0.804	S	S	*	*			trans	-130.3	36.6	158.2	-130.1	-170.9	8.1	0	0	114
154	D	26.2	Very low	26.8	Very low	140 Å²	140	155.7 Å²	155.7	75%	0.749	79%	0.794	S	S	*	*			trans	-150.4	129.1	150.2	-157	-16	0	0	0	111.4
155	K	29.5	Very low	26.7	Very low	181 Å²	181	156.4 Å²	156.4	79%	0.787	80%	0.798	S	S	*	*			trans	-156.9	97.6	158.3	-86	-147.3	174.1	-178.7	0	110.9
156	H	25.4	Very low	26.7	Very low	161 Å²	161	160.7 Å²	160.7	75%	0.745	80%	0.799	S	S	*	*			trans	73.6	100.6	151.5	-63.8	-80.1	0	0	0	119.8
157	L	28.3	Very low	26.6	Very low	152 Å²	152	158.5 Å²	158.5	80%	0.796	79%	0.792	S	S	*	*			trans	-66.6	166.2	141.9	-172	64.8	0	0	0	111.4
158	T	24.1	Very low	26.2	Very low	111 Å²	111	157 Å²	157	68%	0.681	79%	0.789	S	S	*	*			trans	80.4	148	177.5	78	0	0	0	0	113.8
159	Q	25.7	Very low	26	Very low	177 Å²	177	154.9 Å²	154.9	83%	0.827	79%	0.785	S	S	*	*			cis	-134.3	126.1	23.5	-91.4	178.4	-22.7	0	0	115.6
160	T	22.6	Very low	25.8	Very low	113 Å²	113	154.4 Å²	154.4	69%	0.693	79%	0.787	S	S	*	*				59.7	123.2	106.2	-45.7	0	0	0	0	122.9
161	V	23.7	Very low	25.6	Very low	122 Å²	122	151.5 Å²	151.5	74%	0.739	78%	0.777	S	S	*	*			trans	85.7	111.9	145.5	158.7	0	0	0	0	122.8
162	F	24.9	Very low	25.4	Very low	186 Å²	186	152.6 Å²	152.6	82%	0.816	77%	0.774	S	S	*	*				20.5	128.7	125	-98.4	-96.1	0	0	0	120.7
163	F	24.4	Very low	25.1	Very low	205 Å²	205	151.4 Å²	151.4	90%	0.899	77%	0.765	S	S	*	*				-141.1	152.7	123.6	-111.3	-82	0	0	0	109.7
164	G	23.5	Very low	24.7	Very low	56 Å²	56	148.8 Å²	148.8	58%	0.577	76%	0.757	S	S	*	*			trans	-151.2	154.9	172.8	0	0	0	0	0	110.5
165	N	24.4	Very low	24.6	Very low	163 Å²	163	147.4 Å²	147.4	87%	0.872	75%	0.753	S	S	*	*			trans	-152.8	170	172.2	-111.4	-32.4	0	0	0	112.6
166	K	27.2	Very low	24.3	Very low	190 Å²	190	148.9 Å²	148.9	83%	0.826	76%	0.76	S	S	*	*			trans	-106.5	154.5	-159	-64.9	174.1	179.6	170.8	0	114.9
167	T	23.2	Very low	24.2	Very low	117 Å²	117	144.8 Å²	144.8	72%	0.718	76%	0.762	S	S	*	*			trans	18.6	133.7	135.4	-40.6	0	0	0	0	120.9
168	L	23.7	Very low	24.1	Very low	156 Å²	156	147 Å²	147	82%	0.817	77%	0.765	S	S	*	*			trans	-175	124.9	132.1	-91.3	167.7	0	0	0	106.5
169	I	23.6	Very low	24	Very low	132 Å²	132	146.7 Å²	146.7	68%	0.677	76%	0.763	S	S	*	*				68.2	102.1	68.7	-55.5	-178.4	0	0	0	115.4
170	T	23.8	Very low	23.8	Very low	134 Å²	134	146.3 Å²	146.3	82%	0.822	77%	0.766	S	S	*	*			trans	170.9	132	137.1	33.9	0	0	0	0	106.9
171	E	23	Very low	23.8	Very low	153 Å²	153	147 Å²	147	72%	0.715	77%	0.765	S	S	*	*				84.6	118.7	53.5	-91.3	-152.8	-139.2	0	0	116.4
172	R	23.5	Very low	23.9	Very low	196 Å²	196	149.8 Å²	149.8	74%	0.74	78%	0.775	S	S	*	*			trans	64.5	157.2	156.3	-58.6	176.1	104.1	127.3	-1.9	116.8
173	E	23.7	Very low	23.8	Very low	136 Å²	136	144.3 Å²	144.3	64%	0.636	77%	0.771	S	S	*	*			cis	-149	135.8	-12.4	-115.3	163.3	-165.3	0	0	105.9
174	N	24.8	Very low	23.8	Very low	143 Å²	143	142.4 Å²	142.4	77%	0.765	77%	0.767	S	S	*	*				79.6	161.3	88.2	-161.4	17.1	0	0	0	115.5
175	V	23.8	Very low	23.7	Very low	111 Å²	111	148 Å²	148	67%	0.673	78%	0.784	S	S	*	*			trans	84.4	108.9	167.3	-173.3	0	0	0	0	119.4
176	F	23.1	Very low	23.7	Very low	212 Å²	212	144.2 Å²	144.2	93%	0.93	77%	0.77	S	S	*	*			trans	40.8	156.4	140.4	-88.8	-111.1	0	0	0	124.3
177	G	23.2	Very low	23.4	Very low	76 Å²	76	141.6 Å²	141.6	78%	0.784	77%	0.769	S	S	*	*			trans	145.3	97.5	144.3	0	0	0	0	0	116.2
178	K	25.5	Very low	23.7	Very low	197 Å²	197	141.8 Å²	141.8	86%	0.857	77%	0.773	S	S	*	*			trans	-85	162.1	171.8	-66.6	176.1	176.8	174.3	0	112.2
179	T	22	Very low	23.6	Very low	105 Å²	105	139.5 Å²	139.5	64%	0.644	77%	0.77	S	S	*	*			trans	80.8	118.8	147.7	0.5	0	0	0	0	119.3	N181	T179-N181 HydrophobicContact CG2-CB 4.19Å
180	L	23.3	Very low	23.5	Very low	169 Å²	169	145.3 Å²	145.3	89%	0.885	78%	0.783	S	S	*	*				-156.7	132.8	105.3	-89.8	166.3	0	0	0	105.7
181	N	22.4	Very low	23.4	Very low	127 Å²	127	148.2 Å²	148.2	68%	0.679	79%	0.785	S	S	*	*			cis	74.6	81.5	26.2	-81.1	1.7	0	0	0	117.2	T179	T179-N181 HydrophobicContact CG2-CB 4.19Å
182	L	25.4	Very low	23.4	Very low	182 Å²	182	149.5 Å²	149.5	95%	0.953	79%	0.793	S	S	*	*			trans	-133.5	154.8	135.7	-73.7	174	0	0	0	107
183	G	22.7	Very low	24	Very low	70 Å²	70	143.8 Å²	143.8	72%	0.722	78%	0.781	S	S	*	*			cis	-174.8	123.8	-4	0	0	0	0	0	108.1
184	M	23.2	Very low	24	Very low	166 Å²	166	146.7 Å²	146.7	82%	0.818	79%	0.788	S	S	*	*			trans	-70.7	155	-168.8	-64.7	161.1	58.1	0	0	113.5
185	N	23	Very low	23.8	Very low	173 Å²	173	148.9 Å²	148.9	93%	0.925	79%	0.79	S	S	*	*			trans	-133.9	144.9	146	-96.5	-38.7	0	0	0	108
186	S	23.8	Very low	23.6	Very low	84 Å²	84	148.7 Å²	148.7	59%	0.587	79%	0.793	S	S	*	*			trans	-149	138.1	-156.1	58.6	0	0	0	0	115.4
187	V	21.9	Very low	23.7	Very low	134 Å²	134	145.5 Å²	145.5	81%	0.812	79%	0.785	S	S	*	*			trans	73.5	143.1	147.6	167	0	0	0	0	113.2
188	P	27.4	Very low	24.4	Very low	122 Å²	122	147.7 Å²	147.7	79%	0.792	79%	0.786	S	S	*	*			cis	-132.3	166	39	35.5	-15.3	0	0	0	119.6
189	S	22.3	Very low	24.1	Very low	108 Å²	108	142.2 Å²	142.2	76%	0.755	79%	0.785	S	S	*	*			trans	-69.8	154	175.2	-48.9	0	0	0	0	114.5
190	R	22.5	Very low	24.2	Very low	254 Å²	254	145 Å²	145	96%	0.958	79%	0.791	S	S	*	*			trans	-148.3	152.1	138.6	-105.5	177.8	-166.9	-144.8	2	110.8
191	K	20.4	Very low	24.2	Very low	195 Å²	195	143.3 Å²	143.3	85%	0.848	78%	0.783	S	S	*	*			trans	-125.8	130.8	177.9	-68.3	177.8	177.4	177.1	0	109.9
192	M	23.6	Very low	24.1	Very low	179 Å²	179	141.7 Å²	141.7	88%	0.882	78%	0.782	S	S	*	*			trans	56.3	-172.4	149.5	-79	-86.1	163.2	0	0	116.3
193	P	36.2	Very low	24	Very low	77 Å²	77	139.4 Å²	139.4	50%	0.5	77%	0.769	S	S	.	*			cis	-114.4	-177.6	-26.6	12.4	13.2	0	0	0	110.6
194	Y	22.8	Very low	23.9	Very low	197 Å²	197	145.3 Å²	145.3	77%	0.773	78%	0.775	S	S	*	*				176.5	171.1	71.2	-81.3	-68.2	0	0	0	107.8
195	K	21.6	Very low	23.8	Very low	189 Å²	189	143.1 Å²	143.1	82%	0.822	77%	0.771	S	S	*	*			cis	-149.8	176.2	-0.6	-136.5	164.5	-172.2	179.7	0	109.7
196	C	20	Very low	23.7	Very low	107 Å²	107	142 Å²	142	72%	0.723	77%	0.765	S	S	*	*			trans	-142.5	-176.3	175.5	-162.1	0	0	0	0	110.1
197	N	24.3	Very low	23.6	Very low	144 Å²	144	142.4 Å²	142.4	77%	0.77	77%	0.768	S	S	*	*			trans	80.1	160.8	164.8	-59.3	1.4	0	0	0	117.1
198	P	37.5	Very low	23.7	Very low	123 Å²	123	143.9 Å²	143.9	80%	0.799	77%	0.766	S	S	*	*			cis	-119.8	170.7	1.1	23.1	-0.3	0	0	0	115.9
199	G	20.5	Very low	23.3	Very low	82 Å²	82	143.2 Å²	143.2	85%	0.845	76%	0.759	S	S	*	*			trans	173.3	89	178.3	0	0	0	0	0	109.2
200	E	23.2	Very low	23.3	Very low	163 Å²	163	145 Å²	145	76%	0.762	76%	0.759	S	S	*	*			trans	-89.5	148.3	-153.9	-67.3	-168.6	115.4	0	0	116.6
201	N	23.1	Very low	23.3	Very low	134 Å²	134	139.5 Å²	139.5	72%	0.717	75%	0.754	S	S	*	*			trans	58	149.8	134.6	-60.8	-24.4	0	0	0	120.2
202	S	21.4	Very low	23.5	Very low	93 Å²	93	134.3 Å²	134.3	65%	0.65	75%	0.747	S	S	*	*			cis	-162	167.8	6.7	-132.6	0	0	0	0	115
203	L	22.4	Very low	23.4	Very low	133 Å²	133	136 Å²	136	70%	0.696	75%	0.749	S	S	*	*			trans	65.1	105.3	148.1	-68	166.6	0	0	0	123.2
204	K	20.6	Very low	22.9	Very low	195 Å²	195	142.1 Å²	142.1	85%	0.848	77%	0.768	S	S	*	*				57.9	152.8	114.4	-69.5	-174.5	-174.4	174.5	0	123.1
205	T	22.1	Very low	23	Very low	120 Å²	120	138 Å²	138	74%	0.736	77%	0.768	S	S	*	*			trans	-82.2	155.1	173.8	54.3	0	0	0	0	113.2
206	N	20.8	Very low	23.1	Very low	149 Å²	149	138.5 Å²	138.5	80%	0.797	77%	0.77	S	S	*	*				179.9	175.8	117.7	-92.2	6.7	0	0	0	113.8
207	S	21.7	Very low	23.3	Very low	92 Å²	92	141.1 Å²	141.1	64%	0.643	77%	0.772	S	S	*	*			trans	-62.7	173.3	169.4	53.2	0	0	0	0	113.1
208	E	22.6	Very low	23.2	Very low	166 Å²	166	139.5 Å²	139.5	78%	0.776	76%	0.763	S	S	*	*			cis	-167.5	-175.7	17.5	-140.7	158.9	-112.9	0	0	112.9
209	V	20.6	Very low	22.6	Very low	107 Å²	107	144 Å²	144	65%	0.648	77%	0.765	S	S	*	*			trans	74.3	111.2	146.2	162.1	0	0	0	0	122.8
210	I	22.2	Very low	22.7	Very low	147 Å²	147	149.8 Å²	149.8	75%	0.754	77%	0.766	S	S	*	*			trans	40.2	125	131.8	-35.3	169.4	0	0	0	121.4
211	V	21.6	Very low	23	Very low	138 Å²	138	148.5 Å²	148.5	84%	0.836	76%	0.763	S	S	*	*				170.5	145	116.4	158.2	0	0	0	0	110.5
212	A	23.8	Very low	23.3	Very low	86 Å²	86	147.6 Å²	147.6	71%	0.711	76%	0.764	S	S	*	*			trans	-106.9	162.4	-178.2	0	0	0	0	0	113.7
213	K	23.4	Very low	23.4	Very low	213 Å²	213	149.2 Å²	149.2	93%	0.926	77%	0.766	S	S	*	*			trans	-159.9	173.1	145.5	-109.9	158.1	-169.2	178.2	0	112.7
214	K	25	Very low	23.5	Very low	206 Å²	206	150.7 Å²	150.7	90%	0.896	77%	0.769	S	S	*	*			trans	-119.4	143.8	-160.6	-54.9	169.1	179.2	173.2	0	113.8
215	S	23.8	Very low	23.6	Very low	111 Å²	111	150.6 Å²	150.6	78%	0.776	77%	0.765	S	S	*	*			trans	-164.5	130.4	140.9	37.2	0	0	0	0	106.7
216	K	25	Very low	23.7	Very low	199 Å²	199	149.4 Å²	149.4	87%	0.865	76%	0.762	S	S	*	*				55.1	122.8	65.9	-75.7	-166.4	172.1	-171.3	0	110.8
217	E	23.4	Very low	23.8	Very low	163 Å²	163	145.6 Å²	145.6	76%	0.762	76%	0.758	S	S	*	*			cis	-146.5	165.9	47.1	-73.9	-162.2	88.5	0	0	117.3
218	N	22.9	Very low	23.9	Very low	110 Å²	110	151.8 Å²	151.8	59%	0.588	77%	0.773	S	S	*	*			trans	18.5	151.9	132.6	-58.2	-51.5	0	0	0	120.8
219	R	24.4	Very low	24	Very low	218 Å²	218	147.8 Å²	147.8	82%	0.823	78%	0.776	S	S	*	*			cis	-172.2	148.4	-9	-109.2	175.4	-164.5	-160.2	3.6	108.2
220	K	23.7	Very low	24.2	Very low	203 Å²	203	152.4 Å²	152.4	88%	0.883	79%	0.788	S	S	*	*				160.1	130.5	125.8	-89.6	175.6	-179	-178.1	0	112.2
221	I	27.8	Very low	24.8	Very low	136 Å²	136	150.9 Å²	150.9	70%	0.697	79%	0.787	S	S	*	*			trans	-114.5	147.5	157.4	-54.9	168	0	0	0	104.6
222	P	29.9	Very low	24.8	Very low	114 Å²	114	151.3 Å²	151.3	74%	0.74	78%	0.784	S	S	*	*				-118.8	148	105.1	-5.4	26.6	0	0	0	111.1
223	D	24.1	Very low	24.9	Very low	128 Å²	128	154.2 Å²	154.2	68%	0.684	79%	0.787	S	S	*	*			cis	71.9	132.3	45.7	-50.7	-39.1	0	0	0	112.1
224	E	23.9	Very low	24.9	Very low	163 Å²	163	151.1 Å²	151.1	76%	0.762	78%	0.776	S	S	*	*			cis	-147.1	-155.1	-11.5	-121	-166.2	130	0	0	108.1
225	Y	22.5	Very low	24.9	Very low	193 Å²	193	146.2 Å²	146.2	76%	0.757	76%	0.763	S	S	*	*			cis	-157.5	-151	14.6	-160.6	-139.8	0	0	0	112.3
226	S	24.6	Very low	24.9	Very low	96 Å²	96	150.5 Å²	150.5	67%	0.671	77%	0.767	S	S	*	*			trans	-62.3	169.1	177.4	62.7	0	0	0	0	116.9
227	G	22.7	Very low	24.8	Very low	69 Å²	69	148.8 Å²	148.8	71%	0.711	76%	0.762	S	S	*	*			cis	165.5	-178.8	-1.7	0	0	0	0	0	114.7
228	F	25.1	Very low	24.8	Very low	222 Å²	222	147.6 Å²	147.6	97%	0.974	76%	0.757	S	S	*	*			trans	17.1	124.7	169	-73.4	-90.6	0	0	0	122.3
229	G	23.8	Very low	25.1	Very low	81 Å²	81	150 Å²	150	84%	0.835	76%	0.762	S	S	*	*			trans	-170.4	112.2	162.4	0	0	0	0	0	116.1
230	K	24.6	Very low	25	Very low	205 Å²	205	144.3 Å²	144.3	89%	0.891	76%	0.755	S	S	*	*			trans	-116.4	148.3	158.1	-86.3	-177.5	179.5	177.3	0	105.7
231	P	34.3	Very low	25.1	Very low	115 Å²	115	143.3 Å²	143.3	75%	0.747	75%	0.753	S	S	*	*				-156.5	170.9	63.6	42.7	-21.6	0	0	0	119.5
232	L	23.1	Very low	24.9	Very low	147 Å²	147	142.7 Å²	142.7	77%	0.77	76%	0.762	S	S	*	*			trans	19.7	125.3	141.1	-61.8	165.9	0	0	0	122.9
233	L	24	Very low	24.6	Very low	146 Å²	146	141.3 Å²	141.3	76%	0.764	77%	0.768	S	S	*	*				79.3	142.1	126	-67.3	174.6	0	0	0	123.9
234	H	23.7	Very low	24.6	Very low	149 Å²	149	143.2 Å²	143.2	69%	0.69	77%	0.774	S	S	*	*			trans	90	92.2	140.6	-103.5	-83	0	0	0	123.7
235	T	25.3	Very low	24.6	Very low	103 Å²	103	143.7 Å²	143.7	63%	0.632	77%	0.774	S	S	*	*				72	141.3	128.6	47.6	0	0	0	0	124.2
236	K	23.7	Very low	24.6	Very low	200 Å²	200	141.9 Å²	141.9	87%	0.87	78%	0.777	S	S	*	*			trans	69.8	164.6	160.8	-66	165.2	-177.5	179.6	0	116.4
237	H	23.6	Very low	24.5	Very low	164 Å²	164	147.3 Å²	147.3	76%	0.759	79%	0.785	S	S	*	*			cis	-175.2	154.2	-45.2	-157.9	-100.1	0	0	0	105.6
238	E	23.5	Very low	24.4	Very low	138 Å²	138	155.9 Å²	155.9	65%	0.645	80%	0.795	S	S	*	*			trans	68.2	155.7	176.8	-46.8	-146	134.2	0	0	115.6
239	K	28.5	Very low	24.2	Very low	160 Å²	160	155.5 Å²	155.5	70%	0.696	79%	0.789	S	S	*	*			cis	-161.7	170.7	-21.5	-114	171.8	-174.3	151.3	0	109.6
240	S	23.8	Very low	24.2	Very low	98 Å²	98	158.5 Å²	158.5	69%	0.685	79%	0.786	S	S	*	*			trans	66.8	100.8	149.6	-63.4	0	0	0	0	122.1
241	H	25.5	Very low	25.3	Very low	182 Å²	182	153 Å²	153	84%	0.843	77%	0.772	S	S	*	*				69.3	137.4	118.3	-85.6	-84	0	0	0	124.7
242	S	22	Very low	24.7	Very low	124 Å²	124	155 Å²	155	87%	0.867	77%	0.773	S	S	*	*			trans	85.7	145.4	146.5	78.7	0	0	0	0	118.7
243	G	24.6	Very low	25.1	Very low	84 Å²	84	158.5 Å²	158.5	87%	0.866	78%	0.776	S	S	*	*			trans	135.2	59.6	-169.7	0	0	0	0	0	112.7
244	M	23.7	Very low	25.1	Very low	168 Å²	168	161 Å²	161	83%	0.828	78%	0.78	S	S	*	*			trans	-118.5	154.5	-176.9	-164.3	-170.3	-170.8	0	0	111.1
245	K	25.1	Very low	25.2	Very low	174 Å²	174	158.5 Å²	158.5	76%	0.757	79%	0.785	S	S	*	*			trans	84.6	148.5	178.4	-50.6	171.5	-176.2	176.6	0	112.3
246	N	22.3	Very low	25.3	Very low	154 Å²	154	158.7 Å²	158.7	82%	0.824	79%	0.791	S	S	*	*			cis	-126.3	163.8	23	-92.5	-58.9	0	0	0	116.4
247	Y	21.3	Very low	25.4	Very low	210 Å²	210	154.6 Å²	154.6	82%	0.824	78%	0.779	S	S	*	*			trans	-73.8	162.3	172.8	-84	-117.1	0	0	0	112.9
248	R	21.2	Very low	25.5	Very low	249 Å²	249	153.6 Å²	153.6	94%	0.94	77%	0.774	S	S	*	*				-162.1	115.4	124.6	-109.2	175.1	-164.4	-169.7	5.4	113.2
249	Y	20.8	Very low	25.6	Very low	214 Å²	214	154.3 Å²	154.3	84%	0.839	78%	0.783	S	S	*	*			trans	-153.1	144.6	140.1	-147.3	-92.7	0	0	0	109.8
250	N	24.6	Very low	25.6	Very low	144 Å²	144	154.1 Å²	154.1	77%	0.77	78%	0.784	S	S	*	*			trans	-159.7	164.2	176.2	-121.7	0.4	0	0	0	109.2
251	P	46.5	Very low	25.7	Very low	91 Å²	91	154.7 Å²	154.7	59%	0.591	79%	0.788	S	S	*	*				-138.3	-178.6	-125.3	39.8	-19.8	0	0	0	115.9
252	M	22	Very low	25.8	Very low	157 Å²	157	152.7 Å²	152.7	77%	0.773	78%	0.783	S	S	*	*			trans	-134.4	120.3	154.3	-78.6	-65.2	157.5	0	0	107.7
253	R	30.7	Very low	26	Very low	219 Å²	219	154.5 Å²	154.5	83%	0.826	78%	0.781	S	S	*	*				59	131.3	88.4	-67.5	-168.9	175.8	-169.1	-3	112.5
254	K	25.8	Very low	26	Very low	199 Å²	199	158 Å²	158	87%	0.865	78%	0.779	S	S	*	*			cis	-123.9	144.5	21	-60.9	170.3	-176.4	175.6	0	109.5
255	A	24.2	Very low	26.1	Very low	96 Å²	96	157.1 Å²	157.1	79%	0.793	77%	0.773	S	S	*	*				58	126.6	62.9	0	0	0	0	0	112.3
256	S	27.5	Very low	26.1	Very low	107 Å²	107	157.2 Å²	157.2	75%	0.748	78%	0.776	S	S	*	*			cis	-152.7	-179.4	9.8	67.1	0	0	0	0	109.9
257	N	25.6	Very low	26.2	Very low	115 Å²	115	155.8 Å²	155.8	62%	0.615	77%	0.768	S	S	*	*			cis	-152.3	153.3	6	-137.3	16.5	0	0	0	110.3
258	Q	25.7	Very low	26.5	Very low	142 Å²	142	153 Å²	153	66%	0.664	77%	0.766	S	S	*	*				46.4	136.3	107.1	-64.2	174.4	-11.1	0	0	117.5
259	N	26.2	Very low	26.7	Very low	154 Å²	154	148.4 Å²	148.4	82%	0.824	76%	0.755	S	S	*	*			cis	-115.6	159.1	20.6	-91.3	-29.2	0	0	0	116.3
260	E	29.1	Very low	26.9	Very low	156 Å²	156	144.5 Å²	144.5	73%	0.729	75%	0.747	S	S	*	*			trans	-87.8	172.6	176.3	-57.4	163.6	123.5	0	0	110.3
261	S	25.2	Very low	26.9	Very low	110 Å²	110	145.5 Å²	145.5	77%	0.769	75%	0.752	S	S	*	*				-167.5	114.9	75.2	-173.2	0	0	0	0	108.7
262	L	27.9	Very low	26.1	Very low	140 Å²	140	150.2 Å²	150.2	73%	0.733	76%	0.763	S	S	*	*				64.8	106	91.2	-91.9	163	0	0	0	114.9
263	I	25.5	Very low	26.2	Very low	162 Å²	162	151.3 Å²	151.3	83%	0.831	77%	0.766	S	S	*	*			trans	-90.3	123.4	163.8	-63.6	173.5	0	0	0	107.7
264	L	25.7	Very low	26.1	Very low	157 Å²	157	146 Å²	146	82%	0.822	76%	0.76	S	S	*	*			trans	-93.2	142.4	171.5	-174.4	62.3	0	0	0	110.7
265	H	24.8	Very low	26	Very low	150 Å²	150	146.9 Å²	146.9	69%	0.694	77%	0.765	S	S	*	*			trans	-108.4	135	-179	-145.1	-89.4	0	0	0	110.3	N267	H265-N267 PolarHBondContact ND1-OD1 2.85Å
266	Q	25.8	Very low	26.1	Very low	175 Å²	175	149.9 Å²	149.9	82%	0.818	77%	0.767	S	S	*	*			trans	-134.5	165.7	164.7	-76.7	-170.2	-20.9	0	0	109.9
267	N	25.2	Very low	26.1	Very low	124 Å²	124	154.3 Å²	154.3	66%	0.663	77%	0.769	S	S	*	*			trans	-132.8	162.6	-146.1	-70.1	-32.6	0	0	0	114.2	H265	H265-N267 PolarHBondContact ND1-OD1 2.85Å
268	I	26	Very low	26.4	Very low	151 Å²	151	154.7 Å²	154.7	77%	0.774	77%	0.771	S	S	*	*			trans	71.4	138.1	152.2	-71	155.6	0	0	0	115.7
269	Q	25.8	Very low	26.8	Very low	153 Å²	153	158.3 Å²	158.3	72%	0.715	78%	0.784	S	S	*	*			cis	-157.9	161.9	-13	-116	-170.8	4.5	0	0	112.3
270	I	25.5	Very low	27.2	Very low	132 Å²	132	157 Å²	157	68%	0.677	79%	0.786	S	S	*	*			trans	42.5	119.8	145.5	-61	172.8	0	0	0	120.1
271	L	24.6	Very low	27.6	Very low	166 Å²	166	152 Å²	152	87%	0.869	78%	0.777	S	S	*	*				-152.1	161.7	119.3	-113.1	173	0	0	0	111.6
272	K	30.1	Very low	28	Very low	189 Å²	189	155.8 Å²	155.8	82%	0.822	78%	0.779	S	S	*	*			trans	-87.9	137.7	-176.8	-56.3	168.6	-178.5	171.9	0	111
273	Q	24.3	Very low	28.1	Very low	180 Å²	180	154.8 Å²	154.8	84%	0.841	78%	0.779	S	S	*	*			trans	-174.2	166.3	151.8	-92.8	-49.8	-12.9	0	0	107.3
274	P	28.8	Very low	28.5	Very low	108 Å²	108	156 Å²	156	70%	0.701	78%	0.779	S	S	*	*			trans	-74	163.9	-168.7	29.6	-36.7	0	0	0	115.1	D276	P274-D276 PolarHBondContact O-N 3.35Å
275	F	23.3	Very low	28.8	Very low	218 Å²	218	157.3 Å²	157.3	96%	0.956	78%	0.778	S	S	*	*			trans	-73.1	103.5	-179.5	-108.4	-98.6	0	0	0	112
276	D	26.6	Very low	29	Very low	159 Å²	159	159.9 Å²	159.9	85%	0.85	79%	0.787	S	S	*	*			trans	-84	131.1	178	-152	-9.7	0	0	0	111.8	P274 N278	P274-D276 PolarHBondContact O-N 3.35Å; D276-N278 PolarHBondContact O-N 3.03Å
277	Y	26.8	Very low	29.2	Very low	200 Å²	200	162.9 Å²	162.9	78%	0.784	79%	0.791	S	S	*	*			trans	-93	100.3	-175.6	-177	-86.3	0	0	0	109.9
278	N	32.2	Very low	29.5	Very low	122 Å²	122	160.7 Å²	160.7	65%	0.652	79%	0.79	S	S	*	*			trans	168.8	107.8	144.8	-96.1	-58.1	0	0	0	113.4	D276	D276-N278 PolarHBondContact O-N 3.03Å
279	K	34	Very low	29.9	Very low	218 Å²	218	160.9 Å²	160.9	95%	0.948	79%	0.791	S	S	*	*	S	Bend	trans	-146	35.7	162.6	-138.4	169.7	-172.1	173.5	0	116.7
280	C	33.3	Very low	30.2	Very low	126 Å²	126	161.3 Å²	161.3	85%	0.851	80%	0.798	S	S	*	*	S	Bend	trans	-143.1	52.4	161.8	-158.9	0	0	0	0	111.9
281	G	37.9	Very low	30.3	Very low	52 Å²	52	161.6 Å²	161.6	54%	0.536	81%	0.805	S	S	.	*	S	Bend	trans	-148.1	-0.7	-177	0	0	0	0	0	116.6
282	K	33.5	Very low	30.6	Very low	190 Å²	190	160 Å²	160	83%	0.826	80%	0.803	S	S	*	*	S	Bend	trans	-122.8	9.6	-174.7	-68.7	-174.3	175.9	178.6	0	115.1
283	T	31.1	Very low	30.6	Very low	119 Å²	119	158.2 Å²	158.2	73%	0.73	80%	0.797	S	S	*	*	S	Bend	trans	-101.1	-8.3	174.6	43.9	0	0	0	0	114.3
284	F	32.8	Very low	30.9	Very low	187 Å²	187	158.8 Å²	158.8	82%	0.82	80%	0.797	S	S	*	*	S	Bend	trans	-91.7	-22.5	-178.9	-113.6	-90	0	0	0	114.8
285	F	31.8	Very low	30.9	Very low	185 Å²	185	157.2 Å²	157.2	81%	0.811	80%	0.8	S	S	*	*	S	Bend	trans	-92.9	-21	-178.5	-97.1	-86.8	0	0	0	115	R287	F285-R287 VanDerWaalsContact C-N 3.27Å; F285-R287 PolarHBondContact O-N 3.07Å
286	K	29.5	Very low	31.4	Very low	204 Å²	204	158.3 Å²	158.3	89%	0.887	80%	0.798	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86	19.2	175.9	-80.7	-161.5	172.1	-169.4	0	114.8
287	R	29.7	Very low	31.7	Very low	237 Å²	237	159 Å²	159	89%	0.894	80%	0.797	S	S	*	*	T	Hydrogen-bonded Turn	trans	-126	11.6	171.8	-152	171.7	-177.3	155.2	2.9	113.7	F285	F285-R287 VanDerWaalsContact C-N 3.27Å; F285-R287 PolarHBondContact O-N 3.07Å
288	A	31	Very low	31.9	Very low	79 Å²	79	154.1 Å²	154.1	65%	0.653	79%	0.788	S	S	*	*	S	Bend	trans	-94.2	-16.4	178.4	0	0	0	0	0	113.9
289	I	34.3	Very low	32.2	Very low	154 Å²	154	158 Å²	158	79%	0.79	80%	0.801	S	S	*	*	S	Bend	trans	-129.5	83	179	-53.4	176.8	0	0	0	108.4
290	L	33.3	Very low	32.7	Very low	162 Å²	162	158.1 Å²	158.1	85%	0.848	80%	0.796	S	S	*	*	S	Bend	trans	171.6	59.6	155.5	-98.8	166.7	0	0	0	112.7
291	V	28.4	Very low	33.4	Very low	138 Å²	138	161 Å²	161	84%	0.836	79%	0.794	S	S	*	*			trans	-148.8	92.1	145.9	-174.7	0	0	0	0	108.6
292	T	30	Very low	34.3	Very low	134 Å²	134	163.3 Å²	163.3	82%	0.822	80%	0.799	S	S	*	*			trans	-132.6	72.6	171.2	36.1	0	0	0	0	111
293	Q	30	Very low	36	Very low	150 Å²	150	155.7 Å²	155.7	70%	0.701	77%	0.768	S	S	*	*	S	Bend	trans	-175.9	147.9	136.6	-104.8	-179.9	43.7	0	0	113.1
294	K	30.2	Very low	37.9	Very low	193 Å²	193	154.5 Å²	154.5	84%	0.839	75%	0.754	S	S	*	*			trans	61.3	110.5	160.1	-63	163	-176.5	168.1	0	116.8
295	G	28.6	Very low	40.1	Very low	75 Å²	75	145.6 Å²	145.6	77%	0.773	72%	0.715	S	S	*	*			trans	-169.8	-26.7	177.6	0	0	0	0	0	120.3
296	R	33.7	Very low	42.2	Very low	240 Å²	240	141.5 Å²	141.5	91%	0.906	71%	0.71	S	S	*	*			trans	63	135.3	179.8	-78.5	-175.3	173.9	-175.8	-0.8	117.6
297	Q	33	Very low	44.4	Very low	175 Å²	175	137 Å²	137	82%	0.818	69%	0.692	S	S	*	*			trans	62.2	121.9	161.3	-55.6	-68	3.5	0	0	116.9
298	T	31	Very low	46.8	Very low	97 Å²	97	127.4 Å²	127.4	60%	0.595	66%	0.661	S	S	*	*			cis	-141.5	144.4	3	47.2	0	0	0	0	109.8
299	E	38.9	Very low	48.8	Very low	202 Å²	202	130.9 Å²	130.9	94%	0.944	66%	0.657	S	S	*	*			trans	-73.9	125.9	167.9	-67.2	-174.2	167.5	0	0	110.6
300	R	44.2	Very low	50.6	Low	222 Å²	222	129.7 Å²	129.7	84%	0.838	65%	0.646	S	S	*	*			trans	-111.5	110.1	168.2	-71.6	-173.6	174.8	-169.6	-2.2	108.8
301	K	48.2	Very low	52.3	Low	187 Å²	187	126.5 Å²	126.5	81%	0.813	63%	0.633	S	S	*	*			trans	-45.7	134.2	172	-76.4	-172.7	173.1	-176	0	110.3	N303	K301-N303 PolarHBondContact O-N 3Å
302	P	57.2	Low	54.9	Low	99 Å²	99	122.3 Å²	122.3	64%	0.643	60%	0.604	S	S	*	*			trans	-52.4	134.7	171.7	-25.6	34.6	0	0	0	110.3	E304 T311	P302-E304 VanDerWaalsContact C-N 3.26Å; P302-E304 PolarHBondContact O-N 3.25Å; P302-T311 HydrophobicContact CB-CG2 4.31Å
303	N	70.1	Confident	57	Low	31 Å²	31	121.3 Å²	121.3	17%	0.166	60%	0.602	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-86.4	79	175.7	-62.5	-94.3	0	0	0	107.4	K301 F312 R315 L318	K301-N303 PolarHBondContact O-N 3Å; N303-F312 HydrophobicContact CB-CB 4.29Å; N303-F312 WeakPolarHBondContact CB-O 3.23Å; N303-F312 PolarHBondContact N-O 2.87Å; N303-F312 WeakPolarHBondContact O-CB 3.44Å; N303-F312 WeakPolarHBondContact O-CD2 3.34Å; N303-F312 PolarHBondContact O-N 3.27Å; N303-R315 VanDerWaalsContact OD1-CA 3.23Å; N303-R315 WeakPolarHBondContact OD1-CA 3.45Å; N303-R315 WeakPolarHBondContact OD1-CB 3.36Å; N303-R315 WeakPolarHBondContact OD1-CG 3.47Å; N303-L318 HydrophobicContact CB-CB 3.91Å; N303-L318 HydrophobicContact CB-CD2 3.83Å; N303-L318 HydrophobicContact CB-CG 4.49Å
304	E	70.4	Confident	59.3	Low	93 Å²	93	120.6 Å²	120.6	44%	0.435	60%	0.597	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-81.1	144.4	179.8	-165.1	-179.2	146.5	0	0	112	P302 R309 K310 T311 L318	P302-E304 VanDerWaalsContact C-N 3.26Å; P302-E304 PolarHBondContact O-N 3.25Å; E304-R309 WeakPolarHBondContact OE1-CA 3.14Å; E304-R309 VanDerWaalsContact OE1-CB 3.3Å; E304-R309 WeakPolarHBondContact OE1-CB 3.2Å; E304-R309 WeakPolarHBondContact OE1-CG 3.49Å; E304-K310 WeakPolarHBondContact CA-O 3.34Å; E304-T311 HydrophobicContact CB-CG2 4.22Å; E304-T311 HydrophobicContact CG-CG2 4.05Å; E304-L318 WeakPolarHBondContact O-CD2 3.25Å
305	C	79.8	Confident	61.5	Low	0 Å²	0	119.5 Å²	119.5	0%	0	59%	0.587	C	S	.	*			trans	-86.1	114.4	171.1	-177	0	0	0	0	111.3	E307 C308 R309 K310 F312 L318	C305-E307 PolarHBondContact O-N 3.33Å; C305-C308 PolarHBondContact O-N 2.86Å; C305-R309 VanDerWaalsContact O-CA 3.29Å; C305-R309 WeakPolarHBondContact O-CA 3.42Å; C305-R309 PolarHBondContact O-N 2.97Å; C305-K310 PolarHBondContact N-O 2.91Å; C305-F312 HydrophobicContact CB-CE2 4.37Å; C305-L318 HydrophobicContact CB-CD1 3.64Å
306	S	75.1	Confident	63.8	Low	100 Å²	100	119.4 Å²	119.4	70%	0.699	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-50.9	-28.5	176.7	47.1	0	0	0	0	115
307	E	76.2	Confident	65.9	Low	109 Å²	109	110.8 Å²	110.8	51%	0.509	55%	0.549	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-18.6	-174.1	-63.3	170.2	-93.6	0	0	114	C305 H325	C305-E307 PolarHBondContact O-N 3.33Å; E307-H325 IonicContact OE1-CD2 3.81Å; E307-H325 PolarHBondContact OE1-CD2 3.24Å; E307-H325 IonicContact OE1-CG 3.58Å; E307-H325 WeakPolarHBondContact OE2-CB 3.49Å; E307-H325 IonicContact OE2-CD2 3.7Å; E307-H325 IonicContact OE2-CG 3.52Å
308	C	79.3	Confident	68.1	Low	36 Å²	36	103 Å²	103	24%	0.243	51%	0.513	C	S	.	.	T	Hydrogen-bonded Turn	trans	-146.5	11.4	-177.9	75.6	0	0	0	0	115.7	C305 K310 H321 H325	C305-C308 PolarHBondContact O-N 2.86Å; C308-K310 PolarHBondContact O-N 2.85Å; C308-H321 PolarHBondContact SG-NE2 3Å; C308-H325 PolarHBondContact SG-NE2 2.84Å
309	R	73.1	Confident	70.3	Confident	151 Å²	151	101.7 Å²	101.7	57%	0.57	50%	0.502	S	S	*	.			trans	53.9	12.3	178.1	-54.8	-165.9	-173.1	171.9	3.7	116.6	E304 C305 T311	E304-R309 WeakPolarHBondContact OE1-CA 3.14Å; E304-R309 VanDerWaalsContact OE1-CB 3.3Å; E304-R309 WeakPolarHBondContact OE1-CB 3.2Å; E304-R309 WeakPolarHBondContact OE1-CG 3.49Å; C305-R309 VanDerWaalsContact O-CA 3.29Å; C305-R309 WeakPolarHBondContact O-CA 3.42Å; C305-R309 PolarHBondContact O-N 2.97Å; R309-T311 PolarHBondContact O-N 3.43Å
310	K	71.4	Confident	72.2	Confident	130 Å²	130	94.5 Å²	94.5	57%	0.565	47%	0.472	S	S	*	.			trans	-71.2	125	176.4	-71.2	178.5	-176.8	177.3	0	110.4	E304 C305 C308 F312	E304-K310 WeakPolarHBondContact CA-O 3.34Å; C305-K310 PolarHBondContact N-O 2.91Å; C308-K310 PolarHBondContact O-N 2.85Å; K310-F312 HydrophobicContact CB-CE2 3.82Å; K310-F312 HydrophobicContact CB-CZ 4.01Å; K310-F312 VanDerWaalsContact O-CD2 3.3Å; K310-F312 WeakPolarHBondContact O-CD2 3.37Å; K310-F312 WeakPolarHBondContact O-CE2 3.47Å
311	T	69.4	Low	73.8	Confident	95 Å²	95	85 Å²	85	58%	0.583	44%	0.437	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.2	138.6	-179.4	53.1	0	0	0	0	111.4	P302 E304 R309	P302-T311 HydrophobicContact CB-CG2 4.31Å; E304-T311 HydrophobicContact CB-CG2 4.22Å; E304-T311 HydrophobicContact CG-CG2 4.05Å; R309-T311 PolarHBondContact O-N 3.43Å
312	F	82.5	Confident	75.2	Confident	49 Å²	49	79 Å²	79	22%	0.215	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	137.6	-179.6	-63.6	-86.3	0	0	0	111.4	N303 C305 K310 K314 L318 H321	N303-F312 HydrophobicContact CB-CB 4.29Å; N303-F312 WeakPolarHBondContact CB-O 3.23Å; N303-F312 PolarHBondContact N-O 2.87Å; N303-F312 WeakPolarHBondContact O-CB 3.44Å; N303-F312 WeakPolarHBondContact O-CD2 3.34Å; N303-F312 PolarHBondContact O-N 3.27Å; C305-F312 HydrophobicContact CB-CE2 4.37Å; K310-F312 HydrophobicContact CB-CE2 3.82Å; K310-F312 HydrophobicContact CB-CZ 4.01Å; K310-F312 VanDerWaalsContact O-CD2 3.3Å; K310-F312 WeakPolarHBondContact O-CD2 3.37Å; K310-F312 WeakPolarHBondContact O-CE2 3.47Å; F312-K314 PolarHBondContact O-N 3.03Å; F312-L318 HydrophobicContact CB-CB 4.14Å; F312-L318 HydrophobicContact CD2-CB 3.96Å; F312-L318 HydrophobicContact CD2-CD1 3.84Å; F312-L318 HydrophobicContact CE2-CD1 4.14Å; F312-L318 HydrophobicContact CG-CB 4.23Å; F312-H321 HydrophobicContact CE1-CB 4.02Å; F312-H321 HydrophobicContact CE2-CB 3.87Å; F312-H321 AromaticContact CE2-CD2 3.47Å; F312-H321 VanDerWaalsContact CE2-CD2 3.47Å; F312-H321 WeakPolarHBondContact CE2-CD2 3.2Å; F312-H321 AromaticContact CE2-CG 3.58Å; F312-H321 HydrophobicContact CZ-CB 3.53Å; F312-H321 AromaticContact CZ-CD2 3.58Å; F312-H321 AromaticContact CZ-CG 3.23Å; F312-H321 AromaticContact CZ-ND1 3.53Å
313	S	74.2	Confident	76.3	Confident	114 Å²	114	76 Å²	76	80%	0.797	39%	0.388	S	S	*	.	S	Bend	trans	-69.9	-9.1	178.2	56.6	0	0	0	0	114.2
314	K	79.3	Confident	76.5	Confident	135 Å²	135	78.4 Å²	78.4	59%	0.587	40%	0.399	S	S	*	.	S	Bend	trans	-143.9	139.8	177.7	-58.3	-174.7	-177.9	-176.9	0	110.7	F312 S316 T317 L318	F312-K314 PolarHBondContact O-N 3.03Å; K314-S316 PolarHBondContact O-N 3.33Å; K314-T317 PolarHBondContact O-N 3.28Å; K314-T317 VanDerWaalsContact O-N 3.13Å; K314-T317 PolarHBondContact O-OG1 2.83Å; K314-L318 PolarHBondContact O-N 3.22Å
315	R	76.9	Confident	76.7	Confident	169 Å²	169	78.1 Å²	78.1	64%	0.638	40%	0.398	S	S	*	.	H	α-helix	trans	-58.4	-34.1	175.3	-165.3	172.8	172.1	82.1	-3.6	112.7	N303 T317 L318 I319	N303-R315 VanDerWaalsContact OD1-CA 3.23Å; N303-R315 WeakPolarHBondContact OD1-CA 3.45Å; N303-R315 WeakPolarHBondContact OD1-CB 3.36Å; N303-R315 WeakPolarHBondContact OD1-CG 3.47Å; R315-T317 PolarHBondContact O-N 3.06Å; R315-L318 PolarHBondContact O-N 3.16Å; R315-I319 HydrophobicContact CG-CD1 4.05Å; R315-I319 VanDerWaalsContact O-CG1 3.31Å; R315-I319 WeakPolarHBondContact O-CG1 3.37Å; R315-I319 PolarHBondContact O-N 3.49Å
316	S	76.7	Confident	76.5	Confident	74 Å²	74	81.8 Å²	81.8	52%	0.517	42%	0.42	S	S	.	.	H	α-helix	trans	-67.9	-30.9	177.8	51.8	0	0	0	0	113.9	K314 V320	K314-S316 PolarHBondContact O-N 3.33Å; S316-V320 WeakPolarHBondContact O-CG2 3.44Å; S316-V320 PolarHBondContact O-N 3.43Å
317	T	77.1	Confident	76.4	Confident	59 Å²	59	78.7 Å²	78.7	36%	0.362	40%	0.404	S	S	.	.	H	α-helix	trans	-78.6	-32.9	173.1	44.6	0	0	0	0	112	K314 R315 V320 H321	K314-T317 PolarHBondContact O-N 3.28Å; K314-T317 VanDerWaalsContact O-N 3.13Å; K314-T317 PolarHBondContact O-OG1 2.83Å; R315-T317 PolarHBondContact O-N 3.06Å; T317-V320 PolarHBondContact O-N 3.25Å; T317-H321 WeakPolarHBondContact O-CB 3.48Å; T317-H321 PolarHBondContact O-N 3.25Å
318	L	80.2	Confident	76.4	Confident	10 Å²	10	77.9 Å²	77.9	5%	0.052	40%	0.4	C	S	.	.	H	α-helix	trans	-59.6	-50.4	167.4	171.2	62.7	0	0	0	111.7	N303 E304 C305 F312 K314 R315 V320 H321 Q322	N303-L318 HydrophobicContact CB-CB 3.91Å; N303-L318 HydrophobicContact CB-CD2 3.83Å; N303-L318 HydrophobicContact CB-CG 4.49Å; E304-L318 WeakPolarHBondContact O-CD2 3.25Å; C305-L318 HydrophobicContact CB-CD1 3.64Å; F312-L318 HydrophobicContact CB-CB 4.14Å; F312-L318 HydrophobicContact CD2-CB 3.96Å; F312-L318 HydrophobicContact CD2-CD1 3.84Å; F312-L318 HydrophobicContact CE2-CD1 4.14Å; F312-L318 HydrophobicContact CG-CB 4.23Å; K314-L318 PolarHBondContact O-N 3.22Å; R315-L318 PolarHBondContact O-N 3.16Å; L318-V320 VanDerWaalsContact C-N 3.29Å; L318-V320 PolarHBondContact O-N 2.98Å; L318-H321 CarbonylContact O-C 3.49Å; L318-H321 WeakPolarHBondContact O-CA 3.42Å; L318-H321 WeakPolarHBondContact O-CB 3.25Å; L318-H321 PolarHBondContact O-N 2.77Å; L318-Q322 HydrophobicContact CD1-CG 3.91Å; L318-Q322 HydrophobicContact CG-CG 4.33Å; L318-Q322 WeakPolarHBondContact O-CG 3.45Å; L318-Q322 PolarHBondContact O-N 3.22Å
319	I	77.2	Confident	76.5	Confident	70 Å²	70	81.1 Å²	81.1	36%	0.359	41%	0.41	S	S	.	.	H	α-helix	trans	-60	-40.6	180	-69	162.8	0	0	0	111.1	R315 H321 Q322	R315-I319 HydrophobicContact CG-CD1 4.05Å; R315-I319 VanDerWaalsContact O-CG1 3.31Å; R315-I319 WeakPolarHBondContact O-CG1 3.37Å; R315-I319 PolarHBondContact O-N 3.49Å; I319-H321 VanDerWaalsContact C-N 3.28Å; I319-H321 PolarHBondContact O-N 3.04Å; I319-Q322 PolarHBondContact O-N 3.3Å
320	V	77.1	Confident	76.9	Confident	52 Å²	52	77 Å²	77	32%	0.315	40%	0.403	S	S	.	.	H	α-helix	trans	-65.1	-31.7	173.5	161.3	0	0	0	0	112.3	S316 T317 L318 V342	S316-V320 WeakPolarHBondContact O-CG2 3.44Å; S316-V320 PolarHBondContact O-N 3.43Å; T317-V320 PolarHBondContact O-N 3.25Å; L318-V320 VanDerWaalsContact C-N 3.29Å; L318-V320 PolarHBondContact O-N 2.98Å; V320-V342 HydrophobicContact CG1-CG2 3.49Å; V320-V342 VanDerWaalsContact CG1-CG2 3.49Å; V320-V342 HydrophobicContact CG2-CG2 4.45Å
321	H	78.4	Confident	77.6	Confident	23 Å²	23	74.4 Å²	74.4	11%	0.106	39%	0.39	C	S	.	.	H	α-helix	trans	-75.5	-39.5	176.1	174	78	0	0	0	113	C308 F312 T317 L318 I319 R323 I324	C308-H321 PolarHBondContact SG-NE2 3Å; F312-H321 HydrophobicContact CE1-CB 4.02Å; F312-H321 HydrophobicContact CE2-CB 3.87Å; F312-H321 AromaticContact CE2-CD2 3.47Å; F312-H321 VanDerWaalsContact CE2-CD2 3.47Å; F312-H321 WeakPolarHBondContact CE2-CD2 3.2Å; F312-H321 AromaticContact CE2-CG 3.58Å; F312-H321 HydrophobicContact CZ-CB 3.53Å; F312-H321 AromaticContact CZ-CD2 3.58Å; F312-H321 AromaticContact CZ-CG 3.23Å; F312-H321 AromaticContact CZ-ND1 3.53Å; T317-H321 WeakPolarHBondContact O-CB 3.48Å; T317-H321 PolarHBondContact O-N 3.25Å; L318-H321 CarbonylContact O-C 3.49Å; L318-H321 WeakPolarHBondContact O-CA 3.42Å; L318-H321 WeakPolarHBondContact O-CB 3.25Å; L318-H321 PolarHBondContact O-N 2.77Å; I319-H321 VanDerWaalsContact C-N 3.28Å; I319-H321 PolarHBondContact O-N 3.04Å; H321-R323 PolarHBondContact O-N 3.2Å; H321-I324 WeakPolarHBondContact O-CA 3.41Å; H321-I324 WeakPolarHBondContact O-CB 3.42Å; H321-I324 VanDerWaalsContact O-CG1 3.22Å; H321-I324 WeakPolarHBondContact O-CG1 3.42Å; H321-I324 PolarHBondContact O-N 3.28Å
322	Q	76.8	Confident	78.1	Confident	59 Å²	59	73.3 Å²	73.3	28%	0.276	38%	0.383	S	S	.	.	H	α-helix	trans	-59.2	-30.9	178.2	-72.6	171.4	-63.3	0	0	112.4	L318 I319 I324 H325 T326	L318-Q322 HydrophobicContact CD1-CG 3.91Å; L318-Q322 HydrophobicContact CG-CG 4.33Å; L318-Q322 WeakPolarHBondContact O-CG 3.45Å; L318-Q322 PolarHBondContact O-N 3.22Å; I319-Q322 PolarHBondContact O-N 3.3Å; Q322-I324 PolarHBondContact O-N 2.73Å; Q322-H325 PolarHBondContact O-N 2.84Å; Q322-T326 PolarHBondContact O-N 3.08Å
323	R	81.6	Confident	78.2	Confident	38 Å²	38	71 Å²	71	14%	0.143	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-12.4	169.6	-62.2	-176.2	177.3	145.9	8.9	114.6	H321 G327 E328 R341	H321-R323 PolarHBondContact O-N 3.2Å; R323-G327 PolarHBondContact O-N 3.07Å; R323-E328 HydrophobicContact CB-CB 4.09Å; R323-E328 HydrophobicContact CG-CB 3.83Å; R323-E328 IonicContact NE-OE2 3.29Å; R323-E328 PolarHBondContact NE-OE2 3.17Å; R323-R341 PolarHBondContact NH1-O 3.35Å; R323-R341 PolarHBondContact O-NE 3.25Å; R323-R341 PolarHBondContact O-NH2 3.39Å
324	I	73.7	Confident	78.6	Confident	81 Å²	81	72.1 Å²	72.1	42%	0.415	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-43.9	169.8	-62.9	-177.4	0	0	0	110.4	H321 Q322 R341	H321-I324 WeakPolarHBondContact O-CA 3.41Å; H321-I324 WeakPolarHBondContact O-CB 3.42Å; H321-I324 VanDerWaalsContact O-CG1 3.22Å; H321-I324 WeakPolarHBondContact O-CG1 3.42Å; H321-I324 PolarHBondContact O-N 3.28Å; Q322-I324 PolarHBondContact O-N 2.73Å; I324-R341 VanDerWaalsContact CA-CZ 3.47Å; I324-R341 PolarHBondContact O-NH2 3.12Å
325	H	75.6	Confident	78.5	Confident	87 Å²	87	70.7 Å²	70.7	40%	0.403	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-49.8	-177.9	-43	-59.6	0	0	0	111.7	E307 C308 Q322 G327	E307-H325 IonicContact OE1-CD2 3.81Å; E307-H325 PolarHBondContact OE1-CD2 3.24Å; E307-H325 IonicContact OE1-CG 3.58Å; E307-H325 WeakPolarHBondContact OE2-CB 3.49Å; E307-H325 IonicContact OE2-CD2 3.7Å; E307-H325 IonicContact OE2-CG 3.52Å; C308-H325 PolarHBondContact SG-NE2 2.84Å; Q322-H325 PolarHBondContact O-N 2.84Å; H325-G327 PolarHBondContact O-N 2.75Å
326	T	73.9	Confident	78.3	Confident	76 Å²	76	64.9 Å²	64.9	47%	0.466	35%	0.354	S	S	.	.	S	Bend	trans	-66.4	-5	178.1	72.7	0	0	0	0	114	Q322 E328	Q322-T326 PolarHBondContact O-N 3.08Å; T326-E328 PolarHBondContact O-N 3.07Å; T326-E328 WeakPolarHBondContact OG1-CG 3.38Å; T326-E328 PolarHBondContact OG1-OE1 2.92Å
327	G	72.8	Confident	78.3	Confident	35 Å²	35	71.6 Å²	71.6	36%	0.361	37%	0.368	S	S	.	.			trans	74	-17.3	178.1	0	0	0	0	0	115.4	R323 H325	R323-G327 PolarHBondContact O-N 3.07Å; H325-G327 PolarHBondContact O-N 2.75Å
328	E	76.6	Confident	78.1	Confident	92 Å²	92	74.6 Å²	74.6	43%	0.43	38%	0.376	S	S	.	.			trans	-42.8	134.3	-176.4	-85.6	173.5	-123	0	0	114.8	R323 T326 R341	R323-E328 HydrophobicContact CB-CB 4.09Å; R323-E328 HydrophobicContact CG-CB 3.83Å; R323-E328 IonicContact NE-OE2 3.29Å; R323-E328 PolarHBondContact NE-OE2 3.17Å; T326-E328 PolarHBondContact O-N 3.07Å; T326-E328 WeakPolarHBondContact OG1-CG 3.38Å; T326-E328 PolarHBondContact OG1-OE1 2.92Å; E328-R341 WeakPolarHBondContact O-CG 3.48Å
329	K	81.5	Confident	78.1	Confident	104 Å²	104	77.2 Å²	77.2	45%	0.452	39%	0.392	S	S	.	.			trans	-136.9	72	175.1	-68.7	163.8	-165.2	163.9	0	110.9	Y331 T339 F340 R341	K329-Y331 PolarHBondContact O-N 3.16Å; K329-Y331 VanDerWaalsContact O-N 3.11Å; K329-T339 WeakPolarHBondContact CB-OG1 3.41Å; K329-T339 VanDerWaalsContact CD-OG1 3.3Å; K329-T339 WeakPolarHBondContact CD-OG1 3.44Å; K329-F340 CarbonylContact C-O 3.57Å; K329-F340 VanDerWaalsContact CA-O 3.32Å; K329-F340 WeakPolarHBondContact CA-O 3.46Å; K329-R341 HydrophobicContact CG-CG 3.98Å
330	P	82.4	Confident	78.5	Confident	65 Å²	65	76 Å²	76	42%	0.422	38%	0.384	S	S	.	.			trans	-67	-15.7	-167.4	-23.3	36.2	0	0	0	115.5
331	Y	86.1	Confident	78.7	Confident	76 Å²	76	77.4 Å²	77.4	30%	0.298	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	103	-175.2	-54.7	-75.5	0	0	0	110.4	K329 T339 F340 R341 K343	K329-Y331 PolarHBondContact O-N 3.16Å; K329-Y331 VanDerWaalsContact O-N 3.11Å; Y331-T339 CarbonylContact O-C 3.57Å; Y331-T339 WeakPolarHBondContact O-CA 3.34Å; Y331-F340 WeakPolarHBondContact CD2-O 3.11Å; Y331-F340 PolarHBondContact N-O 3.48Å; Y331-F340 VanDerWaalsContact N-O 3.14Å; Y331-F340 PolarHBondContact O-N 3.34Å; Y331-R341 WeakPolarHBondContact CE2-O 3.44Å; Y331-K343 HydrophobicContact CD1-CB 3.94Å; Y331-K343 HydrophobicContact CD1-CG 4.31Å; Y331-K343 VanDerWaalsContact CD2-N 3.3Å; Y331-K343 HydrophobicContact CE1-CB 3.78Å; Y331-K343 HydrophobicContact CE1-CG 4.35Å; Y331-K343 HydrophobicContact CE2-CB 4.44Å; Y331-K343 VanDerWaalsContact CE2-N 3.33Å; Y331-K343 HydrophobicContact CG-CB 4.35Å
332	V	79.4	Confident	78.8	Confident	71 Å²	71	78.4 Å²	78.4	43%	0.43	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	139.4	179.5	-168.5	0	0	0	0	110.7	T339 L346	V332-T339 HydrophobicContact CB-CG2 4.49Å; V332-T339 HydrophobicContact CG1-CG2 4.26Å; V332-T339 HydrophobicContact CG2-CG2 4.05Å; V332-L346 VanDerWaalsContact O-CD2 3.31Å; V332-L346 WeakPolarHBondContact O-CD2 3.41Å
333	C	84.9	Confident	79.1	Confident	0 Å²	0	82.1 Å²	82.1	0%	0	41%	0.407	C	S	.	.			trans	-86.7	119	168.7	-164.5	0	0	0	0	110	D335 R337 K338 F340 L346 H349 H353	C333-D335 VanDerWaalsContact C-N 3.28Å; C333-D335 PolarHBondContact O-N 2.79Å; C333-D335 PolarHBondContact SG-OD2 2.86Å; C333-R337 WeakPolarHBondContact O-CA 3.16Å; C333-R337 PolarHBondContact O-N 3.01Å; C333-K338 WeakPolarHBondContact CB-O 3.26Å; C333-K338 PolarHBondContact N-O 3.33Å; C333-F340 HydrophobicContact CB-CE2 4.31Å; C333-L346 HydrophobicContact CB-CD1 3.54Å; C333-H349 PolarHBondContact SG-CD2 3.23Å; C333-H353 PolarHBondContact SG-NE2 2.92Å
334	N	83.3	Confident	79	Confident	139 Å²	139	85.2 Å²	85.2	74%	0.743	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-39.8	-177.2	-64.8	-6.5	0	0	0	112	C336	N334-C336 PolarHBondContact O-N 3.32Å
335	D	75.6	Confident	79.4	Confident	105 Å²	105	82.9 Å²	82.9	56%	0.561	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-29.7	-169.8	-31.6	-77.5	0	0	0	113.8	C333 H353	C333-D335 VanDerWaalsContact C-N 3.28Å; C333-D335 PolarHBondContact O-N 2.79Å; C333-D335 PolarHBondContact SG-OD2 2.86Å; D335-H353 IonicContact OD2-CD2 3.25Å; D335-H353 PolarHBondContact OD2-CD2 2.94Å; D335-H353 VanDerWaalsContact OD2-CD2 3.3Å; D335-H353 IonicContact OD2-NE2 3.5Å
336	C	72.4	Confident	79.9	Confident	47 Å²	47	79.6 Å²	79.6	32%	0.318	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-141.4	14.7	-178.3	78	0	0	0	0	115.1	N334 K338 H349 H353	N334-C336 PolarHBondContact O-N 3.32Å; C336-K338 PolarHBondContact O-N 3.19Å; C336-H349 PolarHBondContact SG-NE2 2.97Å; C336-H353 VanDerWaalsContact SG-CE1 3.58Å
337	R	78.5	Confident	80.3	Confident	214 Å²	214	79.2 Å²	79.2	81%	0.808	40%	0.404	S	S	*	.			trans	54.9	12.9	176	-58	-175.8	-179.6	-176.7	-0.8	116.4	C333	C333-R337 WeakPolarHBondContact O-CA 3.16Å; C333-R337 PolarHBondContact O-N 3.01Å
338	K	72.9	Confident	80.7	Confident	123 Å²	123	83 Å²	83	54%	0.535	41%	0.408	S	S	.	.			trans	-69.4	140.3	174.7	-73.2	177.7	-174.9	167.1	0	111.1	C333 C336 F340	C333-K338 WeakPolarHBondContact CB-O 3.26Å; C333-K338 PolarHBondContact N-O 3.33Å; C336-K338 PolarHBondContact O-N 3.19Å; K338-F340 HydrophobicContact CB-CE2 3.8Å; K338-F340 HydrophobicContact CB-CZ 3.98Å; K338-F340 WeakPolarHBondContact O-CE2 3.45Å
339	T	79.5	Confident	80.8	Confident	64 Å²	64	79.5 Å²	79.5	39%	0.393	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	141	-173	62.3	0	0	0	0	112.1	K329 Y331 V332	K329-T339 WeakPolarHBondContact CB-OG1 3.41Å; K329-T339 VanDerWaalsContact CD-OG1 3.3Å; K329-T339 WeakPolarHBondContact CD-OG1 3.44Å; Y331-T339 CarbonylContact O-C 3.57Å; Y331-T339 WeakPolarHBondContact O-CA 3.34Å; V332-T339 HydrophobicContact CB-CG2 4.49Å; V332-T339 HydrophobicContact CG1-CG2 4.26Å; V332-T339 HydrophobicContact CG2-CG2 4.05Å
340	F	84.6	Confident	80.8	Confident	44 Å²	44	77.9 Å²	77.9	19%	0.193	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	148.4	-172.4	-59.7	-89.5	0	0	0	112.1	K329 Y331 C333 K338 L346 H349	K329-F340 CarbonylContact C-O 3.57Å; K329-F340 VanDerWaalsContact CA-O 3.32Å; K329-F340 WeakPolarHBondContact CA-O 3.46Å; Y331-F340 WeakPolarHBondContact CD2-O 3.11Å; Y331-F340 PolarHBondContact N-O 3.48Å; Y331-F340 VanDerWaalsContact N-O 3.14Å; Y331-F340 PolarHBondContact O-N 3.34Å; C333-F340 HydrophobicContact CB-CE2 4.31Å; K338-F340 HydrophobicContact CB-CE2 3.8Å; K338-F340 HydrophobicContact CB-CZ 3.98Å; K338-F340 WeakPolarHBondContact O-CE2 3.45Å; F340-L346 HydrophobicContact CB-CB 4.32Å; F340-L346 HydrophobicContact CD2-CB 3.96Å; F340-L346 HydrophobicContact CD2-CD1 3.93Å; F340-L346 HydrophobicContact CE2-CD1 4.08Å; F340-L346 HydrophobicContact CG-CB 4.26Å; F340-H349 HydrophobicContact CE1-CB 3.99Å; F340-H349 HydrophobicContact CE2-CB 4.07Å; F340-H349 AromaticContact CE2-CD2 3.31Å; F340-H349 WeakPolarHBondContact CE2-CD2 3.4Å; F340-H349 AromaticContact CE2-CG 3.84Å; F340-H349 HydrophobicContact CZ-CB 3.55Å; F340-H349 AromaticContact CZ-CD2 3.25Å; F340-H349 WeakPolarHBondContact CZ-CD2 3.45Å; F340-H349 AromaticContact CZ-CG 3.34Å
341	R	82.4	Confident	80.9	Confident	82 Å²	82	77.3 Å²	77.3	31%	0.309	38%	0.375	S	S	.	.	S	Bend	trans	-74.6	-23.6	178.9	-62.9	-172.3	157.6	151.1	-10.5	113.9	R323 I324 E328 K329 Y331	R323-R341 PolarHBondContact NH1-O 3.35Å; R323-R341 PolarHBondContact O-NE 3.25Å; R323-R341 PolarHBondContact O-NH2 3.39Å; I324-R341 VanDerWaalsContact CA-CZ 3.47Å; I324-R341 PolarHBondContact O-NH2 3.12Å; E328-R341 WeakPolarHBondContact O-CG 3.48Å; K329-R341 HydrophobicContact CG-CG 3.98Å; Y331-R341 WeakPolarHBondContact CE2-O 3.44Å
342	V	81.3	Confident	80.4	Confident	44 Å²	44	78.8 Å²	78.8	27%	0.267	39%	0.386	S	S	.	.	S	Bend	trans	-140.6	136.1	-172.6	-166.7	0	0	0	0	110.9	V320 T344 S345 L346	V320-V342 HydrophobicContact CG1-CG2 3.49Å; V320-V342 VanDerWaalsContact CG1-CG2 3.49Å; V320-V342 HydrophobicContact CG2-CG2 4.45Å; V342-T344 VanDerWaalsContact C-N 3.29Å; V342-T344 WeakPolarHBondContact CG1-OG1 3.16Å; V342-T344 PolarHBondContact O-N 2.78Å; V342-S345 WeakPolarHBondContact O-CB 3.21Å; V342-S345 PolarHBondContact O-N 2.93Å; V342-L346 PolarHBondContact O-N 3.15Å
343	K	81.3	Confident	80	Confident	138 Å²	138	79.1 Å²	79.1	60%	0.6	38%	0.383	S	S	*	.	H	α-helix	trans	-52.6	-42	-179.8	-169.4	176	-179.6	178.9	0	112.9	Y331 S345 L346 T347	Y331-K343 HydrophobicContact CD1-CB 3.94Å; Y331-K343 HydrophobicContact CD1-CG 4.31Å; Y331-K343 VanDerWaalsContact CD2-N 3.3Å; Y331-K343 HydrophobicContact CE1-CB 3.78Å; Y331-K343 HydrophobicContact CE1-CG 4.35Å; Y331-K343 HydrophobicContact CE2-CB 4.44Å; Y331-K343 VanDerWaalsContact CE2-N 3.33Å; Y331-K343 HydrophobicContact CG-CB 4.35Å; K343-S345 PolarHBondContact O-N 3.27Å; K343-L346 WeakPolarHBondContact O-CA 3.45Å; K343-L346 WeakPolarHBondContact O-CB 3.24Å; K343-L346 PolarHBondContact O-N 3.11Å; K343-T347 PolarHBondContact O-N 2.89Å; K343-T347 PolarHBondContact O-OG1 3.36Å
344	T	81.1	Confident	79.7	Confident	102 Å²	102	83.3 Å²	83.3	63%	0.626	41%	0.409	S	S	*	.	H	α-helix	trans	-60.6	-29.9	177.6	54.1	0	0	0	0	113.7	V342 R348	V342-T344 VanDerWaalsContact C-N 3.29Å; V342-T344 WeakPolarHBondContact CG1-OG1 3.16Å; V342-T344 PolarHBondContact O-N 2.78Å; T344-R348 WeakPolarHBondContact O-CB 3.21Å; T344-R348 PolarHBondContact O-N 3.1Å
345	S	81.9	Confident	79.3	Confident	33 Å²	33	78.7 Å²	78.7	23%	0.231	39%	0.394	C	S	.	.	H	α-helix	trans	-77.4	-32.2	175.1	-69.4	0	0	0	0	112.4	V342 K343 H349	V342-S345 WeakPolarHBondContact O-CB 3.21Å; V342-S345 PolarHBondContact O-N 2.93Å; K343-S345 PolarHBondContact O-N 3.27Å; S345-H349 VanDerWaalsContact O-CB 3.31Å; S345-H349 WeakPolarHBondContact O-CB 3.04Å; S345-H349 PolarHBondContact O-N 3.19Å; S345-H349 VanDerWaalsContact O-N 3.07Å
346	L	84.8	Confident	79.4	Confident	18 Å²	18	78 Å²	78	9%	0.094	39%	0.387	C	S	.	.	H	α-helix	trans	-65.6	-49.8	168.1	171.4	60.1	0	0	0	110.7	V332 C333 F340 V342 K343 R348 H349 Q350	V332-L346 VanDerWaalsContact O-CD2 3.31Å; V332-L346 WeakPolarHBondContact O-CD2 3.41Å; C333-L346 HydrophobicContact CB-CD1 3.54Å; F340-L346 HydrophobicContact CB-CB 4.32Å; F340-L346 HydrophobicContact CD2-CB 3.96Å; F340-L346 HydrophobicContact CD2-CD1 3.93Å; F340-L346 HydrophobicContact CE2-CD1 4.08Å; F340-L346 HydrophobicContact CG-CB 4.26Å; V342-L346 PolarHBondContact O-N 3.15Å; K343-L346 WeakPolarHBondContact O-CA 3.45Å; K343-L346 WeakPolarHBondContact O-CB 3.24Å; K343-L346 PolarHBondContact O-N 3.11Å; L346-R348 VanDerWaalsContact C-N 3.34Å; L346-R348 PolarHBondContact O-N 2.84Å; L346-H349 CarbonylContact O-C 3.15Å; L346-H349 WeakPolarHBondContact O-CA 3.5Å; L346-H349 WeakPolarHBondContact O-CB 3.4Å; L346-H349 PolarHBondContact O-N 2.84Å; L346-Q350 HydrophobicContact CD1-CG 3.93Å; L346-Q350 HydrophobicContact CG-CG 4.34Å; L346-Q350 WeakPolarHBondContact O-CG 3.42Å; L346-Q350 PolarHBondContact O-N 2.94Å
347	T	82.4	Confident	79.9	Confident	67 Å²	67	82.2 Å²	82.2	41%	0.411	40%	0.396	S	S	.	.	H	α-helix	trans	-59.9	-41.8	179.6	-52.6	0	0	0	0	112.2	K343 H349 Q350	K343-T347 PolarHBondContact O-N 2.89Å; K343-T347 PolarHBondContact O-OG1 3.36Å; T347-H349 VanDerWaalsContact C-N 3.28Å; T347-H349 PolarHBondContact O-N 3.25Å; T347-Q350 PolarHBondContact O-N 2.98Å
348	R	81.3	Confident	80.2	Confident	116 Å²	116	75.4 Å²	75.4	44%	0.438	38%	0.38	S	S	.	.	H	α-helix	trans	-63.5	-32.4	171.5	178.1	176	55.9	170.4	-8.8	112.7	T344 L346 I369 D370	T344-R348 WeakPolarHBondContact O-CB 3.21Å; T344-R348 PolarHBondContact O-N 3.1Å; L346-R348 VanDerWaalsContact C-N 3.34Å; L346-R348 PolarHBondContact O-N 2.84Å; R348-I369 HydrophobicContact CG-CG2 4.5Å; R348-D370 IonicContact NH1-OD2 2.7Å; R348-D370 PolarHBondContact NH1-OD2 2.88Å; R348-D370 VanDerWaalsContact NH1-OD2 3.15Å
349	H	80.4	Confident	80.7	Confident	18 Å²	18	73.3 Å²	73.3	8%	0.083	37%	0.369	C	S	.	.	H	α-helix	trans	-73.6	-38.6	176.9	171.4	48.6	0	0	0	112.7	C333 C336 F340 S345 L346 T347 R351 I352 H353	C333-H349 PolarHBondContact SG-CD2 3.23Å; C336-H349 PolarHBondContact SG-NE2 2.97Å; F340-H349 HydrophobicContact CE1-CB 3.99Å; F340-H349 HydrophobicContact CE2-CB 4.07Å; F340-H349 AromaticContact CE2-CD2 3.31Å; F340-H349 WeakPolarHBondContact CE2-CD2 3.4Å; F340-H349 AromaticContact CE2-CG 3.84Å; F340-H349 HydrophobicContact CZ-CB 3.55Å; F340-H349 AromaticContact CZ-CD2 3.25Å; F340-H349 WeakPolarHBondContact CZ-CD2 3.45Å; F340-H349 AromaticContact CZ-CG 3.34Å; S345-H349 VanDerWaalsContact O-CB 3.31Å; S345-H349 WeakPolarHBondContact O-CB 3.04Å; S345-H349 PolarHBondContact O-N 3.19Å; S345-H349 VanDerWaalsContact O-N 3.07Å; L346-H349 CarbonylContact O-C 3.15Å; L346-H349 WeakPolarHBondContact O-CA 3.5Å; L346-H349 WeakPolarHBondContact O-CB 3.4Å; L346-H349 PolarHBondContact O-N 2.84Å; T347-H349 VanDerWaalsContact C-N 3.28Å; T347-H349 PolarHBondContact O-N 3.25Å; H349-R351 PolarHBondContact O-N 2.99Å; H349-I352 VanDerWaalsContact O-CB 3.25Å; H349-I352 WeakPolarHBondContact O-CB 3.44Å; H349-I352 WeakPolarHBondContact O-CG1 3.25Å; H349-I352 PolarHBondContact O-N 3.1Å; H349-H353 AromaticContact CD2-NE2 3.99Å; H349-H353 AromaticContact CE1-CE1 3.67Å; H349-H353 AromaticContact CE1-NE2 3.42Å; H349-H353 PolarHBondContact CE1-NE2 2.69Å; H349-H353 AromaticContact NE2-CE1 3.82Å; H349-H353 AromaticContact NE2-NE2 3.2Å; H349-H353 PolarHBondContact NE2-NE2 3.15Å
350	Q	80.3	Confident	80.9	Confident	70 Å²	70	76.1 Å²	76.1	33%	0.327	38%	0.378	S	S	.	.	H	α-helix	trans	-59.1	-29.9	179.6	-71.8	172.2	-74.3	0	0	112.7	L346 T347 I352 H353 T354	L346-Q350 HydrophobicContact CD1-CG 3.93Å; L346-Q350 HydrophobicContact CG-CG 4.34Å; L346-Q350 WeakPolarHBondContact O-CG 3.42Å; L346-Q350 PolarHBondContact O-N 2.94Å; T347-Q350 PolarHBondContact O-N 2.98Å; Q350-I352 PolarHBondContact O-N 2.91Å; Q350-I352 VanDerWaalsContact O-N 3.11Å; Q350-H353 WeakPolarHBondContact O-CA 3.27Å; Q350-H353 WeakPolarHBondContact O-CB 3.48Å; Q350-H353 PolarHBondContact O-N 2.77Å; Q350-T354 PolarHBondContact O-N 2.91Å
351	R	83.8	Confident	80.9	Confident	53 Å²	53	74 Å²	74	20%	0.2	37%	0.368	C	S	.	.	H	α-helix	trans	-57.6	-20.2	171	-64	-173.2	174.3	168.3	0.1	115.2	H349 H353 T354 G355 E356 I369	H349-R351 PolarHBondContact O-N 2.99Å; R351-H353 VanDerWaalsContact C-N 3.3Å; R351-T354 WeakPolarHBondContact CA-OG1 3.45Å; R351-G355 CarbonylContact O-C 3.52Å; R351-G355 WeakPolarHBondContact O-CA 3.38Å; R351-G355 PolarHBondContact O-N 3.32Å; R351-E356 HydrophobicContact CB-CB 4.06Å; R351-E356 HydrophobicContact CG-CB 3.88Å; R351-E356 IonicContact NE-OE2 3.3Å; R351-E356 PolarHBondContact NE-OE2 3.18Å; R351-E356 PolarHBondContact O-N 2.87Å; R351-I369 HydrophobicContact CB-CG2 3.71Å; R351-I369 PolarHBondContact NH1-O 3.04Å
352	I	76.3	Confident	80.9	Confident	107 Å²	107	75.1 Å²	75.1	55%	0.549	39%	0.389	S	S	.	.	H	α-helix	trans	-71.9	-29	173.1	-58.5	-179.7	0	0	0	110.7	H349 Q350 I369	H349-I352 VanDerWaalsContact O-CB 3.25Å; H349-I352 WeakPolarHBondContact O-CB 3.44Å; H349-I352 WeakPolarHBondContact O-CG1 3.25Å; H349-I352 PolarHBondContact O-N 3.1Å; Q350-I352 PolarHBondContact O-N 2.91Å; Q350-I352 VanDerWaalsContact O-N 3.11Å; I352-I369 HydrophobicContact CG1-CD1 4.08Å
353	H	71.9	Confident	80.7	Confident	78 Å²	78	78.2 Å²	78.2	36%	0.361	40%	0.401	S	S	.	.	H	α-helix	trans	-91.3	-38.8	178.8	-47.6	-49.7	0	0	0	112	C333 D335 C336 H349 Q350 R351 G355	C333-H353 PolarHBondContact SG-NE2 2.92Å; D335-H353 IonicContact OD2-CD2 3.25Å; D335-H353 PolarHBondContact OD2-CD2 2.94Å; D335-H353 VanDerWaalsContact OD2-CD2 3.3Å; D335-H353 IonicContact OD2-NE2 3.5Å; C336-H353 VanDerWaalsContact SG-CE1 3.58Å; H349-H353 AromaticContact CD2-NE2 3.99Å; H349-H353 AromaticContact CE1-CE1 3.67Å; H349-H353 AromaticContact CE1-NE2 3.42Å; H349-H353 PolarHBondContact CE1-NE2 2.69Å; H349-H353 AromaticContact NE2-CE1 3.82Å; H349-H353 AromaticContact NE2-NE2 3.2Å; H349-H353 PolarHBondContact NE2-NE2 3.15Å; Q350-H353 WeakPolarHBondContact O-CA 3.27Å; Q350-H353 WeakPolarHBondContact O-CB 3.48Å; Q350-H353 PolarHBondContact O-N 2.77Å; R351-H353 VanDerWaalsContact C-N 3.3Å; H353-G355 VanDerWaalsContact C-N 3.31Å
354	T	77.1	Confident	80.5	Confident	88 Å²	88	74 Å²	74	54%	0.54	39%	0.388	S	S	.	.	H	α-helix	trans	-78	-14.1	175.3	64.2	0	0	0	0	113.5	Q350 R351 E356	Q350-T354 PolarHBondContact O-N 2.91Å; R351-T354 WeakPolarHBondContact CA-OG1 3.45Å; T354-E356 WeakPolarHBondContact CB-OE1 3.19Å; T354-E356 PolarHBondContact O-N 3.1Å; T354-E356 VanDerWaalsContact OG1-CD 3.29Å; T354-E356 WeakPolarHBondContact OG1-CG 3.23Å; T354-E356 PolarHBondContact OG1-OE1 3.25Å
355	G	75.6	Confident	80.4	Confident	41 Å²	41	71.2 Å²	71.2	42%	0.423	38%	0.379	S	S	.	.			trans	77.5	-3.1	-178.5	0	0	0	0	0	115	R351 H353 R357	R351-G355 CarbonylContact O-C 3.52Å; R351-G355 WeakPolarHBondContact O-CA 3.38Å; R351-G355 PolarHBondContact O-N 3.32Å; H353-G355 VanDerWaalsContact C-N 3.31Å; G355-R357 PolarHBondContact O-N 3.16Å
356	E	78.2	Confident	79.9	Confident	90 Å²	90	75.4 Å²	75.4	42%	0.421	39%	0.393	S	S	.	.			trans	-50.9	126.3	179.1	-80.8	166.1	-116.9	0	0	113.1	R351 T354 P358	R351-E356 HydrophobicContact CB-CB 4.06Å; R351-E356 HydrophobicContact CG-CB 3.88Å; R351-E356 IonicContact NE-OE2 3.3Å; R351-E356 PolarHBondContact NE-OE2 3.18Å; R351-E356 PolarHBondContact O-N 2.87Å; T354-E356 WeakPolarHBondContact CB-OE1 3.19Å; T354-E356 PolarHBondContact O-N 3.1Å; T354-E356 VanDerWaalsContact OG1-CD 3.29Å; T354-E356 WeakPolarHBondContact OG1-CG 3.23Å; T354-E356 PolarHBondContact OG1-OE1 3.25Å; E356-P358 HydrophobicContact CB-CG 4.35Å
357	R	82.2	Confident	79.6	Confident	136 Å²	136	77.2 Å²	77.2	51%	0.513	41%	0.405	S	S	.	.			trans	-128.9	73	173.6	-71.8	174.3	158.6	98.5	-6.7	111.4	G355 Y359 T367 F368 I369	G355-R357 PolarHBondContact O-N 3.16Å; R357-Y359 PolarHBondContact O-N 3.4Å; R357-T367 WeakPolarHBondContact CD-O 3.29Å; R357-T367 VanDerWaalsContact CD-OG1 3.3Å; R357-T367 WeakPolarHBondContact CD-OG1 3.48Å; R357-F368 CarbonylContact C-O 3.58Å; R357-F368 VanDerWaalsContact CA-O 3.24Å; R357-F368 WeakPolarHBondContact CA-O 3.36Å; R357-I369 HydrophobicContact CG-CG1 3.91Å
358	P	84.1	Confident	79.5	Confident	71 Å²	71	76.1 Å²	76.1	46%	0.461	40%	0.395	S	S	.	.			trans	-74.7	8.4	-167.5	-19.5	36.2	0	0	0	115.9	E356	E356-P358 HydrophobicContact CB-CG 4.35Å
359	Y	84.8	Confident	79.2	Confident	79 Å²	79	72.9 Å²	72.9	31%	0.31	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	97.7	-176.6	-58.6	-73.2	0	0	0	109.8	R357 T367 F368 I369 D370 K371	R357-Y359 PolarHBondContact O-N 3.4Å; Y359-T367 CarbonylContact O-C 3.57Å; Y359-T367 WeakPolarHBondContact O-CA 3.29Å; Y359-F368 PolarHBondContact N-O 2.9Å; Y359-F368 PolarHBondContact O-N 2.8Å; Y359-I369 WeakPolarHBondContact CE2-O 3.42Å; Y359-D370 VanDerWaalsContact CD2-CA 3.47Å; Y359-K371 HydrophobicContact CD1-CB 3.92Å; Y359-K371 HydrophobicContact CD1-CG 4.3Å; Y359-K371 HydrophobicContact CE1-CB 3.8Å; Y359-K371 HydrophobicContact CE1-CG 4.37Å; Y359-K371 HydrophobicContact CE2-CB 4.49Å; Y359-K371 HydrophobicContact CG-CB 4.31Å
360	E	84.4	Confident	79.1	Confident	123 Å²	123	74 Å²	74	58%	0.575	39%	0.392	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.7	145.8	-179.5	-168.8	168.8	158.4	0	0	112.5	G365 T367 L374	E360-G365 WeakPolarHBondContact OE1-CA 3.16Å; E360-T367 HydrophobicContact CB-CG2 3.97Å; E360-T367 HydrophobicContact CG-CG2 3.82Å; E360-L374 WeakPolarHBondContact O-CD2 3.42Å
361	C	84.3	Confident	79	Confident	0 Å²	0	76.7 Å²	76.7	0%	0	40%	0.403	C	S	.	.			trans	-88.6	108.8	170.5	-174.5	0	0	0	0	110.6	E363 C364 G365 K366 F368 L374 H381	C361-E363 PolarHBondContact O-N 3.02Å; C361-C364 PolarHBondContact O-N 3.31Å; C361-C364 VanDerWaalsContact O-N 3.11Å; C361-G365 PolarHBondContact O-N 3.4Å; C361-K366 WeakPolarHBondContact CB-O 3.46Å; C361-K366 PolarHBondContact N-O 3.14Å; C361-F368 HydrophobicContact CB-CE2 4.36Å; C361-L374 HydrophobicContact CB-CD1 3.61Å; C361-H381 PolarHBondContact SG-NE2 2.85Å
362	S	81.8	Confident	78.6	Confident	106 Å²	106	77.9 Å²	77.9	74%	0.741	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	-20.3	177.9	48.5	0	0	0	0	115.3
363	E	77.4	Confident	78.5	Confident	109 Å²	109	74.2 Å²	74.2	51%	0.509	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.9	-15.1	-175.7	-64	164.8	-90.2	0	0	113.4	C361 H381	C361-E363 PolarHBondContact O-N 3.02Å; E363-H381 IonicContact OE1-CD2 3.4Å; E363-H381 WeakPolarHBondContact OE2-CB 3.47Å; E363-H381 IonicContact OE2-CD2 3.45Å; E363-H381 IonicContact OE2-CG 3.03Å
364	C	77.5	Confident	78.9	Confident	50 Å²	50	71.3 Å²	71.3	34%	0.338	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-155.5	16.9	-179.6	78.1	0	0	0	0	116.4	C361 K366 H377 H381	C361-C364 PolarHBondContact O-N 3.31Å; C361-C364 VanDerWaalsContact O-N 3.11Å; C364-K366 PolarHBondContact O-N 2.87Å; C364-K366 VanDerWaalsContact SG-CD 3.58Å; C364-H377 PolarHBondContact SG-NE2 3.06Å; C364-H381 VanDerWaalsContact SG-CE1 3.6Å; C364-H381 PolarHBondContact SG-NE2 2.8Å
365	G	77.6	Confident	78.9	Confident	43 Å²	43	71 Å²	71	44%	0.443	39%	0.387	S	S	.	.			trans	64.3	8.2	175.7	0	0	0	0	0	116.2	E360 C361	E360-G365 WeakPolarHBondContact OE1-CA 3.16Å; C361-G365 PolarHBondContact O-N 3.4Å
366	K	72	Confident	78.5	Confident	120 Å²	120	70.9 Å²	70.9	52%	0.522	38%	0.378	S	S	.	.			trans	-79.1	127.7	-177.3	-74.1	175.3	-170.9	158.2	0	110.1	C361 C364 F368	C361-K366 WeakPolarHBondContact CB-O 3.46Å; C361-K366 PolarHBondContact N-O 3.14Å; C364-K366 PolarHBondContact O-N 2.87Å; C364-K366 VanDerWaalsContact SG-CD 3.58Å; K366-F368 HydrophobicContact CB-CE2 3.8Å; K366-F368 HydrophobicContact CB-CZ 4.06Å; K366-F368 WeakPolarHBondContact O-CD2 3.5Å; K366-F368 WeakPolarHBondContact O-CE2 3.36Å
367	T	77.6	Confident	78.3	Confident	57 Å²	57	67.5 Å²	67.5	35%	0.35	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	142.5	-174.2	55.7	0	0	0	0	112.4	R357 Y359 E360	R357-T367 WeakPolarHBondContact CD-O 3.29Å; R357-T367 VanDerWaalsContact CD-OG1 3.3Å; R357-T367 WeakPolarHBondContact CD-OG1 3.48Å; Y359-T367 CarbonylContact O-C 3.57Å; Y359-T367 WeakPolarHBondContact O-CA 3.29Å; E360-T367 HydrophobicContact CB-CG2 3.97Å; E360-T367 HydrophobicContact CG-CG2 3.82Å
368	F	81.8	Confident	77.9	Confident	43 Å²	43	64.1 Å²	64.1	19%	0.189	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	150.7	-172	-63	-88.3	0	0	0	112.5	R357 Y359 C361 K366 A373 L374 H377	R357-F368 CarbonylContact C-O 3.58Å; R357-F368 VanDerWaalsContact CA-O 3.24Å; R357-F368 WeakPolarHBondContact CA-O 3.36Å; Y359-F368 PolarHBondContact N-O 2.9Å; Y359-F368 PolarHBondContact O-N 2.8Å; C361-F368 HydrophobicContact CB-CE2 4.36Å; K366-F368 HydrophobicContact CB-CE2 3.8Å; K366-F368 HydrophobicContact CB-CZ 4.06Å; K366-F368 WeakPolarHBondContact O-CD2 3.5Å; K366-F368 WeakPolarHBondContact O-CE2 3.36Å; F368-A373 HydrophobicContact CB-CB 4.3Å; F368-A373 HydrophobicContact CD1-CB 3.82Å; F368-A373 HydrophobicContact CG-CB 4.36Å; F368-L374 HydrophobicContact CB-CB 4.26Å; F368-L374 HydrophobicContact CD2-CB 4.04Å; F368-L374 HydrophobicContact CD2-CD1 3.92Å; F368-L374 HydrophobicContact CE2-CD1 4.17Å; F368-L374 HydrophobicContact CG-CB 4.25Å; F368-H377 HydrophobicContact CE1-CB 4.02Å; F368-H377 HydrophobicContact CE2-CB 4.01Å; F368-H377 AromaticContact CE2-CD2 3.22Å; F368-H377 WeakPolarHBondContact CE2-CD2 3.23Å; F368-H377 AromaticContact CE2-CG 3.72Å; F368-H377 HydrophobicContact CZ-CB 3.55Å; F368-H377 AromaticContact CZ-CD2 3.25Å; F368-H377 WeakPolarHBondContact CZ-CD2 3.39Å; F368-H377 AromaticContact CZ-CG 3.29Å; F368-H377 AromaticContact CZ-NE2 3.94Å
369	I	74.8	Confident	77.3	Confident	48 Å²	48	64.1 Å²	64.1	25%	0.246	34%	0.344	C	S	.	.	S	Bend	trans	-77.5	-31.9	-177.9	-60.7	178.9	0	0	0	111.7	R348 R351 I352 R357 Y359	R348-I369 HydrophobicContact CG-CG2 4.5Å; R351-I369 HydrophobicContact CB-CG2 3.71Å; R351-I369 PolarHBondContact NH1-O 3.04Å; I352-I369 HydrophobicContact CG1-CD1 4.08Å; R357-I369 HydrophobicContact CG-CG1 3.91Å; Y359-I369 WeakPolarHBondContact CE2-O 3.42Å
370	D	78.4	Confident	76.3	Confident	41 Å²	41	64.6 Å²	64.6	22%	0.219	35%	0.351	C	S	.	.	S	Bend	trans	-131.8	154.2	172.7	74	20.9	0	0	0	113.9	R348 Y359 S372 A373 L374	R348-D370 IonicContact NH1-OD2 2.7Å; R348-D370 PolarHBondContact NH1-OD2 2.88Å; R348-D370 VanDerWaalsContact NH1-OD2 3.15Å; Y359-D370 VanDerWaalsContact CD2-CA 3.47Å; D370-S372 PolarHBondContact O-N 3.22Å; D370-S372 PolarHBondContact OD1-N 3.38Å; D370-A373 PolarHBondContact O-N 3.09Å; D370-A373 WeakPolarHBondContact OD1-CB 3.34Å; D370-A373 PolarHBondContact OD1-N 3.04Å; D370-L374 PolarHBondContact O-N 2.78Å
371	K	78.4	Confident	75.5	Confident	127 Å²	127	61.9 Å²	61.9	55%	0.552	34%	0.339	S	S	*	.	H	α-helix	trans	-63.1	-28	-179.1	-167.8	174.5	-179.4	175.5	0	112.1	Y359 L374 I375	Y359-K371 HydrophobicContact CD1-CB 3.92Å; Y359-K371 HydrophobicContact CD1-CG 4.3Å; Y359-K371 HydrophobicContact CE1-CB 3.8Å; Y359-K371 HydrophobicContact CE1-CG 4.37Å; Y359-K371 HydrophobicContact CE2-CB 4.49Å; Y359-K371 HydrophobicContact CG-CB 4.31Å; K371-L374 PolarHBondContact O-N 2.82Å; K371-I375 HydrophobicContact CG-CD1 4.04Å; K371-I375 HydrophobicContact CG-CG1 4.46Å; K371-I375 VanDerWaalsContact O-CG1 3.31Å; K371-I375 WeakPolarHBondContact O-CG1 3.41Å; K371-I375 PolarHBondContact O-N 2.77Å
372	S	75.1	Confident	74.6	Confident	79 Å²	79	64.7 Å²	64.7	55%	0.552	37%	0.367	S	S	*	.	H	α-helix	trans	-68.2	-39.3	178.6	-54.6	0	0	0	0	112.2	D370 V376	D370-S372 PolarHBondContact O-N 3.22Å; D370-S372 PolarHBondContact OD1-N 3.38Å; S372-V376 VanDerWaalsContact O-CG2 3.3Å; S372-V376 WeakPolarHBondContact O-CG2 3.48Å; S372-V376 PolarHBondContact O-N 3.41Å; S372-V376 VanDerWaalsContact O-N 3.09Å
373	A	73.9	Confident	73.4	Confident	30 Å²	30	62.5 Å²	62.5	25%	0.248	36%	0.361	C	S	.	.	H	α-helix	trans	-67.1	-38.1	172.6	0	0	0	0	0	112.1	F368 D370 V376 H377	F368-A373 HydrophobicContact CB-CB 4.3Å; F368-A373 HydrophobicContact CD1-CB 3.82Å; F368-A373 HydrophobicContact CG-CB 4.36Å; D370-A373 PolarHBondContact O-N 3.09Å; D370-A373 WeakPolarHBondContact OD1-CB 3.34Å; D370-A373 PolarHBondContact OD1-N 3.04Å; A373-V376 PolarHBondContact O-N 3.12Å; A373-H377 VanDerWaalsContact O-CB 3.32Å; A373-H377 WeakPolarHBondContact O-CB 3.45Å; A373-H377 PolarHBondContact O-N 3.33Å
374	L	80.8	Confident	72.4	Confident	16 Å²	16	63 Å²	63	8%	0.084	36%	0.364	C	S	.	.	H	α-helix	trans	-61.5	-48.7	173.1	173.3	60.1	0	0	0	111.8	E360 C361 F368 D370 K371 V376 H377 Q378	E360-L374 WeakPolarHBondContact O-CD2 3.42Å; C361-L374 HydrophobicContact CB-CD1 3.61Å; F368-L374 HydrophobicContact CB-CB 4.26Å; F368-L374 HydrophobicContact CD2-CB 4.04Å; F368-L374 HydrophobicContact CD2-CD1 3.92Å; F368-L374 HydrophobicContact CE2-CD1 4.17Å; F368-L374 HydrophobicContact CG-CB 4.25Å; D370-L374 PolarHBondContact O-N 2.78Å; K371-L374 PolarHBondContact O-N 2.82Å; L374-V376 VanDerWaalsContact C-N 3.32Å; L374-V376 PolarHBondContact O-N 2.96Å; L374-H377 CarbonylContact O-C 3.26Å; L374-H377 WeakPolarHBondContact O-CA 3.37Å; L374-H377 WeakPolarHBondContact O-CB 3.3Å; L374-H377 PolarHBondContact O-N 2.92Å; L374-Q378 HydrophobicContact CD1-CG 3.92Å; L374-Q378 HydrophobicContact CG-CG 4.39Å; L374-Q378 WeakPolarHBondContact O-CG 3.34Å; L374-Q378 PolarHBondContact O-N 3.34Å
375	I	76.1	Confident	71.2	Confident	83 Å²	83	67.3 Å²	67.3	43%	0.426	38%	0.377	S	S	.	.	H	α-helix	trans	-60.4	-41.1	178.2	-69.8	163.6	0	0	0	111.5	K371 H377 Q378	K371-I375 HydrophobicContact CG-CD1 4.04Å; K371-I375 HydrophobicContact CG-CG1 4.46Å; K371-I375 VanDerWaalsContact O-CG1 3.31Å; K371-I375 WeakPolarHBondContact O-CG1 3.41Å; K371-I375 PolarHBondContact O-N 2.77Å; I375-H377 PolarHBondContact O-N 3.05Å; I375-Q378 PolarHBondContact O-N 3.46Å
376	V	68.4	Low	70.7	Confident	38 Å²	38	66 Å²	66	23%	0.23	36%	0.361	C	S	.	.	H	α-helix	trans	-67.8	-24.9	174.7	172.5	0	0	0	0	112.1	S372 A373 L374 F397	S372-V376 VanDerWaalsContact O-CG2 3.3Å; S372-V376 WeakPolarHBondContact O-CG2 3.48Å; S372-V376 PolarHBondContact O-N 3.41Å; S372-V376 VanDerWaalsContact O-N 3.09Å; A373-V376 PolarHBondContact O-N 3.12Å; L374-V376 VanDerWaalsContact C-N 3.32Å; L374-V376 PolarHBondContact O-N 2.96Å; V376-F397 HydrophobicContact CG1-CB 3.84Å
377	H	73.7	Confident	70.5	Confident	19 Å²	19	66 Å²	66	9%	0.088	36%	0.358	C	S	.	.	H	α-helix	trans	-83.2	-36.2	176	173.4	53	0	0	0	113.5	C364 F368 A373 L374 I375 K379 I380 H381	C364-H377 PolarHBondContact SG-NE2 3.06Å; F368-H377 HydrophobicContact CE1-CB 4.02Å; F368-H377 HydrophobicContact CE2-CB 4.01Å; F368-H377 AromaticContact CE2-CD2 3.22Å; F368-H377 WeakPolarHBondContact CE2-CD2 3.23Å; F368-H377 AromaticContact CE2-CG 3.72Å; F368-H377 HydrophobicContact CZ-CB 3.55Å; F368-H377 AromaticContact CZ-CD2 3.25Å; F368-H377 WeakPolarHBondContact CZ-CD2 3.39Å; F368-H377 AromaticContact CZ-CG 3.29Å; F368-H377 AromaticContact CZ-NE2 3.94Å; A373-H377 VanDerWaalsContact O-CB 3.32Å; A373-H377 WeakPolarHBondContact O-CB 3.45Å; A373-H377 PolarHBondContact O-N 3.33Å; L374-H377 CarbonylContact O-C 3.26Å; L374-H377 WeakPolarHBondContact O-CA 3.37Å; L374-H377 WeakPolarHBondContact O-CB 3.3Å; L374-H377 PolarHBondContact O-N 2.92Å; I375-H377 PolarHBondContact O-N 3.05Å; H377-K379 PolarHBondContact O-N 3.47Å; H377-I380 WeakPolarHBondContact ND1-CD1 3.47Å; H377-I380 WeakPolarHBondContact O-CB 3.37Å; H377-I380 VanDerWaalsContact O-CG1 3.23Å; H377-I380 WeakPolarHBondContact O-CG1 3.25Å; H377-I380 PolarHBondContact O-N 3.34Å; H377-H381 AromaticContact CE1-NE2 3.82Å; H377-H381 AromaticContact NE2-NE2 3.56Å
378	Q	72.8	Confident	69.9	Low	64 Å²	64	66.5 Å²	66.5	30%	0.299	36%	0.357	S	S	.	.	H	α-helix	trans	-62.7	-28.5	176.6	-71.3	173.1	-69	0	0	111.9	L374 I375 I380 H381 G382	L374-Q378 HydrophobicContact CD1-CG 3.92Å; L374-Q378 HydrophobicContact CG-CG 4.39Å; L374-Q378 WeakPolarHBondContact O-CG 3.34Å; L374-Q378 PolarHBondContact O-N 3.34Å; I375-Q378 PolarHBondContact O-N 3.46Å; Q378-I380 PolarHBondContact O-N 2.95Å; Q378-I380 VanDerWaalsContact O-N 3.09Å; Q378-H381 PolarHBondContact O-N 2.96Å; Q378-G382 PolarHBondContact O-N 3.08Å; Q378-G382 VanDerWaalsContact O-N 3.15Å
379	K	71.6	Confident	69.5	Low	71 Å²	71	64.5 Å²	64.5	31%	0.309	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-7.4	168.2	-74.1	177.6	170.2	-73.4	0	115.1	H377 E384	H377-K379 PolarHBondContact O-N 3.47Å; K379-E384 IonicContact NZ-OE2 2.65Å; K379-E384 PolarHBondContact NZ-OE2 3.37Å
380	I	64.4	Low	69.4	Low	89 Å²	89	69.5 Å²	69.5	46%	0.456	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-36.2	169	-56.5	-173.5	0	0	0	110.8	H377 Q378 F397	H377-I380 WeakPolarHBondContact ND1-CD1 3.47Å; H377-I380 WeakPolarHBondContact O-CB 3.37Å; H377-I380 VanDerWaalsContact O-CG1 3.23Å; H377-I380 WeakPolarHBondContact O-CG1 3.25Å; H377-I380 PolarHBondContact O-N 3.34Å; Q378-I380 PolarHBondContact O-N 2.95Å; Q378-I380 VanDerWaalsContact O-N 3.09Å; I380-F397 HydrophobicContact CB-CE1 4.43Å; I380-F397 HydrophobicContact CB-CZ 4.48Å; I380-F397 HydrophobicContact CD1-CE2 4.27Å; I380-F397 HydrophobicContact CD1-CZ 4.26Å; I380-F397 HydrophobicContact CG1-CD1 4.22Å; I380-F397 HydrophobicContact CG1-CE1 3.73Å; I380-F397 HydrophobicContact CG1-CE2 4.12Å; I380-F397 HydrophobicContact CG1-CZ 3.69Å
381	H	67.5	Low	69.1	Low	67 Å²	67	72.9 Å²	72.9	31%	0.31	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-44.1	-176.1	-51.1	-54.9	0	0	0	111.9	C361 E363 C364 H377 Q378 G383	C361-H381 PolarHBondContact SG-NE2 2.85Å; E363-H381 IonicContact OE1-CD2 3.4Å; E363-H381 WeakPolarHBondContact OE2-CB 3.47Å; E363-H381 IonicContact OE2-CD2 3.45Å; E363-H381 IonicContact OE2-CG 3.03Å; C364-H381 VanDerWaalsContact SG-CE1 3.6Å; C364-H381 PolarHBondContact SG-NE2 2.8Å; H377-H381 AromaticContact CE1-NE2 3.82Å; H377-H381 AromaticContact NE2-NE2 3.56Å; Q378-H381 PolarHBondContact O-N 2.96Å; H381-G383 PolarHBondContact O-N 2.88Å
382	G	64.5	Low	68.7	Low	58 Å²	58	69.2 Å²	69.2	60%	0.598	38%	0.38	S	S	*	.	S	Bend	trans	-70.5	11.5	-176.1	0	0	0	0	0	116.7	Q378 E384	Q378-G382 PolarHBondContact O-N 3.08Å; Q378-G382 VanDerWaalsContact O-N 3.15Å; G382-E384 PolarHBondContact O-N 3.4Å
383	G	56.7	Low	68.2	Low	60 Å²	60	67.4 Å²	67.4	62%	0.619	37%	0.373	S	S	*	.			trans	67.6	-11.5	172.9	0	0	0	0	0	117.5	H381 K385	H381-G383 PolarHBondContact O-N 2.88Å; G383-K385 PolarHBondContact O-N 3.33Å
384	E	57.3	Low	67.8	Low	119 Å²	119	71.3 Å²	71.3	56%	0.556	38%	0.384	S	S	*	.			trans	-61	92.9	177.3	-75.3	-167.6	131.6	0	0	111.9	K379 G382 S386	K379-E384 IonicContact NZ-OE2 2.65Å; K379-E384 PolarHBondContact NZ-OE2 3.37Å; G382-E384 PolarHBondContact O-N 3.4Å; E384-S386 PolarHBondContact O-N 3.28Å; E384-S386 PolarHBondContact O-OG 3.43Å
385	K	51.1	Low	66.9	Low	141 Å²	141	73.2 Å²	73.2	61%	0.613	40%	0.397	S	S	*	.			trans	-53.6	82.1	172.3	-76.6	-176.1	146.5	-159.9	0	111.6	G383 Y387 E388 T395	G383-K385 PolarHBondContact O-N 3.33Å; K385-Y387 PolarHBondContact O-N 3.27Å; K385-E388 VanDerWaalsContact CD-OE2 3.3Å; K385-E388 WeakPolarHBondContact CD-OE2 3.24Å; K385-E388 VanDerWaalsContact CE-OE2 3.26Å; K385-E388 WeakPolarHBondContact CE-OE2 3.37Å; K385-E388 IonicContact NZ-OE1 3.24Å; K385-E388 PolarHBondContact NZ-OE1 3.35Å; K385-E388 IonicContact NZ-OE2 3.15Å; K385-E388 PolarHBondContact NZ-OE2 3.31Å; K385-T395 HydrophobicContact CB-CG2 4.27Å; K385-T395 HydrophobicContact CD-CG2 4.39Å; K385-T395 HydrophobicContact CG-CG2 4.05Å
386	S	68.4	Low	66.7	Low	15 Å²	15	71.4 Å²	71.4	11%	0.105	39%	0.386	C	S	.	.			trans	-72.7	116	175.6	-62.8	0	0	0	0	108.2	E384 F396	E384-S386 PolarHBondContact O-N 3.28Å; E384-S386 PolarHBondContact O-OG 3.43Å; S386-F396 CarbonylContact C-O 3.16Å; S386-F396 CarbonylContact O-C 3.58Å; S386-F396 PolarHBondContact O-N 3.44Å
387	Y	67.6	Low	66.4	Low	120 Å²	120	73.2 Å²	73.2	47%	0.471	39%	0.391	S	S	.	.	S	Bend	trans	49.8	85.5	172.2	-48.1	-80.3	0	0	0	114.7	K385 F396 K399	K385-Y387 PolarHBondContact O-N 3.27Å; Y387-F396 WeakPolarHBondContact CB-O 3.19Å; Y387-F396 WeakPolarHBondContact CD2-O 3.38Å; Y387-F396 PolarHBondContact O-N 3.19Å; Y387-K399 HydrophobicContact CD1-CB 3.95Å; Y387-K399 HydrophobicContact CD1-CG 4.22Å; Y387-K399 HydrophobicContact CD2-CB 4.49Å; Y387-K399 HydrophobicContact CE1-CB 3.76Å; Y387-K399 HydrophobicContact CE1-CD 4.4Å; Y387-K399 HydrophobicContact CE1-CG 4.16Å; Y387-K399 HydrophobicContact CE2-CB 4.34Å; Y387-K399 HydrophobicContact CG-CB 4.31Å
388	E	63.6	Low	66.1	Low	69 Å²	69	78.8 Å²	78.8	32%	0.322	41%	0.411	S	S	.	.	B	Isolated β-bridge	trans	-81.6	148.1	172.3	-167	159.9	163.1	0	0	112.3	K385 G393 K394 T395 L402	K385-E388 VanDerWaalsContact CD-OE2 3.3Å; K385-E388 WeakPolarHBondContact CD-OE2 3.24Å; K385-E388 VanDerWaalsContact CE-OE2 3.26Å; K385-E388 WeakPolarHBondContact CE-OE2 3.37Å; K385-E388 IonicContact NZ-OE1 3.24Å; K385-E388 PolarHBondContact NZ-OE1 3.35Å; K385-E388 IonicContact NZ-OE2 3.15Å; K385-E388 PolarHBondContact NZ-OE2 3.31Å; E388-G393 WeakPolarHBondContact OE1-CA 3.21Å; E388-K394 CarbonylContact C-O 3.56Å; E388-K394 WeakPolarHBondContact CA-O 3.42Å; E388-T395 HydrophobicContact CB-CG2 4.2Å; E388-T395 HydrophobicContact CG-CG2 4.11Å; E388-L402 WeakPolarHBondContact O-CD2 3.45Å
389	C	74.9	Confident	66	Low	0 Å²	0	83 Å²	83	0%	0	43%	0.428	C	S	.	.			trans	-92.2	109	172.8	-176.9	0	0	0	0	110.5	E391 C392 G393 K394 F396 L402 F406	C389-E391 PolarHBondContact O-N 3.3Å; C389-C392 PolarHBondContact O-N 2.9Å; C389-G393 PolarHBondContact O-N 3.35Å; C389-K394 PolarHBondContact N-O 2.82Å; C389-F396 HydrophobicContact CB-CE2 4.35Å; C389-L402 HydrophobicContact CB-CD1 3.52Å; C389-F406 VanDerWaalsContact SG-CE1 3.51Å
390	N	72.6	Confident	66.2	Low	154 Å²	154	83.8 Å²	83.8	82%	0.824	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-25.3	-177.1	-61.3	11.3	0	0	0	114
391	E	71.1	Confident	66.6	Low	112 Å²	112	81.1 Å²	81.1	52%	0.523	43%	0.434	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-16.1	-179.8	-68.9	-175.6	-110.6	0	0	115.1	C389 H409	C389-E391 PolarHBondContact O-N 3.3Å; E391-H409 WeakPolarHBondContact CB-CE1 3.39Å; E391-H409 WeakPolarHBondContact CB-ND1 3.42Å; E391-H409 VanDerWaalsContact OE1-CB 3.24Å; E391-H409 WeakPolarHBondContact OE1-CB 3.35Å; E391-H409 IonicContact OE1-CG 3.9Å; E391-H409 IonicContact OE1-ND1 3.81Å; E391-H409 VanDerWaalsContact OE2-CB 3.3Å; E391-H409 WeakPolarHBondContact OE2-CB 3.37Å; E391-H409 IonicContact OE2-CE1 3.98Å; E391-H409 IonicContact OE2-CG 3.77Å; E391-H409 IonicContact OE2-ND1 3.3Å; E391-H409 PolarHBondContact OE2-ND1 2.58Å
392	C	70.2	Confident	67.2	Low	50 Å²	50	78.7 Å²	78.7	34%	0.338	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-151.7	14.5	178.7	72.5	0	0	0	0	117	C389 K394 H405 H409	C389-C392 PolarHBondContact O-N 2.9Å; C392-K394 PolarHBondContact O-N 3.13Å; C392-K394 VanDerWaalsContact SG-CD 3.58Å; C392-K394 PolarHBondContact SG-NZ 3.11Å; C392-K394 VanDerWaalsContact SG-NZ 3.39Å; C392-H405 PolarHBondContact SG-NE2 2.96Å; C392-H409 PolarHBondContact SG-NE2 2.99Å
393	G	64	Low	67.8	Low	40 Å²	40	78.4 Å²	78.4	41%	0.412	42%	0.415	S	S	.	.			trans	67	6.3	174.2	0	0	0	0	0	115.8	E388 C389	E388-G393 WeakPolarHBondContact OE1-CA 3.21Å; C389-G393 PolarHBondContact O-N 3.35Å
394	K	65.5	Low	68.8	Low	113 Å²	113	79.5 Å²	79.5	49%	0.491	40%	0.404	S	S	.	.			trans	-76.9	129.1	-179.9	-69.5	176.7	-164.7	132.8	0	110.8	E388 C389 C392 F396	E388-K394 CarbonylContact C-O 3.56Å; E388-K394 WeakPolarHBondContact CA-O 3.42Å; C389-K394 PolarHBondContact N-O 2.82Å; C392-K394 PolarHBondContact O-N 3.13Å; C392-K394 VanDerWaalsContact SG-CD 3.58Å; C392-K394 PolarHBondContact SG-NZ 3.11Å; C392-K394 VanDerWaalsContact SG-NZ 3.39Å; K394-F396 HydrophobicContact CB-CD2 4.48Å; K394-F396 HydrophobicContact CB-CE2 3.5Å; K394-F396 HydrophobicContact CB-CZ 3.9Å; K394-F396 VanDerWaalsContact O-CD2 3.3Å; K394-F396 WeakPolarHBondContact O-CD2 3.29Å; K394-F396 VanDerWaalsContact O-CE2 3.26Å; K394-F396 WeakPolarHBondContact O-CE2 3.41Å
395	T	61.9	Low	69.8	Low	55 Å²	55	74.8 Å²	74.8	34%	0.337	38%	0.382	S	S	.	.	B	Isolated β-bridge	trans	-99.4	137.3	-178	54.5	0	0	0	0	112	K385 E388	K385-T395 HydrophobicContact CB-CG2 4.27Å; K385-T395 HydrophobicContact CD-CG2 4.39Å; K385-T395 HydrophobicContact CG-CG2 4.05Å; E388-T395 HydrophobicContact CB-CG2 4.2Å; E388-T395 HydrophobicContact CG-CG2 4.11Å
396	F	72	Confident	70.8	Confident	46 Å²	46	71 Å²	71	20%	0.202	37%	0.366	C	S	.	.			trans	-131.9	116.2	-173.1	-65.6	-94.1	0	0	0	112.5	S386 Y387 C389 K394 R398 A401 L402 H405	S386-F396 CarbonylContact C-O 3.16Å; S386-F396 CarbonylContact O-C 3.58Å; S386-F396 PolarHBondContact O-N 3.44Å; Y387-F396 WeakPolarHBondContact CB-O 3.19Å; Y387-F396 WeakPolarHBondContact CD2-O 3.38Å; Y387-F396 PolarHBondContact O-N 3.19Å; C389-F396 HydrophobicContact CB-CE2 4.35Å; K394-F396 HydrophobicContact CB-CD2 4.48Å; K394-F396 HydrophobicContact CB-CE2 3.5Å; K394-F396 HydrophobicContact CB-CZ 3.9Å; K394-F396 VanDerWaalsContact O-CD2 3.3Å; K394-F396 WeakPolarHBondContact O-CD2 3.29Å; K394-F396 VanDerWaalsContact O-CE2 3.26Å; K394-F396 WeakPolarHBondContact O-CE2 3.41Å; F396-R398 PolarHBondContact O-N 3.31Å; F396-A401 HydrophobicContact CB-CB 4.24Å; F396-A401 HydrophobicContact CD1-CB 4.03Å; F396-L402 HydrophobicContact CB-CB 4.07Å; F396-L402 HydrophobicContact CD2-CB 4.19Å; F396-L402 HydrophobicContact CD2-CD1 3.82Å; F396-L402 HydrophobicContact CE2-CD1 4.15Å; F396-L402 HydrophobicContact CG-CB 4.26Å; F396-H405 HydrophobicContact CE1-CB 3.88Å; F396-H405 HydrophobicContact CE2-CB 4.08Å; F396-H405 AromaticContact CE2-CD2 3.14Å; F396-H405 WeakPolarHBondContact CE2-CD2 3.47Å; F396-H405 AromaticContact CE2-CG 3.77Å; F396-H405 AromaticContact CE2-NE2 3.92Å; F396-H405 HydrophobicContact CZ-CB 3.57Å; F396-H405 AromaticContact CZ-CD2 3.18Å; F396-H405 WeakPolarHBondContact CZ-CD2 3.33Å; F396-H405 AromaticContact CZ-CG 3.33Å; F396-H405 AromaticContact CZ-NE2 3.92Å
397	F	62.2	Low	71.4	Confident	76 Å²	76	73.4 Å²	73.4	33%	0.333	37%	0.372	S	S	.	.	S	Bend	trans	-60.9	6.4	-177.7	-45.6	-75.7	0	0	0	116.7	V376 I380	V376-F397 HydrophobicContact CG1-CB 3.84Å; I380-F397 HydrophobicContact CB-CE1 4.43Å; I380-F397 HydrophobicContact CB-CZ 4.48Å; I380-F397 HydrophobicContact CD1-CE2 4.27Å; I380-F397 HydrophobicContact CD1-CZ 4.26Å; I380-F397 HydrophobicContact CG1-CD1 4.22Å; I380-F397 HydrophobicContact CG1-CE1 3.73Å; I380-F397 HydrophobicContact CG1-CE2 4.12Å; I380-F397 HydrophobicContact CG1-CZ 3.69Å
398	R	67.8	Low	71.6	Confident	136 Å²	136	71.7 Å²	71.7	51%	0.513	38%	0.378	S	S	.	.	S	Bend	trans	-149.4	134.2	172	-56.9	-175.5	-175.6	94	3.7	110.7	F396 S400 A401 L402	F396-R398 PolarHBondContact O-N 3.31Å; R398-S400 PolarHBondContact O-N 3.08Å; R398-S400 VanDerWaalsContact O-N 3.14Å; R398-A401 HydrophobicContact CB-CB 4.34Å; R398-A401 WeakPolarHBondContact O-CB 3.42Å; R398-A401 PolarHBondContact O-N 3.36Å; R398-L402 PolarHBondContact O-N 2.94Å
399	K	71.7	Confident	72	Confident	153 Å²	153	71.2 Å²	71.2	67%	0.665	38%	0.376	S	S	*	.	H	α-helix	trans	-51.7	-37	174.1	-170.7	178.3	179.8	-178.5	0	112.9	Y387 A401 L402 A403	Y387-K399 HydrophobicContact CD1-CB 3.95Å; Y387-K399 HydrophobicContact CD1-CG 4.22Å; Y387-K399 HydrophobicContact CD2-CB 4.49Å; Y387-K399 HydrophobicContact CE1-CB 3.76Å; Y387-K399 HydrophobicContact CE1-CD 4.4Å; Y387-K399 HydrophobicContact CE1-CG 4.16Å; Y387-K399 HydrophobicContact CE2-CB 4.34Å; Y387-K399 HydrophobicContact CG-CB 4.31Å; K399-A401 VanDerWaalsContact C-N 3.34Å; K399-A401 PolarHBondContact O-N 3.4Å; K399-L402 PolarHBondContact O-N 2.84Å; K399-A403 WeakPolarHBondContact O-CB 3.44Å; K399-A403 PolarHBondContact O-N 3.12Å
400	S	74.7	Confident	72	Confident	86 Å²	86	75 Å²	75	60%	0.601	40%	0.399	S	S	*	.	H	α-helix	trans	-68.7	-26.5	177.1	53.1	0	0	0	0	114.4	R398 E404	R398-S400 PolarHBondContact O-N 3.08Å; R398-S400 VanDerWaalsContact O-N 3.14Å; S400-E404 WeakPolarHBondContact O-CB 3.16Å; S400-E404 PolarHBondContact O-N 3.33Å; S400-E404 VanDerWaalsContact O-N 3.09Å
401	A	74	Confident	72	Confident	33 Å²	33	69.7 Å²	69.7	27%	0.273	38%	0.381	S	S	.	.	H	α-helix	trans	-78.4	-35.9	173.4	0	0	0	0	0	111.4	F396 R398 K399 E404 H405	F396-A401 HydrophobicContact CB-CB 4.24Å; F396-A401 HydrophobicContact CD1-CB 4.03Å; R398-A401 HydrophobicContact CB-CB 4.34Å; R398-A401 WeakPolarHBondContact O-CB 3.42Å; R398-A401 PolarHBondContact O-N 3.36Å; K399-A401 VanDerWaalsContact C-N 3.34Å; K399-A401 PolarHBondContact O-N 3.4Å; A401-E404 PolarHBondContact O-N 3.45Å; A401-H405 WeakPolarHBondContact O-CB 3.21Å; A401-H405 PolarHBondContact O-N 3.36Å
402	L	79.3	Confident	72.1	Confident	16 Å²	16	68.9 Å²	68.9	8%	0.084	38%	0.377	C	S	.	.	H	α-helix	trans	-63	-46.5	169.5	176.5	58.8	0	0	0	111.3	E388 C389 F396 R398 K399 E404 H405 F406	E388-L402 WeakPolarHBondContact O-CD2 3.45Å; C389-L402 HydrophobicContact CB-CD1 3.52Å; F396-L402 HydrophobicContact CB-CB 4.07Å; F396-L402 HydrophobicContact CD2-CB 4.19Å; F396-L402 HydrophobicContact CD2-CD1 3.82Å; F396-L402 HydrophobicContact CE2-CD1 4.15Å; F396-L402 HydrophobicContact CG-CB 4.26Å; R398-L402 PolarHBondContact O-N 2.94Å; K399-L402 PolarHBondContact O-N 2.84Å; L402-E404 VanDerWaalsContact C-N 3.32Å; L402-E404 PolarHBondContact O-N 3.24Å; L402-H405 CarbonylContact O-C 3.1Å; L402-H405 WeakPolarHBondContact O-CA 3.48Å; L402-H405 WeakPolarHBondContact O-CB 3.26Å; L402-H405 PolarHBondContact O-N 2.83Å; L402-F406 HydrophobicContact CD1-CD2 3.81Å; L402-F406 HydrophobicContact CD1-CE2 3.53Å; L402-F406 HydrophobicContact CD1-CZ 4.12Å; L402-F406 HydrophobicContact CD2-CD2 4.49Å; L402-F406 HydrophobicContact CD2-CE2 3.78Å; L402-F406 HydrophobicContact CG-CD2 3.75Å; L402-F406 HydrophobicContact CG-CE2 3.49Å; L402-F406 VanDerWaalsContact CG-CE2 3.49Å; L402-F406 HydrophobicContact CG-CZ 4.47Å; L402-F406 WeakPolarHBondContact O-CD2 3.36Å; L402-F406 PolarHBondContact O-N 3.3Å
403	A	77.3	Confident	72.7	Confident	52 Å²	52	72.2 Å²	72.2	43%	0.43	39%	0.386	S	S	.	.	H	α-helix	trans	-62.6	-36.3	177.3	0	0	0	0	0	112.9	K399 H405	K399-A403 WeakPolarHBondContact O-CB 3.44Å; K399-A403 PolarHBondContact O-N 3.12Å; A403-H405 VanDerWaalsContact C-N 3.32Å
404	E	77.7	Confident	73.5	Confident	83 Å²	83	73.6 Å²	73.6	39%	0.388	39%	0.387	S	S	.	.	H	α-helix	trans	-66.3	-35.1	171.7	-163.5	-155.2	77.1	0	0	112	S400 A401 L402 K426	S400-E404 WeakPolarHBondContact O-CB 3.16Å; S400-E404 PolarHBondContact O-N 3.33Å; S400-E404 VanDerWaalsContact O-N 3.09Å; A401-E404 PolarHBondContact O-N 3.45Å; L402-E404 VanDerWaalsContact C-N 3.32Å; L402-E404 PolarHBondContact O-N 3.24Å; E404-K426 WeakPolarHBondContact OE1-CE 3.46Å; E404-K426 IonicContact OE1-NZ 3.28Å; E404-K426 PolarHBondContact OE1-NZ 2.96Å; E404-K426 WeakPolarHBondContact OE2-CD 3.32Å; E404-K426 WeakPolarHBondContact OE2-CE 3.29Å; E404-K426 IonicContact OE2-NZ 3.93Å; E404-K426 PolarHBondContact OE2-NZ 3.01Å
405	H	77.6	Confident	74.4	Confident	20 Å²	20	71.6 Å²	71.6	9%	0.093	38%	0.377	C	S	.	.	H	α-helix	trans	-73.6	-37.4	177.4	170.5	44.2	0	0	0	113.4	C392 F396 A401 L402 A403 R407 S408 H409	C392-H405 PolarHBondContact SG-NE2 2.96Å; F396-H405 HydrophobicContact CE1-CB 3.88Å; F396-H405 HydrophobicContact CE2-CB 4.08Å; F396-H405 AromaticContact CE2-CD2 3.14Å; F396-H405 WeakPolarHBondContact CE2-CD2 3.47Å; F396-H405 AromaticContact CE2-CG 3.77Å; F396-H405 AromaticContact CE2-NE2 3.92Å; F396-H405 HydrophobicContact CZ-CB 3.57Å; F396-H405 AromaticContact CZ-CD2 3.18Å; F396-H405 WeakPolarHBondContact CZ-CD2 3.33Å; F396-H405 AromaticContact CZ-CG 3.33Å; F396-H405 AromaticContact CZ-NE2 3.92Å; A401-H405 WeakPolarHBondContact O-CB 3.21Å; A401-H405 PolarHBondContact O-N 3.36Å; L402-H405 CarbonylContact O-C 3.1Å; L402-H405 WeakPolarHBondContact O-CA 3.48Å; L402-H405 WeakPolarHBondContact O-CB 3.26Å; L402-H405 PolarHBondContact O-N 2.83Å; A403-H405 VanDerWaalsContact C-N 3.32Å; H405-R407 PolarHBondContact O-N 3.1Å; H405-R407 VanDerWaalsContact O-N 3.12Å; H405-S408 PolarHBondContact CE1-OG 3.47Å; H405-S408 PolarHBondContact ND1-OG 3.03Å; H405-S408 WeakPolarHBondContact O-CA 3.3Å; H405-S408 WeakPolarHBondContact O-CB 3.32Å; H405-S408 PolarHBondContact O-N 3.21Å; H405-S408 PolarHBondContact O-OG 2.94Å; H405-H409 AromaticContact CE1-CD2 3.67Å; H405-H409 AromaticContact CE1-NE2 3.41Å; H405-H409 PolarHBondContact CE1-NE2 2.87Å; H405-H409 AromaticContact NE2-CD2 3.88Å; H405-H409 AromaticContact NE2-NE2 3.48Å; H405-H409 PolarHBondContact NE2-NE2 3.43Å
406	F	72.6	Confident	75.4	Confident	63 Å²	63	74.8 Å²	74.8	28%	0.276	39%	0.388	S	S	.	.	H	α-helix	trans	-56.4	-30.1	176.4	-87.7	-62.3	0	0	0	112.7	C389 L402 S408 H409 T410	C389-F406 VanDerWaalsContact SG-CE1 3.51Å; L402-F406 HydrophobicContact CD1-CD2 3.81Å; L402-F406 HydrophobicContact CD1-CE2 3.53Å; L402-F406 HydrophobicContact CD1-CZ 4.12Å; L402-F406 HydrophobicContact CD2-CD2 4.49Å; L402-F406 HydrophobicContact CD2-CE2 3.78Å; L402-F406 HydrophobicContact CG-CD2 3.75Å; L402-F406 HydrophobicContact CG-CE2 3.49Å; L402-F406 VanDerWaalsContact CG-CE2 3.49Å; L402-F406 HydrophobicContact CG-CZ 4.47Å; L402-F406 WeakPolarHBondContact O-CD2 3.36Å; L402-F406 PolarHBondContact O-N 3.3Å; F406-S408 PolarHBondContact O-N 3.29Å; F406-S408 VanDerWaalsContact O-N 3.11Å; F406-H409 WeakPolarHBondContact O-CA 3.46Å; F406-H409 VanDerWaalsContact O-CB 3.32Å; F406-H409 WeakPolarHBondContact O-CB 3.43Å; F406-H409 PolarHBondContact O-N 2.9Å; F406-T410 PolarHBondContact O-N 3.36Å; F406-T410 PolarHBondContact O-OG1 3.22Å
407	R	80.9	Confident	76	Confident	64 Å²	64	72.6 Å²	72.6	24%	0.242	38%	0.379	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-17.3	172	-60	-179.7	179.5	161.5	3	114.7	H405 H409 G411 E412 S425	H405-R407 PolarHBondContact O-N 3.1Å; H405-R407 VanDerWaalsContact O-N 3.12Å; R407-H409 VanDerWaalsContact C-N 3.34Å; R407-G411 CarbonylContact O-C 3.58Å; R407-G411 WeakPolarHBondContact O-CA 3.08Å; R407-G411 PolarHBondContact O-N 3.15Å; R407-E412 HydrophobicContact CB-CB 4.13Å; R407-E412 HydrophobicContact CG-CB 3.98Å; R407-E412 PolarHBondContact O-N 3.17Å; R407-S425 PolarHBondContact NH1-O 3.5Å
408	S	72.1	Confident	76.8	Confident	85 Å²	85	79 Å²	79	59%	0.594	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-11.8	171.5	68	0	0	0	0	113.7	H405 F406	H405-S408 PolarHBondContact CE1-OG 3.47Å; H405-S408 PolarHBondContact ND1-OG 3.03Å; H405-S408 WeakPolarHBondContact O-CA 3.3Å; H405-S408 WeakPolarHBondContact O-CB 3.32Å; H405-S408 PolarHBondContact O-N 3.21Å; H405-S408 PolarHBondContact O-OG 2.94Å; F406-S408 PolarHBondContact O-N 3.29Å; F406-S408 VanDerWaalsContact O-N 3.11Å
409	H	73.2	Confident	77.2	Confident	59 Å²	59	77.5 Å²	77.5	27%	0.273	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	-58.1	170.7	-73.9	-87.9	0	0	0	111.1	E391 C392 H405 F406 R407 G411	E391-H409 WeakPolarHBondContact CB-CE1 3.39Å; E391-H409 WeakPolarHBondContact CB-ND1 3.42Å; E391-H409 VanDerWaalsContact OE1-CB 3.24Å; E391-H409 WeakPolarHBondContact OE1-CB 3.35Å; E391-H409 IonicContact OE1-CG 3.9Å; E391-H409 IonicContact OE1-ND1 3.81Å; E391-H409 VanDerWaalsContact OE2-CB 3.3Å; E391-H409 WeakPolarHBondContact OE2-CB 3.37Å; E391-H409 IonicContact OE2-CE1 3.98Å; E391-H409 IonicContact OE2-CG 3.77Å; E391-H409 IonicContact OE2-ND1 3.3Å; E391-H409 PolarHBondContact OE2-ND1 2.58Å; C392-H409 PolarHBondContact SG-NE2 2.99Å; H405-H409 AromaticContact CE1-CD2 3.67Å; H405-H409 AromaticContact CE1-NE2 3.41Å; H405-H409 PolarHBondContact CE1-NE2 2.87Å; H405-H409 AromaticContact NE2-CD2 3.88Å; H405-H409 AromaticContact NE2-NE2 3.48Å; H405-H409 PolarHBondContact NE2-NE2 3.43Å; F406-H409 WeakPolarHBondContact O-CA 3.46Å; F406-H409 VanDerWaalsContact O-CB 3.32Å; F406-H409 WeakPolarHBondContact O-CB 3.43Å; F406-H409 PolarHBondContact O-N 2.9Å; R407-H409 VanDerWaalsContact C-N 3.34Å; H409-G411 PolarHBondContact O-N 2.75Å; H409-G411 VanDerWaalsContact O-N 3.12Å
410	T	73.3	Confident	77.3	Confident	79 Å²	79	72.7 Å²	72.7	49%	0.485	39%	0.39	S	S	.	.	S	Bend	trans	-66	-14.8	179	64.3	0	0	0	0	113.4	F406 E412	F406-T410 PolarHBondContact O-N 3.36Å; F406-T410 PolarHBondContact O-OG1 3.22Å; T410-E412 WeakPolarHBondContact CB-OE1 3.37Å; T410-E412 PolarHBondContact O-N 3.5Å; T410-E412 VanDerWaalsContact OG1-CD 3.25Å; T410-E412 WeakPolarHBondContact OG1-CG 3.44Å; T410-E412 PolarHBondContact OG1-OE1 3.18Å
411	G	72.6	Confident	77.4	Confident	43 Å²	43	70.8 Å²	70.8	44%	0.443	38%	0.384	S	S	.	.			trans	74.7	2.5	-178.4	0	0	0	0	0	114.4	R407 H409 K413	R407-G411 CarbonylContact O-C 3.58Å; R407-G411 WeakPolarHBondContact O-CA 3.08Å; R407-G411 PolarHBondContact O-N 3.15Å; H409-G411 PolarHBondContact O-N 2.75Å; H409-G411 VanDerWaalsContact O-N 3.12Å; G411-K413 WeakPolarHBondContact O-CE 3.21Å
412	E	74.2	Confident	77.4	Confident	94 Å²	94	73.2 Å²	73.2	44%	0.439	39%	0.392	S	S	.	.			trans	-52.4	135.6	-179.7	-84.3	166.6	-115.5	0	0	113.7	R407 T410	R407-E412 HydrophobicContact CB-CB 4.13Å; R407-E412 HydrophobicContact CG-CB 3.98Å; R407-E412 PolarHBondContact O-N 3.17Å; T410-E412 WeakPolarHBondContact CB-OE1 3.37Å; T410-E412 PolarHBondContact O-N 3.5Å; T410-E412 VanDerWaalsContact OG1-CD 3.25Å; T410-E412 WeakPolarHBondContact OG1-CG 3.44Å; T410-E412 PolarHBondContact OG1-OE1 3.18Å
413	K	81.3	Confident	77.5	Confident	121 Å²	121	74.3 Å²	74.3	53%	0.526	40%	0.404	S	S	.	.			trans	-135.8	73	177.2	-68.7	173.8	-145.1	160.8	0	111	G411 Y415 A423 F424	G411-K413 WeakPolarHBondContact O-CE 3.21Å; K413-Y415 PolarHBondContact O-N 3.48Å; K413-A423 HydrophobicContact CB-CB 3.55Å; K413-A423 HydrophobicContact CD-CB 4.22Å; K413-A423 VanDerWaalsContact CD-O 3.26Å; K413-A423 WeakPolarHBondContact CD-O 3.42Å; K413-F424 CarbonylContact C-O 2.91Å; K413-F424 VanDerWaalsContact CA-O 3.3Å; K413-F424 WeakPolarHBondContact CA-O 3.29Å
414	P	81.6	Confident	77.7	Confident	69 Å²	69	74 Å²	74	45%	0.448	39%	0.393	S	S	.	.			trans	-68.3	5	-169.9	-21.3	35.2	0	0	0	116.1
415	Y	84.9	Confident	77.6	Confident	71 Å²	71	72 Å²	72	28%	0.278	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	88.2	-175.7	-51.3	-69.3	0	0	0	110.2	K413 F424 S425 K427	K413-Y415 PolarHBondContact O-N 3.48Å; Y415-F424 WeakPolarHBondContact CD2-O 3.08Å; Y415-F424 PolarHBondContact N-O 2.76Å; Y415-F424 VanDerWaalsContact N-O 3.16Å; Y415-F424 PolarHBondContact O-N 2.82Å; Y415-S425 WeakPolarHBondContact CE2-O 3.5Å; Y415-K427 HydrophobicContact CD1-CB 3.8Å; Y415-K427 HydrophobicContact CD1-CG 4.23Å; Y415-K427 HydrophobicContact CD2-CB 4.35Å; Y415-K427 HydrophobicContact CE1-CB 3.86Å; Y415-K427 HydrophobicContact CE1-CD 4.43Å; Y415-K427 HydrophobicContact CE1-CG 4.47Å; Y415-K427 HydrophobicContact CE2-CB 4.37Å; Y415-K427 HydrophobicContact CG-CB 4.05Å
416	E	82.8	Confident	77.6	Confident	122 Å²	122	73.5 Å²	73.5	57%	0.57	39%	0.394	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.2	143.3	-179.6	-162.3	-177.5	148.1	0	0	113.5	G421 A423 L430	E416-G421 WeakPolarHBondContact OE1-CA 3.08Å; E416-A423 HydrophobicContact CG-CB 4.42Å; E416-L430 WeakPolarHBondContact O-CD2 3.36Å
417	C	84.3	Confident	77.8	Confident	0 Å²	0	77.1 Å²	77.1	0%	0	41%	0.41	C	S	.	.			trans	-88.1	102.6	171.8	-166.8	0	0	0	0	111.2	E419 C420 G421 N422 L430 H437	C417-E419 PolarHBondContact O-N 2.67Å; C417-C420 PolarHBondContact O-N 3.29Å; C417-G421 PolarHBondContact O-N 3.26Å; C417-N422 HydrophobicContact CB-CB 4.48Å; C417-N422 WeakPolarHBondContact CB-O 3.45Å; C417-N422 PolarHBondContact N-O 3.39Å; C417-L430 HydrophobicContact CB-CD1 3.54Å; C417-H437 PolarHBondContact SG-NE2 3.07Å; C417-H437 VanDerWaalsContact SG-NE2 3.42Å
418	K	79.5	Confident	77.6	Confident	211 Å²	211	77.3 Å²	77.3	92%	0.917	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.4	-20.5	176.9	-62.7	-166.9	175.7	-166.3	0	115
419	E	76	Confident	77.8	Confident	104 Å²	104	79.1 Å²	79.1	49%	0.486	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-13.4	-178.6	-66.7	165.8	-173.2	0	0	113.1	C417 H437	C417-E419 PolarHBondContact O-N 2.67Å; E419-H437 VanDerWaalsContact OE2-CB 3.23Å; E419-H437 WeakPolarHBondContact OE2-CB 3.49Å; E419-H437 IonicContact OE2-CD2 2.84Å; E419-H437 PolarHBondContact OE2-CD2 3.06Å; E419-H437 IonicContact OE2-CG 3.24Å
420	C	73.9	Confident	78.1	Confident	51 Å²	51	77.1 Å²	77.1	35%	0.345	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-159.6	8.9	-175.7	69	0	0	0	0	116.9	C417 N422 H433 H437	C417-C420 PolarHBondContact O-N 3.29Å; C420-N422 PolarHBondContact O-N 3.34Å; C420-N422 VanDerWaalsContact O-N 3.12Å; C420-N422 PolarHBondContact SG-ND2 3.05Å; C420-H433 PolarHBondContact SG-NE2 3.11Å; C420-H437 VanDerWaalsContact SG-CE1 3.55Å; C420-H437 PolarHBondContact SG-NE2 2.82Å
421	G	76.6	Confident	78.3	Confident	46 Å²	46	76.4 Å²	76.4	47%	0.474	40%	0.403	S	S	.	.			trans	69	3.6	179.6	0	0	0	0	0	116	E416 C417 A423	E416-G421 WeakPolarHBondContact OE1-CA 3.08Å; C417-G421 PolarHBondContact O-N 3.26Å; G421-A423 PolarHBondContact O-N 2.87Å
422	N	73.8	Confident	78.2	Confident	84 Å²	84	76.7 Å²	76.7	45%	0.449	40%	0.395	S	S	.	.			trans	-74.9	116.6	179.4	-80.1	-76.2	0	0	0	110.8	C417 C420 F424	C417-N422 HydrophobicContact CB-CB 4.48Å; C417-N422 WeakPolarHBondContact CB-O 3.45Å; C417-N422 PolarHBondContact N-O 3.39Å; C420-N422 PolarHBondContact O-N 3.34Å; C420-N422 VanDerWaalsContact O-N 3.12Å; C420-N422 PolarHBondContact SG-ND2 3.05Å; N422-F424 HydrophobicContact CB-CE2 3.79Å; N422-F424 HydrophobicContact CB-CZ 4.02Å; N422-F424 WeakPolarHBondContact O-CD2 3.36Å; N422-F424 WeakPolarHBondContact O-CE2 3.12Å
423	A	80.6	Confident	78.2	Confident	39 Å²	39	73.8 Å²	73.8	32%	0.322	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	141.6	178.2	0	0	0	0	0	112.7	K413 E416 G421	K413-A423 HydrophobicContact CB-CB 3.55Å; K413-A423 HydrophobicContact CD-CB 4.22Å; K413-A423 VanDerWaalsContact CD-O 3.26Å; K413-A423 WeakPolarHBondContact CD-O 3.42Å; E416-A423 HydrophobicContact CG-CB 4.42Å; G421-A423 PolarHBondContact O-N 2.87Å
424	F	82.3	Confident	77.9	Confident	46 Å²	46	71 Å²	71	20%	0.202	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	148.4	-179.3	-60.5	-91.2	0	0	0	112.4	K413 Y415 N422 K426 L430 H433	K413-F424 CarbonylContact C-O 2.91Å; K413-F424 VanDerWaalsContact CA-O 3.3Å; K413-F424 WeakPolarHBondContact CA-O 3.29Å; Y415-F424 WeakPolarHBondContact CD2-O 3.08Å; Y415-F424 PolarHBondContact N-O 2.76Å; Y415-F424 VanDerWaalsContact N-O 3.16Å; Y415-F424 PolarHBondContact O-N 2.82Å; N422-F424 HydrophobicContact CB-CE2 3.79Å; N422-F424 HydrophobicContact CB-CZ 4.02Å; N422-F424 WeakPolarHBondContact O-CD2 3.36Å; N422-F424 WeakPolarHBondContact O-CE2 3.12Å; F424-K426 VanDerWaalsContact C-N 3.34Å; F424-L430 HydrophobicContact CB-CB 4.42Å; F424-L430 HydrophobicContact CD2-CB 4.03Å; F424-L430 HydrophobicContact CD2-CD1 4.03Å; F424-L430 HydrophobicContact CE2-CD1 4.26Å; F424-L430 HydrophobicContact CG-CB 4.41Å; F424-H433 HydrophobicContact CE1-CB 4.14Å; F424-H433 HydrophobicContact CE2-CB 3.9Å; F424-H433 AromaticContact CE2-CD2 3.27Å; F424-H433 WeakPolarHBondContact CE2-CD2 3.18Å; F424-H433 AromaticContact CE2-CG 3.71Å; F424-H433 HydrophobicContact CZ-CB 3.54Å; F424-H433 AromaticContact CZ-CD2 3.37Å; F424-H433 WeakPolarHBondContact CZ-CD2 3.48Å; F424-H433 AromaticContact CZ-CG 3.36Å
425	S	76.5	Confident	77.6	Confident	41 Å²	41	71 Å²	71	29%	0.287	36%	0.362	S	S	.	.	S	Bend	trans	-78.6	-13.5	176.8	55.7	0	0	0	0	114.3	R407 Y415	R407-S425 PolarHBondContact NH1-O 3.5Å; Y415-S425 WeakPolarHBondContact CE2-O 3.5Å
426	K	77.1	Confident	76.8	Confident	51 Å²	51	70.6 Å²	70.6	22%	0.222	37%	0.367	C	S	.	.	S	Bend	trans	-133.2	135.7	175.7	-48.2	-168.1	-168.8	-148.9	0	112.2	E404 F424 S428 Y429 L430	E404-K426 WeakPolarHBondContact OE1-CE 3.46Å; E404-K426 IonicContact OE1-NZ 3.28Å; E404-K426 PolarHBondContact OE1-NZ 2.96Å; E404-K426 WeakPolarHBondContact OE2-CD 3.32Å; E404-K426 WeakPolarHBondContact OE2-CE 3.29Å; E404-K426 IonicContact OE2-NZ 3.93Å; E404-K426 PolarHBondContact OE2-NZ 3.01Å; F424-K426 VanDerWaalsContact C-N 3.34Å; K426-S428 PolarHBondContact O-N 2.95Å; K426-Y429 HydrophobicContact CB-CD2 3.71Å; K426-Y429 HydrophobicContact CB-CE2 4.06Å; K426-Y429 HydrophobicContact CB-CG 4.21Å; K426-Y429 HydrophobicContact CD-CD2 4.06Å; K426-Y429 HydrophobicContact CD-CE2 3.48Å; K426-Y429 VanDerWaalsContact CD-CE2 3.48Å; K426-Y429 HydrophobicContact CG-CD2 3.79Å; K426-Y429 HydrophobicContact CG-CE2 3.65Å; K426-Y429 PolarHBondContact O-N 3.15Å; K426-L430 PolarHBondContact O-N 3Å
427	K	76.9	Confident	76.1	Confident	140 Å²	140	68.6 Å²	68.6	61%	0.609	36%	0.357	S	S	*	.	H	α-helix	trans	-57.2	-31.6	174.4	-168.8	168.5	-177.3	169.6	0	112.9	Y415 Y429 L430 V431	Y415-K427 HydrophobicContact CD1-CB 3.8Å; Y415-K427 HydrophobicContact CD1-CG 4.23Å; Y415-K427 HydrophobicContact CD2-CB 4.35Å; Y415-K427 HydrophobicContact CE1-CB 3.86Å; Y415-K427 HydrophobicContact CE1-CD 4.43Å; Y415-K427 HydrophobicContact CE1-CG 4.47Å; Y415-K427 HydrophobicContact CE2-CB 4.37Å; Y415-K427 HydrophobicContact CG-CB 4.05Å; K427-Y429 VanDerWaalsContact C-N 3.35Å; K427-Y429 PolarHBondContact O-N 2.84Å; K427-L430 PolarHBondContact O-N 3.46Å; K427-V431 WeakPolarHBondContact O-CG2 3.45Å; K427-V431 PolarHBondContact O-N 3.09Å
428	S	75.8	Confident	75.3	Confident	68 Å²	68	76.8 Å²	76.8	48%	0.476	39%	0.388	S	S	.	.	H	α-helix	trans	-65.6	-33.3	175.4	51.6	0	0	0	0	113.4	K426 V432	K426-S428 PolarHBondContact O-N 2.95Å; S428-V432 WeakPolarHBondContact O-CG2 3.33Å; S428-V432 PolarHBondContact O-N 2.8Å
429	Y	76.1	Confident	74.5	Confident	122 Å²	122	68.9 Å²	68.9	48%	0.478	37%	0.367	S	S	.	.	H	α-helix	trans	-75.2	-39.1	174.8	-60.1	-34.2	0	0	0	111.6	K426 K427 V431 V432 H433	K426-Y429 HydrophobicContact CB-CD2 3.71Å; K426-Y429 HydrophobicContact CB-CE2 4.06Å; K426-Y429 HydrophobicContact CB-CG 4.21Å; K426-Y429 HydrophobicContact CD-CD2 4.06Å; K426-Y429 HydrophobicContact CD-CE2 3.48Å; K426-Y429 VanDerWaalsContact CD-CE2 3.48Å; K426-Y429 HydrophobicContact CG-CD2 3.79Å; K426-Y429 HydrophobicContact CG-CE2 3.65Å; K426-Y429 PolarHBondContact O-N 3.15Å; K427-Y429 VanDerWaalsContact C-N 3.35Å; K427-Y429 PolarHBondContact O-N 2.84Å; Y429-V431 PolarHBondContact O-N 2.9Å; Y429-V432 PolarHBondContact O-N 3.39Å; Y429-H433 WeakPolarHBondContact O-CB 3.5Å; Y429-H433 PolarHBondContact O-N 3.31Å
430	L	80	Confident	74.1	Confident	17 Å²	17	68 Å²	68	9%	0.089	36%	0.363	C	S	.	.	H	α-helix	trans	-57.2	-47.7	171.1	173.7	60.7	0	0	0	111.5	E416 C417 F424 K426 K427 V432 H433 Q434	E416-L430 WeakPolarHBondContact O-CD2 3.36Å; C417-L430 HydrophobicContact CB-CD1 3.54Å; F424-L430 HydrophobicContact CB-CB 4.42Å; F424-L430 HydrophobicContact CD2-CB 4.03Å; F424-L430 HydrophobicContact CD2-CD1 4.03Å; F424-L430 HydrophobicContact CE2-CD1 4.26Å; F424-L430 HydrophobicContact CG-CB 4.41Å; K426-L430 PolarHBondContact O-N 3Å; K427-L430 PolarHBondContact O-N 3.46Å; L430-V432 VanDerWaalsContact C-N 3.33Å; L430-V432 PolarHBondContact O-N 3.09Å; L430-H433 CarbonylContact O-C 3.59Å; L430-H433 WeakPolarHBondContact O-CA 3.35Å; L430-H433 WeakPolarHBondContact O-CB 3.44Å; L430-H433 PolarHBondContact O-N 2.82Å; L430-Q434 HydrophobicContact CD1-CG 4Å; L430-Q434 HydrophobicContact CG-CG 4.42Å; L430-Q434 WeakPolarHBondContact O-CG 3.44Å; L430-Q434 PolarHBondContact O-N 3.1Å
431	V	77.5	Confident	73.9	Confident	65 Å²	65	69.9 Å²	69.9	39%	0.394	37%	0.365	S	S	.	.	H	α-helix	trans	-63.7	-35.6	179.2	169.9	0	0	0	0	112.5	K427 Y429	K427-V431 WeakPolarHBondContact O-CG2 3.45Å; K427-V431 PolarHBondContact O-N 3.09Å; Y429-V431 PolarHBondContact O-N 2.9Å
432	V	70.4	Confident	73.7	Confident	48 Å²	48	71.7 Å²	71.7	29%	0.291	37%	0.368	S	S	.	.	H	α-helix	trans	-72.2	-31.7	173.1	171.7	0	0	0	0	111.6	S428 Y429 L430 C454	S428-V432 WeakPolarHBondContact O-CG2 3.33Å; S428-V432 PolarHBondContact O-N 2.8Å; Y429-V432 PolarHBondContact O-N 3.39Å; L430-V432 VanDerWaalsContact C-N 3.33Å; L430-V432 PolarHBondContact O-N 3.09Å; V432-C454 HydrophobicContact CG1-CB 4.01Å; V432-C454 HydrophobicContact CG2-CB 4.3Å
433	H	74.9	Confident	73.7	Confident	33 Å²	33	68.9 Å²	68.9	15%	0.153	35%	0.353	C	S	.	.	H	α-helix	trans	-72.5	-40.8	176.1	173.8	53.5	0	0	0	112.9	C420 F424 Y429 L430 R435 T436 H437	C420-H433 PolarHBondContact SG-NE2 3.11Å; F424-H433 HydrophobicContact CE1-CB 4.14Å; F424-H433 HydrophobicContact CE2-CB 3.9Å; F424-H433 AromaticContact CE2-CD2 3.27Å; F424-H433 WeakPolarHBondContact CE2-CD2 3.18Å; F424-H433 AromaticContact CE2-CG 3.71Å; F424-H433 HydrophobicContact CZ-CB 3.54Å; F424-H433 AromaticContact CZ-CD2 3.37Å; F424-H433 WeakPolarHBondContact CZ-CD2 3.48Å; F424-H433 AromaticContact CZ-CG 3.36Å; Y429-H433 WeakPolarHBondContact O-CB 3.5Å; Y429-H433 PolarHBondContact O-N 3.31Å; L430-H433 CarbonylContact O-C 3.59Å; L430-H433 WeakPolarHBondContact O-CA 3.35Å; L430-H433 WeakPolarHBondContact O-CB 3.44Å; L430-H433 PolarHBondContact O-N 2.82Å; H433-R435 PolarHBondContact O-N 2.99Å; H433-R435 VanDerWaalsContact O-N 3.08Å; H433-T436 PolarHBondContact ND1-OG1 2.84Å; H433-T436 WeakPolarHBondContact O-CB 3.35Å; H433-T436 PolarHBondContact O-N 2.85Å; H433-T436 PolarHBondContact O-OG1 2.89Å; H433-H437 AromaticContact CE1-CE1 3.83Å; H433-H437 AromaticContact CE1-NE2 3.62Å; H433-H437 AromaticContact NE2-CE1 3.87Å; H433-H437 AromaticContact NE2-NE2 3.3Å; H433-H437 PolarHBondContact NE2-NE2 3.31Å
434	Q	74.1	Confident	73.4	Confident	63 Å²	63	72.6 Å²	72.6	29%	0.294	36%	0.364	S	S	.	.	H	α-helix	trans	-57.5	-28.2	178.1	-73.7	170.4	-55.2	0	0	112.7	L430 T436 H437 R438	L430-Q434 HydrophobicContact CD1-CG 4Å; L430-Q434 HydrophobicContact CG-CG 4.42Å; L430-Q434 WeakPolarHBondContact O-CG 3.44Å; L430-Q434 PolarHBondContact O-N 3.1Å; Q434-T436 PolarHBondContact O-N 3.33Å; Q434-H437 PolarHBondContact O-N 3.16Å; Q434-R438 PolarHBondContact O-N 3.32Å
435	R	76.3	Confident	73	Confident	68 Å²	68	70.4 Å²	70.4	26%	0.257	36%	0.355	S	S	.	.	H	α-helix	trans	-62.8	-22.7	171.6	-65	177	177.6	170.2	-0.3	114.1	H433 H437 G439 E440 F453	H433-R435 PolarHBondContact O-N 2.99Å; H433-R435 VanDerWaalsContact O-N 3.08Å; R435-H437 VanDerWaalsContact C-N 3.35Å; R435-G439 CarbonylContact O-C 3.13Å; R435-G439 PolarHBondContact O-N 3.03Å; R435-E440 HydrophobicContact CB-CB 4.3Å; R435-E440 HydrophobicContact CG-CB 4.31Å; R435-E440 PolarHBondContact O-N 2.79Å; R435-F453 HydrophobicContact CB-CD1 3.93Å; R435-F453 WeakPolarHBondContact CD-O 3.23Å; R435-F453 PolarHBondContact NH1-O 3.38Å; R435-F453 WeakPolarHBondContact O-CE1 3.48Å
436	T	66.9	Low	72.9	Confident	64 Å²	64	78.1 Å²	78.1	39%	0.393	38%	0.383	S	S	.	.	H	α-helix	trans	-72.2	-30	176.4	67.7	0	0	0	0	112.5	H433 Q434 F453	H433-T436 PolarHBondContact ND1-OG1 2.84Å; H433-T436 WeakPolarHBondContact O-CB 3.35Å; H433-T436 PolarHBondContact O-N 2.85Å; H433-T436 PolarHBondContact O-OG1 2.89Å; Q434-T436 PolarHBondContact O-N 3.33Å; T436-F453 HydrophobicContact CG2-CD1 4.2Å; T436-F453 HydrophobicContact CG2-CD2 4.36Å; T436-F453 HydrophobicContact CG2-CE1 4.11Å; T436-F453 HydrophobicContact CG2-CE2 4.26Å; T436-F453 HydrophobicContact CG2-CG 4.34Å; T436-F453 HydrophobicContact CG2-CZ 4.12Å
437	H	69.1	Low	72.6	Confident	80 Å²	80	80.2 Å²	80.2	37%	0.37	39%	0.393	S	S	.	.	H	α-helix	trans	-77	-41.6	175	-55.9	-47.2	0	0	0	111.3	C417 E419 C420 H433 Q434 R435 G439	C417-H437 PolarHBondContact SG-NE2 3.07Å; C417-H437 VanDerWaalsContact SG-NE2 3.42Å; E419-H437 VanDerWaalsContact OE2-CB 3.23Å; E419-H437 WeakPolarHBondContact OE2-CB 3.49Å; E419-H437 IonicContact OE2-CD2 2.84Å; E419-H437 PolarHBondContact OE2-CD2 3.06Å; E419-H437 IonicContact OE2-CG 3.24Å; C420-H437 VanDerWaalsContact SG-CE1 3.55Å; C420-H437 PolarHBondContact SG-NE2 2.82Å; H433-H437 AromaticContact CE1-CE1 3.83Å; H433-H437 AromaticContact CE1-NE2 3.62Å; H433-H437 AromaticContact NE2-CE1 3.87Å; H433-H437 AromaticContact NE2-NE2 3.3Å; H433-H437 PolarHBondContact NE2-NE2 3.31Å; Q434-H437 PolarHBondContact O-N 3.16Å; R435-H437 VanDerWaalsContact C-N 3.35Å; H437-G439 VanDerWaalsContact C-N 3.28Å; H437-G439 PolarHBondContact O-N 3.02Å
438	R	67.6	Low	72.1	Confident	171 Å²	171	76 Å²	76	65%	0.645	38%	0.381	S	S	*	.	H	α-helix	trans	-76.4	-8.8	177.6	-61.7	-173	168.6	-136.8	-9.6	114.9	Q434 E440	Q434-R438 PolarHBondContact O-N 3.32Å; R438-E440 HydrophobicContact CB-CG 3.93Å; R438-E440 WeakPolarHBondContact CD-OE1 3.13Å; R438-E440 IonicContact NH1-OE1 3.33Å; R438-E440 PolarHBondContact O-N 2.86Å
439	G	62.6	Low	71.8	Confident	46 Å²	46	74.7 Å²	74.7	47%	0.474	38%	0.379	S	S	.	.			trans	69.2	-6.2	-174	0	0	0	0	0	115.6	R435 H437 K441	R435-G439 CarbonylContact O-C 3.13Å; R435-G439 PolarHBondContact O-N 3.03Å; H437-G439 VanDerWaalsContact C-N 3.28Å; H437-G439 PolarHBondContact O-N 3.02Å; G439-K441 PolarHBondContact O-N 3.35Å
440	E	67.1	Low	71.2	Confident	84 Å²	84	74.7 Å²	74.7	39%	0.393	38%	0.381	S	S	.	.			trans	-55.9	117.8	-178.5	-70.8	174.6	-150.4	0	0	112.4	R435 R438 P442 F453	R435-E440 HydrophobicContact CB-CB 4.3Å; R435-E440 HydrophobicContact CG-CB 4.31Å; R435-E440 PolarHBondContact O-N 2.79Å; R438-E440 HydrophobicContact CB-CG 3.93Å; R438-E440 WeakPolarHBondContact CD-OE1 3.13Å; R438-E440 IonicContact NH1-OE1 3.33Å; R438-E440 PolarHBondContact O-N 2.86Å; E440-P442 WeakPolarHBondContact O-CD 3.49Å; E440-F453 WeakPolarHBondContact O-CD1 3.34Å
441	K	68.8	Low	70.6	Confident	91 Å²	91	76.5 Å²	76.5	40%	0.396	39%	0.393	S	S	.	.			trans	-125.8	74	176.8	-68.5	165.6	-178.5	175.4	0	111.4	G439 N443 T451 F452 F453	G439-K441 PolarHBondContact O-N 3.35Å; K441-N443 PolarHBondContact O-N 3.35Å; K441-T451 WeakPolarHBondContact CD-OG1 3.33Å; K441-F452 CarbonylContact C-O 3.48Å; K441-F452 VanDerWaalsContact C-O 3.26Å; K441-F452 WeakPolarHBondContact CA-O 3.24Å; K441-F453 HydrophobicContact CD-CE1 4.33Å; K441-F453 HydrophobicContact CD-CZ 4.24Å; K441-F453 HydrophobicContact CG-CD1 3.71Å; K441-F453 HydrophobicContact CG-CD2 4.47Å; K441-F453 HydrophobicContact CG-CE1 3.54Å; K441-F453 HydrophobicContact CG-CE2 4.33Å; K441-F453 HydrophobicContact CG-CG 4.18Å; K441-F453 HydrophobicContact CG-CZ 3.89Å
442	P	72.4	Confident	70.4	Confident	84 Å²	84	75.6 Å²	75.6	55%	0.545	38%	0.384	S	S	.	.			trans	-69.9	-3.3	-166.6	-20.7	34.2	0	0	0	116.2	E440	E440-P442 WeakPolarHBondContact O-CD 3.49Å
443	N	74.9	Confident	70	Confident	25 Å²	25	76.3 Å²	76.3	13%	0.134	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	94.5	-170.1	-42.4	-104.1	0	0	0	107.9	K441 F452 F453 C454 Q455 L458	K441-N443 PolarHBondContact O-N 3.35Å; N443-F452 HydrophobicContact CB-CB 4.38Å; N443-F452 PolarHBondContact N-O 3.41Å; N443-F452 PolarHBondContact ND2-O 3.04Å; N443-F452 PolarHBondContact O-N 3.02Å; N443-F453 PolarHBondContact ND2-O 3.08Å; N443-C454 WeakPolarHBondContact ND2-CA 3.32Å; N443-C454 PolarHBondContact ND2-N 3.22Å; N443-Q455 PolarHBondContact OD1-N 3.48Å; N443-L458 HydrophobicContact CB-CB 4.1Å; N443-L458 HydrophobicContact CB-CD2 3.87Å
444	E	73.9	Confident	69.6	Low	117 Å²	117	76.1 Å²	76.1	55%	0.547	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	138.4	-177.6	-170	-179.7	152.6	0	0	112.9	K446 T451 L458	E444-K446 PolarHBondContact O-N 2.88Å; E444-T451 HydrophobicContact CB-CG2 4.03Å; E444-T451 HydrophobicContact CG-CG2 3.88Å; E444-L458 WeakPolarHBondContact O-CD2 3.18Å
445	C	74.3	Confident	69.4	Low	0 Å²	0	77.6 Å²	77.6	0%	0	39%	0.392	C	S	.	.			trans	-83	101.2	170.9	-166.2	0	0	0	0	111.4	E447 C448 G449 K450 F452 L458 H461 H465	C445-E447 PolarHBondContact O-N 3.46Å; C445-C448 PolarHBondContact O-N 2.71Å; C445-G449 PolarHBondContact O-N 3.35Å; C445-K450 WeakPolarHBondContact CB-O 3.3Å; C445-K450 PolarHBondContact N-O 3.4Å; C445-F452 HydrophobicContact CB-CE2 4.35Å; C445-L458 HydrophobicContact CB-CD1 3.51Å; C445-H461 VanDerWaalsContact SG-CD2 3.59Å; C445-H465 VanDerWaalsContact SG-CD2 3.54Å; C445-H465 PolarHBondContact SG-NE2 3.02Å
446	K	74.9	Confident	69	Low	203 Å²	203	78.6 Å²	78.6	88%	0.883	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.8	-27.7	-179.2	-62.3	-172.5	177.9	-173.8	0	115.1	E444	E444-K446 PolarHBondContact O-N 2.88Å
447	E	70.6	Confident	68.9	Low	95 Å²	95	77.4 Å²	77.4	44%	0.444	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-26.8	-177.1	-64.9	160.3	117.8	0	0	113.6	C445 H465	C445-E447 PolarHBondContact O-N 3.46Å; E447-H465 IonicContact OE2-CD2 3.95Å; E447-H465 PolarHBondContact OE2-CD2 3.19Å; E447-H465 IonicContact OE2-CG 3.03Å
448	C	65.4	Low	69.1	Low	51 Å²	51	74 Å²	74	35%	0.345	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-143.4	5.8	-170.3	76.3	0	0	0	0	116	C445 K450 H461 H465	C445-C448 PolarHBondContact O-N 2.71Å; C448-K450 PolarHBondContact O-N 3.09Å; C448-K450 VanDerWaalsContact O-N 3.14Å; C448-H461 PolarHBondContact SG-NE2 3.01Å; C448-H465 PolarHBondContact SG-NE2 2.9Å; C448-H465 VanDerWaalsContact SG-NE2 3.39Å
449	G	69.9	Low	69.1	Low	42 Å²	42	68.9 Å²	68.9	43%	0.433	38%	0.378	S	S	.	.			trans	68.4	5.6	177.6	0	0	0	0	0	115.6	C445 T451	C445-G449 PolarHBondContact O-N 3.35Å; G449-T451 PolarHBondContact O-N 3.42Å
450	K	63.6	Low	69.2	Low	121 Å²	121	68.4 Å²	68.4	53%	0.526	37%	0.37	S	S	.	.			trans	-76.1	126.6	-179.4	-71.1	176.5	-176.4	168	0	110.6	C445 C448 F452	C445-K450 WeakPolarHBondContact CB-O 3.3Å; C445-K450 PolarHBondContact N-O 3.4Å; C448-K450 PolarHBondContact O-N 3.09Å; C448-K450 VanDerWaalsContact O-N 3.14Å; K450-F452 HydrophobicContact CB-CE2 3.73Å; K450-F452 HydrophobicContact CB-CZ 4.02Å; K450-F452 WeakPolarHBondContact O-CD2 3.35Å; K450-F452 VanDerWaalsContact O-CE2 3.22Å; K450-F452 WeakPolarHBondContact O-CE2 3.45Å
451	T	67.1	Low	69.3	Low	56 Å²	56	65.3 Å²	65.3	34%	0.344	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	140.8	-176.3	53.9	0	0	0	0	111.9	K441 E444 G449	K441-T451 WeakPolarHBondContact CD-OG1 3.33Å; E444-T451 HydrophobicContact CB-CG2 4.03Å; E444-T451 HydrophobicContact CG-CG2 3.88Å; G449-T451 PolarHBondContact O-N 3.42Å
452	F	73.4	Confident	69.2	Low	45 Å²	45	64 Å²	64	20%	0.197	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	148.2	-174.2	-62.7	-91.3	0	0	0	112.3	K441 N443 C445 K450 C454 A457 L458 H461	K441-F452 CarbonylContact C-O 3.48Å; K441-F452 VanDerWaalsContact C-O 3.26Å; K441-F452 WeakPolarHBondContact CA-O 3.24Å; N443-F452 HydrophobicContact CB-CB 4.38Å; N443-F452 PolarHBondContact N-O 3.41Å; N443-F452 PolarHBondContact ND2-O 3.04Å; N443-F452 PolarHBondContact O-N 3.02Å; C445-F452 HydrophobicContact CB-CE2 4.35Å; K450-F452 HydrophobicContact CB-CE2 3.73Å; K450-F452 HydrophobicContact CB-CZ 4.02Å; K450-F452 WeakPolarHBondContact O-CD2 3.35Å; K450-F452 VanDerWaalsContact O-CE2 3.22Å; K450-F452 WeakPolarHBondContact O-CE2 3.45Å; F452-C454 VanDerWaalsContact C-N 3.3Å; F452-C454 PolarHBondContact O-N 3.32Å; F452-A457 HydrophobicContact CB-CB 4.29Å; F452-A457 HydrophobicContact CD1-CB 4Å; F452-A457 HydrophobicContact CG-CB 4.46Å; F452-L458 HydrophobicContact CB-CB 4.28Å; F452-L458 HydrophobicContact CD2-CB 4.09Å; F452-L458 HydrophobicContact CD2-CD1 3.92Å; F452-L458 HydrophobicContact CE2-CD1 4.17Å; F452-L458 HydrophobicContact CG-CB 4.31Å; F452-H461 HydrophobicContact CE1-CB 3.95Å; F452-H461 HydrophobicContact CE2-CB 3.96Å; F452-H461 AromaticContact CE2-CD2 3.29Å; F452-H461 WeakPolarHBondContact CE2-CD2 3.23Å; F452-H461 AromaticContact CE2-CG 3.72Å; F452-H461 HydrophobicContact CZ-CB 3.5Å; F452-H461 AromaticContact CZ-CD2 3.3Å; F452-H461 WeakPolarHBondContact CZ-CD2 3.39Å; F452-H461 AromaticContact CZ-CG 3.28Å
453	F	61.9	Low	69	Low	63 Å²	63	62.7 Å²	62.7	28%	0.276	34%	0.335	S	S	.	.	S	Bend	trans	-69.8	-22.9	179.9	-59	-76.4	0	0	0	113.7	R435 T436 E440 K441 N443	R435-F453 HydrophobicContact CB-CD1 3.93Å; R435-F453 WeakPolarHBondContact CD-O 3.23Å; R435-F453 PolarHBondContact NH1-O 3.38Å; R435-F453 WeakPolarHBondContact O-CE1 3.48Å; T436-F453 HydrophobicContact CG2-CD1 4.2Å; T436-F453 HydrophobicContact CG2-CD2 4.36Å; T436-F453 HydrophobicContact CG2-CE1 4.11Å; T436-F453 HydrophobicContact CG2-CE2 4.26Å; T436-F453 HydrophobicContact CG2-CG 4.34Å; T436-F453 HydrophobicContact CG2-CZ 4.12Å; E440-F453 WeakPolarHBondContact O-CD1 3.34Å; K441-F453 HydrophobicContact CD-CE1 4.33Å; K441-F453 HydrophobicContact CD-CZ 4.24Å; K441-F453 HydrophobicContact CG-CD1 3.71Å; K441-F453 HydrophobicContact CG-CD2 4.47Å; K441-F453 HydrophobicContact CG-CE1 3.54Å; K441-F453 HydrophobicContact CG-CE2 4.33Å; K441-F453 HydrophobicContact CG-CG 4.18Å; K441-F453 HydrophobicContact CG-CZ 3.89Å; N443-F453 PolarHBondContact ND2-O 3.08Å
454	C	66.7	Low	68.4	Low	29 Å²	29	67 Å²	67	20%	0.196	36%	0.357	C	S	.	.	S	Bend	trans	-147.5	151.9	178.6	61.6	0	0	0	0	113	V432 N443 F452 S456 A457 L458	V432-C454 HydrophobicContact CG1-CB 4.01Å; V432-C454 HydrophobicContact CG2-CB 4.3Å; N443-C454 WeakPolarHBondContact ND2-CA 3.32Å; N443-C454 PolarHBondContact ND2-N 3.22Å; F452-C454 VanDerWaalsContact C-N 3.3Å; F452-C454 PolarHBondContact O-N 3.32Å; C454-S456 VanDerWaalsContact C-N 3.31Å; C454-S456 PolarHBondContact O-N 2.83Å; C454-A457 PolarHBondContact O-N 2.78Å; C454-L458 PolarHBondContact O-N 3.36Å
455	Q	70.9	Confident	68	Low	94 Å²	94	64.8 Å²	64.8	44%	0.439	35%	0.347	S	S	.	.	H	α-helix	trans	-61	-34.6	-178.1	-177.4	57.1	44.8	0	0	113.4	N443 A457 L458 T459	N443-Q455 PolarHBondContact OD1-N 3.48Å; Q455-A457 VanDerWaalsContact C-N 3.31Å; Q455-A457 PolarHBondContact O-N 3.33Å; Q455-L458 WeakPolarHBondContact O-CB 3.42Å; Q455-L458 PolarHBondContact O-N 3.22Å; Q455-T459 PolarHBondContact NE2-OG1 3.1Å; Q455-T459 PolarHBondContact O-N 3.39Å; Q455-T459 PolarHBondContact O-OG1 3.35Å
456	S	66.1	Low	67.5	Low	90 Å²	90	68.5 Å²	68.5	63%	0.629	37%	0.369	S	S	*	.	H	α-helix	trans	-66.3	-32.5	178.1	49.8	0	0	0	0	112.8	C454 A460	C454-S456 VanDerWaalsContact C-N 3.31Å; C454-S456 PolarHBondContact O-N 2.83Å; S456-A460 VanDerWaalsContact O-CB 3.3Å; S456-A460 WeakPolarHBondContact O-CB 3.14Å; S456-A460 PolarHBondContact O-N 3.12Å
457	A	65.4	Low	66.8	Low	38 Å²	38	61.1 Å²	61.1	31%	0.314	35%	0.351	S	S	.	.	H	α-helix	trans	-71.8	-37.1	172	0	0	0	0	0	111.8	F452 C454 Q455 H461	F452-A457 HydrophobicContact CB-CB 4.29Å; F452-A457 HydrophobicContact CD1-CB 4Å; F452-A457 HydrophobicContact CG-CB 4.46Å; C454-A457 PolarHBondContact O-N 2.78Å; Q455-A457 VanDerWaalsContact C-N 3.31Å; Q455-A457 PolarHBondContact O-N 3.33Å; A457-H461 WeakPolarHBondContact O-CB 3.3Å; A457-H461 PolarHBondContact O-N 3.33Å
458	L	73	Confident	66.3	Low	9 Å²	9	61.4 Å²	61.4	5%	0.047	35%	0.352	C	S	.	.	H	α-helix	trans	-62.8	-50.5	172.2	172.4	57.7	0	0	0	111.3	N443 E444 C445 F452 C454 Q455 A460 H461 Q462	N443-L458 HydrophobicContact CB-CB 4.1Å; N443-L458 HydrophobicContact CB-CD2 3.87Å; E444-L458 WeakPolarHBondContact O-CD2 3.18Å; C445-L458 HydrophobicContact CB-CD1 3.51Å; F452-L458 HydrophobicContact CB-CB 4.28Å; F452-L458 HydrophobicContact CD2-CB 4.09Å; F452-L458 HydrophobicContact CD2-CD1 3.92Å; F452-L458 HydrophobicContact CE2-CD1 4.17Å; F452-L458 HydrophobicContact CG-CB 4.31Å; C454-L458 PolarHBondContact O-N 3.36Å; Q455-L458 WeakPolarHBondContact O-CB 3.42Å; Q455-L458 PolarHBondContact O-N 3.22Å; L458-A460 VanDerWaalsContact C-N 3.32Å; L458-A460 PolarHBondContact O-N 3.46Å; L458-H461 CarbonylContact O-C 3.55Å; L458-H461 WeakPolarHBondContact O-CA 3.37Å; L458-H461 WeakPolarHBondContact O-CB 3.46Å; L458-H461 PolarHBondContact O-N 2.9Å; L458-Q462 HydrophobicContact CD1-CG 3.97Å; L458-Q462 HydrophobicContact CG-CG 4.39Å; L458-Q462 WeakPolarHBondContact O-CG 3.26Å; L458-Q462 PolarHBondContact O-N 3.05Å
459	T	69.4	Low	66.4	Low	63 Å²	63	64.5 Å²	64.5	39%	0.387	36%	0.36	S	S	.	.	H	α-helix	trans	-64.3	-34.5	178.9	-61.6	0	0	0	0	112.6	Q455 H461	Q455-T459 PolarHBondContact NE2-OG1 3.1Å; Q455-T459 PolarHBondContact O-N 3.39Å; Q455-T459 PolarHBondContact O-OG1 3.35Å; T459-H461 VanDerWaalsContact C-N 3.28Å; T459-H461 PolarHBondContact O-N 2.89Å
460	A	63.3	Low	66.4	Low	37 Å²	37	66 Å²	66	31%	0.306	36%	0.362	S	S	.	.	H	α-helix	trans	-68	-27.1	170.2	0	0	0	0	0	113.1	S456 L458	S456-A460 VanDerWaalsContact O-CB 3.3Å; S456-A460 WeakPolarHBondContact O-CB 3.14Å; S456-A460 PolarHBondContact O-N 3.12Å; L458-A460 VanDerWaalsContact C-N 3.32Å; L458-A460 PolarHBondContact O-N 3.46Å
461	H	69	Low	66.8	Low	18 Å²	18	63.2 Å²	63.2	8%	0.083	35%	0.349	C	S	.	.	H	α-helix	trans	-78.8	-37.9	174.6	173.4	50.9	0	0	0	113.1	C445 C448 F452 A457 L458 T459 R463 I464 H465	C445-H461 VanDerWaalsContact SG-CD2 3.59Å; C448-H461 PolarHBondContact SG-NE2 3.01Å; F452-H461 HydrophobicContact CE1-CB 3.95Å; F452-H461 HydrophobicContact CE2-CB 3.96Å; F452-H461 AromaticContact CE2-CD2 3.29Å; F452-H461 WeakPolarHBondContact CE2-CD2 3.23Å; F452-H461 AromaticContact CE2-CG 3.72Å; F452-H461 HydrophobicContact CZ-CB 3.5Å; F452-H461 AromaticContact CZ-CD2 3.3Å; F452-H461 WeakPolarHBondContact CZ-CD2 3.39Å; F452-H461 AromaticContact CZ-CG 3.28Å; A457-H461 WeakPolarHBondContact O-CB 3.3Å; A457-H461 PolarHBondContact O-N 3.33Å; L458-H461 CarbonylContact O-C 3.55Å; L458-H461 WeakPolarHBondContact O-CA 3.37Å; L458-H461 WeakPolarHBondContact O-CB 3.46Å; L458-H461 PolarHBondContact O-N 2.9Å; T459-H461 VanDerWaalsContact C-N 3.28Å; T459-H461 PolarHBondContact O-N 2.89Å; H461-R463 PolarHBondContact O-N 3.15Å; H461-I464 VanDerWaalsContact O-CB 3.23Å; H461-I464 WeakPolarHBondContact O-CB 3.32Å; H461-I464 WeakPolarHBondContact O-CG1 3.37Å; H461-I464 PolarHBondContact O-N 3.1Å; H461-H465 AromaticContact CD2-NE2 3.98Å; H461-H465 AromaticContact CE1-CE1 3.95Å; H461-H465 AromaticContact CE1-NE2 3.61Å; H461-H465 AromaticContact NE2-CE1 3.88Å; H461-H465 AromaticContact NE2-NE2 3.22Å; H461-H465 PolarHBondContact NE2-NE2 3.42Å
462	Q	66.6	Low	66.8	Low	64 Å²	64	66 Å²	66	30%	0.299	36%	0.358	S	S	.	.	H	α-helix	trans	-59	-29.4	-179.7	-72.1	173.1	-75.7	0	0	112.7	L458 I464 H465 T466	L458-Q462 HydrophobicContact CD1-CG 3.97Å; L458-Q462 HydrophobicContact CG-CG 4.39Å; L458-Q462 WeakPolarHBondContact O-CG 3.26Å; L458-Q462 PolarHBondContact O-N 3.05Å; Q462-I464 PolarHBondContact O-N 2.89Å; Q462-I464 VanDerWaalsContact O-N 3.1Å; Q462-H465 PolarHBondContact O-N 2.76Å; Q462-T466 PolarHBondContact O-N 2.75Å; Q462-T466 VanDerWaalsContact O-N 3.1Å
463	R	69.1	Low	66.7	Low	56 Å²	56	64 Å²	64	21%	0.211	35%	0.349	C	S	.	.	H	α-helix	trans	-59.1	-17.4	170.8	-67.3	178.1	178.2	160	-1.1	114.9	H461 H465 G467 E468 Y471 F481	H461-R463 PolarHBondContact O-N 3.15Å; R463-H465 VanDerWaalsContact C-N 3.34Å; R463-G467 CarbonylContact O-C 3.51Å; R463-G467 WeakPolarHBondContact O-CA 3.43Å; R463-G467 PolarHBondContact O-N 3.19Å; R463-G467 VanDerWaalsContact O-N 3.12Å; R463-E468 HydrophobicContact CB-CB 4.43Å; R463-E468 HydrophobicContact CG-CB 4.19Å; R463-E468 PolarHBondContact O-N 3.36Å; R463-Y471 PolarHBondContact NH1-OH 3.12Å; R463-F481 PolarHBondContact NH1-O 3.5Å
464	I	61.9	Low	67.2	Low	116 Å²	116	66.2 Å²	66.2	60%	0.595	37%	0.372	S	S	*	.	H	α-helix	trans	-74.5	-27.7	172.5	-56.9	-176.1	0	0	0	111	H461 Q462	H461-I464 VanDerWaalsContact O-CB 3.23Å; H461-I464 WeakPolarHBondContact O-CB 3.32Å; H461-I464 WeakPolarHBondContact O-CG1 3.37Å; H461-I464 PolarHBondContact O-N 3.1Å; Q462-I464 PolarHBondContact O-N 2.89Å; Q462-I464 VanDerWaalsContact O-N 3.1Å
465	H	64.6	Low	67.5	Low	71 Å²	71	68.6 Å²	68.6	33%	0.329	38%	0.381	S	S	.	.	H	α-helix	trans	-89	-43.5	177.8	-52.8	-53.4	0	0	0	111.7	C445 E447 C448 H461 Q462 R463 G467	C445-H465 VanDerWaalsContact SG-CD2 3.54Å; C445-H465 PolarHBondContact SG-NE2 3.02Å; E447-H465 IonicContact OE2-CD2 3.95Å; E447-H465 PolarHBondContact OE2-CD2 3.19Å; E447-H465 IonicContact OE2-CG 3.03Å; C448-H465 PolarHBondContact SG-NE2 2.9Å; C448-H465 VanDerWaalsContact SG-NE2 3.39Å; H461-H465 AromaticContact CD2-NE2 3.98Å; H461-H465 AromaticContact CE1-CE1 3.95Å; H461-H465 AromaticContact CE1-NE2 3.61Å; H461-H465 AromaticContact NE2-CE1 3.88Å; H461-H465 AromaticContact NE2-NE2 3.22Å; H461-H465 PolarHBondContact NE2-NE2 3.42Å; Q462-H465 PolarHBondContact O-N 2.76Å; R463-H465 VanDerWaalsContact C-N 3.34Å; H465-G467 PolarHBondContact O-N 2.67Å
466	T	64.1	Low	67.3	Low	77 Å²	77	66 Å²	66	47%	0.472	37%	0.372	S	S	.	.	H	α-helix	trans	-73.4	-14.2	175.7	65.7	0	0	0	0	113.5	Q462 E468	Q462-T466 PolarHBondContact O-N 2.75Å; Q462-T466 VanDerWaalsContact O-N 3.1Å; T466-E468 PolarHBondContact O-N 3.27Å; T466-E468 WeakPolarHBondContact OG1-CB 3.16Å; T466-E468 VanDerWaalsContact OG1-CD 3.29Å; T466-E468 WeakPolarHBondContact OG1-CG 3.34Å; T466-E468 PolarHBondContact OG1-OE1 2.83Å
467	G	60	Low	67.3	Low	48 Å²	48	69.2 Å²	69.2	50%	0.495	38%	0.377	S	S	.	.			trans	73	-1.4	-176.8	0	0	0	0	0	114.5	R463 H465 K469	R463-G467 CarbonylContact O-C 3.51Å; R463-G467 WeakPolarHBondContact O-CA 3.43Å; R463-G467 PolarHBondContact O-N 3.19Å; R463-G467 VanDerWaalsContact O-N 3.12Å; H465-G467 PolarHBondContact O-N 2.67Å; G467-K469 PolarHBondContact O-N 3.41Å
468	E	61.9	Low	67	Low	101 Å²	101	72.7 Å²	72.7	47%	0.472	39%	0.385	S	S	.	.			trans	-56.3	131.7	-179.5	-78.6	169	-140.3	0	0	112.7	R463 T466 P470	R463-E468 HydrophobicContact CB-CB 4.43Å; R463-E468 HydrophobicContact CG-CB 4.19Å; R463-E468 PolarHBondContact O-N 3.36Å; T466-E468 PolarHBondContact O-N 3.27Å; T466-E468 WeakPolarHBondContact OG1-CB 3.16Å; T466-E468 VanDerWaalsContact OG1-CD 3.29Å; T466-E468 WeakPolarHBondContact OG1-CG 3.34Å; T466-E468 PolarHBondContact OG1-OE1 2.83Å; E468-P470 HydrophobicContact CB-CG 4.36Å
469	K	66.1	Low	66.2	Low	117 Å²	117	75 Å²	75	51%	0.509	40%	0.4	S	S	.	.			trans	-130.8	71.3	175.6	-66.3	165.5	-178	174.5	0	110.8	G467 Y471 T479 F480	G467-K469 PolarHBondContact O-N 3.41Å; K469-Y471 PolarHBondContact O-N 3.48Å; K469-T479 VanDerWaalsContact CD-OG1 3.29Å; K469-T479 WeakPolarHBondContact CD-OG1 3.3Å; K469-F480 CarbonylContact C-O 3.54Å; K469-F480 WeakPolarHBondContact CA-O 3.47Å
470	P	70	Confident	66.1	Low	72 Å²	72	73.9 Å²	73.9	47%	0.468	39%	0.39	S	S	.	.			trans	-71.1	4	-168	-18.7	34	0	0	0	115.6	E468	E468-P470 HydrophobicContact CB-CG 4.36Å
471	Y	72.3	Confident	65.6	Low	64 Å²	64	77.1 Å²	77.1	25%	0.251	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	92.1	-176.5	-54	-78.5	0	0	0	109.4	R463 K469 F480 F481 C482 Q483	R463-Y471 PolarHBondContact NH1-OH 3.12Å; K469-Y471 PolarHBondContact O-N 3.48Å; Y471-F480 WeakPolarHBondContact CD2-O 3.3Å; Y471-F480 PolarHBondContact N-O 3.27Å; Y471-F480 PolarHBondContact O-N 2.86Å; Y471-F481 WeakPolarHBondContact CE2-O 3.33Å; Y471-C482 VanDerWaalsContact CD2-C 3.43Å; Y471-C482 VanDerWaalsContact CE2-CA 3.47Å; Y471-Q483 HydrophobicContact CD1-CB 4Å; Y471-Q483 HydrophobicContact CE1-CB 4Å
472	E	68	Low	65.1	Low	115 Å²	115	77.4 Å²	77.4	54%	0.537	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	146.8	178.9	-165.7	176.8	142.5	0	0	112.1	T479 L486	E472-T479 HydrophobicContact CB-CG2 4.11Å; E472-T479 HydrophobicContact CG-CG2 3.91Å; E472-L486 VanDerWaalsContact O-CD2 3.25Å; E472-L486 WeakPolarHBondContact O-CD2 3.45Å
473	C	70.6	Confident	64.9	Low	1 Å²	1	78.5 Å²	78.5	1%	0.007	41%	0.406	C	S	.	.			trans	-94.1	103.9	170.9	-170.9	0	0	0	0	110.3	E475 C476 E477 K478 F480 L486 H493	C473-E475 PolarHBondContact O-N 3.16Å; C473-C476 PolarHBondContact O-N 2.88Å; C473-E477 WeakPolarHBondContact O-CA 3.17Å; C473-E477 PolarHBondContact O-N 2.97Å; C473-K478 WeakPolarHBondContact CB-O 3.22Å; C473-K478 PolarHBondContact N-O 2.89Å; C473-F480 HydrophobicContact CB-CE2 4.42Å; C473-L486 HydrophobicContact CB-CD1 3.51Å; C473-H493 PolarHBondContact SG-NE2 2.58Å
474	S	72.8	Confident	64.5	Low	111 Å²	111	79.7 Å²	79.7	78%	0.776	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-7.3	176	57.4	0	0	0	0	115.6
475	E	71.6	Confident	64.6	Low	79 Å²	79	75.3 Å²	75.3	37%	0.369	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.9	-12.6	-178.4	-61.7	163.3	-130.1	0	0	112.2	C473 R490 H493	C473-E475 PolarHBondContact O-N 3.16Å; E475-R490 IonicContact OE1-CZ 3.71Å; E475-R490 VanDerWaalsContact OE1-CZ 3.25Å; E475-R490 IonicContact OE1-NE 2.61Å; E475-R490 PolarHBondContact OE1-NE 2.68Å; E475-R490 IonicContact OE1-NH2 3.8Å; E475-R490 PolarHBondContact OE1-NH2 2.79Å; E475-H493 WeakPolarHBondContact OE2-CB 3.25Å; E475-H493 IonicContact OE2-CD2 2.58Å; E475-H493 PolarHBondContact OE2-CD2 2.98Å; E475-H493 VanDerWaalsContact OE2-CD2 3.24Å; E475-H493 IonicContact OE2-CG 3.16Å
476	C	67.8	Low	64.7	Low	39 Å²	39	72.5 Å²	72.5	26%	0.264	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-164.2	24.2	173.8	73.6	0	0	0	0	116	C473 K478 H489 H493	C473-C476 PolarHBondContact O-N 2.88Å; C476-K478 PolarHBondContact O-N 3.09Å; C476-K478 PolarHBondContact SG-NZ 3.42Å; C476-H489 PolarHBondContact SG-NE2 2.95Å; C476-H493 PolarHBondContact SG-CE1 2.83Å; C476-H493 PolarHBondContact SG-NE2 3.44Å
477	E	66.6	Low	64.9	Low	157 Å²	157	72.6 Å²	72.6	73%	0.734	39%	0.389	S	S	*	.			trans	58	9.1	175.6	-62.7	162.1	-156.1	0	0	115.8	C473 T479	C473-E477 WeakPolarHBondContact O-CA 3.17Å; C473-E477 PolarHBondContact O-N 2.97Å; E477-T479 PolarHBondContact O-N 2.61Å
478	K	57.6	Low	65.1	Low	111 Å²	111	73.2 Å²	73.2	48%	0.483	38%	0.383	S	S	.	.			trans	-73.7	124.2	178.9	-70.2	-175	-169	83.8	0	110.6	C473 C476 F480	C473-K478 WeakPolarHBondContact CB-O 3.22Å; C473-K478 PolarHBondContact N-O 2.89Å; C476-K478 PolarHBondContact O-N 3.09Å; C476-K478 PolarHBondContact SG-NZ 3.42Å; K478-F480 HydrophobicContact CB-CE2 3.71Å; K478-F480 HydrophobicContact CB-CZ 4.05Å; K478-F480 VanDerWaalsContact O-CD2 3.29Å; K478-F480 WeakPolarHBondContact O-CD2 3.44Å; K478-F480 WeakPolarHBondContact O-CE2 3.33Å
479	T	57.4	Low	65.5	Low	57 Å²	57	69.8 Å²	69.8	35%	0.35	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	140.4	-177.9	53.4	0	0	0	0	112.4	K469 E472 E477	K469-T479 VanDerWaalsContact CD-OG1 3.29Å; K469-T479 WeakPolarHBondContact CD-OG1 3.3Å; E472-T479 HydrophobicContact CB-CG2 4.11Å; E472-T479 HydrophobicContact CG-CG2 3.91Å; E477-T479 PolarHBondContact O-N 2.61Å
480	F	67.4	Low	65.6	Low	41 Å²	41	68.9 Å²	68.9	18%	0.18	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	152.4	-175.8	-63.8	-91.4	0	0	0	112.4	K469 Y471 C473 K478 A485 L486 H489	K469-F480 CarbonylContact C-O 3.54Å; K469-F480 WeakPolarHBondContact CA-O 3.47Å; Y471-F480 WeakPolarHBondContact CD2-O 3.3Å; Y471-F480 PolarHBondContact N-O 3.27Å; Y471-F480 PolarHBondContact O-N 2.86Å; C473-F480 HydrophobicContact CB-CE2 4.42Å; K478-F480 HydrophobicContact CB-CE2 3.71Å; K478-F480 HydrophobicContact CB-CZ 4.05Å; K478-F480 VanDerWaalsContact O-CD2 3.29Å; K478-F480 WeakPolarHBondContact O-CD2 3.44Å; K478-F480 WeakPolarHBondContact O-CE2 3.33Å; F480-A485 HydrophobicContact CB-CB 4.24Å; F480-A485 HydrophobicContact CD1-CB 3.86Å; F480-A485 HydrophobicContact CG-CB 4.37Å; F480-L486 HydrophobicContact CB-CB 4.23Å; F480-L486 HydrophobicContact CD2-CB 4.06Å; F480-L486 HydrophobicContact CD2-CD1 3.94Å; F480-L486 HydrophobicContact CE2-CD1 4.22Å; F480-L486 HydrophobicContact CG-CB 4.23Å; F480-H489 HydrophobicContact CE1-CB 3.91Å; F480-H489 HydrophobicContact CE2-CB 3.97Å; F480-H489 AromaticContact CE2-CD2 3.19Å; F480-H489 WeakPolarHBondContact CE2-CD2 3.49Å; F480-H489 AromaticContact CE2-CG 3.76Å; F480-H489 HydrophobicContact CZ-CB 3.48Å; F480-H489 VanDerWaalsContact CZ-CB 3.48Å; F480-H489 AromaticContact CZ-CD2 3.23Å; F480-H489 WeakPolarHBondContact CZ-CD2 3.43Å; F480-H489 AromaticContact CZ-CG 3.33Å
481	F	52.9	Low	65.7	Low	105 Å²	105	68.3 Å²	68.3	46%	0.461	35%	0.349	S	S	.	.	S	Bend	trans	-77.2	-19	179.9	61.7	-86.2	0	0	0	113.7	R463 Y471 A485	R463-F481 PolarHBondContact NH1-O 3.5Å; Y471-F481 WeakPolarHBondContact CE2-O 3.33Å; F481-A485 HydrophobicContact CE1-CB 4.21Å; F481-A485 HydrophobicContact CZ-CB 4.3Å
482	C	58.3	Low	65.3	Low	24 Å²	24	69.1 Å²	69.1	16%	0.162	36%	0.364	C	S	.	.	S	Bend	trans	-148	149.8	176.8	67.8	0	0	0	0	113	Y471 S484 A485 L486	Y471-C482 VanDerWaalsContact CD2-C 3.43Å; Y471-C482 VanDerWaalsContact CE2-CA 3.47Å; C482-S484 PolarHBondContact O-N 2.84Å; C482-S484 PolarHBondContact SG-OG 2.95Å; C482-S484 VanDerWaalsContact SG-OG 3.33Å; C482-A485 PolarHBondContact O-N 2.95Å; C482-A485 VanDerWaalsContact O-N 3.1Å; C482-A485 VanDerWaalsContact SG-CB 3.6Å; C482-A485 PolarHBondContact SG-N 3.02Å; C482-L486 PolarHBondContact O-N 3.37Å
483	Q	62.4	Low	65.1	Low	86 Å²	86	67 Å²	67	40%	0.402	35%	0.354	S	S	.	.	H	α-helix	trans	-56.7	-33.4	177.8	-172	67.2	48.6	0	0	113.1	Y471 L486 N487	Y471-Q483 HydrophobicContact CD1-CB 4Å; Y471-Q483 HydrophobicContact CE1-CB 4Å; Q483-L486 PolarHBondContact O-N 2.85Å; Q483-N487 PolarHBondContact NE2-OD1 2.85Å; Q483-N487 WeakPolarHBondContact O-CB 3.34Å; Q483-N487 PolarHBondContact O-N 3.47Å; Q483-N487 PolarHBondContact O-OD1 3.18Å
484	S	61	Low	64.7	Low	81 Å²	81	70 Å²	70	57%	0.566	37%	0.373	S	S	*	.	H	α-helix	trans	-70.1	-31.5	179.3	51.1	0	0	0	0	112.8	C482 V488	C482-S484 PolarHBondContact O-N 2.84Å; C482-S484 PolarHBondContact SG-OG 2.95Å; C482-S484 VanDerWaalsContact SG-OG 3.33Å; S484-V488 WeakPolarHBondContact O-CG2 3.37Å; S484-V488 PolarHBondContact O-N 2.93Å; S484-V488 VanDerWaalsContact O-N 3.12Å
485	A	62.5	Low	64.1	Low	25 Å²	25	66.7 Å²	66.7	21%	0.207	36%	0.356	C	S	.	.	H	α-helix	trans	-70.7	-42.2	171.5	0	0	0	0	0	111.3	F480 F481 C482 V488 H489	F480-A485 HydrophobicContact CB-CB 4.24Å; F480-A485 HydrophobicContact CD1-CB 3.86Å; F480-A485 HydrophobicContact CG-CB 4.37Å; F481-A485 HydrophobicContact CE1-CB 4.21Å; F481-A485 HydrophobicContact CZ-CB 4.3Å; C482-A485 PolarHBondContact O-N 2.95Å; C482-A485 VanDerWaalsContact O-N 3.1Å; C482-A485 VanDerWaalsContact SG-CB 3.6Å; C482-A485 PolarHBondContact SG-N 3.02Å; A485-V488 PolarHBondContact O-N 3.23Å; A485-H489 WeakPolarHBondContact O-CB 3.41Å; A485-H489 PolarHBondContact O-N 3Å
486	L	68.2	Low	63.5	Low	11 Å²	11	67.3 Å²	67.3	6%	0.058	36%	0.359	C	S	.	.	H	α-helix	trans	-59.2	-47	172.4	173.1	58.8	0	0	0	111.7	E472 C473 F480 C482 Q483 V488 H489 R490	E472-L486 VanDerWaalsContact O-CD2 3.25Å; E472-L486 WeakPolarHBondContact O-CD2 3.45Å; C473-L486 HydrophobicContact CB-CD1 3.51Å; F480-L486 HydrophobicContact CB-CB 4.23Å; F480-L486 HydrophobicContact CD2-CB 4.06Å; F480-L486 HydrophobicContact CD2-CD1 3.94Å; F480-L486 HydrophobicContact CE2-CD1 4.22Å; F480-L486 HydrophobicContact CG-CB 4.23Å; C482-L486 PolarHBondContact O-N 3.37Å; Q483-L486 PolarHBondContact O-N 2.85Å; L486-V488 VanDerWaalsContact C-N 3.31Å; L486-V488 PolarHBondContact O-N 3.22Å; L486-H489 CarbonylContact O-C 3.56Å; L486-H489 WeakPolarHBondContact O-CA 3.49Å; L486-H489 WeakPolarHBondContact O-CB 3.33Å; L486-H489 PolarHBondContact O-N 3.16Å; L486-R490 HydrophobicContact CD1-CG 4.08Å; L486-R490 PolarHBondContact O-N 2.76Å
487	N	67.8	Low	63.3	Low	79 Å²	79	71.2 Å²	71.2	42%	0.422	37%	0.371	S	S	.	.	H	α-helix	trans	-63.6	-34.6	179.2	-71.1	3	0	0	0	112.6	Q483	Q483-N487 PolarHBondContact NE2-OD1 2.85Å; Q483-N487 WeakPolarHBondContact O-CB 3.34Å; Q483-N487 PolarHBondContact O-N 3.47Å; Q483-N487 PolarHBondContact O-OD1 3.18Å
488	V	63.4	Low	63.5	Low	62 Å²	62	67.1 Å²	67.1	38%	0.376	36%	0.359	S	S	.	.	H	α-helix	trans	-71.9	-33.7	172.1	168.2	0	0	0	0	111.4	S484 A485 L486 T510	S484-V488 WeakPolarHBondContact O-CG2 3.37Å; S484-V488 PolarHBondContact O-N 2.93Å; S484-V488 VanDerWaalsContact O-N 3.12Å; A485-V488 PolarHBondContact O-N 3.23Å; L486-V488 VanDerWaalsContact C-N 3.31Å; L486-V488 PolarHBondContact O-N 3.22Å; V488-T510 HydrophobicContact CB-CG2 4.49Å; V488-T510 HydrophobicContact CG1-CG2 3.55Å; V488-T510 HydrophobicContact CG2-CG2 4.06Å
489	H	70.1	Confident	64.2	Low	28 Å²	28	65.1 Å²	65.1	13%	0.13	35%	0.348	C	S	.	.	H	α-helix	trans	-69.1	-42.2	175.1	171.4	42.4	0	0	0	112.9	C476 F480 A485 L486 R491 S492 H493	C476-H489 PolarHBondContact SG-NE2 2.95Å; F480-H489 HydrophobicContact CE1-CB 3.91Å; F480-H489 HydrophobicContact CE2-CB 3.97Å; F480-H489 AromaticContact CE2-CD2 3.19Å; F480-H489 WeakPolarHBondContact CE2-CD2 3.49Å; F480-H489 AromaticContact CE2-CG 3.76Å; F480-H489 HydrophobicContact CZ-CB 3.48Å; F480-H489 VanDerWaalsContact CZ-CB 3.48Å; F480-H489 AromaticContact CZ-CD2 3.23Å; F480-H489 WeakPolarHBondContact CZ-CD2 3.43Å; F480-H489 AromaticContact CZ-CG 3.33Å; A485-H489 WeakPolarHBondContact O-CB 3.41Å; A485-H489 PolarHBondContact O-N 3Å; L486-H489 CarbonylContact O-C 3.56Å; L486-H489 WeakPolarHBondContact O-CA 3.49Å; L486-H489 WeakPolarHBondContact O-CB 3.33Å; L486-H489 PolarHBondContact O-N 3.16Å; H489-R491 PolarHBondContact O-N 3.34Å; H489-S492 PolarHBondContact CE1-OG 3.31Å; H489-S492 PolarHBondContact ND1-OG 3.27Å; H489-S492 VanDerWaalsContact ND1-OG 3.11Å; H489-S492 WeakPolarHBondContact O-CB 3.45Å; H489-S492 PolarHBondContact O-N 3.43Å; H489-S492 PolarHBondContact O-OG 3.39Å; H489-H493 AromaticContact CE1-CE1 3.48Å; H489-H493 PolarHBondContact CE1-CE1 3.12Å; H489-H493 VanDerWaalsContact CE1-CE1 3.48Å; H489-H493 AromaticContact CE1-NE2 3.33Å; H489-H493 PolarHBondContact CE1-NE2 2.99Å; H489-H493 VanDerWaalsContact CE1-NE2 3.33Å; H489-H493 AromaticContact NE2-CE1 3.72Å; H489-H493 AromaticContact NE2-NE2 3.19Å; H489-H493 PolarHBondContact NE2-NE2 2.87Å; H489-H493 VanDerWaalsContact NE2-NE2 3.19Å
490	R	68.4	Low	64.6	Low	98 Å²	98	67.2 Å²	67.2	37%	0.37	35%	0.354	S	S	.	.	H	α-helix	trans	-55.9	-29.1	-179.9	-71.9	-175.1	66.5	-113.9	-15.1	113.3	E475 L486 S492 H493 T494	E475-R490 IonicContact OE1-CZ 3.71Å; E475-R490 VanDerWaalsContact OE1-CZ 3.25Å; E475-R490 IonicContact OE1-NE 2.61Å; E475-R490 PolarHBondContact OE1-NE 2.68Å; E475-R490 IonicContact OE1-NH2 3.8Å; E475-R490 PolarHBondContact OE1-NH2 2.79Å; L486-R490 HydrophobicContact CD1-CG 4.08Å; L486-R490 PolarHBondContact O-N 2.76Å; R490-S492 PolarHBondContact O-N 3.47Å; R490-S492 VanDerWaalsContact O-N 3.16Å; R490-H493 WeakPolarHBondContact O-CB 3.44Å; R490-H493 PolarHBondContact O-N 3.11Å; R490-T494 PolarHBondContact O-N 3.46Å
491	R	72.3	Confident	64.5	Low	60 Å²	60	65.2 Å²	65.2	23%	0.226	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-15.1	171.4	-63.9	-175.1	175.4	153.5	4.5	115.1	H489 H493 G495 E496 C509	H489-R491 PolarHBondContact O-N 3.34Å; R491-H493 VanDerWaalsContact C-N 3.32Å; R491-G495 CarbonylContact O-C 3.52Å; R491-G495 PolarHBondContact O-N 2.91Å; R491-E496 HydrophobicContact CB-CB 4.2Å; R491-E496 HydrophobicContact CG-CB 3.95Å; R491-E496 IonicContact NE-OE2 2.71Å; R491-C509 HydrophobicContact CB-CB 4.42Å; R491-C509 PolarHBondContact NH1-O 3.29Å
492	S	63.6	Low	65.3	Low	82 Å²	82	64.8 Å²	64.8	57%	0.573	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-15.8	170	70.2	0	0	0	0	113.4	H489 R490	H489-S492 PolarHBondContact CE1-OG 3.31Å; H489-S492 PolarHBondContact ND1-OG 3.27Å; H489-S492 VanDerWaalsContact ND1-OG 3.11Å; H489-S492 WeakPolarHBondContact O-CB 3.45Å; H489-S492 PolarHBondContact O-N 3.43Å; H489-S492 PolarHBondContact O-OG 3.39Å; R490-S492 PolarHBondContact O-N 3.47Å; R490-S492 VanDerWaalsContact O-N 3.16Å
493	H	64.2	Low	65.4	Low	70 Å²	70	70.6 Å²	70.6	32%	0.324	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97	-50.3	175.1	-52.3	-45	0	0	0	110.7	C473 E475 C476 H489 R490 R491 G495	C473-H493 PolarHBondContact SG-NE2 2.58Å; E475-H493 WeakPolarHBondContact OE2-CB 3.25Å; E475-H493 IonicContact OE2-CD2 2.58Å; E475-H493 PolarHBondContact OE2-CD2 2.98Å; E475-H493 VanDerWaalsContact OE2-CD2 3.24Å; E475-H493 IonicContact OE2-CG 3.16Å; C476-H493 PolarHBondContact SG-CE1 2.83Å; C476-H493 PolarHBondContact SG-NE2 3.44Å; H489-H493 AromaticContact CE1-CE1 3.48Å; H489-H493 PolarHBondContact CE1-CE1 3.12Å; H489-H493 VanDerWaalsContact CE1-CE1 3.48Å; H489-H493 AromaticContact CE1-NE2 3.33Å; H489-H493 PolarHBondContact CE1-NE2 2.99Å; H489-H493 VanDerWaalsContact CE1-NE2 3.33Å; H489-H493 AromaticContact NE2-CE1 3.72Å; H489-H493 AromaticContact NE2-NE2 3.19Å; H489-H493 PolarHBondContact NE2-NE2 2.87Å; H489-H493 VanDerWaalsContact NE2-NE2 3.19Å; R490-H493 WeakPolarHBondContact O-CB 3.44Å; R490-H493 PolarHBondContact O-N 3.11Å; R491-H493 VanDerWaalsContact C-N 3.32Å; H493-G495 PolarHBondContact O-N 3.45Å; H493-G495 VanDerWaalsContact O-N 3.17Å
494	T	63	Low	65.4	Low	65 Å²	65	69.7 Å²	69.7	40%	0.399	38%	0.382	S	S	.	.	S	Bend	trans	-70.6	-8.5	177.5	66.4	0	0	0	0	113.7	R490 E496	R490-T494 PolarHBondContact O-N 3.46Å; T494-E496 WeakPolarHBondContact CB-OE1 3.44Å; T494-E496 PolarHBondContact O-N 3.14Å; T494-E496 VanDerWaalsContact O-N 3.07Å; T494-E496 VanDerWaalsContact OG1-CD 3.27Å; T494-E496 WeakPolarHBondContact OG1-CG 3.43Å; T494-E496 PolarHBondContact OG1-OE1 3.2Å
495	G	59.1	Low	65.3	Low	41 Å²	41	67.4 Å²	67.4	42%	0.423	37%	0.372	S	S	.	.			trans	71	-5	-178	0	0	0	0	0	114.9	R491 H493 K497	R491-G495 CarbonylContact O-C 3.52Å; R491-G495 PolarHBondContact O-N 2.91Å; H493-G495 PolarHBondContact O-N 3.45Å; H493-G495 VanDerWaalsContact O-N 3.17Å; G495-K497 WeakPolarHBondContact O-CG 3.46Å; G495-K497 PolarHBondContact O-N 3.23Å
496	E	58.7	Low	64.9	Low	92 Å²	92	71.6 Å²	71.6	43%	0.43	39%	0.385	S	S	.	.			trans	-51	122.5	-178.2	-83.1	169.7	-117.4	0	0	113	R491 T494 P498	R491-E496 HydrophobicContact CB-CB 4.2Å; R491-E496 HydrophobicContact CG-CB 3.95Å; R491-E496 IonicContact NE-OE2 2.71Å; T494-E496 WeakPolarHBondContact CB-OE1 3.44Å; T494-E496 PolarHBondContact O-N 3.14Å; T494-E496 VanDerWaalsContact O-N 3.07Å; T494-E496 VanDerWaalsContact OG1-CD 3.27Å; T494-E496 WeakPolarHBondContact OG1-CG 3.43Å; T494-E496 PolarHBondContact OG1-OE1 3.2Å; E496-P498 HydrophobicContact CB-CG 4.43Å
497	K	65.1	Low	64.4	Low	120 Å²	120	76.1 Å²	76.1	52%	0.522	41%	0.405	S	S	.	.			trans	-129.5	70.9	175.2	-69.1	157.7	-166.8	158	0	110.1	G495 Y499 F507 L508	G495-K497 WeakPolarHBondContact O-CG 3.46Å; G495-K497 PolarHBondContact O-N 3.23Å; K497-Y499 PolarHBondContact O-N 2.7Å; K497-F507 HydrophobicContact CB-CB 3.54Å; K497-F507 HydrophobicContact CD-CB 4.16Å; K497-F507 HydrophobicContact CG-CB 4.46Å; K497-L508 CarbonylContact C-O 3.56Å; K497-L508 VanDerWaalsContact CA-O 3.27Å; K497-L508 WeakPolarHBondContact CA-O 3.44Å
498	P	70.3	Confident	64.4	Low	72 Å²	72	73.9 Å²	73.9	47%	0.468	39%	0.393	S	S	.	.			trans	-70.6	4.4	-166.7	-18.8	33.9	0	0	0	115.6	E496	E496-P498 HydrophobicContact CB-CG 4.43Å
499	Y	71.3	Confident	64.1	Low	69 Å²	69	73.3 Å²	73.3	27%	0.271	39%	0.391	S	S	.	.	B	Isolated β-bridge	trans	-120.1	89.6	-175.1	-54.9	-73.6	0	0	0	109.6	K497 L508 T510 K511	K497-Y499 PolarHBondContact O-N 2.7Å; Y499-L508 WeakPolarHBondContact CB-O 3.5Å; Y499-L508 WeakPolarHBondContact CD2-O 3.32Å; Y499-L508 PolarHBondContact N-O 3.03Å; Y499-L508 VanDerWaalsContact N-O 3.15Å; Y499-L508 PolarHBondContact O-N 2.97Å; Y499-T510 VanDerWaalsContact CD2-CA 3.47Å; Y499-K511 HydrophobicContact CD1-CB 4.01Å; Y499-K511 HydrophobicContact CD1-CG 4.48Å; Y499-K511 HydrophobicContact CE1-CB 3.81Å; Y499-K511 HydrophobicContact CE1-CG 4.45Å; Y499-K511 HydrophobicContact CG-CB 4.48Å
500	E	66.2	Low	63.7	Low	100 Å²	100	73.1 Å²	73.1	47%	0.467	39%	0.392	S	S	.	.			trans	-73.3	146	174.7	-164	-176.1	155.8	0	0	111.9	F507 L514	E500-F507 HydrophobicContact CB-CD1 3.75Å; E500-F507 HydrophobicContact CB-CE1 3.62Å; E500-F507 HydrophobicContact CB-CZ 4.36Å; E500-F507 HydrophobicContact CG-CD1 3.86Å; E500-F507 HydrophobicContact CG-CE1 3.51Å; E500-F507 HydrophobicContact CG-CE2 4.29Å; E500-F507 HydrophobicContact CG-CG 4.38Å; E500-F507 HydrophobicContact CG-CZ 3.74Å; E500-F507 WeakPolarHBondContact OE2-CE1 3.38Å; E500-L514 WeakPolarHBondContact O-CD1 3.3Å; E500-L514 WeakPolarHBondContact O-CD2 3.21Å
501	C	65.8	Low	63.4	Low	0 Å²	0	74.9 Å²	74.9	0%	0	40%	0.402	C	S	.	.			trans	-98	101.8	170.2	-165.7	0	0	0	0	111.4	Q503 C504 G505 K506 L514 H521	C501-Q503 PolarHBondContact O-N 2.9Å; C501-C504 PolarHBondContact O-N 3.4Å; C501-G505 PolarHBondContact O-N 3.39Å; C501-K506 HydrophobicContact CB-CB 4.36Å; C501-K506 WeakPolarHBondContact CB-O 3.34Å; C501-K506 PolarHBondContact N-O 3.02Å; C501-K506 VanDerWaalsContact N-O 3.1Å; C501-L514 HydrophobicContact CB-CD1 3.61Å; C501-H521 PolarHBondContact SG-CD2 3.34Å; C501-H521 PolarHBondContact SG-NE2 3.35Å
502	S	70.5	Confident	62.8	Low	95 Å²	95	76.2 Å²	76.2	66%	0.664	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	11.3	177.9	58.2	0	0	0	0	116.9
503	Q	60.4	Low	62.7	Low	146 Å²	146	73.9 Å²	73.9	68%	0.682	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.2	-8.1	175.1	-65.9	-70.3	-67	0	0	112.5	C501 H521	C501-Q503 PolarHBondContact O-N 2.9Å; Q503-H521 HydrophobicContact CB-CB 4.43Å
504	C	61.3	Low	62.7	Low	67 Å²	67	71.4 Å²	71.4	45%	0.453	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-162	12.5	-179.3	68.6	0	0	0	0	115.5	C501 K506 H517 H521	C501-C504 PolarHBondContact O-N 3.4Å; C504-K506 PolarHBondContact O-N 3.47Å; C504-K506 VanDerWaalsContact O-N 3.08Å; C504-K506 WeakPolarHBondContact SG-CB 3.31Å; C504-H517 PolarHBondContact SG-NE2 3.38Å; C504-H521 PolarHBondContact SG-CE1 2.61Å; C504-H521 PolarHBondContact SG-NE2 2.71Å
505	G	58.7	Low	62.7	Low	34 Å²	34	72.3 Å²	72.3	35%	0.351	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.6	9.8	-178	0	0	0	0	0	115.4	C501 F507	C501-G505 PolarHBondContact O-N 3.39Å; G505-F507 WeakPolarHBondContact O-CD2 3.17Å; G505-F507 VanDerWaalsContact O-CE2 3.26Å; G505-F507 WeakPolarHBondContact O-CE2 3.24Å; G505-F507 PolarHBondContact O-N 2.95Å
506	K	55.1	Low	62.7	Low	112 Å²	112	71.2 Å²	71.2	49%	0.487	38%	0.384	S	S	.	.			trans	-81.9	105.2	-173.2	-171.1	173.5	-174.4	174.2	0	112.5	C501 C504 H517	C501-K506 HydrophobicContact CB-CB 4.36Å; C501-K506 WeakPolarHBondContact CB-O 3.34Å; C501-K506 PolarHBondContact N-O 3.02Å; C501-K506 VanDerWaalsContact N-O 3.1Å; C504-K506 PolarHBondContact O-N 3.47Å; C504-K506 VanDerWaalsContact O-N 3.08Å; C504-K506 WeakPolarHBondContact SG-CB 3.31Å; K506-H517 WeakPolarHBondContact CD-NE2 3.3Å
507	F	57.2	Low	62.9	Low	107 Å²	107	68.3 Å²	68.3	47%	0.469	37%	0.37	S	S	.	.			trans	-69	135.4	173	-59.6	-85.6	0	0	0	113.2	K497 E500 G505	K497-F507 HydrophobicContact CB-CB 3.54Å; K497-F507 HydrophobicContact CD-CB 4.16Å; K497-F507 HydrophobicContact CG-CB 4.46Å; E500-F507 HydrophobicContact CB-CD1 3.75Å; E500-F507 HydrophobicContact CB-CE1 3.62Å; E500-F507 HydrophobicContact CB-CZ 4.36Å; E500-F507 HydrophobicContact CG-CD1 3.86Å; E500-F507 HydrophobicContact CG-CE1 3.51Å; E500-F507 HydrophobicContact CG-CE2 4.29Å; E500-F507 HydrophobicContact CG-CG 4.38Å; E500-F507 HydrophobicContact CG-CZ 3.74Å; E500-F507 WeakPolarHBondContact OE2-CE1 3.38Å; G505-F507 WeakPolarHBondContact O-CD2 3.17Å; G505-F507 VanDerWaalsContact O-CE2 3.26Å; G505-F507 WeakPolarHBondContact O-CE2 3.24Å; G505-F507 PolarHBondContact O-N 2.95Å
508	L	68.1	Low	62.7	Low	31 Å²	31	65.7 Å²	65.7	16%	0.162	36%	0.36	C	S	.	.	B	Isolated β-bridge	trans	-133.5	153.2	-179.4	-68	164.5	0	0	0	112.1	K497 Y499 A513 L514 H517	K497-L508 CarbonylContact C-O 3.56Å; K497-L508 VanDerWaalsContact CA-O 3.27Å; K497-L508 WeakPolarHBondContact CA-O 3.44Å; Y499-L508 WeakPolarHBondContact CB-O 3.5Å; Y499-L508 WeakPolarHBondContact CD2-O 3.32Å; Y499-L508 PolarHBondContact N-O 3.03Å; Y499-L508 VanDerWaalsContact N-O 3.15Å; Y499-L508 PolarHBondContact O-N 2.97Å; L508-A513 HydrophobicContact CB-CB 4.44Å; L508-L514 HydrophobicContact CD1-CB 4.34Å; L508-L514 HydrophobicContact CD1-CD1 4.32Å; L508-H517 HydrophobicContact CD1-CB 3.59Å
509	C	56.7	Low	62.3	Low	50 Å²	50	64.6 Å²	64.6	34%	0.338	35%	0.349	S	S	.	.	S	Bend	trans	-84.3	-13.9	-172.9	58.4	0	0	0	0	115.3	R491	R491-C509 HydrophobicContact CB-CB 4.42Å; R491-C509 PolarHBondContact NH1-O 3.29Å
510	T	61.8	Low	61.6	Low	25 Å²	25	65.1 Å²	65.1	15%	0.153	36%	0.36	C	S	.	.	S	Bend	trans	-139.1	146.2	177.7	65.7	0	0	0	0	112.8	V488 Y499 S512 A513 L514	V488-T510 HydrophobicContact CB-CG2 4.49Å; V488-T510 HydrophobicContact CG1-CG2 3.55Å; V488-T510 HydrophobicContact CG2-CG2 4.06Å; Y499-T510 VanDerWaalsContact CD2-CA 3.47Å; T510-S512 PolarHBondContact O-N 3.37Å; T510-S512 PolarHBondContact OG1-OG 3.09Å; T510-A513 PolarHBondContact O-N 2.92Å; T510-A513 VanDerWaalsContact O-N 3.13Å; T510-A513 VanDerWaalsContact OG1-CB 3.24Å; T510-A513 WeakPolarHBondContact OG1-CB 3.41Å; T510-A513 PolarHBondContact OG1-N 3.36Å; T510-L514 PolarHBondContact O-N 2.79Å
511	K	62	Low	61.2	Low	135 Å²	135	63.7 Å²	63.7	59%	0.587	35%	0.353	S	S	*	.	H	α-helix	trans	-61.4	-31.7	176.3	-170.3	170.4	-178.6	172.8	0	112.6	Y499 L514 I515	Y499-K511 HydrophobicContact CD1-CB 4.01Å; Y499-K511 HydrophobicContact CD1-CG 4.48Å; Y499-K511 HydrophobicContact CE1-CB 3.81Å; Y499-K511 HydrophobicContact CE1-CG 4.45Å; Y499-K511 HydrophobicContact CG-CB 4.48Å; K511-L514 PolarHBondContact O-N 2.99Å; K511-I515 HydrophobicContact CG-CD1 4.22Å; K511-I515 WeakPolarHBondContact O-CG1 3.5Å; K511-I515 PolarHBondContact O-N 3.46Å
512	S	59.6	Low	60.7	Low	87 Å²	87	74 Å²	74	61%	0.608	39%	0.392	S	S	*	.	H	α-helix	trans	-68.7	-37.9	174.2	48.3	0	0	0	0	112.6	T510 A516	T510-S512 PolarHBondContact O-N 3.37Å; T510-S512 PolarHBondContact OG1-OG 3.09Å; S512-A516 WeakPolarHBondContact O-CB 3.36Å; S512-A516 PolarHBondContact O-N 2.85Å
513	A	62.5	Low	59.7	Low	33 Å²	33	72 Å²	72	27%	0.273	39%	0.386	S	S	.	.	H	α-helix	trans	-67.7	-36.1	171	0	0	0	0	0	112	L508 T510 A516 H517	L508-A513 HydrophobicContact CB-CB 4.44Å; T510-A513 PolarHBondContact O-N 2.92Å; T510-A513 VanDerWaalsContact O-N 3.13Å; T510-A513 VanDerWaalsContact OG1-CB 3.24Å; T510-A513 WeakPolarHBondContact OG1-CB 3.41Å; T510-A513 PolarHBondContact OG1-N 3.36Å; A513-A516 WeakPolarHBondContact O-CB 3.36Å; A513-A516 PolarHBondContact O-N 3.25Å; A513-H517 WeakPolarHBondContact O-CB 3.22Å; A513-H517 PolarHBondContact O-N 3.19Å
514	L	63.6	Low	59.2	Low	19 Å²	19	73.1 Å²	73.1	10%	0.099	39%	0.388	C	S	.	.	H	α-helix	trans	-63.1	-48.4	173.7	176.4	60.8	0	0	0	112	E500 C501 L508 T510 K511 A516 H517 Q518	E500-L514 WeakPolarHBondContact O-CD1 3.3Å; E500-L514 WeakPolarHBondContact O-CD2 3.21Å; C501-L514 HydrophobicContact CB-CD1 3.61Å; L508-L514 HydrophobicContact CD1-CB 4.34Å; L508-L514 HydrophobicContact CD1-CD1 4.32Å; T510-L514 PolarHBondContact O-N 2.79Å; K511-L514 PolarHBondContact O-N 2.99Å; L514-A516 VanDerWaalsContact C-N 3.31Å; L514-A516 PolarHBondContact O-N 3.34Å; L514-H517 CarbonylContact O-C 3.57Å; L514-H517 PolarHBondContact O-N 3.42Å; L514-H517 VanDerWaalsContact O-N 3.08Å; L514-Q518 HydrophobicContact CD1-CG 3.98Å; L514-Q518 HydrophobicContact CG-CG 4.33Å; L514-Q518 WeakPolarHBondContact O-CG 3.39Å; L514-Q518 PolarHBondContact O-N 2.84Å
515	I	63.3	Low	58.8	Low	84 Å²	84	75.8 Å²	75.8	43%	0.431	39%	0.392	S	S	.	.	H	α-helix	trans	-60.3	-43.1	176.9	-67.6	162.7	0	0	0	110.6	K511 H517 Q518 I519	K511-I515 HydrophobicContact CG-CD1 4.22Å; K511-I515 WeakPolarHBondContact O-CG1 3.5Å; K511-I515 PolarHBondContact O-N 3.46Å; I515-H517 VanDerWaalsContact C-N 3.28Å; I515-H517 PolarHBondContact O-N 3.24Å; I515-Q518 PolarHBondContact O-N 3.01Å; I515-I519 HydrophobicContact CG2-CD1 4.29Å; I515-I519 WeakPolarHBondContact O-CG1 3.3Å; I515-I519 PolarHBondContact O-N 3.29Å; I515-I519 VanDerWaalsContact O-N 3.09Å
516	A	58	Low	58.5	Low	17 Å²	17	77 Å²	77	14%	0.14	40%	0.396	C	S	.	.	H	α-helix	trans	-56.3	-41.4	173.3	0	0	0	0	0	112.9	S512 A513 L514 H538	S512-A516 WeakPolarHBondContact O-CB 3.36Å; S512-A516 PolarHBondContact O-N 2.85Å; A513-A516 WeakPolarHBondContact O-CB 3.36Å; A513-A516 PolarHBondContact O-N 3.25Å; L514-A516 VanDerWaalsContact C-N 3.31Å; L514-A516 PolarHBondContact O-N 3.34Å; A516-H538 WeakPolarHBondContact CB-CE1 3.29Å
517	H	63.2	Low	58.5	Low	31 Å²	31	76.1 Å²	76.1	14%	0.144	39%	0.39	C	S	.	.	H	α-helix	trans	-74.5	-38.3	178.7	-176.6	31.5	0	0	0	112.6	C504 K506 L508 A513 L514 I515 I519 T520 H521	C504-H517 PolarHBondContact SG-NE2 3.38Å; K506-H517 WeakPolarHBondContact CD-NE2 3.3Å; L508-H517 HydrophobicContact CD1-CB 3.59Å; A513-H517 WeakPolarHBondContact O-CB 3.22Å; A513-H517 PolarHBondContact O-N 3.19Å; L514-H517 CarbonylContact O-C 3.57Å; L514-H517 PolarHBondContact O-N 3.42Å; L514-H517 VanDerWaalsContact O-N 3.08Å; I515-H517 VanDerWaalsContact C-N 3.28Å; I515-H517 PolarHBondContact O-N 3.24Å; H517-I519 PolarHBondContact O-N 2.98Å; H517-T520 PolarHBondContact ND1-OG1 3.05Å; H517-T520 WeakPolarHBondContact O-CA 3.47Å; H517-T520 WeakPolarHBondContact O-CB 3.44Å; H517-T520 PolarHBondContact O-N 3.18Å; H517-T520 PolarHBondContact O-OG1 3.37Å; H517-H521 AromaticContact CD2-NE2 3.86Å; H517-H521 AromaticContact CE1-CE1 3.4Å; H517-H521 PolarHBondContact CE1-CE1 3.09Å; H517-H521 AromaticContact CE1-NE2 3.14Å; H517-H521 PolarHBondContact CE1-NE2 3.16Å; H517-H521 AromaticContact ND1-NE2 3.8Å; H517-H521 AromaticContact NE2-CE1 3.76Å; H517-H521 AromaticContact NE2-NE2 3.18Å; H517-H521 PolarHBondContact NE2-NE2 2.94Å; H517-H521 VanDerWaalsContact NE2-NE2 3.18Å; H517-H521 PolarHBondContact O-N 3.09Å
518	Q	60.9	Low	58.1	Low	65 Å²	65	75.3 Å²	75.3	30%	0.304	39%	0.388	S	S	.	.	H	α-helix	trans	-62.1	-31.8	174.5	-72.8	170.1	-26.5	0	0	112.2	L514 I515 T520 H521 R522	L514-Q518 HydrophobicContact CD1-CG 3.98Å; L514-Q518 HydrophobicContact CG-CG 4.33Å; L514-Q518 WeakPolarHBondContact O-CG 3.39Å; L514-Q518 PolarHBondContact O-N 2.84Å; I515-Q518 PolarHBondContact O-N 3.01Å; Q518-T520 VanDerWaalsContact C-N 3.28Å; Q518-T520 PolarHBondContact O-N 3.14Å; Q518-H521 PolarHBondContact O-N 2.65Å; Q518-R522 PolarHBondContact O-N 3.35Å
519	I	62.9	Low	57.5	Low	49 Å²	49	73.9 Å²	73.9	25%	0.251	38%	0.38	S	S	.	.	H	α-helix	trans	-63.6	-32.3	170.1	-67.7	162.9	0	0	0	111.7	I515 H517 C537	I515-I519 HydrophobicContact CG2-CD1 4.29Å; I515-I519 WeakPolarHBondContact O-CG1 3.3Å; I515-I519 PolarHBondContact O-N 3.29Å; I515-I519 VanDerWaalsContact O-N 3.09Å; H517-I519 PolarHBondContact O-N 2.98Å; I519-C537 HydrophobicContact CG2-CB 4.33Å
520	T	56.7	Low	57.7	Low	80 Å²	80	78.5 Å²	78.5	49%	0.491	40%	0.401	S	S	.	.	H	α-helix	trans	-70	-31.6	176.8	64.2	0	0	0	0	113	H517 Q518	H517-T520 PolarHBondContact ND1-OG1 3.05Å; H517-T520 WeakPolarHBondContact O-CA 3.47Å; H517-T520 WeakPolarHBondContact O-CB 3.44Å; H517-T520 PolarHBondContact O-N 3.18Å; H517-T520 PolarHBondContact O-OG1 3.37Å; Q518-T520 VanDerWaalsContact C-N 3.28Å; Q518-T520 PolarHBondContact O-N 3.14Å
521	H	56.8	Low	57.2	Low	71 Å²	71	81.8 Å²	81.8	33%	0.329	42%	0.415	S	S	.	.	H	α-helix	trans	-73.4	-38.7	175.9	-65.6	-49.8	0	0	0	113.2	C501 Q503 C504 H517 Q518 G523	C501-H521 PolarHBondContact SG-CD2 3.34Å; C501-H521 PolarHBondContact SG-NE2 3.35Å; Q503-H521 HydrophobicContact CB-CB 4.43Å; C504-H521 PolarHBondContact SG-CE1 2.61Å; C504-H521 PolarHBondContact SG-NE2 2.71Å; H517-H521 AromaticContact CD2-NE2 3.86Å; H517-H521 AromaticContact CE1-CE1 3.4Å; H517-H521 PolarHBondContact CE1-CE1 3.09Å; H517-H521 AromaticContact CE1-NE2 3.14Å; H517-H521 PolarHBondContact CE1-NE2 3.16Å; H517-H521 AromaticContact ND1-NE2 3.8Å; H517-H521 AromaticContact NE2-CE1 3.76Å; H517-H521 AromaticContact NE2-NE2 3.18Å; H517-H521 PolarHBondContact NE2-NE2 2.94Å; H517-H521 VanDerWaalsContact NE2-NE2 3.18Å; H517-H521 PolarHBondContact O-N 3.09Å; Q518-H521 PolarHBondContact O-N 2.65Å; H521-G523 PolarHBondContact O-N 2.87Å; H521-G523 VanDerWaalsContact O-N 3.11Å
522	R	55.1	Low	56.7	Low	217 Å²	217	77.8 Å²	77.8	82%	0.819	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-5.6	-178.4	-74.1	-174.9	170.2	-169.2	-4.3	114.4	Q518 K524	Q518-R522 PolarHBondContact O-N 3.35Å; R522-K524 PolarHBondContact O-N 3.27Å
523	G	50.7	Low	56.1	Low	51 Å²	51	75.3 Å²	75.3	53%	0.526	39%	0.391	S	S	.	.			trans	63.2	-14.5	-177.1	0	0	0	0	0	115.9	H521 K525	H521-G523 PolarHBondContact O-N 2.87Å; H521-G523 VanDerWaalsContact O-N 3.11Å; G523-K525 VanDerWaalsContact C-N 3.25Å; G523-K525 WeakPolarHBondContact O-CD 3.27Å; G523-K525 WeakPolarHBondContact O-CG 3.37Å; G523-K525 PolarHBondContact O-N 3Å
524	K	50.2	Low	55.3	Low	171 Å²	171	79.4 Å²	79.4	74%	0.743	40%	0.403	S	S	*	.			trans	-77.8	71.3	-173.4	-159.9	168.9	-169.8	172.8	0	111	R522 S526	R522-K524 PolarHBondContact O-N 3.27Å; K524-S526 WeakPolarHBondContact O-CA 3.26Å; K524-S526 PolarHBondContact O-N 3.19Å; K524-S526 PolarHBondContact O-OG 3.19Å
525	K	50.9	Low	54.5	Low	122 Å²	122	82.3 Å²	82.3	53%	0.53	42%	0.415	S	S	.	.			trans	-50.5	100.7	176.4	-50.7	124.7	93.7	-160.6	0	108.7	G523 Y527 F535 F536	G523-K525 VanDerWaalsContact C-N 3.25Å; G523-K525 WeakPolarHBondContact O-CD 3.27Å; G523-K525 WeakPolarHBondContact O-CG 3.37Å; G523-K525 PolarHBondContact O-N 3Å; K525-Y527 PolarHBondContact O-N 3.28Å; K525-F535 HydrophobicContact CB-CB 3.21Å; K525-F535 HydrophobicContact CB-CD1 4.34Å; K525-F535 HydrophobicContact CB-CG 4.03Å; K525-F535 HydrophobicContact CD-CB 4.18Å; K525-F535 HydrophobicContact CG-CB 4.05Å; K525-F535 WeakPolarHBondContact O-CD1 3.37Å; K525-F536 CarbonylContact C-O 3.13Å
526	S	52.4	Low	54.2	Low	61 Å²	61	80.4 Å²	80.4	43%	0.427	40%	0.404	S	S	.	.			trans	-85.1	-9	-154.9	-33.3	0	0	0	0	114.7	K524 F536	K524-S526 WeakPolarHBondContact O-CA 3.26Å; K524-S526 PolarHBondContact O-N 3.19Å; K524-S526 PolarHBondContact O-OG 3.19Å; S526-F536 PolarHBondContact N-O 3.19Å; S526-F536 VanDerWaalsContact N-O 3.1Å
527	Y	56.4	Low	53.6	Low	92 Å²	92	81.7 Å²	81.7	36%	0.361	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	91	-174.8	-63.9	-72.5	0	0	0	109.3	K525 F535 F536 K539	K525-Y527 PolarHBondContact O-N 3.28Å; Y527-F535 CarbonylContact O-C 3.07Å; Y527-F535 WeakPolarHBondContact O-CA 3.4Å; Y527-F536 PolarHBondContact N-O 2.87Å; Y527-F536 VanDerWaalsContact N-O 3.09Å; Y527-F536 PolarHBondContact O-N 3.49Å; Y527-K539 HydrophobicContact CD1-CB 4Å; Y527-K539 VanDerWaalsContact CD2-N 3.34Å; Y527-K539 HydrophobicContact CE1-CB 3.79Å; Y527-K539 HydrophobicContact CE1-CG 4.45Å; Y527-K539 HydrophobicContact CE2-CB 4.42Å; Y527-K539 HydrophobicContact CG-CB 4.42Å
528	E	48.4	Very low	53.1	Low	91 Å²	91	83.7 Å²	83.7	43%	0.425	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	147.1	173.7	-169.4	163.9	-172.4	0	0	111.4	F535 L542	E528-F535 HydrophobicContact CB-CD1 3.57Å; E528-F535 HydrophobicContact CB-CE1 3.68Å; E528-F535 HydrophobicContact CB-CG 4.28Å; E528-F535 HydrophobicContact CB-CZ 4.46Å; E528-F535 HydrophobicContact CG-CD1 3.82Å; E528-F535 HydrophobicContact CG-CE1 3.64Å; E528-F535 HydrophobicContact CG-CE2 4.36Å; E528-F535 HydrophobicContact CG-CG 4.25Å; E528-F535 HydrophobicContact CG-CZ 3.92Å; E528-F535 WeakPolarHBondContact OE1-CZ 3.46Å; E528-F535 WeakPolarHBondContact OE2-CE1 3.4Å; E528-F535 WeakPolarHBondContact OE2-CZ 3.39Å; E528-L542 WeakPolarHBondContact O-CD2 3.45Å
529	C	55.3	Low	52.8	Low	0 Å²	0	87.2 Å²	87.2	0%	0	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	101.8	169.7	-167.9	0	0	0	0	109.7	E531 C532 G533 K534 F536 L542 H545 H549	C529-E531 PolarHBondContact O-N 3.31Å; C529-C532 PolarHBondContact O-N 2.88Å; C529-G533 PolarHBondContact O-N 3.31Å; C529-K534 WeakPolarHBondContact CB-O 3.36Å; C529-K534 PolarHBondContact N-O 3.35Å; C529-F536 HydrophobicContact CB-CE2 4.45Å; C529-L542 HydrophobicContact CB-CD1 3.56Å; C529-H545 VanDerWaalsContact SG-CD2 3.56Å; C529-H549 PolarHBondContact SG-CD2 2.74Å; C529-H549 PolarHBondContact SG-NE2 2.86Å
530	N	60.6	Low	52.1	Low	147 Å²	147	88.5 Å²	88.5	79%	0.786	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.1	-28.9	-177.8	-55.4	14.4	0	0	0	113.8
531	E	52.4	Low	51.9	Low	95 Å²	95	87.2 Å²	87.2	44%	0.444	44%	0.441	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-12.1	-177.3	-64.4	158.4	-75.9	0	0	114.5	C529 H549 T550	C529-E531 PolarHBondContact O-N 3.31Å; E531-H549 HydrophobicContact CB-CB 3.98Å; E531-H549 VanDerWaalsContact CD-CB 3.47Å; E531-H549 HydrophobicContact CG-CB 4.29Å; E531-H549 IonicContact OE1-CD2 3.71Å; E531-H549 WeakPolarHBondContact OE2-CB 3.37Å; E531-T550 WeakPolarHBondContact OE2-CG2 3.18Å
532	C	51.8	Low	51.9	Low	50 Å²	50	84.4 Å²	84.4	34%	0.338	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	-156.7	11	179.4	72.7	0	0	0	0	117.1	C529 K534 H545 H549	C529-C532 PolarHBondContact O-N 2.88Å; C532-K534 PolarHBondContact O-N 3.47Å; C532-H545 PolarHBondContact SG-NE2 2.99Å; C532-H549 PolarHBondContact SG-CE1 3.4Å; C532-H549 PolarHBondContact SG-NE2 2.89Å
533	G	46.1	Very low	52	Low	35 Å²	35	76.3 Å²	76.3	36%	0.361	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.3	11.9	177.6	0	0	0	0	0	115.4	C529 F535	C529-G533 PolarHBondContact O-N 3.31Å; G533-F535 WeakPolarHBondContact O-CD2 3.45Å; G533-F535 WeakPolarHBondContact O-CE2 3.19Å
534	K	45.2	Very low	52.2	Low	119 Å²	119	77.7 Å²	77.7	52%	0.517	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	128.3	174.4	-70.3	172.7	-170.9	154	0	109.2	C529 C532 F536	C529-K534 WeakPolarHBondContact CB-O 3.36Å; C529-K534 PolarHBondContact N-O 3.35Å; C532-K534 PolarHBondContact O-N 3.47Å; K534-F536 HydrophobicContact CB-CE2 3.79Å; K534-F536 HydrophobicContact CB-CZ 4.11Å; K534-F536 VanDerWaalsContact O-CE2 3.29Å; K534-F536 WeakPolarHBondContact O-CE2 3.4Å
535	F	46.1	Very low	52.4	Low	81 Å²	81	70.6 Å²	70.6	36%	0.355	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	146.4	-176.9	-52.6	-112.7	0	0	0	112.3	K525 Y527 E528 G533	K525-F535 HydrophobicContact CB-CB 3.21Å; K525-F535 HydrophobicContact CB-CD1 4.34Å; K525-F535 HydrophobicContact CB-CG 4.03Å; K525-F535 HydrophobicContact CD-CB 4.18Å; K525-F535 HydrophobicContact CG-CB 4.05Å; K525-F535 WeakPolarHBondContact O-CD1 3.37Å; Y527-F535 CarbonylContact O-C 3.07Å; Y527-F535 WeakPolarHBondContact O-CA 3.4Å; E528-F535 HydrophobicContact CB-CD1 3.57Å; E528-F535 HydrophobicContact CB-CE1 3.68Å; E528-F535 HydrophobicContact CB-CG 4.28Å; E528-F535 HydrophobicContact CB-CZ 4.46Å; E528-F535 HydrophobicContact CG-CD1 3.82Å; E528-F535 HydrophobicContact CG-CE1 3.64Å; E528-F535 HydrophobicContact CG-CE2 4.36Å; E528-F535 HydrophobicContact CG-CG 4.25Å; E528-F535 HydrophobicContact CG-CZ 3.92Å; E528-F535 WeakPolarHBondContact OE1-CZ 3.46Å; E528-F535 WeakPolarHBondContact OE2-CE1 3.4Å; E528-F535 WeakPolarHBondContact OE2-CZ 3.39Å; G533-F535 WeakPolarHBondContact O-CD2 3.45Å; G533-F535 WeakPolarHBondContact O-CE2 3.19Å
536	F	57.5	Low	52.6	Low	43 Å²	43	67.3 Å²	67.3	19%	0.189	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	154.9	-174.4	-61.8	-93.2	0	0	0	111.9	K525 S526 Y527 C529 K534 H538 T541 L542 H545	K525-F536 CarbonylContact C-O 3.13Å; S526-F536 PolarHBondContact N-O 3.19Å; S526-F536 VanDerWaalsContact N-O 3.1Å; Y527-F536 PolarHBondContact N-O 2.87Å; Y527-F536 VanDerWaalsContact N-O 3.09Å; Y527-F536 PolarHBondContact O-N 3.49Å; C529-F536 HydrophobicContact CB-CE2 4.45Å; K534-F536 HydrophobicContact CB-CE2 3.79Å; K534-F536 HydrophobicContact CB-CZ 4.11Å; K534-F536 VanDerWaalsContact O-CE2 3.29Å; K534-F536 WeakPolarHBondContact O-CE2 3.4Å; F536-H538 VanDerWaalsContact C-N 3.33Å; F536-T541 HydrophobicContact CD1-CG2 3.64Å; F536-T541 HydrophobicContact CE1-CG2 4.19Å; F536-L542 HydrophobicContact CB-CB 4.21Å; F536-L542 HydrophobicContact CD2-CB 4.19Å; F536-L542 HydrophobicContact CD2-CD1 3.81Å; F536-L542 HydrophobicContact CE2-CD1 4.23Å; F536-L542 HydrophobicContact CG-CB 4.32Å; F536-H545 HydrophobicContact CE1-CB 4.12Å; F536-H545 HydrophobicContact CE2-CB 4.07Å; F536-H545 AromaticContact CE2-CD2 3.08Å; F536-H545 WeakPolarHBondContact CE2-CD2 3.41Å; F536-H545 AromaticContact CE2-CG 3.72Å; F536-H545 AromaticContact CE2-NE2 3.8Å; F536-H545 HydrophobicContact CZ-CB 3.69Å; F536-H545 AromaticContact CZ-CD2 3.21Å; F536-H545 WeakPolarHBondContact CZ-CD2 3.32Å; F536-H545 AromaticContact CZ-CG 3.38Å; F536-H545 AromaticContact CZ-NE2 3.84Å
537	C	44.9	Very low	52.8	Low	44 Å²	44	72.5 Å²	72.5	30%	0.297	36%	0.363	S	S	.	.	S	Bend	trans	-79.3	-13.1	173.6	52.8	0	0	0	0	113.7	I519	I519-C537 HydrophobicContact CG2-CB 4.33Å
538	H	53.3	Low	52.6	Low	73 Å²	73	70.7 Å²	70.7	34%	0.338	36%	0.362	S	S	.	.			trans	-140.3	138.3	-175.9	-70	-57.2	0	0	0	112.6	A516 F536 S540 T541 L542	A516-H538 WeakPolarHBondContact CB-CE1 3.29Å; F536-H538 VanDerWaalsContact C-N 3.33Å; H538-S540 VanDerWaalsContact C-N 3.25Å; H538-S540 PolarHBondContact O-N 3.15Å; H538-T541 PolarHBondContact O-N 3.41Å; H538-T541 VanDerWaalsContact O-N 3.16Å; H538-L542 PolarHBondContact O-N 3.29Å
539	K	54.4	Low	52.6	Low	139 Å²	139	69.2 Å²	69.2	60%	0.604	36%	0.355	S	S	*	.	H	α-helix	trans	-58.1	-35.9	170.6	-170.9	169	-178.8	173.1	0	112.3	Y527 L542 T543	Y527-K539 HydrophobicContact CD1-CB 4Å; Y527-K539 VanDerWaalsContact CD2-N 3.34Å; Y527-K539 HydrophobicContact CE1-CB 3.79Å; Y527-K539 HydrophobicContact CE1-CG 4.45Å; Y527-K539 HydrophobicContact CE2-CB 4.42Å; Y527-K539 HydrophobicContact CG-CB 4.42Å; K539-L542 PolarHBondContact O-N 3.48Å; K539-T543 WeakPolarHBondContact O-CB 3.39Å; K539-T543 PolarHBondContact O-N 3.35Å; K539-T543 PolarHBondContact O-OG1 2.8Å
540	S	49.7	Very low	52.3	Low	76 Å²	76	72.7 Å²	72.7	53%	0.531	38%	0.376	S	S	.	.	H	α-helix	trans	-64.6	-40.4	176.1	53.1	0	0	0	0	112.8	H538 T543 I544	H538-S540 VanDerWaalsContact C-N 3.25Å; H538-S540 PolarHBondContact O-N 3.15Å; S540-T543 PolarHBondContact O-N 3.18Å; S540-I544 VanDerWaalsContact O-CG1 3.29Å; S540-I544 WeakPolarHBondContact O-CG1 3.43Å; S540-I544 PolarHBondContact O-N 3.18Å
541	T	52.4	Low	51.8	Low	54 Å²	54	69 Å²	69	33%	0.331	37%	0.373	S	S	.	.	H	α-helix	trans	-72.2	-37.8	175.2	-43.3	0	0	0	0	111.5	F536 H538 I544 H545	F536-T541 HydrophobicContact CD1-CG2 3.64Å; F536-T541 HydrophobicContact CE1-CG2 4.19Å; H538-T541 PolarHBondContact O-N 3.41Å; H538-T541 VanDerWaalsContact O-N 3.16Å; T541-I544 PolarHBondContact O-N 3.47Å; T541-H545 WeakPolarHBondContact O-CB 3.43Å; T541-H545 PolarHBondContact O-N 3.24Å; T541-H545 VanDerWaalsContact O-N 3.09Å
542	L	56.8	Low	50.8	Low	12 Å²	12	71.8 Å²	71.8	6%	0.063	39%	0.386	C	S	.	.	H	α-helix	trans	-58.8	-48	169.4	174.4	64	0	0	0	110.8	E528 C529 F536 H538 K539 I544 H545 Q546	E528-L542 WeakPolarHBondContact O-CD2 3.45Å; C529-L542 HydrophobicContact CB-CD1 3.56Å; F536-L542 HydrophobicContact CB-CB 4.21Å; F536-L542 HydrophobicContact CD2-CB 4.19Å; F536-L542 HydrophobicContact CD2-CD1 3.81Å; F536-L542 HydrophobicContact CE2-CD1 4.23Å; F536-L542 HydrophobicContact CG-CB 4.32Å; H538-L542 PolarHBondContact O-N 3.29Å; K539-L542 PolarHBondContact O-N 3.48Å; L542-I544 VanDerWaalsContact C-N 3.35Å; L542-I544 PolarHBondContact O-N 2.82Å; L542-H545 CarbonylContact O-C 3.52Å; L542-H545 VanDerWaalsContact O-CA 3.29Å; L542-H545 WeakPolarHBondContact O-CA 3.4Å; L542-H545 WeakPolarHBondContact O-CB 3.27Å; L542-H545 PolarHBondContact O-N 3.45Å; L542-Q546 HydrophobicContact CD1-CG 3.86Å; L542-Q546 HydrophobicContact CG-CG 4Å; L542-Q546 WeakPolarHBondContact O-CG 3.4Å; L542-Q546 PolarHBondContact O-N 3.47Å
543	T	57.2	Low	50.1	Low	47 Å²	47	78.2 Å²	78.2	29%	0.288	41%	0.408	S	S	.	.	H	α-helix	trans	-66.1	-34.2	-179.6	-62	0	0	0	0	112.8	K539 S540 H545 R547	K539-T543 WeakPolarHBondContact O-CB 3.39Å; K539-T543 PolarHBondContact O-N 3.35Å; K539-T543 PolarHBondContact O-OG1 2.8Å; S540-T543 PolarHBondContact O-N 3.18Å; T543-H545 PolarHBondContact O-N 3.41Å; T543-R547 WeakPolarHBondContact O-CG 3.25Å; T543-R547 PolarHBondContact O-N 3.31Å
544	I	53.2	Low	49.5	Very low	79 Å²	79	85.1 Å²	85.1	41%	0.405	43%	0.431	S	S	.	.	H	α-helix	trans	-63.9	-26.7	169.4	-70.5	164.8	0	0	0	111.3	S540 T541 L542	S540-I544 VanDerWaalsContact O-CG1 3.29Å; S540-I544 WeakPolarHBondContact O-CG1 3.43Å; S540-I544 PolarHBondContact O-N 3.18Å; T541-I544 PolarHBondContact O-N 3.47Å; L542-I544 VanDerWaalsContact C-N 3.35Å; L542-I544 PolarHBondContact O-N 2.82Å
545	H	55.8	Low	48.6	Very low	22 Å²	22	82.3 Å²	82.3	10%	0.102	44%	0.436	C	S	.	.	H	α-helix	trans	-90.3	-31.5	177	175.9	51.9	0	0	0	114.5	C529 C532 F536 T541 L542 T543 R547 T548 H549	C529-H545 VanDerWaalsContact SG-CD2 3.56Å; C532-H545 PolarHBondContact SG-NE2 2.99Å; F536-H545 HydrophobicContact CE1-CB 4.12Å; F536-H545 HydrophobicContact CE2-CB 4.07Å; F536-H545 AromaticContact CE2-CD2 3.08Å; F536-H545 WeakPolarHBondContact CE2-CD2 3.41Å; F536-H545 AromaticContact CE2-CG 3.72Å; F536-H545 AromaticContact CE2-NE2 3.8Å; F536-H545 HydrophobicContact CZ-CB 3.69Å; F536-H545 AromaticContact CZ-CD2 3.21Å; F536-H545 WeakPolarHBondContact CZ-CD2 3.32Å; F536-H545 AromaticContact CZ-CG 3.38Å; F536-H545 AromaticContact CZ-NE2 3.84Å; T541-H545 WeakPolarHBondContact O-CB 3.43Å; T541-H545 PolarHBondContact O-N 3.24Å; T541-H545 VanDerWaalsContact O-N 3.09Å; L542-H545 CarbonylContact O-C 3.52Å; L542-H545 VanDerWaalsContact O-CA 3.29Å; L542-H545 WeakPolarHBondContact O-CA 3.4Å; L542-H545 WeakPolarHBondContact O-CB 3.27Å; L542-H545 PolarHBondContact O-N 3.45Å; T543-H545 PolarHBondContact O-N 3.41Å; H545-R547 PolarHBondContact O-N 3.3Å; H545-T548 PolarHBondContact CE1-OG1 2.86Å; H545-T548 PolarHBondContact ND1-OG1 2.93Å; H545-T548 WeakPolarHBondContact O-CA 3.3Å; H545-T548 WeakPolarHBondContact O-CB 3.3Å; H545-T548 PolarHBondContact O-N 3.02Å; H545-T548 PolarHBondContact O-OG1 3.11Å; H545-H549 AromaticContact CD2-NE2 3.68Å; H545-H549 AromaticContact CE1-CE1 3.35Å; H545-H549 PolarHBondContact CE1-CE1 2.83Å; H545-H549 AromaticContact CE1-NE2 3.08Å; H545-H549 PolarHBondContact CE1-NE2 2.87Å; H545-H549 AromaticContact ND1-NE2 3.76Å; H545-H549 AromaticContact NE2-CE1 3.67Å; H545-H549 AromaticContact NE2-NE2 3.04Å; H545-H549 PolarHBondContact NE2-NE2 3.12Å; H545-H549 PolarHBondContact O-CD2 3.19Å
546	Q	54.4	Low	47.6	Very low	53 Å²	53	84.3 Å²	84.3	25%	0.248	45%	0.454	C	S	.	.	H	α-helix	trans	-62.2	-34.4	174.1	-72.4	171	-60.1	0	0	110.6	L542 T548 H549 T550	L542-Q546 HydrophobicContact CD1-CG 3.86Å; L542-Q546 HydrophobicContact CG-CG 4Å; L542-Q546 WeakPolarHBondContact O-CG 3.4Å; L542-Q546 PolarHBondContact O-N 3.47Å; Q546-T548 PolarHBondContact O-N 3.3Å; Q546-H549 PolarHBondContact O-N 2.92Å; Q546-T550 WeakPolarHBondContact O-CG2 3.34Å; Q546-T550 PolarHBondContact O-N 2.85Å; Q546-T550 PolarHBondContact O-OG1 2.68Å
547	R	56.5	Low	46	Very low	170 Å²	170	92.6 Å²	92.6	64%	0.642	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-6.9	167.3	-65.3	170.2	-171	-167.8	-1.6	115	T543 H545	T543-R547 WeakPolarHBondContact O-CG 3.25Å; T543-R547 PolarHBondContact O-N 3.31Å; H545-R547 PolarHBondContact O-N 3.3Å
548	T	51.5	Low	45.1	Very low	54 Å²	54	97 Å²	97	33%	0.331	51%	0.511	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.5	4.9	170.4	78	0	0	0	0	112.9	H545 Q546 W606	H545-T548 PolarHBondContact CE1-OG1 2.86Å; H545-T548 PolarHBondContact ND1-OG1 2.93Å; H545-T548 WeakPolarHBondContact O-CA 3.3Å; H545-T548 WeakPolarHBondContact O-CB 3.3Å; H545-T548 PolarHBondContact O-N 3.02Å; H545-T548 PolarHBondContact O-OG1 3.11Å; Q546-T548 PolarHBondContact O-N 3.3Å; T548-W606 WeakPolarHBondContact O-CZ3 3.48Å
549	H	50	Low	43.9	Very low	61 Å²	61	102.8 Å²	102.8	28%	0.282	54%	0.535	S	S	.	.	T	Hydrogen-bonded Turn	trans	-132.5	-44.2	-179.1	-46.1	-58.3	0	0	0	112.7	C529 E531 C532 H545 Q546 G551	C529-H549 PolarHBondContact SG-CD2 2.74Å; C529-H549 PolarHBondContact SG-NE2 2.86Å; E531-H549 HydrophobicContact CB-CB 3.98Å; E531-H549 VanDerWaalsContact CD-CB 3.47Å; E531-H549 HydrophobicContact CG-CB 4.29Å; E531-H549 IonicContact OE1-CD2 3.71Å; E531-H549 WeakPolarHBondContact OE2-CB 3.37Å; C532-H549 PolarHBondContact SG-CE1 3.4Å; C532-H549 PolarHBondContact SG-NE2 2.89Å; H545-H549 AromaticContact CD2-NE2 3.68Å; H545-H549 AromaticContact CE1-CE1 3.35Å; H545-H549 PolarHBondContact CE1-CE1 2.83Å; H545-H549 AromaticContact CE1-NE2 3.08Å; H545-H549 PolarHBondContact CE1-NE2 2.87Å; H545-H549 AromaticContact ND1-NE2 3.76Å; H545-H549 AromaticContact NE2-CE1 3.67Å; H545-H549 AromaticContact NE2-NE2 3.04Å; H545-H549 PolarHBondContact NE2-NE2 3.12Å; H545-H549 PolarHBondContact O-CD2 3.19Å; Q546-H549 PolarHBondContact O-N 2.92Å; H549-G551 PolarHBondContact O-N 3.1Å
550	T	47.9	Very low	42.3	Very low	73 Å²	73	102.7 Å²	102.7	45%	0.448	55%	0.551	S	S	.	*			trans	-66.9	-10.3	-162.8	55.1	0	0	0	0	116.8	E531 Q546 E552	E531-T550 WeakPolarHBondContact OE2-CG2 3.18Å; Q546-T550 WeakPolarHBondContact O-CG2 3.34Å; Q546-T550 PolarHBondContact O-N 2.85Å; Q546-T550 PolarHBondContact O-OG1 2.68Å; T550-E552 PolarHBondContact O-N 2.85Å
551	G	50.1	Low	41.1	Very low	70 Å²	70	102.4 Å²	102.4	72%	0.722	56%	0.56	S	S	*	*			trans	65	-19.2	167.7	0	0	0	0	0	119.2	H549	H549-G551 PolarHBondContact O-N 3.1Å
552	E	32.9	Very low	39.8	Very low	152 Å²	152	111.9 Å²	111.9	71%	0.71	59%	0.589	S	S	*	*			trans	-101	135.6	-170.3	-66.8	-169.1	139.4	0	0	114.6	T550 H554	T550-E552 PolarHBondContact O-N 2.85Å; E552-H554 PolarHBondContact O-N 3.4Å
553	K	36.5	Very low	38.2	Very low	185 Å²	185	119.5 Å²	119.5	80%	0.804	63%	0.628	S	S	*	*			trans	-62.9	93.8	177.3	-66.5	177.5	179.2	179	0	112.2	G555	K553-G555 PolarHBondContact O-N 3.18Å
554	H	32.4	Very low	36.5	Very low	180 Å²	180	122.7 Å²	122.7	83%	0.833	65%	0.653	S	S	*	*			trans	-82	100.3	160.7	-103.1	66.8	0	0	0	110.1	E552	E552-H554 PolarHBondContact O-N 3.4Å
555	G	27	Very low	35.1	Very low	61 Å²	61	126.5 Å²	126.5	63%	0.629	67%	0.672	S	S	*	*			trans	-55.6	142.5	-174.4	0	0	0	0	0	113.9	K553 F557	K553-G555 PolarHBondContact O-N 3.18Å; G555-F557 PolarHBondContact O-N 3.3Å
556	V	25.7	Very low	33.5	Very low	122 Å²	122	133.9 Å²	133.9	74%	0.739	71%	0.709	S	S	*	*			trans	-62.2	125.8	163.5	-178.9	0	0	0	0	107.6	N558	V556-N558 HydrophobicContact CG1-CB 4.43Å; V556-N558 WeakPolarHBondContact CG1-OD1 3.36Å; V556-N558 PolarHBondContact O-N 3.26Å
557	F	23	Very low	32.4	Very low	217 Å²	217	140.3 Å²	140.3	95%	0.952	74%	0.736	S	S	*	*			trans	-71.6	68	170.2	-97.2	-86.9	0	0	0	110.9	G555	G555-F557 PolarHBondContact O-N 3.3Å
558	N	26.9	Very low	31.1	Very low	136 Å²	136	137.6 Å²	137.6	73%	0.727	74%	0.743	S	S	*	*			trans	-97.8	134.9	159.7	-73.6	-5.8	0	0	0	107.4	V556	V556-N558 HydrophobicContact CG1-CB 4.43Å; V556-N558 WeakPolarHBondContact CG1-OD1 3.36Å; V556-N558 PolarHBondContact O-N 3.26Å
559	K	27.3	Very low	30.1	Very low	195 Å²	195	142.4 Å²	142.4	85%	0.848	77%	0.767	S	S	*	*			trans	-71.1	140.5	176.9	-73.9	175.1	175.1	171.5	0	110.4
560	C	22	Very low	29.3	Very low	137 Å²	137	144.3 Å²	144.3	93%	0.926	79%	0.786	S	S	*	*			trans	103.7	141.9	163.3	-153.1	0	0	0	0	117.3
561	G	23.4	Very low	28.8	Very low	70 Å²	70	146.2 Å²	146.2	72%	0.722	80%	0.802	S	S	*	*			trans	90.3	118.6	163.6	0	0	0	0	0	117
562	R	26	Very low	28.2	Very low	253 Å²	253	151 Å²	151	96%	0.955	81%	0.805	S	S	*	*			trans	-78.1	136.9	154.6	-71.8	173.2	170.1	153	-7.2	108.5
563	I	23.2	Very low	28.3	Very low	172 Å²	172	148.5 Å²	148.5	88%	0.882	80%	0.804	S	S	*	*			trans	-134.8	141.5	154	-62.4	-174.6	0	0	0	108.6
564	S	21.5	Very low	28.5	Very low	114 Å²	114	148.6 Å²	148.6	80%	0.797	80%	0.804	S	S	*	*			trans	-76.4	162.3	-167.4	-55.3	0	0	0	0	114.8	M566	S564-M566 PolarHBondContact O-N 3.42Å
565	I	23.8	Very low	28.6	Very low	160 Å²	160	148 Å²	148	82%	0.821	80%	0.795	S	S	*	*			trans	-79.5	111.3	172.3	-58.4	168.7	0	0	0	109.3
566	M	21.6	Very low	28.8	Very low	176 Å²	176	152.4 Å²	152.4	87%	0.867	80%	0.801	S	S	*	*			trans	-78.7	126	158.8	-80.1	-172.8	71.7	0	0	109.9	S564	S564-M566 PolarHBondContact O-N 3.42Å
567	K	31.8	Very low	29.2	Very low	189 Å²	189	152.7 Å²	152.7	82%	0.822	80%	0.798	S	S	*	*			trans	-83	138.3	159.7	-64.9	176.6	179.8	176.1	0	107.9
568	S	29	Very low	30.1	Very low	112 Å²	112	147.1 Å²	147.1	78%	0.783	78%	0.782	S	S	*	*			trans	-131.9	90.7	170.8	56.8	0	0	0	0	110
569	N	29.7	Very low	30.8	Very low	155 Å²	155	149.8 Å²	149.8	83%	0.829	79%	0.787	S	S	*	*			trans	-74.9	128	164.8	-69.1	-6.5	0	0	0	108	S571	N569-S571 PolarHBondContact O-N 2.95Å
570	C	32.9	Very low	31.5	Very low	101 Å²	101	148.3 Å²	148.3	68%	0.682	78%	0.783	S	S	*	*			trans	-73.6	124.7	168.7	-178	0	0	0	0	109.4
571	S	39.2	Very low	32.4	Very low	114 Å²	114	144.5 Å²	144.5	80%	0.797	75%	0.754	S	S	*	*	S	Bend	trans	-93.6	0.5	-168.9	49.2	0	0	0	0	115.3	N569	N569-S571 PolarHBondContact O-N 2.95Å
572	Q	36.2	Very low	33.1	Very low	169 Å²	169	144.6 Å²	144.6	79%	0.79	74%	0.737	S	S	*	*			trans	-111.1	0.2	-167.3	-72.3	176.9	-33.9	0	0	115.7	K574	Q572-K574 PolarHBondContact O-N 3Å
573	C	36.4	Very low	33.7	Very low	101 Å²	101	137.7 Å²	137.7	68%	0.682	71%	0.712	S	S	*	*			trans	-80.4	95.2	176.8	-70	0	0	0	0	112.2
574	K	39.3	Very low	34.1	Very low	186 Å²	186	137 Å²	137	81%	0.809	71%	0.705	S	S	*	*			trans	-80.2	140.4	167.2	-75.5	-174.7	176.7	179.3	0	111	Q572	Q572-K574 PolarHBondContact O-N 3Å
575	R	35.9	Very low	34.5	Very low	169 Å²	169	135.5 Å²	135.5	64%	0.638	69%	0.694	S	S	*	*			trans	-100.5	115.7	-178	171.8	-179.5	168.8	-168	-3.4	110.1	Y583	R575-Y583 HydrophobicContact CB-CE1 3.92Å; R575-Y583 HydrophobicContact CG-CE1 4.17Å
576	M	30.2	Very low	35.1	Very low	153 Å²	153	134 Å²	134	75%	0.754	70%	0.697	S	S	*	*			trans	-102.1	120	176.1	-74.9	-62.4	-160.7	0	0	112
577	N	34.9	Very low	35.5	Very low	128 Å²	128	133.5 Å²	133.5	68%	0.684	69%	0.693	S	S	*	*			trans	61.2	150.6	168.1	-144.8	-24.3	0	0	0	117.5
578	T	41	Very low	35.8	Very low	99 Å²	99	131.3 Å²	131.3	61%	0.607	69%	0.686	S	S	*	*	S	Bend	trans	-100.3	-13	-166.3	43.1	0	0	0	0	115
579	K	42	Very low	36	Very low	193 Å²	193	128.8 Å²	128.8	84%	0.839	68%	0.677	S	S	*	*	S	Bend	trans	-90.2	-27.5	-175.1	-72.5	-173.2	174.2	-179.2	0	115.8
580	E	41.9	Very low	36.2	Very low	163 Å²	163	129 Å²	129	76%	0.762	67%	0.672	S	S	*	*	S	Bend	trans	-121.9	-8.5	-174.6	-63.2	-162.4	141.9	0	0	116.7	L582	E580-L582 VanDerWaalsContact C-N 3.34Å; E580-L582 PolarHBondContact O-N 3Å
581	N	40.1	Very low	36.1	Very low	58 Å²	58	127.4 Å²	127.4	31%	0.31	67%	0.667	S	S	.	*			trans	56.2	36.5	171.5	-72.7	-97.2	0	0	0	115.9	K594	N581-K594 HydrophobicContact CB-CD 4.14Å; N581-K594 PolarHBondContact OD1-NZ 3.03Å
582	L	37.6	Very low	35.9	Very low	71 Å²	71	127 Å²	127	37%	0.372	66%	0.655	S	S	.	*			trans	-86	150.7	170.2	-67.8	169.7	0	0	0	111.3	E580	E580-L582 VanDerWaalsContact C-N 3.34Å; E580-L582 PolarHBondContact O-N 3Å
583	Y	38.6	Very low	35.9	Very low	108 Å²	108	122.6 Å²	122.6	42%	0.424	64%	0.643	S	S	.	*			trans	-138.6	145.3	174.5	-70.2	-96.5	0	0	0	108.4	R575	R575-Y583 HydrophobicContact CB-CE1 3.92Å; R575-Y583 HydrophobicContact CG-CE1 4.17Å
584	E	32.6	Very low	35.7	Very low	157 Å²	157	123.5 Å²	123.5	73%	0.734	64%	0.635	S	S	*	*			trans	-118	146.4	177.5	-175.6	166.5	-148.7	0	0	110
585	C	30.8	Very low	35.6	Very low	83 Å²	83	120.6 Å²	120.6	56%	0.561	63%	0.628	S	S	*	*			trans	-133.3	122	178.9	-177.4	0	0	0	0	109	E587 H588	C585-E587 PolarHBondContact O-N 3.07Å; C585-E587 VanDerWaalsContact O-N 3.1Å; C585-H588 CarbonylContact O-C 3.52Å; C585-H588 PolarHBondContact O-N 3.39Å
586	S	34.8	Very low	35.4	Very low	129 Å²	129	114.2 Å²	114.2	90%	0.902	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.4	-6.8	-164.2	44.4	0	0	0	0	116.1
587	E	30.8	Very low	35.6	Very low	165 Å²	165	112.8 Å²	112.8	77%	0.771	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.5	-22.5	169.4	-67.4	-163.3	135.2	0	0	113.3	C585	C585-E587 PolarHBondContact O-N 3.07Å; C585-E587 VanDerWaalsContact O-N 3.1Å
588	H	37.2	Very low	35.5	Very low	144 Å²	144	111.4 Å²	111.4	67%	0.667	59%	0.592	S	S	*	*	S	Bend	trans	-138.6	78.2	-168.7	-63.5	-8.9	0	0	0	110.3	C585 H590	C585-H588 CarbonylContact O-C 3.52Å; C585-H588 PolarHBondContact O-N 3.39Å; H588-H590 VanDerWaalsContact C-N 3.28Å; H588-H590 PolarHBondContact O-N 2.85Å
589	G	33	Very low	35.3	Very low	58 Å²	58	111.1 Å²	111.1	60%	0.598	59%	0.586	S	S	*	*			trans	-68.1	61.7	-170.6	0	0	0	0	0	117.1
590	H	34.7	Very low	34.9	Very low	159 Å²	159	106.4 Å²	106.4	74%	0.736	57%	0.573	S	S	*	*			trans	-140.5	123.1	167.6	-68.6	-42.1	0	0	0	110.7	H588 I592	H588-H590 VanDerWaalsContact C-N 3.28Å; H588-H590 PolarHBondContact O-N 2.85Å; H590-I592 WeakPolarHBondContact O-CG1 3.47Å
591	A	31	Very low	34.4	Very low	69 Å²	69	103.4 Å²	103.4	57%	0.57	56%	0.559	S	S	*	*			trans	-73.4	131	174.9	0	0	0	0	0	111.3
592	I	34.8	Very low	33.9	Very low	106 Å²	106	106 Å²	106	54%	0.544	57%	0.57	S	S	.	*			trans	-142.7	141.6	179.8	-29.1	177.8	0	0	0	110.7	H590 S596	H590-I592 WeakPolarHBondContact O-CG1 3.47Å; I592-S596 VanDerWaalsContact CB-OG 3.3Å; I592-S596 WeakPolarHBondContact CB-OG 3.41Å; I592-S596 WeakPolarHBondContact CG2-OG 3.35Å
593	S	35.5	Very low	33.7	Very low	76 Å²	76	111.2 Å²	111.2	53%	0.531	58%	0.584	S	S	.	*			trans	-75.1	156.7	-173.4	67.9	0	0	0	0	114.5	N595 S596	S593-N595 PolarHBondContact O-N 3.3Å; S593-S596 PolarHBondContact O-N 3.27Å; S593-S596 PolarHBondContact O-OG 2.81Å
594	K	34	Very low	33.4	Very low	120 Å²	120	111 Å²	111	52%	0.522	60%	0.595	S	S	.	*	H	α-helix	trans	-36.6	-37.8	-170.6	-101.7	172.4	169.3	171.2	0	117.8	N581 H597 L598	N581-K594 HydrophobicContact CB-CD 4.14Å; N581-K594 PolarHBondContact OD1-NZ 3.03Å; K594-H597 PolarHBondContact O-N 3.08Å; K594-L598 PolarHBondContact O-N 2.88Å; K594-L598 VanDerWaalsContact O-N 3.15Å
595	N	35.4	Very low	33.8	Very low	125 Å²	125	110.1 Å²	110.1	67%	0.668	59%	0.593	S	S	*	*	H	α-helix	trans	-70.6	-29.6	-177.7	-76.6	-9.2	0	0	0	113.8	S593 I599	S593-N595 PolarHBondContact O-N 3.3Å; N595-I599 WeakPolarHBondContact O-CG1 3.23Å; N595-I599 PolarHBondContact O-N 3.03Å
596	S	32.7	Very low	33.9	Very low	34 Å²	34	112 Å²	112	24%	0.238	59%	0.589	C	S	.	*	H	α-helix	trans	-72.8	-42.1	174.6	67.1	0	0	0	0	110.9	I592 S593 L598 I599 V600	I592-S596 VanDerWaalsContact CB-OG 3.3Å; I592-S596 WeakPolarHBondContact CB-OG 3.41Å; I592-S596 WeakPolarHBondContact CG2-OG 3.35Å; S593-S596 PolarHBondContact O-N 3.27Å; S593-S596 PolarHBondContact O-OG 2.81Å; S596-L598 VanDerWaalsContact C-N 3.27Å; S596-L598 PolarHBondContact O-N 3.22Å; S596-I599 PolarHBondContact O-N 3.39Å; S596-V600 WeakPolarHBondContact O-CG2 3.49Å; S596-V600 PolarHBondContact O-N 2.9Å
597	H	34.4	Very low	34.6	Very low	124 Å²	124	111.2 Å²	111.2	57%	0.574	57%	0.571	S	S	*	*	H	α-helix	trans	-57.6	-41.5	176.3	-170.2	-111	0	0	0	111.1	K594 I599 V600 H601	K594-H597 PolarHBondContact O-N 3.08Å; H597-I599 PolarHBondContact O-N 3.07Å; H597-V600 PolarHBondContact O-N 3.4Å; H597-H601 WeakPolarHBondContact O-CB 3.42Å; H597-H601 PolarHBondContact O-N 3.35Å
598	L	33.1	Very low	35.5	Very low	98 Å²	98	107.3 Å²	107.3	51%	0.513	55%	0.549	S	S	.	.	H	α-helix	trans	-61.5	-41.9	174.7	-163.1	72.2	0	0	0	112.4	K594 S596 H601 Q602	K594-L598 PolarHBondContact O-N 2.88Å; K594-L598 VanDerWaalsContact O-N 3.15Å; S596-L598 VanDerWaalsContact C-N 3.27Å; S596-L598 PolarHBondContact O-N 3.22Å; L598-H601 PolarHBondContact O-N 3.28Å; L598-Q602 WeakPolarHBondContact O-CB 3.49Å; L598-Q602 WeakPolarHBondContact O-CG 3.36Å; L598-Q602 PolarHBondContact O-N 3.02Å
599	I	35.9	Very low	36.1	Very low	93 Å²	93	105.2 Å²	105.2	48%	0.477	55%	0.548	S	S	.	.	H	α-helix	trans	-70.7	-32.1	178.6	-68.4	172.2	0	0	0	112.3	N595 S596 H597 R603	N595-I599 WeakPolarHBondContact O-CG1 3.23Å; N595-I599 PolarHBondContact O-N 3.03Å; S596-I599 PolarHBondContact O-N 3.39Å; H597-I599 PolarHBondContact O-N 3.07Å; I599-R603 WeakPolarHBondContact O-CG 3.5Å
600	V	33.2	Very low	37.2	Very low	94 Å²	94	107 Å²	107	57%	0.57	54%	0.538	S	S	*	.	H	α-helix	trans	-72.1	-44.9	174.2	174.2	0	0	0	0	110.5	S596 H597 Q602 R603	S596-V600 WeakPolarHBondContact O-CG2 3.49Å; S596-V600 PolarHBondContact O-N 2.9Å; H597-V600 PolarHBondContact O-N 3.4Å; V600-Q602 VanDerWaalsContact C-N 3.31Å; V600-Q602 PolarHBondContact O-N 3.42Å; V600-R603 WeakPolarHBondContact O-CB 3.38Å; V600-R603 PolarHBondContact O-N 3.27Å
601	H	31.6	Very low	38.3	Very low	101 Å²	101	104.6 Å²	104.6	47%	0.468	53%	0.527	S	S	.	.	H	α-helix	trans	-70.6	-27.2	178.1	-143.9	-56.7	0	0	0	112.7	H597 L598 R603 T604	H597-H601 WeakPolarHBondContact O-CB 3.42Å; H597-H601 PolarHBondContact O-N 3.35Å; L598-H601 PolarHBondContact O-N 3.28Å; H601-R603 PolarHBondContact O-N 3.2Å; H601-R603 VanDerWaalsContact O-N 3.12Å; H601-T604 PolarHBondContact O-N 3.03Å; H601-T604 PolarHBondContact O-OG1 3.4Å
602	Q	31.3	Very low	40	Very low	112 Å²	112	101.3 Å²	101.3	52%	0.523	50%	0.5	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	12.2	165.2	-75.6	175.1	-0.1	0	0	113.7	L598 V600 W606	L598-Q602 WeakPolarHBondContact O-CB 3.49Å; L598-Q602 WeakPolarHBondContact O-CG 3.36Å; L598-Q602 PolarHBondContact O-N 3.02Å; V600-Q602 VanDerWaalsContact C-N 3.31Å; V600-Q602 PolarHBondContact O-N 3.42Å; Q602-W606 WeakPolarHBondContact O-CZ2 3.49Å; Q602-W606 PolarHBondContact O-NE1 2.85Å
603	R	32.7	Very low	41.7	Very low	181 Å²	181	103.5 Å²	103.5	68%	0.683	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114	-12.3	170.8	-69.9	175.5	177.4	-170.3	0.8	114.5	I599 V600 H601	I599-R603 WeakPolarHBondContact O-CG 3.5Å; V600-R603 WeakPolarHBondContact O-CB 3.38Å; V600-R603 PolarHBondContact O-N 3.27Å; H601-R603 PolarHBondContact O-N 3.2Å; H601-R603 VanDerWaalsContact O-N 3.12Å
604	T	33.1	Very low	43.2	Very low	104 Å²	104	104.9 Å²	104.9	64%	0.638	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.8	-15	-174.7	45.5	0	0	0	0	114.8	H601	H601-T604 PolarHBondContact O-N 3.03Å; H601-T604 PolarHBondContact O-OG1 3.4Å
605	I	40.5	Very low	44.8	Very low	138 Å²	138	101.8 Å²	101.8	71%	0.708	50%	0.503	S	S	*	.			trans	-116.5	72	175.7	-45.2	-179.3	0	0	0	110.5
606	W	32.7	Very low	45.7	Very low	121 Å²	121	97.9 Å²	97.9	46%	0.458	49%	0.492	S	S	.	.			trans	-117.7	120	165.9	-64.7	92.1	0	0	0	108.5	T548 Q602 R608	T548-W606 WeakPolarHBondContact O-CZ3 3.48Å; Q602-W606 WeakPolarHBondContact O-CZ2 3.49Å; Q602-W606 PolarHBondContact O-NE1 2.85Å; W606-R608 HydrophobicContact CB-CG 3.88Å; W606-R608 WeakPolarHBondContact O-CB 3.43Å; W606-R608 WeakPolarHBondContact O-CG 3.5Å; W606-R608 PolarHBondContact O-N 3.2Å
607	E	48.7	Very low	46.9	Very low	113 Å²	113	103.4 Å²	103.4	53%	0.528	51%	0.508	S	S	.	.			trans	-63.1	105.3	172.6	-74.6	-150.5	152.3	0	0	110.1	P609	E607-P609 WeakPolarHBondContact O-CD 3.47Å
608	R	49.4	Very low	47.5	Very low	84 Å²	84	99.6 Å²	99.6	32%	0.317	49%	0.494	S	S	.	.			trans	-127.7	67.2	-170.8	-82.9	171.6	68.8	161	-2.1	107.2	W606 Y610 T618 Y619 C620	W606-R608 HydrophobicContact CB-CG 3.88Å; W606-R608 WeakPolarHBondContact O-CB 3.43Å; W606-R608 WeakPolarHBondContact O-CG 3.5Å; W606-R608 PolarHBondContact O-N 3.2Å; R608-Y610 PolarHBondContact O-N 3.46Å; R608-T618 WeakPolarHBondContact CB-OG1 3.45Å; R608-T618 PolarHBondContact NE-O 3.29Å; R608-T618 PolarHBondContact NE-OG1 3.32Å; R608-T618 PolarHBondContact NH2-O 3.3Å; R608-T618 VanDerWaalsContact O-CB 3.23Å; R608-T618 WeakPolarHBondContact O-CB 3.26Å; R608-Y619 CarbonylContact C-O 3.5Å; R608-Y619 WeakPolarHBondContact CA-O 3.38Å; R608-Y619 PolarHBondContact O-N 3.23Å; R608-Y619 VanDerWaalsContact O-O 3.07Å; R608-C620 HydrophobicContact CG-CB 4.34Å
609	P	49.5	Very low	48.8	Very low	100 Å²	100	96.8 Å²	96.8	65%	0.649	48%	0.477	S	S	*	.	B	Isolated β-bridge	trans	-69.3	10.3	-157.2	30.1	-39.6	0	0	0	116.5	E607	E607-P609 WeakPolarHBondContact O-CD 3.47Å
610	Y	57.7	Low	49.3	Very low	95 Å²	95	96 Å²	96	37%	0.373	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	87.4	172.8	-58.4	-73.3	0	0	0	108.5	R608 T618 Y619 K622	R608-Y610 PolarHBondContact O-N 3.46Å; Y610-T618 CarbonylContact O-C 3.58Å; Y610-Y619 WeakPolarHBondContact CB-O 3.49Å; Y610-Y619 WeakPolarHBondContact CD2-O 3.46Å; Y610-Y619 PolarHBondContact N-O 2.9Å; Y610-Y619 VanDerWaalsContact N-O 3.09Å; Y610-Y619 PolarHBondContact O-N 2.94Å; Y610-K622 HydrophobicContact CD1-CB 3.75Å; Y610-K622 HydrophobicContact CD1-CG 4.09Å; Y610-K622 HydrophobicContact CD2-CB 4.43Å; Y610-K622 HydrophobicContact CE1-CB 3.68Å; Y610-K622 HydrophobicContact CE1-CD 4.46Å; Y610-K622 HydrophobicContact CE1-CG 4.24Å; Y610-K622 HydrophobicContact CE2-CB 4.35Å; Y610-K622 VanDerWaalsContact CE2-N 3.3Å; Y610-K622 HydrophobicContact CG-CB 4.12Å
611	E	56.6	Low	50.3	Low	109 Å²	109	98 Å²	98	51%	0.509	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	146.9	-178.4	-166.2	167.3	159.8	0	0	113.3	T618 L625	E611-T618 HydrophobicContact CB-CG2 4.38Å; E611-T618 HydrophobicContact CG-CG2 4.07Å; E611-L625 WeakPolarHBondContact O-CD1 3.42Å; E611-L625 VanDerWaalsContact O-CD2 3.25Å; E611-L625 WeakPolarHBondContact O-CD2 3.5Å
612	C	67.6	Low	51.6	Low	0 Å²	0	99.8 Å²	99.8	0%	0	48%	0.482	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	99.9	173.9	-161.4	0	0	0	0	109.5	E614 C615 G616 R617 L625 H628 H632	C612-E614 PolarHBondContact O-N 3.01Å; C612-C615 PolarHBondContact O-N 2.98Å; C612-G616 PolarHBondContact O-N 3.11Å; C612-R617 HydrophobicContact CB-CB 4.34Å; C612-R617 WeakPolarHBondContact CB-O 3.36Å; C612-R617 PolarHBondContact N-O 3.43Å; C612-L625 HydrophobicContact CB-CD1 3.52Å; C612-H628 VanDerWaalsContact SG-CD2 3.53Å; C612-H632 PolarHBondContact SG-CD2 2.8Å; C612-H632 PolarHBondContact SG-NE2 3.45Å; C612-H632 VanDerWaalsContact SG-NE2 3.43Å
613	N	70.9	Confident	53.2	Low	152 Å²	152	98.7 Å²	98.7	81%	0.813	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.9	-28.1	-176.3	-56.6	10.4	0	0	0	113.8
614	E	66.4	Low	54.6	Low	105 Å²	105	91.6 Å²	91.6	49%	0.491	47%	0.467	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-17.5	-177.9	-63.7	153.5	118.9	0	0	114.2	C612 H632	C612-E614 PolarHBondContact O-N 3.01Å; E614-H632 WeakPolarHBondContact OE1-CB 3.44Å; E614-H632 IonicContact OE2-CD2 3.86Å; E614-H632 PolarHBondContact OE2-CD2 2.94Å; E614-H632 VanDerWaalsContact OE2-CD2 3.28Å; E614-H632 IonicContact OE2-CG 3.47Å
615	C	68.3	Low	56.3	Low	54 Å²	54	87.4 Å²	87.4	37%	0.365	44%	0.441	S	S	.	.	T	Hydrogen-bonded Turn	trans	-156.5	17.9	-176.2	80.2	0	0	0	0	115.8	C612 R617 H628 H632	C612-C615 PolarHBondContact O-N 2.98Å; C615-R617 PolarHBondContact O-N 2.99Å; C615-R617 VanDerWaalsContact SG-CG 3.55Å; C615-H628 PolarHBondContact SG-NE2 2.88Å; C615-H632 VanDerWaalsContact SG-CE1 3.54Å; C615-H632 PolarHBondContact SG-NE2 2.96Å
616	G	53.9	Low	57.9	Low	43 Å²	43	83.5 Å²	83.5	44%	0.443	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.3	6.5	179.3	0	0	0	0	0	115.7	C612 T618	C612-G616 PolarHBondContact O-N 3.11Å; G616-T618 PolarHBondContact O-N 2.85Å; G616-T618 VanDerWaalsContact O-N 3.08Å
617	R	57.5	Low	59.8	Low	150 Å²	150	80.3 Å²	80.3	57%	0.566	41%	0.413	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.9	105.2	-178.6	-76.1	-177.8	176.9	-176.8	3.5	109.8	C612 C615 Y619	C612-R617 HydrophobicContact CB-CB 4.34Å; C612-R617 WeakPolarHBondContact CB-O 3.36Å; C612-R617 PolarHBondContact N-O 3.43Å; C615-R617 PolarHBondContact O-N 2.99Å; C615-R617 VanDerWaalsContact SG-CG 3.55Å; R617-Y619 HydrophobicContact CB-CE2 3.73Å; R617-Y619 WeakPolarHBondContact O-CD2 3.41Å; R617-Y619 WeakPolarHBondContact O-CE2 3.37Å
618	T	47.2	Very low	61	Low	45 Å²	45	75.3 Å²	75.3	28%	0.276	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	151.4	174.3	58.4	0	0	0	0	111.6	R608 Y610 E611 G616	R608-T618 WeakPolarHBondContact CB-OG1 3.45Å; R608-T618 PolarHBondContact NE-O 3.29Å; R608-T618 PolarHBondContact NE-OG1 3.32Å; R608-T618 PolarHBondContact NH2-O 3.3Å; R608-T618 VanDerWaalsContact O-CB 3.23Å; R608-T618 WeakPolarHBondContact O-CB 3.26Å; Y610-T618 CarbonylContact O-C 3.58Å; E611-T618 HydrophobicContact CB-CG2 4.38Å; E611-T618 HydrophobicContact CG-CG2 4.07Å; G616-T618 PolarHBondContact O-N 2.85Å; G616-T618 VanDerWaalsContact O-N 3.08Å
619	Y	59.3	Low	62.1	Low	39 Å²	39	74.3 Å²	74.3	15%	0.153	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	145.3	173.8	-71.6	-91.9	0	0	0	113.9	R608 Y610 R617 R621 A624 L625 H628	R608-Y619 CarbonylContact C-O 3.5Å; R608-Y619 WeakPolarHBondContact CA-O 3.38Å; R608-Y619 PolarHBondContact O-N 3.23Å; R608-Y619 VanDerWaalsContact O-O 3.07Å; Y610-Y619 WeakPolarHBondContact CB-O 3.49Å; Y610-Y619 WeakPolarHBondContact CD2-O 3.46Å; Y610-Y619 PolarHBondContact N-O 2.9Å; Y610-Y619 VanDerWaalsContact N-O 3.09Å; Y610-Y619 PolarHBondContact O-N 2.94Å; R617-Y619 HydrophobicContact CB-CE2 3.73Å; R617-Y619 WeakPolarHBondContact O-CD2 3.41Å; R617-Y619 WeakPolarHBondContact O-CE2 3.37Å; Y619-R621 VanDerWaalsContact C-N 3.3Å; Y619-R621 PolarHBondContact O-N 3.4Å; Y619-A624 HydrophobicContact CD1-CB 3.67Å; Y619-A624 HydrophobicContact CG-CB 4.25Å; Y619-L625 HydrophobicContact CD2-CB 4.07Å; Y619-L625 HydrophobicContact CD2-CD1 4.01Å; Y619-L625 HydrophobicContact CG-CB 4.21Å; Y619-H628 HydrophobicContact CE1-CB 4.17Å; Y619-H628 HydrophobicContact CE2-CB 3.82Å; Y619-H628 AromaticContact CE2-CD2 3.24Å; Y619-H628 WeakPolarHBondContact CE2-CD2 3.46Å; Y619-H628 AromaticContact CE2-CG 3.73Å; Y619-H628 AromaticContact CZ-CD2 3.54Å; Y619-H628 AromaticContact CZ-CG 3.58Å; Y619-H628 PolarHBondContact OH-CD2 3.27Å; Y619-H628 VanDerWaalsContact OH-CD2 3.23Å
620	C	46.2	Very low	63.6	Low	75 Å²	75	72.2 Å²	72.2	51%	0.507	37%	0.368	S	S	.	.	S	Bend	trans	-78.5	-5.8	179.6	63.2	0	0	0	0	114.8	R608	R608-C620 HydrophobicContact CG-CB 4.34Å
621	R	54.6	Low	64.3	Low	138 Å²	138	71.6 Å²	71.6	52%	0.521	37%	0.374	S	S	.	.	S	Bend	trans	-147.3	138.7	177.2	-59.5	-175.3	-174	106.4	3.6	110.2	Y619 S623 A624 L625	Y619-R621 VanDerWaalsContact C-N 3.3Å; Y619-R621 PolarHBondContact O-N 3.4Å; R621-S623 VanDerWaalsContact C-N 3.25Å; R621-S623 PolarHBondContact O-N 3.5Å; R621-A624 HydrophobicContact CB-CB 4.44Å; R621-A624 WeakPolarHBondContact O-CB 3.47Å; R621-A624 PolarHBondContact O-N 3.11Å; R621-L625 PolarHBondContact O-N 3.4Å
622	K	60.5	Low	65	Low	137 Å²	137	69.8 Å²	69.8	60%	0.596	37%	0.365	S	S	*	.	H	α-helix	trans	-55.2	-40	178.7	-168.8	171.9	-179.8	175.2	0	112.4	Y610 A624 L625 T626	Y610-K622 HydrophobicContact CD1-CB 3.75Å; Y610-K622 HydrophobicContact CD1-CG 4.09Å; Y610-K622 HydrophobicContact CD2-CB 4.43Å; Y610-K622 HydrophobicContact CE1-CB 3.68Å; Y610-K622 HydrophobicContact CE1-CD 4.46Å; Y610-K622 HydrophobicContact CE1-CG 4.24Å; Y610-K622 HydrophobicContact CE2-CB 4.35Å; Y610-K622 VanDerWaalsContact CE2-N 3.3Å; Y610-K622 HydrophobicContact CG-CB 4.12Å; K622-A624 PolarHBondContact O-N 2.91Å; K622-L625 WeakPolarHBondContact O-CB 3.38Å; K622-L625 PolarHBondContact O-N 3.27Å; K622-T626 PolarHBondContact O-N 2.98Å; K622-T626 PolarHBondContact O-OG1 3.36Å; K622-T626 VanDerWaalsContact O-OG1 3.1Å
623	S	63	Low	65.3	Low	89 Å²	89	73.4 Å²	73.4	62%	0.622	39%	0.387	S	S	*	.	H	α-helix	trans	-64.1	-24.8	177.1	52.4	0	0	0	0	114.5	R621 H627	R621-S623 VanDerWaalsContact C-N 3.25Å; R621-S623 PolarHBondContact O-N 3.5Å; S623-H627 PolarHBondContact O-N 3.28Å; S623-H627 VanDerWaalsContact O-N 3.15Å
624	A	63.6	Low	65.4	Low	33 Å²	33	68.5 Å²	68.5	27%	0.273	37%	0.373	S	S	.	.	H	α-helix	trans	-80.3	-37.1	174.6	0	0	0	0	0	111.5	Y619 R621 K622 H628	Y619-A624 HydrophobicContact CD1-CB 3.67Å; Y619-A624 HydrophobicContact CG-CB 4.25Å; R621-A624 HydrophobicContact CB-CB 4.44Å; R621-A624 WeakPolarHBondContact O-CB 3.47Å; R621-A624 PolarHBondContact O-N 3.11Å; K622-A624 PolarHBondContact O-N 2.91Å; A624-H628 WeakPolarHBondContact O-CB 3.33Å; A624-H628 PolarHBondContact O-N 2.96Å
625	L	68.9	Low	65.6	Low	16 Å²	16	68 Å²	68	8%	0.084	37%	0.371	C	S	.	.	H	α-helix	trans	-60.6	-53.3	167.6	172.2	64.1	0	0	0	110.9	E611 C612 Y619 R621 K622 H627 H628 Q629	E611-L625 WeakPolarHBondContact O-CD1 3.42Å; E611-L625 VanDerWaalsContact O-CD2 3.25Å; E611-L625 WeakPolarHBondContact O-CD2 3.5Å; C612-L625 HydrophobicContact CB-CD1 3.52Å; Y619-L625 HydrophobicContact CD2-CB 4.07Å; Y619-L625 HydrophobicContact CD2-CD1 4.01Å; Y619-L625 HydrophobicContact CG-CB 4.21Å; R621-L625 PolarHBondContact O-N 3.4Å; K622-L625 WeakPolarHBondContact O-CB 3.38Å; K622-L625 PolarHBondContact O-N 3.27Å; L625-H627 PolarHBondContact O-N 3.05Å; L625-H628 CarbonylContact O-C 3.47Å; L625-H628 WeakPolarHBondContact O-CA 3.31Å; L625-H628 WeakPolarHBondContact O-CB 3.25Å; L625-H628 PolarHBondContact O-N 3.24Å; L625-Q629 HydrophobicContact CD1-CG 3.85Å; L625-Q629 HydrophobicContact CG-CG 4.16Å; L625-Q629 WeakPolarHBondContact O-CG 3.14Å; L625-Q629 PolarHBondContact O-N 3.47Å
626	T	73.8	Confident	66.1	Low	55 Å²	55	72.1 Å²	72.1	34%	0.337	38%	0.379	S	S	.	.	H	α-helix	trans	-62.1	-30.1	-178	-56.6	0	0	0	0	112.8	K622	K622-T626 PolarHBondContact O-N 2.98Å; K622-T626 PolarHBondContact O-OG1 3.36Å; K622-T626 VanDerWaalsContact O-OG1 3.1Å
627	H	72.4	Confident	67.2	Low	54 Å²	54	73.6 Å²	73.6	25%	0.25	38%	0.38	C	S	.	.	H	α-helix	trans	-69.3	-44	167.5	167.3	43.2	0	0	0	111.8	S623 L625 R630 Q649	S623-H627 PolarHBondContact O-N 3.28Å; S623-H627 VanDerWaalsContact O-N 3.15Å; L625-H627 PolarHBondContact O-N 3.05Å; H627-R630 WeakPolarHBondContact O-CB 3.39Å; H627-R630 PolarHBondContact O-N 3.24Å; H627-Q649 PolarHBondContact CD2-NE2 3.02Å; H627-Q649 VanDerWaalsContact CD2-NE2 3.27Å; H627-Q649 VanDerWaalsContact CE1-CG 3.41Å; H627-Q649 WeakPolarHBondContact CE1-CG 3.42Å; H627-Q649 PolarHBondContact CE1-NE2 2.8Å; H627-Q649 WeakPolarHBondContact ND1-CG 3.42Å; H627-Q649 PolarHBondContact NE2-NE2 3Å
628	H	73.8	Confident	68.4	Low	9 Å²	9	69.9 Å²	69.9	4%	0.042	37%	0.367	C	S	.	.	H	α-helix	trans	-64.3	-38.6	179.4	173.8	39.8	0	0	0	113.7	C612 C615 Y619 A624 L625 R630 T631 H632	C612-H628 VanDerWaalsContact SG-CD2 3.53Å; C615-H628 PolarHBondContact SG-NE2 2.88Å; Y619-H628 HydrophobicContact CE1-CB 4.17Å; Y619-H628 HydrophobicContact CE2-CB 3.82Å; Y619-H628 AromaticContact CE2-CD2 3.24Å; Y619-H628 WeakPolarHBondContact CE2-CD2 3.46Å; Y619-H628 AromaticContact CE2-CG 3.73Å; Y619-H628 AromaticContact CZ-CD2 3.54Å; Y619-H628 AromaticContact CZ-CG 3.58Å; Y619-H628 PolarHBondContact OH-CD2 3.27Å; Y619-H628 VanDerWaalsContact OH-CD2 3.23Å; A624-H628 WeakPolarHBondContact O-CB 3.33Å; A624-H628 PolarHBondContact O-N 2.96Å; L625-H628 CarbonylContact O-C 3.47Å; L625-H628 WeakPolarHBondContact O-CA 3.31Å; L625-H628 WeakPolarHBondContact O-CB 3.25Å; L625-H628 PolarHBondContact O-N 3.24Å; H628-R630 PolarHBondContact O-N 3.06Å; H628-T631 PolarHBondContact CE1-OG1 3.22Å; H628-T631 VanDerWaalsContact CE1-OG1 3.25Å; H628-T631 PolarHBondContact ND1-OG1 3.44Å; H628-T631 WeakPolarHBondContact O-CB 3.31Å; H628-T631 PolarHBondContact O-N 3.35Å; H628-T631 PolarHBondContact O-OG1 3.17Å; H628-H632 AromaticContact CE1-CE1 3.51Å; H628-H632 AromaticContact CE1-NE2 3.22Å; H628-H632 PolarHBondContact CE1-NE2 3.21Å; H628-H632 AromaticContact NE2-CE1 3.81Å; H628-H632 AromaticContact NE2-NE2 3.16Å; H628-H632 PolarHBondContact NE2-NE2 2.66Å; H628-H632 VanDerWaalsContact NE2-NE2 3.16Å
629	Q	73.6	Confident	70.1	Confident	62 Å²	62	73 Å²	73	29%	0.29	38%	0.379	S	S	.	.	H	α-helix	trans	-55.2	-30.2	178.5	-70.2	173.7	-70.1	0	0	112	L625 T631 H632 T633	L625-Q629 HydrophobicContact CD1-CG 3.85Å; L625-Q629 HydrophobicContact CG-CG 4.16Å; L625-Q629 WeakPolarHBondContact O-CG 3.14Å; L625-Q629 PolarHBondContact O-N 3.47Å; Q629-T631 PolarHBondContact O-N 3.2Å; Q629-H632 PolarHBondContact O-N 3.32Å; Q629-T633 PolarHBondContact O-N 2.87Å
630	R	80.6	Confident	71.2	Confident	56 Å²	56	71.2 Å²	71.2	21%	0.211	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-13.4	172.3	-58.5	-165.5	172.6	128.7	8.4	115.8	H627 H628 H632 G634 E635 C648	H627-R630 WeakPolarHBondContact O-CB 3.39Å; H627-R630 PolarHBondContact O-N 3.24Å; H628-R630 PolarHBondContact O-N 3.06Å; R630-H632 VanDerWaalsContact C-N 3.29Å; R630-G634 PolarHBondContact O-N 2.79Å; R630-E635 HydrophobicContact CB-CB 3.95Å; R630-E635 WeakPolarHBondContact CB-O 3.12Å; R630-E635 HydrophobicContact CG-CB 3.7Å; R630-E635 IonicContact CZ-OE2 3.57Å; R630-E635 IonicContact NE-OE2 2.75Å; R630-E635 PolarHBondContact NE-OE2 2.76Å; R630-E635 IonicContact NH2-OE2 3.13Å; R630-C648 HydrophobicContact CB-CB 4.21Å; R630-C648 PolarHBondContact NH1-O 2.97Å
631	T	72.2	Confident	72.9	Confident	82 Å²	82	75.1 Å²	75.1	50%	0.503	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-15.6	170.5	69.1	0	0	0	0	112.4	H628 Q629	H628-T631 PolarHBondContact CE1-OG1 3.22Å; H628-T631 VanDerWaalsContact CE1-OG1 3.25Å; H628-T631 PolarHBondContact ND1-OG1 3.44Å; H628-T631 WeakPolarHBondContact O-CB 3.31Å; H628-T631 PolarHBondContact O-N 3.35Å; H628-T631 PolarHBondContact O-OG1 3.17Å; Q629-T631 PolarHBondContact O-N 3.2Å
632	H	71.9	Confident	74.1	Confident	71 Å²	71	73.8 Å²	73.8	33%	0.329	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.4	-49.1	175.3	-52	-48.5	0	0	0	110.7	C612 E614 C615 H628 Q629 R630 G634	C612-H632 PolarHBondContact SG-CD2 2.8Å; C612-H632 PolarHBondContact SG-NE2 3.45Å; C612-H632 VanDerWaalsContact SG-NE2 3.43Å; E614-H632 WeakPolarHBondContact OE1-CB 3.44Å; E614-H632 IonicContact OE2-CD2 3.86Å; E614-H632 PolarHBondContact OE2-CD2 2.94Å; E614-H632 VanDerWaalsContact OE2-CD2 3.28Å; E614-H632 IonicContact OE2-CG 3.47Å; C615-H632 VanDerWaalsContact SG-CE1 3.54Å; C615-H632 PolarHBondContact SG-NE2 2.96Å; H628-H632 AromaticContact CE1-CE1 3.51Å; H628-H632 AromaticContact CE1-NE2 3.22Å; H628-H632 PolarHBondContact CE1-NE2 3.21Å; H628-H632 AromaticContact NE2-CE1 3.81Å; H628-H632 AromaticContact NE2-NE2 3.16Å; H628-H632 PolarHBondContact NE2-NE2 2.66Å; H628-H632 VanDerWaalsContact NE2-NE2 3.16Å; Q629-H632 PolarHBondContact O-N 3.32Å; R630-H632 VanDerWaalsContact C-N 3.29Å; H632-G634 PolarHBondContact O-N 3.33Å
633	T	72	Confident	75.2	Confident	76 Å²	76	69.5 Å²	69.5	47%	0.466	37%	0.374	S	S	.	.	S	Bend	trans	-72.3	-7.7	178.1	67.9	0	0	0	0	114.2	Q629 E635	Q629-T633 PolarHBondContact O-N 2.87Å; T633-E635 PolarHBondContact O-N 3.23Å; T633-E635 VanDerWaalsContact O-N 3.1Å; T633-E635 WeakPolarHBondContact OG1-CG 3.46Å; T633-E635 PolarHBondContact OG1-OE1 2.97Å
634	G	73	Confident	75.8	Confident	50 Å²	50	67.4 Å²	67.4	52%	0.515	37%	0.366	S	S	.	.			trans	69.4	-0.3	-177	0	0	0	0	0	115.1	R630 H632 R636	R630-G634 PolarHBondContact O-N 2.79Å; H632-G634 PolarHBondContact O-N 3.33Å; G634-R636 WeakPolarHBondContact O-CG 3.5Å; G634-R636 PolarHBondContact O-N 3.32Å
635	E	72.2	Confident	76.6	Confident	94 Å²	94	71 Å²	71	44%	0.439	38%	0.376	S	S	.	.			trans	-52.7	120.7	-179.1	-90.1	178.1	-131.1	0	0	112.8	R630 T633 P637	R630-E635 HydrophobicContact CB-CB 3.95Å; R630-E635 WeakPolarHBondContact CB-O 3.12Å; R630-E635 HydrophobicContact CG-CB 3.7Å; R630-E635 IonicContact CZ-OE2 3.57Å; R630-E635 IonicContact NE-OE2 2.75Å; R630-E635 PolarHBondContact NE-OE2 2.76Å; R630-E635 IonicContact NH2-OE2 3.13Å; T633-E635 PolarHBondContact O-N 3.23Å; T633-E635 VanDerWaalsContact O-N 3.1Å; T633-E635 WeakPolarHBondContact OG1-CG 3.46Å; T633-E635 PolarHBondContact OG1-OE1 2.97Å; E635-P637 HydrophobicContact CB-CG 4.35Å
636	R	78.5	Confident	77	Confident	141 Å²	141	72.2 Å²	72.2	53%	0.532	38%	0.384	S	S	.	.			trans	-128.8	68.2	176.8	-68.9	163.6	78.3	144.8	2.1	110.9	G634 Y638 T646 F647 C648	G634-R636 WeakPolarHBondContact O-CG 3.5Å; G634-R636 PolarHBondContact O-N 3.32Å; R636-Y638 PolarHBondContact O-N 2.93Å; R636-T646 WeakPolarHBondContact CB-OG1 3.14Å; R636-T646 WeakPolarHBondContact CD-OG1 3.47Å; R636-T646 VanDerWaalsContact CZ-O 3.26Å; R636-T646 PolarHBondContact NE-O 3.47Å; R636-T646 PolarHBondContact NE-OG1 2.85Å; R636-T646 PolarHBondContact NH2-O 3.26Å; R636-F647 CarbonylContact C-O 3.25Å; R636-F647 VanDerWaalsContact CA-O 3.27Å; R636-F647 WeakPolarHBondContact CA-O 3.38Å; R636-C648 HydrophobicContact CG-CB 4.37Å
637	P	77.3	Confident	77.2	Confident	73 Å²	73	71.5 Å²	71.5	47%	0.474	38%	0.376	S	S	.	.			trans	-74	18.1	-164.4	-15.9	33.1	0	0	0	115.9	E635	E635-P637 HydrophobicContact CB-CG 4.35Å
638	Y	82.1	Confident	77.2	Confident	72 Å²	72	70.7 Å²	70.7	28%	0.282	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	94.6	-179.2	-59.1	-82.6	0	0	0	108	R636 T646 F647 K650 F653	R636-Y638 PolarHBondContact O-N 2.93Å; Y638-T646 CarbonylContact O-C 3.36Å; Y638-T646 WeakPolarHBondContact O-CA 3.27Å; Y638-F647 WeakPolarHBondContact CD2-O 3.46Å; Y638-F647 PolarHBondContact N-O 3.31Å; Y638-F647 PolarHBondContact O-N 3.12Å; Y638-K650 HydrophobicContact CD1-CB 3.99Å; Y638-K650 HydrophobicContact CD1-CG 4.07Å; Y638-K650 HydrophobicContact CE1-CB 3.53Å; Y638-K650 HydrophobicContact CE1-CD 3.96Å; Y638-K650 HydrophobicContact CE1-CG 3.76Å; Y638-K650 HydrophobicContact CE2-CB 4.23Å; Y638-F653 HydrophobicContact CD1-CD1 4.41Å; Y638-F653 HydrophobicContact CG-CB 4.37Å
639	E	81.8	Confident	77.2	Confident	112 Å²	112	73.7 Å²	73.7	52%	0.523	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	141.3	-179.3	-174.1	165.5	171.3	0	0	111.7	T646 F653	E639-T646 HydrophobicContact CB-CG2 4.05Å; E639-T646 HydrophobicContact CG-CG2 3.88Å; E639-F653 WeakPolarHBondContact O-CE2 3.45Å
640	C	83.9	Confident	77.3	Confident	1 Å²	1	76.9 Å²	76.9	1%	0.007	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	100.7	173.1	-172.4	0	0	0	0	110.6	E642 C643 G644 K645 F653 H656 H660	C640-E642 PolarHBondContact O-N 2.76Å; C640-C643 PolarHBondContact O-N 3.12Å; C640-G644 PolarHBondContact O-N 3.21Å; C640-K645 WeakPolarHBondContact CB-O 3.4Å; C640-K645 PolarHBondContact N-O 3.33Å; C640-F653 HydrophobicContact CB-CE2 4.14Å; C640-H656 PolarHBondContact SG-NE2 2.79Å; C640-H660 PolarHBondContact SG-CD2 3.05Å
641	N	81.8	Confident	77	Confident	156 Å²	156	80.1 Å²	80.1	83%	0.834	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.3	-24.6	178.3	-56	12.9	0	0	0	113.5
642	E	79.6	Confident	77.1	Confident	111 Å²	111	78.3 Å²	78.3	52%	0.519	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-18.6	-177.7	-60.3	166.4	123.1	0	0	113.5	C640 H660	C640-E642 PolarHBondContact O-N 2.76Å; E642-H660 WeakPolarHBondContact OE2-CB 3.43Å; E642-H660 IonicContact OE2-CD2 3.18Å; E642-H660 PolarHBondContact OE2-CD2 3.49Å; E642-H660 IonicContact OE2-CG 3.59Å
643	C	83	Confident	77.4	Confident	46 Å²	46	76.3 Å²	76.3	31%	0.311	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-155	19.5	177	75.3	0	0	0	0	116.8	C640 K645 H656 H660	C640-C643 PolarHBondContact O-N 3.12Å; C643-K645 PolarHBondContact O-N 2.94Å; C643-K645 VanDerWaalsContact SG-CD 3.54Å; C643-H656 PolarHBondContact SG-NE2 3.48Å; C643-H656 VanDerWaalsContact SG-NE2 3.35Å; C643-H660 WeakPolarHBondContact CB-NE2 3.18Å; C643-H660 PolarHBondContact SG-NE2 2.99Å
644	G	76.5	Confident	77.6	Confident	45 Å²	45	75.2 Å²	75.2	46%	0.464	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.3	7.3	176.2	0	0	0	0	0	115.7	C640 T646	C640-G644 PolarHBondContact O-N 3.21Å; G644-T646 PolarHBondContact O-N 2.84Å
645	K	79.8	Confident	77.7	Confident	110 Å²	110	74.5 Å²	74.5	48%	0.478	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	120.2	-177.9	-72.2	175.4	-166.7	151.4	0	110.5	C640 C643 F647	C640-K645 WeakPolarHBondContact CB-O 3.4Å; C640-K645 PolarHBondContact N-O 3.33Å; C643-K645 PolarHBondContact O-N 2.94Å; C643-K645 VanDerWaalsContact SG-CD 3.54Å; K645-F647 HydrophobicContact CB-CE2 3.68Å; K645-F647 HydrophobicContact CB-CZ 4.02Å; K645-F647 WeakPolarHBondContact O-CD2 3.43Å; K645-F647 WeakPolarHBondContact O-CE2 3.2Å
646	T	76.6	Confident	78.1	Confident	41 Å²	41	70.9 Å²	70.9	25%	0.252	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	146.2	179.9	62.4	0	0	0	0	111.8	R636 Y638 E639 G644	R636-T646 WeakPolarHBondContact CB-OG1 3.14Å; R636-T646 WeakPolarHBondContact CD-OG1 3.47Å; R636-T646 VanDerWaalsContact CZ-O 3.26Å; R636-T646 PolarHBondContact NE-O 3.47Å; R636-T646 PolarHBondContact NE-OG1 2.85Å; R636-T646 PolarHBondContact NH2-O 3.26Å; Y638-T646 CarbonylContact O-C 3.36Å; Y638-T646 WeakPolarHBondContact O-CA 3.27Å; E639-T646 HydrophobicContact CB-CG2 4.05Å; E639-T646 HydrophobicContact CG-CG2 3.88Å; G644-T646 PolarHBondContact O-N 2.84Å
647	F	79.8	Confident	78	Confident	40 Å²	40	67.4 Å²	67.4	18%	0.175	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	144.5	-176.3	-62.4	-96.1	0	0	0	112.5	R636 Y638 K645 F653 H656	R636-F647 CarbonylContact C-O 3.25Å; R636-F647 VanDerWaalsContact CA-O 3.27Å; R636-F647 WeakPolarHBondContact CA-O 3.38Å; Y638-F647 WeakPolarHBondContact CD2-O 3.46Å; Y638-F647 PolarHBondContact N-O 3.31Å; Y638-F647 PolarHBondContact O-N 3.12Å; K645-F647 HydrophobicContact CB-CE2 3.68Å; K645-F647 HydrophobicContact CB-CZ 4.02Å; K645-F647 WeakPolarHBondContact O-CD2 3.43Å; K645-F647 WeakPolarHBondContact O-CE2 3.2Å; F647-F653 HydrophobicContact CB-CB 4.11Å; F647-F653 HydrophobicContact CD2-CB 4.26Å; F647-F653 HydrophobicContact CD2-CD2 4.15Å; F647-F653 HydrophobicContact CG-CB 4.25Å; F647-H656 HydrophobicContact CE1-CB 4.02Å; F647-H656 HydrophobicContact CE2-CB 4Å; F647-H656 AromaticContact CE2-CD2 3.16Å; F647-H656 WeakPolarHBondContact CE2-CD2 3.47Å; F647-H656 AromaticContact CE2-CG 3.74Å; F647-H656 AromaticContact CE2-NE2 3.99Å; F647-H656 HydrophobicContact CZ-CB 3.53Å; F647-H656 AromaticContact CZ-CD2 3.3Å; F647-H656 WeakPolarHBondContact CZ-CD2 3.45Å; F647-H656 AromaticContact CZ-CG 3.39Å
648	C	72.4	Confident	78.2	Confident	37 Å²	37	65.8 Å²	65.8	25%	0.25	33%	0.333	C	S	.	.	S	Bend	trans	-83.6	-8.9	177.9	53	0	0	0	0	114.2	R630 R636	R630-C648 HydrophobicContact CB-CB 4.21Å; R630-C648 PolarHBondContact NH1-O 2.97Å; R636-C648 HydrophobicContact CG-CB 4.37Å
649	Q	72.8	Confident	78	Confident	71 Å²	71	66 Å²	66	33%	0.332	34%	0.342	S	S	.	.	S	Bend	trans	-132.2	139.8	175.3	-62.9	-169.6	26.1	0	0	112.4	H627 F651 S652 F653	H627-Q649 PolarHBondContact CD2-NE2 3.02Å; H627-Q649 VanDerWaalsContact CD2-NE2 3.27Å; H627-Q649 VanDerWaalsContact CE1-CG 3.41Å; H627-Q649 WeakPolarHBondContact CE1-CG 3.42Å; H627-Q649 PolarHBondContact CE1-NE2 2.8Å; H627-Q649 WeakPolarHBondContact ND1-CG 3.42Å; H627-Q649 PolarHBondContact NE2-NE2 3Å; Q649-F651 VanDerWaalsContact C-N 3.25Å; Q649-F651 PolarHBondContact O-N 3.47Å; Q649-S652 PolarHBondContact O-N 3.11Å; Q649-F653 PolarHBondContact O-N 3.33Å; Q649-F653 VanDerWaalsContact O-N 3.15Å
650	K	75.4	Confident	77.8	Confident	130 Å²	130	64.8 Å²	64.8	57%	0.565	34%	0.336	S	S	*	.	H	α-helix	trans	-59.7	-32.7	171.3	-166.5	167.6	-176.6	167.7	0	113.3	Y638 V654	Y638-K650 HydrophobicContact CD1-CB 3.99Å; Y638-K650 HydrophobicContact CD1-CG 4.07Å; Y638-K650 HydrophobicContact CE1-CB 3.53Å; Y638-K650 HydrophobicContact CE1-CD 3.96Å; Y638-K650 HydrophobicContact CE1-CG 3.76Å; Y638-K650 HydrophobicContact CE2-CB 4.23Å; K650-V654 HydrophobicContact CG-CG2 4.39Å; K650-V654 WeakPolarHBondContact O-CG2 3.28Å; K650-V654 PolarHBondContact O-N 3.35Å
651	F	73.9	Confident	77.4	Confident	124 Å²	124	68.5 Å²	68.5	54%	0.544	36%	0.359	S	S	.	.	H	α-helix	trans	-66.6	-49	179.6	177.8	-100.6	0	0	0	111.7	Q649 F653 V654 E655	Q649-F651 VanDerWaalsContact C-N 3.25Å; Q649-F651 PolarHBondContact O-N 3.47Å; F651-F653 VanDerWaalsContact C-N 3.29Å; F651-F653 PolarHBondContact O-N 2.95Å; F651-V654 PolarHBondContact O-N 2.9Å; F651-E655 VanDerWaalsContact CE1-CD 3.44Å; F651-E655 HydrophobicContact CE1-CG 3.99Å; F651-E655 WeakPolarHBondContact CE1-OE2 3.3Å; F651-E655 HydrophobicContact CE2-CG 4.19Å; F651-E655 HydrophobicContact CZ-CG 3.77Å; F651-E655 WeakPolarHBondContact CZ-OE1 3.28Å; F651-E655 PolarHBondContact O-N 3.14Å
652	S	74.9	Confident	77.1	Confident	43 Å²	43	63.2 Å²	63.2	30%	0.301	34%	0.341	S	S	.	.	H	α-helix	trans	-63.3	-35.5	176.8	-51.9	0	0	0	0	112.6	Q649 H656	Q649-S652 PolarHBondContact O-N 3.11Å; S652-H656 WeakPolarHBondContact O-CB 3.26Å; S652-H656 PolarHBondContact O-N 2.83Å
653	F	78.1	Confident	76.9	Confident	30 Å²	30	62.6 Å²	62.6	13%	0.132	34%	0.339	C	S	.	.	H	α-helix	trans	-60.8	-50.4	171	170.8	-112.7	0	0	0	112.2	Y638 E639 C640 F647 Q649 F651 E655 H656 Q657	Y638-F653 HydrophobicContact CD1-CD1 4.41Å; Y638-F653 HydrophobicContact CG-CB 4.37Å; E639-F653 WeakPolarHBondContact O-CE2 3.45Å; C640-F653 HydrophobicContact CB-CE2 4.14Å; F647-F653 HydrophobicContact CB-CB 4.11Å; F647-F653 HydrophobicContact CD2-CB 4.26Å; F647-F653 HydrophobicContact CD2-CD2 4.15Å; F647-F653 HydrophobicContact CG-CB 4.25Å; Q649-F653 PolarHBondContact O-N 3.33Å; Q649-F653 VanDerWaalsContact O-N 3.15Å; F651-F653 VanDerWaalsContact C-N 3.29Å; F651-F653 PolarHBondContact O-N 2.95Å; F653-E655 PolarHBondContact O-N 2.82Å; F653-H656 CarbonylContact O-C 3.54Å; F653-H656 WeakPolarHBondContact O-CA 3.44Å; F653-H656 WeakPolarHBondContact O-CB 3.37Å; F653-H656 PolarHBondContact O-N 3.37Å; F653-Q657 HydrophobicContact CD2-CG 4.37Å; F653-Q657 HydrophobicContact CE1-CG 4.32Å; F653-Q657 HydrophobicContact CE2-CG 3.92Å; F653-Q657 HydrophobicContact CZ-CG 3.9Å; F653-Q657 PolarHBondContact O-N 2.99Å
654	V	76.9	Confident	76.7	Confident	52 Å²	52	66.5 Å²	66.5	32%	0.315	35%	0.35	S	S	.	.	H	α-helix	trans	-67.5	-34.1	179.3	171.5	0	0	0	0	112.5	K650 F651 H656	K650-V654 HydrophobicContact CG-CG2 4.39Å; K650-V654 WeakPolarHBondContact O-CG2 3.28Å; K650-V654 PolarHBondContact O-N 3.35Å; F651-V654 PolarHBondContact O-N 2.9Å; V654-H656 VanDerWaalsContact C-N 3.31Å
655	E	74.4	Confident	76.5	Confident	35 Å²	35	67.5 Å²	67.5	16%	0.164	35%	0.348	C	S	.	.	H	α-helix	trans	-66.2	-33.9	169.4	-75.4	-161.4	134.5	0	0	111.9	F651 F653 H677	F651-E655 VanDerWaalsContact CE1-CD 3.44Å; F651-E655 HydrophobicContact CE1-CG 3.99Å; F651-E655 WeakPolarHBondContact CE1-OE2 3.3Å; F651-E655 HydrophobicContact CE2-CG 4.19Å; F651-E655 HydrophobicContact CZ-CG 3.77Å; F651-E655 WeakPolarHBondContact CZ-OE1 3.28Å; F651-E655 PolarHBondContact O-N 3.14Å; F653-E655 PolarHBondContact O-N 2.82Å; E655-H677 IonicContact OE1-CD2 3.54Å
656	H	79.9	Confident	76.6	Confident	19 Å²	19	64.7 Å²	64.7	9%	0.088	34%	0.335	C	S	.	.	H	α-helix	trans	-71.4	-40.2	175.8	170.8	46.3	0	0	0	113.6	C640 C643 F647 S652 F653 V654 R658 T659 H660	C640-H656 PolarHBondContact SG-NE2 2.79Å; C643-H656 PolarHBondContact SG-NE2 3.48Å; C643-H656 VanDerWaalsContact SG-NE2 3.35Å; F647-H656 HydrophobicContact CE1-CB 4.02Å; F647-H656 HydrophobicContact CE2-CB 4Å; F647-H656 AromaticContact CE2-CD2 3.16Å; F647-H656 WeakPolarHBondContact CE2-CD2 3.47Å; F647-H656 AromaticContact CE2-CG 3.74Å; F647-H656 AromaticContact CE2-NE2 3.99Å; F647-H656 HydrophobicContact CZ-CB 3.53Å; F647-H656 AromaticContact CZ-CD2 3.3Å; F647-H656 WeakPolarHBondContact CZ-CD2 3.45Å; F647-H656 AromaticContact CZ-CG 3.39Å; S652-H656 WeakPolarHBondContact O-CB 3.26Å; S652-H656 PolarHBondContact O-N 2.83Å; F653-H656 CarbonylContact O-C 3.54Å; F653-H656 WeakPolarHBondContact O-CA 3.44Å; F653-H656 WeakPolarHBondContact O-CB 3.37Å; F653-H656 PolarHBondContact O-N 3.37Å; V654-H656 VanDerWaalsContact C-N 3.31Å; H656-R658 PolarHBondContact O-N 3.49Å; H656-R658 VanDerWaalsContact O-N 3.1Å; H656-T659 PolarHBondContact CE1-OG1 3.45Å; H656-T659 PolarHBondContact ND1-OG1 3.5Å; H656-T659 WeakPolarHBondContact O-CB 3.3Å; H656-T659 PolarHBondContact O-N 2.73Å; H656-T659 PolarHBondContact O-OG1 3.1Å; H656-H660 AromaticContact CE1-CD2 3.97Å
657	Q	77.1	Confident	76.7	Confident	68 Å²	68	68.1 Å²	68.1	32%	0.318	35%	0.349	S	S	.	.	H	α-helix	trans	-55.2	-32.3	177.8	-69.8	-175.4	-79.1	0	0	112.4	F653 T659 H660 T661	F653-Q657 HydrophobicContact CD2-CG 4.37Å; F653-Q657 HydrophobicContact CE1-CG 4.32Å; F653-Q657 HydrophobicContact CE2-CG 3.92Å; F653-Q657 HydrophobicContact CZ-CG 3.9Å; F653-Q657 PolarHBondContact O-N 2.99Å; Q657-T659 PolarHBondContact O-N 3.44Å; Q657-T659 VanDerWaalsContact O-N 3.14Å; Q657-H660 PolarHBondContact O-N 3.19Å; Q657-T661 PolarHBondContact O-N 3.12Å
658	R	81.7	Confident	76.9	Confident	38 Å²	38	66.3 Å²	66.3	14%	0.143	34%	0.341	C	S	.	.	H	α-helix	trans	-63.6	-15.8	173.5	-59.5	-171.9	-179.6	135.5	11.3	114.9	H656 H660 G662 E663 C676	H656-R658 PolarHBondContact O-N 3.49Å; H656-R658 VanDerWaalsContact O-N 3.1Å; R658-H660 VanDerWaalsContact C-N 3.28Å; R658-G662 WeakPolarHBondContact O-CA 3.32Å; R658-G662 PolarHBondContact O-N 2.95Å; R658-G662 VanDerWaalsContact O-N 3.13Å; R658-E663 HydrophobicContact CB-CB 4.01Å; R658-E663 HydrophobicContact CG-CB 3.77Å; R658-E663 IonicContact NE-OE2 2.9Å; R658-E663 PolarHBondContact NE-OE2 3.06Å; R658-C676 HydrophobicContact CB-CB 4.38Å; R658-C676 PolarHBondContact NH1-O 3.44Å; R658-C676 VanDerWaalsContact NH1-O 3.12Å
659	T	77.4	Confident	77.3	Confident	78 Å²	78	72 Å²	72	48%	0.479	37%	0.369	S	S	.	.	H	α-helix	trans	-76.4	-18.4	172.2	67.2	0	0	0	0	112.5	H656 Q657	H656-T659 PolarHBondContact CE1-OG1 3.45Å; H656-T659 PolarHBondContact ND1-OG1 3.5Å; H656-T659 WeakPolarHBondContact O-CB 3.3Å; H656-T659 PolarHBondContact O-N 2.73Å; H656-T659 PolarHBondContact O-OG1 3.1Å; Q657-T659 PolarHBondContact O-N 3.44Å; Q657-T659 VanDerWaalsContact O-N 3.14Å
660	H	78.3	Confident	77.7	Confident	85 Å²	85	73.7 Å²	73.7	39%	0.394	38%	0.376	S	S	.	.	H	α-helix	trans	-96.7	-49.1	173.4	-56.7	-53.3	0	0	0	111.3	C640 E642 C643 H656 Q657 R658 G662	C640-H660 PolarHBondContact SG-CD2 3.05Å; E642-H660 WeakPolarHBondContact OE2-CB 3.43Å; E642-H660 IonicContact OE2-CD2 3.18Å; E642-H660 PolarHBondContact OE2-CD2 3.49Å; E642-H660 IonicContact OE2-CG 3.59Å; C643-H660 WeakPolarHBondContact CB-NE2 3.18Å; C643-H660 PolarHBondContact SG-NE2 2.99Å; H656-H660 AromaticContact CE1-CD2 3.97Å; Q657-H660 PolarHBondContact O-N 3.19Å; R658-H660 VanDerWaalsContact C-N 3.28Å; H660-G662 PolarHBondContact O-N 3.3Å
661	T	75.3	Confident	78.1	Confident	79 Å²	79	69.7 Å²	69.7	49%	0.485	36%	0.364	S	S	.	.	H	α-helix	trans	-72.8	-8.9	179	68.4	0	0	0	0	114.1	Q657 E663	Q657-T661 PolarHBondContact O-N 3.12Å; T661-E663 PolarHBondContact O-N 3.24Å; T661-E663 VanDerWaalsContact O-N 3.14Å; T661-E663 WeakPolarHBondContact OG1-CG 3.43Å
662	G	75.9	Confident	78.3	Confident	45 Å²	45	66.1 Å²	66.1	46%	0.464	36%	0.362	S	S	.	.			trans	70.7	1	-178.6	0	0	0	0	0	115.1	R658 H660 K664	R658-G662 WeakPolarHBondContact O-CA 3.32Å; R658-G662 PolarHBondContact O-N 2.95Å; R658-G662 VanDerWaalsContact O-N 3.13Å; H660-G662 PolarHBondContact O-N 3.3Å; G662-K664 PolarHBondContact O-N 2.72Å
663	E	74.8	Confident	78.6	Confident	99 Å²	99	70 Å²	70	46%	0.463	37%	0.374	S	S	.	.			trans	-52	127.5	-177.5	-91.3	-179.3	-137.8	0	0	113.2	R658 T661 P665 C676	R658-E663 HydrophobicContact CB-CB 4.01Å; R658-E663 HydrophobicContact CG-CB 3.77Å; R658-E663 IonicContact NE-OE2 2.9Å; R658-E663 PolarHBondContact NE-OE2 3.06Å; T661-E663 PolarHBondContact O-N 3.24Å; T661-E663 VanDerWaalsContact O-N 3.14Å; T661-E663 WeakPolarHBondContact OG1-CG 3.43Å; E663-P665 HydrophobicContact CB-CG 4.38Å; E663-C676 WeakPolarHBondContact O-CB 3.27Å
664	K	79.3	Confident	78.8	Confident	128 Å²	128	70.4 Å²	70.4	56%	0.557	38%	0.381	S	S	*	.			trans	-125.8	69	176.9	-70.5	158.5	-172.8	170.3	0	111.7	G662 Y666 F675	G662-K664 PolarHBondContact O-N 2.72Å; K664-Y666 PolarHBondContact O-N 3.39Å; K664-F675 CarbonylContact C-O 3.17Å; K664-F675 VanDerWaalsContact C-O 3.25Å; K664-F675 WeakPolarHBondContact CA-O 3.47Å
665	P	72.6	Confident	78.8	Confident	65 Å²	65	70.2 Å²	70.2	42%	0.422	38%	0.376	S	S	.	.			trans	-72.9	8.2	-169.4	-17.1	33.7	0	0	0	115.7	E663	E663-P665 HydrophobicContact CB-CG 4.38Å
666	Y	80.9	Confident	78.7	Confident	52 Å²	52	70.3 Å²	70.3	20%	0.204	38%	0.38	C	S	.	.	B	Isolated β-bridge	trans	-123	78.9	-179.8	-52.5	-60	0	0	0	109.9	K664 S674 F675 C676 H677 K678 F681	K664-Y666 PolarHBondContact O-N 3.39Å; Y666-S674 WeakPolarHBondContact O-CA 3.01Å; Y666-F675 WeakPolarHBondContact CB-O 3.38Å; Y666-F675 WeakPolarHBondContact CD2-O 3.45Å; Y666-F675 PolarHBondContact N-O 2.92Å; Y666-F675 PolarHBondContact O-N 3.4Å; Y666-C676 WeakPolarHBondContact CE2-O 3.39Å; Y666-H677 VanDerWaalsContact CD2-C 3.45Å; Y666-K678 HydrophobicContact CD1-CB 4.47Å; Y666-K678 HydrophobicContact CD1-CG 4.46Å; Y666-K678 HydrophobicContact CD2-CB 4.11Å; Y666-K678 HydrophobicContact CE1-CB 4.17Å; Y666-K678 HydrophobicContact CE1-CD 4.11Å; Y666-K678 HydrophobicContact CE1-CG 4.25Å; Y666-K678 HydrophobicContact CE2-CB 3.75Å; Y666-K678 VanDerWaalsContact CE2-N 3.32Å; Y666-K678 HydrophobicContact CG-CB 4.46Å; Y666-F681 HydrophobicContact CG-CB 4.48Å
667	E	79.8	Confident	78.3	Confident	113 Å²	113	72.3 Å²	72.3	53%	0.528	39%	0.389	S	S	.	.			trans	-74.6	149.7	173.5	-174.9	162.5	165.8	0	0	112.3	S674 F681	E667-S674 WeakPolarHBondContact CA-OG 3.28Å; E667-S674 WeakPolarHBondContact CB-OG 3.44Å; E667-S674 VanDerWaalsContact CG-OG 3.32Å; E667-S674 WeakPolarHBondContact CG-OG 3.48Å; E667-F681 WeakPolarHBondContact O-CE2 3.31Å; E667-F681 WeakPolarHBondContact O-CZ 3.32Å
668	C	83.1	Confident	78.1	Confident	1 Å²	1	75 Å²	75	1%	0.007	40%	0.4	C	S	.	.			trans	-106.1	101.2	171.8	-174.4	0	0	0	0	110.5	E670 C671 G672 K673 F681 H684	C668-E670 PolarHBondContact O-N 3.21Å; C668-C671 PolarHBondContact O-N 3.42Å; C668-G672 PolarHBondContact O-N 2.85Å; C668-K673 WeakPolarHBondContact CB-O 3.26Å; C668-K673 PolarHBondContact N-O 3.09Å; C668-F681 HydrophobicContact CB-CD2 4.39Å; C668-F681 HydrophobicContact CB-CE2 3.87Å; C668-H684 PolarHBondContact SG-NE2 3.38Å
669	N	81.8	Confident	77.6	Confident	157 Å²	157	76.9 Å²	76.9	84%	0.84	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	-19.4	178.2	-53.1	39.2	0	0	0	113.9
670	E	79.5	Confident	77.4	Confident	106 Å²	106	75 Å²	75	50%	0.495	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-15.2	-179.4	-61.2	160.2	135	0	0	113	C668 R685 H688	C668-E670 PolarHBondContact O-N 3.21Å; E670-R685 WeakPolarHBondContact OE2-CG 3.27Å; E670-H688 IonicContact OE2-CD2 3.33Å; E670-H688 PolarHBondContact OE2-CD2 2.91Å; E670-H688 VanDerWaalsContact OE2-CD2 3.24Å; E670-H688 IonicContact OE2-CG 3.89Å
671	C	83.8	Confident	77.4	Confident	46 Å²	46	72.5 Å²	72.5	31%	0.311	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-158.1	15.7	178.5	71.9	0	0	0	0	116.9	C668 K673 H684 H688	C668-C671 PolarHBondContact O-N 3.42Å; C671-K673 PolarHBondContact O-N 3.09Å; C671-K673 VanDerWaalsContact O-N 3.09Å; C671-H684 VanDerWaalsContact SG-CE1 3.59Å; C671-H684 PolarHBondContact SG-NE2 3.49Å; C671-H688 WeakPolarHBondContact CB-NE2 3.17Å; C671-H688 PolarHBondContact SG-NE2 3.16Å
672	G	78.5	Confident	77.4	Confident	49 Å²	49	76.1 Å²	76.1	51%	0.505	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.3	6.2	178.2	0	0	0	0	0	115.8	C668 S674	C668-G672 PolarHBondContact O-N 2.85Å; G672-S674 PolarHBondContact O-N 2.94Å
673	K	81.4	Confident	77.3	Confident	125 Å²	125	75.8 Å²	75.8	54%	0.543	39%	0.393	S	S	.	.			trans	-84	114.2	-175.8	-73.1	176.5	-177.3	170.8	0	111.2	C668 C671 F675	C668-K673 WeakPolarHBondContact CB-O 3.26Å; C668-K673 PolarHBondContact N-O 3.09Å; C671-K673 PolarHBondContact O-N 3.09Å; C671-K673 VanDerWaalsContact O-N 3.09Å; K673-F675 HydrophobicContact CB-CE2 3.96Å; K673-F675 HydrophobicContact CB-CZ 4.15Å; K673-F675 WeakPolarHBondContact O-CD2 3.49Å; K673-F675 WeakPolarHBondContact O-CE2 3.43Å
674	S	81.7	Confident	77.6	Confident	39 Å²	39	72 Å²	72	27%	0.273	38%	0.375	S	S	.	.			trans	-103.8	137.1	-176.3	-53.8	0	0	0	0	113.2	Y666 E667 G672	Y666-S674 WeakPolarHBondContact O-CA 3.01Å; E667-S674 WeakPolarHBondContact CA-OG 3.28Å; E667-S674 WeakPolarHBondContact CB-OG 3.44Å; E667-S674 VanDerWaalsContact CG-OG 3.32Å; E667-S674 WeakPolarHBondContact CG-OG 3.48Å; G672-S674 PolarHBondContact O-N 2.94Å
675	F	78.7	Confident	77.5	Confident	48 Å²	48	70.6 Å²	70.6	21%	0.211	37%	0.366	C	S	.	.	B	Isolated β-bridge	trans	-122.1	143	-173.6	-59	-92	0	0	0	112.1	K664 Y666 K673 A680 F681 H684	K664-F675 CarbonylContact C-O 3.17Å; K664-F675 VanDerWaalsContact C-O 3.25Å; K664-F675 WeakPolarHBondContact CA-O 3.47Å; Y666-F675 WeakPolarHBondContact CB-O 3.38Å; Y666-F675 WeakPolarHBondContact CD2-O 3.45Å; Y666-F675 PolarHBondContact N-O 2.92Å; Y666-F675 PolarHBondContact O-N 3.4Å; K673-F675 HydrophobicContact CB-CE2 3.96Å; K673-F675 HydrophobicContact CB-CZ 4.15Å; K673-F675 WeakPolarHBondContact O-CD2 3.49Å; K673-F675 WeakPolarHBondContact O-CE2 3.43Å; F675-A680 HydrophobicContact CB-CB 4.42Å; F675-A680 HydrophobicContact CD1-CB 3.88Å; F675-A680 HydrophobicContact CG-CB 4.39Å; F675-F681 HydrophobicContact CB-CB 4.2Å; F675-F681 HydrophobicContact CD2-CB 4.07Å; F675-F681 HydrophobicContact CD2-CD2 4.08Å; F675-F681 HydrophobicContact CE2-CD2 4.48Å; F675-F681 HydrophobicContact CG-CB 4.3Å; F675-H684 HydrophobicContact CE1-CB 4.17Å; F675-H684 HydrophobicContact CE2-CB 3.8Å; F675-H684 AromaticContact CE2-CD2 3.31Å; F675-H684 WeakPolarHBondContact CE2-CD2 3.46Å; F675-H684 AromaticContact CE2-CG 3.46Å; F675-H684 VanDerWaalsContact CE2-CG 3.46Å; F675-H684 AromaticContact CE2-NE2 3.91Å; F675-H684 HydrophobicContact CZ-CB 3.52Å; F675-H684 AromaticContact CZ-CD2 3.64Å; F675-H684 AromaticContact CZ-CG 3.28Å; F675-H684 AromaticContact CZ-ND1 3.64Å
676	C	71.3	Confident	77.9	Confident	37 Å²	37	69.2 Å²	69.2	25%	0.25	35%	0.352	C	S	.	.	S	Bend	trans	-71.4	-30.9	172.5	52.6	0	0	0	0	113.3	R658 E663 Y666	R658-C676 HydrophobicContact CB-CB 4.38Å; R658-C676 PolarHBondContact NH1-O 3.44Å; R658-C676 VanDerWaalsContact NH1-O 3.12Å; E663-C676 WeakPolarHBondContact O-CB 3.27Å; Y666-C676 WeakPolarHBondContact CE2-O 3.39Å
677	H	70.9	Confident	77.9	Confident	60 Å²	60	70.8 Å²	70.8	28%	0.278	36%	0.363	S	S	.	.	S	Bend	trans	-114	133.8	-174.7	-58	159.4	0	0	0	112.7	E655 Y666 S679 A680 F681	E655-H677 IonicContact OE1-CD2 3.54Å; Y666-H677 VanDerWaalsContact CD2-C 3.45Å; H677-S679 PolarHBondContact O-N 3.23Å; H677-A680 HydrophobicContact CB-CB 4.32Å; H677-A680 PolarHBondContact O-N 3.18Å; H677-F681 PolarHBondContact O-N 3.05Å
678	K	72.9	Confident	77.8	Confident	126 Å²	126	69.9 Å²	69.9	55%	0.548	36%	0.359	S	S	.	.	H	α-helix	trans	-67.2	-25.1	-178.9	-168.7	165	-177	166.2	0	113.4	Y666 R682	Y666-K678 HydrophobicContact CD1-CB 4.47Å; Y666-K678 HydrophobicContact CD1-CG 4.46Å; Y666-K678 HydrophobicContact CD2-CB 4.11Å; Y666-K678 HydrophobicContact CE1-CB 4.17Å; Y666-K678 HydrophobicContact CE1-CD 4.11Å; Y666-K678 HydrophobicContact CE1-CG 4.25Å; Y666-K678 HydrophobicContact CE2-CB 3.75Å; Y666-K678 VanDerWaalsContact CE2-N 3.32Å; Y666-K678 HydrophobicContact CG-CB 4.46Å; K678-R682 WeakPolarHBondContact O-CB 3.41Å; K678-R682 PolarHBondContact O-N 3.33Å; K678-R682 VanDerWaalsContact O-N 3.11Å
679	S	70.9	Confident	77.3	Confident	76 Å²	76	73 Å²	73	53%	0.531	38%	0.378	S	S	.	.	H	α-helix	trans	-68.3	-46.6	174.1	51.1	0	0	0	0	111.7	H677 R682 V683	H677-S679 PolarHBondContact O-N 3.23Å; S679-R682 PolarHBondContact O-N 2.96Å; S679-V683 WeakPolarHBondContact O-CG2 3.4Å; S679-V683 PolarHBondContact O-N 3.35Å; S679-V683 VanDerWaalsContact O-N 3.09Å
680	A	74.8	Confident	77	Confident	38 Å²	38	67.5 Å²	67.5	31%	0.314	36%	0.358	S	S	.	.	H	α-helix	trans	-60.9	-48.8	176	0	0	0	0	0	111	F675 H677 R682 V683 H684	F675-A680 HydrophobicContact CB-CB 4.42Å; F675-A680 HydrophobicContact CD1-CB 3.88Å; F675-A680 HydrophobicContact CG-CB 4.39Å; H677-A680 HydrophobicContact CB-CB 4.32Å; H677-A680 PolarHBondContact O-N 3.18Å; A680-R682 PolarHBondContact O-N 2.87Å; A680-V683 PolarHBondContact O-N 3.1Å; A680-V683 VanDerWaalsContact O-N 3.16Å; A680-H684 WeakPolarHBondContact O-CB 3.48Å; A680-H684 PolarHBondContact O-N 3.2Å
681	F	77.6	Confident	76.6	Confident	34 Å²	34	66.4 Å²	66.4	15%	0.149	35%	0.353	C	S	.	.	H	α-helix	trans	-56.2	-46.2	175.3	173.8	-123	0	0	0	113.1	Y666 E667 C668 F675 H677 V683 H684 R685	Y666-F681 HydrophobicContact CG-CB 4.48Å; E667-F681 WeakPolarHBondContact O-CE2 3.31Å; E667-F681 WeakPolarHBondContact O-CZ 3.32Å; C668-F681 HydrophobicContact CB-CD2 4.39Å; C668-F681 HydrophobicContact CB-CE2 3.87Å; F675-F681 HydrophobicContact CB-CB 4.2Å; F675-F681 HydrophobicContact CD2-CB 4.07Å; F675-F681 HydrophobicContact CD2-CD2 4.08Å; F675-F681 HydrophobicContact CE2-CD2 4.48Å; F675-F681 HydrophobicContact CG-CB 4.3Å; H677-F681 PolarHBondContact O-N 3.05Å; F681-V683 VanDerWaalsContact C-N 3.32Å; F681-V683 PolarHBondContact O-N 3.02Å; F681-H684 PolarHBondContact O-N 3.28Å; F681-R685 PolarHBondContact O-N 2.95Å
682	R	75.8	Confident	76.3	Confident	155 Å²	155	69.6 Å²	69.6	59%	0.585	36%	0.362	S	S	*	.	H	α-helix	trans	-60.4	-40.7	176.8	-178.7	-173.6	-72.9	168.6	-5.9	112.3	K678 S679 A680	K678-R682 WeakPolarHBondContact O-CB 3.41Å; K678-R682 PolarHBondContact O-N 3.33Å; K678-R682 VanDerWaalsContact O-N 3.11Å; S679-R682 PolarHBondContact O-N 2.96Å; A680-R682 PolarHBondContact O-N 2.87Å
683	V	73.3	Confident	75.9	Confident	38 Å²	38	70.6 Å²	70.6	23%	0.23	36%	0.359	C	S	.	.	H	α-helix	trans	-73.8	-31.1	179	171.9	0	0	0	0	111.6	S679 A680 F681 R705	S679-V683 WeakPolarHBondContact O-CG2 3.4Å; S679-V683 PolarHBondContact O-N 3.35Å; S679-V683 VanDerWaalsContact O-N 3.09Å; A680-V683 PolarHBondContact O-N 3.1Å; A680-V683 VanDerWaalsContact O-N 3.16Å; F681-V683 VanDerWaalsContact C-N 3.32Å; F681-V683 PolarHBondContact O-N 3.02Å; V683-R705 HydrophobicContact CG1-CG 3.82Å; V683-R705 VanDerWaalsContact CG1-NE 3.31Å
684	H	80.9	Confident	75.6	Confident	20 Å²	20	68 Å²	68	9%	0.093	35%	0.347	C	S	.	.	H	α-helix	trans	-67.4	-46.1	173.4	168.8	70.5	0	0	0	112.1	C668 C671 F675 A680 F681 R686 I687	C668-H684 PolarHBondContact SG-NE2 3.38Å; C671-H684 VanDerWaalsContact SG-CE1 3.59Å; C671-H684 PolarHBondContact SG-NE2 3.49Å; F675-H684 HydrophobicContact CE1-CB 4.17Å; F675-H684 HydrophobicContact CE2-CB 3.8Å; F675-H684 AromaticContact CE2-CD2 3.31Å; F675-H684 WeakPolarHBondContact CE2-CD2 3.46Å; F675-H684 AromaticContact CE2-CG 3.46Å; F675-H684 VanDerWaalsContact CE2-CG 3.46Å; F675-H684 AromaticContact CE2-NE2 3.91Å; F675-H684 HydrophobicContact CZ-CB 3.52Å; F675-H684 AromaticContact CZ-CD2 3.64Å; F675-H684 AromaticContact CZ-CG 3.28Å; F675-H684 AromaticContact CZ-ND1 3.64Å; A680-H684 WeakPolarHBondContact O-CB 3.48Å; A680-H684 PolarHBondContact O-N 3.2Å; F681-H684 PolarHBondContact O-N 3.28Å; H684-R686 PolarHBondContact O-N 3.36Å; H684-R686 VanDerWaalsContact O-N 3.08Å; H684-I687 WeakPolarHBondContact O-CB 3.29Å; H684-I687 WeakPolarHBondContact O-CG1 3.16Å; H684-I687 PolarHBondContact O-N 3.08Å
685	R	77.7	Confident	75.1	Confident	98 Å²	98	71.3 Å²	71.3	37%	0.37	36%	0.358	S	S	.	.	H	α-helix	trans	-59.4	-26.3	-178.8	-166.8	173	66.2	-132.8	8.6	114	E670 F681 I687 H688 T689	E670-R685 WeakPolarHBondContact OE2-CG 3.27Å; F681-R685 PolarHBondContact O-N 2.95Å; R685-I687 PolarHBondContact O-N 2.91Å; R685-I687 VanDerWaalsContact O-N 3.1Å; R685-H688 PolarHBondContact O-N 3.34Å; R685-T689 HydrophobicContact CG-CG2 4.27Å; R685-T689 PolarHBondContact O-N 2.95Å
686	R	81.1	Confident	75.1	Confident	35 Å²	35	69 Å²	69	13%	0.132	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-10.6	170.7	-63.5	-170.2	170	152.6	0.7	114.7	H684 G690 E691 R704	H684-R686 PolarHBondContact O-N 3.36Å; H684-R686 VanDerWaalsContact O-N 3.08Å; R686-G690 CarbonylContact O-C 3.07Å; R686-G690 PolarHBondContact O-N 2.96Å; R686-E691 HydrophobicContact CB-CB 3.99Å; R686-E691 HydrophobicContact CG-CB 3.75Å; R686-E691 IonicContact CZ-OE2 2.67Å; R686-E691 IonicContact NE-OE2 3.94Å; R686-E691 PolarHBondContact NE-OE2 3.19Å; R686-R704 VanDerWaalsContact C-NE 3.3Å; R686-R704 HydrophobicContact CB-CG 3.65Å; R686-R704 PolarHBondContact NH1-O 2.95Å; R686-R704 VanDerWaalsContact NH1-O 3.07Å; R686-R704 PolarHBondContact O-NE 3.34Å; R686-R704 PolarHBondContact O-NH2 3.1Å
687	I	80.2	Confident	75.4	Confident	86 Å²	86	74.6 Å²	74.6	44%	0.441	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-52.4	168.3	-63.2	173.9	0	0	0	108.7	H684 R685	H684-I687 WeakPolarHBondContact O-CB 3.29Å; H684-I687 WeakPolarHBondContact O-CG1 3.16Å; H684-I687 PolarHBondContact O-N 3.08Å; R685-I687 PolarHBondContact O-N 2.91Å; R685-I687 VanDerWaalsContact O-N 3.1Å
688	H	78.2	Confident	75.6	Confident	93 Å²	93	77.6 Å²	77.6	43%	0.431	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-45.6	-179.4	-50.7	-56.3	0	0	0	112.4	E670 C671 R685 G690	E670-H688 IonicContact OE2-CD2 3.33Å; E670-H688 PolarHBondContact OE2-CD2 2.91Å; E670-H688 VanDerWaalsContact OE2-CD2 3.24Å; E670-H688 IonicContact OE2-CG 3.89Å; C671-H688 WeakPolarHBondContact CB-NE2 3.17Å; C671-H688 PolarHBondContact SG-NE2 3.16Å; R685-H688 PolarHBondContact O-N 3.34Å; H688-G690 PolarHBondContact O-N 3.32Å; H688-G690 VanDerWaalsContact O-N 3.16Å
689	T	72.3	Confident	76	Confident	66 Å²	66	74.1 Å²	74.1	41%	0.405	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	2.4	179.8	68	0	0	0	0	114.5	R685 E691	R685-T689 HydrophobicContact CG-CG2 4.27Å; R685-T689 PolarHBondContact O-N 2.95Å; T689-E691 PolarHBondContact O-N 3.44Å; T689-E691 WeakPolarHBondContact OG1-CG 3.25Å; T689-E691 PolarHBondContact OG1-OE1 2.89Å
690	G	74.9	Confident	76.2	Confident	42 Å²	42	72.4 Å²	72.4	43%	0.433	38%	0.375	S	S	.	.			trans	67.5	-17.6	-178.3	0	0	0	0	0	116.2	R686 H688 K692	R686-G690 CarbonylContact O-C 3.07Å; R686-G690 PolarHBondContact O-N 2.96Å; H688-G690 PolarHBondContact O-N 3.32Å; H688-G690 VanDerWaalsContact O-N 3.16Å; G690-K692 PolarHBondContact O-N 3.5Å
691	E	72.7	Confident	76.4	Confident	83 Å²	83	76.3 Å²	76.3	39%	0.388	39%	0.385	S	S	.	.			trans	-41.5	122.1	-173.6	-83.9	174.2	-122.9	0	0	115	R686 T689 P693	R686-E691 HydrophobicContact CB-CB 3.99Å; R686-E691 HydrophobicContact CG-CB 3.75Å; R686-E691 IonicContact CZ-OE2 2.67Å; R686-E691 IonicContact NE-OE2 3.94Å; R686-E691 PolarHBondContact NE-OE2 3.19Å; T689-E691 PolarHBondContact O-N 3.44Å; T689-E691 WeakPolarHBondContact OG1-CG 3.25Å; T689-E691 PolarHBondContact OG1-OE1 2.89Å; E691-P693 HydrophobicContact CB-CG 4.19Å
692	K	76.8	Confident	76.4	Confident	114 Å²	114	77.4 Å²	77.4	50%	0.496	39%	0.394	S	S	.	.			trans	-125.5	70.2	171.4	-67.7	170.1	178.9	-179.6	0	111.8	G690 Y694 T702 Y703	G690-K692 PolarHBondContact O-N 3.5Å; K692-Y694 PolarHBondContact O-N 2.65Å; K692-T702 WeakPolarHBondContact CD-OG1 3.42Å; K692-Y703 CarbonylContact C-O 3.15Å; K692-Y703 VanDerWaalsContact CA-O 3.25Å; K692-Y703 WeakPolarHBondContact CA-O 3.39Å
693	P	69.5	Low	76.6	Confident	69 Å²	69	72.4 Å²	72.4	45%	0.448	38%	0.376	S	S	.	.			trans	-78.2	14.7	-165	-17.5	35.8	0	0	0	116.2	E691	E691-P693 HydrophobicContact CB-CG 4.19Å
694	Y	75.1	Confident	76.7	Confident	72 Å²	72	74.4 Å²	74.4	28%	0.282	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	103.3	-177.4	-53.9	-72.7	0	0	0	109.1	K692 T702 Y703 L706	K692-Y694 PolarHBondContact O-N 2.65Å; Y694-T702 CarbonylContact O-C 3.59Å; Y694-T702 WeakPolarHBondContact O-CA 3.46Å; Y694-Y703 WeakPolarHBondContact CD2-O 3.47Å; Y694-Y703 PolarHBondContact N-O 3.25Å; Y694-Y703 PolarHBondContact O-N 3.21Å; Y694-L706 HydrophobicContact CD1-CB 4.08Å; Y694-L706 HydrophobicContact CD1-CD1 3.82Å; Y694-L706 HydrophobicContact CE1-CB 3.9Å; Y694-L706 HydrophobicContact CE1-CD1 4.21Å; Y694-L706 HydrophobicContact CE2-CB 4.33Å; Y694-L706 HydrophobicContact CG-CB 4.38Å; Y694-L706 HydrophobicContact CG-CD1 4.44Å
695	E	70.9	Confident	76.3	Confident	108 Å²	108	80.6 Å²	80.6	51%	0.505	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	146.8	-177.4	-168.8	174	149.8	0	0	112	T702 L709	E695-T702 HydrophobicContact CB-CG2 4.05Å; E695-T702 HydrophobicContact CG-CG2 3.86Å; E695-L709 VanDerWaalsContact O-CD2 3.25Å; E695-L709 WeakPolarHBondContact O-CD2 3.36Å
696	C	79.2	Confident	76	Confident	0 Å²	0	80.6 Å²	80.6	0%	0	41%	0.408	C	S	.	.			trans	-90.5	102.8	170.7	-169.8	0	0	0	0	111.1	Q698 C699 G700 K701 Y703 L709 H716	C696-Q698 PolarHBondContact O-N 2.7Å; C696-C699 PolarHBondContact O-N 3.06Å; C696-G700 PolarHBondContact O-N 3.31Å; C696-K701 PolarHBondContact N-O 3.16Å; C696-Y703 HydrophobicContact CB-CE2 4.5Å; C696-L709 HydrophobicContact CB-CD1 3.57Å; C696-H716 PolarHBondContact SG-NE2 2.81Å; C696-H716 VanDerWaalsContact SG-NE2 3.43Å
697	N	77.3	Confident	75.6	Confident	153 Å²	153	86.1 Å²	86.1	82%	0.818	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	-12.1	178.8	-56.6	12.2	0	0	0	115.2
698	Q	75.1	Confident	75.5	Confident	123 Å²	123	84.3 Å²	84.3	58%	0.575	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.6	-12.1	179.6	-70.5	170.1	-25.8	0	0	113.7	C696 H716	C696-Q698 PolarHBondContact O-N 2.7Å; Q698-H716 PolarHBondContact OE1-CD2 2.92Å
699	C	82.1	Confident	75.5	Confident	53 Å²	53	80.5 Å²	80.5	36%	0.358	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-157	12.1	-178.9	71.3	0	0	0	0	115.9	C696 K701 H712	C696-C699 PolarHBondContact O-N 3.06Å; C699-K701 PolarHBondContact O-N 3.37Å; C699-H712 PolarHBondContact SG-NE2 3.32Å
700	G	75.5	Confident	75.7	Confident	41 Å²	41	80.2 Å²	80.2	42%	0.423	40%	0.403	S	S	.	.			trans	67.4	-1.8	178.2	0	0	0	0	0	116	C696 T702	C696-G700 PolarHBondContact O-N 3.31Å; G700-T702 PolarHBondContact O-N 3.03Å
701	K	79.3	Confident	75.8	Confident	120 Å²	120	80.9 Å²	80.9	52%	0.522	40%	0.395	S	S	.	.			trans	-68.6	125.2	-176.7	-70.1	178.4	-178.5	175.2	0	110.9	C696 C699 Y703	C696-K701 PolarHBondContact N-O 3.16Å; C699-K701 PolarHBondContact O-N 3.37Å; K701-Y703 HydrophobicContact CB-CE2 3.73Å; K701-Y703 WeakPolarHBondContact O-CD2 3.41Å; K701-Y703 WeakPolarHBondContact O-CE2 3.32Å
702	T	77.2	Confident	76.1	Confident	57 Å²	57	77.6 Å²	77.6	35%	0.35	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	141	-176	53.8	0	0	0	0	112.7	K692 Y694 E695 G700	K692-T702 WeakPolarHBondContact CD-OG1 3.42Å; Y694-T702 CarbonylContact O-C 3.59Å; Y694-T702 WeakPolarHBondContact O-CA 3.46Å; E695-T702 HydrophobicContact CB-CG2 4.05Å; E695-T702 HydrophobicContact CG-CG2 3.86Å; G700-T702 PolarHBondContact O-N 3.03Å
703	Y	78.7	Confident	76.2	Confident	50 Å²	50	75.6 Å²	75.6	20%	0.196	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	146.2	-171.6	-64.2	-86	0	0	0	113	K692 Y694 C696 K701 L709 H712	K692-Y703 CarbonylContact C-O 3.15Å; K692-Y703 VanDerWaalsContact CA-O 3.25Å; K692-Y703 WeakPolarHBondContact CA-O 3.39Å; Y694-Y703 WeakPolarHBondContact CD2-O 3.47Å; Y694-Y703 PolarHBondContact N-O 3.25Å; Y694-Y703 PolarHBondContact O-N 3.21Å; C696-Y703 HydrophobicContact CB-CE2 4.5Å; K701-Y703 HydrophobicContact CB-CE2 3.73Å; K701-Y703 WeakPolarHBondContact O-CD2 3.41Å; K701-Y703 WeakPolarHBondContact O-CE2 3.32Å; Y703-L709 HydrophobicContact CD2-CB 4.02Å; Y703-L709 HydrophobicContact CD2-CD1 4Å; Y703-L709 HydrophobicContact CE2-CD1 4.25Å; Y703-L709 HydrophobicContact CG-CB 4.3Å; Y703-H712 HydrophobicContact CE1-CB 4.28Å; Y703-H712 HydrophobicContact CE2-CB 4.12Å; Y703-H712 AromaticContact CE2-CD2 3.49Å; Y703-H712 VanDerWaalsContact CE2-CD2 3.49Å; Y703-H712 WeakPolarHBondContact CE2-CD2 3.33Å; Y703-H712 AromaticContact CE2-CG 3.89Å; Y703-H712 AromaticContact CZ-CD2 3.64Å; Y703-H712 AromaticContact CZ-CG 3.59Å; Y703-H712 PolarHBondContact OH-CD2 3.07Å; Y703-H712 VanDerWaalsContact OH-CD2 3.23Å; Y703-H712 PolarHBondContact OH-ND1 2.67Å
704	R	76.6	Confident	76.7	Confident	79 Å²	79	74 Å²	74	30%	0.298	36%	0.358	S	S	.	.	S	Bend	trans	-77.6	-22.1	-179.6	-174.4	171.4	-73.1	142.1	-6.9	113.7	R686	R686-R704 VanDerWaalsContact C-NE 3.3Å; R686-R704 HydrophobicContact CB-CG 3.65Å; R686-R704 PolarHBondContact NH1-O 2.95Å; R686-R704 VanDerWaalsContact NH1-O 3.07Å; R686-R704 PolarHBondContact O-NE 3.34Å; R686-R704 PolarHBondContact O-NH2 3.1Å
705	R	71.8	Confident	76.8	Confident	151 Å²	151	74.6 Å²	74.6	57%	0.57	37%	0.366	S	S	*	.	S	Bend	trans	-130.9	149.1	-178.1	-59.8	177.4	179.8	-175.4	-1.6	110	V683 T708	V683-R705 HydrophobicContact CG1-CG 3.82Å; V683-R705 VanDerWaalsContact CG1-NE 3.31Å; R705-T708 PolarHBondContact O-OG1 3.11Å
706	L	70.7	Confident	77	Confident	97 Å²	97	73.1 Å²	73.1	51%	0.508	36%	0.359	S	S	.	.	H	α-helix	trans	-67.5	-44.2	178.5	-179.4	60	0	0	0	111.9	Y694 T708 L709 T710	Y694-L706 HydrophobicContact CD1-CB 4.08Å; Y694-L706 HydrophobicContact CD1-CD1 3.82Å; Y694-L706 HydrophobicContact CE1-CB 3.9Å; Y694-L706 HydrophobicContact CE1-CD1 4.21Å; Y694-L706 HydrophobicContact CE2-CB 4.33Å; Y694-L706 HydrophobicContact CG-CB 4.38Å; Y694-L706 HydrophobicContact CG-CD1 4.44Å; L706-T708 VanDerWaalsContact C-N 3.28Å; L706-T708 PolarHBondContact O-N 3.24Å; L706-L709 HydrophobicContact CD1-CD2 4.47Å; L706-L709 WeakPolarHBondContact O-CA 3.22Å; L706-L709 WeakPolarHBondContact O-CB 3.11Å; L706-L709 PolarHBondContact O-N 3.38Å; L706-T710 PolarHBondContact O-N 3.13Å; L706-T710 PolarHBondContact O-OG1 3.36Å
707	W	74.1	Confident	76.6	Confident	151 Å²	151	76.7 Å²	76.7	57%	0.572	38%	0.38	S	S	*	.	H	α-helix	trans	-55.1	-41.4	178.6	175.1	-87.4	0	0	0	112.7	L709 T710 E711	W707-L709 VanDerWaalsContact C-N 3.26Å; W707-L709 PolarHBondContact O-N 3.2Å; W707-T710 PolarHBondContact O-N 3.5Å; W707-T710 VanDerWaalsContact O-N 3.11Å; W707-E711 PolarHBondContact NE1-OE2 3.21Å; W707-E711 WeakPolarHBondContact O-CB 3.39Å; W707-E711 PolarHBondContact O-N 3.11Å
708	T	77.6	Confident	76.4	Confident	49 Å²	49	71.2 Å²	71.2	30%	0.301	36%	0.36	S	S	.	.	H	α-helix	trans	-67.9	-24.8	178.5	45.7	0	0	0	0	113.2	R705 L706 H712	R705-T708 PolarHBondContact O-OG1 3.11Å; L706-T708 VanDerWaalsContact C-N 3.28Å; L706-T708 PolarHBondContact O-N 3.24Å; T708-H712 VanDerWaalsContact O-CB 3.23Å; T708-H712 WeakPolarHBondContact O-CB 3.47Å; T708-H712 PolarHBondContact O-N 2.94Å; T708-H712 VanDerWaalsContact O-N 3.15Å
709	L	79.2	Confident	76.2	Confident	13 Å²	13	69.6 Å²	69.6	7%	0.068	35%	0.353	C	S	.	.	H	α-helix	trans	-73	-46.2	167.6	170.2	62	0	0	0	110.5	E695 C696 Y703 L706 W707 E711 H712 Q713	E695-L709 VanDerWaalsContact O-CD2 3.25Å; E695-L709 WeakPolarHBondContact O-CD2 3.36Å; C696-L709 HydrophobicContact CB-CD1 3.57Å; Y703-L709 HydrophobicContact CD2-CB 4.02Å; Y703-L709 HydrophobicContact CD2-CD1 4Å; Y703-L709 HydrophobicContact CE2-CD1 4.25Å; Y703-L709 HydrophobicContact CG-CB 4.3Å; L706-L709 HydrophobicContact CD1-CD2 4.47Å; L706-L709 WeakPolarHBondContact O-CA 3.22Å; L706-L709 WeakPolarHBondContact O-CB 3.11Å; L706-L709 PolarHBondContact O-N 3.38Å; W707-L709 VanDerWaalsContact C-N 3.26Å; W707-L709 PolarHBondContact O-N 3.2Å; L709-E711 VanDerWaalsContact C-N 3.32Å; L709-E711 PolarHBondContact O-N 2.87Å; L709-H712 CarbonylContact O-C 3.55Å; L709-H712 WeakPolarHBondContact O-CB 3.46Å; L709-H712 PolarHBondContact O-N 3.44Å; L709-H712 VanDerWaalsContact O-N 3.13Å; L709-Q713 HydrophobicContact CD1-CG 4.06Å; L709-Q713 HydrophobicContact CG-CG 4.42Å; L709-Q713 WeakPolarHBondContact O-CG 3.46Å; L709-Q713 PolarHBondContact O-N 2.9Å
710	T	75.4	Confident	76	Confident	59 Å²	59	72.4 Å²	72.4	36%	0.362	36%	0.359	S	S	.	.	H	α-helix	trans	-61.1	-39	178.4	-50.8	0	0	0	0	112.7	L706 W707 Q713	L706-T710 PolarHBondContact O-N 3.13Å; L706-T710 PolarHBondContact O-OG1 3.36Å; W707-T710 PolarHBondContact O-N 3.5Å; W707-T710 VanDerWaalsContact O-N 3.11Å; T710-Q713 PolarHBondContact O-N 3.19Å
711	E	76.8	Confident	75.9	Confident	57 Å²	57	73.7 Å²	73.7	27%	0.266	36%	0.36	S	S	.	.	H	α-helix	trans	-69.4	-37.2	174.4	-173.6	159.4	-144	0	0	111.6	W707 L709 K714 H733	W707-E711 PolarHBondContact NE1-OE2 3.21Å; W707-E711 WeakPolarHBondContact O-CB 3.39Å; W707-E711 PolarHBondContact O-N 3.11Å; L709-E711 VanDerWaalsContact C-N 3.32Å; L709-E711 PolarHBondContact O-N 2.87Å; E711-K714 PolarHBondContact O-N 3.24Å; E711-H733 IonicContact OE1-CD2 3.7Å; E711-H733 IonicContact OE1-CG 3.86Å
712	H	80.3	Confident	75.9	Confident	14 Å²	14	70.9 Å²	70.9	7%	0.065	35%	0.347	C	S	.	.	H	α-helix	trans	-66.7	-36.2	171.6	172.4	53.8	0	0	0	113.3	C699 Y703 T708 L709 K714 I715 H716	C699-H712 PolarHBondContact SG-NE2 3.32Å; Y703-H712 HydrophobicContact CE1-CB 4.28Å; Y703-H712 HydrophobicContact CE2-CB 4.12Å; Y703-H712 AromaticContact CE2-CD2 3.49Å; Y703-H712 VanDerWaalsContact CE2-CD2 3.49Å; Y703-H712 WeakPolarHBondContact CE2-CD2 3.33Å; Y703-H712 AromaticContact CE2-CG 3.89Å; Y703-H712 AromaticContact CZ-CD2 3.64Å; Y703-H712 AromaticContact CZ-CG 3.59Å; Y703-H712 PolarHBondContact OH-CD2 3.07Å; Y703-H712 VanDerWaalsContact OH-CD2 3.23Å; Y703-H712 PolarHBondContact OH-ND1 2.67Å; T708-H712 VanDerWaalsContact O-CB 3.23Å; T708-H712 WeakPolarHBondContact O-CB 3.47Å; T708-H712 PolarHBondContact O-N 2.94Å; T708-H712 VanDerWaalsContact O-N 3.15Å; L709-H712 CarbonylContact O-C 3.55Å; L709-H712 WeakPolarHBondContact O-CB 3.46Å; L709-H712 PolarHBondContact O-N 3.44Å; L709-H712 VanDerWaalsContact O-N 3.13Å; H712-K714 PolarHBondContact O-N 2.92Å; H712-I715 WeakPolarHBondContact O-CB 3.45Å; H712-I715 WeakPolarHBondContact O-CG1 3.48Å; H712-I715 PolarHBondContact O-N 3.47Å; H712-H716 AromaticContact CD2-NE2 3.93Å; H712-H716 AromaticContact CE1-CE1 3.74Å; H712-H716 AromaticContact CE1-NE2 3.32Å; H712-H716 PolarHBondContact CE1-NE2 2.93Å; H712-H716 VanDerWaalsContact CE1-NE2 3.32Å; H712-H716 AromaticContact NE2-CE1 3.81Å; H712-H716 AromaticContact NE2-NE2 3.04Å; H712-H716 PolarHBondContact NE2-NE2 3.42Å
713	Q	77	Confident	76.2	Confident	72 Å²	72	73.2 Å²	73.2	34%	0.336	35%	0.353	S	S	.	.	H	α-helix	trans	-60.9	-30	179.2	-76.5	170.8	-59.7	0	0	112.5	L709 T710 I715 H716 T717	L709-Q713 HydrophobicContact CD1-CG 4.06Å; L709-Q713 HydrophobicContact CG-CG 4.42Å; L709-Q713 WeakPolarHBondContact O-CG 3.46Å; L709-Q713 PolarHBondContact O-N 2.9Å; T710-Q713 PolarHBondContact O-N 3.19Å; Q713-I715 PolarHBondContact O-N 3.18Å; Q713-I715 VanDerWaalsContact O-N 3.14Å; Q713-H716 PolarHBondContact O-N 2.84Å; Q713-T717 PolarHBondContact O-N 3.35Å; Q713-T717 VanDerWaalsContact O-N 3.07Å; Q713-T717 PolarHBondContact O-OG1 2.8Å
714	K	79.9	Confident	76.5	Confident	34 Å²	34	71 Å²	71	15%	0.148	35%	0.345	C	S	.	.	H	α-helix	trans	-63.7	-13.7	171.9	-62.1	-176.5	173.6	-177.5	0	114.6	E711 H712 T717 G718 E719 R732	E711-K714 PolarHBondContact O-N 3.24Å; H712-K714 PolarHBondContact O-N 2.92Å; K714-T717 WeakPolarHBondContact CA-OG1 3.26Å; K714-G718 PolarHBondContact O-N 3Å; K714-E719 HydrophobicContact CB-CB 4.24Å; K714-E719 HydrophobicContact CD-CB 4.48Å; K714-E719 WeakPolarHBondContact CE-OE2 3.48Å; K714-E719 HydrophobicContact CG-CB 4.15Å; K714-R732 HydrophobicContact CB-CG 3.97Å; K714-R732 VanDerWaalsContact O-CZ 3.3Å; K714-R732 PolarHBondContact O-NE 3.35Å; K714-R732 PolarHBondContact O-NH2 3.49Å; K714-R732 VanDerWaalsContact O-NH2 3.15Å
715	I	78.1	Confident	76.6	Confident	86 Å²	86	74.6 Å²	74.6	44%	0.441	37%	0.371	S	S	.	.	H	α-helix	trans	-69.2	-42.2	170.8	-57	-174	0	0	0	110	H712 Q713 R732	H712-I715 WeakPolarHBondContact O-CB 3.45Å; H712-I715 WeakPolarHBondContact O-CG1 3.48Å; H712-I715 PolarHBondContact O-N 3.47Å; Q713-I715 PolarHBondContact O-N 3.18Å; Q713-I715 VanDerWaalsContact O-N 3.14Å; I715-R732 PolarHBondContact O-NH2 2.99Å
716	H	76.1	Confident	76.9	Confident	77 Å²	77	74.4 Å²	74.4	36%	0.356	37%	0.374	S	S	.	.	H	α-helix	trans	-83.9	-37.9	-177.5	-49.4	-58.5	0	0	0	113	C696 Q698 H712 Q713 G718	C696-H716 PolarHBondContact SG-NE2 2.81Å; C696-H716 VanDerWaalsContact SG-NE2 3.43Å; Q698-H716 PolarHBondContact OE1-CD2 2.92Å; H712-H716 AromaticContact CD2-NE2 3.93Å; H712-H716 AromaticContact CE1-CE1 3.74Å; H712-H716 AromaticContact CE1-NE2 3.32Å; H712-H716 PolarHBondContact CE1-NE2 2.93Å; H712-H716 VanDerWaalsContact CE1-NE2 3.32Å; H712-H716 AromaticContact NE2-CE1 3.81Å; H712-H716 AromaticContact NE2-NE2 3.04Å; H712-H716 PolarHBondContact NE2-NE2 3.42Å; Q713-H716 PolarHBondContact O-N 2.84Å; H716-G718 PolarHBondContact O-N 3.19Å
717	T	70.9	Confident	77.5	Confident	74 Å²	74	72 Å²	72	45%	0.454	37%	0.365	S	S	.	.	S	Bend	trans	-76.7	-3.5	177.1	61.9	0	0	0	0	113.6	Q713 K714 E719	Q713-T717 PolarHBondContact O-N 3.35Å; Q713-T717 VanDerWaalsContact O-N 3.07Å; Q713-T717 PolarHBondContact O-OG1 2.8Å; K714-T717 WeakPolarHBondContact CA-OG1 3.26Å; T717-E719 WeakPolarHBondContact CB-OE1 3.45Å; T717-E719 PolarHBondContact O-N 3.3Å; T717-E719 VanDerWaalsContact OG1-CD 3.28Å; T717-E719 WeakPolarHBondContact OG1-CG 3.25Å; T717-E719 PolarHBondContact OG1-OE1 2.96Å
718	G	71.6	Confident	77.6	Confident	39 Å²	39	72.3 Å²	72.3	40%	0.402	37%	0.372	S	S	.	.			trans	72.1	-13.8	-178.5	0	0	0	0	0	115.3	K714 H716 K720	K714-G718 PolarHBondContact O-N 3Å; H716-G718 PolarHBondContact O-N 3.19Å; G718-K720 PolarHBondContact O-N 3.11Å
719	E	71.7	Confident	77.8	Confident	88 Å²	88	75.9 Å²	75.9	41%	0.411	38%	0.384	S	S	.	.			trans	-44.1	129.8	-174.2	-78.9	168.5	-118	0	0	114.6	K714 T717 P721	K714-E719 HydrophobicContact CB-CB 4.24Å; K714-E719 HydrophobicContact CD-CB 4.48Å; K714-E719 WeakPolarHBondContact CE-OE2 3.48Å; K714-E719 HydrophobicContact CG-CB 4.15Å; T717-E719 WeakPolarHBondContact CB-OE1 3.45Å; T717-E719 PolarHBondContact O-N 3.3Å; T717-E719 VanDerWaalsContact OG1-CD 3.28Å; T717-E719 WeakPolarHBondContact OG1-CG 3.25Å; T717-E719 PolarHBondContact OG1-OE1 2.96Å; E719-P721 HydrophobicContact CB-CG 4.16Å
720	K	78.1	Confident	77.8	Confident	112 Å²	112	77.8 Å²	77.8	49%	0.487	40%	0.396	S	S	.	.			trans	-127.6	69.7	172.2	-63.4	173.7	179.6	-179.3	0	111.5	G718 Y722 T730 F731	G718-K720 PolarHBondContact O-N 3.11Å; K720-Y722 PolarHBondContact O-N 2.86Å; K720-T730 VanDerWaalsContact CD-OG1 3.22Å; K720-T730 WeakPolarHBondContact CD-OG1 3.3Å; K720-F731 CarbonylContact C-O 3.59Å; K720-F731 WeakPolarHBondContact CA-O 3.49Å
721	P	73.9	Confident	78	Confident	69 Å²	69	77 Å²	77	45%	0.448	39%	0.388	S	S	.	.			trans	-74.6	14.5	-165.6	-17.7	35	0	0	0	116	E719	E719-P721 HydrophobicContact CB-CG 4.16Å
722	Y	79	Confident	78	Confident	61 Å²	61	78 Å²	78	24%	0.239	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	93.3	-177.9	-54.5	-68.1	0	0	0	109.2	K720 F731 K734 F737	K720-Y722 PolarHBondContact O-N 2.86Å; Y722-F731 PolarHBondContact N-O 3.2Å; Y722-F731 WeakPolarHBondContact O-CD2 3.22Å; Y722-F731 PolarHBondContact O-N 2.8Å; Y722-K734 HydrophobicContact CD1-CB 4.39Å; Y722-K734 HydrophobicContact CD1-CG 4.34Å; Y722-K734 HydrophobicContact CD2-CB 4.3Å; Y722-K734 HydrophobicContact CE1-CB 4Å; Y722-K734 HydrophobicContact CE1-CD 4.26Å; Y722-K734 HydrophobicContact CE1-CG 4.07Å; Y722-K734 HydrophobicContact CE2-CB 3.89Å; Y722-F737 HydrophobicContact CG-CB 4.34Å
723	E	81.9	Confident	77.8	Confident	105 Å²	105	80.1 Å²	80.1	49%	0.491	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	147.1	179.8	-169.5	175.6	139.7	0	0	111.5	T730 F737	E723-T730 HydrophobicContact CB-CG2 4.01Å; E723-T730 HydrophobicContact CG-CG2 3.76Å; E723-F737 WeakPolarHBondContact O-CE2 3.33Å
724	C	84.9	Confident	77.9	Confident	4 Å²	4	82.4 Å²	82.4	3%	0.027	41%	0.407	C	S	.	.			trans	-99.4	101.2	174.9	-166.3	0	0	0	0	111.9	K726 C727 E728 K729 F737	C724-K726 PolarHBondContact O-N 3.41Å; C724-C727 PolarHBondContact O-N 2.96Å; C724-E728 WeakPolarHBondContact O-CA 3.36Å; C724-E728 PolarHBondContact O-N 3.11Å; C724-K729 PolarHBondContact N-O 3.15Å; C724-F737 HydrophobicContact CB-CE2 4.31Å
725	N	80.6	Confident	77.9	Confident	155 Å²	155	83.8 Å²	83.8	83%	0.829	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	3.7	176.6	-47.9	51.3	0	0	0	115.7
726	K	76.4	Confident	78.1	Confident	147 Å²	147	83.5 Å²	83.5	64%	0.639	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.7	-20.1	174.3	-86.8	-170.4	160.6	-156.5	0	114.1	C724 H744	C724-K726 PolarHBondContact O-N 3.41Å; K726-H744 HydrophobicContact CD-CB 3.79Å; K726-H744 PolarHBondContact NZ-O 3.24Å
727	C	85.2	Confident	78.3	Confident	47 Å²	47	81.2 Å²	81.2	32%	0.318	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-160.7	23.8	-179.3	73.2	0	0	0	0	113.8	C724 K729 H740 H744	C724-C727 PolarHBondContact O-N 2.96Å; C727-K729 PolarHBondContact O-N 3.27Å; C727-H740 PolarHBondContact SG-NE2 3.48Å; C727-H744 PolarHBondContact SG-NE2 2.99Å
728	E	75	Confident	78.9	Confident	156 Å²	156	81.3 Å²	81.3	73%	0.729	41%	0.407	S	S	*	.			trans	56.2	6.5	171.6	-66.5	160.9	-154.9	0	0	116.6	C724 T730	C724-E728 WeakPolarHBondContact O-CA 3.36Å; C724-E728 PolarHBondContact O-N 3.11Å; E728-T730 PolarHBondContact O-N 2.58Å
729	K	81.9	Confident	79.3	Confident	124 Å²	124	85 Å²	85	54%	0.539	42%	0.417	S	S	.	.			trans	-66.3	119.6	177	-73	176.7	-174.7	173.5	0	109.8	C724 C727 F731	C724-K729 PolarHBondContact N-O 3.15Å; C727-K729 PolarHBondContact O-N 3.27Å; K729-F731 HydrophobicContact CB-CE2 3.65Å; K729-F731 HydrophobicContact CB-CZ 3.93Å; K729-F731 VanDerWaalsContact O-CD2 3.27Å; K729-F731 WeakPolarHBondContact O-CD2 3.3Å; K729-F731 WeakPolarHBondContact O-CE2 3.39Å
730	T	79.2	Confident	79.9	Confident	53 Å²	53	82 Å²	82	33%	0.325	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	135.4	-179.5	47.5	0	0	0	0	111.5	K720 E723 E728	K720-T730 VanDerWaalsContact CD-OG1 3.22Å; K720-T730 WeakPolarHBondContact CD-OG1 3.3Å; E723-T730 HydrophobicContact CB-CG2 4.01Å; E723-T730 HydrophobicContact CG-CG2 3.76Å; E728-T730 PolarHBondContact O-N 2.58Å
731	F	80.1	Confident	79.9	Confident	43 Å²	43	83.1 Å²	83.1	19%	0.189	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	140.4	-174.1	-62.5	-94.2	0	0	0	112.2	K720 Y722 K729 N736 F737 H740	K720-F731 CarbonylContact C-O 3.59Å; K720-F731 WeakPolarHBondContact CA-O 3.49Å; Y722-F731 PolarHBondContact N-O 3.2Å; Y722-F731 WeakPolarHBondContact O-CD2 3.22Å; Y722-F731 PolarHBondContact O-N 2.8Å; K729-F731 HydrophobicContact CB-CE2 3.65Å; K729-F731 HydrophobicContact CB-CZ 3.93Å; K729-F731 VanDerWaalsContact O-CD2 3.27Å; K729-F731 WeakPolarHBondContact O-CD2 3.3Å; K729-F731 WeakPolarHBondContact O-CE2 3.39Å; F731-N736 HydrophobicContact CD1-CB 3.95Å; F731-F737 HydrophobicContact CB-CB 4.03Å; F731-F737 HydrophobicContact CD2-CB 4.23Å; F731-F737 HydrophobicContact CD2-CD2 4.19Å; F731-F737 HydrophobicContact CG-CB 4.19Å; F731-H740 HydrophobicContact CE1-CB 4Å; F731-H740 HydrophobicContact CE2-CB 4.03Å; F731-H740 AromaticContact CE2-CD2 3.21Å; F731-H740 WeakPolarHBondContact CE2-CD2 3.31Å; F731-H740 AromaticContact CE2-CG 3.75Å; F731-H740 HydrophobicContact CZ-CB 3.52Å; F731-H740 AromaticContact CZ-CD2 3.29Å; F731-H740 WeakPolarHBondContact CZ-CD2 3.15Å; F731-H740 AromaticContact CZ-CG 3.35Å
732	R	76.6	Confident	80.3	Confident	79 Å²	79	86.3 Å²	86.3	30%	0.298	41%	0.411	S	S	.	.	S	Bend	trans	-73.6	-35.3	176.3	-173.6	174.1	-76	150.9	-9.5	113.3	K714 I715	K714-R732 HydrophobicContact CB-CG 3.97Å; K714-R732 VanDerWaalsContact O-CZ 3.3Å; K714-R732 PolarHBondContact O-NE 3.35Å; K714-R732 PolarHBondContact O-NH2 3.49Å; K714-R732 VanDerWaalsContact O-NH2 3.15Å; I715-R732 PolarHBondContact O-NH2 2.99Å
733	H	76.1	Confident	80.3	Confident	57 Å²	57	86.7 Å²	86.7	26%	0.264	42%	0.423	S	S	.	.	S	Bend	trans	-116.9	139.1	-175.9	-54.7	157.5	0	0	0	112.1	E711 S735 N736 F737	E711-H733 IonicContact OE1-CD2 3.7Å; E711-H733 IonicContact OE1-CG 3.86Å; H733-S735 VanDerWaalsContact C-N 3.27Å; H733-S735 PolarHBondContact O-N 3.44Å; H733-N736 PolarHBondContact O-N 2.92Å; H733-F737 PolarHBondContact O-N 2.93Å
734	K	78.8	Confident	80.1	Confident	120 Å²	120	83.4 Å²	83.4	52%	0.522	41%	0.407	S	S	.	.	H	α-helix	trans	-63.6	-30.4	-179.6	-167.7	176.2	180	178.2	0	112.9	Y722 L738	Y722-K734 HydrophobicContact CD1-CB 4.39Å; Y722-K734 HydrophobicContact CD1-CG 4.34Å; Y722-K734 HydrophobicContact CD2-CB 4.3Å; Y722-K734 HydrophobicContact CE1-CB 4Å; Y722-K734 HydrophobicContact CE1-CD 4.26Å; Y722-K734 HydrophobicContact CE1-CG 4.07Å; Y722-K734 HydrophobicContact CE2-CB 3.89Å; K734-L738 HydrophobicContact CG-CD1 3.98Å; K734-L738 HydrophobicContact CG-CG 4.33Å; K734-L738 WeakPolarHBondContact O-CB 3.03Å; K734-L738 VanDerWaalsContact O-CG 3.25Å; K734-L738 WeakPolarHBondContact O-CG 3.29Å; K734-L738 PolarHBondContact O-N 3.45Å
735	S	79.5	Confident	79.1	Confident	64 Å²	64	91.9 Å²	91.9	45%	0.448	44%	0.444	S	S	.	.	H	α-helix	trans	-57.9	-49.8	173.5	46.4	0	0	0	0	111.8	H733 L738 L739	H733-S735 VanDerWaalsContact C-N 3.27Å; H733-S735 PolarHBondContact O-N 3.44Å; S735-L738 PolarHBondContact O-N 3.44Å; S735-L739 WeakPolarHBondContact O-CG 3.46Å; S735-L739 PolarHBondContact O-N 3.13Å
736	N	81.7	Confident	77.6	Confident	80 Å²	80	94.9 Å²	94.9	43%	0.428	45%	0.453	S	S	.	.	H	α-helix	trans	-71.3	-39.1	-174.2	-59.1	30.8	0	0	0	110	F731 H733 L739 H740	F731-N736 HydrophobicContact CD1-CB 3.95Å; H733-N736 PolarHBondContact O-N 2.92Å; N736-L739 PolarHBondContact O-N 3.5Å; N736-H740 WeakPolarHBondContact O-CB 3.37Å; N736-H740 PolarHBondContact O-N 3.04Å
737	F	82.3	Confident	77.6	Confident	29 Å²	29	92.3 Å²	92.3	13%	0.127	44%	0.444	C	S	.	.	H	α-helix	trans	-58.4	-45.8	168.4	170	-111	0	0	0	112.7	Y722 E723 C724 F731 H733 H740 R741	Y722-F737 HydrophobicContact CG-CB 4.34Å; E723-F737 WeakPolarHBondContact O-CE2 3.33Å; C724-F737 HydrophobicContact CB-CE2 4.31Å; F731-F737 HydrophobicContact CB-CB 4.03Å; F731-F737 HydrophobicContact CD2-CB 4.23Å; F731-F737 HydrophobicContact CD2-CD2 4.19Å; F731-F737 HydrophobicContact CG-CB 4.19Å; H733-F737 PolarHBondContact O-N 2.93Å; F737-H740 PolarHBondContact O-N 3.38Å; F737-R741 WeakPolarHBondContact O-CB 3.23Å; F737-R741 PolarHBondContact O-N 3.05Å
738	L	81.5	Confident	77.2	Confident	75 Å²	75	94.7 Å²	94.7	39%	0.393	45%	0.45	S	S	.	.	H	α-helix	trans	-69.5	-32.2	-179.4	-74.6	168.4	0	0	0	113.1	K734 S735 K742	K734-L738 HydrophobicContact CG-CD1 3.98Å; K734-L738 HydrophobicContact CG-CG 4.33Å; K734-L738 WeakPolarHBondContact O-CB 3.03Å; K734-L738 VanDerWaalsContact O-CG 3.25Å; K734-L738 WeakPolarHBondContact O-CG 3.29Å; K734-L738 PolarHBondContact O-N 3.45Å; S735-L738 PolarHBondContact O-N 3.44Å; L738-K742 PolarHBondContact O-N 2.76Å
739	L	81.4	Confident	77.4	Confident	116 Å²	116	91.3 Å²	91.3	61%	0.607	44%	0.435	S	S	*	.	H	α-helix	trans	-66.8	-49.2	170.5	-72	169	0	0	0	110.8	S735 N736 R741 K742 S743	S735-L739 WeakPolarHBondContact O-CG 3.46Å; S735-L739 PolarHBondContact O-N 3.13Å; N736-L739 PolarHBondContact O-N 3.5Å; L739-R741 VanDerWaalsContact C-N 3.3Å; L739-R741 PolarHBondContact O-N 3.2Å; L739-K742 WeakPolarHBondContact O-CB 3.5Å; L739-K742 PolarHBondContact O-N 3.04Å; L739-S743 PolarHBondContact O-N 3.33Å
740	H	82.9	Confident	77.1	Confident	26 Å²	26	89.4 Å²	89.4	12%	0.12	43%	0.429	C	S	.	.	H	α-helix	trans	-60.6	-37.3	175.8	176.9	54.2	0	0	0	112.7	C727 F731 N736 F737 K742 S743 H744	C727-H740 PolarHBondContact SG-NE2 3.48Å; F731-H740 HydrophobicContact CE1-CB 4Å; F731-H740 HydrophobicContact CE2-CB 4.03Å; F731-H740 AromaticContact CE2-CD2 3.21Å; F731-H740 WeakPolarHBondContact CE2-CD2 3.31Å; F731-H740 AromaticContact CE2-CG 3.75Å; F731-H740 HydrophobicContact CZ-CB 3.52Å; F731-H740 AromaticContact CZ-CD2 3.29Å; F731-H740 WeakPolarHBondContact CZ-CD2 3.15Å; F731-H740 AromaticContact CZ-CG 3.35Å; N736-H740 WeakPolarHBondContact O-CB 3.37Å; N736-H740 PolarHBondContact O-N 3.04Å; F737-H740 PolarHBondContact O-N 3.38Å; H740-K742 PolarHBondContact O-N 2.96Å; H740-S743 PolarHBondContact O-N 2.93Å; H740-S743 VanDerWaalsContact O-N 3.14Å; H740-S743 PolarHBondContact O-OG 3.03Å; H740-H744 AromaticContact CE1-CD2 3.59Å; H740-H744 AromaticContact CE1-NE2 3.15Å; H740-H744 PolarHBondContact CE1-NE2 2.93Å; H740-H744 AromaticContact NE2-CD2 3.61Å; H740-H744 AromaticContact NE2-NE2 3.11Å; H740-H744 PolarHBondContact NE2-NE2 2.82Å; H740-H744 VanDerWaalsContact NE2-NE2 3.11Å; H740-H744 PolarHBondContact O-CD2 3.33Å; H740-H744 VanDerWaalsContact O-CD2 3.26Å
741	R	79.8	Confident	77	Confident	135 Å²	135	91.6 Å²	91.6	51%	0.509	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71	-6.4	175	-151.3	-171.4	73.2	154.6	3	113.5	F737 L739	F737-R741 WeakPolarHBondContact O-CB 3.23Å; F737-R741 PolarHBondContact O-N 3.05Å; L739-R741 VanDerWaalsContact C-N 3.3Å; L739-R741 PolarHBondContact O-N 3.2Å
742	K	81.9	Confident	76.7	Confident	136 Å²	136	94.9 Å²	94.9	59%	0.591	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-37.1	166.3	-71.4	-179.1	172.5	-164.9	0	112	L738 L739 H740 H744 K745 E746	L738-K742 PolarHBondContact O-N 2.76Å; L739-K742 WeakPolarHBondContact O-CB 3.5Å; L739-K742 PolarHBondContact O-N 3.04Å; H740-K742 PolarHBondContact O-N 2.96Å; K742-H744 PolarHBondContact O-N 3.14Å; K742-K745 WeakPolarHBondContact O-CB 3.44Å; K742-K745 PolarHBondContact O-N 3.04Å; K742-K745 VanDerWaalsContact O-N 3.15Å; K742-E746 PolarHBondContact O-N 3.22Å
743	S	78.4	Confident	76.8	Confident	69 Å²	69	96 Å²	96	48%	0.483	46%	0.462	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	38.4	172.8	75	0	0	0	0	113.1	L739 H740	L739-S743 PolarHBondContact O-N 3.33Å; H740-S743 PolarHBondContact O-N 2.93Å; H740-S743 VanDerWaalsContact O-N 3.14Å; H740-S743 PolarHBondContact O-OG 3.03Å
744	H	77.7	Confident	76.8	Confident	37 Å²	37	99 Å²	99	17%	0.171	48%	0.478	C	S	.	.	T	Hydrogen-bonded Turn	trans	-152.4	21.7	-177.6	-86.4	-67	0	0	0	109.1	K726 C727 H740 K742	K726-H744 HydrophobicContact CD-CB 3.79Å; K726-H744 PolarHBondContact NZ-O 3.24Å; C727-H744 PolarHBondContact SG-NE2 2.99Å; H740-H744 AromaticContact CE1-CD2 3.59Å; H740-H744 AromaticContact CE1-NE2 3.15Å; H740-H744 PolarHBondContact CE1-NE2 2.93Å; H740-H744 AromaticContact NE2-CD2 3.61Å; H740-H744 AromaticContact NE2-NE2 3.11Å; H740-H744 PolarHBondContact NE2-NE2 2.82Å; H740-H744 VanDerWaalsContact NE2-NE2 3.11Å; H740-H744 PolarHBondContact O-CD2 3.33Å; H740-H744 VanDerWaalsContact O-CD2 3.26Å; K742-H744 PolarHBondContact O-N 3.14Å
745	K	63.3	Low	76.6	Confident	182 Å²	182	97.3 Å²	97.3	79%	0.791	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-155.8	-24.8	-167.2	-96.2	-170.3	163.3	-86.4	0	111.1	K742	K742-K745 WeakPolarHBondContact O-CB 3.44Å; K742-K745 PolarHBondContact O-N 3.04Å; K742-K745 VanDerWaalsContact O-N 3.15Å
746	E	49.2	Very low	76.4	Confident	218 Å²	218	100.3 Å²	100.3	100%	1.019	48%	0.476	S	S	*	.			trans	-72	0	130.6	-67.9	144.6	-145	0	0	108.9	K742	K742-E746 PolarHBondContact O-N 3.22Å

Retrieved 746 of 746 residues in 1203.8 ms (Link to these results)

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