A0A087XLC9_POEFO Loading...

Kinase

AlphaFold DB , UniProt , Accession A0A087XLC9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 452 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	40.5	Very low	35.1	Very low	241 Å²	241	151.5 Å²	151.5	100%	1.187	75%	0.747	S	S	*	*				0	119.2	0	-75	-169.2	73.3	0	0	108.6
2	P	51.1	Low	34.7	Very low	110 Å²	110	151.5 Å²	151.5	71%	0.714	75%	0.753	S	S	*	*			trans	-122.1	179	-171.7	47.3	-35.6	0	0	0	112.3
3	K	36.8	Very low	34.5	Very low	159 Å²	159	155.2 Å²	155.2	69%	0.691	76%	0.762	S	S	*	*			trans	90.8	112	146.1	-71.6	-174.3	178.8	-145.9	0	118.3
4	E	36.9	Very low	34	Very low	153 Å²	153	149.6 Å²	149.6	72%	0.715	76%	0.764	S	S	*	*				82.5	151.8	80.8	-81.6	175.4	168.6	0	0	110.2
5	C	33.4	Very low	33.8	Very low	93 Å²	93	152.7 Å²	152.7	63%	0.628	77%	0.771	S	S	*	*			cis	-168.2	147.1	-1.6	-128.9	0	0	0	0	107.6
6	R	32.8	Very low	33.6	Very low	177 Å²	177	150.9 Å²	150.9	67%	0.668	78%	0.777	S	S	*	*				43.7	132.4	125.8	-80.9	-179.5	165.1	175.5	1.1	122.3
7	R	31.2	Very low	33.3	Very low	174 Å²	174	145.7 Å²	145.7	66%	0.657	77%	0.769	S	S	*	*				71.7	149.9	125.4	-71.5	176.7	179.5	173.6	-3.9	115.6
8	K	30.5	Very low	33.1	Very low	177 Å²	177	146.2 Å²	146.2	77%	0.77	78%	0.779	S	S	*	*			cis	-173.6	139.4	23.1	-124.2	168.3	-179.8	-166.9	0	104.9
9	S	28.9	Very low	32.9	Very low	99 Å²	99	142.8 Å²	142.8	69%	0.692	78%	0.782	S	S	*	*				90.3	132.4	96.1	170.3	0	0	0	0	117.7
10	S	29.7	Very low	32.9	Very low	101 Å²	101	144.1 Å²	144.1	71%	0.706	79%	0.786	S	S	*	*			trans	74.6	119.1	148.6	-63.7	0	0	0	0	118.1
11	K	34.6	Very low	32.8	Very low	182 Å²	182	142.7 Å²	142.7	79%	0.791	79%	0.787	S	S	*	*				71.3	107.2	65.5	-154.2	-173.8	-164.9	-177.2	0	110.3
12	D	29.5	Very low	32.3	Very low	152 Å²	152	139 Å²	139	81%	0.813	77%	0.772	S	S	*	*				-178.1	147.5	119.8	-90.6	-22.8	0	0	0	114.4
13	F	32.7	Very low	31.2	Very low	199 Å²	199	137.1 Å²	137.1	87%	0.873	77%	0.773	S	S	*	*			trans	-65.6	154.4	165.9	-93.8	-108	0	0	0	111.6
14	G	28	Very low	30.8	Very low	77 Å²	77	133.4 Å²	133.4	79%	0.794	78%	0.78	S	S	*	*			trans	179.8	113.3	164.1	0	0	0	0	0	114.2
15	F	31	Very low	30.4	Very low	196 Å²	196	135.9 Å²	135.9	86%	0.86	78%	0.783	S	S	*	*			trans	-72.5	173.2	-178.8	-102.3	-100.1	0	0	0	115.2
16	S	29.8	Very low	30.4	Very low	124 Å²	124	138 Å²	138	87%	0.867	79%	0.792	S	S	*	*			trans	97.5	135.5	164.2	78.3	0	0	0	0	115.5
17	G	29.1	Very low	30.1	Very low	63 Å²	63	135 Å²	135	65%	0.649	79%	0.786	S	S	*	*			cis	179.9	161.7	0.7	0	0	0	0	0	110.8
18	T	29.8	Very low	30.1	Very low	155 Å²	155	138.3 Å²	138.3	95%	0.951	80%	0.798	S	S	*	*			trans	59.5	119.6	151.6	53.6	0	0	0	0	121.3
19	G	29.5	Very low	30	Very low	81 Å²	81	140.6 Å²	140.6	84%	0.835	80%	0.802	S	S	*	*			trans	-178.1	106.4	159.3	0	0	0	0	0	111.7
20	I	32.3	Very low	30	Very low	168 Å²	168	140.7 Å²	140.7	86%	0.862	81%	0.809	S	S	*	*			trans	-82.2	161.9	-173.4	-69.5	166.8	0	0	0	112.1
21	S	30.8	Very low	30.1	Very low	115 Å²	115	140.7 Å²	140.7	80%	0.804	82%	0.815	S	S	*	*			trans	101	140.4	161.7	76.8	0	0	0	0	115.7
22	D	29.7	Very low	29.8	Very low	163 Å²	163	135.7 Å²	135.7	87%	0.872	82%	0.815	S	S	*	*			cis	-172.1	152.1	-17.7	-176.8	17.2	0	0	0	105.8
23	G	28.2	Very low	29.9	Very low	72 Å²	72	140.2 Å²	140.2	74%	0.742	82%	0.821	S	S	*	*			trans	84.9	120.7	151.8	0	0	0	0	0	119.6
24	G	28.5	Very low	30.3	Very low	80 Å²	80	135.5 Å²	135.5	83%	0.825	81%	0.813	S	S	*	*			trans	145.8	50.8	151.4	0	0	0	0	0	118.4	V26	G24-V26 PolarHBondContact O-N 3.33Å
25	R	29.2	Very low	31	Very low	206 Å²	206	137.2 Å²	137.2	78%	0.777	81%	0.81	S	S	*	*			trans	-66.5	119.3	170.8	-177.1	-178.3	-174.8	178.9	2.2	111.2	E27	R25-E27 HydrophobicContact CG-CG 4.5Å; R25-E27 IonicContact CZ-OE1 3.34Å; R25-E27 IonicContact NE-OE1 3.14Å; R25-E27 PolarHBondContact NE-OE1 3.41Å; R25-E27 VanDerWaalsContact NE-OE1 3.14Å; R25-E27 IonicContact NH2-OE1 2.7Å; R25-E27 PolarHBondContact NH2-OE1 3.22Å
26	V	32	Very low	31.2	Very low	137 Å²	137	135.2 Å²	135.2	83%	0.83	80%	0.803	S	S	*	*			trans	-132.8	99.8	155.3	179.5	0	0	0	0	108.9	G24	G24-V26 PolarHBondContact O-N 3.33Å
27	E	27.7	Very low	31.8	Very low	115 Å²	115	135.7 Å²	135.7	54%	0.537	79%	0.794	S	S	.	*			trans	-64	122.9	168.2	-75.2	168.8	176.6	0	0	110.1	R25	R25-E27 HydrophobicContact CG-CG 4.5Å; R25-E27 IonicContact CZ-OE1 3.34Å; R25-E27 IonicContact NE-OE1 3.14Å; R25-E27 PolarHBondContact NE-OE1 3.41Å; R25-E27 VanDerWaalsContact NE-OE1 3.14Å; R25-E27 IonicContact NH2-OE1 2.7Å; R25-E27 PolarHBondContact NH2-OE1 3.22Å
28	R	30.3	Very low	32.3	Very low	242 Å²	242	137.4 Å²	137.4	91%	0.913	80%	0.795	S	S	*	*			trans	-97.3	102.6	156.5	-91.4	-172.4	-84	170.9	-5.6	108.1	A30	R28-A30 PolarHBondContact O-N 3.46Å
29	R	29	Very low	32.7	Very low	226 Å²	226	132.7 Å²	132.7	85%	0.853	77%	0.773	S	S	*	*			trans	-60.8	118.2	171.3	-74	178.9	178.7	-179.6	-1.9	109.6
30	A	29.7	Very low	33.2	Very low	100 Å²	100	135.6 Å²	135.6	83%	0.826	76%	0.764	S	S	*	*			trans	-77.3	119.5	159.3	0	0	0	0	0	108	R28 G32	R28-A30 PolarHBondContact O-N 3.46Å; A30-G32 PolarHBondContact O-N 3.36Å
31	A	30.7	Very low	33.6	Very low	101 Å²	101	134 Å²	134	84%	0.835	76%	0.757	S	S	*	*			trans	-86.3	101.5	170	0	0	0	0	0	108.2
32	G	28.5	Very low	34.1	Very low	78 Å²	78	134.9 Å²	134.9	80%	0.804	75%	0.751	S	S	*	*			trans	-68.6	129.4	163.3	0	0	0	0	0	109.8	A30	A30-G32 PolarHBondContact O-N 3.36Å
33	R	32.7	Very low	34.4	Very low	247 Å²	247	134.6 Å²	134.6	93%	0.932	75%	0.745	S	S	*	*			trans	-114.9	111.1	160.5	-82.4	-173.1	177.9	-169.1	-0.3	107.3
34	S	40.9	Very low	34.9	Very low	100 Å²	100	140.2 Å²	140.2	70%	0.699	75%	0.749	S	S	*	*			trans	-122.8	-176.6	160.4	62.1	0	0	0	0	108.3	Q36	S34-Q36 PolarHBondContact O-N 2.95Å
35	P	41	Very low	35.2	Very low	113 Å²	113	140.8 Å²	140.8	73%	0.734	75%	0.746	S	S	*	*	S	Bend		-91	90.6	-110	34.7	-17	0	0	0	111.7
36	Q	36.2	Very low	35.6	Very low	154 Å²	154	135.1 Å²	135.1	72%	0.72	74%	0.742	S	S	*	*			trans	-109.8	-10.8	176.9	-82.1	163.9	-23.4	0	0	113.7	S34	S34-Q36 PolarHBondContact O-N 2.95Å
37	I	42	Very low	35.9	Very low	133 Å²	133	135.4 Å²	135.4	68%	0.682	74%	0.738	S	S	*	*	H	α-helix	trans	-79.5	-31.6	-175.8	-57.8	175	0	0	0	111.9
38	C	39	Very low	36.2	Very low	99 Å²	99	136.3 Å²	136.3	67%	0.669	75%	0.751	S	S	*	*	H	α-helix	trans	-75.7	-28.6	178.2	-71.8	0	0	0	0	113.6
39	A	38.4	Very low	36.4	Very low	57 Å²	57	129.2 Å²	129.2	47%	0.471	74%	0.744	S	S	.	*	H	α-helix	trans	-75.6	-33.8	-179.7	0	0	0	0	0	112.6	L41 I42 Q43	A39-L41 VanDerWaalsContact C-N 3.3Å; A39-L41 PolarHBondContact O-N 3.37Å; A39-I42 PolarHBondContact O-N 3.39Å; A39-Q43 PolarHBondContact O-N 3.01Å
40	E	40.1	Very low	36.5	Very low	141 Å²	141	123.1 Å²	123.1	66%	0.659	74%	0.742	S	S	*	*	H	α-helix	trans	-68.7	-25.8	179.4	-77.4	-169	154.7	0	0	113.5
41	L	40.6	Very low	36.8	Very low	135 Å²	135	124.2 Å²	124.2	71%	0.707	74%	0.741	S	S	*	*	H	α-helix	trans	-77.8	-23.6	176.2	-84.3	158.1	0	0	0	113.1	A39	A39-L41 VanDerWaalsContact C-N 3.3Å; A39-L41 PolarHBondContact O-N 3.37Å
42	I	41.6	Very low	37.3	Very low	133 Å²	133	125.5 Å²	125.5	68%	0.682	74%	0.741	S	S	*	*	H	α-helix	trans	-85.9	-33.6	179.9	-63.4	174.2	0	0	0	111.1	A39 K44	A39-I42 PolarHBondContact O-N 3.39Å; I42-K44 PolarHBondContact O-N 3.48Å
43	Q	37.2	Very low	37.3	Very low	158 Å²	158	126.6 Å²	126.6	74%	0.738	74%	0.742	S	S	*	*	H	α-helix	trans	-74.9	-21	179.2	-78	-170.7	-15	0	0	114.5	A39 A45	A39-Q43 PolarHBondContact O-N 3.01Å; Q43-A45 VanDerWaalsContact C-N 3.29Å; Q43-A45 PolarHBondContact O-N 2.99Å
44	K	37.2	Very low	37.3	Very low	190 Å²	190	119.5 Å²	119.5	83%	0.826	74%	0.736	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.6	-6	177.4	-84.9	-178.4	174.4	174.5	0	114.9	I42	I42-K44 PolarHBondContact O-N 3.48Å
45	A	36.2	Very low	37.1	Very low	92 Å²	92	120.7 Å²	120.7	76%	0.76	74%	0.741	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.9	-3.2	-179.6	0	0	0	0	0	114.6	Q43	Q43-A45 VanDerWaalsContact C-N 3.29Å; Q43-A45 PolarHBondContact O-N 2.99Å
46	A	37.5	Very low	36.6	Very low	86 Å²	86	118.9 Å²	118.9	71%	0.711	74%	0.736	S	S	*	*	S	Bend	trans	-115.5	6	-169.3	0	0	0	0	0	116.3
47	I	37.6	Very low	36.5	Very low	144 Å²	144	119.8 Å²	119.8	74%	0.738	75%	0.745	S	S	*	*	S	Bend	trans	-132.1	114.9	-175.5	-62.9	-178	0	0	0	112
48	V	34.3	Very low	36	Very low	133 Å²	133	121.1 Å²	121.1	81%	0.806	75%	0.75	S	S	*	*			trans	97.3	116.9	154.2	177.2	0	0	0	0	119
49	A	34.4	Very low	35.6	Very low	94 Å²	94	124.3 Å²	124.3	78%	0.777	76%	0.761	S	S	*	*			trans	-86.1	158.8	162.3	0	0	0	0	0	112
50	A	29.8	Very low	35.2	Very low	97 Å²	97	124.5 Å²	124.5	80%	0.802	76%	0.762	S	S	*	*			trans	93.9	149.2	172.1	0	0	0	0	0	119.1
51	P	36.6	Very low	34.8	Very low	124 Å²	124	123.1 Å²	123.1	81%	0.805	77%	0.765	S	S	*	*				-116.3	-167	-129.7	49.1	-39.4	0	0	0	114.3
52	P	40.5	Very low	34.5	Very low	128 Å²	128	120.8 Å²	120.8	83%	0.831	75%	0.753	S	S	*	*				-106.6	150	-115.6	31	-10.7	0	0	0	115.5
53	A	29	Very low	34.3	Very low	101 Å²	101	116 Å²	116	84%	0.835	73%	0.73	S	S	*	*			trans	-110.1	148	158	0	0	0	0	0	109.7
54	A	33.2	Very low	34.3	Very low	97 Å²	97	110 Å²	110	80%	0.802	71%	0.705	S	S	*	*	P	Polyproline II helix	trans	-51.5	150.4	-165.2	0	0	0	0	0	116.2
55	P	35.7	Very low	34.4	Very low	125 Å²	125	102.8 Å²	102.8	81%	0.812	67%	0.674	S	S	*	*	P	Polyproline II helix	trans	-83.6	132.6	-172.8	33.2	-31.3	0	0	0	112
56	A	32.1	Very low	34.5	Very low	76 Å²	76	98.7 Å²	98.7	63%	0.628	64%	0.639	S	S	*	*	P	Polyproline II helix	trans	-69.5	133.8	155.6	0	0	0	0	0	108.7	M58	A56-M58 HydrophobicContact CB-CE 4.31Å; A56-M58 PolarHBondContact O-N 2.99Å
57	L	33.1	Very low	34.8	Very low	173 Å²	173	95 Å²	95	91%	0.906	61%	0.609	S	S	*	*			trans	-56	109.3	171.2	-105.9	92.4	0	0	0	109.1
58	M	31.2	Very low	34.7	Very low	160 Å²	160	88.8 Å²	88.8	79%	0.788	58%	0.577	S	S	*	*			trans	-112.3	123.6	161.5	-66.5	-67.9	138.5	0	0	106.2	A56 A60	A56-M58 HydrophobicContact CB-CE 4.31Å; A56-M58 PolarHBondContact O-N 2.99Å; M58-A60 PolarHBondContact O-N 3.34Å
59	D	31.3	Very low	35.1	Very low	167 Å²	167	82.7 Å²	82.7	89%	0.893	54%	0.539	S	S	*	.	P	Polyproline II helix	trans	-55.6	128.7	176.4	-104.6	-28.6	0	0	0	110
60	A	29.8	Very low	35	Very low	60 Å²	60	78.5 Å²	78.5	50%	0.496	51%	0.505	S	S	.	.	P	Polyproline II helix	trans	-68.7	139	177.8	0	0	0	0	0	110.3	M58 L62	M58-A60 PolarHBondContact O-N 3.34Å; A60-L62 PolarHBondContact O-N 3.08Å
61	P	32	Very low	35.2	Very low	112 Å²	112	76.7 Å²	76.7	73%	0.727	48%	0.481	S	S	*	.	P	Polyproline II helix	trans	-63.8	129	177.7	-17.6	29.3	0	0	0	111.6
62	L	34.2	Very low	34.8	Very low	86 Å²	86	71.7 Å²	71.7	45%	0.45	45%	0.451	S	S	.	.	P	Polyproline II helix	trans	-73.7	121.2	173.3	-61.9	164.8	0	0	0	108.8	A60 P64 K161	A60-L62 PolarHBondContact O-N 3.08Å; L62-P64 WeakPolarHBondContact O-CD 3.45Å; L62-K161 HydrophobicContact CD2-CB 3.41Å; L62-K161 VanDerWaalsContact CD2-CB 3.41Å; L62-K161 HydrophobicContact CD2-CD 3.77Å; L62-K161 HydrophobicContact CD2-CG 4.18Å
63	V	36.8	Very low	34.4	Very low	34 Å²	34	69.2 Å²	69.2	21%	0.206	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	122.1	178.8	-179.9	0	0	0	0	109.1	Q65 K160 N163	V63-Q65 PolarHBondContact O-N 3.04Å; V63-K160 HydrophobicContact CG2-CD 4.29Å; V63-N163 PolarHBondContact O-N 2.9Å; V63-N163 VanDerWaalsContact O-N 3.13Å
64	P	36.8	Very low	34.3	Very low	32 Å²	32	66.2 Å²	66.2	21%	0.208	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	109.3	170.2	-5	23.6	0	0	0	111	L62 N163	L62-P64 WeakPolarHBondContact O-CD 3.45Å; P64-N163 CarbonylContact C-O 3.58Å; P64-N163 VanDerWaalsContact C-O 3.23Å; P64-N163 WeakPolarHBondContact CA-O 3.45Å; P64-N163 HydrophobicContact CB-CB 3.92Å; P64-N163 HydrophobicContact CG-CB 4.48Å
65	Q	40.2	Very low	34	Very low	38 Å²	38	67.4 Å²	67.4	18%	0.178	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	145.1	167.7	-68.2	-176.4	-60.3	0	0	109.8	V63 V162 N163 W164 V165 D225	V63-Q65 PolarHBondContact O-N 3.04Å; Q65-V162 HydrophobicContact CB-CG1 3.56Å; Q65-V162 HydrophobicContact CG-CG1 3.7Å; Q65-N163 PolarHBondContact N-O 2.85Å; Q65-W164 HydrophobicContact CB-CE3 4.48Å; Q65-W164 HydrophobicContact CB-CZ3 4.38Å; Q65-W164 CarbonylContact O-C 3.57Å; Q65-W164 VanDerWaalsContact O-CA 3.24Å; Q65-W164 WeakPolarHBondContact O-CA 3Å; Q65-V165 PolarHBondContact O-N 3.01Å; Q65-D225 PolarHBondContact NE2-OD2 3.27Å
66	V	39.1	Very low	33.5	Very low	5 Å²	5	66.5 Å²	66.5	3%	0.03	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	137.2	-174	-169.6	0	0	0	0	107	V165 L167 L227 K311	V66-V165 CarbonylContact C-O 3.54Å; V66-V165 WeakPolarHBondContact CA-O 3.38Å; V66-V165 HydrophobicContact CB-CB 4.46Å; V66-V165 HydrophobicContact CG1-CB 4.03Å; V66-V165 HydrophobicContact CG1-CG1 4.25Å; V66-V165 WeakPolarHBondContact CG1-O 3.46Å; V66-V165 HydrophobicContact CG2-CB 4.21Å; V66-L167 HydrophobicContact CG1-CD1 4.25Å; V66-L167 HydrophobicContact CG1-CG 3.96Å; V66-L227 HydrophobicContact CB-CD1 3.32Å; V66-L227 HydrophobicContact CG1-CD1 4.46Å; V66-L227 HydrophobicContact CG2-CD1 3.89Å; V66-L227 WeakPolarHBondContact O-CD1 3.26Å; V66-K311 HydrophobicContact CB-CD 4.23Å; V66-K311 HydrophobicContact CG1-CD 3.68Å; V66-K311 HydrophobicContact CG2-CD 3.53Å
67	T	44.2	Very low	33.3	Very low	10 Å²	10	74.1 Å²	74.1	6%	0.061	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	139	-173.4	-52.6	0	0	0	0	109.2	V165 Q166 L167 F174 I182	T67-V165 PolarHBondContact N-O 3.13Å; T67-Q166 VanDerWaalsContact O-CA 3.28Å; T67-Q166 WeakPolarHBondContact O-CA 3.27Å; T67-L167 PolarHBondContact O-N 2.84Å; T67-F174 HydrophobicContact CG2-CB 3.72Å; T67-F174 HydrophobicContact CG2-CD1 3.07Å; T67-F174 HydrophobicContact CG2-CD2 3.88Å; T67-F174 HydrophobicContact CG2-CE1 3.4Å; T67-F174 VanDerWaalsContact CG2-CE1 3.4Å; T67-F174 HydrophobicContact CG2-CE2 4.25Å; T67-F174 HydrophobicContact CG2-CG 3.26Å; T67-F174 HydrophobicContact CG2-CZ 3.98Å; T67-I182 HydrophobicContact CG2-CD1 3.25Å; T67-I182 HydrophobicContact CG2-CG1 4.48Å; T67-I182 WeakPolarHBondContact OG1-CD1 3.41Å
68	I	35.3	Very low	32.8	Very low	13 Å²	13	74 Å²	74	7%	0.067	43%	0.429	C	S	.	.			trans	-112	136.8	-178.5	-51.3	-157.3	0	0	0	108	L167 F174 V235 D237 L376 I389	I68-L167 HydrophobicContact CD1-CB 4.36Å; I68-L167 HydrophobicContact CD1-CD1 3.58Å; I68-L167 HydrophobicContact CG1-CB 4.22Å; I68-L167 HydrophobicContact CG1-CD1 4.02Å; I68-F174 WeakPolarHBondContact O-CE2 3.29Å; I68-F174 WeakPolarHBondContact O-CZ 3.4Å; I68-V235 HydrophobicContact CD1-CG1 3.88Å; I68-D237 HydrophobicContact CD1-CB 4.06Å; I68-D237 HydrophobicContact CG2-CB 4.4Å; I68-D237 WeakPolarHBondContact CG2-OD2 3.47Å; I68-L376 HydrophobicContact CD1-CB 4.36Å; I68-L376 HydrophobicContact CD1-CD1 3.09Å; I68-L376 HydrophobicContact CD1-CD2 3.7Å; I68-L376 HydrophobicContact CD1-CG 3.86Å; I68-L376 HydrophobicContact CG1-CD1 4.22Å; I68-L376 HydrophobicContact CG1-CD2 4.06Å; I68-I389 HydrophobicContact CB-CD1 3.6Å; I68-I389 HydrophobicContact CD1-CD1 4.24Å; I68-I389 HydrophobicContact CG1-CD1 4.43Å; I68-I389 HydrophobicContact CG2-CD1 3.35Å
69	T	40.9	Very low	32.5	Very low	4 Å²	4	74.3 Å²	74.3	3%	0.025	43%	0.432	C	S	.	.			trans	-126.8	147.6	-165.5	85.4	0	0	0	0	113.8	Q166 A168 G169 H170 F174	T69-Q166 HydrophobicContact CG2-CG 3.49Å; T69-Q166 VanDerWaalsContact CG2-CG 3.49Å; T69-Q166 PolarHBondContact OG1-NE2 3.48Å; T69-A168 WeakPolarHBondContact CB-O 3.47Å; T69-A168 WeakPolarHBondContact CG2-O 3.35Å; T69-A168 VanDerWaalsContact OG1-C 3.29Å; T69-A168 PolarHBondContact OG1-O 3.25Å; T69-G169 VanDerWaalsContact OG1-C 3.28Å; T69-G169 WeakPolarHBondContact OG1-CA 3.45Å; T69-G169 PolarHBondContact OG1-N 3.3Å; T69-H170 PolarHBondContact OG1-N 3.26Å; T69-F174 VanDerWaalsContact CA-CE2 3.4Å; T69-F174 HydrophobicContact CG2-CD2 3.15Å; T69-F174 HydrophobicContact CG2-CE2 3.15Å; T69-F174 HydrophobicContact CG2-CG 4.21Å; T69-F174 HydrophobicContact CG2-CZ 4.11Å
70	S	33.4	Very low	32	Very low	7 Å²	7	74.2 Å²	74.2	5%	0.049	43%	0.426	C	S	.	.			trans	-88.6	157.2	171.3	63.6	0	0	0	0	113.3	A72 N173 K184 D390	S70-A72 PolarHBondContact O-N 2.92Å; S70-N173 PolarHBondContact O-ND2 3.04Å; S70-K184 VanDerWaalsContact CB-NZ 3.26Å; S70-K184 WeakPolarHBondContact OG-CE 3.29Å; S70-K184 PolarHBondContact OG-NZ 2.96Å; S70-D390 WeakPolarHBondContact CB-OD1 3.06Å; S70-D390 PolarHBondContact N-OD1 3.28Å
71	D	33	Very low	31.8	Very low	58 Å²	58	79.6 Å²	79.6	31%	0.31	44%	0.441	S	S	.	.			trans	-85.1	93.8	160.7	-66.1	-19.2	0	0	0	110.1
72	A	29.9	Very low	31.5	Very low	20 Å²	20	82 Å²	82	17%	0.165	44%	0.443	C	S	.	.			trans	-144.9	123	166.5	0	0	0	0	0	110.7	S70 S187	S70-A72 PolarHBondContact O-N 2.92Å; A72-S187 VanDerWaalsContact CB-CB 3.49Å
73	G	30.7	Very low	31.1	Very low	76 Å²	76	84.6 Å²	84.6	78%	0.784	46%	0.457	S	S	*	.			trans	-77.4	145.1	-179.6	0	0	0	0	0	111.9
74	G	28.5	Very low	30.8	Very low	38 Å²	38	91.8 Å²	91.8	39%	0.392	49%	0.493	S	S	.	.			trans	-129.6	138.2	177.2	0	0	0	0	0	111
75	T	25.7	Very low	30.3	Very low	121 Å²	121	98.2 Å²	98.2	74%	0.742	53%	0.526	S	S	*	.			trans	-92.1	156.2	-176.3	47.8	0	0	0	0	112.1
76	S	25.3	Very low	29.7	Very low	107 Å²	107	99.9 Å²	99.9	75%	0.748	55%	0.553	S	S	*	*			trans	-130.5	138	162.5	-72.6	0	0	0	0	110
77	R	27.2	Very low	29.1	Very low	236 Å²	236	104 Å²	104	89%	0.891	59%	0.588	S	S	*	*	P	Polyproline II helix	trans	-83.4	158.5	-177.3	-72.9	178.1	87.8	168.8	5.3	113.3
78	E	23.9	Very low	28.5	Very low	169 Å²	169	110.3 Å²	110.3	79%	0.79	63%	0.626	S	S	*	*	P	Polyproline II helix	trans	-53.1	147.1	177.8	-61.7	163.4	133.2	0	0	115.4
79	I	23.3	Very low	28.2	Very low	167 Å²	167	116.8 Å²	116.8	86%	0.856	66%	0.66	S	S	*	*	P	Polyproline II helix	trans	-91.5	127	158.9	-62.8	170	0	0	0	106.6
80	Q	22.8	Very low	27.7	Very low	166 Å²	166	120.2 Å²	120.2	78%	0.776	70%	0.697	S	S	*	*	P	Polyproline II helix	trans	-103.3	166.3	164.5	-92.7	-176	20.1	0	0	110.8
81	E	24.1	Very low	27.4	Very low	172 Å²	172	125.3 Å²	125.3	80%	0.804	73%	0.728	S	S	*	*			trans	87.6	136.6	177.8	-67.1	-176.6	175.3	0	0	116.3
82	E	27	Very low	27.2	Very low	163 Å²	163	129.7 Å²	129.7	76%	0.762	75%	0.75	S	S	*	*			cis	176.5	171.3	-20.4	-114.1	178.9	-172.4	0	0	103.7
83	D	25.4	Very low	27.2	Very low	141 Å²	141	140.3 Å²	140.3	75%	0.754	79%	0.786	S	S	*	*			trans	73.6	94.5	167.9	-67.7	-12.6	0	0	0	120.5
84	L	29.4	Very low	27.2	Very low	185 Å²	185	147.5 Å²	147.5	97%	0.969	79%	0.79	S	S	*	*				-141.2	97.5	128.9	-85.3	-178.6	0	0	0	110.2
85	D	27.6	Very low	27.3	Very low	167 Å²	167	154.1 Å²	154.1	89%	0.893	81%	0.808	S	S	*	*			trans	-72.5	138.5	169.6	-138.4	-1.5	0	0	0	110.2
86	G	26.9	Very low	27.4	Very low	72 Å²	72	155.3 Å²	155.3	74%	0.742	81%	0.809	S	S	*	*			trans	-170.5	75	-174.7	0	0	0	0	0	113.3
87	A	27.1	Very low	27.5	Very low	93 Å²	93	154.8 Å²	154.8	77%	0.769	81%	0.805	S	S	*	*			trans	-38.2	142.1	177.4	0	0	0	0	0	117.2
88	V	31	Very low	27.5	Very low	141 Å²	141	151 Å²	151	86%	0.855	80%	0.803	S	S	*	*				-157.8	114.1	126.9	168	0	0	0	0	110.3
89	D	30.1	Very low	27.6	Very low	149 Å²	149	147.9 Å²	147.9	80%	0.797	80%	0.8	S	S	*	*			trans	24.6	136.3	141	-149.5	5.8	0	0	0	122.6
90	G	29.5	Very low	27.9	Very low	76 Å²	76	145.2 Å²	145.2	78%	0.784	80%	0.795	S	S	*	*			trans	167.5	77.8	171.9	0	0	0	0	0	116
91	T	27.8	Very low	28.3	Very low	114 Å²	114	145.3 Å²	145.3	70%	0.699	80%	0.8	S	S	*	*			trans	-67.6	135.7	-179.3	-47.2	0	0	0	0	113.8
92	L	29	Very low	28.5	Very low	151 Å²	151	142.8 Å²	142.8	79%	0.791	80%	0.801	S	S	*	*				151	136.7	120.4	-80.8	173.8	0	0	0	117.1
93	R	29.6	Very low	28.7	Very low	242 Å²	242	140.3 Å²	140.3	91%	0.913	80%	0.802	S	S	*	*			trans	99.2	123.9	145.5	-82.6	-175.2	177.8	-125.1	1.5	121.5
94	R	30.1	Very low	28.9	Very low	227 Å²	227	141.2 Å²	141.2	86%	0.857	81%	0.806	S	S	*	*			trans	-90	144.2	172.1	-67	172.6	-113.9	121.2	-0.8	112.2
95	K	31.1	Very low	29.2	Very low	177 Å²	177	136 Å²	136	77%	0.77	80%	0.798	S	S	*	*				153.7	127.4	110.6	-89.5	-167.4	172.8	-175.1	0	114.2
96	L	27.7	Very low	29.4	Very low	146 Å²	146	133.1 Å²	133.1	76%	0.764	79%	0.79	S	S	*	*			trans	57.1	118.1	134.8	-60.5	171.7	0	0	0	123.6
97	S	26.3	Very low	29.9	Very low	97 Å²	97	135.7 Å²	135.7	68%	0.678	80%	0.797	S	S	*	*				62.6	116.2	129.9	-46.4	0	0	0	0	122.1
98	N	26.8	Very low	30	Very low	157 Å²	157	134.9 Å²	134.9	84%	0.84	79%	0.791	S	S	*	*				176.9	150.4	102.6	-103.3	7.4	0	0	0	112.3
99	S	27.2	Very low	30.1	Very low	103 Å²	103	135.1 Å²	135.1	72%	0.72	79%	0.792	S	S	*	*			trans	-59.8	147.1	176	45.6	0	0	0	0	115.6
100	S	28.9	Very low	30.1	Very low	110 Å²	110	136 Å²	136	77%	0.769	79%	0.791	S	S	*	*			trans	-175	124.8	130.1	-76.8	0	0	0	0	112.8
101	I	30.9	Very low	30.7	Very low	169 Å²	169	136 Å²	136	87%	0.867	78%	0.779	S	S	*	*			trans	5	119.5	145.3	49.7	160.9	0	0	0	119.6
102	S	28.8	Very low	31.1	Very low	118 Å²	118	138.9 Å²	138.9	83%	0.825	79%	0.785	S	S	*	*			trans	-157.9	129.2	139.6	56.9	0	0	0	0	110.9
103	S	31.6	Very low	31.4	Very low	112 Å²	112	137.6 Å²	137.6	78%	0.783	78%	0.779	S	S	*	*			trans	-48.4	139.2	167.6	-42.1	0	0	0	0	112.2
104	N	29.2	Very low	32.1	Very low	159 Å²	159	130.2 Å²	130.2	85%	0.85	76%	0.757	S	S	*	*			trans	-154.6	124	144.9	-108.4	19.6	0	0	0	108.2
105	G	36	Very low	32.1	Very low	76 Å²	76	127.7 Å²	127.7	78%	0.784	76%	0.76	S	S	*	*			trans	-61.3	145.1	166	0	0	0	0	0	109.9
106	S	30.8	Very low	32.1	Very low	106 Å²	106	127.4 Å²	127.4	74%	0.741	77%	0.766	S	S	*	*			trans	-145.8	100.3	163.9	-76	0	0	0	0	108.3	A108	S106-A108 PolarHBondContact O-N 3.22Å
107	S	38	Very low	32.3	Very low	127 Å²	127	123.7 Å²	123.7	89%	0.888	75%	0.752	S	S	*	*			trans	-49.5	110.6	144.9	51.5	0	0	0	0	108.7
108	A	30.1	Very low	32.8	Very low	76 Å²	76	120.5 Å²	120.5	63%	0.628	73%	0.727	S	S	*	*			trans	-139.4	82.9	168.1	0	0	0	0	0	107.7	S106	S106-A108 PolarHBondContact O-N 3.22Å
109	V	32.8	Very low	33	Very low	146 Å²	146	119.4 Å²	119.4	89%	0.885	73%	0.726	S	S	*	*			trans	-119.8	72.7	152.9	-70.3	0	0	0	0	106
110	E	30.5	Very low	33.4	Very low	168 Å²	168	119.5 Å²	119.5	79%	0.785	72%	0.715	S	S	*	*			trans	-71.6	118.3	162.2	-62.5	-171.8	142.4	0	0	105.9
111	S	42.1	Very low	33.4	Very low	75 Å²	75	119.2 Å²	119.2	52%	0.524	71%	0.709	S	S	.	*				84.5	68.4	64.8	-174.5	0	0	0	0	112.9
112	E	35.7	Very low	33.4	Very low	175 Å²	175	118.5 Å²	118.5	82%	0.818	70%	0.702	S	S	*	*			trans	-129.8	-5	170	-45	-75.3	137.5	0	0	113.6
113	D	36	Very low	33.6	Very low	124 Å²	124	116.6 Å²	116.6	66%	0.663	69%	0.689	S	S	*	*			trans	-89.9	110.8	177.1	-76.3	-28.9	0	0	0	109.9
114	D	43.8	Very low	33.5	Very low	87 Å²	87	119.1 Å²	119.1	47%	0.465	69%	0.686	S	S	.	*	S	Bend	trans	160	4.1	139.9	-78.9	-26.6	0	0	0	114.3	L116 K258	D114-L116 VanDerWaalsContact C-N 3.29Å; D114-L116 PolarHBondContact O-N 3.1Å; D114-K258 IonicContact OD2-NZ 2.75Å; D114-K258 PolarHBondContact OD2-NZ 3.48Å
115	L	29.8	Very low	33.5	Very low	173 Å²	173	115.4 Å²	115.4	91%	0.906	69%	0.685	S	S	*	*	S	Bend	trans	-80.1	-5.3	176.5	-70.5	-177.4	0	0	0	114.6
116	L	31	Very low	33	Very low	172 Å²	172	117.4 Å²	117.4	90%	0.901	68%	0.677	S	S	*	*	S	Bend	trans	-136	66.5	-179.3	-61.6	175.1	0	0	0	111.6	D114	D114-L116 VanDerWaalsContact C-N 3.29Å; D114-L116 PolarHBondContact O-N 3.1Å
117	S	32.8	Very low	32.9	Very low	67 Å²	67	118.7 Å²	118.7	47%	0.469	68%	0.68	S	S	.	*			trans	-148.9	137.5	160.2	69.2	0	0	0	0	112.6
118	D	36.9	Very low	32.3	Very low	30 Å²	30	117.3 Å²	117.3	16%	0.16	67%	0.667	C	S	.	*			trans	83.1	46.8	162.9	-45.5	-5.9	0	0	0	117.9	E120 H170 R260	D118-E120 PolarHBondContact O-N 2.89Å; D118-H170 IonicContact OD1-CE1 3.92Å; D118-H170 PolarHBondContact OD1-CE1 2.76Å; D118-H170 IonicContact OD1-NE2 2.77Å; D118-H170 PolarHBondContact OD1-NE2 2.74Å; D118-R260 IonicContact OD2-CZ 2.68Å; D118-R260 IonicContact OD2-NH1 3.52Å; D118-R260 PolarHBondContact OD2-NH1 3.37Å; D118-R260 IonicContact OD2-NH2 2.91Å; D118-R260 PolarHBondContact OD2-NH2 2.93Å; D118-R260 VanDerWaalsContact OD2-NH2 3.09Å
119	T	29.2	Very low	32.1	Very low	134 Å²	134	119.8 Å²	119.8	82%	0.822	67%	0.669	S	S	*	*			trans	-77	78.3	152.8	48.2	0	0	0	0	109.7	T121	T119-T121 PolarHBondContact O-N 2.61Å
120	E	36.1	Very low	31.7	Very low	105 Å²	105	121.1 Å²	121.1	49%	0.491	67%	0.665	S	S	.	*			trans	-67.4	79.7	159.4	-76.2	-137	125.2	0	0	109	D118 Q122 K266	D118-E120 PolarHBondContact O-N 2.89Å; E120-Q122 PolarHBondContact O-N 2.9Å; E120-K266 VanDerWaalsContact CB-NZ 3.32Å; E120-K266 VanDerWaalsContact CG-NZ 3.28Å; E120-K266 WeakPolarHBondContact OE2-CE 3.4Å; E120-K266 IonicContact OE2-NZ 3.59Å; E120-K266 PolarHBondContact OE2-NZ 3.11Å
121	T	29.2	Very low	31.4	Very low	104 Å²	104	120.5 Å²	120.5	64%	0.638	66%	0.662	S	S	*	*			trans	-63.5	124	160.8	49.2	0	0	0	0	107.1	T119 S123	T119-T121 PolarHBondContact O-N 2.61Å; T121-S123 PolarHBondContact O-N 2.96Å
122	Q	31.5	Very low	30.6	Very low	154 Å²	154	124.6 Å²	124.6	72%	0.72	68%	0.677	S	S	*	*			trans	-17.5	93.9	177.2	-68	176.7	-2.7	0	0	114.1	E120 K124	E120-Q122 PolarHBondContact O-N 2.9Å; Q122-K124 PolarHBondContact O-N 3.41Å
123	S	32	Very low	30.1	Very low	78 Å²	78	122 Å²	122	55%	0.545	67%	0.673	S	S	.	*			trans	-77.1	62	165.9	-60.3	0	0	0	0	109.2	T121 G125	T121-S123 PolarHBondContact O-N 2.96Å; S123-G125 PolarHBondContact O-N 3.28Å
124	K	29.5	Very low	29.6	Very low	165 Å²	165	121.6 Å²	121.6	72%	0.717	68%	0.678	S	S	*	*	S	Bend	trans	-60	116.7	140.7	-69.4	180	-179.7	176.5	0	103.2	Q122 L126	Q122-K124 PolarHBondContact O-N 3.41Å; K124-L126 VanDerWaalsContact C-N 3.31Å; K124-L126 WeakPolarHBondContact O-CB 3.13Å; K124-L126 PolarHBondContact O-N 3.08Å
125	G	29.5	Very low	28.7	Very low	81 Å²	81	121.8 Å²	121.8	84%	0.835	69%	0.693	S	S	*	*			trans	-42.6	97.1	-177.5	0	0	0	0	0	110.7	S123	S123-G125 PolarHBondContact O-N 3.28Å
126	L	26.6	Very low	28.5	Very low	118 Å²	118	122.4 Å²	122.4	62%	0.618	69%	0.691	S	S	*	*			trans	-100.7	108.5	-175.8	-161.3	147.7	0	0	0	104.2	K124 T128	K124-L126 VanDerWaalsContact C-N 3.31Å; K124-L126 WeakPolarHBondContact O-CB 3.13Å; K124-L126 PolarHBondContact O-N 3.08Å; L126-T128 HydrophobicContact CD2-CG2 3.48Å; L126-T128 VanDerWaalsContact CD2-CG2 3.48Å; L126-T128 PolarHBondContact O-N 3.39Å
127	V	28.3	Very low	28.3	Very low	134 Å²	134	120.6 Å²	120.6	81%	0.812	69%	0.687	S	S	*	*			trans	-63.7	89.7	170.1	179.7	0	0	0	0	106.6	L129	V127-L129 PolarHBondContact O-N 3.14Å
128	T	25.4	Very low	28	Very low	98 Å²	98	122.4 Å²	122.4	60%	0.601	70%	0.699	S	S	*	*			trans	-78.7	97.2	168.5	35.7	0	0	0	0	107.9	L126 E130	L126-T128 HydrophobicContact CD2-CG2 3.48Å; L126-T128 VanDerWaalsContact CD2-CG2 3.48Å; L126-T128 PolarHBondContact O-N 3.39Å; T128-E130 PolarHBondContact O-N 3.35Å
129	L	24.8	Very low	27.4	Very low	127 Å²	127	130 Å²	130	67%	0.665	73%	0.734	S	S	*	*			trans	-81	93.8	166.3	-170	80	0	0	0	107.5	V127 H131	V127-L129 PolarHBondContact O-N 3.14Å; L129-H131 PolarHBondContact O-N 3.23Å
130	E	24.5	Very low	27.6	Very low	175 Å²	175	128.4 Å²	128.4	82%	0.818	73%	0.728	S	S	*	*			trans	-72.1	97.4	168.7	-75	-172	171.1	0	0	109.1	T128 L132	T128-E130 PolarHBondContact O-N 3.35Å; E130-L132 PolarHBondContact O-N 2.91Å
131	H	24.6	Very low	27.3	Very low	154 Å²	154	132.6 Å²	132.6	71%	0.713	75%	0.745	S	S	*	*			trans	-72.2	101.3	158.8	-102.8	142.3	0	0	0	107.4	L129 V133	L129-H131 PolarHBondContact O-N 3.23Å; H131-V133 HydrophobicContact CB-CG2 4.3Å; H131-V133 PolarHBondContact O-N 3.25Å
132	L	26.4	Very low	27.6	Very low	162 Å²	162	131.8 Å²	131.8	85%	0.848	75%	0.749	S	S	*	*			trans	-65.9	89.1	157.9	-74.4	168.8	0	0	0	107.8	E130 C134	E130-L132 PolarHBondContact O-N 2.91Å; L132-C134 PolarHBondContact O-N 3.4Å
133	V	23.9	Very low	27.5	Very low	120 Å²	120	136.1 Å²	136.1	73%	0.727	76%	0.758	S	S	*	*			trans	-71.4	104.8	161.5	-178.5	0	0	0	0	105.5	H131 A135	H131-V133 HydrophobicContact CB-CG2 4.3Å; H131-V133 PolarHBondContact O-N 3.25Å; V133-A135 PolarHBondContact O-N 3.49Å; V133-A135 VanDerWaalsContact O-N 3.08Å
134	C	26.4	Very low	27.8	Very low	115 Å²	115	142.2 Å²	142.2	78%	0.777	78%	0.775	S	S	*	*			trans	-57.7	116	160.4	-84	0	0	0	0	107.3	L132 E136	L132-C134 PolarHBondContact O-N 3.4Å; C134-E136 PolarHBondContact O-N 2.89Å
135	A	25.1	Very low	28.7	Very low	92 Å²	92	143.3 Å²	143.3	76%	0.76	78%	0.78	S	S	*	*			trans	-60.8	98.8	168.5	0	0	0	0	0	108.6	V133 V137	V133-A135 PolarHBondContact O-N 3.49Å; V133-A135 VanDerWaalsContact O-N 3.08Å; A135-V137 PolarHBondContact O-N 3.35Å
136	E	24.6	Very low	29	Very low	185 Å²	185	146.6 Å²	146.6	86%	0.864	78%	0.778	S	S	*	*			trans	-75.8	100.8	163.3	-72.5	-165.2	161.5	0	0	107.9	C134 S138	C134-E136 PolarHBondContact O-N 2.89Å; E136-S138 PolarHBondContact O-N 3.23Å
137	V	27.7	Very low	29.3	Very low	135 Å²	135	151.2 Å²	151.2	82%	0.818	79%	0.793	S	S	*	*			trans	-66.3	117.6	160.9	178.3	0	0	0	0	107.1	A135 E139	A135-V137 PolarHBondContact O-N 3.35Å; V137-E139 PolarHBondContact O-N 2.99Å
138	S	26	Very low	29.6	Very low	104 Å²	104	150.1 Å²	150.1	73%	0.727	79%	0.786	S	S	*	*			trans	-57.8	113.9	173.7	149.2	0	0	0	0	111.1	E136	E136-S138 PolarHBondContact O-N 3.23Å
139	E	25	Very low	30.1	Very low	190 Å²	190	155.9 Å²	155.9	89%	0.888	80%	0.798	S	S	*	*			trans	-136.6	127.5	140.6	-78.6	-162	157.6	0	0	110.8	V137	V137-E139 PolarHBondContact O-N 2.99Å
140	S	32.3	Very low	30.7	Very low	101 Å²	101	157 Å²	157	71%	0.706	80%	0.804	S	S	*	*			trans	-94.7	130.8	-179.2	42.7	0	0	0	0	109.8
141	K	29.8	Very low	31	Very low	193 Å²	193	160.5 Å²	160.5	84%	0.839	81%	0.809	S	S	*	*				170.3	125.4	124.8	-91.2	161.7	-174	176.2	0	113.7
142	A	36.1	Very low	31.4	Very low	87 Å²	87	162 Å²	162	72%	0.719	81%	0.809	S	S	*	*			trans	63.2	69.8	131.3	0	0	0	0	0	120.4
143	W	29.7	Very low	31.6	Very low	244 Å²	244	160.2 Å²	160.2	92%	0.924	81%	0.807	S	S	*	*			trans	-137.5	57.3	147.7	-69.3	82.6	0	0	0	111.2	K145	W143-K145 PolarHBondContact O-N 2.94Å
144	K	38.4	Very low	32.2	Very low	206 Å²	206	160.9 Å²	160.9	90%	0.896	81%	0.806	S	S	*	*			trans	-72.4	116.1	154.4	-78.7	-178.5	179	175.3	0	106.6
145	K	47.8	Very low	32.8	Very low	189 Å²	189	164.5 Å²	164.5	82%	0.822	81%	0.811	S	S	*	*			trans	113.6	76.1	168.4	-62	-179.8	-177.9	-172.2	0	114.7	W143	W143-K145 PolarHBondContact O-N 2.94Å
146	L	35.3	Very low	33.2	Very low	150 Å²	150	163.8 Å²	163.8	79%	0.785	81%	0.806	S	S	*	*			trans	-162.4	84.7	134.6	-127.2	110.1	0	0	0	109.2
147	K	32.7	Very low	33.8	Very low	215 Å²	215	160.3 Å²	160.3	94%	0.935	80%	0.802	S	S	*	*			trans	-107.2	79.3	160	-89.7	-172.8	175.9	-179.3	0	107.3
148	T	34.8	Very low	34.2	Very low	111 Å²	111	161.6 Å²	161.6	68%	0.681	80%	0.799	S	S	*	*			trans	-83.3	133.2	164.7	-49.2	0	0	0	0	107.6	I150	T148-I150 PolarHBondContact O-N 2.74Å
149	Y	36.3	Very low	34.8	Very low	218 Å²	218	166.4 Å²	166.4	86%	0.855	81%	0.806	S	S	*	*			trans	-45.1	118.5	179.8	-85.4	-109.4	0	0	0	114.2
150	I	38.1	Very low	35.9	Very low	151 Å²	151	163.9 Å²	163.9	77%	0.774	79%	0.793	S	S	*	*			trans	-133.7	107.8	150.3	-59.3	-179.3	0	0	0	107.2	T148 W152	T148-I150 PolarHBondContact O-N 2.74Å; I150-W152 PolarHBondContact O-N 3.2Å
151	R	30.3	Very low	36.2	Very low	248 Å²	248	166.6 Å²	166.6	94%	0.936	79%	0.792	S	S	*	*			trans	-84.2	95.4	173.9	-169	-176.7	-162.9	-149.6	4.8	107.5
152	W	31.7	Very low	37	Very low	187 Å²	187	159.6 Å²	159.6	71%	0.708	77%	0.765	S	S	*	*			trans	-105.6	125.5	172.4	-167.2	-83	0	0	0	109.4	I150 L154	I150-W152 PolarHBondContact O-N 3.2Å; W152-L154 VanDerWaalsContact C-N 3.29Å; W152-L154 VanDerWaalsContact CD1-CG 3.49Å; W152-L154 HydrophobicContact CG-CD1 4.36Å; W152-L154 PolarHBondContact O-N 3.06Å; W152-L154 VanDerWaalsContact O-N 3.11Å
153	P	31.7	Very low	37.5	Very low	124 Å²	124	158.6 Å²	158.6	81%	0.805	75%	0.748	S	S	*	*			trans	-85.5	77.1	172.6	34.5	-27.5	0	0	0	108.2	Q155	P153-Q155 PolarHBondContact O-N 3.37Å
154	L	36	Very low	38.8	Very low	133 Å²	133	152.4 Å²	152.4	70%	0.696	72%	0.724	S	S	*	*			trans	-87.9	106.8	165.4	-114	145.8	0	0	0	105.2	W152 A156	W152-L154 VanDerWaalsContact C-N 3.29Å; W152-L154 VanDerWaalsContact CD1-CG 3.49Å; W152-L154 HydrophobicContact CG-CD1 4.36Å; W152-L154 PolarHBondContact O-N 3.06Å; W152-L154 VanDerWaalsContact O-N 3.11Å; L154-A156 PolarHBondContact O-N 3.41Å
155	Q	39.3	Very low	39.4	Very low	191 Å²	191	144.6 Å²	144.6	89%	0.893	69%	0.694	S	S	*	*			trans	-63.7	83.8	164.3	-139.1	170.7	-8	0	0	106.1	P153 S157	P153-Q155 PolarHBondContact O-N 3.37Å; Q155-S157 VanDerWaalsContact C-N 3.34Å; Q155-S157 PolarHBondContact O-N 3.27Å
156	A	33.9	Very low	40.1	Very low	78 Å²	78	138.6 Å²	138.6	65%	0.645	67%	0.669	S	S	*	*			trans	-66.8	101.4	169.7	0	0	0	0	0	105.7	L154 Q158	L154-A156 PolarHBondContact O-N 3.41Å; A156-Q158 VanDerWaalsContact C-N 3.34Å; A156-Q158 PolarHBondContact O-N 2.85Å
157	S	36.9	Very low	41.1	Very low	112 Å²	112	131.8 Å²	131.8	78%	0.783	63%	0.633	S	S	*	*			trans	-52.9	105.6	165.4	-67.1	0	0	0	0	106.6	Q155 K159	Q155-S157 VanDerWaalsContact C-N 3.34Å; Q155-S157 PolarHBondContact O-N 3.27Å; S157-K159 PolarHBondContact O-N 3.2Å
158	Q	36.1	Very low	42.1	Very low	162 Å²	162	122.5 Å²	122.5	76%	0.757	60%	0.597	S	S	*	*			trans	-61.7	109.2	175.4	-70.3	-160.8	-38	0	0	106.3	A156 K160	A156-Q158 VanDerWaalsContact C-N 3.34Å; A156-Q158 PolarHBondContact O-N 2.85Å; Q158-K160 PolarHBondContact O-N 2.95Å
159	K	39.7	Very low	43.2	Very low	204 Å²	204	118.6 Å²	118.6	89%	0.887	58%	0.578	S	S	*	*			trans	-56.3	106.7	172.2	-69	-174.1	177.6	-174.6	0	106.5	S157 K161	S157-K159 PolarHBondContact O-N 3.2Å; K159-K161 PolarHBondContact O-N 3.09Å; K159-K161 VanDerWaalsContact O-N 3.17Å
160	K	46.6	Very low	44.2	Very low	138 Å²	138	111 Å²	111	60%	0.6	55%	0.55	S	S	*	*	P	Polyproline II helix	trans	-57.4	122.6	176	-74.8	177.2	-179.4	167	0	106.9	V63 Q158 V162	V63-K160 HydrophobicContact CG2-CD 4.29Å; Q158-K160 PolarHBondContact O-N 2.95Å; K160-V162 PolarHBondContact O-N 3.1Å
161	K	40.1	Very low	45.3	Very low	158 Å²	158	110 Å²	110	69%	0.687	54%	0.54	S	S	*	.	P	Polyproline II helix	trans	-62.3	121.4	171	-82.8	178.9	178.3	-178.9	0	107.5	L62 K159	L62-K161 HydrophobicContact CD2-CB 3.41Å; L62-K161 VanDerWaalsContact CD2-CB 3.41Å; L62-K161 HydrophobicContact CD2-CD 3.77Å; L62-K161 HydrophobicContact CD2-CG 4.18Å; K159-K161 PolarHBondContact O-N 3.09Å; K159-K161 VanDerWaalsContact O-N 3.17Å
162	V	46.1	Very low	47.2	Very low	46 Å²	46	100.8 Å²	100.8	28%	0.279	52%	0.523	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	120	-177.9	-174.9	0	0	0	0	109.2	Q65 K160 W164	Q65-V162 HydrophobicContact CB-CG1 3.56Å; Q65-V162 HydrophobicContact CG-CG1 3.7Å; K160-V162 PolarHBondContact O-N 3.1Å; V162-W164 HydrophobicContact CB-CZ2 3.65Å; V162-W164 HydrophobicContact CG1-CD2 3.74Å; V162-W164 HydrophobicContact CG1-CE3 4.27Å; V162-W164 HydrophobicContact CG1-CG 4.21Å; V162-W164 HydrophobicContact CG1-CH2 3.84Å; V162-W164 HydrophobicContact CG1-CZ2 3.26Å; V162-W164 HydrophobicContact CG1-CZ3 4.33Å; V162-W164 HydrophobicContact CG2-CZ2 4.05Å; V162-W164 PolarHBondContact O-NE1 2.86Å
163	N	47	Very low	49.5	Very low	66 Å²	66	92.5 Å²	92.5	35%	0.353	49%	0.492	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	109.4	170.3	-77.2	-22	0	0	0	109.3	V63 P64 Q65	V63-N163 PolarHBondContact O-N 2.9Å; V63-N163 VanDerWaalsContact O-N 3.13Å; P64-N163 CarbonylContact C-O 3.58Å; P64-N163 VanDerWaalsContact C-O 3.23Å; P64-N163 WeakPolarHBondContact CA-O 3.45Å; P64-N163 HydrophobicContact CB-CB 3.92Å; P64-N163 HydrophobicContact CG-CB 4.48Å; Q65-N163 PolarHBondContact N-O 2.85Å
164	W	56.4	Low	52.1	Low	113 Å²	113	88 Å²	88	43%	0.428	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	137.5	-174.2	-58.3	88.4	0	0	0	112.1	Q65 V162 A176 I182	Q65-W164 HydrophobicContact CB-CE3 4.48Å; Q65-W164 HydrophobicContact CB-CZ3 4.38Å; Q65-W164 CarbonylContact O-C 3.57Å; Q65-W164 VanDerWaalsContact O-CA 3.24Å; Q65-W164 WeakPolarHBondContact O-CA 3Å; V162-W164 HydrophobicContact CB-CZ2 3.65Å; V162-W164 HydrophobicContact CG1-CD2 3.74Å; V162-W164 HydrophobicContact CG1-CE3 4.27Å; V162-W164 HydrophobicContact CG1-CG 4.21Å; V162-W164 HydrophobicContact CG1-CH2 3.84Å; V162-W164 HydrophobicContact CG1-CZ2 3.26Å; V162-W164 HydrophobicContact CG1-CZ3 4.33Å; V162-W164 HydrophobicContact CG2-CZ2 4.05Å; V162-W164 PolarHBondContact O-NE1 2.86Å; W164-A176 HydrophobicContact CH2-CB 3.31Å; W164-A176 HydrophobicContact CZ2-CB 3.1Å; W164-I182 HydrophobicContact CZ3-CD1 4.22Å
165	V	51.6	Low	54.4	Low	43 Å²	43	84.2 Å²	84.2	26%	0.261	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	126.2	164.5	178.5	0	0	0	0	110.3	Q65 V66 T67 K311	Q65-V165 PolarHBondContact O-N 3.01Å; V66-V165 CarbonylContact C-O 3.54Å; V66-V165 WeakPolarHBondContact CA-O 3.38Å; V66-V165 HydrophobicContact CB-CB 4.46Å; V66-V165 HydrophobicContact CG1-CB 4.03Å; V66-V165 HydrophobicContact CG1-CG1 4.25Å; V66-V165 WeakPolarHBondContact CG1-O 3.46Å; V66-V165 HydrophobicContact CG2-CB 4.21Å; T67-V165 PolarHBondContact N-O 3.13Å; V165-K311 HydrophobicContact CB-CD 3.91Å; V165-K311 VanDerWaalsContact CB-NZ 3.35Å; V165-K311 HydrophobicContact CG1-CD 3.71Å; V165-K311 HydrophobicContact CG2-CD 4.29Å
166	Q	61	Low	56.4	Low	63 Å²	63	77.5 Å²	77.5	29%	0.294	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	122.7	176.3	-171.2	172.3	-22.6	0	0	109.7	T67 T69 A168 G169 H170	T67-Q166 VanDerWaalsContact O-CA 3.28Å; T67-Q166 WeakPolarHBondContact O-CA 3.27Å; T69-Q166 HydrophobicContact CG2-CG 3.49Å; T69-Q166 VanDerWaalsContact CG2-CG 3.49Å; T69-Q166 PolarHBondContact OG1-NE2 3.48Å; Q166-A168 VanDerWaalsContact CG-O 3.31Å; Q166-A168 WeakPolarHBondContact CG-O 3.42Å; Q166-A168 PolarHBondContact NE2-O 2.82Å; Q166-G169 PolarHBondContact NE2-O 3.38Å; Q166-H170 PolarHBondContact NE2-O 3.28Å; Q166-H170 PolarHBondContact OE1-O 2.85Å
167	L	56.4	Low	58.8	Low	6 Å²	6	75.6 Å²	75.6	3%	0.031	40%	0.399	C	S	.	.			trans	-81.3	-37.8	-176.8	-85.3	179	0	0	0	113.9	V66 T67 I68 V235 K311 T319	V66-L167 HydrophobicContact CG1-CD1 4.25Å; V66-L167 HydrophobicContact CG1-CG 3.96Å; T67-L167 PolarHBondContact O-N 2.84Å; I68-L167 HydrophobicContact CD1-CB 4.36Å; I68-L167 HydrophobicContact CD1-CD1 3.58Å; I68-L167 HydrophobicContact CG1-CB 4.22Å; I68-L167 HydrophobicContact CG1-CD1 4.02Å; L167-V235 HydrophobicContact CD1-CB 3.8Å; L167-V235 HydrophobicContact CD1-CG1 3.36Å; L167-K311 HydrophobicContact CD1-CB 4.47Å; L167-K311 HydrophobicContact CD2-CB 3.55Å; L167-K311 HydrophobicContact CG-CB 4.3Å; L167-T319 WeakPolarHBondContact O-CG2 3.4Å
168	A	54.2	Low	60.9	Low	21 Å²	21	77.6 Å²	77.6	17%	0.174	40%	0.396	C	S	.	.	S	Bend	trans	-148.4	167.9	-177.9	0	0	0	0	0	110.3	T69 Q166	T69-A168 WeakPolarHBondContact CB-O 3.47Å; T69-A168 WeakPolarHBondContact CG2-O 3.35Å; T69-A168 VanDerWaalsContact OG1-C 3.29Å; T69-A168 PolarHBondContact OG1-O 3.25Å; Q166-A168 VanDerWaalsContact CG-O 3.31Å; Q166-A168 WeakPolarHBondContact CG-O 3.42Å; Q166-A168 PolarHBondContact NE2-O 2.82Å
169	G	57.8	Low	63.1	Low	28 Å²	28	78.8 Å²	78.8	29%	0.289	40%	0.402	S	S	.	.	S	Bend	trans	69.5	-166.6	175.5	0	0	0	0	0	116.5	T69 Q166	T69-G169 VanDerWaalsContact OG1-C 3.28Å; T69-G169 WeakPolarHBondContact OG1-CA 3.45Å; T69-G169 PolarHBondContact OG1-N 3.3Å; Q166-G169 PolarHBondContact NE2-O 3.38Å
170	H	56.9	Low	65.2	Low	60 Å²	60	70.1 Å²	70.1	28%	0.278	37%	0.37	S	S	.	.			trans	-80.6	137.3	-164	-64.4	173	0	0	0	114.3	T69 D118 Q166 G172 N173	T69-H170 PolarHBondContact OG1-N 3.26Å; D118-H170 IonicContact OD1-CE1 3.92Å; D118-H170 PolarHBondContact OD1-CE1 2.76Å; D118-H170 IonicContact OD1-NE2 2.77Å; D118-H170 PolarHBondContact OD1-NE2 2.74Å; Q166-H170 PolarHBondContact NE2-O 3.28Å; Q166-H170 PolarHBondContact OE1-O 2.85Å; H170-G172 PolarHBondContact O-N 2.69Å; H170-N173 WeakPolarHBondContact O-CB 3.47Å; H170-N173 PolarHBondContact O-N 3.05Å
171	K	62.5	Low	67.3	Low	129 Å²	129	64.2 Å²	64.2	56%	0.561	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	137.9	173.7	-67.8	-174.3	179.8	-177.3	0	110.7
172	G	70.4	Confident	69.8	Low	55 Å²	55	57.1 Å²	57.1	57%	0.567	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.3	0.6	177.4	0	0	0	0	0	115	H170 F174	H170-G172 PolarHBondContact O-N 2.69Å; G172-F174 PolarHBondContact O-N 2.88Å
173	N	80.1	Confident	71.9	Confident	12 Å²	12	55.5 Å²	55.5	6%	0.064	31%	0.305	C	S	.	.	S	Bend	trans	-75.9	-12.3	179.4	-129.1	15.8	0	0	0	113.8	S70 H170 K184 K185	S70-N173 PolarHBondContact O-ND2 3.04Å; H170-N173 WeakPolarHBondContact O-CB 3.47Å; H170-N173 PolarHBondContact O-N 3.05Å; N173-K184 CarbonylContact O-C 3.43Å; N173-K184 WeakPolarHBondContact O-CA 3.32Å; N173-K185 PolarHBondContact O-N 2.9Å; N173-K185 WeakPolarHBondContact OD1-CB 3.14Å
174	F	84.3	Confident	74	Confident	30 Å²	30	52.5 Å²	52.5	13%	0.132	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	144.1	-179.6	-74.8	-103.2	0	0	0	111.9	T67 I68 T69 G172 I182 L183 K184	T67-F174 HydrophobicContact CG2-CB 3.72Å; T67-F174 HydrophobicContact CG2-CD1 3.07Å; T67-F174 HydrophobicContact CG2-CD2 3.88Å; T67-F174 HydrophobicContact CG2-CE1 3.4Å; T67-F174 VanDerWaalsContact CG2-CE1 3.4Å; T67-F174 HydrophobicContact CG2-CE2 4.25Å; T67-F174 HydrophobicContact CG2-CG 3.26Å; T67-F174 HydrophobicContact CG2-CZ 3.98Å; I68-F174 WeakPolarHBondContact O-CE2 3.29Å; I68-F174 WeakPolarHBondContact O-CZ 3.4Å; T69-F174 VanDerWaalsContact CA-CE2 3.4Å; T69-F174 HydrophobicContact CG2-CD2 3.15Å; T69-F174 HydrophobicContact CG2-CE2 3.15Å; T69-F174 HydrophobicContact CG2-CG 4.21Å; T69-F174 HydrophobicContact CG2-CZ 4.11Å; G172-F174 PolarHBondContact O-N 2.88Å; F174-I182 HydrophobicContact CD1-CD1 3.78Å; F174-I182 HydrophobicContact CD1-CG1 3.98Å; F174-I182 HydrophobicContact CE1-CD1 4.46Å; F174-L183 CarbonylContact C-O 3.41Å; F174-L183 WeakPolarHBondContact CA-O 3.45Å; F174-L183 WeakPolarHBondContact CD1-O 3.3Å; F174-K184 HydrophobicContact CD1-CB 3.92Å; F174-K184 HydrophobicContact CD1-CG 4.25Å; F174-K184 HydrophobicContact CD2-CG 4.37Å; F174-K184 HydrophobicContact CE1-CB 3.6Å; F174-K184 HydrophobicContact CE1-CD 3.83Å; F174-K184 HydrophobicContact CE1-CG 3.71Å; F174-K184 HydrophobicContact CE2-CB 4.37Å; F174-K184 HydrophobicContact CE2-CD 3.98Å; F174-K184 HydrophobicContact CE2-CG 3.68Å; F174-K184 HydrophobicContact CZ-CB 3.88Å; F174-K184 HydrophobicContact CZ-CD 3.35Å; F174-K184 VanDerWaalsContact CZ-CE 3.46Å; F174-K184 HydrophobicContact CZ-CG 3.42Å; F174-K184 VanDerWaalsContact CZ-CG 3.42Å
175	K	85	Confident	75.7	Confident	53 Å²	53	49.4 Å²	49.4	23%	0.23	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	150.6	175	-61.9	-177.6	-176.4	174	0	109.7	L183 E218 F220	K175-L183 HydrophobicContact CB-CB 4.07Å; K175-L183 HydrophobicContact CB-CD1 4.2Å; K175-L183 PolarHBondContact N-O 3.11Å; K175-L183 WeakPolarHBondContact O-CB 3.28Å; K175-L183 PolarHBondContact O-N 2.93Å; K175-E218 IonicContact NZ-OE2 2.66Å; K175-E218 PolarHBondContact NZ-OE2 3.44Å; K175-F220 HydrophobicContact CD-CE1 3.78Å; K175-F220 HydrophobicContact CD-CE2 4.09Å; K175-F220 HydrophobicContact CD-CZ 3.54Å; K175-F220 HydrophobicContact CG-CE1 4.04Å; K175-F220 HydrophobicContact CG-CZ 4.31Å
176	A	82	Confident	77.6	Confident	51 Å²	51	48.9 Å²	48.9	42%	0.421	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	140.1	169.2	0	0	0	0	0	110.6	W164	W164-A176 HydrophobicContact CH2-CB 3.31Å; W164-A176 HydrophobicContact CZ2-CB 3.1Å
177	A	83.6	Confident	79.1	Confident	37 Å²	37	46.4 Å²	46.4	31%	0.306	26%	0.264	S	S	.	.			trans	-117	-160.6	163.1	0	0	0	0	0	110.4	T181 L183	A177-T181 WeakPolarHBondContact CB-OG1 3.38Å; A177-L183 HydrophobicContact CB-CD1 4.3Å; A177-L183 HydrophobicContact CB-CD2 3.76Å; A177-L183 HydrophobicContact CB-CG 3.68Å
178	E	81.5	Confident	80.8	Confident	155 Å²	155	51 Å²	51	72%	0.724	29%	0.285	S	S	*	.	S	Bend	trans	-58.1	162.5	173.3	-59.5	-174.6	172	0	0	111.9	G180 T181	E178-G180 PolarHBondContact O-N 3.22Å; E178-G180 VanDerWaalsContact O-N 3.16Å; E178-T181 PolarHBondContact N-OG1 2.89Å; E178-T181 PolarHBondContact O-N 2.84Å; E178-T181 PolarHBondContact O-OG1 2.81Å
179	E	81	Confident	82.6	Confident	186 Å²	186	52.5 Å²	52.5	87%	0.869	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	122	-174.2	-172.5	169.2	-161	0	0	111.8
180	G	85.3	Confident	84.3	Confident	22 Å²	22	51.1 Å²	51.1	23%	0.227	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	87.3	5.2	-179.4	0	0	0	0	0	115.4	E178 D225	E178-G180 PolarHBondContact O-N 3.22Å; E178-G180 VanDerWaalsContact O-N 3.16Å; G180-D225 PolarHBondContact O-N 2.98Å
181	T	90.3	Very high	86.1	Confident	15 Å²	15	50.6 Å²	50.6	9%	0.092	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	157.8	-179.1	69.5	0	0	0	0	112.3	A177 E178 Q210 Q222 M223	A177-T181 WeakPolarHBondContact CB-OG1 3.38Å; E178-T181 PolarHBondContact N-OG1 2.89Å; E178-T181 PolarHBondContact O-N 2.84Å; E178-T181 PolarHBondContact O-OG1 2.81Å; T181-Q210 VanDerWaalsContact CG2-NE2 3.29Å; T181-Q222 PolarHBondContact OG1-NE2 2.9Å; T181-M223 CarbonylContact C-O 3.53Å; T181-M223 WeakPolarHBondContact CA-O 3.22Å
182	I	91.6	Very high	87.7	Confident	9 Å²	9	50.2 Å²	50.2	5%	0.046	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	146.5	179.1	-160.6	167.4	0	0	0	111.3	T67 W164 F174 Q222 M223 D225	T67-I182 HydrophobicContact CG2-CD1 3.25Å; T67-I182 HydrophobicContact CG2-CG1 4.48Å; T67-I182 WeakPolarHBondContact OG1-CD1 3.41Å; W164-I182 HydrophobicContact CZ3-CD1 4.22Å; F174-I182 HydrophobicContact CD1-CD1 3.78Å; F174-I182 HydrophobicContact CD1-CG1 3.98Å; F174-I182 HydrophobicContact CE1-CD1 4.46Å; I182-Q222 WeakPolarHBondContact O-CA 3.26Å; I182-M223 HydrophobicContact CG2-CG 3.59Å; I182-M223 PolarHBondContact N-O 3.1Å; I182-M223 PolarHBondContact O-N 3.15Å; I182-D225 HydrophobicContact CB-CB 4.32Å
183	L	91.5	Very high	88.9	Confident	11 Å²	11	47.6 Å²	47.6	6%	0.058	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	131.4	176.1	-56.9	-177	0	0	0	109.4	F174 K175 A177 V213 F220 Q222	F174-L183 CarbonylContact C-O 3.41Å; F174-L183 WeakPolarHBondContact CA-O 3.45Å; F174-L183 WeakPolarHBondContact CD1-O 3.3Å; K175-L183 HydrophobicContact CB-CB 4.07Å; K175-L183 HydrophobicContact CB-CD1 4.2Å; K175-L183 PolarHBondContact N-O 3.11Å; K175-L183 WeakPolarHBondContact O-CB 3.28Å; K175-L183 PolarHBondContact O-N 2.93Å; A177-L183 HydrophobicContact CB-CD1 4.3Å; A177-L183 HydrophobicContact CB-CD2 3.76Å; A177-L183 HydrophobicContact CB-CG 3.68Å; L183-V213 HydrophobicContact CD2-CG2 3.68Å; L183-F220 HydrophobicContact CB-CB 3.8Å; L183-F220 HydrophobicContact CB-CD1 3.88Å; L183-F220 HydrophobicContact CB-CG 3.93Å; L183-F220 HydrophobicContact CD1-CB 4.45Å; L183-F220 HydrophobicContact CD1-CG 4.36Å; L183-F220 HydrophobicContact CD2-CB 4.23Å; L183-F220 HydrophobicContact CG-CB 4.36Å; L183-Q222 HydrophobicContact CD2-CB 3.91Å; L183-Q222 HydrophobicContact CD2-CG 3.95Å
184	K	91.8	Very high	89.8	Confident	3 Å²	3	47.2 Å²	47.2	1%	0.013	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	134.3	171.4	-176.4	176.4	-168.2	177.8	0	109.1	S70 N173 F174 L186 E190 F220 V221 M223 D390	S70-K184 VanDerWaalsContact CB-NZ 3.26Å; S70-K184 WeakPolarHBondContact OG-CE 3.29Å; S70-K184 PolarHBondContact OG-NZ 2.96Å; N173-K184 CarbonylContact O-C 3.43Å; N173-K184 WeakPolarHBondContact O-CA 3.32Å; F174-K184 HydrophobicContact CD1-CB 3.92Å; F174-K184 HydrophobicContact CD1-CG 4.25Å; F174-K184 HydrophobicContact CD2-CG 4.37Å; F174-K184 HydrophobicContact CE1-CB 3.6Å; F174-K184 HydrophobicContact CE1-CD 3.83Å; F174-K184 HydrophobicContact CE1-CG 3.71Å; F174-K184 HydrophobicContact CE2-CB 4.37Å; F174-K184 HydrophobicContact CE2-CD 3.98Å; F174-K184 HydrophobicContact CE2-CG 3.68Å; F174-K184 HydrophobicContact CZ-CB 3.88Å; F174-K184 HydrophobicContact CZ-CD 3.35Å; F174-K184 VanDerWaalsContact CZ-CE 3.46Å; F174-K184 HydrophobicContact CZ-CG 3.42Å; F174-K184 VanDerWaalsContact CZ-CG 3.42Å; K184-L186 PolarHBondContact O-N 3.31Å; K184-E190 VanDerWaalsContact CD-OE2 3.26Å; K184-E190 WeakPolarHBondContact CD-OE2 3.27Å; K184-E190 WeakPolarHBondContact CE-OE2 3.33Å; K184-E190 IonicContact NZ-OE1 3.27Å; K184-E190 PolarHBondContact NZ-OE1 2.93Å; K184-E190 IonicContact NZ-OE2 2.63Å; K184-E190 PolarHBondContact NZ-OE2 3.22Å; K184-F220 CarbonylContact O-C 3.41Å; K184-F220 WeakPolarHBondContact O-CA 3.48Å; K184-F220 WeakPolarHBondContact O-CB 3.47Å; K184-V221 PolarHBondContact N-O 3.47Å; K184-V221 PolarHBondContact O-N 3.15Å; K184-M223 HydrophobicContact CB-CE 3.68Å; K184-M223 HydrophobicContact CD-CE 3.76Å; K184-M223 HydrophobicContact CG-CE 4.41Å; K184-D390 IonicContact NZ-OD1 3.58Å; K184-D390 PolarHBondContact NZ-OD1 2.74Å
185	K	91.7	Very high	90.3	Very high	49 Å²	49	49.5 Å²	49.5	21%	0.213	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-52.9	135.9	-179.8	-171.4	164	177.6	149.2	0	110.1	N173 S187 E218 F220	N173-K185 PolarHBondContact O-N 2.9Å; N173-K185 WeakPolarHBondContact OD1-CB 3.14Å; K185-S187 PolarHBondContact O-N 2.94Å; K185-E218 IonicContact NZ-OE1 2.76Å; K185-E218 PolarHBondContact NZ-OE1 2.79Å; K185-F220 HydrophobicContact CB-CD1 4.45Å; K185-F220 HydrophobicContact CB-CE1 4.25Å
186	L	91.2	Very high	90.9	Very high	31 Å²	31	51 Å²	51	16%	0.162	26%	0.264	C	S	.	.			trans	-61.6	124.9	-173.7	176.3	63	0	0	0	111.3	K184 K191 I212 F219 V221	K184-L186 PolarHBondContact O-N 3.31Å; L186-K191 HydrophobicContact CD1-CB 3.87Å; L186-K191 HydrophobicContact CD1-CD 4.08Å; L186-K191 HydrophobicContact CD1-CG 4.45Å; L186-I212 HydrophobicContact CD1-CD1 3.75Å; L186-F219 HydrophobicContact CB-CB 3.89Å; L186-F219 WeakPolarHBondContact CB-O 3.47Å; L186-F219 HydrophobicContact CD2-CB 3.61Å; L186-F219 HydrophobicContact CD2-CG 4.36Å; L186-F219 HydrophobicContact CG-CB 4.41Å; L186-F219 PolarHBondContact N-O 3.24Å; L186-V221 HydrophobicContact CD1-CG2 3.79Å
187	S	91.3	Very high	91.6	Very high	12 Å²	12	48.6 Å²	48.6	8%	0.084	24%	0.244	C	C	.	.			trans	-115	122.4	158	168.1	0	0	0	0	107.4	A72 K185 N189 E190 K191	A72-S187 VanDerWaalsContact CB-CB 3.49Å; K185-S187 PolarHBondContact O-N 2.94Å; S187-N189 PolarHBondContact O-N 2.85Å; S187-E190 PolarHBondContact O-N 2.83Å; S187-E190 VanDerWaalsContact O-N 3.16Å; S187-E190 PolarHBondContact OG-N 3.16Å; S187-K191 WeakPolarHBondContact O-CB 3.45Å; S187-K191 PolarHBondContact O-N 3.25Å
188	E	92.5	Very high	92.2	Very high	102 Å²	102	51.4 Å²	51.4	48%	0.477	25%	0.251	S	S	.	.	H	α-helix	trans	-57.9	-34.1	178.5	-76.9	-61.5	158.5	0	0	112	K191 K192	E188-K191 IonicContact OE2-NZ 3.81Å; E188-K192 VanDerWaalsContact O-CG 3.32Å; E188-K192 WeakPolarHBondContact O-CG 3.32Å; E188-K192 PolarHBondContact O-N 2.78Å; E188-K192 VanDerWaalsContact O-N 3.14Å
189	N	91.7	Very high	92.8	Very high	52 Å²	52	51.5 Å²	51.5	28%	0.278	26%	0.256	S	S	.	.	H	α-helix	trans	-69.3	-44.8	178.2	-168.8	56.9	0	0	0	111.7	S187 K192 C193 F391 G392 T394	S187-N189 PolarHBondContact O-N 2.85Å; N189-K192 PolarHBondContact O-N 2.96Å; N189-C193 PolarHBondContact O-N 3.09Å; N189-C193 VanDerWaalsContact O-N 3.08Å; N189-C193 PolarHBondContact O-SG 3.45Å; N189-F391 PolarHBondContact ND2-O 3.1Å; N189-G392 PolarHBondContact ND2-O 3.06Å; N189-T394 PolarHBondContact ND2-N 2.94Å; N189-T394 PolarHBondContact ND2-O 3.33Å; N189-T394 PolarHBondContact OD1-O 2.89Å
190	E	93.3	Very high	93.6	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-67.5	-38.6	177.8	-176.7	156.2	-133.9	0	0	112.5	K184 S187 C193 F194 D390 F391	K184-E190 VanDerWaalsContact CD-OE2 3.26Å; K184-E190 WeakPolarHBondContact CD-OE2 3.27Å; K184-E190 WeakPolarHBondContact CE-OE2 3.33Å; K184-E190 IonicContact NZ-OE1 3.27Å; K184-E190 PolarHBondContact NZ-OE1 2.93Å; K184-E190 IonicContact NZ-OE2 2.63Å; K184-E190 PolarHBondContact NZ-OE2 3.22Å; S187-E190 PolarHBondContact O-N 2.83Å; S187-E190 VanDerWaalsContact O-N 3.16Å; S187-E190 PolarHBondContact OG-N 3.16Å; E190-C193 WeakPolarHBondContact O-CB 3.36Å; E190-C193 PolarHBondContact O-N 3.47Å; E190-F194 HydrophobicContact CG-CD2 3.72Å; E190-F194 HydrophobicContact CG-CE2 3.57Å; E190-F194 VanDerWaalsContact O-CD2 3.3Å; E190-F194 WeakPolarHBondContact O-CD2 3.31Å; E190-F194 PolarHBondContact O-N 3.4Å; E190-D390 WeakPolarHBondContact OE1-CA 3.41Å; E190-F391 HydrophobicContact CG-CB 4.22Å; E190-F391 PolarHBondContact OE1-N 2.89Å
191	K	95.3	Very high	94.2	Very high	49 Å²	49	44.2 Å²	44.2	21%	0.213	22%	0.224	C	C	.	.	H	α-helix	trans	-55.7	-52.3	173.1	172.1	-168.9	162.2	-165.1	0	110.8	L186 S187 E188 C193 F194 E195 I212 V221	L186-K191 HydrophobicContact CD1-CB 3.87Å; L186-K191 HydrophobicContact CD1-CD 4.08Å; L186-K191 HydrophobicContact CD1-CG 4.45Å; S187-K191 WeakPolarHBondContact O-CB 3.45Å; S187-K191 PolarHBondContact O-N 3.25Å; E188-K191 IonicContact OE2-NZ 3.81Å; K191-C193 VanDerWaalsContact C-N 3.29Å; K191-C193 PolarHBondContact O-N 2.99Å; K191-F194 PolarHBondContact O-N 3.43Å; K191-F194 VanDerWaalsContact O-N 3.1Å; K191-E195 WeakPolarHBondContact CE-OE1 3.46Å; K191-E195 HydrophobicContact CG-CG 4.49Å; K191-E195 WeakPolarHBondContact O-CG 3.39Å; K191-E195 PolarHBondContact O-N 3.06Å; K191-I212 HydrophobicContact CB-CD1 4.49Å; K191-I212 HydrophobicContact CD-CD1 4.04Å; K191-I212 HydrophobicContact CD-CG1 4.06Å; K191-I212 HydrophobicContact CG-CD1 4.05Å; K191-I212 HydrophobicContact CG-CG1 4.47Å; K191-V221 HydrophobicContact CB-CG2 4.43Å
192	K	96.1	Very high	94.6	Very high	120 Å²	120	43.5 Å²	43.5	52%	0.522	22%	0.219	S	C	.	.	H	α-helix	trans	-57.5	-43.1	178.3	-73.4	173.3	-176.5	178	0	111.7	E188 N189 F194 E195 D196	E188-K192 VanDerWaalsContact O-CG 3.32Å; E188-K192 WeakPolarHBondContact O-CG 3.32Å; E188-K192 PolarHBondContact O-N 2.78Å; E188-K192 VanDerWaalsContact O-N 3.14Å; N189-K192 PolarHBondContact O-N 2.96Å; K192-F194 VanDerWaalsContact C-N 3.34Å; K192-F194 PolarHBondContact O-N 3.26Å; K192-E195 PolarHBondContact O-N 3.41Å; K192-D196 PolarHBondContact O-N 3.24Å
193	C	97.1	Very high	94.9	Very high	1 Å²	1	45.5 Å²	45.5	1%	0.007	23%	0.232	C	C	.	.	H	α-helix	trans	-58.3	-46.8	175.4	-66.7	0	0	0	0	111.7	N189 E190 K191 E195 D196 L197 F364 F391 T394	N189-C193 PolarHBondContact O-N 3.09Å; N189-C193 VanDerWaalsContact O-N 3.08Å; N189-C193 PolarHBondContact O-SG 3.45Å; E190-C193 WeakPolarHBondContact O-CB 3.36Å; E190-C193 PolarHBondContact O-N 3.47Å; K191-C193 VanDerWaalsContact C-N 3.29Å; K191-C193 PolarHBondContact O-N 2.99Å; C193-E195 PolarHBondContact O-N 3.41Å; C193-D196 PolarHBondContact O-N 2.93Å; C193-L197 VanDerWaalsContact O-CB 3.27Å; C193-L197 WeakPolarHBondContact O-CB 3.41Å; C193-L197 WeakPolarHBondContact O-CD1 3.33Å; C193-L197 WeakPolarHBondContact O-CG 3.39Å; C193-L197 PolarHBondContact O-N 3.49Å; C193-F364 HydrophobicContact CB-CE2 4.05Å; C193-F364 HydrophobicContact CB-CZ 3.92Å; C193-F391 HydrophobicContact CB-CB 3.59Å; C193-F391 HydrophobicContact CB-CG 4.11Å; C193-T394 PolarHBondContact SG-O 3.28Å
194	F	97.1	Very high	95.2	Very high	3 Å²	3	52 Å²	52	1%	0.013	26%	0.261	C	S	.	.	H	α-helix	trans	-64.5	-37.1	177.7	-85.4	-61.7	0	0	0	113.3	E190 K191 K192 Q198 P207 Y209 V221 M223 F391	E190-F194 HydrophobicContact CG-CD2 3.72Å; E190-F194 HydrophobicContact CG-CE2 3.57Å; E190-F194 VanDerWaalsContact O-CD2 3.3Å; E190-F194 WeakPolarHBondContact O-CD2 3.31Å; E190-F194 PolarHBondContact O-N 3.4Å; K191-F194 PolarHBondContact O-N 3.43Å; K191-F194 VanDerWaalsContact O-N 3.1Å; K192-F194 VanDerWaalsContact C-N 3.34Å; K192-F194 PolarHBondContact O-N 3.26Å; F194-Q198 VanDerWaalsContact O-CG 3.28Å; F194-Q198 WeakPolarHBondContact O-CG 3.32Å; F194-Q198 PolarHBondContact O-N 2.73Å; F194-P207 HydrophobicContact CE1-CB 4.39Å; F194-P207 WeakPolarHBondContact CE1-O 3.37Å; F194-Y209 HydrophobicContact CB-CD1 3.92Å; F194-Y209 HydrophobicContact CB-CD2 4.02Å; F194-Y209 HydrophobicContact CB-CG 3.67Å; F194-Y209 HydrophobicContact CG-CD2 4.33Å; F194-Y209 HydrophobicContact CG-CG 4.23Å; F194-V221 HydrophobicContact CD2-CG1 3.98Å; F194-V221 HydrophobicContact CE2-CG1 4.24Å; F194-M223 HydrophobicContact CE2-CE 3.67Å; F194-M223 HydrophobicContact CE2-SD 4.32Å; F194-M223 HydrophobicContact CZ-CE 3.93Å; F194-M223 HydrophobicContact CZ-SD 3.96Å; F194-F391 HydrophobicContact CE1-CD2 4.31Å; F194-F391 HydrophobicContact CE1-CE2 4.25Å; F194-F391 HydrophobicContact CE2-CD2 4.33Å; F194-F391 HydrophobicContact CZ-CD2 4.07Å; F194-F391 HydrophobicContact CZ-CE2 4.31Å
195	E	96.3	Very high	95.5	Very high	79 Å²	79	52.8 Å²	52.8	37%	0.369	27%	0.265	S	S	.	.	H	α-helix	trans	-62.2	-46.8	174.4	-72.3	172.7	160.6	0	0	111.2	K191 K192 C193 Q198 Y209	K191-E195 WeakPolarHBondContact CE-OE1 3.46Å; K191-E195 HydrophobicContact CG-CG 4.49Å; K191-E195 WeakPolarHBondContact O-CG 3.39Å; K191-E195 PolarHBondContact O-N 3.06Å; K192-E195 PolarHBondContact O-N 3.41Å; C193-E195 PolarHBondContact O-N 3.41Å; E195-Q198 PolarHBondContact O-N 3.27Å; E195-Y209 HydrophobicContact CG-CD1 4.46Å; E195-Y209 HydrophobicContact CG-CE1 3.77Å
196	D	96.6	Very high	95.8	Very high	83 Å²	83	51 Å²	51	44%	0.444	26%	0.258	S	S	.	.	H	α-helix	trans	-66.7	-39.5	178	-70	-19.8	0	0	0	112	K192 C193 Q198 N199 F364 H368	K192-D196 PolarHBondContact O-N 3.24Å; C193-D196 PolarHBondContact O-N 2.93Å; D196-Q198 PolarHBondContact O-N 3.5Å; D196-N199 PolarHBondContact O-N 2.91Å; D196-F364 HydrophobicContact CB-CD2 3.7Å; D196-F364 HydrophobicContact CB-CE2 4.11Å; D196-H368 IonicContact OD2-CE1 2.71Å; D196-H368 IonicContact OD2-NE2 2.8Å
197	L	97.6	Very high	96	Very high	2 Å²	2	49.8 Å²	49.8	1%	0.01	25%	0.252	C	S	.	.	H	α-helix	trans	-65	-21.1	178.7	-77.7	164.1	0	0	0	113.6	C193 N199 D200 L202 V203 V206 F364 F391	C193-L197 VanDerWaalsContact O-CB 3.27Å; C193-L197 WeakPolarHBondContact O-CB 3.41Å; C193-L197 WeakPolarHBondContact O-CD1 3.33Å; C193-L197 WeakPolarHBondContact O-CG 3.39Å; C193-L197 PolarHBondContact O-N 3.49Å; L197-N199 PolarHBondContact O-N 2.82Å; L197-D200 PolarHBondContact O-N 3Å; L197-L202 HydrophobicContact CD2-CB 3.64Å; L197-L202 HydrophobicContact CD2-CD1 3.98Å; L197-L202 HydrophobicContact CD2-CG 4.46Å; L197-V203 WeakPolarHBondContact O-CB 3.29Å; L197-V206 HydrophobicContact CB-CG2 4.47Å; L197-V206 HydrophobicContact CD1-CG1 4.11Å; L197-V206 HydrophobicContact CD1-CG2 4.47Å; L197-V206 HydrophobicContact CD2-CG1 4.4Å; L197-F364 HydrophobicContact CD1-CE1 4.27Å; L197-F364 HydrophobicContact CD1-CZ 4.22Å; L197-F364 HydrophobicContact CD2-CB 4.42Å; L197-F364 HydrophobicContact CD2-CD1 3.54Å; L197-F364 HydrophobicContact CD2-CD2 4.42Å; L197-F364 HydrophobicContact CD2-CE1 3.84Å; L197-F364 HydrophobicContact CD2-CG 3.86Å; L197-F364 HydrophobicContact CD2-CZ 4.4Å; L197-F364 HydrophobicContact CG-CD1 4.07Å; L197-F364 HydrophobicContact CG-CD2 4.19Å; L197-F364 HydrophobicContact CG-CE1 4.04Å; L197-F364 HydrophobicContact CG-CE2 4.17Å; L197-F364 HydrophobicContact CG-CG 4.14Å; L197-F364 HydrophobicContact CG-CZ 4.1Å; L197-F391 HydrophobicContact CD1-CD2 4.04Å; L197-F391 HydrophobicContact CD1-CE1 4.22Å; L197-F391 HydrophobicContact CD1-CE2 3.71Å; L197-F391 HydrophobicContact CD1-CG 4.43Å; L197-F391 HydrophobicContact CD1-CZ 3.82Å
198	Q	95.9	Very high	96.2	Very high	95 Å²	95	58.1 Å²	58.1	44%	0.444	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-27.9	-179.2	-68.7	-158.5	-13.7	0	0	113.3	F194 E195 D196 Y209	F194-Q198 VanDerWaalsContact O-CG 3.28Å; F194-Q198 WeakPolarHBondContact O-CG 3.32Å; F194-Q198 PolarHBondContact O-N 2.73Å; E195-Q198 PolarHBondContact O-N 3.27Å; D196-Q198 PolarHBondContact O-N 3.5Å; Q198-Y209 HydrophobicContact CG-CD1 4.39Å
199	N	94	Very high	96.4	Very high	157 Å²	157	54.2 Å²	54.2	84%	0.84	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112	12.6	-178.5	-60.5	-65	0	0	0	112.7	D196 L197	D196-N199 PolarHBondContact O-N 2.91Å; L197-N199 PolarHBondContact O-N 2.82Å
200	D	98.4	Very high	96.5	Very high	18 Å²	18	55.9 Å²	55.9	10%	0.096	27%	0.269	C	S	.	.	S	Bend	trans	-102.1	161.2	-177	-173.5	-97.5	0	0	0	112.2	L197 L202 V203 S362 D363 F364	L197-D200 PolarHBondContact O-N 3Å; D200-L202 PolarHBondContact O-N 2.9Å; D200-L202 VanDerWaalsContact O-N 3.11Å; D200-L202 WeakPolarHBondContact OD1-CB 3.13Å; D200-L202 VanDerWaalsContact OD1-CG 3.3Å; D200-L202 WeakPolarHBondContact OD1-CG 3.38Å; D200-L202 PolarHBondContact OD1-N 2.84Å; D200-V203 WeakPolarHBondContact O-CB 3.17Å; D200-V203 WeakPolarHBondContact O-CG1 3.34Å; D200-V203 PolarHBondContact O-N 3.34Å; D200-V203 VanDerWaalsContact O-N 3.13Å; D200-S362 VanDerWaalsContact OD1-CB 3.29Å; D200-S362 WeakPolarHBondContact OD1-CB 3.41Å; D200-S362 PolarHBondContact OD1-OG 3.27Å; D200-S362 WeakPolarHBondContact OD2-CA 3.28Å; D200-S362 PolarHBondContact OD2-OG 2.87Å; D200-D363 PolarHBondContact OD2-N 3.08Å; D200-F364 HydrophobicContact CB-CB 4.05Å; D200-F364 WeakPolarHBondContact OD2-CB 3.49Å; D200-F364 PolarHBondContact OD2-N 3.31Å
201	A	98.1	Very high	96.6	Very high	38 Å²	38	56.8 Å²	56.8	31%	0.314	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-57	-24	174.1	0	0	0	0	0	113.5	V203 I361	A201-V203 VanDerWaalsContact C-N 3.32Å; A201-V203 PolarHBondContact O-N 3.46Å; A201-I361 HydrophobicContact CB-CD1 3.92Å; A201-I361 HydrophobicContact CB-CG1 3.73Å
202	L	98.4	Very high	96.6	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-79.7	-5	179.7	-65.9	174.6	0	0	0	114.7	L197 D200 H204 F205 V206 A358 L359 S362 F364 F365 M388	L197-L202 HydrophobicContact CD2-CB 3.64Å; L197-L202 HydrophobicContact CD2-CD1 3.98Å; L197-L202 HydrophobicContact CD2-CG 4.46Å; D200-L202 PolarHBondContact O-N 2.9Å; D200-L202 VanDerWaalsContact O-N 3.11Å; D200-L202 WeakPolarHBondContact OD1-CB 3.13Å; D200-L202 VanDerWaalsContact OD1-CG 3.3Å; D200-L202 WeakPolarHBondContact OD1-CG 3.38Å; D200-L202 PolarHBondContact OD1-N 2.84Å; L202-H204 PolarHBondContact O-N 2.9Å; L202-F205 WeakPolarHBondContact O-CA 3.47Å; L202-F205 PolarHBondContact O-N 3.32Å; L202-V206 PolarHBondContact O-N 2.79Å; L202-A358 HydrophobicContact CD2-CB 3.91Å; L202-L359 HydrophobicContact CD1-CD2 3.9Å; L202-L359 HydrophobicContact CD2-CD2 3.72Å; L202-L359 HydrophobicContact CD2-CG 3.92Å; L202-L359 HydrophobicContact CG-CD2 4.43Å; L202-S362 WeakPolarHBondContact CD1-OG 3.35Å; L202-F364 HydrophobicContact CD1-CD1 4.13Å; L202-F365 HydrophobicContact CD1-CB 4.18Å; L202-M388 HydrophobicContact CD1-CE 4.25Å; L202-M388 HydrophobicContact CD1-SD 4.36Å; L202-M388 HydrophobicContact CD2-SD 3.95Å
203	V	97.9	Very high	96.5	Very high	51 Å²	51	54 Å²	54	31%	0.309	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-53.8	-31.1	-174.6	69.9	0	0	0	0	114	L197 D200 A201 F205	L197-V203 WeakPolarHBondContact O-CB 3.29Å; D200-V203 WeakPolarHBondContact O-CB 3.17Å; D200-V203 WeakPolarHBondContact O-CG1 3.34Å; D200-V203 PolarHBondContact O-N 3.34Å; D200-V203 VanDerWaalsContact O-N 3.13Å; A201-V203 VanDerWaalsContact C-N 3.32Å; A201-V203 PolarHBondContact O-N 3.46Å; V203-F205 VanDerWaalsContact C-N 3.34Å
204	H	97.4	Very high	96.4	Very high	146 Å²	146	60.1 Å²	60.1	68%	0.676	30%	0.301	S	S	*	.	G	3₁₀ helix	trans	-86.9	-1.5	179	-62.5	-51.8	0	0	0	114.4	L202 R351	L202-H204 PolarHBondContact O-N 2.9Å; H204-R351 PolarHBondContact O-NH2 3.37Å
205	F	98.3	Very high	95.9	Very high	21 Å²	21	62.8 Å²	62.8	9%	0.092	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.9	2	-176.9	-57.4	-83.9	0	0	0	112.5	L202 V203 E354 I355 A358 W387 M388	L202-F205 WeakPolarHBondContact O-CA 3.47Å; L202-F205 PolarHBondContact O-N 3.32Å; V203-F205 VanDerWaalsContact C-N 3.34Å; F205-E354 HydrophobicContact CE1-CB 3.7Å; F205-E354 HydrophobicContact CZ-CB 3.91Å; F205-I355 HydrophobicContact CB-CG1 4.31Å; F205-I355 HydrophobicContact CD1-CB 4.26Å; F205-I355 HydrophobicContact CD1-CD1 4.25Å; F205-I355 HydrophobicContact CD1-CG1 3.24Å; F205-I355 HydrophobicContact CE1-CG1 3.74Å; F205-I355 HydrophobicContact CG-CG1 4Å; F205-A358 HydrophobicContact CD2-CB 3.8Å; F205-A358 HydrophobicContact CE2-CB 3.36Å; F205-A358 HydrophobicContact CZ-CB 3.98Å; F205-W387 CarbonylContact O-C 3.52Å; F205-W387 VanDerWaalsContact O-CA 3.28Å; F205-W387 WeakPolarHBondContact O-CA 3.38Å; F205-M388 PolarHBondContact O-N 3.41Å
206	V	97.6	Very high	95.5	Very high	10 Å²	10	65.6 Å²	65.6	6%	0.061	33%	0.333	C	S	.	.	S	Bend	trans	-121.4	160.2	177.9	-60.8	0	0	0	0	110.8	L197 L202 R208 M388 F391	L197-V206 HydrophobicContact CB-CG2 4.47Å; L197-V206 HydrophobicContact CD1-CG1 4.11Å; L197-V206 HydrophobicContact CD1-CG2 4.47Å; L197-V206 HydrophobicContact CD2-CG1 4.4Å; L202-V206 PolarHBondContact O-N 2.79Å; V206-R208 PolarHBondContact O-N 2.93Å; V206-M388 HydrophobicContact CG1-CB 4.01Å; V206-F391 HydrophobicContact CB-CE2 4.33Å; V206-F391 HydrophobicContact CG1-CE2 3.87Å; V206-F391 HydrophobicContact CG1-CZ 3.61Å
207	P	96	Very high	95.1	Very high	6 Å²	6	64.2 Å²	64.2	4%	0.039	34%	0.338	C	S	.	.	P	Polyproline II helix	trans	-55.6	128.6	167.2	-21.3	29.2	0	0	0	110.4	F194 Y209 M223 L226 M388 I389	F194-P207 HydrophobicContact CE1-CB 4.39Å; F194-P207 WeakPolarHBondContact CE1-O 3.37Å; P207-Y209 PolarHBondContact O-N 3.48Å; P207-Y209 VanDerWaalsContact O-N 3.11Å; P207-M223 HydrophobicContact CB-CB 4.04Å; P207-M223 HydrophobicContact CB-CG 4.14Å; P207-M223 HydrophobicContact CB-SD 3.99Å; P207-M223 HydrophobicContact CG-SD 4.24Å; P207-L226 HydrophobicContact CB-CD2 4.33Å; P207-L226 HydrophobicContact CB-CG 4.47Å; P207-L226 HydrophobicContact CG-CD1 3.86Å; P207-L226 HydrophobicContact CG-CD2 4.33Å; P207-L226 HydrophobicContact CG-CG 4.16Å; P207-M388 VanDerWaalsContact CD-O 3.22Å; P207-M388 WeakPolarHBondContact CD-O 3.42Å; P207-I389 HydrophobicContact CG-CG2 3.87Å
208	R	95.6	Very high	94.8	Very high	187 Å²	187	66.8 Å²	66.8	71%	0.706	35%	0.35	S	S	*	.	P	Polyproline II helix	trans	-64.7	119.2	177.2	167.8	-177.3	-174.7	150.1	4	109.6	V206 M223 T224	V206-R208 PolarHBondContact O-N 2.93Å; R208-M223 CarbonylContact O-C 3.49Å; R208-M223 VanDerWaalsContact O-CA 3.27Å; R208-M223 WeakPolarHBondContact O-CA 3.44Å; R208-T224 WeakPolarHBondContact CB-OG1 3.5Å; R208-T224 PolarHBondContact O-N 2.76Å; R208-T224 PolarHBondContact O-OG1 3.48Å
209	Y	95.6	Very high	94.6	Very high	21 Å²	21	67.1 Å²	67.1	8%	0.082	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	135.6	174.9	179.2	-131.7	0	0	0	111.1	F194 E195 Q198 P207 G211 I212 V221 Q222	F194-Y209 HydrophobicContact CB-CD1 3.92Å; F194-Y209 HydrophobicContact CB-CD2 4.02Å; F194-Y209 HydrophobicContact CB-CG 3.67Å; F194-Y209 HydrophobicContact CG-CD2 4.33Å; F194-Y209 HydrophobicContact CG-CG 4.23Å; E195-Y209 HydrophobicContact CG-CD1 4.46Å; E195-Y209 HydrophobicContact CG-CE1 3.77Å; Q198-Y209 HydrophobicContact CG-CD1 4.39Å; P207-Y209 PolarHBondContact O-N 3.48Å; P207-Y209 VanDerWaalsContact O-N 3.11Å; Y209-G211 VanDerWaalsContact CE2-C 3.48Å; Y209-G211 WeakPolarHBondContact CE2-O 3.2Å; Y209-G211 VanDerWaalsContact CZ-CA 3.42Å; Y209-G211 WeakPolarHBondContact OH-CA 3.17Å; Y209-I212 HydrophobicContact CE2-CD1 4.17Å; Y209-I212 VanDerWaalsContact OH-CD1 3.27Å; Y209-I212 WeakPolarHBondContact OH-CD1 3.49Å; Y209-I212 WeakPolarHBondContact OH-CG1 3.27Å; Y209-V221 HydrophobicContact CD2-CG1 3.69Å; Y209-V221 HydrophobicContact CE2-CG1 3.59Å; Y209-Q222 WeakPolarHBondContact CD2-O 3.37Å
210	Q	94.7	Very high	94.6	Very high	86 Å²	86	59.7 Å²	59.7	40%	0.402	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	-0.5	-176.7	-57.4	-171.7	19.6	0	0	113.4	T181 Q222	T181-Q210 VanDerWaalsContact CG2-NE2 3.29Å; Q210-Q222 HydrophobicContact CB-CB 4.22Å; Q210-Q222 HydrophobicContact CB-CG 4.04Å; Q210-Q222 PolarHBondContact N-O 2.96Å
211	G	94.7	Very high	94.4	Very high	20 Å²	20	58.8 Å²	58.8	21%	0.206	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	115.8	-169.8	179.9	0	0	0	0	0	113.1	Y209 Q222	Y209-G211 VanDerWaalsContact CE2-C 3.48Å; Y209-G211 WeakPolarHBondContact CE2-O 3.2Å; Y209-G211 VanDerWaalsContact CZ-CA 3.42Å; Y209-G211 WeakPolarHBondContact OH-CA 3.17Å; G211-Q222 PolarHBondContact O-N 2.97Å
212	I	95.6	Very high	94.3	Very high	59 Å²	59	58.6 Å²	58.6	30%	0.303	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	140.3	175.8	-57.6	-51.3	0	0	0	109.5	L186 K191 Y209 F219 F220 V221	L186-I212 HydrophobicContact CD1-CD1 3.75Å; K191-I212 HydrophobicContact CB-CD1 4.49Å; K191-I212 HydrophobicContact CD-CD1 4.04Å; K191-I212 HydrophobicContact CD-CG1 4.06Å; K191-I212 HydrophobicContact CG-CD1 4.05Å; K191-I212 HydrophobicContact CG-CG1 4.47Å; Y209-I212 HydrophobicContact CE2-CD1 4.17Å; Y209-I212 VanDerWaalsContact OH-CD1 3.27Å; Y209-I212 WeakPolarHBondContact OH-CD1 3.49Å; Y209-I212 WeakPolarHBondContact OH-CG1 3.27Å; I212-F219 HydrophobicContact CG2-CB 4.15Å; I212-F219 HydrophobicContact CG2-CD1 3.91Å; I212-F219 HydrophobicContact CG2-CG 4.47Å; I212-F220 CarbonylContact C-O 3.34Å; I212-F220 VanDerWaalsContact CA-O 3.29Å; I212-F220 WeakPolarHBondContact CA-O 3.47Å; I212-V221 HydrophobicContact CD1-CB 4.31Å; I212-V221 HydrophobicContact CD1-CG2 3.77Å
213	V	93.9	Very high	94.1	Very high	50 Å²	50	59 Å²	59	30%	0.303	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	139.8	174.9	-133.7	0	0	0	0	109.3	L183 F219 F220 Q222	L183-V213 HydrophobicContact CD2-CG2 3.68Å; V213-F219 WeakPolarHBondContact O-CA 3.36Å; V213-F220 PolarHBondContact N-O 2.76Å; V213-F220 PolarHBondContact O-N 2.66Å; V213-Q222 HydrophobicContact CG2-CB 3.53Å; V213-Q222 HydrophobicContact CG2-CG 4.23Å
214	E	94	Very high	93.9	Very high	130 Å²	130	58.7 Å²	58.7	61%	0.607	30%	0.298	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.2	131.6	169.8	-169.5	-176.6	157.7	0	0	109	E218 F219	E214-E218 WeakPolarHBondContact CA-O 3.3Å; E214-F219 HydrophobicContact CB-CD1 4.02Å; E214-F219 HydrophobicContact CB-CE1 3.8Å; E214-F219 HydrophobicContact CG-CD1 4.27Å; E214-F219 HydrophobicContact CG-CE1 3.89Å; E214-F219 HydrophobicContact CG-CZ 4.17Å
215	N	87.2	Confident	93.6	Very high	59 Å²	59	52.1 Å²	52.1	32%	0.316	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	122.2	176	-174.6	22.2	0	0	0	110	G217 E218 F220	N215-G217 VanDerWaalsContact C-N 3.26Å; N215-G217 PolarHBondContact O-N 2.66Å; N215-E218 PolarHBondContact N-O 3.02Å; N215-E218 PolarHBondContact O-N 3.29Å; N215-E218 VanDerWaalsContact O-N 3.08Å; N215-F220 HydrophobicContact CB-CD2 4.02Å; N215-F220 HydrophobicContact CB-CE2 3.95Å
216	D	87.3	Confident	93.3	Very high	139 Å²	139	52.1 Å²	52.1	74%	0.743	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.3	37.8	-176.7	-56.8	-43.8	0	0	0	114.1	E218	D216-E218 PolarHBondContact O-N 3.42Å
217	G	88.9	Confident	92.8	Very high	53 Å²	53	52.1 Å²	52.1	55%	0.546	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	74	4.7	-178.6	0	0	0	0	0	114.8	N215	N215-G217 VanDerWaalsContact C-N 3.26Å; N215-G217 PolarHBondContact O-N 2.66Å
218	E	90.8	Very high	92.3	Very high	57 Å²	57	53.9 Å²	53.9	27%	0.266	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	145.2	171.4	-67.2	-173.6	115.4	0	0	110.7	K175 K185 E214 N215 D216 F220	K175-E218 IonicContact NZ-OE2 2.66Å; K175-E218 PolarHBondContact NZ-OE2 3.44Å; K185-E218 IonicContact NZ-OE1 2.76Å; K185-E218 PolarHBondContact NZ-OE1 2.79Å; E214-E218 WeakPolarHBondContact CA-O 3.3Å; N215-E218 PolarHBondContact N-O 3.02Å; N215-E218 PolarHBondContact O-N 3.29Å; N215-E218 VanDerWaalsContact O-N 3.08Å; D216-E218 PolarHBondContact O-N 3.42Å; E218-F220 HydrophobicContact CB-CE2 3.52Å; E218-F220 HydrophobicContact CB-CZ 3.74Å; E218-F220 WeakPolarHBondContact O-CD2 3.46Å; E218-F220 WeakPolarHBondContact O-CE2 3.49Å
219	F	93.2	Very high	91.3	Very high	102 Å²	102	48.3 Å²	48.3	45%	0.447	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	141.8	175.5	-66.8	-81.1	0	0	0	111.7	L186 I212 V213 E214	L186-F219 HydrophobicContact CB-CB 3.89Å; L186-F219 WeakPolarHBondContact CB-O 3.47Å; L186-F219 HydrophobicContact CD2-CB 3.61Å; L186-F219 HydrophobicContact CD2-CG 4.36Å; L186-F219 HydrophobicContact CG-CB 4.41Å; L186-F219 PolarHBondContact N-O 3.24Å; I212-F219 HydrophobicContact CG2-CB 4.15Å; I212-F219 HydrophobicContact CG2-CD1 3.91Å; I212-F219 HydrophobicContact CG2-CG 4.47Å; V213-F219 WeakPolarHBondContact O-CA 3.36Å; E214-F219 HydrophobicContact CB-CD1 4.02Å; E214-F219 HydrophobicContact CB-CE1 3.8Å; E214-F219 HydrophobicContact CG-CD1 4.27Å; E214-F219 HydrophobicContact CG-CE1 3.89Å; E214-F219 HydrophobicContact CG-CZ 4.17Å
220	F	93.8	Very high	90.6	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	141	-179.5	-62	-91.9	0	0	0	111.4	K175 L183 K184 K185 I212 V213 N215 E218	K175-F220 HydrophobicContact CD-CE1 3.78Å; K175-F220 HydrophobicContact CD-CE2 4.09Å; K175-F220 HydrophobicContact CD-CZ 3.54Å; K175-F220 HydrophobicContact CG-CE1 4.04Å; K175-F220 HydrophobicContact CG-CZ 4.31Å; L183-F220 HydrophobicContact CB-CB 3.8Å; L183-F220 HydrophobicContact CB-CD1 3.88Å; L183-F220 HydrophobicContact CB-CG 3.93Å; L183-F220 HydrophobicContact CD1-CB 4.45Å; L183-F220 HydrophobicContact CD1-CG 4.36Å; L183-F220 HydrophobicContact CD2-CB 4.23Å; L183-F220 HydrophobicContact CG-CB 4.36Å; K184-F220 CarbonylContact O-C 3.41Å; K184-F220 WeakPolarHBondContact O-CA 3.48Å; K184-F220 WeakPolarHBondContact O-CB 3.47Å; K185-F220 HydrophobicContact CB-CD1 4.45Å; K185-F220 HydrophobicContact CB-CE1 4.25Å; I212-F220 CarbonylContact C-O 3.34Å; I212-F220 VanDerWaalsContact CA-O 3.29Å; I212-F220 WeakPolarHBondContact CA-O 3.47Å; V213-F220 PolarHBondContact N-O 2.76Å; V213-F220 PolarHBondContact O-N 2.66Å; N215-F220 HydrophobicContact CB-CD2 4.02Å; N215-F220 HydrophobicContact CB-CE2 3.95Å; E218-F220 HydrophobicContact CB-CE2 3.52Å; E218-F220 HydrophobicContact CB-CZ 3.74Å; E218-F220 WeakPolarHBondContact O-CD2 3.46Å; E218-F220 WeakPolarHBondContact O-CE2 3.49Å
221	V	93.8	Very high	89.9	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	117.7	162.3	178.9	0	0	0	0	107.6	K184 L186 K191 F194 Y209 I212 M223	K184-V221 PolarHBondContact N-O 3.47Å; K184-V221 PolarHBondContact O-N 3.15Å; L186-V221 HydrophobicContact CD1-CG2 3.79Å; K191-V221 HydrophobicContact CB-CG2 4.43Å; F194-V221 HydrophobicContact CD2-CG1 3.98Å; F194-V221 HydrophobicContact CE2-CG1 4.24Å; Y209-V221 HydrophobicContact CD2-CG1 3.69Å; Y209-V221 HydrophobicContact CE2-CG1 3.59Å; I212-V221 HydrophobicContact CD1-CB 4.31Å; I212-V221 HydrophobicContact CD1-CG2 3.77Å; V221-M223 HydrophobicContact CB-CE 4.05Å; V221-M223 HydrophobicContact CG1-CE 3.49Å; V221-M223 VanDerWaalsContact CG1-CE 3.49Å
222	Q	94.8	Very high	89.4	Confident	33 Å²	33	53.6 Å²	53.6	15%	0.154	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	128.3	171.4	-170.6	174.7	14.1	0	0	109.9	T181 I182 L183 Y209 Q210 G211 V213	T181-Q222 PolarHBondContact OG1-NE2 2.9Å; I182-Q222 WeakPolarHBondContact O-CA 3.26Å; L183-Q222 HydrophobicContact CD2-CB 3.91Å; L183-Q222 HydrophobicContact CD2-CG 3.95Å; Y209-Q222 WeakPolarHBondContact CD2-O 3.37Å; Q210-Q222 HydrophobicContact CB-CB 4.22Å; Q210-Q222 HydrophobicContact CB-CG 4.04Å; Q210-Q222 PolarHBondContact N-O 2.96Å; G211-Q222 PolarHBondContact O-N 2.97Å; V213-Q222 HydrophobicContact CG2-CB 3.53Å; V213-Q222 HydrophobicContact CG2-CG 4.23Å
223	M	94.6	Very high	89.2	Confident	10 Å²	10	51 Å²	51	5%	0.049	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	168.8	178.4	65.9	-170.7	75.6	0	0	111	T181 I182 K184 F194 P207 R208 V221	T181-M223 CarbonylContact C-O 3.53Å; T181-M223 WeakPolarHBondContact CA-O 3.22Å; I182-M223 HydrophobicContact CG2-CG 3.59Å; I182-M223 PolarHBondContact N-O 3.1Å; I182-M223 PolarHBondContact O-N 3.15Å; K184-M223 HydrophobicContact CB-CE 3.68Å; K184-M223 HydrophobicContact CD-CE 3.76Å; K184-M223 HydrophobicContact CG-CE 4.41Å; F194-M223 HydrophobicContact CE2-CE 3.67Å; F194-M223 HydrophobicContact CE2-SD 4.32Å; F194-M223 HydrophobicContact CZ-CE 3.93Å; F194-M223 HydrophobicContact CZ-SD 3.96Å; P207-M223 HydrophobicContact CB-CB 4.04Å; P207-M223 HydrophobicContact CB-CG 4.14Å; P207-M223 HydrophobicContact CB-SD 3.99Å; P207-M223 HydrophobicContact CG-SD 4.24Å; R208-M223 CarbonylContact O-C 3.49Å; R208-M223 VanDerWaalsContact O-CA 3.27Å; R208-M223 WeakPolarHBondContact O-CA 3.44Å; V221-M223 HydrophobicContact CB-CE 4.05Å; V221-M223 HydrophobicContact CG1-CE 3.49Å; V221-M223 VanDerWaalsContact CG1-CE 3.49Å
224	T	93.6	Very high	89.2	Confident	43 Å²	43	49 Å²	49	26%	0.264	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	133.2	177.3	-57	0	0	0	0	110.5	R208 L226	R208-T224 WeakPolarHBondContact CB-OG1 3.5Å; R208-T224 PolarHBondContact O-N 2.76Å; R208-T224 PolarHBondContact O-OG1 3.48Å; T224-L226 PolarHBondContact O-N 3.04Å
225	D	91.6	Very high	89.3	Confident	9 Å²	9	42.9 Å²	42.9	5%	0.048	25%	0.253	C	S	.	.			trans	-72.6	111.1	169.2	173.6	15	0	0	0	108.9	Q65 G180 I182 L227 A228	Q65-D225 PolarHBondContact NE2-OD2 3.27Å; G180-D225 PolarHBondContact O-N 2.98Å; I182-D225 HydrophobicContact CB-CB 4.32Å; D225-L227 PolarHBondContact O-N 3.16Å; D225-L227 VanDerWaalsContact O-N 3.16Å; D225-L227 PolarHBondContact OD1-N 2.81Å; D225-A228 HydrophobicContact CB-CB 4.11Å; D225-A228 WeakPolarHBondContact O-CB 3.42Å; D225-A228 PolarHBondContact O-N 2.93Å; D225-A228 PolarHBondContact OD2-N 3.16Å
226	L	91.9	Very high	89.8	Confident	21 Å²	21	40.1 Å²	40.1	11%	0.11	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-14.7	-178.9	-63.3	-178.2	0	0	0	113.4	P207 T224 F230 L376 I378 W387 I389	P207-L226 HydrophobicContact CB-CD2 4.33Å; P207-L226 HydrophobicContact CB-CG 4.47Å; P207-L226 HydrophobicContact CG-CD1 3.86Å; P207-L226 HydrophobicContact CG-CD2 4.33Å; P207-L226 HydrophobicContact CG-CG 4.16Å; T224-L226 PolarHBondContact O-N 3.04Å; L226-F230 WeakPolarHBondContact O-CD2 3.24Å; L226-F230 WeakPolarHBondContact O-CE2 3.28Å; L226-L376 HydrophobicContact CD1-CD2 3.77Å; L226-I378 HydrophobicContact CB-CD1 3.92Å; L226-W387 HydrophobicContact CD1-CB 3.58Å; L226-W387 HydrophobicContact CD1-CD2 3.87Å; L226-W387 HydrophobicContact CD1-CE3 4.23Å; L226-W387 HydrophobicContact CD1-CG 3.61Å; L226-W387 HydrophobicContact CD2-CD2 3.93Å; L226-W387 HydrophobicContact CD2-CG 3.87Å; L226-W387 HydrophobicContact CD2-CZ2 4.3Å; L226-W387 HydrophobicContact CG-CD2 4.35Å; L226-W387 HydrophobicContact CG-CG 4.34Å; L226-I389 HydrophobicContact CD1-CG2 3.94Å
227	L	88.3	Confident	90.2	Very high	10 Å²	10	33.5 Å²	33.5	5%	0.052	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.2	-2	176.2	-57.1	-174.5	0	0	0	112.9	V66 D225 G229 F230 P233 V235 I378	V66-L227 HydrophobicContact CB-CD1 3.32Å; V66-L227 HydrophobicContact CG1-CD1 4.46Å; V66-L227 HydrophobicContact CG2-CD1 3.89Å; V66-L227 WeakPolarHBondContact O-CD1 3.26Å; D225-L227 PolarHBondContact O-N 3.16Å; D225-L227 VanDerWaalsContact O-N 3.16Å; D225-L227 PolarHBondContact OD1-N 2.81Å; L227-G229 PolarHBondContact O-N 2.93Å; L227-F230 PolarHBondContact O-N 2.83Å; L227-P233 HydrophobicContact CD1-CG 4.14Å; L227-P233 HydrophobicContact CD2-CB 4.02Å; L227-P233 HydrophobicContact CD2-CG 4Å; L227-P233 HydrophobicContact CG-CG 4.48Å; L227-V235 HydrophobicContact CD1-CG2 4.2Å; L227-V235 HydrophobicContact CD2-CG2 4.02Å; L227-I378 HydrophobicContact CD2-CB 4.3Å; L227-I378 HydrophobicContact CD2-CD1 3.32Å; L227-I378 HydrophobicContact CD2-CG1 3.67Å; L227-I378 HydrophobicContact CD2-CG2 3.62Å; L227-I378 HydrophobicContact CG-CD1 4.37Å
228	A	83.9	Confident	90.6	Very high	43 Å²	43	31 Å²	31	36%	0.355	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	125.3	174	0	0	0	0	0	110	D225 F230	D225-A228 HydrophobicContact CB-CB 4.11Å; D225-A228 WeakPolarHBondContact O-CB 3.42Å; D225-A228 PolarHBondContact O-N 2.93Å; D225-A228 PolarHBondContact OD2-N 3.16Å; A228-F230 VanDerWaalsContact C-N 3.31Å; A228-F230 PolarHBondContact O-N 2.94Å
229	G	76.1	Confident	91	Very high	69 Å²	69	29.3 Å²	29.3	71%	0.711	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	83.5	-2.6	179.9	0	0	0	0	0	115.5	L227	L227-G229 PolarHBondContact O-N 2.93Å
230	F	79.1	Confident	91.2	Very high	31 Å²	31	24.4 Å²	24.4	14%	0.136	15%	0.148	C	C	.	.			trans	-89.8	124.4	168.4	-69.5	-81	0	0	0	110.4	L226 L227 A228 P233 I378 V380 W387	L226-F230 WeakPolarHBondContact O-CD2 3.24Å; L226-F230 WeakPolarHBondContact O-CE2 3.28Å; L227-F230 PolarHBondContact O-N 2.83Å; A228-F230 VanDerWaalsContact C-N 3.31Å; A228-F230 PolarHBondContact O-N 2.94Å; F230-P233 HydrophobicContact CB-CB 4Å; F230-P233 HydrophobicContact CB-CG 4.24Å; F230-I378 HydrophobicContact CD1-CG2 4.44Å; F230-I378 HydrophobicContact CD2-CG2 4.36Å; F230-I378 HydrophobicContact CE1-CG2 4.44Å; F230-I378 HydrophobicContact CE2-CG2 4.35Å; F230-I378 HydrophobicContact CG-CG2 4.38Å; F230-I378 HydrophobicContact CZ-CG2 4.38Å; F230-V380 HydrophobicContact CB-CG2 3.94Å; F230-V380 HydrophobicContact CD1-CB 3.85Å; F230-V380 HydrophobicContact CD1-CG2 3.52Å; F230-V380 HydrophobicContact CE1-CB 4.5Å; F230-V380 HydrophobicContact CE1-CG2 4.47Å; F230-V380 HydrophobicContact CG-CG2 4.16Å; F230-W387 HydrophobicContact CE2-CH2 4.23Å; F230-W387 HydrophobicContact CZ-CH2 4.35Å
231	N	81.2	Confident	91.4	Very high	107 Å²	107	24.4 Å²	24.4	57%	0.572	15%	0.148	S	C	*	.	S	Bend	trans	-93.7	116.1	171.1	-67.5	-28.6	0	0	0	108.3	V380	N231-V380 WeakPolarHBondContact O-CG1 3.25Å
232	H	84.9	Confident	91.5	Very high	100 Å²	100	26 Å²	26	46%	0.463	16%	0.156	S	C	.	.	S	Bend	trans	55.5	63.5	-177.9	-50.3	91.1	0	0	0	113.9	Y313	H232-Y313 WeakPolarHBondContact O-CB 3.34Å
233	P	91.1	Very high	91.5	Very high	5 Å²	5	24.4 Å²	24.4	3%	0.032	15%	0.148	C	C	.	.			trans	-68.4	142.1	177.7	28.8	-33.5	0	0	0	113.2	L227 F230 V235 I378 V380	L227-P233 HydrophobicContact CD1-CG 4.14Å; L227-P233 HydrophobicContact CD2-CB 4.02Å; L227-P233 HydrophobicContact CD2-CG 4Å; L227-P233 HydrophobicContact CG-CG 4.48Å; F230-P233 HydrophobicContact CB-CB 4Å; F230-P233 HydrophobicContact CB-CG 4.24Å; P233-V235 HydrophobicContact CB-CG2 3.96Å; P233-V235 HydrophobicContact CG-CG2 4.2Å; P233-I378 HydrophobicContact CB-CG2 3.85Å; P233-V380 VanDerWaalsContact CA-CG2 3.46Å; P233-V380 HydrophobicContact CB-CG2 3.98Å
234	N	93.9	Very high	91.5	Very high	9 Å²	9	24.1 Å²	24.1	5%	0.048	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	134.9	156.5	-64	-69.1	0	0	0	108.5	K311 K312 Y313 F337 I378 H379	N234-K311 CarbonylContact C-O 3.57Å; N234-K311 WeakPolarHBondContact CA-O 3.36Å; N234-K312 VanDerWaalsContact OD1-CA 3.23Å; N234-K312 WeakPolarHBondContact OD1-CA 3.28Å; N234-Y313 VanDerWaalsContact OD1-CD1 3.31Å; N234-Y313 WeakPolarHBondContact OD1-CD1 3.37Å; N234-Y313 PolarHBondContact OD1-N 3.28Å; N234-F337 HydrophobicContact CB-CE2 3.79Å; N234-F337 HydrophobicContact CB-CZ 4.07Å; N234-I378 CarbonylContact O-C 3.56Å; N234-I378 VanDerWaalsContact O-CA 3.27Å; N234-I378 WeakPolarHBondContact O-CA 3.04Å; N234-H379 VanDerWaalsContact CB-CE1 3.48Å; N234-H379 WeakPolarHBondContact CB-CE1 3.23Å; N234-H379 VanDerWaalsContact CB-NE2 3.29Å; N234-H379 WeakPolarHBondContact CB-NE2 3.4Å; N234-H379 VanDerWaalsContact CG-CE1 3.45Å; N234-H379 PolarHBondContact N-O 3.23Å; N234-H379 PolarHBondContact ND2-CE1 3.32Å; N234-H379 PolarHBondContact ND2-ND1 3.08Å; N234-H379 PolarHBondContact O-N 2.78Å
235	V	95.6	Very high	91.5	Very high	1 Å²	1	22.5 Å²	22.5	1%	0.006	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	131.4	-170.8	-169.2	0	0	0	0	109.6	I68 L167 L227 P233 I310 K311 L376 F377 I378	I68-V235 HydrophobicContact CD1-CG1 3.88Å; L167-V235 HydrophobicContact CD1-CB 3.8Å; L167-V235 HydrophobicContact CD1-CG1 3.36Å; L227-V235 HydrophobicContact CD1-CG2 4.2Å; L227-V235 HydrophobicContact CD2-CG2 4.02Å; P233-V235 HydrophobicContact CB-CG2 3.96Å; P233-V235 HydrophobicContact CG-CG2 4.2Å; V235-I310 CarbonylContact O-C 3.53Å; V235-I310 WeakPolarHBondContact O-CA 3.41Å; V235-K311 PolarHBondContact N-O 3.27Å; V235-K311 PolarHBondContact O-N 2.98Å; V235-L376 HydrophobicContact CG1-CD1 3.28Å; V235-F377 CarbonylContact C-O 3.57Å; V235-F377 VanDerWaalsContact CA-O 3.29Å; V235-F377 WeakPolarHBondContact CA-O 3.33Å; V235-I378 HydrophobicContact CG1-CG1 4.27Å; V235-I378 HydrophobicContact CG2-CG1 4.48Å
236	M	96.8	Very high	91.6	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	132.9	173.2	172	-167.7	-70	0	0	110	I307 G309 I310 F334 F337 F377	M236-I307 HydrophobicContact CE-CD1 4.19Å; M236-I307 HydrophobicContact CG-CG2 3.97Å; M236-I307 HydrophobicContact SD-CD1 3.92Å; M236-I307 HydrophobicContact SD-CG1 4.25Å; M236-I307 HydrophobicContact SD-CG2 4.32Å; M236-G309 WeakPolarHBondContact CA-O 3.2Å; M236-I310 HydrophobicContact CB-CG1 4.14Å; M236-I310 HydrophobicContact CE-CD1 3.48Å; M236-I310 VanDerWaalsContact CE-CD1 3.48Å; M236-I310 HydrophobicContact CE-CG1 3.86Å; M236-I310 HydrophobicContact CG-CG1 3.95Å; M236-F334 HydrophobicContact CE-CD1 4.1Å; M236-F334 HydrophobicContact CE-CE1 4.03Å; M236-F334 HydrophobicContact CE-CZ 4.45Å; M236-F334 HydrophobicContact SD-CD1 4.12Å; M236-F334 HydrophobicContact SD-CE1 3.44Å; M236-F334 WeakPolarHBondContact SD-CE1 3.41Å; M236-F334 HydrophobicContact SD-CE2 4.41Å; M236-F334 HydrophobicContact SD-CZ 3.59Å; M236-F334 VanDerWaalsContact SD-CZ 3.59Å; M236-F337 HydrophobicContact CB-CD1 4.28Å; M236-F337 HydrophobicContact CB-CD2 4.31Å; M236-F337 HydrophobicContact CB-CE1 3.8Å; M236-F337 HydrophobicContact CB-CE2 3.83Å; M236-F337 HydrophobicContact CB-CZ 3.55Å; M236-F337 HydrophobicContact CE-CB 3.55Å; M236-F337 HydrophobicContact CE-CD1 3.51Å; M236-F337 HydrophobicContact CE-CD2 4.07Å; M236-F337 HydrophobicContact CE-CE1 4.19Å; M236-F337 HydrophobicContact CE-CG 3.43Å; M236-F337 VanDerWaalsContact CE-CG 3.43Å; M236-F337 HydrophobicContact SD-CD1 4.34Å; M236-F377 HydrophobicContact CB-CB 4.11Å; M236-F377 PolarHBondContact N-O 2.86Å; M236-F377 PolarHBondContact O-N 3.18Å
237	D	96.9	Very high	91.6	Very high	1 Å²	1	23.8 Å²	23.8	1%	0.005	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	121.9	175	-173.6	-17.6	0	0	0	109.7	I68 E308 G309 S374	I68-D237 HydrophobicContact CD1-CB 4.06Å; I68-D237 HydrophobicContact CG2-CB 4.4Å; I68-D237 WeakPolarHBondContact CG2-OD2 3.47Å; D237-E308 HydrophobicContact CB-CB 4.27Å; D237-E308 PolarHBondContact O-N 3.36Å; D237-G309 PolarHBondContact N-O 2.83Å; D237-S374 WeakPolarHBondContact OD1-CB 3.49Å; D237-S374 PolarHBondContact OD1-OG 2.91Å
238	C	97.6	Very high	91.8	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	104.6	177.3	-175.9	0	0	0	0	110.3	F305 R306 S374 L375 F377	C238-F305 WeakPolarHBondContact SG-CD2 3.13Å; C238-R306 CarbonylContact C-O 3.54Å; C238-R306 WeakPolarHBondContact CA-O 3.17Å; C238-S374 CarbonylContact O-C 3.56Å; C238-S374 WeakPolarHBondContact O-CA 3.49Å; C238-S374 WeakPolarHBondContact O-CB 3.48Å; C238-L375 PolarHBondContact N-O 3.45Å; C238-L375 PolarHBondContact O-N 2.97Å; C238-F377 HydrophobicContact CB-CD2 4.26Å; C238-F377 HydrophobicContact CB-CE2 3.87Å
239	K	97.9	Very high	92.2	Very high	21 Å²	21	26.4 Å²	26.4	9%	0.091	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	134.2	175.3	-172.9	150.9	-75.8	158.5	0	110.6	T244 F305 R306 E308 G372 S374	K239-T244 HydrophobicContact CD-CG2 3.95Å; K239-T244 HydrophobicContact CG-CG2 4.02Å; K239-F305 CarbonylContact O-C 3.57Å; K239-F305 WeakPolarHBondContact O-CA 3.12Å; K239-F305 WeakPolarHBondContact O-CB 3.48Å; K239-R306 HydrophobicContact CB-CG 4.25Å; K239-R306 VanDerWaalsContact CD-NH2 3.28Å; K239-R306 PolarHBondContact N-O 2.77Å; K239-R306 PolarHBondContact O-N 3.23Å; K239-E308 HydrophobicContact CB-CG 3.71Å; K239-E308 HydrophobicContact CD-CG 4.41Å; K239-E308 IonicContact NZ-OE2 2.66Å; K239-E308 PolarHBondContact NZ-OE2 2.91Å; K239-G372 WeakPolarHBondContact CE-O 3.35Å; K239-S374 WeakPolarHBondContact CA-OG 3.33Å
240	M	98.4	Very high	92.9	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	156.5	-171.7	-60.6	-56	-65.9	0	0	112.6	F305 S373 L375 Y418 L422 L425	M240-F305 HydrophobicContact CE-CB 4.16Å; M240-F305 HydrophobicContact SD-CB 3.73Å; M240-S373 PolarHBondContact N-O 3.06Å; M240-L375 HydrophobicContact CE-CD1 3.87Å; M240-L375 HydrophobicContact CG-CB 4.41Å; M240-L375 HydrophobicContact CG-CD1 4.15Å; M240-L375 HydrophobicContact CG-CG 3.83Å; M240-L375 HydrophobicContact SD-CB 4.34Å; M240-L375 HydrophobicContact SD-CD1 3.69Å; M240-L375 HydrophobicContact SD-CG 3.95Å; M240-Y418 HydrophobicContact CB-CD2 3.62Å; M240-Y418 HydrophobicContact CB-CE2 3.27Å; M240-Y418 HydrophobicContact CB-CG 4.37Å; M240-Y418 HydrophobicContact CE-CE1 4.47Å; M240-Y418 HydrophobicContact CG-CE2 3.79Å; M240-L422 HydrophobicContact CE-CB 4.21Å; M240-L425 HydrophobicContact CE-CD2 4.34Å; M240-L425 HydrophobicContact SD-CD2 4.24Å
241	G	97.4	Very high	93.5	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.126	C	C	.	.	S	Bend	trans	103.9	160.4	178	0	0	0	0	0	113.6	R243 T300 G304 D416	G241-R243 VanDerWaalsContact C-N 3.27Å; G241-T300 VanDerWaalsContact O-CG2 3.26Å; G241-T300 WeakPolarHBondContact O-CG2 3.07Å; G241-G304 CarbonylContact C-O 3.25Å; G241-G304 WeakPolarHBondContact CA-O 3.01Å; G241-G304 PolarHBondContact N-O 2.63Å; G241-G304 CarbonylContact O-C 3.17Å; G241-G304 WeakPolarHBondContact O-CA 3.41Å; G241-G304 VanDerWaalsContact O-O 3.1Å; G241-D416 CarbonylContact C-O 3.55Å; G241-D416 VanDerWaalsContact CA-O 3.31Å; G241-D416 WeakPolarHBondContact CA-O 3.34Å
242	L	96.2	Very high	94	Very high	32 Å²	32	27 Å²	27	17%	0.168	13%	0.125	C	C	.	.	S	Bend	trans	-79.7	-8.8	172.7	-74.2	172.9	0	0	0	112.9	N301 D416 L420	L242-N301 PolarHBondContact O-OD1 3.1Å; L242-D416 PolarHBondContact N-O 3.35Å; L242-L420 HydrophobicContact CD1-CD1 3.68Å
243	R	95.1	Very high	94.3	Very high	1 Å²	1	23.2 Å²	23.2	0%	0.004	11%	0.112	C	C	.	.			trans	-147.4	153.7	176.2	66.9	-174.6	172.3	87.2	0.7	110.4	G241 Y245 E369 I371 W409 R414 E415	G241-R243 VanDerWaalsContact C-N 3.27Å; R243-Y245 HydrophobicContact CB-CE1 4.18Å; R243-Y245 PolarHBondContact NH1-O 3.48Å; R243-E369 IonicContact CZ-OE1 3.01Å; R243-E369 IonicContact NH1-OE1 2.71Å; R243-E369 PolarHBondContact NH1-OE1 2.86Å; R243-E369 IonicContact NH2-OE1 2.7Å; R243-E369 PolarHBondContact NH2-OE1 2.8Å; R243-I371 HydrophobicContact CG-CD1 3.67Å; R243-I371 VanDerWaalsContact CZ-CD1 3.46Å; R243-W409 VanDerWaalsContact NE-CD1 3.29Å; R243-R414 PolarHBondContact NH2-O 3.02Å; R243-E415 PolarHBondContact NE-O 2.88Å; R243-E415 PolarHBondContact NH2-O 2.91Å
244	T	94	Very high	94.3	Very high	3 Å²	3	31 Å²	31	2%	0.018	14%	0.14	C	C	.	.	S	Bend	trans	-122.6	14.1	-177.8	60.6	0	0	0	0	115.1	K239 M291 R294 D295 T300	K239-T244 HydrophobicContact CD-CG2 3.95Å; K239-T244 HydrophobicContact CG-CG2 4.02Å; T244-M291 WeakPolarHBondContact O-CE 3.19Å; T244-M291 WeakPolarHBondContact OG1-CE 3.46Å; T244-R294 PolarHBondContact OG1-NH2 2.64Å; T244-D295 PolarHBondContact N-OD2 2.71Å; T244-D295 PolarHBondContact OG1-OD1 2.67Å; T244-D295 PolarHBondContact OG1-OD2 3.06Å; T244-T300 HydrophobicContact CG2-CG2 4.16Å
245	Y	93.3	Very high	94.3	Very high	10 Å²	10	37.5 Å²	37.5	4%	0.039	17%	0.17	C	C	.	.	S	Bend	trans	-126.7	151.1	176.3	55.9	-93.9	0	0	0	109.3	R243 E249 L250 M291 Q292 W409	R243-Y245 HydrophobicContact CB-CE1 4.18Å; R243-Y245 PolarHBondContact NH1-O 3.48Å; Y245-E249 VanDerWaalsContact CA-OE2 3.28Å; Y245-E249 WeakPolarHBondContact CA-OE2 2.82Å; Y245-E249 WeakPolarHBondContact CB-OE2 3.13Å; Y245-L250 HydrophobicContact CD2-CD1 4.09Å; Y245-L250 HydrophobicContact CD2-CD2 4.09Å; Y245-L250 HydrophobicContact CD2-CG 3.8Å; Y245-L250 HydrophobicContact CE2-CD1 3.45Å; Y245-L250 VanDerWaalsContact CE2-CD1 3.45Å; Y245-L250 HydrophobicContact CE2-CD2 3.84Å; Y245-L250 HydrophobicContact CE2-CG 3.64Å; Y245-M291 HydrophobicContact CD1-CB 3.73Å; Y245-M291 HydrophobicContact CG-CB 4.36Å; Y245-Q292 HydrophobicContact CD1-CG 4.21Å; Y245-Q292 HydrophobicContact CE1-CB 4.38Å; Y245-Q292 HydrophobicContact CE1-CG 3.32Å; Y245-Q292 WeakPolarHBondContact OH-CG 3.44Å; Y245-Q292 PolarHBondContact OH-NE2 2.84Å; Y245-Q292 VanDerWaalsContact OH-NE2 3.12Å; Y245-W409 HydrophobicContact CE2-CH2 4.3Å; Y245-W409 HydrophobicContact CE2-CZ2 4.39Å; Y245-W409 WeakPolarHBondContact OH-CH2 3.47Å; Y245-W409 WeakPolarHBondContact OH-CZ3 3.41Å
246	L	94.1	Very high	94.1	Very high	28 Å²	28	44.8 Å²	44.8	15%	0.147	20%	0.198	C	C	.	.			trans	-77.9	151.8	177	-74.2	171.9	0	0	0	110.7	E248 E249 L250 E369 I371 K393	L246-E248 VanDerWaalsContact C-N 3.27Å; L246-E248 WeakPolarHBondContact CB-OE2 3.16Å; L246-E248 PolarHBondContact O-N 3.27Å; L246-E249 HydrophobicContact CB-CB 4.43Å; L246-E249 HydrophobicContact CB-CG 4Å; L246-E249 PolarHBondContact N-OE2 3.01Å; L246-E249 WeakPolarHBondContact O-CB 3.32Å; L246-E249 PolarHBondContact O-N 3.46Å; L246-E249 VanDerWaalsContact O-N 3.14Å; L246-L250 PolarHBondContact O-N 3.45Å; L246-E369 HydrophobicContact CD2-CG 4.22Å; L246-E369 VanDerWaalsContact CD2-OE1 3.28Å; L246-E369 WeakPolarHBondContact CD2-OE1 3.39Å; L246-I371 HydrophobicContact CD2-CB 4.04Å; L246-I371 HydrophobicContact CD2-CG1 4.12Å; L246-I371 HydrophobicContact CD2-CG2 4.37Å; L246-I371 HydrophobicContact CG-CG2 4.47Å; L246-K393 HydrophobicContact CD1-CB 4.38Å
247	E	92.9	Very high	93.8	Very high	29 Å²	29	48.8 Å²	48.8	14%	0.136	22%	0.224	C	C	.	.	H	α-helix	trans	-65	-35.8	177.3	-168.1	172.9	147	0	0	111.5	E249 L250 V251 E411 G412 R414	E247-E249 PolarHBondContact O-N 3.28Å; E247-L250 WeakPolarHBondContact O-CA 3.46Å; E247-L250 VanDerWaalsContact O-CB 3.31Å; E247-L250 WeakPolarHBondContact O-CB 3.28Å; E247-L250 PolarHBondContact O-N 3.29Å; E247-V251 PolarHBondContact O-N 3.06Å; E247-V251 VanDerWaalsContact O-N 3.1Å; E247-E411 HydrophobicContact CG-CG 4.35Å; E247-G412 WeakPolarHBondContact OE1-CA 3.42Å; E247-G412 PolarHBondContact OE1-N 2.78Å; E247-G412 PolarHBondContact OE2-N 2.75Å; E247-G412 VanDerWaalsContact OE2-N 3.1Å; E247-R414 PolarHBondContact OE2-N 3.39Å
248	E	91.4	Very high	93.6	Very high	75 Å²	75	53.8 Å²	53.8	35%	0.35	25%	0.246	S	C	.	.	H	α-helix	trans	-64.1	-28.2	175.7	-56.7	82.9	177	0	0	112.1	L246 L250 R252 R414	L246-E248 VanDerWaalsContact C-N 3.27Å; L246-E248 WeakPolarHBondContact CB-OE2 3.16Å; L246-E248 PolarHBondContact O-N 3.27Å; E248-L250 VanDerWaalsContact C-N 3.33Å; E248-R252 VanDerWaalsContact O-CB 3.24Å; E248-R252 WeakPolarHBondContact O-CB 3.22Å; E248-R252 PolarHBondContact O-N 2.98Å; E248-R414 IonicContact OE1-CZ 3.89Å; E248-R414 VanDerWaalsContact OE1-CZ 3.3Å; E248-R414 IonicContact OE1-NE 3.79Å; E248-R414 IonicContact OE1-NH1 3.3Å; E248-R414 IonicContact OE1-NH2 2.76Å; E248-R414 PolarHBondContact OE1-NH2 3.21Å
249	E	91.3	Very high	93.5	Very high	33 Å²	33	57.8 Å²	57.8	15%	0.154	27%	0.266	C	S	.	.	H	α-helix	trans	-67.8	-34.2	172.9	-69.9	175.1	147.8	0	0	111.1	Y245 L246 E247 A253 P288 K393	Y245-E249 VanDerWaalsContact CA-OE2 3.28Å; Y245-E249 WeakPolarHBondContact CA-OE2 2.82Å; Y245-E249 WeakPolarHBondContact CB-OE2 3.13Å; L246-E249 HydrophobicContact CB-CB 4.43Å; L246-E249 HydrophobicContact CB-CG 4Å; L246-E249 PolarHBondContact N-OE2 3.01Å; L246-E249 WeakPolarHBondContact O-CB 3.32Å; L246-E249 PolarHBondContact O-N 3.46Å; L246-E249 VanDerWaalsContact O-N 3.14Å; E247-E249 PolarHBondContact O-N 3.28Å; E249-A253 WeakPolarHBondContact O-CB 2.99Å; E249-A253 PolarHBondContact O-N 3.11Å; E249-A253 VanDerWaalsContact O-N 3.08Å; E249-P288 HydrophobicContact CB-CG 4.36Å; E249-P288 WeakPolarHBondContact O-CG 3.26Å; E249-K393 IonicContact OE1-NZ 3.53Å; E249-K393 PolarHBondContact OE1-NZ 2.78Å; E249-K393 IonicContact OE2-NZ 3.72Å; E249-K393 PolarHBondContact OE2-NZ 2.94Å
250	L	91.9	Very high	93.3	Very high	11 Å²	11	58.9 Å²	58.9	6%	0.058	27%	0.27	C	S	.	.	H	α-helix	trans	-68.1	-49	174.2	-69.6	174.2	0	0	0	111.6	Y245 L246 E247 E248 R252 A253 R254 P288 W409	Y245-L250 HydrophobicContact CD2-CD1 4.09Å; Y245-L250 HydrophobicContact CD2-CD2 4.09Å; Y245-L250 HydrophobicContact CD2-CG 3.8Å; Y245-L250 HydrophobicContact CE2-CD1 3.45Å; Y245-L250 VanDerWaalsContact CE2-CD1 3.45Å; Y245-L250 HydrophobicContact CE2-CD2 3.84Å; Y245-L250 HydrophobicContact CE2-CG 3.64Å; L246-L250 PolarHBondContact O-N 3.45Å; E247-L250 WeakPolarHBondContact O-CA 3.46Å; E247-L250 VanDerWaalsContact O-CB 3.31Å; E247-L250 WeakPolarHBondContact O-CB 3.28Å; E247-L250 PolarHBondContact O-N 3.29Å; E248-L250 VanDerWaalsContact C-N 3.33Å; L250-R252 VanDerWaalsContact C-N 3.33Å; L250-R252 PolarHBondContact O-N 3.46Å; L250-A253 PolarHBondContact O-N 3.46Å; L250-R254 PolarHBondContact O-N 3.43Å; L250-P288 HydrophobicContact CD2-CB 3.56Å; L250-P288 HydrophobicContact CD2-CG 4.47Å; L250-P288 HydrophobicContact CG-CB 4.5Å; L250-W409 HydrophobicContact CD1-CH2 3.85Å; L250-W409 HydrophobicContact CD1-CZ2 3.77Å
251	V	91.9	Very high	93.2	Very high	57 Å²	57	63.6 Å²	63.6	35%	0.345	29%	0.292	S	S	.	.	H	α-helix	trans	-58	-49	179.2	176.8	0	0	0	0	109.8	E247 A253 R254 E255	E247-V251 PolarHBondContact O-N 3.06Å; E247-V251 VanDerWaalsContact O-N 3.1Å; V251-A253 VanDerWaalsContact C-N 3.31Å; V251-A253 PolarHBondContact O-N 2.95Å; V251-R254 WeakPolarHBondContact O-CB 3.48Å; V251-R254 PolarHBondContact O-N 3.42Å; V251-R254 VanDerWaalsContact O-N 3.08Å; V251-E255 HydrophobicContact CG1-CG 4.49Å; V251-E255 WeakPolarHBondContact O-CG 3.39Å; V251-E255 PolarHBondContact O-N 2.9Å
252	R	92.2	Very high	93	Very high	151 Å²	151	66 Å²	66	57%	0.57	31%	0.305	S	S	*	.	H	α-helix	trans	-59.2	-40.4	177.9	-169.5	-173.9	-54.9	162.4	5.2	112.6	E248 L250 R254 E255 R256	E248-R252 VanDerWaalsContact O-CB 3.24Å; E248-R252 WeakPolarHBondContact O-CB 3.22Å; E248-R252 PolarHBondContact O-N 2.98Å; L250-R252 VanDerWaalsContact C-N 3.33Å; L250-R252 PolarHBondContact O-N 3.46Å; R252-R254 VanDerWaalsContact C-N 3.3Å; R252-R254 PolarHBondContact O-N 3.09Å; R252-E255 PolarHBondContact O-N 3.23Å; R252-R256 CarbonylContact O-C 3.43Å; R252-R256 PolarHBondContact O-N 2.79Å
253	A	90.9	Very high	92.9	Very high	21 Å²	21	64.8 Å²	64.8	17%	0.174	30%	0.298	C	S	.	.	H	α-helix	trans	-69.9	-26.1	178.6	0	0	0	0	0	113.3	E249 L250 V251 P257 P288	E249-A253 WeakPolarHBondContact O-CB 2.99Å; E249-A253 PolarHBondContact O-N 3.11Å; E249-A253 VanDerWaalsContact O-N 3.08Å; L250-A253 PolarHBondContact O-N 3.46Å; V251-A253 VanDerWaalsContact C-N 3.31Å; V251-A253 PolarHBondContact O-N 2.95Å; A253-P257 VanDerWaalsContact O-CA 3.28Å; A253-P257 WeakPolarHBondContact O-CA 3.44Å; A253-P257 WeakPolarHBondContact O-CB 3.38Å; A253-P288 HydrophobicContact CB-CG 3.67Å
254	R	90.7	Very high	92.9	Very high	168 Å²	168	66.1 Å²	66.1	63%	0.634	30%	0.304	S	S	*	.	H	α-helix	trans	-75.1	-41.4	172.1	-70.2	-178.1	-176.9	167.1	10.3	112	L250 V251 R252 E411	L250-R254 PolarHBondContact O-N 3.43Å; V251-R254 WeakPolarHBondContact O-CB 3.48Å; V251-R254 PolarHBondContact O-N 3.42Å; V251-R254 VanDerWaalsContact O-N 3.08Å; R252-R254 VanDerWaalsContact C-N 3.3Å; R252-R254 PolarHBondContact O-N 3.09Å; R254-E411 IonicContact CZ-OE1 3.59Å; R254-E411 IonicContact CZ-OE2 2.71Å; R254-E411 IonicContact NH1-OE1 3.33Å; R254-E411 PolarHBondContact NH1-OE1 2.67Å; R254-E411 IonicContact NH1-OE2 3.09Å; R254-E411 IonicContact NH2-OE1 2.69Å; R254-E411 PolarHBondContact NH2-OE1 3.4Å; R254-E411 IonicContact NH2-OE2 3.44Å; R254-E411 PolarHBondContact NH2-OE2 3.23Å
255	E	93.6	Very high	92.9	Very high	145 Å²	145	70.8 Å²	70.8	68%	0.678	32%	0.324	S	S	*	.	H	α-helix	trans	-73.1	-43.8	-180	-68.1	177.1	170.9	0	0	112.4	V251 R252	V251-E255 HydrophobicContact CG1-CG 4.49Å; V251-E255 WeakPolarHBondContact O-CG 3.39Å; V251-E255 PolarHBondContact O-N 2.9Å; R252-E255 PolarHBondContact O-N 3.23Å
256	R	91.8	Very high	92.9	Very high	155 Å²	155	71.8 Å²	71.8	59%	0.585	33%	0.328	S	S	*	.	S	Bend	trans	-137.4	77	-175.3	-64	-179.3	72.3	178.3	1.3	109.9	R252 K258	R252-R256 CarbonylContact O-C 3.43Å; R252-R256 PolarHBondContact O-N 2.79Å; R256-K258 PolarHBondContact O-N 3.43Å; R256-K258 VanDerWaalsContact O-N 3.12Å
257	P	90.8	Very high	92.8	Very high	84 Å²	84	70.7 Å²	70.7	55%	0.545	32%	0.322	S	S	.	.			trans	-64.3	115.1	-178.7	24.8	-33.1	0	0	0	110.9	A253 T286	A253-P257 VanDerWaalsContact O-CA 3.28Å; A253-P257 WeakPolarHBondContact O-CA 3.44Å; A253-P257 WeakPolarHBondContact O-CB 3.38Å; P257-T286 HydrophobicContact CB-CG2 4.22Å
258	K	92.4	Very high	92.9	Very high	106 Å²	106	71.6 Å²	71.6	46%	0.461	33%	0.327	S	S	.	.			trans	-100.9	111.9	170.5	-66.8	-173.1	-178	-179.5	0	109.2	D114 R256	D114-K258 IonicContact OD2-NZ 2.75Å; D114-K258 PolarHBondContact OD2-NZ 3.48Å; R256-K258 PolarHBondContact O-N 3.43Å; R256-K258 VanDerWaalsContact O-N 3.12Å
259	L	94.4	Very high	92.9	Very high	83 Å²	83	74.7 Å²	74.7	44%	0.435	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	137.8	179.1	-63	177.8	0	0	0	110.8	Q282 T286	L259-Q282 HydrophobicContact CD1-CB 4.03Å; L259-Q282 HydrophobicContact CD1-CG 4.28Å; L259-T286 HydrophobicContact CD2-CG2 4.06Å
260	R	95.3	Very high	92.9	Very high	45 Å²	45	74.1 Å²	74.1	17%	0.17	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	114.9	-178.8	-84.2	-175.8	54	179.6	-6.6	111.7	D118 D262 L263 Y264 G284 I285	D118-R260 IonicContact OD2-CZ 2.68Å; D118-R260 IonicContact OD2-NH1 3.52Å; D118-R260 PolarHBondContact OD2-NH1 3.37Å; D118-R260 IonicContact OD2-NH2 2.91Å; D118-R260 PolarHBondContact OD2-NH2 2.93Å; D118-R260 VanDerWaalsContact OD2-NH2 3.09Å; R260-D262 WeakPolarHBondContact CB-OD1 3.39Å; R260-D262 IonicContact CZ-OD1 3.83Å; R260-D262 IonicContact CZ-OD2 3.45Å; R260-D262 IonicContact NE-OD1 2.79Å; R260-D262 PolarHBondContact NE-OD1 3.22Å; R260-D262 IonicContact NE-OD2 3.08Å; R260-D262 IonicContact NH2-OD1 2.67Å; R260-D262 IonicContact NH2-OD2 2.64Å; R260-D262 PolarHBondContact NH2-OD2 3.3Å; R260-L263 HydrophobicContact CB-CB 4.17Å; R260-L263 HydrophobicContact CB-CD1 4.02Å; R260-L263 HydrophobicContact CB-CG 4.02Å; R260-L263 VanDerWaalsContact NH2-CD2 3.3Å; R260-Y264 PolarHBondContact O-N 2.78Å; R260-G284 WeakPolarHBondContact O-CA 3.34Å; R260-I285 WeakPolarHBondContact CB-O 3.24Å; R260-I285 PolarHBondContact N-O 2.92Å; R260-I285 PolarHBondContact O-N 2.95Å; R260-I285 VanDerWaalsContact O-N 3.11Å
261	E	95.5	Very high	92.9	Very high	98 Å²	98	76 Å²	76	46%	0.458	35%	0.35	S	S	.	.	H	α-helix	trans	-70.5	-32.6	178.7	-175.4	-177	173	0	0	112	Y264 K265 R283	E261-Y264 WeakPolarHBondContact O-CB 3.2Å; E261-Y264 PolarHBondContact O-N 2.85Å; E261-K265 VanDerWaalsContact CD-NZ 3.32Å; E261-K265 HydrophobicContact CG-CD 4.36Å; E261-K265 WeakPolarHBondContact O-CG 3.45Å; E261-K265 PolarHBondContact O-N 3.1Å; E261-K265 WeakPolarHBondContact OE1-CE 3.32Å; E261-K265 IonicContact OE1-NZ 3.3Å; E261-K265 PolarHBondContact OE1-NZ 3.46Å; E261-R283 WeakPolarHBondContact CA-O 3.35Å; E261-R283 WeakPolarHBondContact CG-O 3.49Å
262	D	93.5	Very high	92.9	Very high	50 Å²	50	82.1 Å²	82.1	27%	0.267	37%	0.367	S	S	.	.	H	α-helix	trans	-64.9	-42.3	178.7	72.1	-59.5	0	0	0	111.6	R260 K265 K266	R260-D262 WeakPolarHBondContact CB-OD1 3.39Å; R260-D262 IonicContact CZ-OD1 3.83Å; R260-D262 IonicContact CZ-OD2 3.45Å; R260-D262 IonicContact NE-OD1 2.79Å; R260-D262 PolarHBondContact NE-OD1 3.22Å; R260-D262 IonicContact NE-OD2 3.08Å; R260-D262 IonicContact NH2-OD1 2.67Å; R260-D262 IonicContact NH2-OD2 2.64Å; R260-D262 PolarHBondContact NH2-OD2 3.3Å; D262-K265 PolarHBondContact O-N 2.8Å; D262-K266 WeakPolarHBondContact O-CG 3.28Å; D262-K266 PolarHBondContact O-N 3.23Å
263	L	93.7	Very high	92.9	Very high	7 Å²	7	82.8 Å²	82.8	4%	0.037	38%	0.377	C	S	.	.	H	α-helix	trans	-67.3	-39.7	175.5	-65.9	-176.5	0	0	0	111.9	R260 K266 M267 K287 Y290	R260-L263 HydrophobicContact CB-CB 4.17Å; R260-L263 HydrophobicContact CB-CD1 4.02Å; R260-L263 HydrophobicContact CB-CG 4.02Å; R260-L263 VanDerWaalsContact NH2-CD2 3.3Å; L263-K266 HydrophobicContact CD2-CD 4.27Å; L263-K266 PolarHBondContact O-N 2.95Å; L263-M267 WeakPolarHBondContact O-CB 3.39Å; L263-M267 PolarHBondContact O-N 3.43Å; L263-K287 HydrophobicContact CD1-CB 4.08Å; L263-K287 HydrophobicContact CD1-CG 4.33Å; L263-Y290 HydrophobicContact CB-CD2 4.03Å; L263-Y290 HydrophobicContact CB-CG 4.05Å; L263-Y290 HydrophobicContact CD1-CD1 4.31Å; L263-Y290 HydrophobicContact CD1-CG 4.14Å; L263-Y290 HydrophobicContact CD2-CD1 3.75Å; L263-Y290 HydrophobicContact CD2-CD2 4.31Å; L263-Y290 HydrophobicContact CD2-CE1 3.91Å; L263-Y290 HydrophobicContact CD2-CE2 4.45Å; L263-Y290 HydrophobicContact CD2-CG 3.96Å; L263-Y290 HydrophobicContact CG-CD1 4.47Å; L263-Y290 HydrophobicContact CG-CG 4.27Å
264	Y	95.3	Very high	92.9	Very high	29 Å²	29	82.9 Å²	82.9	11%	0.114	38%	0.38	C	S	.	.	H	α-helix	trans	-57.6	-48.9	173.1	170.9	-102.9	0	0	0	111.4	R260 E261 K266 M267 M268 P275 H280 R283 I285	R260-Y264 PolarHBondContact O-N 2.78Å; E261-Y264 WeakPolarHBondContact O-CB 3.2Å; E261-Y264 PolarHBondContact O-N 2.85Å; Y264-K266 PolarHBondContact O-N 3.14Å; Y264-M267 PolarHBondContact O-N 2.98Å; Y264-M268 HydrophobicContact CD1-CG 4.37Å; Y264-M268 HydrophobicContact CD2-CG 4.22Å; Y264-M268 HydrophobicContact CE1-CG 3.93Å; Y264-M268 HydrophobicContact CE2-CG 3.76Å; Y264-M268 HydrophobicContact CE2-SD 4.11Å; Y264-M268 WeakPolarHBondContact O-CB 3.27Å; Y264-M268 VanDerWaalsContact O-CG 3.3Å; Y264-M268 WeakPolarHBondContact O-CG 3.41Å; Y264-M268 PolarHBondContact O-N 3.08Å; Y264-P275 HydrophobicContact CD2-CB 4.17Å; Y264-P275 HydrophobicContact CD2-CG 4.02Å; Y264-P275 HydrophobicContact CE2-CB 3.9Å; Y264-P275 HydrophobicContact CE2-CG 3.83Å; Y264-H280 AromaticContact CE2-ND1 3.68Å; Y264-H280 AromaticContact CZ-ND1 3.78Å; Y264-H280 PolarHBondContact OH-ND1 2.75Å; Y264-R283 HydrophobicContact CD1-CB 4.19Å; Y264-R283 HydrophobicContact CE1-CB 4.12Å; Y264-R283 HydrophobicContact CE1-CG 4.31Å; Y264-I285 HydrophobicContact CD2-CD1 3.95Å; Y264-I285 HydrophobicContact CD2-CG1 4.03Å
265	K	94.9	Very high	93.1	Very high	102 Å²	102	75.2 Å²	75.2	44%	0.443	35%	0.352	S	S	.	.	H	α-helix	trans	-59.2	-45.2	177.1	-73.9	171.5	-178.3	161.7	0	111.8	E261 D262 M267 M268 E269	E261-K265 VanDerWaalsContact CD-NZ 3.32Å; E261-K265 HydrophobicContact CG-CD 4.36Å; E261-K265 WeakPolarHBondContact O-CG 3.45Å; E261-K265 PolarHBondContact O-N 3.1Å; E261-K265 WeakPolarHBondContact OE1-CE 3.32Å; E261-K265 IonicContact OE1-NZ 3.3Å; E261-K265 PolarHBondContact OE1-NZ 3.46Å; D262-K265 PolarHBondContact O-N 2.8Å; K265-M267 VanDerWaalsContact C-N 3.33Å; K265-M267 PolarHBondContact O-N 3.45Å; K265-M268 WeakPolarHBondContact O-CB 3.43Å; K265-M268 PolarHBondContact O-N 2.99Å; K265-E269 WeakPolarHBondContact O-CG 3.35Å; K265-E269 PolarHBondContact O-N 3.27Å
266	K	91.5	Very high	93.1	Very high	31 Å²	31	70.5 Å²	70.5	14%	0.135	34%	0.335	C	S	.	.	H	α-helix	trans	-61.4	-39.8	176.9	-74.4	170.8	174.6	-179.9	0	112.9	E120 D262 L263 Y264 V270 Y290	E120-K266 VanDerWaalsContact CB-NZ 3.32Å; E120-K266 VanDerWaalsContact CG-NZ 3.28Å; E120-K266 WeakPolarHBondContact OE2-CE 3.4Å; E120-K266 IonicContact OE2-NZ 3.59Å; E120-K266 PolarHBondContact OE2-NZ 3.11Å; D262-K266 WeakPolarHBondContact O-CG 3.28Å; D262-K266 PolarHBondContact O-N 3.23Å; L263-K266 HydrophobicContact CD2-CD 4.27Å; L263-K266 PolarHBondContact O-N 2.95Å; Y264-K266 PolarHBondContact O-N 3.14Å; K266-V270 WeakPolarHBondContact O-CG2 3.42Å; K266-Y290 HydrophobicContact CB-CE2 4.07Å
267	M	93.8	Very high	93.3	Very high	4 Å²	4	68.5 Å²	68.5	2%	0.02	34%	0.342	C	S	.	.	H	α-helix	trans	-64.9	-48.9	176.7	-170.9	152.1	166.1	0	0	110.3	L263 Y264 K265 E269 V270 D271 G274 P275 I285 Y290 W293	L263-M267 WeakPolarHBondContact O-CB 3.39Å; L263-M267 PolarHBondContact O-N 3.43Å; Y264-M267 PolarHBondContact O-N 2.98Å; K265-M267 VanDerWaalsContact C-N 3.33Å; K265-M267 PolarHBondContact O-N 3.45Å; M267-E269 VanDerWaalsContact C-N 3.3Å; M267-E269 PolarHBondContact O-N 3.2Å; M267-V270 PolarHBondContact O-N 3.41Å; M267-D271 CarbonylContact O-C 3.44Å; M267-D271 PolarHBondContact O-N 2.83Å; M267-D271 VanDerWaalsContact O-O 3.05Å; M267-G274 WeakPolarHBondContact CE-O 3.48Å; M267-P275 HydrophobicContact CB-CG 4.44Å; M267-P275 HydrophobicContact CE-CG 4.34Å; M267-P275 HydrophobicContact CG-CG 3.99Å; M267-P275 HydrophobicContact SD-CG 4.41Å; M267-I285 HydrophobicContact CB-CD1 4.19Å; M267-I285 HydrophobicContact CE-CD1 4.25Å; M267-I285 HydrophobicContact CG-CD1 4.22Å; M267-I285 HydrophobicContact SD-CD1 3.36Å; M267-I285 WeakPolarHBondContact SD-CD1 3.35Å; M267-Y290 HydrophobicContact CB-CD2 4.2Å; M267-Y290 HydrophobicContact CB-CE2 4.25Å; M267-Y290 HydrophobicContact SD-CD2 4.33Å; M267-W293 HydrophobicContact CB-CE3 4.44Å; M267-W293 HydrophobicContact CB-CH2 4.39Å; M267-W293 HydrophobicContact CB-CZ3 4.3Å; M267-W293 HydrophobicContact CE-CB 3.68Å; M267-W293 HydrophobicContact CE-CD2 3.73Å; M267-W293 HydrophobicContact CE-CG 3.24Å; M267-W293 HydrophobicContact CG-CD2 3.72Å; M267-W293 HydrophobicContact CG-CE3 3.91Å; M267-W293 HydrophobicContact CG-CG 4.31Å; M267-W293 HydrophobicContact CG-CH2 4.1Å; M267-W293 HydrophobicContact CG-CZ2 3.88Å; M267-W293 HydrophobicContact CG-CZ3 4.11Å; M267-W293 HydrophobicContact SD-CB 4.07Å; M267-W293 HydrophobicContact SD-CD2 3.61Å; M267-W293 HydrophobicContact SD-CE3 3.87Å; M267-W293 HydrophobicContact SD-CG 3.7Å
268	M	94.5	Very high	93.5	Very high	48 Å²	48	69.6 Å²	69.6	24%	0.236	34%	0.34	C	S	.	.	H	α-helix	trans	-58.3	-35.1	176.6	-75	-64.6	-66.4	0	0	114.5	Y264 K265 V270 R272 P275 H280	Y264-M268 HydrophobicContact CD1-CG 4.37Å; Y264-M268 HydrophobicContact CD2-CG 4.22Å; Y264-M268 HydrophobicContact CE1-CG 3.93Å; Y264-M268 HydrophobicContact CE2-CG 3.76Å; Y264-M268 HydrophobicContact CE2-SD 4.11Å; Y264-M268 WeakPolarHBondContact O-CB 3.27Å; Y264-M268 VanDerWaalsContact O-CG 3.3Å; Y264-M268 WeakPolarHBondContact O-CG 3.41Å; Y264-M268 PolarHBondContact O-N 3.08Å; K265-M268 WeakPolarHBondContact O-CB 3.43Å; K265-M268 PolarHBondContact O-N 2.99Å; M268-V270 VanDerWaalsContact C-N 3.26Å; M268-V270 PolarHBondContact O-N 3.46Å; M268-R272 HydrophobicContact CE-CB 4.16Å; M268-R272 HydrophobicContact CE-CG 4.11Å; M268-R272 WeakPolarHBondContact O-CG 3.32Å; M268-P275 HydrophobicContact CG-CG 4.19Å; M268-P275 HydrophobicContact SD-CG 3.81Å; M268-H280 PolarHBondContact SD-CE1 3.32Å
269	E	91.9	Very high	93.6	Very high	141 Å²	141	65.8 Å²	65.8	66%	0.659	32%	0.324	S	S	*	.	H	α-helix	trans	-64.9	-32.1	176.7	-78.5	173.1	-175.3	0	0	112.4	K265 M267	K265-E269 WeakPolarHBondContact O-CG 3.35Å; K265-E269 PolarHBondContact O-N 3.27Å; M267-E269 VanDerWaalsContact C-N 3.3Å; M267-E269 PolarHBondContact O-N 3.2Å
270	V	90.2	Very high	93.7	Very high	20 Å²	20	64.8 Å²	64.8	12%	0.121	32%	0.316	C	S	.	.	H	α-helix	trans	-93.7	-45	-176.1	178.2	0	0	0	0	110.9	K266 M267 M268 W293 M297 K322 K323	K266-V270 WeakPolarHBondContact O-CG2 3.42Å; M267-V270 PolarHBondContact O-N 3.41Å; M268-V270 VanDerWaalsContact C-N 3.26Å; M268-V270 PolarHBondContact O-N 3.46Å; V270-W293 HydrophobicContact CB-CH2 3.65Å; V270-W293 HydrophobicContact CB-CZ2 3.95Å; V270-W293 HydrophobicContact CG1-CH2 3.76Å; V270-W293 HydrophobicContact CG1-CZ2 3.87Å; V270-W293 HydrophobicContact CG2-CH2 4.09Å; V270-M297 HydrophobicContact CG1-CE 4.39Å; V270-K322 HydrophobicContact CG1-CB 4.44Å; V270-K322 HydrophobicContact CG2-CD 3.55Å; V270-K323 VanDerWaalsContact CG1-CE 3.46Å; V270-K323 HydrophobicContact CG1-CG 4.32Å; V270-K323 VanDerWaalsContact O-CE 3.24Å; V270-K323 WeakPolarHBondContact O-CE 3.48Å; V270-K323 PolarHBondContact O-NZ 2.97Å
271	D	92	Very high	93.7	Very high	50 Å²	50	70.8 Å²	70.8	27%	0.267	34%	0.344	S	S	.	.			trans	-148.1	110.2	-177.8	-175.8	9.9	0	0	0	110.5	M267 E273 G274 W293	M267-D271 CarbonylContact O-C 3.44Å; M267-D271 PolarHBondContact O-N 2.83Å; M267-D271 VanDerWaalsContact O-O 3.05Å; D271-E273 VanDerWaalsContact C-N 3.27Å; D271-E273 PolarHBondContact O-N 3.07Å; D271-E273 PolarHBondContact OD1-N 3.08Å; D271-E273 VanDerWaalsContact OD1-N 3.14Å; D271-G274 PolarHBondContact O-N 3.02Å; D271-W293 HydrophobicContact CB-CZ2 3.97Å
272	R	92.9	Very high	93.6	Very high	186 Å²	186	70.1 Å²	70.1	70%	0.702	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-23.2	-178.2	-66.7	-174.7	178.8	-174.9	0.2	113.3	M268 G274 H280	M268-R272 HydrophobicContact CE-CB 4.16Å; M268-R272 HydrophobicContact CE-CG 4.11Å; M268-R272 WeakPolarHBondContact O-CG 3.32Å; R272-G274 VanDerWaalsContact C-N 3.34Å; R272-H280 PolarHBondContact O-CE1 3.21Å; R272-H280 PolarHBondContact O-NE2 3.48Å
273	E	92.3	Very high	93.7	Very high	166 Å²	166	75.5 Å²	75.5	78%	0.776	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.8	0.2	178	-55	-58.8	131.4	0	0	111.7	D271	D271-E273 VanDerWaalsContact C-N 3.27Å; D271-E273 PolarHBondContact O-N 3.07Å; D271-E273 PolarHBondContact OD1-N 3.08Å; D271-E273 VanDerWaalsContact OD1-N 3.14Å
274	G	90.4	Very high	93.7	Very high	23 Å²	23	75.3 Å²	75.3	24%	0.237	36%	0.357	C	S	.	.	S	Bend	trans	-62.9	-52.5	179.3	0	0	0	0	0	112.8	M267 D271 R272	M267-G274 WeakPolarHBondContact CE-O 3.48Å; D271-G274 PolarHBondContact O-N 3.02Å; R272-G274 VanDerWaalsContact C-N 3.34Å
275	P	94.7	Very high	93.7	Very high	7 Å²	7	74 Å²	74	5%	0.045	35%	0.352	C	S	.	.	S	Bend	trans	-66.2	146.2	-179.3	-22.2	35.4	0	0	0	112.8	Y264 M267 M268 E279 H280 I285	Y264-P275 HydrophobicContact CD2-CB 4.17Å; Y264-P275 HydrophobicContact CD2-CG 4.02Å; Y264-P275 HydrophobicContact CE2-CB 3.9Å; Y264-P275 HydrophobicContact CE2-CG 3.83Å; M267-P275 HydrophobicContact CB-CG 4.44Å; M267-P275 HydrophobicContact CE-CG 4.34Å; M267-P275 HydrophobicContact CG-CG 3.99Å; M267-P275 HydrophobicContact SD-CG 4.41Å; M268-P275 HydrophobicContact CG-CG 4.19Å; M268-P275 HydrophobicContact SD-CG 3.81Å; P275-E279 HydrophobicContact CB-CB 4.1Å; P275-H280 PolarHBondContact O-CD2 3.45Å; P275-H280 PolarHBondContact O-NE2 2.73Å; P275-I285 HydrophobicContact CB-CD1 3.94Å; P275-I285 HydrophobicContact CG-CD1 3.93Å
276	S	94.1	Very high	93.7	Very high	45 Å²	45	70.4 Å²	70.4	32%	0.315	34%	0.339	S	S	.	.			trans	-69.4	161.3	171.8	66.9	0	0	0	0	112	Q278 E279 H280	S276-Q278 PolarHBondContact O-N 2.71Å; S276-Q278 VanDerWaalsContact O-N 3.17Å; S276-E279 VanDerWaalsContact CB-OE2 3.31Å; S276-E279 WeakPolarHBondContact CB-OE2 3.34Å; S276-E279 PolarHBondContact N-OE2 2.86Å; S276-E279 PolarHBondContact O-N 3.36Å; S276-E279 VanDerWaalsContact OG-CD 3.26Å; S276-E279 VanDerWaalsContact OG-CG 3.26Å; S276-E279 WeakPolarHBondContact OG-CG 3.4Å; S276-E279 PolarHBondContact OG-N 3.11Å; S276-E279 PolarHBondContact OG-OE2 2.93Å; S276-H280 PolarHBondContact O-CD2 3.03Å; S276-H280 PolarHBondContact O-N 3.23Å
277	P	95.7	Very high	93.7	Very high	113 Å²	113	71.8 Å²	71.8	73%	0.734	35%	0.345	S	S	*	.	H	α-helix	trans	-55.6	-34.9	176.2	-27.4	35.6	0	0	0	113.7	F281	P277-F281 PolarHBondContact O-N 2.92Å; P277-F281 VanDerWaalsContact O-N 3.11Å
278	Q	94.2	Very high	93.6	Very high	108 Å²	108	72.1 Å²	72.1	51%	0.505	35%	0.348	S	S	.	.	H	α-helix	trans	-68.4	-42.9	176.2	-176.8	65.5	11.4	0	0	111.6	S276 F281 Q282	S276-Q278 PolarHBondContact O-N 2.71Å; S276-Q278 VanDerWaalsContact O-N 3.17Å; Q278-F281 WeakPolarHBondContact O-CB 3.31Å; Q278-F281 PolarHBondContact O-N 2.7Å; Q278-Q282 WeakPolarHBondContact O-CB 3.5Å; Q278-Q282 WeakPolarHBondContact O-CG 3.38Å; Q278-Q282 PolarHBondContact O-N 3.36Å
279	E	94.9	Very high	93.6	Very high	26 Å²	26	71.4 Å²	71.4	12%	0.121	35%	0.347	C	S	.	.	H	α-helix	trans	-67.8	-35.3	178.1	-72.2	164.8	141.6	0	0	111.9	P275 S276 Q282 R283 G284 I285 C289	P275-E279 HydrophobicContact CB-CB 4.1Å; S276-E279 VanDerWaalsContact CB-OE2 3.31Å; S276-E279 WeakPolarHBondContact CB-OE2 3.34Å; S276-E279 PolarHBondContact N-OE2 2.86Å; S276-E279 PolarHBondContact O-N 3.36Å; S276-E279 VanDerWaalsContact OG-CD 3.26Å; S276-E279 VanDerWaalsContact OG-CG 3.26Å; S276-E279 WeakPolarHBondContact OG-CG 3.4Å; S276-E279 PolarHBondContact OG-N 3.11Å; S276-E279 PolarHBondContact OG-OE2 2.93Å; E279-Q282 PolarHBondContact O-N 2.78Å; E279-R283 WeakPolarHBondContact O-CA 3.24Å; E279-R283 PolarHBondContact O-N 3.01Å; E279-G284 PolarHBondContact O-N 3.4Å; E279-I285 HydrophobicContact CB-CD1 4.43Å; E279-I285 HydrophobicContact CB-CG1 3.87Å; E279-I285 HydrophobicContact CG-CG1 3.92Å; E279-C289 PolarHBondContact OE1-SG 3.05Å
280	H	96	Very high	93.7	Very high	61 Å²	61	65.7 Å²	65.7	28%	0.282	32%	0.319	S	S	.	.	H	α-helix	trans	-61.1	-44.3	170	-78.9	-60.8	0	0	0	112.4	Y264 M268 R272 P275 S276 Q282 R283	Y264-H280 AromaticContact CE2-ND1 3.68Å; Y264-H280 AromaticContact CZ-ND1 3.78Å; Y264-H280 PolarHBondContact OH-ND1 2.75Å; M268-H280 PolarHBondContact SD-CE1 3.32Å; R272-H280 PolarHBondContact O-CE1 3.21Å; R272-H280 PolarHBondContact O-NE2 3.48Å; P275-H280 PolarHBondContact O-CD2 3.45Å; P275-H280 PolarHBondContact O-NE2 2.73Å; S276-H280 PolarHBondContact O-CD2 3.03Å; S276-H280 PolarHBondContact O-N 3.23Å; H280-Q282 VanDerWaalsContact C-N 3.35Å; H280-R283 PolarHBondContact O-N 3.38Å
281	F	95.3	Very high	93.8	Very high	171 Å²	171	65.2 Å²	65.2	75%	0.75	32%	0.316	S	S	*	.	H	α-helix	trans	-62.9	-43.6	177.4	178.7	-98.3	0	0	0	111.4	P277 Q278 R283	P277-F281 PolarHBondContact O-N 2.92Å; P277-F281 VanDerWaalsContact O-N 3.11Å; Q278-F281 WeakPolarHBondContact O-CB 3.31Å; Q278-F281 PolarHBondContact O-N 2.7Å; F281-R283 VanDerWaalsContact C-N 3.33Å
282	Q	94.4	Very high	93.9	Very high	84 Å²	84	66.5 Å²	66.5	39%	0.393	32%	0.32	S	S	.	.	H	α-helix	trans	-78.1	-16.5	-179.7	-68.3	177	-22.1	0	0	113.7	L259 Q278 E279 H280 G284	L259-Q282 HydrophobicContact CD1-CB 4.03Å; L259-Q282 HydrophobicContact CD1-CG 4.28Å; Q278-Q282 WeakPolarHBondContact O-CB 3.5Å; Q278-Q282 WeakPolarHBondContact O-CG 3.38Å; Q278-Q282 PolarHBondContact O-N 3.36Å; E279-Q282 PolarHBondContact O-N 2.78Å; H280-Q282 VanDerWaalsContact C-N 3.35Å; Q282-G284 PolarHBondContact O-N 2.93Å
283	R	94.7	Very high	94	Very high	164 Å²	164	58.9 Å²	58.9	62%	0.619	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	51	35.5	-172.2	-59.4	-175.1	174.4	-165.2	-0.7	113.1	E261 Y264 E279 H280 F281	E261-R283 WeakPolarHBondContact CA-O 3.35Å; E261-R283 WeakPolarHBondContact CG-O 3.49Å; Y264-R283 HydrophobicContact CD1-CB 4.19Å; Y264-R283 HydrophobicContact CE1-CB 4.12Å; Y264-R283 HydrophobicContact CE1-CG 4.31Å; E279-R283 WeakPolarHBondContact O-CA 3.24Å; E279-R283 PolarHBondContact O-N 3.01Å; H280-R283 PolarHBondContact O-N 3.38Å; F281-R283 VanDerWaalsContact C-N 3.33Å
284	G	94.8	Very high	94	Very high	3 Å²	3	53 Å²	53	3%	0.031	26%	0.262	C	S	.	.			trans	-155.8	144.2	-176.3	0	0	0	0	0	110.7	R260 E279 Q282	R260-G284 WeakPolarHBondContact O-CA 3.34Å; E279-G284 PolarHBondContact O-N 3.4Å; Q282-G284 PolarHBondContact O-N 2.93Å
285	I	95.2	Very high	94.1	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	145.6	-179.7	-65.2	-178.5	0	0	0	108.2	R260 Y264 M267 P275 E279 C289	R260-I285 WeakPolarHBondContact CB-O 3.24Å; R260-I285 PolarHBondContact N-O 2.92Å; R260-I285 PolarHBondContact O-N 2.95Å; R260-I285 VanDerWaalsContact O-N 3.11Å; Y264-I285 HydrophobicContact CD2-CD1 3.95Å; Y264-I285 HydrophobicContact CD2-CG1 4.03Å; M267-I285 HydrophobicContact CB-CD1 4.19Å; M267-I285 HydrophobicContact CE-CD1 4.25Å; M267-I285 HydrophobicContact CG-CD1 4.22Å; M267-I285 HydrophobicContact SD-CD1 3.36Å; M267-I285 WeakPolarHBondContact SD-CD1 3.35Å; P275-I285 HydrophobicContact CB-CD1 3.94Å; P275-I285 HydrophobicContact CG-CD1 3.93Å; E279-I285 HydrophobicContact CB-CD1 4.43Å; E279-I285 HydrophobicContact CB-CG1 3.87Å; E279-I285 HydrophobicContact CG-CG1 3.92Å; I285-C289 HydrophobicContact CG2-CB 3.73Å
286	T	94.2	Very high	94.1	Very high	27 Å²	27	53.7 Å²	53.7	17%	0.166	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	149.6	173.9	64.7	0	0	0	0	110.6	P257 L259 C289 Y290	P257-T286 HydrophobicContact CB-CG2 4.22Å; L259-T286 HydrophobicContact CD2-CG2 4.06Å; T286-C289 PolarHBondContact O-N 2.93Å; T286-C289 WeakPolarHBondContact OG1-CB 3.39Å; T286-C289 PolarHBondContact OG1-N 3.13Å; T286-Y290 PolarHBondContact O-N 3.01Å; T286-Y290 VanDerWaalsContact O-N 3.09Å
287	K	91.8	Very high	94	Very high	60 Å²	60	53.5 Å²	53.5	26%	0.261	26%	0.258	S	S	.	.	H	α-helix	trans	-53.7	-47.5	179.3	-174.7	176	-175.2	170.9	0	112.5	L263 C289 Y290 M291	L263-K287 HydrophobicContact CD1-CB 4.08Å; L263-K287 HydrophobicContact CD1-CG 4.33Å; K287-C289 PolarHBondContact O-N 3.28Å; K287-Y290 PolarHBondContact O-N 3.48Å; K287-M291 HydrophobicContact CG-CG 4.24Å; K287-M291 WeakPolarHBondContact O-CG 3.34Å; K287-M291 PolarHBondContact O-N 2.96Å
288	P	91.5	Very high	93.9	Very high	12 Å²	12	48.2 Å²	48.2	8%	0.078	22%	0.224	C	C	.	.	H	α-helix	trans	-64.6	-36.9	179.8	-23.1	36	0	0	0	113.9	E249 L250 A253 Y290 M291 Q292	E249-P288 HydrophobicContact CB-CG 4.36Å; E249-P288 WeakPolarHBondContact O-CG 3.26Å; L250-P288 HydrophobicContact CD2-CB 3.56Å; L250-P288 HydrophobicContact CD2-CG 4.47Å; L250-P288 HydrophobicContact CG-CB 4.5Å; A253-P288 HydrophobicContact CB-CG 3.67Å; P288-Y290 PolarHBondContact O-N 2.53Å; P288-M291 PolarHBondContact O-N 3.47Å; P288-Q292 WeakPolarHBondContact O-CB 3.43Å; P288-Q292 WeakPolarHBondContact O-CG 3.49Å; P288-Q292 PolarHBondContact O-N 3.44Å
289	C	93.6	Very high	94.1	Very high	33 Å²	33	43.1 Å²	43.1	22%	0.223	20%	0.2	C	C	.	.	H	α-helix	trans	-60.5	-47.1	175.2	-178.6	0	0	0	0	111.3	E279 I285 T286 K287 M291 Q292 W293	E279-C289 PolarHBondContact OE1-SG 3.05Å; I285-C289 HydrophobicContact CG2-CB 3.73Å; T286-C289 PolarHBondContact O-N 2.93Å; T286-C289 WeakPolarHBondContact OG1-CB 3.39Å; T286-C289 PolarHBondContact OG1-N 3.13Å; K287-C289 PolarHBondContact O-N 3.28Å; C289-M291 VanDerWaalsContact C-N 3.31Å; C289-M291 PolarHBondContact O-N 3.2Å; C289-Q292 PolarHBondContact O-N 2.91Å; C289-W293 PolarHBondContact O-N 2.94Å
290	Y	94.3	Very high	94.2	Very high	21 Å²	21	41.9 Å²	41.9	8%	0.082	20%	0.195	C	C	.	.	H	α-helix	trans	-59.1	-42.3	175.2	176.3	-97	0	0	0	112.3	L263 K266 M267 T286 K287 P288 W293 R294	L263-Y290 HydrophobicContact CB-CD2 4.03Å; L263-Y290 HydrophobicContact CB-CG 4.05Å; L263-Y290 HydrophobicContact CD1-CD1 4.31Å; L263-Y290 HydrophobicContact CD1-CG 4.14Å; L263-Y290 HydrophobicContact CD2-CD1 3.75Å; L263-Y290 HydrophobicContact CD2-CD2 4.31Å; L263-Y290 HydrophobicContact CD2-CE1 3.91Å; L263-Y290 HydrophobicContact CD2-CE2 4.45Å; L263-Y290 HydrophobicContact CD2-CG 3.96Å; L263-Y290 HydrophobicContact CG-CD1 4.47Å; L263-Y290 HydrophobicContact CG-CG 4.27Å; K266-Y290 HydrophobicContact CB-CE2 4.07Å; M267-Y290 HydrophobicContact CB-CD2 4.2Å; M267-Y290 HydrophobicContact CB-CE2 4.25Å; M267-Y290 HydrophobicContact SD-CD2 4.33Å; T286-Y290 PolarHBondContact O-N 3.01Å; T286-Y290 VanDerWaalsContact O-N 3.09Å; K287-Y290 PolarHBondContact O-N 3.48Å; P288-Y290 PolarHBondContact O-N 2.53Å; Y290-W293 AromaticContact CD2-CE3 3.96Å; Y290-W293 HydrophobicContact CD2-CE3 3.96Å; Y290-W293 HydrophobicContact CD2-CZ3 4.12Å; Y290-W293 AromaticContact CE2-CE3 3.86Å; Y290-W293 HydrophobicContact CE2-CE3 3.86Å; Y290-W293 AromaticContact CE2-CZ3 3.53Å; Y290-W293 HydrophobicContact CE2-CZ3 3.53Å; Y290-W293 PolarHBondContact O-N 3.28Å; Y290-R294 WeakPolarHBondContact O-CB 3.33Å; Y290-R294 PolarHBondContact O-N 3.47Å
291	M	93.2	Very high	94	Very high	9 Å²	9	42.8 Å²	42.8	4%	0.044	20%	0.202	C	C	.	.	H	α-helix	trans	-66.3	-43.3	-179.4	-62.3	-75.7	-76	0	0	111.2	T244 Y245 K287 P288 C289 R294 D295	T244-M291 WeakPolarHBondContact O-CE 3.19Å; T244-M291 WeakPolarHBondContact OG1-CE 3.46Å; Y245-M291 HydrophobicContact CD1-CB 3.73Å; Y245-M291 HydrophobicContact CG-CB 4.36Å; K287-M291 HydrophobicContact CG-CG 4.24Å; K287-M291 WeakPolarHBondContact O-CG 3.34Å; K287-M291 PolarHBondContact O-N 2.96Å; P288-M291 PolarHBondContact O-N 3.47Å; C289-M291 VanDerWaalsContact C-N 3.31Å; C289-M291 PolarHBondContact O-N 3.2Å; M291-R294 PolarHBondContact O-N 3.17Å; M291-R294 VanDerWaalsContact SD-CZ 3.5Å; M291-R294 PolarHBondContact SD-NH2 2.98Å; M291-D295 WeakPolarHBondContact O-CB 3.27Å; M291-D295 PolarHBondContact O-N 2.8Å
292	Q	93.5	Very high	94	Very high	78 Å²	78	38 Å²	38	36%	0.364	19%	0.187	S	C	.	.	H	α-helix	trans	-60.4	-44.7	173.9	-74.5	176.3	-29.5	0	0	112.1	Y245 P288 C289 D295 S296	Y245-Q292 HydrophobicContact CD1-CG 4.21Å; Y245-Q292 HydrophobicContact CE1-CB 4.38Å; Y245-Q292 HydrophobicContact CE1-CG 3.32Å; Y245-Q292 WeakPolarHBondContact OH-CG 3.44Å; Y245-Q292 PolarHBondContact OH-NE2 2.84Å; Y245-Q292 VanDerWaalsContact OH-NE2 3.12Å; P288-Q292 WeakPolarHBondContact O-CB 3.43Å; P288-Q292 WeakPolarHBondContact O-CG 3.49Å; P288-Q292 PolarHBondContact O-N 3.44Å; C289-Q292 PolarHBondContact O-N 2.91Å; Q292-D295 PolarHBondContact O-N 3.06Å; Q292-S296 WeakPolarHBondContact O-CB 3.46Å; Q292-S296 PolarHBondContact O-N 2.99Å
293	W	94.6	Very high	94.2	Very high	25 Å²	25	35 Å²	35	10%	0.095	17%	0.173	C	C	.	.	H	α-helix	trans	-61.2	-46.9	174.8	166.3	82.5	0	0	0	111.4	M267 V270 D271 C289 Y290 D295 S296 M297	M267-W293 HydrophobicContact CB-CE3 4.44Å; M267-W293 HydrophobicContact CB-CH2 4.39Å; M267-W293 HydrophobicContact CB-CZ3 4.3Å; M267-W293 HydrophobicContact CE-CB 3.68Å; M267-W293 HydrophobicContact CE-CD2 3.73Å; M267-W293 HydrophobicContact CE-CG 3.24Å; M267-W293 HydrophobicContact CG-CD2 3.72Å; M267-W293 HydrophobicContact CG-CE3 3.91Å; M267-W293 HydrophobicContact CG-CG 4.31Å; M267-W293 HydrophobicContact CG-CH2 4.1Å; M267-W293 HydrophobicContact CG-CZ2 3.88Å; M267-W293 HydrophobicContact CG-CZ3 4.11Å; M267-W293 HydrophobicContact SD-CB 4.07Å; M267-W293 HydrophobicContact SD-CD2 3.61Å; M267-W293 HydrophobicContact SD-CE3 3.87Å; M267-W293 HydrophobicContact SD-CG 3.7Å; V270-W293 HydrophobicContact CB-CH2 3.65Å; V270-W293 HydrophobicContact CB-CZ2 3.95Å; V270-W293 HydrophobicContact CG1-CH2 3.76Å; V270-W293 HydrophobicContact CG1-CZ2 3.87Å; V270-W293 HydrophobicContact CG2-CH2 4.09Å; D271-W293 HydrophobicContact CB-CZ2 3.97Å; C289-W293 PolarHBondContact O-N 2.94Å; Y290-W293 AromaticContact CD2-CE3 3.96Å; Y290-W293 HydrophobicContact CD2-CE3 3.96Å; Y290-W293 HydrophobicContact CD2-CZ3 4.12Å; Y290-W293 AromaticContact CE2-CE3 3.86Å; Y290-W293 HydrophobicContact CE2-CE3 3.86Å; Y290-W293 AromaticContact CE2-CZ3 3.53Å; Y290-W293 HydrophobicContact CE2-CZ3 3.53Å; Y290-W293 PolarHBondContact O-N 3.28Å; W293-D295 VanDerWaalsContact C-N 3.32Å; W293-D295 PolarHBondContact O-N 3.44Å; W293-S296 WeakPolarHBondContact O-CB 3.08Å; W293-S296 PolarHBondContact O-N 2.83Å; W293-S296 VanDerWaalsContact O-N 3.09Å; W293-S296 PolarHBondContact O-OG 2.85Å; W293-M297 HydrophobicContact CD2-CG 4.22Å; W293-M297 HydrophobicContact CZ2-CG 3.9Å; W293-M297 WeakPolarHBondContact O-CG 3.46Å; W293-M297 PolarHBondContact O-N 2.91Å
294	R	93.1	Very high	94.3	Very high	43 Å²	43	27.2 Å²	27.2	16%	0.162	14%	0.143	C	C	.	.	H	α-helix	trans	-60.8	-41.9	177.5	-175.5	-172.6	66	-176.6	-1.3	111.9	T244 Y290 M291 S296 M297 S298	T244-R294 PolarHBondContact OG1-NH2 2.64Å; Y290-R294 WeakPolarHBondContact O-CB 3.33Å; Y290-R294 PolarHBondContact O-N 3.47Å; M291-R294 PolarHBondContact O-N 3.17Å; M291-R294 VanDerWaalsContact SD-CZ 3.5Å; M291-R294 PolarHBondContact SD-NH2 2.98Å; R294-S296 PolarHBondContact O-N 2.76Å; R294-M297 PolarHBondContact O-N 3.47Å; R294-S298 PolarHBondContact O-N 3.5Å; R294-S298 VanDerWaalsContact O-N 3.16Å; R294-S298 PolarHBondContact O-OG 3.17Å
295	D	93.3	Very high	94.5	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-66.2	-29.6	178.4	-66.6	-11.3	0	0	0	110.9	T244 M291 Q292 W293 S298 T300 N301 R306	T244-D295 PolarHBondContact N-OD2 2.71Å; T244-D295 PolarHBondContact OG1-OD1 2.67Å; T244-D295 PolarHBondContact OG1-OD2 3.06Å; M291-D295 WeakPolarHBondContact O-CB 3.27Å; M291-D295 PolarHBondContact O-N 2.8Å; Q292-D295 PolarHBondContact O-N 3.06Å; W293-D295 VanDerWaalsContact C-N 3.32Å; W293-D295 PolarHBondContact O-N 3.44Å; D295-S298 PolarHBondContact O-OG 3.14Å; D295-T300 HydrophobicContact CB-CG2 3.91Å; D295-N301 VanDerWaalsContact CB-OD1 3.27Å; D295-N301 WeakPolarHBondContact CB-OD1 3.46Å; D295-N301 PolarHBondContact O-N 3.36Å; D295-N301 PolarHBondContact O-OD1 2.83Å; D295-R306 IonicContact OD1-CZ 3.73Å; D295-R306 IonicContact OD1-NH1 3.95Å; D295-R306 PolarHBondContact OD1-NH1 3.08Å
296	S	93.3	Very high	94.6	Very high	45 Å²	45	27.4 Å²	27.4	32%	0.315	14%	0.143	S	C	.	.	H	α-helix	trans	-77.4	-28.7	173.8	83.2	0	0	0	0	115	Q292 W293 R294	Q292-S296 WeakPolarHBondContact O-CB 3.46Å; Q292-S296 PolarHBondContact O-N 2.99Å; W293-S296 WeakPolarHBondContact O-CB 3.08Å; W293-S296 PolarHBondContact O-N 2.83Å; W293-S296 VanDerWaalsContact O-N 3.09Å; W293-S296 PolarHBondContact O-OG 2.85Å; R294-S296 PolarHBondContact O-N 2.76Å
297	M	92.7	Very high	94.7	Very high	40 Å²	40	26.4 Å²	26.4	20%	0.197	14%	0.137	C	C	.	.	H	α-helix	trans	-81.5	-22.8	179.4	-74.4	-63.4	-68.9	0	0	113.1	V270 W293 R294 K322 K323	V270-M297 HydrophobicContact CG1-CE 4.39Å; W293-M297 HydrophobicContact CD2-CG 4.22Å; W293-M297 HydrophobicContact CZ2-CG 3.9Å; W293-M297 WeakPolarHBondContact O-CG 3.46Å; W293-M297 PolarHBondContact O-N 2.91Å; R294-M297 PolarHBondContact O-N 3.47Å; M297-K322 CarbonylContact C-O 3.5Å; M297-K323 HydrophobicContact CE-CD 4.37Å; M297-K323 HydrophobicContact CE-CG 4.07Å
298	S	94.3	Very high	94.8	Very high	2 Å²	2	25.4 Å²	25.4	1%	0.014	13%	0.133	C	C	.	.	S	Bend	trans	-101.2	-175.6	177.9	62.3	0	0	0	0	111.7	R294 D295 T300 R306 R325	R294-S298 PolarHBondContact O-N 3.5Å; R294-S298 VanDerWaalsContact O-N 3.16Å; R294-S298 PolarHBondContact O-OG 3.17Å; D295-S298 PolarHBondContact O-OG 3.14Å; S298-T300 PolarHBondContact O-N 2.94Å; S298-T300 PolarHBondContact OG-N 2.86Å; S298-T300 PolarHBondContact OG-OG1 3.28Å; S298-R306 WeakPolarHBondContact OG-CD 3.48Å; S298-R325 WeakPolarHBondContact O-CG 3.16Å
299	S	97.1	Very high	94.9	Very high	1 Å²	1	24.9 Å²	24.9	1%	0.007	13%	0.13	C	C	.	.	S	Bend	trans	-75.4	-2.5	173.4	51.8	0	0	0	0	114.7	N301 T302 L303 F305 R306 T324 R325 I330	S299-N301 PolarHBondContact O-N 3.29Å; S299-T302 PolarHBondContact O-N 2.91Å; S299-T302 PolarHBondContact O-OG1 2.8Å; S299-L303 WeakPolarHBondContact O-CA 3.44Å; S299-L303 WeakPolarHBondContact O-CB 3.41Å; S299-L303 PolarHBondContact O-N 2.8Å; S299-F305 CarbonylContact C-O 3.52Å; S299-F305 WeakPolarHBondContact CB-O 3.25Å; S299-F305 PolarHBondContact OG-O 3.08Å; S299-R306 WeakPolarHBondContact OG-CA 3.49Å; S299-T324 PolarHBondContact N-O 2.97Å; S299-R325 WeakPolarHBondContact CB-O 3.02Å; S299-I330 WeakPolarHBondContact OG-CD1 2.94Å
300	T	96.8	Very high	94.9	Very high	1 Å²	1	23.7 Å²	23.7	1%	0.006	12%	0.121	C	C	.	.	H	α-helix	trans	-54.8	-56.1	-174.7	-48.9	0	0	0	0	111.7	G241 T244 D295 S298 T302 G304 F305 R306	G241-T300 VanDerWaalsContact O-CG2 3.26Å; G241-T300 WeakPolarHBondContact O-CG2 3.07Å; T244-T300 HydrophobicContact CG2-CG2 4.16Å; D295-T300 HydrophobicContact CB-CG2 3.91Å; S298-T300 PolarHBondContact O-N 2.94Å; S298-T300 PolarHBondContact OG-N 2.86Å; S298-T300 PolarHBondContact OG-OG1 3.28Å; T300-T302 VanDerWaalsContact C-N 3.28Å; T300-T302 PolarHBondContact O-N 3.36Å; T300-G304 VanDerWaalsContact O-CA 3.23Å; T300-G304 WeakPolarHBondContact O-CA 3.48Å; T300-G304 PolarHBondContact O-N 2.82Å; T300-F305 PolarHBondContact N-O 2.94Å; T300-R306 VanDerWaalsContact OG1-CD 3.31Å; T300-R306 WeakPolarHBondContact OG1-CD 3.22Å; T300-R306 WeakPolarHBondContact OG1-CG 3Å; T300-R306 PolarHBondContact OG1-NH1 2.91Å
301	N	93.3	Very high	94.8	Very high	80 Å²	80	23.3 Å²	23.3	43%	0.428	12%	0.12	S	C	.	.	H	α-helix	trans	-69.5	-23	-177	-72.6	4.1	0	0	0	114	L242 D295 S299	L242-N301 PolarHBondContact O-OD1 3.1Å; D295-N301 VanDerWaalsContact CB-OD1 3.27Å; D295-N301 WeakPolarHBondContact CB-OD1 3.46Å; D295-N301 PolarHBondContact O-N 3.36Å; D295-N301 PolarHBondContact O-OD1 2.83Å; S299-N301 PolarHBondContact O-N 3.29Å
302	T	94.8	Very high	94.8	Very high	71 Å²	71	24.3 Å²	24.3	44%	0.436	12%	0.124	S	C	.	.	H	α-helix	trans	-99.6	-33.9	-174.2	50.2	0	0	0	0	113.5	S299 T300	S299-T302 PolarHBondContact O-N 2.91Å; S299-T302 PolarHBondContact O-OG1 2.8Å; T300-T302 VanDerWaalsContact C-N 3.28Å; T300-T302 PolarHBondContact O-N 3.36Å
303	L	97.4	Very high	94.5	Very high	20 Å²	20	25.8 Å²	25.8	11%	0.105	13%	0.127	C	C	.	.	H	α-helix	trans	-119	-11.7	-174.6	-58.1	-176.9	0	0	0	112.8	S299 F305 K327 I330 G421 N424	S299-L303 WeakPolarHBondContact O-CA 3.44Å; S299-L303 WeakPolarHBondContact O-CB 3.41Å; S299-L303 PolarHBondContact O-N 2.8Å; L303-F305 VanDerWaalsContact C-N 3.33Å; L303-F305 HydrophobicContact CB-CD1 4.01Å; L303-F305 HydrophobicContact CB-CE1 3.74Å; L303-F305 HydrophobicContact CB-CZ 4.39Å; L303-F305 HydrophobicContact CD1-CE1 4.29Å; L303-F305 HydrophobicContact CD1-CZ 4.18Å; L303-F305 WeakPolarHBondContact O-CD1 3.44Å; L303-K327 HydrophobicContact CD1-CB 4.28Å; L303-I330 HydrophobicContact CD1-CD1 3.57Å; L303-G421 WeakPolarHBondContact O-CA 3.47Å; L303-N424 HydrophobicContact CB-CB 4.3Å; L303-N424 WeakPolarHBondContact O-CB 3.49Å; L303-N424 PolarHBondContact O-ND2 2.97Å
304	G	97.6	Very high	94.1	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.146	C	C	.	.	S	Bend	trans	76.6	18.1	-179.9	0	0	0	0	0	114.4	G241 T300 G421	G241-G304 CarbonylContact C-O 3.25Å; G241-G304 WeakPolarHBondContact CA-O 3.01Å; G241-G304 PolarHBondContact N-O 2.63Å; G241-G304 CarbonylContact O-C 3.17Å; G241-G304 WeakPolarHBondContact O-CA 3.41Å; G241-G304 VanDerWaalsContact O-O 3.1Å; T300-G304 VanDerWaalsContact O-CA 3.23Å; T300-G304 WeakPolarHBondContact O-CA 3.48Å; T300-G304 PolarHBondContact O-N 2.82Å; G304-G421 VanDerWaalsContact C-CA 3.5Å; G304-G421 WeakPolarHBondContact O-CA 3.3Å
305	F	98.3	Very high	93.7	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.7	166.1	171.2	69.5	-89.4	0	0	0	110.4	C238 K239 M240 S299 T300 L303 I330 G421 N424 L425	C238-F305 WeakPolarHBondContact SG-CD2 3.13Å; K239-F305 CarbonylContact O-C 3.57Å; K239-F305 WeakPolarHBondContact O-CA 3.12Å; K239-F305 WeakPolarHBondContact O-CB 3.48Å; M240-F305 HydrophobicContact CE-CB 4.16Å; M240-F305 HydrophobicContact SD-CB 3.73Å; S299-F305 CarbonylContact C-O 3.52Å; S299-F305 WeakPolarHBondContact CB-O 3.25Å; S299-F305 PolarHBondContact OG-O 3.08Å; T300-F305 PolarHBondContact N-O 2.94Å; L303-F305 VanDerWaalsContact C-N 3.33Å; L303-F305 HydrophobicContact CB-CD1 4.01Å; L303-F305 HydrophobicContact CB-CE1 3.74Å; L303-F305 HydrophobicContact CB-CZ 4.39Å; L303-F305 HydrophobicContact CD1-CE1 4.29Å; L303-F305 HydrophobicContact CD1-CZ 4.18Å; L303-F305 WeakPolarHBondContact O-CD1 3.44Å; F305-I330 HydrophobicContact CE2-CD1 4.12Å; F305-I330 HydrophobicContact CE2-CG2 4.03Å; F305-I330 HydrophobicContact CZ-CD1 4.28Å; F305-I330 HydrophobicContact CZ-CG2 4.22Å; F305-G421 WeakPolarHBondContact CD1-O 3.19Å; F305-N424 HydrophobicContact CE1-CB 4.08Å; F305-L425 HydrophobicContact CD1-CB 3.93Å; F305-L425 HydrophobicContact CD2-CD1 4.13Å; F305-L425 HydrophobicContact CE1-CB 3.77Å; F305-L425 HydrophobicContact CE1-CD1 4.17Å; F305-L425 HydrophobicContact CE2-CD1 3.7Å; F305-L425 HydrophobicContact CG-CB 4.48Å; F305-L425 HydrophobicContact CZ-CB 4.2Å; F305-L425 HydrophobicContact CZ-CD1 3.72Å
306	R	97.6	Very high	93.5	Very high	7 Å²	7	32.6 Å²	32.6	3%	0.026	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	157.6	166.5	64.9	169.8	-177.8	-86.5	-2.1	111.8	C238 K239 D295 S298 S299 T300 E308	C238-R306 CarbonylContact C-O 3.54Å; C238-R306 WeakPolarHBondContact CA-O 3.17Å; K239-R306 HydrophobicContact CB-CG 4.25Å; K239-R306 VanDerWaalsContact CD-NH2 3.28Å; K239-R306 PolarHBondContact N-O 2.77Å; K239-R306 PolarHBondContact O-N 3.23Å; D295-R306 IonicContact OD1-CZ 3.73Å; D295-R306 IonicContact OD1-NH1 3.95Å; D295-R306 PolarHBondContact OD1-NH1 3.08Å; S298-R306 WeakPolarHBondContact OG-CD 3.48Å; S299-R306 WeakPolarHBondContact OG-CA 3.49Å; T300-R306 VanDerWaalsContact OG1-CD 3.31Å; T300-R306 WeakPolarHBondContact OG1-CD 3.22Å; T300-R306 WeakPolarHBondContact OG1-CG 3Å; T300-R306 PolarHBondContact OG1-NH1 2.91Å; R306-E308 IonicContact CZ-OE1 2.74Å; R306-E308 IonicContact NE-OE1 2.93Å; R306-E308 PolarHBondContact NE-OE1 2.87Å; R306-E308 IonicContact NH2-OE1 3.67Å; R306-E308 PolarHBondContact NH2-OE1 3.28Å; R306-E308 IonicContact NH2-OE2 3.68Å
307	I	96.4	Very high	93.3	Very high	6 Å²	6	33.4 Å²	33.4	3%	0.031	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	121.7	178	-60.4	174.4	0	0	0	108.2	M236 I310 F321 I330 L333 F334	M236-I307 HydrophobicContact CE-CD1 4.19Å; M236-I307 HydrophobicContact CG-CG2 3.97Å; M236-I307 HydrophobicContact SD-CD1 3.92Å; M236-I307 HydrophobicContact SD-CG1 4.25Å; M236-I307 HydrophobicContact SD-CG2 4.32Å; I307-I310 HydrophobicContact CG2-CD1 4.36Å; I307-I310 HydrophobicContact CG2-CG1 4.1Å; I307-F321 HydrophobicContact CG2-CD2 3.92Å; I307-F321 HydrophobicContact CG2-CE2 4.05Å; I307-F321 HydrophobicContact CG2-CG 4.35Å; I307-F321 WeakPolarHBondContact O-CB 3.11Å; I307-I330 HydrophobicContact CD1-CG2 4.14Å; I307-L333 HydrophobicContact CB-CD2 4.22Å; I307-L333 HydrophobicContact CD1-CD2 3.39Å; I307-L333 HydrophobicContact CG1-CD2 4.36Å; I307-L333 HydrophobicContact CG2-CD2 3.92Å; I307-F334 HydrophobicContact CD1-CD2 4.41Å; I307-F334 HydrophobicContact CD1-CE2 3.9Å; I307-F334 HydrophobicContact CD1-CZ 4.31Å
308	E	93.4	Very high	93.2	Very high	40 Å²	40	36.3 Å²	36.3	19%	0.187	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	-37.1	-179.4	-68.4	-81.6	90.4	0	0	111.2	D237 K239 R306	D237-E308 HydrophobicContact CB-CB 4.27Å; D237-E308 PolarHBondContact O-N 3.36Å; K239-E308 HydrophobicContact CB-CG 3.71Å; K239-E308 HydrophobicContact CD-CG 4.41Å; K239-E308 IonicContact NZ-OE2 2.66Å; K239-E308 PolarHBondContact NZ-OE2 2.91Å; R306-E308 IonicContact CZ-OE1 2.74Å; R306-E308 IonicContact NE-OE1 2.93Å; R306-E308 PolarHBondContact NE-OE1 2.87Å; R306-E308 IonicContact NH2-OE1 3.67Å; R306-E308 PolarHBondContact NH2-OE1 3.28Å; R306-E308 IonicContact NH2-OE2 3.68Å
309	G	93.9	Very high	92.8	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.2	150.4	-174.2	0	0	0	0	0	113.5	M236 D237 R318	M236-G309 WeakPolarHBondContact CA-O 3.2Å; D237-G309 PolarHBondContact N-O 2.83Å; G309-R318 CarbonylContact C-O 3.59Å; G309-R318 WeakPolarHBondContact CA-O 3.37Å
310	I	94.5	Very high	92.3	Very high	9 Å²	9	45.8 Å²	45.8	5%	0.046	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	131.2	173.2	-63.2	177.2	0	0	0	108.3	V235 M236 I307 K312 C317 R318 F321 L333 F337	V235-I310 CarbonylContact O-C 3.53Å; V235-I310 WeakPolarHBondContact O-CA 3.41Å; M236-I310 HydrophobicContact CB-CG1 4.14Å; M236-I310 HydrophobicContact CE-CD1 3.48Å; M236-I310 VanDerWaalsContact CE-CD1 3.48Å; M236-I310 HydrophobicContact CE-CG1 3.86Å; M236-I310 HydrophobicContact CG-CG1 3.95Å; I307-I310 HydrophobicContact CG2-CD1 4.36Å; I307-I310 HydrophobicContact CG2-CG1 4.1Å; I310-K312 HydrophobicContact CG2-CG 4.37Å; I310-C317 CarbonylContact O-C 3.53Å; I310-C317 WeakPolarHBondContact O-CA 3.38Å; I310-R318 PolarHBondContact N-O 2.79Å; I310-R318 PolarHBondContact O-N 3.33Å; I310-F321 HydrophobicContact CB-CE2 4.3Å; I310-F321 HydrophobicContact CB-CZ 4.24Å; I310-F321 HydrophobicContact CD1-CE1 4.43Å; I310-F321 HydrophobicContact CD1-CE2 4.2Å; I310-F321 HydrophobicContact CD1-CZ 3.68Å; I310-F321 HydrophobicContact CG1-CE2 3.92Å; I310-F321 HydrophobicContact CG1-CZ 3.88Å; I310-L333 HydrophobicContact CD1-CD1 4.17Å; I310-L333 HydrophobicContact CD1-CD2 3.61Å; I310-L333 HydrophobicContact CD1-CG 3.74Å; I310-F337 HydrophobicContact CD1-CB 4.48Å; I310-F337 HydrophobicContact CG2-CD2 3.56Å; I310-F337 HydrophobicContact CG2-CE2 3.95Å
311	K	92.5	Very high	92	Very high	13 Å²	13	46.2 Å²	46.2	6%	0.057	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	126.2	165.8	-175.2	-167.1	179.8	-173.6	0	109.5	V66 V165 L167 N234 V235 T316	V66-K311 HydrophobicContact CB-CD 4.23Å; V66-K311 HydrophobicContact CG1-CD 3.68Å; V66-K311 HydrophobicContact CG2-CD 3.53Å; V165-K311 HydrophobicContact CB-CD 3.91Å; V165-K311 VanDerWaalsContact CB-NZ 3.35Å; V165-K311 HydrophobicContact CG1-CD 3.71Å; V165-K311 HydrophobicContact CG2-CD 4.29Å; L167-K311 HydrophobicContact CD1-CB 4.47Å; L167-K311 HydrophobicContact CD2-CB 3.55Å; L167-K311 HydrophobicContact CG-CB 4.3Å; N234-K311 CarbonylContact C-O 3.57Å; N234-K311 WeakPolarHBondContact CA-O 3.36Å; V235-K311 PolarHBondContact N-O 3.27Å; V235-K311 PolarHBondContact O-N 2.98Å; K311-T316 CarbonylContact C-O 3.59Å; K311-T316 WeakPolarHBondContact CA-O 3.46Å
312	K	91.8	Very high	91.7	Very high	30 Å²	30	46.2 Å²	46.2	13%	0.13	25%	0.248	C	C	.	.			trans	-92.8	160.5	174.7	-73.6	-166.3	169.6	-156.5	0	112.2	N234 I310 D314 G315 T316 E336 E339	N234-K312 VanDerWaalsContact OD1-CA 3.23Å; N234-K312 WeakPolarHBondContact OD1-CA 3.28Å; I310-K312 HydrophobicContact CG2-CG 4.37Å; K312-D314 WeakPolarHBondContact CB-OD1 3.47Å; K312-D314 PolarHBondContact O-N 3.12Å; K312-G315 PolarHBondContact O-N 2.9Å; K312-T316 PolarHBondContact N-O 3.12Å; K312-E336 WeakPolarHBondContact CE-O 3.37Å; K312-E336 PolarHBondContact NZ-O 3.17Å; K312-E339 IonicContact NZ-OE1 2.76Å; K312-E339 PolarHBondContact NZ-OE1 2.71Å
313	Y	88.6	Confident	91.5	Very high	109 Å²	109	49 Å²	49	43%	0.427	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-28.3	178.2	71.8	-96.2	0	0	0	113.2	H232 N234 G315 E339	H232-Y313 WeakPolarHBondContact O-CB 3.34Å; N234-Y313 VanDerWaalsContact OD1-CD1 3.31Å; N234-Y313 WeakPolarHBondContact OD1-CD1 3.37Å; N234-Y313 PolarHBondContact OD1-N 3.28Å; Y313-G315 PolarHBondContact O-N 3.23Å; Y313-E339 VanDerWaalsContact CE1-OE1 3.3Å; Y313-E339 WeakPolarHBondContact CE1-OE1 3.29Å
314	D	86.6	Confident	91.3	Very high	93 Å²	93	49.4 Å²	49.4	50%	0.497	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-1.9	177.5	67.6	-0.4	0	0	0	113.6	K312 T316	K312-D314 WeakPolarHBondContact CB-OD1 3.47Å; K312-D314 PolarHBondContact O-N 3.12Å; D314-T316 WeakPolarHBondContact OD1-CB 3.47Å; D314-T316 PolarHBondContact OD1-N 2.9Å; D314-T316 PolarHBondContact OD1-OG1 3.43Å; D314-T316 PolarHBondContact OD2-OG1 3.13Å
315	G	83.9	Confident	91.1	Very high	49 Å²	49	55.5 Å²	55.5	51%	0.505	28%	0.28	S	S	.	.	S	Bend	trans	91.6	-5.7	-179.3	0	0	0	0	0	114	K312 Y313 C317	K312-G315 PolarHBondContact O-N 2.9Å; Y313-G315 PolarHBondContact O-N 3.23Å; G315-C317 PolarHBondContact O-N 3.44Å
316	T	87.9	Confident	91	Very high	68 Å²	68	57.9 Å²	57.9	42%	0.417	30%	0.297	S	S	.	.			trans	-66.1	126.5	177.9	-44.3	0	0	0	0	109.8	K311 K312 D314	K311-T316 CarbonylContact C-O 3.59Å; K311-T316 WeakPolarHBondContact CA-O 3.46Å; K312-T316 PolarHBondContact N-O 3.12Å; D314-T316 WeakPolarHBondContact OD1-CB 3.47Å; D314-T316 PolarHBondContact OD1-N 2.9Å; D314-T316 PolarHBondContact OD1-OG1 3.43Å; D314-T316 PolarHBondContact OD2-OG1 3.13Å
317	C	89.3	Confident	90.9	Very high	62 Å²	62	61.3 Å²	61.3	42%	0.419	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	129	177.3	-172.1	0	0	0	0	109.6	I310 G315	I310-C317 CarbonylContact O-C 3.53Å; I310-C317 WeakPolarHBondContact O-CA 3.38Å; G315-C317 PolarHBondContact O-N 3.44Å
318	R	90.3	Very high	90.9	Very high	101 Å²	101	66.7 Å²	66.7	38%	0.381	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	129.2	-179.8	-66.6	177.1	64.4	-172	-3.7	108.9	G309 I310 F321 E336	G309-R318 CarbonylContact C-O 3.59Å; G309-R318 WeakPolarHBondContact CA-O 3.37Å; I310-R318 PolarHBondContact N-O 2.79Å; I310-R318 PolarHBondContact O-N 3.33Å; R318-F321 HydrophobicContact CB-CE2 4.18Å; R318-F321 HydrophobicContact CB-CZ 3.79Å; R318-F321 WeakPolarHBondContact O-CE2 3.35Å; R318-E336 VanDerWaalsContact NH1-CD 3.3Å; R318-E336 IonicContact NH1-OE1 2.69Å; R318-E336 PolarHBondContact NH1-OE1 2.63Å; R318-E336 IonicContact NH1-OE2 2.71Å; R318-E336 PolarHBondContact NH1-OE2 3.3Å; R318-E336 VanDerWaalsContact NH1-OE2 3.08Å
319	T	87.2	Confident	91	Very high	73 Å²	73	68.8 Å²	68.8	45%	0.448	35%	0.349	S	S	.	.			trans	-131	-0.6	176.9	55.4	0	0	0	0	112.7	L167 F321	L167-T319 WeakPolarHBondContact O-CG2 3.4Å; T319-F321 VanDerWaalsContact C-N 3.27Å; T319-F321 PolarHBondContact O-N 3.25Å
320	D	86.3	Confident	91.1	Very high	130 Å²	130	68.8 Å²	68.8	70%	0.695	35%	0.349	S	S	*	.			trans	-84.2	69.9	179.5	-170.4	25.7	0	0	0	111.5
321	F	90.3	Very high	91.3	Very high	10 Å²	10	68.5 Å²	68.5	4%	0.044	35%	0.348	C	S	.	.			trans	-111.5	16.1	177.3	-59.7	-60.9	0	0	0	112.5	I307 I310 R318 T319 K323 T324 L333	I307-F321 HydrophobicContact CG2-CD2 3.92Å; I307-F321 HydrophobicContact CG2-CE2 4.05Å; I307-F321 HydrophobicContact CG2-CG 4.35Å; I307-F321 WeakPolarHBondContact O-CB 3.11Å; I310-F321 HydrophobicContact CB-CE2 4.3Å; I310-F321 HydrophobicContact CB-CZ 4.24Å; I310-F321 HydrophobicContact CD1-CE1 4.43Å; I310-F321 HydrophobicContact CD1-CE2 4.2Å; I310-F321 HydrophobicContact CD1-CZ 3.68Å; I310-F321 HydrophobicContact CG1-CE2 3.92Å; I310-F321 HydrophobicContact CG1-CZ 3.88Å; R318-F321 HydrophobicContact CB-CE2 4.18Å; R318-F321 HydrophobicContact CB-CZ 3.79Å; R318-F321 WeakPolarHBondContact O-CE2 3.35Å; T319-F321 VanDerWaalsContact C-N 3.27Å; T319-F321 PolarHBondContact O-N 3.25Å; F321-K323 PolarHBondContact O-N 3.32Å; F321-T324 WeakPolarHBondContact O-CB 3.4Å; F321-T324 PolarHBondContact O-N 2.89Å; F321-L333 HydrophobicContact CD1-CD1 4.35Å; F321-L333 HydrophobicContact CD1-CD2 4.03Å; F321-L333 HydrophobicContact CE1-CD1 3.56Å; F321-L333 HydrophobicContact CE1-CD2 3.71Å; F321-L333 HydrophobicContact CE1-CG 4.28Å; F321-L333 HydrophobicContact CZ-CD1 4.25Å; F321-L333 HydrophobicContact CZ-CD2 4.14Å
322	K	87.4	Confident	91.4	Very high	80 Å²	80	75 Å²	75	35%	0.348	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-24.2	-173.7	-60.3	-178.6	-176.8	175.1	0	113.8	V270 M297	V270-K322 HydrophobicContact CG1-CB 4.44Å; V270-K322 HydrophobicContact CG2-CD 3.55Å; M297-K322 CarbonylContact C-O 3.5Å
323	K	89.9	Confident	91.6	Very high	130 Å²	130	74.1 Å²	74.1	57%	0.565	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.8	4.9	179.3	-57.8	-171.4	179.9	-175.5	0	113.3	V270 M297 F321 R325	V270-K323 VanDerWaalsContact CG1-CE 3.46Å; V270-K323 HydrophobicContact CG1-CG 4.32Å; V270-K323 VanDerWaalsContact O-CE 3.24Å; V270-K323 WeakPolarHBondContact O-CE 3.48Å; V270-K323 PolarHBondContact O-NZ 2.97Å; M297-K323 HydrophobicContact CE-CD 4.37Å; M297-K323 HydrophobicContact CE-CG 4.07Å; F321-K323 PolarHBondContact O-N 3.32Å; K323-R325 PolarHBondContact O-N 2.8Å; K323-R325 VanDerWaalsContact O-N 3.13Å
324	T	93.2	Very high	92	Very high	28 Å²	28	69 Å²	69	17%	0.172	35%	0.353	C	S	.	.			trans	-74.9	103.8	176.1	-58.5	0	0	0	0	108.2	S299 F321 D329 I330	S299-T324 PolarHBondContact N-O 2.97Å; F321-T324 WeakPolarHBondContact O-CB 3.4Å; F321-T324 PolarHBondContact O-N 2.89Å; T324-D329 HydrophobicContact CG2-CB 4.27Å; T324-I330 HydrophobicContact CG2-CG1 3.91Å
325	R	93.8	Very high	92.5	Very high	128 Å²	128	65.9 Å²	65.9	48%	0.483	33%	0.334	S	S	.	.			trans	-128.3	-41.8	-169.5	178.3	170.5	174.9	-161.6	-0.5	114.1	S298 S299 K323	S298-R325 WeakPolarHBondContact O-CG 3.16Å; S299-R325 WeakPolarHBondContact CB-O 3.02Å; K323-R325 PolarHBondContact O-N 2.8Å; K323-R325 VanDerWaalsContact O-N 3.13Å
326	S	95.8	Very high	93	Very high	50 Å²	50	67.5 Å²	67.5	35%	0.35	33%	0.329	S	S	.	.	S	Bend	trans	-75.2	148.3	-174.4	84.1	0	0	0	0	111.4	Q328 D329 I330	S326-Q328 PolarHBondContact O-N 3.22Å; S326-D329 WeakPolarHBondContact CB-OD2 3.44Å; S326-D329 PolarHBondContact O-N 3.45Å; S326-D329 PolarHBondContact OG-N 3.44Å; S326-D329 VanDerWaalsContact OG-N 3.08Å; S326-D329 PolarHBondContact OG-OD2 3.49Å; S326-I330 WeakPolarHBondContact O-CG1 3.26Å; S326-I330 PolarHBondContact O-N 2.59Å
327	K	96.1	Very high	93.3	Very high	79 Å²	79	64.3 Å²	64.3	34%	0.343	31%	0.309	S	S	.	.	H	α-helix	trans	-56.7	-37.1	174.9	-174.4	173.8	178.6	173.3	0	111.8	L303 I330 I331 L427 T428	L303-K327 HydrophobicContact CD1-CB 4.28Å; K327-I330 PolarHBondContact O-N 3.49Å; K327-I331 HydrophobicContact CG-CD1 4.15Å; K327-I331 VanDerWaalsContact O-CG1 3.3Å; K327-I331 WeakPolarHBondContact O-CG1 3.31Å; K327-I331 PolarHBondContact O-N 3.21Å; K327-L427 PolarHBondContact NZ-O 3.25Å; K327-L427 VanDerWaalsContact NZ-O 3.07Å; K327-T428 WeakPolarHBondContact CE-OG1 3.41Å; K327-T428 HydrophobicContact CG-CG2 4.19Å
328	Q	96.4	Very high	93.6	Very high	119 Å²	119	61.4 Å²	61.4	56%	0.556	29%	0.29	S	S	*	.	H	α-helix	trans	-65.6	-42.7	178.1	-77.4	-70.7	-18.7	0	0	112.6	S326 I330 I331 K332	S326-Q328 PolarHBondContact O-N 3.22Å; Q328-I330 VanDerWaalsContact C-N 3.26Å; Q328-I330 PolarHBondContact O-N 3.06Å; Q328-I331 PolarHBondContact O-N 3.36Å; Q328-K332 PolarHBondContact O-N 2.79Å
329	D	95.5	Very high	93.7	Very high	83 Å²	83	61.2 Å²	61.2	44%	0.444	29%	0.293	S	S	.	.	H	α-helix	trans	-61.4	-39	175.8	-62.4	-41.8	0	0	0	111.2	T324 S326 K332 L333	T324-D329 HydrophobicContact CG2-CB 4.27Å; S326-D329 WeakPolarHBondContact CB-OD2 3.44Å; S326-D329 PolarHBondContact O-N 3.45Å; S326-D329 PolarHBondContact OG-N 3.44Å; S326-D329 VanDerWaalsContact OG-N 3.08Å; S326-D329 PolarHBondContact OG-OD2 3.49Å; D329-K332 PolarHBondContact O-N 3.03Å; D329-L333 WeakPolarHBondContact O-CB 3.41Å; D329-L333 PolarHBondContact O-N 3.18Å
330	I	96.9	Very high	93.9	Very high	0 Å²	0	63 Å²	63	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-69.6	-43	178.7	-65.7	165.7	0	0	0	111.3	S299 L303 F305 I307 T324 S326 K327 Q328 K332 L333 F334 T428	S299-I330 WeakPolarHBondContact OG-CD1 2.94Å; L303-I330 HydrophobicContact CD1-CD1 3.57Å; F305-I330 HydrophobicContact CE2-CD1 4.12Å; F305-I330 HydrophobicContact CE2-CG2 4.03Å; F305-I330 HydrophobicContact CZ-CD1 4.28Å; F305-I330 HydrophobicContact CZ-CG2 4.22Å; I307-I330 HydrophobicContact CD1-CG2 4.14Å; T324-I330 HydrophobicContact CG2-CG1 3.91Å; S326-I330 WeakPolarHBondContact O-CG1 3.26Å; S326-I330 PolarHBondContact O-N 2.59Å; K327-I330 PolarHBondContact O-N 3.49Å; Q328-I330 VanDerWaalsContact C-N 3.26Å; Q328-I330 PolarHBondContact O-N 3.06Å; I330-K332 VanDerWaalsContact C-N 3.3Å; I330-K332 PolarHBondContact O-N 2.92Å; I330-L333 WeakPolarHBondContact O-CB 2.98Å; I330-L333 PolarHBondContact O-N 3.26Å; I330-L333 VanDerWaalsContact O-N 3.1Å; I330-F334 HydrophobicContact CG2-CD2 3.67Å; I330-F334 HydrophobicContact CG2-CE2 3.67Å; I330-F334 WeakPolarHBondContact O-CD2 3.21Å; I330-F334 PolarHBondContact O-N 3.01Å; I330-T428 HydrophobicContact CB-CG2 4.31Å; I330-T428 HydrophobicContact CG2-CG2 3.73Å
331	I	96.9	Very high	94.2	Very high	4 Å²	4	59.8 Å²	59.8	2%	0.021	28%	0.279	C	S	.	.	H	α-helix	trans	-54.8	-49.9	173.9	-72.8	166.1	0	0	0	110	K327 Q328 L333 F334 K335 T428 A431 A432	K327-I331 HydrophobicContact CG-CD1 4.15Å; K327-I331 VanDerWaalsContact O-CG1 3.3Å; K327-I331 WeakPolarHBondContact O-CG1 3.31Å; K327-I331 PolarHBondContact O-N 3.21Å; Q328-I331 PolarHBondContact O-N 3.36Å; I331-L333 VanDerWaalsContact C-N 3.27Å; I331-L333 PolarHBondContact O-N 2.98Å; I331-F334 PolarHBondContact O-N 2.88Å; I331-K335 HydrophobicContact CG2-CD 4.28Å; I331-K335 WeakPolarHBondContact O-CG 3.42Å; I331-K335 PolarHBondContact O-N 3.4Å; I331-T428 HydrophobicContact CG1-CG2 3.72Å; I331-A431 HydrophobicContact CD1-CB 3.69Å; I331-A431 HydrophobicContact CG1-CB 4.35Å; I331-A432 HydrophobicContact CG2-CB 3.98Å
332	K	96	Very high	94.3	Very high	148 Å²	148	60.8 Å²	60.8	64%	0.643	29%	0.286	S	S	*	.	H	α-helix	trans	-59.5	-40.2	177.5	-175.3	-179.5	177.9	-177.2	0	111.7	Q328 D329 I330 K335 E336	Q328-K332 PolarHBondContact O-N 2.79Å; D329-K332 PolarHBondContact O-N 3.03Å; I330-K332 VanDerWaalsContact C-N 3.3Å; I330-K332 PolarHBondContact O-N 2.92Å; K332-K335 PolarHBondContact O-N 3.38Å; K332-E336 WeakPolarHBondContact O-CB 3.23Å; K332-E336 PolarHBondContact O-N 2.9Å
333	L	96.3	Very high	94.6	Very high	12 Å²	12	59.7 Å²	59.7	6%	0.063	29%	0.288	C	S	.	.	H	α-helix	trans	-66.8	-41.5	179.1	-160.6	80.6	0	0	0	112.3	I307 I310 F321 D329 I330 I331 E336 F337	I307-L333 HydrophobicContact CB-CD2 4.22Å; I307-L333 HydrophobicContact CD1-CD2 3.39Å; I307-L333 HydrophobicContact CG1-CD2 4.36Å; I307-L333 HydrophobicContact CG2-CD2 3.92Å; I310-L333 HydrophobicContact CD1-CD1 4.17Å; I310-L333 HydrophobicContact CD1-CD2 3.61Å; I310-L333 HydrophobicContact CD1-CG 3.74Å; F321-L333 HydrophobicContact CD1-CD1 4.35Å; F321-L333 HydrophobicContact CD1-CD2 4.03Å; F321-L333 HydrophobicContact CE1-CD1 3.56Å; F321-L333 HydrophobicContact CE1-CD2 3.71Å; F321-L333 HydrophobicContact CE1-CG 4.28Å; F321-L333 HydrophobicContact CZ-CD1 4.25Å; F321-L333 HydrophobicContact CZ-CD2 4.14Å; D329-L333 WeakPolarHBondContact O-CB 3.41Å; D329-L333 PolarHBondContact O-N 3.18Å; I330-L333 WeakPolarHBondContact O-CB 2.98Å; I330-L333 PolarHBondContact O-N 3.26Å; I330-L333 VanDerWaalsContact O-N 3.1Å; I331-L333 VanDerWaalsContact C-N 3.27Å; I331-L333 PolarHBondContact O-N 2.98Å; L333-E336 PolarHBondContact O-N 3.47Å; L333-F337 VanDerWaalsContact O-CB 3.27Å; L333-F337 WeakPolarHBondContact O-CB 3.45Å; L333-F337 PolarHBondContact O-N 2.82Å
334	F	96.8	Very high	94.9	Very high	2 Å²	2	53.8 Å²	53.8	1%	0.009	26%	0.263	C	S	.	.	H	α-helix	trans	-62.6	-43.8	174.7	-89.8	-74	0	0	0	111.5	M236 I307 I330 I331 F337 V338 F377 L425 L429	M236-F334 HydrophobicContact CE-CD1 4.1Å; M236-F334 HydrophobicContact CE-CE1 4.03Å; M236-F334 HydrophobicContact CE-CZ 4.45Å; M236-F334 HydrophobicContact SD-CD1 4.12Å; M236-F334 HydrophobicContact SD-CE1 3.44Å; M236-F334 WeakPolarHBondContact SD-CE1 3.41Å; M236-F334 HydrophobicContact SD-CE2 4.41Å; M236-F334 HydrophobicContact SD-CZ 3.59Å; M236-F334 VanDerWaalsContact SD-CZ 3.59Å; I307-F334 HydrophobicContact CD1-CD2 4.41Å; I307-F334 HydrophobicContact CD1-CE2 3.9Å; I307-F334 HydrophobicContact CD1-CZ 4.31Å; I330-F334 HydrophobicContact CG2-CD2 3.67Å; I330-F334 HydrophobicContact CG2-CE2 3.67Å; I330-F334 WeakPolarHBondContact O-CD2 3.21Å; I330-F334 PolarHBondContact O-N 3.01Å; I331-F334 PolarHBondContact O-N 2.88Å; F334-F337 WeakPolarHBondContact O-CB 3.44Å; F334-F337 PolarHBondContact O-N 3Å; F334-V338 WeakPolarHBondContact O-CG2 3.4Å; F334-V338 PolarHBondContact O-N 2.9Å; F334-F377 HydrophobicContact CE1-CD1 4.41Å; F334-F377 HydrophobicContact CE1-CE1 4.29Å; F334-L425 HydrophobicContact CE2-CD1 3.83Å; F334-L425 HydrophobicContact CZ-CD1 3.74Å; F334-L429 HydrophobicContact CD1-CD1 4.13Å; F334-L429 HydrophobicContact CD1-CG 4.32Å; F334-L429 HydrophobicContact CD2-CD1 4Å; F334-L429 HydrophobicContact CE1-CD1 3.9Å; F334-L429 HydrophobicContact CE1-CD2 4.49Å; F334-L429 HydrophobicContact CE1-CG 4.42Å; F334-L429 HydrophobicContact CE2-CD1 3.76Å; F334-L429 HydrophobicContact CG-CD1 4.19Å; F334-L429 HydrophobicContact CG-CG 4.49Å; F334-L429 HydrophobicContact CZ-CD1 3.72Å
335	K	95.8	Very high	95.1	Very high	27 Å²	27	52.6 Å²	52.6	12%	0.117	26%	0.255	C	S	.	.	H	α-helix	trans	-59	-45.7	174.2	-76	179.1	164.9	-176.1	0	112.5	I331 K332 F337 V338 E339 E340 A432 E435	I331-K335 HydrophobicContact CG2-CD 4.28Å; I331-K335 WeakPolarHBondContact O-CG 3.42Å; I331-K335 PolarHBondContact O-N 3.4Å; K332-K335 PolarHBondContact O-N 3.38Å; K335-F337 VanDerWaalsContact C-N 3.31Å; K335-F337 PolarHBondContact O-N 3.47Å; K335-V338 PolarHBondContact O-N 2.85Å; K335-E339 PolarHBondContact O-N 3.49Å; K335-E340 WeakPolarHBondContact CG-OE2 3.28Å; K335-E340 PolarHBondContact O-N 3.09Å; K335-A432 WeakPolarHBondContact CE-O 3.46Å; K335-A432 HydrophobicContact CG-CB 4.32Å; K335-E435 IonicContact NZ-OE2 3.66Å; K335-E435 PolarHBondContact NZ-OE2 2.87Å
336	E	94.9	Very high	95.2	Very high	83 Å²	83	51.4 Å²	51.4	39%	0.388	25%	0.254	S	S	.	.	H	α-helix	trans	-62	-39.8	174.7	-169.2	-164.7	145.7	0	0	111.6	K312 R318 K332 L333 E339	K312-E336 WeakPolarHBondContact CE-O 3.37Å; K312-E336 PolarHBondContact NZ-O 3.17Å; R318-E336 VanDerWaalsContact NH1-CD 3.3Å; R318-E336 IonicContact NH1-OE1 2.69Å; R318-E336 PolarHBondContact NH1-OE1 2.63Å; R318-E336 IonicContact NH1-OE2 2.71Å; R318-E336 PolarHBondContact NH1-OE2 3.3Å; R318-E336 VanDerWaalsContact NH1-OE2 3.08Å; K332-E336 WeakPolarHBondContact O-CB 3.23Å; K332-E336 PolarHBondContact O-N 2.9Å; L333-E336 PolarHBondContact O-N 3.47Å; E336-E339 PolarHBondContact O-N 3.44Å
337	F	95.6	Very high	95.2	Very high	1 Å²	1	50.6 Å²	50.6	0%	0.004	25%	0.248	C	C	.	.	H	α-helix	trans	-68	-36.9	-178.8	173.9	-117.3	0	0	0	113.2	N234 M236 I310 L333 F334 K335 Y348 F377 H379	N234-F337 HydrophobicContact CB-CE2 3.79Å; N234-F337 HydrophobicContact CB-CZ 4.07Å; M236-F337 HydrophobicContact CB-CD1 4.28Å; M236-F337 HydrophobicContact CB-CD2 4.31Å; M236-F337 HydrophobicContact CB-CE1 3.8Å; M236-F337 HydrophobicContact CB-CE2 3.83Å; M236-F337 HydrophobicContact CB-CZ 3.55Å; M236-F337 HydrophobicContact CE-CB 3.55Å; M236-F337 HydrophobicContact CE-CD1 3.51Å; M236-F337 HydrophobicContact CE-CD2 4.07Å; M236-F337 HydrophobicContact CE-CE1 4.19Å; M236-F337 HydrophobicContact CE-CG 3.43Å; M236-F337 VanDerWaalsContact CE-CG 3.43Å; M236-F337 HydrophobicContact SD-CD1 4.34Å; I310-F337 HydrophobicContact CD1-CB 4.48Å; I310-F337 HydrophobicContact CG2-CD2 3.56Å; I310-F337 HydrophobicContact CG2-CE2 3.95Å; L333-F337 VanDerWaalsContact O-CB 3.27Å; L333-F337 WeakPolarHBondContact O-CB 3.45Å; L333-F337 PolarHBondContact O-N 2.82Å; F334-F337 WeakPolarHBondContact O-CB 3.44Å; F334-F337 PolarHBondContact O-N 3Å; K335-F337 VanDerWaalsContact C-N 3.31Å; K335-F337 PolarHBondContact O-N 3.47Å; F337-Y348 HydrophobicContact CE1-CE2 4.07Å; F337-F377 HydrophobicContact CE1-CB 4.24Å; F337-H379 AromaticContact CE1-CD2 3.56Å; F337-H379 AromaticContact CE1-NE2 3.85Å; F337-H379 AromaticContact CZ-CD2 3.61Å; F337-H379 AromaticContact CZ-NE2 3.84Å; F337-H379 PolarHBondContact O-NE2 3.18Å
338	V	94.7	Very high	95.3	Very high	2 Å²	2	46.9 Å²	46.9	1%	0.012	23%	0.232	C	C	.	.	H	α-helix	trans	-91.4	1.3	176.1	-56.8	0	0	0	0	113.4	F334 K335 E340 D341 I344 I345 Y348	F334-V338 WeakPolarHBondContact O-CG2 3.4Å; F334-V338 PolarHBondContact O-N 2.9Å; K335-V338 PolarHBondContact O-N 2.85Å; V338-E340 VanDerWaalsContact C-N 3.26Å; V338-E340 PolarHBondContact O-N 3.25Å; V338-D341 VanDerWaalsContact O-CB 3.25Å; V338-D341 WeakPolarHBondContact O-CB 3.49Å; V338-D341 PolarHBondContact O-N 2.69Å; V338-I344 HydrophobicContact CB-CB 4.28Å; V338-I344 HydrophobicContact CB-CG2 4.18Å; V338-I344 HydrophobicContact CG1-CB 4.19Å; V338-I344 HydrophobicContact CG1-CG2 3.64Å; V338-I345 HydrophobicContact CB-CG1 4.37Å; V338-I345 HydrophobicContact CG1-CG1 4.13Å; V338-I345 HydrophobicContact CG2-CD1 3.76Å; V338-I345 HydrophobicContact CG2-CG1 3.66Å; V338-Y348 HydrophobicContact CG1-CE2 4.15Å
339	E	93.1	Very high	95.4	Very high	96 Å²	96	41.6 Å²	41.6	45%	0.449	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.1	40.8	-177.2	-52.1	-170.4	164.5	0	0	112.8	K312 Y313 K335 E336 D341	K312-E339 IonicContact NZ-OE1 2.76Å; K312-E339 PolarHBondContact NZ-OE1 2.71Å; Y313-E339 VanDerWaalsContact CE1-OE1 3.3Å; Y313-E339 WeakPolarHBondContact CE1-OE1 3.29Å; K335-E339 PolarHBondContact O-N 3.49Å; E336-E339 PolarHBondContact O-N 3.44Å; E339-D341 PolarHBondContact O-N 2.75Å
340	E	90.7	Very high	95.5	Very high	111 Å²	111	42.1 Å²	42.1	52%	0.519	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.9	12.5	-174.9	-54.4	-71.2	176.7	0	0	114.6	K335 V338 V342	K335-E340 WeakPolarHBondContact CG-OE2 3.28Å; K335-E340 PolarHBondContact O-N 3.09Å; V338-E340 VanDerWaalsContact C-N 3.26Å; V338-E340 PolarHBondContact O-N 3.25Å; E340-V342 PolarHBondContact O-N 3.12Å
341	D	92.6	Very high	95.6	Very high	62 Å²	62	43.6 Å²	43.6	33%	0.332	21%	0.213	S	C	.	.			trans	-75	99.6	175.2	-170.5	-18.6	0	0	0	111.3	V338 E339 S343 I344 I345	V338-D341 VanDerWaalsContact O-CB 3.25Å; V338-D341 WeakPolarHBondContact O-CB 3.49Å; V338-D341 PolarHBondContact O-N 2.69Å; E339-D341 PolarHBondContact O-N 2.75Å; D341-S343 PolarHBondContact O-N 3.32Å; D341-S343 VanDerWaalsContact OD1-CB 3.27Å; D341-S343 WeakPolarHBondContact OD1-CB 3.24Å; D341-S343 PolarHBondContact OD1-N 3.47Å; D341-S343 PolarHBondContact OD1-OG 3.05Å; D341-S343 PolarHBondContact OD2-OG 2.95Å; D341-I344 HydrophobicContact CB-CD1 3.88Å; D341-I344 HydrophobicContact CB-CG1 4.08Å; D341-I344 PolarHBondContact O-N 3.07Å; D341-I345 PolarHBondContact O-N 2.62Å
342	V	92.2	Very high	95.7	Very high	31 Å²	31	43.4 Å²	43.4	19%	0.188	21%	0.212	C	C	.	.	H	α-helix	trans	-62.8	-26.8	-179.2	-178.4	0	0	0	0	112.4	E340 I344 I345 K346 Y433	E340-V342 PolarHBondContact O-N 3.12Å; V342-I344 VanDerWaalsContact C-N 3.31Å; V342-I344 PolarHBondContact O-N 2.64Å; V342-I345 PolarHBondContact O-N 3.31Å; V342-K346 PolarHBondContact O-N 2.77Å; V342-Y433 HydrophobicContact CG1-CD2 3.35Å; V342-Y433 HydrophobicContact CG1-CE2 3.21Å; V342-Y433 HydrophobicContact CG1-CG 4.24Å
343	S	94.1	Very high	95.8	Very high	57 Å²	57	41 Å²	41	40%	0.399	20%	0.199	S	C	.	.	H	α-helix	trans	-68	-33	179.1	76.8	0	0	0	0	112.4	D341 K346 S347	D341-S343 PolarHBondContact O-N 3.32Å; D341-S343 VanDerWaalsContact OD1-CB 3.27Å; D341-S343 WeakPolarHBondContact OD1-CB 3.24Å; D341-S343 PolarHBondContact OD1-N 3.47Å; D341-S343 PolarHBondContact OD1-OG 3.05Å; D341-S343 PolarHBondContact OD2-OG 2.95Å; S343-K346 PolarHBondContact O-N 2.95Å; S343-S347 PolarHBondContact O-N 3.03Å; S343-S347 PolarHBondContact O-OG 3.16Å
344	I	96.3	Very high	95.9	Very high	6 Å²	6	45.2 Å²	45.2	3%	0.031	22%	0.218	C	C	.	.	H	α-helix	trans	-71.3	-43.8	176.5	-62.3	179.4	0	0	0	109.9	V338 D341 V342 K346 S347 Y348 H379 A384	V338-I344 HydrophobicContact CB-CB 4.28Å; V338-I344 HydrophobicContact CB-CG2 4.18Å; V338-I344 HydrophobicContact CG1-CB 4.19Å; V338-I344 HydrophobicContact CG1-CG2 3.64Å; D341-I344 HydrophobicContact CB-CD1 3.88Å; D341-I344 HydrophobicContact CB-CG1 4.08Å; D341-I344 PolarHBondContact O-N 3.07Å; V342-I344 VanDerWaalsContact C-N 3.31Å; V342-I344 PolarHBondContact O-N 2.64Å; I344-K346 VanDerWaalsContact C-N 3.29Å; I344-K346 PolarHBondContact O-N 2.83Å; I344-S347 PolarHBondContact O-N 2.92Å; I344-Y348 HydrophobicContact CG2-CD2 3.9Å; I344-Y348 HydrophobicContact CG2-CE2 3.52Å; I344-Y348 WeakPolarHBondContact O-CD2 3.13Å; I344-Y348 PolarHBondContact O-N 2.93Å; I344-H379 HydrophobicContact CD1-CB 4.43Å; I344-H379 WeakPolarHBondContact CD1-ND1 3.31Å; I344-H379 HydrophobicContact CG2-CB 3.81Å; I344-A384 HydrophobicContact CG2-CB 3.9Å
345	I	96.2	Very high	96	Very high	3 Å²	3	45.1 Å²	45.1	2%	0.015	22%	0.218	C	C	.	.	H	α-helix	trans	-59.1	-44	175.2	-59	176.2	0	0	0	110.4	V338 D341 V342 S347 Y348 L349 L429 A432 Y433	V338-I345 HydrophobicContact CB-CG1 4.37Å; V338-I345 HydrophobicContact CG1-CG1 4.13Å; V338-I345 HydrophobicContact CG2-CD1 3.76Å; V338-I345 HydrophobicContact CG2-CG1 3.66Å; D341-I345 PolarHBondContact O-N 2.62Å; V342-I345 PolarHBondContact O-N 3.31Å; I345-S347 PolarHBondContact O-N 2.74Å; I345-Y348 PolarHBondContact O-N 2.76Å; I345-L349 HydrophobicContact CG2-CD1 4.15Å; I345-L349 HydrophobicContact CG2-CG 4.47Å; I345-L349 WeakPolarHBondContact O-CG 3.39Å; I345-L349 PolarHBondContact O-N 3.28Å; I345-L429 HydrophobicContact CG2-CB 4.27Å; I345-A432 HydrophobicContact CD1-CB 4.24Å; I345-Y433 HydrophobicContact CB-CD2 4.49Å; I345-Y433 HydrophobicContact CG2-CD2 4.35Å
346	K	95.8	Very high	96.2	Very high	103 Å²	103	46 Å²	46	45%	0.448	22%	0.22	S	C	.	.	H	α-helix	trans	-58.4	-46.9	176.2	-174.1	-179.2	172.5	-173.9	0	112	V342 S343 I344 Y348 L349 E350 Y433	V342-K346 PolarHBondContact O-N 2.77Å; S343-K346 PolarHBondContact O-N 2.95Å; I344-K346 VanDerWaalsContact C-N 3.29Å; I344-K346 PolarHBondContact O-N 2.83Å; K346-Y348 VanDerWaalsContact C-N 3.33Å; K346-Y348 PolarHBondContact O-N 3.45Å; K346-L349 WeakPolarHBondContact O-CB 3.14Å; K346-L349 PolarHBondContact O-N 3.37Å; K346-E350 WeakPolarHBondContact CE-OE1 3.38Å; K346-E350 WeakPolarHBondContact O-CG 3.27Å; K346-E350 PolarHBondContact O-N 3.22Å; K346-Y433 HydrophobicContact CB-CD2 4.37Å; K346-Y433 HydrophobicContact CB-CE2 3.93Å; K346-Y433 HydrophobicContact CG-CE2 4.44Å
347	S	96.9	Very high	96.3	Very high	33 Å²	33	46.1 Å²	46.1	23%	0.231	22%	0.221	C	C	.	.	H	α-helix	trans	-62.1	-40.1	178.6	-59.4	0	0	0	0	111.9	S343 I344 I345 R351	S343-S347 PolarHBondContact O-N 3.03Å; S343-S347 PolarHBondContact O-OG 3.16Å; I344-S347 PolarHBondContact O-N 2.92Å; I345-S347 PolarHBondContact O-N 2.74Å; S347-R351 WeakPolarHBondContact O-CB 3.27Å; S347-R351 PolarHBondContact O-N 3.24Å
348	Y	98.2	Very high	96.5	Very high	1 Å²	1	46.4 Å²	46.4	0%	0.004	22%	0.224	C	C	.	.	H	α-helix	trans	-64	-42.4	172.6	-73	-40.3	0	0	0	112.9	F337 V338 I344 I345 K346 R351 L352 F377 I378 H379 A384 N385 V386	F337-Y348 HydrophobicContact CE1-CE2 4.07Å; V338-Y348 HydrophobicContact CG1-CE2 4.15Å; I344-Y348 HydrophobicContact CG2-CD2 3.9Å; I344-Y348 HydrophobicContact CG2-CE2 3.52Å; I344-Y348 WeakPolarHBondContact O-CD2 3.13Å; I344-Y348 PolarHBondContact O-N 2.93Å; I345-Y348 PolarHBondContact O-N 2.76Å; K346-Y348 VanDerWaalsContact C-N 3.33Å; K346-Y348 PolarHBondContact O-N 3.45Å; Y348-R351 PolarHBondContact O-N 3.38Å; Y348-L352 WeakPolarHBondContact O-CB 2.95Å; Y348-L352 VanDerWaalsContact O-CG 3.25Å; Y348-L352 WeakPolarHBondContact O-CG 3.05Å; Y348-L352 PolarHBondContact O-N 2.85Å; Y348-F377 AromaticContact CD1-CD1 3.65Å; Y348-F377 HydrophobicContact CD1-CD1 3.65Å; Y348-F377 HydrophobicContact CD1-CE1 4.25Å; Y348-F377 HydrophobicContact CD2-CD1 4.04Å; Y348-F377 HydrophobicContact CE1-CB 4.04Å; Y348-F377 AromaticContact CE1-CD1 3.7Å; Y348-F377 HydrophobicContact CE1-CD1 3.7Å; Y348-F377 HydrophobicContact CE1-CG 4.35Å; Y348-F377 HydrophobicContact CE2-CD1 4.09Å; Y348-F377 AromaticContact CG-CD1 3.82Å; Y348-F377 HydrophobicContact CG-CD1 3.82Å; Y348-F377 HydrophobicContact CG-CE1 4.18Å; Y348-F377 AromaticContact CZ-CD1 3.91Å; Y348-I378 PolarHBondContact OH-N 3.36Å; Y348-I378 PolarHBondContact OH-O 2.84Å; Y348-I378 VanDerWaalsContact OH-O 3.13Å; Y348-H379 WeakPolarHBondContact OH-CB 3.17Å; Y348-H379 PolarHBondContact OH-CD2 3.43Å; Y348-H379 PolarHBondContact OH-N 3.02Å; Y348-A384 HydrophobicContact CD1-CB 3.73Å; Y348-A384 HydrophobicContact CE1-CB 3.55Å; Y348-A384 HydrophobicContact CE2-CB 4.35Å; Y348-A384 HydrophobicContact CG-CB 4.23Å; Y348-N385 WeakPolarHBondContact CE1-O 3.33Å; Y348-V386 HydrophobicContact CD1-CG2 3.49Å; Y348-V386 VanDerWaalsContact CD1-CG2 3.49Å; Y348-V386 HydrophobicContact CE1-CG2 3.96Å; Y348-V386 HydrophobicContact CG-CG2 4.43Å
349	L	98.2	Very high	96.7	Very high	8 Å²	8	46.4 Å²	46.4	4%	0.042	22%	0.223	C	C	.	.	H	α-helix	trans	-61.9	-44	177.3	-77.9	170.7	0	0	0	112.4	I345 K346 R351 L352 R353 I426 L429 E430 Y433	I345-L349 HydrophobicContact CG2-CD1 4.15Å; I345-L349 HydrophobicContact CG2-CG 4.47Å; I345-L349 WeakPolarHBondContact O-CG 3.39Å; I345-L349 PolarHBondContact O-N 3.28Å; K346-L349 WeakPolarHBondContact O-CB 3.14Å; K346-L349 PolarHBondContact O-N 3.37Å; L349-R351 VanDerWaalsContact C-N 3.34Å; L349-L352 PolarHBondContact O-N 3.4Å; L349-R353 VanDerWaalsContact O-CG 3.27Å; L349-R353 WeakPolarHBondContact O-CG 3.43Å; L349-R353 PolarHBondContact O-N 3.39Å; L349-R353 VanDerWaalsContact O-N 3.09Å; L349-I426 HydrophobicContact CD2-CG2 4.13Å; L349-L429 HydrophobicContact CD2-CB 3.55Å; L349-L429 HydrophobicContact CG-CB 3.96Å; L349-E430 HydrophobicContact CD1-CG 4.03Å; L349-E430 HydrophobicContact CD2-CG 3.73Å; L349-Y433 HydrophobicContact CD1-CG 4.46Å
350	E	98	Very high	96.8	Very high	94 Å²	94	47.5 Å²	47.5	44%	0.439	22%	0.224	S	C	.	.	H	α-helix	trans	-58.4	-48.6	174.7	-72.5	171.7	-179.4	0	0	110.3	K346 L352 R353 E354	K346-E350 WeakPolarHBondContact CE-OE1 3.38Å; K346-E350 WeakPolarHBondContact O-CG 3.27Å; K346-E350 PolarHBondContact O-N 3.22Å; E350-L352 PolarHBondContact O-N 3.28Å; E350-R353 PolarHBondContact O-N 3.45Å; E350-E354 PolarHBondContact O-N 3.48Å; E350-E354 VanDerWaalsContact O-N 3.11Å
351	R	98.3	Very high	97.2	Very high	32 Å²	32	47.9 Å²	47.9	12%	0.121	23%	0.228	C	C	.	.	H	α-helix	trans	-64	-41.4	179.1	-174.9	55.9	173.7	177.8	-1.6	113.9	H204 S347 Y348 L349 R353 E354 I355 N385 V386	H204-R351 PolarHBondContact O-NH2 3.37Å; S347-R351 WeakPolarHBondContact O-CB 3.27Å; S347-R351 PolarHBondContact O-N 3.24Å; Y348-R351 PolarHBondContact O-N 3.38Å; L349-R351 VanDerWaalsContact C-N 3.34Å; R351-R353 VanDerWaalsContact C-N 3.3Å; R351-R353 PolarHBondContact O-N 2.99Å; R351-E354 WeakPolarHBondContact CD-OE2 3.31Å; R351-E354 IonicContact CZ-OE2 2.82Å; R351-E354 IonicContact NH1-OE2 3.39Å; R351-E354 PolarHBondContact NH1-OE2 3.09Å; R351-E354 WeakPolarHBondContact O-CB 3.45Å; R351-E354 PolarHBondContact O-N 3.39Å; R351-I355 HydrophobicContact CG-CD1 4.26Å; R351-I355 WeakPolarHBondContact O-CG1 3.29Å; R351-I355 PolarHBondContact O-N 3.37Å; R351-N385 WeakPolarHBondContact CD-OD1 3.28Å; R351-N385 PolarHBondContact NE-OD1 2.97Å; R351-V386 HydrophobicContact CB-CG2 4.37Å; R351-V386 HydrophobicContact CG-CB 3.88Å; R351-V386 HydrophobicContact CG-CG2 4.05Å; R351-V386 PolarHBondContact NE-O 3.41Å
352	L	98.8	Very high	97.5	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-65.4	-34.3	177.8	-71.7	173.1	0	0	0	112	Y348 L349 E350 I355 R356 L375 F377 V386 L422 L425 I426 L429	Y348-L352 WeakPolarHBondContact O-CB 2.95Å; Y348-L352 VanDerWaalsContact O-CG 3.25Å; Y348-L352 WeakPolarHBondContact O-CG 3.05Å; Y348-L352 PolarHBondContact O-N 2.85Å; L349-L352 PolarHBondContact O-N 3.4Å; E350-L352 PolarHBondContact O-N 3.28Å; L352-I355 HydrophobicContact CD2-CD1 4.43Å; L352-I355 PolarHBondContact O-N 3.21Å; L352-R356 WeakPolarHBondContact O-CB 3.44Å; L352-R356 PolarHBondContact O-N 3Å; L352-L375 HydrophobicContact CD2-CD1 3.83Å; L352-F377 HydrophobicContact CD1-CE1 4.15Å; L352-F377 HydrophobicContact CD1-CZ 4.19Å; L352-F377 HydrophobicContact CD2-CE1 4.34Å; L352-F377 HydrophobicContact CD2-CZ 4Å; L352-F377 HydrophobicContact CG-CE1 4.46Å; L352-V386 HydrophobicContact CD2-CG1 4.17Å; L352-V386 HydrophobicContact CD2-CG2 4.45Å; L352-L422 HydrophobicContact CB-CD1 4.37Å; L352-L422 HydrophobicContact CD2-CD1 3.84Å; L352-L425 HydrophobicContact CD1-CD2 4.46Å; L352-L425 HydrophobicContact CD1-CG 4.25Å; L352-L425 HydrophobicContact CD2-CD2 4.38Å; L352-I426 HydrophobicContact CB-CD1 4.22Å; L352-I426 HydrophobicContact CB-CG1 3.83Å; L352-I426 HydrophobicContact CD1-CG1 4.2Å; L352-L429 HydrophobicContact CD1-CD2 3.91Å
353	R	98.7	Very high	97.7	Very high	97 Å²	97	48 Å²	48	37%	0.366	23%	0.227	S	C	.	.	H	α-helix	trans	-67.3	-41.2	174.3	-71.2	168.1	-177.2	156.1	-0.5	111.3	L349 E350 R351 R356 E357 E430	L349-R353 VanDerWaalsContact O-CG 3.27Å; L349-R353 WeakPolarHBondContact O-CG 3.43Å; L349-R353 PolarHBondContact O-N 3.39Å; L349-R353 VanDerWaalsContact O-N 3.09Å; E350-R353 PolarHBondContact O-N 3.45Å; R351-R353 VanDerWaalsContact C-N 3.3Å; R351-R353 PolarHBondContact O-N 2.99Å; R353-R356 WeakPolarHBondContact O-CB 3.35Å; R353-R356 PolarHBondContact O-N 2.94Å; R353-E357 WeakPolarHBondContact O-CG 3.49Å; R353-E357 PolarHBondContact O-N 3.49Å; R353-E430 IonicContact CZ-OE1 2.87Å; R353-E430 IonicContact NE-OE1 3.96Å; R353-E430 IonicContact NH2-OE1 3.11Å; R353-E430 PolarHBondContact NH2-OE1 3.33Å
354	E	98.7	Very high	97.9	Very high	100 Å²	100	45.8 Å²	45.8	47%	0.467	21%	0.211	S	C	.	.	H	α-helix	trans	-59.5	-46.5	172.4	-66.6	174	177.3	0	0	111.8	F205 E350 R351 R356 E357 A358	F205-E354 HydrophobicContact CE1-CB 3.7Å; F205-E354 HydrophobicContact CZ-CB 3.91Å; E350-E354 PolarHBondContact O-N 3.48Å; E350-E354 VanDerWaalsContact O-N 3.11Å; R351-E354 WeakPolarHBondContact CD-OE2 3.31Å; R351-E354 IonicContact CZ-OE2 2.82Å; R351-E354 IonicContact NH1-OE2 3.39Å; R351-E354 PolarHBondContact NH1-OE2 3.09Å; R351-E354 WeakPolarHBondContact O-CB 3.45Å; R351-E354 PolarHBondContact O-N 3.39Å; E354-R356 VanDerWaalsContact C-N 3.31Å; E354-R356 PolarHBondContact O-N 2.89Å; E354-E357 PolarHBondContact O-N 3.29Å; E354-A358 PolarHBondContact O-N 3.18Å
355	I	98.8	Very high	98	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-57.1	-46.4	175.6	-71	166.3	0	0	0	110.2	F205 R351 L352 E357 A358 L359 L375 V386 M388 L422	F205-I355 HydrophobicContact CB-CG1 4.31Å; F205-I355 HydrophobicContact CD1-CB 4.26Å; F205-I355 HydrophobicContact CD1-CD1 4.25Å; F205-I355 HydrophobicContact CD1-CG1 3.24Å; F205-I355 HydrophobicContact CE1-CG1 3.74Å; F205-I355 HydrophobicContact CG-CG1 4Å; R351-I355 HydrophobicContact CG-CD1 4.26Å; R351-I355 WeakPolarHBondContact O-CG1 3.29Å; R351-I355 PolarHBondContact O-N 3.37Å; L352-I355 HydrophobicContact CD2-CD1 4.43Å; L352-I355 PolarHBondContact O-N 3.21Å; I355-E357 VanDerWaalsContact C-N 3.35Å; I355-E357 PolarHBondContact O-N 3.09Å; I355-A358 PolarHBondContact O-N 2.9Å; I355-L359 HydrophobicContact CG2-CD1 3.67Å; I355-L359 HydrophobicContact CG2-CG 4.18Å; I355-L359 VanDerWaalsContact O-CG 3.26Å; I355-L359 WeakPolarHBondContact O-CG 3.32Å; I355-L359 PolarHBondContact O-N 3.39Å; I355-L375 HydrophobicContact CD1-CD2 4.23Å; I355-V386 HydrophobicContact CD1-CB 3.92Å; I355-V386 HydrophobicContact CD1-CG1 3.99Å; I355-M388 HydrophobicContact CG2-SD 4.31Å; I355-L422 HydrophobicContact CG2-CD2 4.25Å
356	R	98.7	Very high	98.1	Very high	46 Å²	46	48.9 Å²	48.9	17%	0.174	22%	0.224	C	C	.	.	H	α-helix	trans	-58.9	-44.2	179.2	-171.3	-178.6	66.5	-170.5	-5.8	112.3	L352 R353 E354 L359 R360 L422 E423	L352-R356 WeakPolarHBondContact O-CB 3.44Å; L352-R356 PolarHBondContact O-N 3Å; R353-R356 WeakPolarHBondContact O-CB 3.35Å; R353-R356 PolarHBondContact O-N 2.94Å; E354-R356 VanDerWaalsContact C-N 3.31Å; E354-R356 PolarHBondContact O-N 2.89Å; R356-L359 PolarHBondContact O-N 3.24Å; R356-R360 WeakPolarHBondContact O-CG 3.37Å; R356-R360 PolarHBondContact O-N 2.88Å; R356-L422 HydrophobicContact CB-CD2 3.73Å; R356-L422 HydrophobicContact CG-CD2 4.08Å; R356-E423 IonicContact CZ-OE2 3.3Å; R356-E423 IonicContact NH1-OE1 2.84Å; R356-E423 IonicContact NH1-OE2 2.9Å; R356-E423 PolarHBondContact NH1-OE2 3.49Å
357	E	98.5	Very high	98.3	Very high	85 Å²	85	49 Å²	49	40%	0.397	22%	0.224	S	C	.	.	H	α-helix	trans	-68.8	-37.6	178.6	-59.6	-41.7	137.7	0	0	111.9	R353 E354 I355 R360	R353-E357 WeakPolarHBondContact O-CG 3.49Å; R353-E357 PolarHBondContact O-N 3.49Å; E354-E357 PolarHBondContact O-N 3.29Å; I355-E357 VanDerWaalsContact C-N 3.35Å; I355-E357 PolarHBondContact O-N 3.09Å; E357-R360 PolarHBondContact O-N 3.41Å; E357-R360 IonicContact OE1-CZ 3.05Å; E357-R360 IonicContact OE1-NH1 3.04Å; E357-R360 PolarHBondContact OE1-NH1 3.23Å; E357-R360 IonicContact OE2-CZ 3.5Å; E357-R360 IonicContact OE2-NH1 3.51Å; E357-R360 PolarHBondContact OE2-NH1 3.48Å
358	A	98.6	Very high	98.3	Very high	8 Å²	8	48 Å²	48	7%	0.066	22%	0.216	C	C	.	.	H	α-helix	trans	-63.7	-42.7	174.5	0	0	0	0	0	112.3	L202 F205 E354 I355 R360 I361 S362	L202-A358 HydrophobicContact CD2-CB 3.91Å; F205-A358 HydrophobicContact CD2-CB 3.8Å; F205-A358 HydrophobicContact CE2-CB 3.36Å; F205-A358 HydrophobicContact CZ-CB 3.98Å; E354-A358 PolarHBondContact O-N 3.18Å; I355-A358 PolarHBondContact O-N 2.9Å; A358-R360 VanDerWaalsContact C-N 3.3Å; A358-R360 PolarHBondContact O-N 3.1Å; A358-I361 WeakPolarHBondContact O-CG1 3.45Å; A358-I361 PolarHBondContact O-N 3.42Å; A358-S362 WeakPolarHBondContact O-CB 3.21Å; A358-S362 PolarHBondContact O-N 2.94Å
359	L	98.7	Very high	98.3	Very high	1 Å²	1	48 Å²	48	1%	0.005	22%	0.216	C	C	.	.	H	α-helix	trans	-59.6	-37.7	176.3	-72.7	166.1	0	0	0	112.5	L202 I355 R356 I361 F365 M388 Y418 L419 L422	L202-L359 HydrophobicContact CD1-CD2 3.9Å; L202-L359 HydrophobicContact CD2-CD2 3.72Å; L202-L359 HydrophobicContact CD2-CG 3.92Å; L202-L359 HydrophobicContact CG-CD2 4.43Å; I355-L359 HydrophobicContact CG2-CD1 3.67Å; I355-L359 HydrophobicContact CG2-CG 4.18Å; I355-L359 VanDerWaalsContact O-CG 3.26Å; I355-L359 WeakPolarHBondContact O-CG 3.32Å; I355-L359 PolarHBondContact O-N 3.39Å; R356-L359 PolarHBondContact O-N 3.24Å; L359-I361 VanDerWaalsContact C-N 3.31Å; L359-I361 PolarHBondContact O-N 3.36Å; L359-F365 HydrophobicContact CB-CD1 4Å; L359-F365 HydrophobicContact CB-CE1 4.07Å; L359-F365 HydrophobicContact CB-CG 4.47Å; L359-F365 HydrophobicContact CD2-CB 4.25Å; L359-F365 HydrophobicContact CD2-CD1 3.86Å; L359-F365 HydrophobicContact CD2-CD2 3.4Å; L359-F365 VanDerWaalsContact CD2-CD2 3.4Å; L359-F365 HydrophobicContact CD2-CE1 3.98Å; L359-F365 HydrophobicContact CD2-CE2 3.57Å; L359-F365 HydrophobicContact CD2-CG 3.57Å; L359-F365 HydrophobicContact CD2-CZ 3.85Å; L359-F365 WeakPolarHBondContact O-CD1 3.4Å; L359-M388 HydrophobicContact CD2-CE 3.83Å; L359-M388 HydrophobicContact CD2-SD 3.96Å; L359-Y418 HydrophobicContact CD1-CD1 4.24Å; L359-Y418 HydrophobicContact CD1-CE1 3.85Å; L359-L419 HydrophobicContact CB-CD2 4.07Å; L359-L419 HydrophobicContact CD1-CD2 3.94Å; L359-L422 HydrophobicContact CD1-CD2 3.53Å
360	R	96.9	Very high	98.3	Very high	120 Å²	120	47.6 Å²	47.6	45%	0.453	21%	0.214	S	C	.	.	H	α-helix	trans	-65.8	-31.8	179.8	-75.9	176.5	176.1	152.4	1.3	113.6	R356 E357 A358 K366	R356-R360 WeakPolarHBondContact O-CG 3.37Å; R356-R360 PolarHBondContact O-N 2.88Å; E357-R360 PolarHBondContact O-N 3.41Å; E357-R360 IonicContact OE1-CZ 3.05Å; E357-R360 IonicContact OE1-NH1 3.04Å; E357-R360 PolarHBondContact OE1-NH1 3.23Å; E357-R360 IonicContact OE2-CZ 3.5Å; E357-R360 IonicContact OE2-NH1 3.51Å; E357-R360 PolarHBondContact OE2-NH1 3.48Å; A358-R360 VanDerWaalsContact C-N 3.3Å; A358-R360 PolarHBondContact O-N 3.1Å; R360-K366 WeakPolarHBondContact O-CE 3.33Å; R360-K366 PolarHBondContact O-NZ 3.27Å; R360-K366 VanDerWaalsContact O-NZ 3.08Å
361	I	97.6	Very high	98.3	Very high	118 Å²	118	43.1 Å²	43.1	61%	0.605	19%	0.193	S	C	*	.	H	α-helix	trans	-98.1	-17.8	-179.1	64.9	171.3	0	0	0	113	A201 A358 L359 D363	A201-I361 HydrophobicContact CB-CD1 3.92Å; A201-I361 HydrophobicContact CB-CG1 3.73Å; A358-I361 WeakPolarHBondContact O-CG1 3.45Å; A358-I361 PolarHBondContact O-N 3.42Å; L359-I361 VanDerWaalsContact C-N 3.31Å; L359-I361 PolarHBondContact O-N 3.36Å; I361-D363 PolarHBondContact O-N 3.27Å
362	S	98.6	Very high	98.1	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	19%	0.194	C	C	.	.			trans	-56.3	125.6	178	176	0	0	0	0	112.2	D200 L202 A358 F364 F365 K366	D200-S362 VanDerWaalsContact OD1-CB 3.29Å; D200-S362 WeakPolarHBondContact OD1-CB 3.41Å; D200-S362 PolarHBondContact OD1-OG 3.27Å; D200-S362 WeakPolarHBondContact OD2-CA 3.28Å; D200-S362 PolarHBondContact OD2-OG 2.87Å; L202-S362 WeakPolarHBondContact CD1-OG 3.35Å; A358-S362 WeakPolarHBondContact O-CB 3.21Å; A358-S362 PolarHBondContact O-N 2.94Å; S362-F364 PolarHBondContact OG-N 3.34Å; S362-F365 VanDerWaalsContact OG-CB 3.31Å; S362-F365 WeakPolarHBondContact OG-CB 3.46Å; S362-F365 PolarHBondContact OG-N 3.35Å; S362-K366 WeakPolarHBondContact O-CD 3.31Å; S362-K366 WeakPolarHBondContact O-CG 3.39Å
363	D	97.9	Very high	98	Very high	96 Å²	96	42.3 Å²	42.3	51%	0.513	19%	0.194	S	C	.	.	H	α-helix	trans	-80.2	-33.3	172.8	-82.3	-24.5	0	0	0	110.5	D200 I361 K367	D200-D363 PolarHBondContact OD2-N 3.08Å; I361-D363 PolarHBondContact O-N 3.27Å; D363-K367 WeakPolarHBondContact O-CB 3.44Å; D363-K367 WeakPolarHBondContact O-CG 3.36Å; D363-K367 PolarHBondContact O-N 3.47Å
364	F	98.4	Very high	98	Very high	10 Å²	10	37.7 Å²	37.7	4%	0.044	18%	0.177	C	C	.	.	H	α-helix	trans	-55.5	-56.9	171.3	172.2	-95	0	0	0	109.8	C193 D196 L197 D200 L202 S362 K366 K367 H368 T394	C193-F364 HydrophobicContact CB-CE2 4.05Å; C193-F364 HydrophobicContact CB-CZ 3.92Å; D196-F364 HydrophobicContact CB-CD2 3.7Å; D196-F364 HydrophobicContact CB-CE2 4.11Å; L197-F364 HydrophobicContact CD1-CE1 4.27Å; L197-F364 HydrophobicContact CD1-CZ 4.22Å; L197-F364 HydrophobicContact CD2-CB 4.42Å; L197-F364 HydrophobicContact CD2-CD1 3.54Å; L197-F364 HydrophobicContact CD2-CD2 4.42Å; L197-F364 HydrophobicContact CD2-CE1 3.84Å; L197-F364 HydrophobicContact CD2-CG 3.86Å; L197-F364 HydrophobicContact CD2-CZ 4.4Å; L197-F364 HydrophobicContact CG-CD1 4.07Å; L197-F364 HydrophobicContact CG-CD2 4.19Å; L197-F364 HydrophobicContact CG-CE1 4.04Å; L197-F364 HydrophobicContact CG-CE2 4.17Å; L197-F364 HydrophobicContact CG-CG 4.14Å; L197-F364 HydrophobicContact CG-CZ 4.1Å; D200-F364 HydrophobicContact CB-CB 4.05Å; D200-F364 WeakPolarHBondContact OD2-CB 3.49Å; D200-F364 PolarHBondContact OD2-N 3.31Å; L202-F364 HydrophobicContact CD1-CD1 4.13Å; S362-F364 PolarHBondContact OG-N 3.34Å; F364-K366 PolarHBondContact O-N 2.85Å; F364-K367 CarbonylContact O-C 3.57Å; F364-K367 PolarHBondContact O-N 3.23Å; F364-H368 AromaticContact CD2-CE1 3.32Å; F364-H368 WeakPolarHBondContact CD2-CE1 3.5Å; F364-H368 AromaticContact CD2-ND1 3.46Å; F364-H368 WeakPolarHBondContact CD2-ND1 3.47Å; F364-H368 AromaticContact CD2-NE2 3.85Å; F364-H368 AromaticContact CE2-CD2 3.6Å; F364-H368 AromaticContact CE2-CE1 3.39Å; F364-H368 WeakPolarHBondContact CE2-CE1 3.31Å; F364-H368 AromaticContact CE2-CG 3.73Å; F364-H368 AromaticContact CE2-ND1 3.59Å; F364-H368 AromaticContact CE2-NE2 3.41Å; F364-H368 WeakPolarHBondContact CE2-NE2 3.45Å; F364-H368 AromaticContact CG-ND1 3.92Å; F364-H368 HydrophobicContact CZ-CB 4.42Å; F364-H368 AromaticContact CZ-CD2 3.92Å; F364-H368 AromaticContact CZ-CG 3.91Å; F364-H368 PolarHBondContact O-N 3.27Å; F364-H368 PolarHBondContact O-ND1 3.36Å; F364-T394 HydrophobicContact CE1-CG2 4.31Å; F364-T394 HydrophobicContact CZ-CG2 3.85Å
365	F	98.6	Very high	98	Very high	2 Å²	2	32.9 Å²	32.9	1%	0.009	16%	0.155	C	C	.	.	H	α-helix	trans	-57.3	-51.3	-173.7	-171.5	-117.1	0	0	0	111.7	L202 L359 S362 K367 H368 V370 H405 Y418 L419	L202-F365 HydrophobicContact CD1-CB 4.18Å; L359-F365 HydrophobicContact CB-CD1 4Å; L359-F365 HydrophobicContact CB-CE1 4.07Å; L359-F365 HydrophobicContact CB-CG 4.47Å; L359-F365 HydrophobicContact CD2-CB 4.25Å; L359-F365 HydrophobicContact CD2-CD1 3.86Å; L359-F365 HydrophobicContact CD2-CD2 3.4Å; L359-F365 VanDerWaalsContact CD2-CD2 3.4Å; L359-F365 HydrophobicContact CD2-CE1 3.98Å; L359-F365 HydrophobicContact CD2-CE2 3.57Å; L359-F365 HydrophobicContact CD2-CG 3.57Å; L359-F365 HydrophobicContact CD2-CZ 3.85Å; L359-F365 WeakPolarHBondContact O-CD1 3.4Å; S362-F365 VanDerWaalsContact OG-CB 3.31Å; S362-F365 WeakPolarHBondContact OG-CB 3.46Å; S362-F365 PolarHBondContact OG-N 3.35Å; F365-K367 PolarHBondContact O-N 3.04Å; F365-K367 VanDerWaalsContact O-N 3.09Å; F365-H368 PolarHBondContact O-N 3.23Å; F365-H368 VanDerWaalsContact O-N 3.1Å; F365-V370 HydrophobicContact CD2-CG2 3.71Å; F365-V370 HydrophobicContact CE2-CB 4.22Å; F365-V370 HydrophobicContact CE2-CG2 3.79Å; F365-H405 AromaticContact CD1-CD2 3.57Å; F365-H405 AromaticContact CD1-NE2 3.77Å; F365-H405 HydrophobicContact CE1-CB 3.71Å; F365-H405 AromaticContact CE1-CD2 3.24Å; F365-H405 WeakPolarHBondContact CE1-CD2 3.44Å; F365-H405 AromaticContact CE1-CG 3.37Å; F365-H405 AromaticContact CE1-ND1 3.96Å; F365-H405 AromaticContact CE1-NE2 3.79Å; F365-H405 AromaticContact CE2-ND1 4Å; F365-H405 HydrophobicContact CZ-CB 3.73Å; F365-H405 AromaticContact CZ-CD2 3.74Å; F365-H405 AromaticContact CZ-CE1 3.99Å; F365-H405 AromaticContact CZ-CG 3.42Å; F365-H405 VanDerWaalsContact CZ-CG 3.42Å; F365-H405 AromaticContact CZ-ND1 3.62Å; F365-H405 PolarHBondContact O-CE1 2.94Å; F365-H405 PolarHBondContact O-NE2 3.27Å; F365-Y418 AromaticContact CE2-CD1 3.95Å; F365-Y418 HydrophobicContact CE2-CD1 3.95Å; F365-Y418 HydrophobicContact CE2-CD2 4.45Å; F365-Y418 HydrophobicContact CE2-CE1 4.5Å; F365-Y418 AromaticContact CE2-CG 3.95Å; F365-Y418 HydrophobicContact CE2-CG 3.95Å; F365-Y418 AromaticContact CZ-CD1 3.76Å; F365-Y418 HydrophobicContact CZ-CD1 3.76Å; F365-Y418 AromaticContact CZ-CG 3.93Å; F365-Y418 HydrophobicContact CZ-CG 3.93Å; F365-L419 HydrophobicContact CE1-CD1 4.07Å; F365-L419 HydrophobicContact CE1-CD2 4.11Å; F365-L419 HydrophobicContact CE1-CG 3.84Å; F365-L419 HydrophobicContact CZ-CD2 4.4Å; F365-L419 HydrophobicContact CZ-CG 4.17Å
366	K	98.3	Very high	97.9	Very high	72 Å²	72	33.3 Å²	33.3	31%	0.313	16%	0.157	S	C	.	.	H	α-helix	trans	-56.7	-29.7	179	-70.8	170	-172.1	156.3	0	114	R360 S362 F364 T402 L403	R360-K366 WeakPolarHBondContact O-CE 3.33Å; R360-K366 PolarHBondContact O-NZ 3.27Å; R360-K366 VanDerWaalsContact O-NZ 3.08Å; S362-K366 WeakPolarHBondContact O-CD 3.31Å; S362-K366 WeakPolarHBondContact O-CG 3.39Å; F364-K366 PolarHBondContact O-N 2.85Å; K366-T402 HydrophobicContact CB-CG2 4.48Å; K366-T402 CarbonylContact O-C 3.6Å; K366-T402 WeakPolarHBondContact O-CA 3.38Å; K366-T402 WeakPolarHBondContact O-CB 3.1Å; K366-L403 PolarHBondContact O-N 3.01Å
367	K	98.1	Very high	97.9	Very high	107 Å²	107	31.1 Å²	31.1	47%	0.465	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.8	5.7	-175.1	-66.6	175.2	-174.5	167.7	0	113.2	D363 F364 F365 L397	D363-K367 WeakPolarHBondContact O-CB 3.44Å; D363-K367 WeakPolarHBondContact O-CG 3.36Å; D363-K367 PolarHBondContact O-N 3.47Å; F364-K367 CarbonylContact O-C 3.57Å; F364-K367 PolarHBondContact O-N 3.23Å; F365-K367 PolarHBondContact O-N 3.04Å; F365-K367 VanDerWaalsContact O-N 3.09Å; K367-L397 WeakPolarHBondContact O-CB 3.46Å; K367-L397 VanDerWaalsContact O-CG 3.29Å; K367-L397 WeakPolarHBondContact O-CG 3.4Å; K367-L397 PolarHBondContact O-N 2.97Å
368	H	98.2	Very high	97.7	Very high	11 Å²	11	27.1 Å²	27.1	5%	0.051	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	142.3	-178	-74.3	75.6	0	0	0	111	D196 F364 F365 V370 T394 S395 A396 H405	D196-H368 IonicContact OD2-CE1 2.71Å; D196-H368 IonicContact OD2-NE2 2.8Å; F364-H368 AromaticContact CD2-CE1 3.32Å; F364-H368 WeakPolarHBondContact CD2-CE1 3.5Å; F364-H368 AromaticContact CD2-ND1 3.46Å; F364-H368 WeakPolarHBondContact CD2-ND1 3.47Å; F364-H368 AromaticContact CD2-NE2 3.85Å; F364-H368 AromaticContact CE2-CD2 3.6Å; F364-H368 AromaticContact CE2-CE1 3.39Å; F364-H368 WeakPolarHBondContact CE2-CE1 3.31Å; F364-H368 AromaticContact CE2-CG 3.73Å; F364-H368 AromaticContact CE2-ND1 3.59Å; F364-H368 AromaticContact CE2-NE2 3.41Å; F364-H368 WeakPolarHBondContact CE2-NE2 3.45Å; F364-H368 AromaticContact CG-ND1 3.92Å; F364-H368 HydrophobicContact CZ-CB 4.42Å; F364-H368 AromaticContact CZ-CD2 3.92Å; F364-H368 AromaticContact CZ-CG 3.91Å; F364-H368 PolarHBondContact O-N 3.27Å; F364-H368 PolarHBondContact O-ND1 3.36Å; F365-H368 PolarHBondContact O-N 3.23Å; F365-H368 VanDerWaalsContact O-N 3.1Å; H368-V370 HydrophobicContact CB-CG2 4.16Å; H368-T394 HydrophobicContact CB-CG2 3.91Å; H368-S395 CarbonylContact C-O 3.12Å; H368-S395 VanDerWaalsContact CA-O 3.28Å; H368-S395 WeakPolarHBondContact CA-O 3.46Å; H368-A396 PolarHBondContact CD2-N 3.03Å; H368-H405 PolarHBondContact O-CE1 3.17Å
369	E	97.8	Very high	97.6	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	110.9	162	167.5	179.1	179.4	0	0	108	R243 L246 I371 T394 S395 L397 L403 R414	R243-E369 IonicContact CZ-OE1 3.01Å; R243-E369 IonicContact NH1-OE1 2.71Å; R243-E369 PolarHBondContact NH1-OE1 2.86Å; R243-E369 IonicContact NH2-OE1 2.7Å; R243-E369 PolarHBondContact NH2-OE1 2.8Å; L246-E369 HydrophobicContact CD2-CG 4.22Å; L246-E369 VanDerWaalsContact CD2-OE1 3.28Å; L246-E369 WeakPolarHBondContact CD2-OE1 3.39Å; E369-I371 HydrophobicContact CG-CG1 3.61Å; E369-I371 PolarHBondContact O-N 3.03Å; E369-T394 CarbonylContact O-C 3.23Å; E369-T394 VanDerWaalsContact O-CA 3.26Å; E369-T394 WeakPolarHBondContact O-CA 3.42Å; E369-S395 PolarHBondContact N-O 3.19Å; E369-S395 PolarHBondContact O-N 3.35Å; E369-L397 HydrophobicContact CB-CD2 4.27Å; E369-L403 HydrophobicContact CB-CD1 4.12Å; E369-R414 IonicContact OE2-CZ 2.85Å; E369-R414 IonicContact OE2-NE 3.82Å; E369-R414 PolarHBondContact OE2-NE 3.27Å; E369-R414 IonicContact OE2-NH2 3.92Å; E369-R414 PolarHBondContact OE2-NH2 2.86Å
370	V	98.1	Very high	97.2	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.13	C	C	.	.			trans	-98.1	85	-170.4	-175.4	0	0	0	0	110.4	F365 H368 S373 T394 D416 Y418	F365-V370 HydrophobicContact CD2-CG2 3.71Å; F365-V370 HydrophobicContact CE2-CB 4.22Å; F365-V370 HydrophobicContact CE2-CG2 3.79Å; H368-V370 HydrophobicContact CB-CG2 4.16Å; V370-S373 WeakPolarHBondContact CG1-OG 3.47Å; V370-T394 HydrophobicContact CB-CG2 4.38Å; V370-T394 HydrophobicContact CG1-CG2 4.45Å; V370-T394 HydrophobicContact CG2-CG2 3.95Å; V370-D416 PolarHBondContact N-OD2 2.8Å; V370-Y418 HydrophobicContact CB-CD2 4.26Å; V370-Y418 HydrophobicContact CG1-CD2 3.83Å; V370-Y418 HydrophobicContact CG1-CE2 3.9Å
371	I	97.4	Very high	96.3	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.15	C	C	.	.			trans	-110.3	141.6	-176.5	-63.9	-62.9	0	0	0	111.9	R243 L246 E369 S373 K393 D416	R243-I371 HydrophobicContact CG-CD1 3.67Å; R243-I371 VanDerWaalsContact CZ-CD1 3.46Å; L246-I371 HydrophobicContact CD2-CB 4.04Å; L246-I371 HydrophobicContact CD2-CG1 4.12Å; L246-I371 HydrophobicContact CD2-CG2 4.37Å; L246-I371 HydrophobicContact CG-CG2 4.47Å; E369-I371 HydrophobicContact CG-CG1 3.61Å; E369-I371 PolarHBondContact O-N 3.03Å; I371-S373 PolarHBondContact O-N 2.82Å; I371-K393 HydrophobicContact CB-CB 4.49Å; I371-K393 HydrophobicContact CG2-CB 4.36Å; I371-K393 HydrophobicContact CG2-CD 4.5Å; I371-K393 CarbonylContact O-C 3.51Å; I371-K393 WeakPolarHBondContact O-CB 3.27Å; I371-D416 HydrophobicContact CD1-CB 3.63Å; I371-D416 HydrophobicContact CG1-CB 4.46Å
372	G	93.9	Very high	95.3	Very high	15 Å²	15	23.6 Å²	23.6	16%	0.155	14%	0.136	C	C	.	.	S	Bend	trans	76.1	-0.3	173.6	0	0	0	0	0	114.9	K239	K239-G372 WeakPolarHBondContact CE-O 3.35Å
373	S	97.3	Very high	94.7	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.165	C	C	.	.			trans	-77.9	162.5	175.8	66.7	0	0	0	0	112.2	M240 V370 I371 I389 D390 Y418	M240-S373 PolarHBondContact N-O 3.06Å; V370-S373 WeakPolarHBondContact CG1-OG 3.47Å; I371-S373 PolarHBondContact O-N 2.82Å; S373-I389 WeakPolarHBondContact CA-O 3.2Å; S373-I389 VanDerWaalsContact CB-O 3.24Å; S373-I389 WeakPolarHBondContact CB-O 3.35Å; S373-D390 WeakPolarHBondContact CA-O 3.48Å; S373-D390 WeakPolarHBondContact CB-O 3.39Å; S373-Y418 WeakPolarHBondContact OG-CE2 3.26Å
374	S	98.3	Very high	94.5	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	155	-176.2	-76.1	0	0	0	0	112.1	D237 C238 K239 M388 I389	D237-S374 WeakPolarHBondContact OD1-CB 3.49Å; D237-S374 PolarHBondContact OD1-OG 2.91Å; C238-S374 CarbonylContact O-C 3.56Å; C238-S374 WeakPolarHBondContact O-CA 3.49Å; C238-S374 WeakPolarHBondContact O-CB 3.48Å; K239-S374 WeakPolarHBondContact CA-OG 3.33Å; S374-M388 WeakPolarHBondContact O-CA 3.27Å; S374-I389 PolarHBondContact N-O 3.37Å; S374-I389 PolarHBondContact O-N 3.42Å
375	L	98.6	Very high	94.3	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	119.7	159.4	-69.8	176.3	0	0	0	109	C238 M240 L352 I355 F377 V386 W387 M388 L422 L425	C238-L375 PolarHBondContact N-O 3.45Å; C238-L375 PolarHBondContact O-N 2.97Å; M240-L375 HydrophobicContact CE-CD1 3.87Å; M240-L375 HydrophobicContact CG-CB 4.41Å; M240-L375 HydrophobicContact CG-CD1 4.15Å; M240-L375 HydrophobicContact CG-CG 3.83Å; M240-L375 HydrophobicContact SD-CB 4.34Å; M240-L375 HydrophobicContact SD-CD1 3.69Å; M240-L375 HydrophobicContact SD-CG 3.95Å; L352-L375 HydrophobicContact CD2-CD1 3.83Å; I355-L375 HydrophobicContact CD1-CD2 4.23Å; L375-F377 HydrophobicContact CB-CD2 4.46Å; L375-F377 HydrophobicContact CB-CE2 3.83Å; L375-F377 WeakPolarHBondContact O-CD2 3.37Å; L375-V386 HydrophobicContact CB-CG1 3.9Å; L375-V386 HydrophobicContact CD2-CG1 4.05Å; L375-V386 HydrophobicContact CG-CG1 4.41Å; L375-W387 CarbonylContact C-O 3.5Å; L375-W387 WeakPolarHBondContact CA-O 3.34Å; L375-M388 HydrophobicContact CD2-CB 4.49Å; L375-M388 HydrophobicContact CD2-CG 3.58Å; L375-L422 HydrophobicContact CD1-CD1 4Å; L375-L425 HydrophobicContact CD1-CD2 3.88Å
376	L	97.9	Very high	94.3	Very high	9 Å²	9	29.1 Å²	29.1	5%	0.047	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	108.3	179	168.8	46.6	0	0	0	110.2	I68 L226 V235 I378 V386 W387 I389	I68-L376 HydrophobicContact CD1-CB 4.36Å; I68-L376 HydrophobicContact CD1-CD1 3.09Å; I68-L376 HydrophobicContact CD1-CD2 3.7Å; I68-L376 HydrophobicContact CD1-CG 3.86Å; I68-L376 HydrophobicContact CG1-CD1 4.22Å; I68-L376 HydrophobicContact CG1-CD2 4.06Å; L226-L376 HydrophobicContact CD1-CD2 3.77Å; V235-L376 HydrophobicContact CG1-CD1 3.28Å; L376-I378 HydrophobicContact CD1-CD1 4.18Å; L376-I378 HydrophobicContact CD1-CG1 3.83Å; L376-I378 HydrophobicContact CD2-CD1 3.92Å; L376-I378 HydrophobicContact CD2-CG1 4.5Å; L376-I378 HydrophobicContact CG-CD1 3.81Å; L376-I378 HydrophobicContact CG-CG1 3.96Å; L376-V386 VanDerWaalsContact O-CA 3.27Å; L376-V386 WeakPolarHBondContact O-CA 3.35Å; L376-W387 PolarHBondContact N-O 3.02Å; L376-W387 PolarHBondContact O-N 3.39Å; L376-W387 VanDerWaalsContact O-N 3.1Å; L376-I389 HydrophobicContact CB-CD1 3.8Å; L376-I389 HydrophobicContact CB-CG1 4.11Å; L376-I389 HydrophobicContact CB-CG2 4.28Å; L376-I389 HydrophobicContact CD2-CD1 4.11Å; L376-I389 HydrophobicContact CD2-CG2 4.34Å
377	F	97.9	Very high	94.3	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	125.6	176.7	-68.6	-101.7	0	0	0	110.3	V235 M236 C238 F334 F337 Y348 L352 L375 V386 L425 L429	V235-F377 CarbonylContact C-O 3.57Å; V235-F377 VanDerWaalsContact CA-O 3.29Å; V235-F377 WeakPolarHBondContact CA-O 3.33Å; M236-F377 HydrophobicContact CB-CB 4.11Å; M236-F377 PolarHBondContact N-O 2.86Å; M236-F377 PolarHBondContact O-N 3.18Å; C238-F377 HydrophobicContact CB-CD2 4.26Å; C238-F377 HydrophobicContact CB-CE2 3.87Å; F334-F377 HydrophobicContact CE1-CD1 4.41Å; F334-F377 HydrophobicContact CE1-CE1 4.29Å; F337-F377 HydrophobicContact CE1-CB 4.24Å; Y348-F377 AromaticContact CD1-CD1 3.65Å; Y348-F377 HydrophobicContact CD1-CD1 3.65Å; Y348-F377 HydrophobicContact CD1-CE1 4.25Å; Y348-F377 HydrophobicContact CD2-CD1 4.04Å; Y348-F377 HydrophobicContact CE1-CB 4.04Å; Y348-F377 AromaticContact CE1-CD1 3.7Å; Y348-F377 HydrophobicContact CE1-CD1 3.7Å; Y348-F377 HydrophobicContact CE1-CG 4.35Å; Y348-F377 HydrophobicContact CE2-CD1 4.09Å; Y348-F377 AromaticContact CG-CD1 3.82Å; Y348-F377 HydrophobicContact CG-CD1 3.82Å; Y348-F377 HydrophobicContact CG-CE1 4.18Å; Y348-F377 AromaticContact CZ-CD1 3.91Å; L352-F377 HydrophobicContact CD1-CE1 4.15Å; L352-F377 HydrophobicContact CD1-CZ 4.19Å; L352-F377 HydrophobicContact CD2-CE1 4.34Å; L352-F377 HydrophobicContact CD2-CZ 4Å; L352-F377 HydrophobicContact CG-CE1 4.46Å; L375-F377 HydrophobicContact CB-CD2 4.46Å; L375-F377 HydrophobicContact CB-CE2 3.83Å; L375-F377 WeakPolarHBondContact O-CD2 3.37Å; F377-V386 HydrophobicContact CD1-CG1 4.46Å; F377-V386 HydrophobicContact CD1-CG2 3.64Å; F377-V386 HydrophobicContact CD2-CG1 4.37Å; F377-V386 HydrophobicContact CE1-CG1 4.34Å; F377-V386 HydrophobicContact CE1-CG2 3.72Å; F377-V386 HydrophobicContact CE2-CG1 4.24Å; F377-V386 HydrophobicContact CG-CG1 4.46Å; F377-V386 HydrophobicContact CG-CG2 4.25Å; F377-V386 HydrophobicContact CZ-CG1 4.22Å; F377-V386 HydrophobicContact CZ-CG2 4.39Å; F377-L425 HydrophobicContact CE2-CD2 4.2Å; F377-L425 HydrophobicContact CZ-CD2 3.8Å; F377-L425 HydrophobicContact CZ-CG 4.44Å; F377-L429 HydrophobicContact CE1-CD2 4.34Å
378	I	95.6	Very high	94.3	Very high	0 Å²	0	22 Å²	22	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	135.4	176.8	-57	158.1	0	0	0	109.3	L226 L227 F230 P233 N234 V235 Y348 L376 A384 N385 W387	L226-I378 HydrophobicContact CB-CD1 3.92Å; L227-I378 HydrophobicContact CD2-CB 4.3Å; L227-I378 HydrophobicContact CD2-CD1 3.32Å; L227-I378 HydrophobicContact CD2-CG1 3.67Å; L227-I378 HydrophobicContact CD2-CG2 3.62Å; L227-I378 HydrophobicContact CG-CD1 4.37Å; F230-I378 HydrophobicContact CD1-CG2 4.44Å; F230-I378 HydrophobicContact CD2-CG2 4.36Å; F230-I378 HydrophobicContact CE1-CG2 4.44Å; F230-I378 HydrophobicContact CE2-CG2 4.35Å; F230-I378 HydrophobicContact CG-CG2 4.38Å; F230-I378 HydrophobicContact CZ-CG2 4.38Å; P233-I378 HydrophobicContact CB-CG2 3.85Å; N234-I378 CarbonylContact O-C 3.56Å; N234-I378 VanDerWaalsContact O-CA 3.27Å; N234-I378 WeakPolarHBondContact O-CA 3.04Å; V235-I378 HydrophobicContact CG1-CG1 4.27Å; V235-I378 HydrophobicContact CG2-CG1 4.48Å; Y348-I378 PolarHBondContact OH-N 3.36Å; Y348-I378 PolarHBondContact OH-O 2.84Å; Y348-I378 VanDerWaalsContact OH-O 3.13Å; L376-I378 HydrophobicContact CD1-CD1 4.18Å; L376-I378 HydrophobicContact CD1-CG1 3.83Å; L376-I378 HydrophobicContact CD2-CD1 3.92Å; L376-I378 HydrophobicContact CD2-CG1 4.5Å; L376-I378 HydrophobicContact CG-CD1 3.81Å; L376-I378 HydrophobicContact CG-CG1 3.96Å; I378-A384 CarbonylContact O-C 3.59Å; I378-A384 WeakPolarHBondContact O-CA 3.29Å; I378-N385 PolarHBondContact N-O 3.32Å; I378-N385 PolarHBondContact O-N 3.21Å; I378-W387 HydrophobicContact CB-CZ3 3.91Å; I378-W387 HydrophobicContact CD1-CE3 3.71Å; I378-W387 HydrophobicContact CD1-CH2 4.13Å; I378-W387 HydrophobicContact CD1-CZ3 3.31Å; I378-W387 HydrophobicContact CG1-CE3 4.46Å; I378-W387 HydrophobicContact CG1-CZ3 3.98Å
379	H	94.8	Very high	94.3	Very high	5 Å²	5	22 Å²	22	2%	0.023	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	148.3	171	72.1	86.7	0	0	0	113.6	N234 F337 I344 Y348 R383 A384	N234-H379 VanDerWaalsContact CB-CE1 3.48Å; N234-H379 WeakPolarHBondContact CB-CE1 3.23Å; N234-H379 VanDerWaalsContact CB-NE2 3.29Å; N234-H379 WeakPolarHBondContact CB-NE2 3.4Å; N234-H379 VanDerWaalsContact CG-CE1 3.45Å; N234-H379 PolarHBondContact N-O 3.23Å; N234-H379 PolarHBondContact ND2-CE1 3.32Å; N234-H379 PolarHBondContact ND2-ND1 3.08Å; N234-H379 PolarHBondContact O-N 2.78Å; F337-H379 AromaticContact CE1-CD2 3.56Å; F337-H379 AromaticContact CE1-NE2 3.85Å; F337-H379 AromaticContact CZ-CD2 3.61Å; F337-H379 AromaticContact CZ-NE2 3.84Å; F337-H379 PolarHBondContact O-NE2 3.18Å; I344-H379 HydrophobicContact CD1-CB 4.43Å; I344-H379 WeakPolarHBondContact CD1-ND1 3.31Å; I344-H379 HydrophobicContact CG2-CB 3.81Å; Y348-H379 WeakPolarHBondContact OH-CB 3.17Å; Y348-H379 PolarHBondContact OH-CD2 3.43Å; Y348-H379 PolarHBondContact OH-N 3.02Å; H379-R383 CarbonylContact C-O 3.53Å; H379-R383 WeakPolarHBondContact CA-O 3.48Å; H379-R383 WeakPolarHBondContact CB-O 3.5Å; H379-A384 HydrophobicContact CB-CB 3.98Å
380	V	90	Very high	94.1	Very high	9 Å²	9	22.4 Å²	22.4	6%	0.055	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	122.8	171.9	174.8	0	0	0	0	109.3	F230 N231 P233 G382 R383	F230-V380 HydrophobicContact CB-CG2 3.94Å; F230-V380 HydrophobicContact CD1-CB 3.85Å; F230-V380 HydrophobicContact CD1-CG2 3.52Å; F230-V380 HydrophobicContact CE1-CB 4.5Å; F230-V380 HydrophobicContact CE1-CG2 4.47Å; F230-V380 HydrophobicContact CG-CG2 4.16Å; N231-V380 WeakPolarHBondContact O-CG1 3.25Å; P233-V380 VanDerWaalsContact CA-CG2 3.46Å; P233-V380 HydrophobicContact CB-CG2 3.98Å; V380-G382 PolarHBondContact O-N 3.31Å; V380-R383 PolarHBondContact N-O 3.35Å; V380-R383 PolarHBondContact O-N 3Å
381	C	79.8	Confident	94	Very high	129 Å²	129	22.4 Å²	22.4	87%	0.872	13%	0.128	S	C	*	.	T	Hydrogen-bonded Turn	trans	46.3	53.5	169.3	-55.8	0	0	0	0	113.4	R383	C381-R383 VanDerWaalsContact C-N 3.29Å; C381-R383 PolarHBondContact O-N 2.86Å
382	G	76.1	Confident	93.7	Very high	30 Å²	30	22.9 Å²	22.9	31%	0.309	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.1	-7.4	178.7	0	0	0	0	0	115.9	V380	V380-G382 PolarHBondContact O-N 3.31Å
383	R	85.2	Confident	93.7	Very high	159 Å²	159	23.3 Å²	23.3	60%	0.6	13%	0.131	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-92.7	127.5	169.2	-65.5	-176.2	-67.2	169.6	0.9	109.3	H379 V380 C381	H379-R383 CarbonylContact C-O 3.53Å; H379-R383 WeakPolarHBondContact CA-O 3.48Å; H379-R383 WeakPolarHBondContact CB-O 3.5Å; V380-R383 PolarHBondContact N-O 3.35Å; V380-R383 PolarHBondContact O-N 3Å; C381-R383 VanDerWaalsContact C-N 3.29Å; C381-R383 PolarHBondContact O-N 2.86Å
384	A	93.7	Very high	93.7	Very high	21 Å²	21	23.3 Å²	23.3	17%	0.174	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	143.3	-179.1	0	0	0	0	0	110.4	I344 Y348 I378 H379	I344-A384 HydrophobicContact CG2-CB 3.9Å; Y348-A384 HydrophobicContact CD1-CB 3.73Å; Y348-A384 HydrophobicContact CE1-CB 3.55Å; Y348-A384 HydrophobicContact CE2-CB 4.35Å; Y348-A384 HydrophobicContact CG-CB 4.23Å; I378-A384 CarbonylContact O-C 3.59Å; I378-A384 WeakPolarHBondContact O-CA 3.29Å; H379-A384 HydrophobicContact CB-CB 3.98Å
385	N	95.3	Very high	93.6	Very high	45 Å²	45	24.3 Å²	24.3	24%	0.241	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	158	176.7	-161.5	-6.6	0	0	0	110.8	Y348 R351 I378 W387	Y348-N385 WeakPolarHBondContact CE1-O 3.33Å; R351-N385 WeakPolarHBondContact CD-OD1 3.28Å; R351-N385 PolarHBondContact NE-OD1 2.97Å; I378-N385 PolarHBondContact N-O 3.32Å; I378-N385 PolarHBondContact O-N 3.21Å; N385-W387 HydrophobicContact CB-CE3 4.31Å; N385-W387 HydrophobicContact CB-CH2 3.4Å; N385-W387 VanDerWaalsContact CB-CH2 3.4Å; N385-W387 HydrophobicContact CB-CZ2 3.97Å; N385-W387 HydrophobicContact CB-CZ3 3.54Å; N385-W387 WeakPolarHBondContact ND2-CZ2 3.47Å
386	V	98.1	Very high	93.4	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	136.6	-176.4	-168	0	0	0	0	109.4	Y348 R351 L352 I355 L375 L376 F377	Y348-V386 HydrophobicContact CD1-CG2 3.49Å; Y348-V386 VanDerWaalsContact CD1-CG2 3.49Å; Y348-V386 HydrophobicContact CE1-CG2 3.96Å; Y348-V386 HydrophobicContact CG-CG2 4.43Å; R351-V386 HydrophobicContact CB-CG2 4.37Å; R351-V386 HydrophobicContact CG-CB 3.88Å; R351-V386 HydrophobicContact CG-CG2 4.05Å; R351-V386 PolarHBondContact NE-O 3.41Å; L352-V386 HydrophobicContact CD2-CG1 4.17Å; L352-V386 HydrophobicContact CD2-CG2 4.45Å; I355-V386 HydrophobicContact CD1-CB 3.92Å; I355-V386 HydrophobicContact CD1-CG1 3.99Å; L375-V386 HydrophobicContact CB-CG1 3.9Å; L375-V386 HydrophobicContact CD2-CG1 4.05Å; L375-V386 HydrophobicContact CG-CG1 4.41Å; L376-V386 VanDerWaalsContact O-CA 3.27Å; L376-V386 WeakPolarHBondContact O-CA 3.35Å; F377-V386 HydrophobicContact CD1-CG1 4.46Å; F377-V386 HydrophobicContact CD1-CG2 3.64Å; F377-V386 HydrophobicContact CD2-CG1 4.37Å; F377-V386 HydrophobicContact CE1-CG1 4.34Å; F377-V386 HydrophobicContact CE1-CG2 3.72Å; F377-V386 HydrophobicContact CE2-CG1 4.24Å; F377-V386 HydrophobicContact CG-CG1 4.46Å; F377-V386 HydrophobicContact CG-CG2 4.25Å; F377-V386 HydrophobicContact CZ-CG1 4.22Å; F377-V386 HydrophobicContact CZ-CG2 4.39Å
387	W	98.4	Very high	93.3	Very high	29 Å²	29	27.8 Å²	27.8	11%	0.11	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	147.4	176.3	-65.2	-95.8	0	0	0	111.7	F205 L226 F230 L375 L376 I378 N385 I389	F205-W387 CarbonylContact O-C 3.52Å; F205-W387 VanDerWaalsContact O-CA 3.28Å; F205-W387 WeakPolarHBondContact O-CA 3.38Å; L226-W387 HydrophobicContact CD1-CB 3.58Å; L226-W387 HydrophobicContact CD1-CD2 3.87Å; L226-W387 HydrophobicContact CD1-CE3 4.23Å; L226-W387 HydrophobicContact CD1-CG 3.61Å; L226-W387 HydrophobicContact CD2-CD2 3.93Å; L226-W387 HydrophobicContact CD2-CG 3.87Å; L226-W387 HydrophobicContact CD2-CZ2 4.3Å; L226-W387 HydrophobicContact CG-CD2 4.35Å; L226-W387 HydrophobicContact CG-CG 4.34Å; F230-W387 HydrophobicContact CE2-CH2 4.23Å; F230-W387 HydrophobicContact CZ-CH2 4.35Å; L375-W387 CarbonylContact C-O 3.5Å; L375-W387 WeakPolarHBondContact CA-O 3.34Å; L376-W387 PolarHBondContact N-O 3.02Å; L376-W387 PolarHBondContact O-N 3.39Å; L376-W387 VanDerWaalsContact O-N 3.1Å; I378-W387 HydrophobicContact CB-CZ3 3.91Å; I378-W387 HydrophobicContact CD1-CE3 3.71Å; I378-W387 HydrophobicContact CD1-CH2 4.13Å; I378-W387 HydrophobicContact CD1-CZ3 3.31Å; I378-W387 HydrophobicContact CG1-CE3 4.46Å; I378-W387 HydrophobicContact CG1-CZ3 3.98Å; N385-W387 HydrophobicContact CB-CE3 4.31Å; N385-W387 HydrophobicContact CB-CH2 3.4Å; N385-W387 VanDerWaalsContact CB-CH2 3.4Å; N385-W387 HydrophobicContact CB-CZ2 3.97Å; N385-W387 HydrophobicContact CB-CZ3 3.54Å; N385-W387 WeakPolarHBondContact ND2-CZ2 3.47Å; W387-I389 HydrophobicContact CB-CG2 4.47Å
388	M	98.6	Very high	93.2	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	131.7	166.4	-64.4	171.1	66.6	0	0	109.5	L202 F205 V206 P207 I355 L359 S374 L375 F391	L202-M388 HydrophobicContact CD1-CE 4.25Å; L202-M388 HydrophobicContact CD1-SD 4.36Å; L202-M388 HydrophobicContact CD2-SD 3.95Å; F205-M388 PolarHBondContact O-N 3.41Å; V206-M388 HydrophobicContact CG1-CB 4.01Å; P207-M388 VanDerWaalsContact CD-O 3.22Å; P207-M388 WeakPolarHBondContact CD-O 3.42Å; I355-M388 HydrophobicContact CG2-SD 4.31Å; L359-M388 HydrophobicContact CD2-CE 3.83Å; L359-M388 HydrophobicContact CD2-SD 3.96Å; S374-M388 WeakPolarHBondContact O-CA 3.27Å; L375-M388 HydrophobicContact CD2-CB 4.49Å; L375-M388 HydrophobicContact CD2-CG 3.58Å; M388-F391 HydrophobicContact CB-CZ 3.94Å; M388-F391 HydrophobicContact CE-CE1 4.26Å
389	I	96.6	Very high	93	Very high	11 Å²	11	40.4 Å²	40.4	6%	0.056	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	170	-178.5	59.8	163.6	0	0	0	110.9	I68 P207 L226 S373 S374 L376 W387	I68-I389 HydrophobicContact CB-CD1 3.6Å; I68-I389 HydrophobicContact CD1-CD1 4.24Å; I68-I389 HydrophobicContact CG1-CD1 4.43Å; I68-I389 HydrophobicContact CG2-CD1 3.35Å; P207-I389 HydrophobicContact CG-CG2 3.87Å; L226-I389 HydrophobicContact CD1-CG2 3.94Å; S373-I389 WeakPolarHBondContact CA-O 3.2Å; S373-I389 VanDerWaalsContact CB-O 3.24Å; S373-I389 WeakPolarHBondContact CB-O 3.35Å; S374-I389 PolarHBondContact N-O 3.37Å; S374-I389 PolarHBondContact O-N 3.42Å; L376-I389 HydrophobicContact CB-CD1 3.8Å; L376-I389 HydrophobicContact CB-CG1 4.11Å; L376-I389 HydrophobicContact CB-CG2 4.28Å; L376-I389 HydrophobicContact CD2-CD1 4.11Å; L376-I389 HydrophobicContact CD2-CG2 4.34Å; W387-I389 HydrophobicContact CB-CG2 4.47Å
390	D	93.9	Very high	92.9	Very high	8 Å²	8	44.1 Å²	44.1	4%	0.043	27%	0.269	C	S	.	.			trans	63	72.5	172.7	-64.3	-32.6	0	0	0	114.9	S70 K184 E190 S373 G392	S70-D390 WeakPolarHBondContact CB-OD1 3.06Å; S70-D390 PolarHBondContact N-OD1 3.28Å; K184-D390 IonicContact NZ-OD1 3.58Å; K184-D390 PolarHBondContact NZ-OD1 2.74Å; E190-D390 WeakPolarHBondContact OE1-CA 3.41Å; S373-D390 WeakPolarHBondContact CA-O 3.48Å; S373-D390 WeakPolarHBondContact CB-O 3.39Å; D390-G392 VanDerWaalsContact C-N 3.28Å; D390-G392 PolarHBondContact O-N 2.68Å
391	F	96.1	Very high	93.2	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	29%	0.289	C	S	.	.			trans	-90.4	13.1	178.1	-56.4	-74.8	0	0	0	113.2	N189 E190 C193 F194 L197 V206 M388 K393 T394	N189-F391 PolarHBondContact ND2-O 3.1Å; E190-F391 HydrophobicContact CG-CB 4.22Å; E190-F391 PolarHBondContact OE1-N 2.89Å; C193-F391 HydrophobicContact CB-CB 3.59Å; C193-F391 HydrophobicContact CB-CG 4.11Å; F194-F391 HydrophobicContact CE1-CD2 4.31Å; F194-F391 HydrophobicContact CE1-CE2 4.25Å; F194-F391 HydrophobicContact CE2-CD2 4.33Å; F194-F391 HydrophobicContact CZ-CD2 4.07Å; F194-F391 HydrophobicContact CZ-CE2 4.31Å; L197-F391 HydrophobicContact CD1-CD2 4.04Å; L197-F391 HydrophobicContact CD1-CE1 4.22Å; L197-F391 HydrophobicContact CD1-CE2 3.71Å; L197-F391 HydrophobicContact CD1-CG 4.43Å; L197-F391 HydrophobicContact CD1-CZ 3.82Å; V206-F391 HydrophobicContact CB-CE2 4.33Å; V206-F391 HydrophobicContact CG1-CE2 3.87Å; V206-F391 HydrophobicContact CG1-CZ 3.61Å; M388-F391 HydrophobicContact CB-CZ 3.94Å; M388-F391 HydrophobicContact CE-CE1 4.26Å; F391-K393 PolarHBondContact O-N 3.42Å; F391-K393 VanDerWaalsContact O-N 3.09Å; F391-T394 HydrophobicContact CD1-CG2 4.39Å; F391-T394 WeakPolarHBondContact O-CB 3.47Å; F391-T394 PolarHBondContact O-N 2.99Å
392	G	92.8	Very high	94.1	Very high	11 Å²	11	46.8 Å²	46.8	11%	0.113	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-33.7	-176.4	0	0	0	0	0	114.9	N189 D390	N189-G392 PolarHBondContact ND2-O 3.06Å; D390-G392 VanDerWaalsContact C-N 3.28Å; D390-G392 PolarHBondContact O-N 2.68Å
393	K	93.8	Very high	95.1	Very high	24 Å²	24	46 Å²	46	10%	0.104	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.6	12.5	175.9	-62.4	-169.4	178.3	-157.7	0	113.9	L246 E249 I371 F391 S395	L246-K393 HydrophobicContact CD1-CB 4.38Å; E249-K393 IonicContact OE1-NZ 3.53Å; E249-K393 PolarHBondContact OE1-NZ 2.78Å; E249-K393 IonicContact OE2-NZ 3.72Å; E249-K393 PolarHBondContact OE2-NZ 2.94Å; I371-K393 HydrophobicContact CB-CB 4.49Å; I371-K393 HydrophobicContact CG2-CB 4.36Å; I371-K393 HydrophobicContact CG2-CD 4.5Å; I371-K393 CarbonylContact O-C 3.51Å; I371-K393 WeakPolarHBondContact O-CB 3.27Å; F391-K393 PolarHBondContact O-N 3.42Å; F391-K393 VanDerWaalsContact O-N 3.09Å; K393-S395 PolarHBondContact O-N 3.37Å
394	T	96.8	Very high	95.7	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	26%	0.262	C	S	.	.			trans	-81.4	116.6	174.9	-64.5	0	0	0	0	109.1	N189 C193 F364 H368 E369 V370 F391	N189-T394 PolarHBondContact ND2-N 2.94Å; N189-T394 PolarHBondContact ND2-O 3.33Å; N189-T394 PolarHBondContact OD1-O 2.89Å; C193-T394 PolarHBondContact SG-O 3.28Å; F364-T394 HydrophobicContact CE1-CG2 4.31Å; F364-T394 HydrophobicContact CZ-CG2 3.85Å; H368-T394 HydrophobicContact CB-CG2 3.91Å; E369-T394 CarbonylContact O-C 3.23Å; E369-T394 VanDerWaalsContact O-CA 3.26Å; E369-T394 WeakPolarHBondContact O-CA 3.42Å; V370-T394 HydrophobicContact CB-CG2 4.38Å; V370-T394 HydrophobicContact CG1-CG2 4.45Å; V370-T394 HydrophobicContact CG2-CG2 3.95Å; F391-T394 HydrophobicContact CD1-CG2 4.39Å; F391-T394 WeakPolarHBondContact O-CB 3.47Å; F391-T394 PolarHBondContact O-N 2.99Å
395	S	94.8	Very high	95.9	Very high	20 Å²	20	44.9 Å²	44.9	14%	0.14	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	139.8	-172.1	53.6	0	0	0	0	111.8	H368 E369 K393 R414	H368-S395 CarbonylContact C-O 3.12Å; H368-S395 VanDerWaalsContact CA-O 3.28Å; H368-S395 WeakPolarHBondContact CA-O 3.46Å; E369-S395 PolarHBondContact N-O 3.19Å; E369-S395 PolarHBondContact O-N 3.35Å; K393-S395 PolarHBondContact O-N 3.37Å; S395-R414 PolarHBondContact OG-NH2 3.29Å
396	A	96.3	Very high	96.1	Very high	63 Å²	63	46 Å²	46	52%	0.521	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	140	173.1	0	0	0	0	0	110.8	H368	H368-A396 PolarHBondContact CD2-N 3.03Å
397	L	96	Very high	96	Very high	20 Å²	20	47.6 Å²	47.6	11%	0.105	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-75.1	161.2	173.5	-61.1	169.8	0	0	0	110.9	K367 E369 Q401 L403	K367-L397 WeakPolarHBondContact O-CB 3.46Å; K367-L397 VanDerWaalsContact O-CG 3.29Å; K367-L397 WeakPolarHBondContact O-CG 3.4Å; K367-L397 PolarHBondContact O-N 2.97Å; E369-L397 HydrophobicContact CB-CD2 4.27Å; L397-Q401 HydrophobicContact CB-CB 4.13Å; L397-Q401 HydrophobicContact CD1-CB 4.48Å; L397-L403 HydrophobicContact CD1-CB 4.38Å; L397-L403 HydrophobicContact CD1-CD1 4.26Å; L397-L403 HydrophobicContact CD1-CG 3.68Å; L397-L403 HydrophobicContact CD2-CD1 4.08Å; L397-L403 HydrophobicContact CD2-CG 4.12Å; L397-L403 HydrophobicContact CG-CG 4.48Å
398	P	94.3	Very high	95.7	Very high	63 Å²	63	50.1 Å²	50.1	41%	0.409	29%	0.29	S	S	.	.	S	Bend	trans	-55.8	150.4	168.6	-23	34.1	0	0	0	111.6	G400 Q401	P398-G400 PolarHBondContact O-N 3.37Å; P398-Q401 HydrophobicContact CB-CG 4.32Å; P398-Q401 WeakPolarHBondContact O-CB 3.45Å; P398-Q401 PolarHBondContact O-N 3.28Å
399	E	92.3	Very high	95.6	Very high	202 Å²	202	53 Å²	53	94%	0.944	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	131.4	-176.4	-169.9	174.4	-174.4	0	0	112.1	Q401	E399-Q401 VanDerWaalsContact C-N 3.3Å; E399-Q401 PolarHBondContact O-N 3.02Å
400	G	92.9	Very high	95.5	Very high	83 Å²	83	58.9 Å²	58.9	86%	0.856	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.4	-4.2	-179.8	0	0	0	0	0	115.6	P398	P398-G400 PolarHBondContact O-N 3.37Å
401	Q	95.9	Very high	95.4	Very high	101 Å²	101	62.7 Å²	62.7	47%	0.472	35%	0.346	S	S	.	.			trans	-88.4	151.1	174.1	-62.5	-171.7	14.7	0	0	112	L397 P398 E399	L397-Q401 HydrophobicContact CB-CB 4.13Å; L397-Q401 HydrophobicContact CD1-CB 4.48Å; P398-Q401 HydrophobicContact CB-CG 4.32Å; P398-Q401 WeakPolarHBondContact O-CB 3.45Å; P398-Q401 PolarHBondContact O-N 3.28Å; E399-Q401 VanDerWaalsContact C-N 3.3Å; E399-Q401 PolarHBondContact O-N 3.02Å
402	T	97.8	Very high	95.3	Very high	93 Å²	93	65.5 Å²	65.5	57%	0.571	38%	0.375	S	S	*	.			trans	-141.2	147	174.8	58.8	0	0	0	0	110.7	K366	K366-T402 HydrophobicContact CB-CG2 4.48Å; K366-T402 CarbonylContact O-C 3.6Å; K366-T402 WeakPolarHBondContact O-CA 3.38Å; K366-T402 WeakPolarHBondContact O-CB 3.1Å
403	L	98.1	Very high	95.4	Very high	13 Å²	13	67.7 Å²	67.7	7%	0.068	38%	0.384	C	S	.	.			trans	-99.6	156.1	169.2	-67.7	178.2	0	0	0	111.1	K366 E369 L397 N413 R414 E415	K366-L403 PolarHBondContact O-N 3.01Å; E369-L403 HydrophobicContact CB-CD1 4.12Å; L397-L403 HydrophobicContact CD1-CB 4.38Å; L397-L403 HydrophobicContact CD1-CD1 4.26Å; L397-L403 HydrophobicContact CD1-CG 3.68Å; L397-L403 HydrophobicContact CD2-CD1 4.08Å; L397-L403 HydrophobicContact CD2-CG 4.12Å; L397-L403 HydrophobicContact CG-CG 4.48Å; L403-N413 WeakPolarHBondContact CD2-O 3.18Å; L403-R414 WeakPolarHBondContact CD1-O 3.21Å; L403-R414 HydrophobicContact CD2-CB 4.22Å; L403-E415 HydrophobicContact CD2-CG 4Å
404	R	97.9	Very high	95.6	Very high	154 Å²	154	68.2 Å²	68.2	58%	0.581	39%	0.385	S	S	*	.			trans	-95.6	-27.5	174.5	-61	178.5	45.6	152	1.1	112.8	D406 V407 E415	R404-D406 WeakPolarHBondContact CB-OD1 3.41Å; R404-D406 IonicContact CZ-OD1 3.11Å; R404-D406 IonicContact NE-OD1 3.83Å; R404-D406 PolarHBondContact NE-OD1 3.32Å; R404-D406 IonicContact NH2-OD1 2.69Å; R404-D406 PolarHBondContact NH2-OD1 3.03Å; R404-D406 IonicContact NH2-OD2 2.74Å; R404-D406 PolarHBondContact NH2-OD2 3.38Å; R404-D406 PolarHBondContact O-N 2.98Å; R404-V407 HydrophobicContact CB-CG1 4.45Å; R404-V407 HydrophobicContact CB-CG2 4.42Å; R404-E415 PolarHBondContact N-OE1 2.91Å
405	H	98.4	Very high	95.6	Very high	2 Å²	2	68.8 Å²	68.8	1%	0.009	39%	0.388	C	S	.	.	S	Bend	trans	62.3	-5.9	-178.2	-49.6	-85	0	0	0	115.5	F365 H368 E415 D416 G417 Y418 L419 L420	F365-H405 AromaticContact CD1-CD2 3.57Å; F365-H405 AromaticContact CD1-NE2 3.77Å; F365-H405 HydrophobicContact CE1-CB 3.71Å; F365-H405 AromaticContact CE1-CD2 3.24Å; F365-H405 WeakPolarHBondContact CE1-CD2 3.44Å; F365-H405 AromaticContact CE1-CG 3.37Å; F365-H405 AromaticContact CE1-ND1 3.96Å; F365-H405 AromaticContact CE1-NE2 3.79Å; F365-H405 AromaticContact CE2-ND1 4Å; F365-H405 HydrophobicContact CZ-CB 3.73Å; F365-H405 AromaticContact CZ-CD2 3.74Å; F365-H405 AromaticContact CZ-CE1 3.99Å; F365-H405 AromaticContact CZ-CG 3.42Å; F365-H405 VanDerWaalsContact CZ-CG 3.42Å; F365-H405 AromaticContact CZ-ND1 3.62Å; F365-H405 PolarHBondContact O-CE1 2.94Å; F365-H405 PolarHBondContact O-NE2 3.27Å; H368-H405 PolarHBondContact O-CE1 3.17Å; H405-E415 VanDerWaalsContact CA-OE2 3.28Å; H405-E415 WeakPolarHBondContact CA-OE2 3.3Å; H405-E415 PolarHBondContact N-OE2 3.11Å; H405-D416 IonicContact CE1-OD1 2.94Å; H405-D416 IonicContact CE1-OD2 3.23Å; H405-D416 PolarHBondContact CE1-OD2 2.67Å; H405-D416 VanDerWaalsContact CE1-OD2 3.27Å; H405-D416 IonicContact CG-OD1 2.88Å; H405-D416 IonicContact ND1-OD1 3.89Å; H405-D416 PolarHBondContact ND1-OD1 3.16Å; H405-D416 IonicContact ND1-OD2 3.2Å; H405-D416 PolarHBondContact ND1-OD2 3.25Å; H405-G417 CarbonylContact O-C 3.47Å; H405-G417 VanDerWaalsContact O-C 3.25Å; H405-G417 WeakPolarHBondContact O-CA 3.47Å; H405-Y418 PolarHBondContact O-N 3.26Å; H405-L419 HydrophobicContact CB-CB 4.18Å; H405-L419 HydrophobicContact CB-CD1 4.04Å; H405-L419 HydrophobicContact CB-CG 3.82Å; H405-L419 WeakPolarHBondContact O-CB 3.47Å; H405-L419 PolarHBondContact O-N 2.92Å; H405-L420 PolarHBondContact O-N 3.13Å
406	D	97.6	Very high	95.8	Very high	69 Å²	69	67.8 Å²	67.8	37%	0.369	38%	0.381	S	S	.	.	S	Bend	trans	-107.2	12.1	-179.8	75.9	-18	0	0	0	112.8	R404 L419 L420	R404-D406 WeakPolarHBondContact CB-OD1 3.41Å; R404-D406 IonicContact CZ-OD1 3.11Å; R404-D406 IonicContact NE-OD1 3.83Å; R404-D406 PolarHBondContact NE-OD1 3.32Å; R404-D406 IonicContact NH2-OD1 2.69Å; R404-D406 PolarHBondContact NH2-OD1 3.03Å; R404-D406 IonicContact NH2-OD2 2.74Å; R404-D406 PolarHBondContact NH2-OD2 3.38Å; R404-D406 PolarHBondContact O-N 2.98Å; D406-L419 HydrophobicContact CB-CB 4.24Å; D406-L420 WeakPolarHBondContact O-CD2 3.41Å
407	V	95.9	Very high	95.8	Very high	33 Å²	33	64.8 Å²	64.8	20%	0.2	36%	0.357	C	S	.	.	S	Bend	trans	-120.6	153.4	-179.9	-61.7	0	0	0	0	111.4	R404 E415	R404-V407 HydrophobicContact CB-CG1 4.45Å; R404-V407 HydrophobicContact CB-CG2 4.42Å; V407-E415 HydrophobicContact CG2-CB 4Å; V407-E415 HydrophobicContact CG2-CG 3.31Å; V407-E415 WeakPolarHBondContact CG2-OE1 3.35Å
408	P	93.9	Very high	96	Very high	82 Å²	82	63.9 Å²	63.9	53%	0.532	35%	0.352	S	S	.	.			trans	-62.3	139.9	175.5	-23.1	34.4	0	0	0	112.6	N413	P408-N413 PolarHBondContact O-ND2 3.24Å; P408-N413 VanDerWaalsContact O-ND2 3.15Å
409	W	95.7	Very high	96.2	Very high	61 Å²	61	62.1 Å²	62.1	23%	0.231	34%	0.339	C	S	.	.			trans	-65.2	137.6	171	174.2	67.6	0	0	0	111.6	R243 Y245 L250 E411 E415	R243-W409 VanDerWaalsContact NE-CD1 3.29Å; Y245-W409 HydrophobicContact CE2-CH2 4.3Å; Y245-W409 HydrophobicContact CE2-CZ2 4.39Å; Y245-W409 WeakPolarHBondContact OH-CH2 3.47Å; Y245-W409 WeakPolarHBondContact OH-CZ3 3.41Å; L250-W409 HydrophobicContact CD1-CH2 3.85Å; L250-W409 HydrophobicContact CD1-CZ2 3.77Å; W409-E411 HydrophobicContact CH2-CB 4.4Å; W409-E411 HydrophobicContact CZ2-CB 4Å; W409-E415 WeakPolarHBondContact CB-O 3.36Å
410	Q	94.2	Very high	96.5	Very high	135 Å²	135	55 Å²	55	63%	0.631	31%	0.307	S	S	*	.			trans	-138.7	136.2	166.7	-62.4	179	28.6	0	0	106.9	G412 N413	Q410-G412 PolarHBondContact O-N 3.03Å; Q410-G412 VanDerWaalsContact O-N 3.15Å; Q410-N413 PolarHBondContact N-ND2 2.93Å; Q410-N413 PolarHBondContact N-OD1 3.03Å; Q410-N413 PolarHBondContact O-N 3.3Å; Q410-N413 PolarHBondContact O-OD1 3.3Å
411	E	92.8	Very high	96.7	Very high	87 Å²	87	51 Å²	51	41%	0.407	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.6	125	177.3	-167.9	178.3	159.7	0	0	110.2	E247 R254 W409	E247-E411 HydrophobicContact CG-CG 4.35Å; R254-E411 IonicContact CZ-OE1 3.59Å; R254-E411 IonicContact CZ-OE2 2.71Å; R254-E411 IonicContact NH1-OE1 3.33Å; R254-E411 PolarHBondContact NH1-OE1 2.67Å; R254-E411 IonicContact NH1-OE2 3.09Å; R254-E411 IonicContact NH2-OE1 2.69Å; R254-E411 PolarHBondContact NH2-OE1 3.4Å; R254-E411 IonicContact NH2-OE2 3.44Å; R254-E411 PolarHBondContact NH2-OE2 3.23Å; W409-E411 HydrophobicContact CH2-CB 4.4Å; W409-E411 HydrophobicContact CZ2-CB 4Å
412	G	93.3	Very high	96.9	Very high	60 Å²	60	46.2 Å²	46.2	62%	0.619	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	104.6	-24	-174.2	0	0	0	0	0	114.2	E247 Q410	E247-G412 WeakPolarHBondContact OE1-CA 3.42Å; E247-G412 PolarHBondContact OE1-N 2.78Å; E247-G412 PolarHBondContact OE2-N 2.75Å; E247-G412 VanDerWaalsContact OE2-N 3.1Å; Q410-G412 PolarHBondContact O-N 3.03Å; Q410-G412 VanDerWaalsContact O-N 3.15Å
413	N	95.6	Very high	96.9	Very high	56 Å²	56	45 Å²	45	30%	0.299	23%	0.231	S	C	.	.	S	Bend	trans	-92.3	-11.5	-178.5	83.2	-0.3	0	0	0	114.1	L403 P408 Q410 E415	L403-N413 WeakPolarHBondContact CD2-O 3.18Å; P408-N413 PolarHBondContact O-ND2 3.24Å; P408-N413 VanDerWaalsContact O-ND2 3.15Å; Q410-N413 PolarHBondContact N-ND2 2.93Å; Q410-N413 PolarHBondContact N-OD1 3.03Å; Q410-N413 PolarHBondContact O-N 3.3Å; Q410-N413 PolarHBondContact O-OD1 3.3Å; N413-E415 HydrophobicContact CB-CG 4.48Å; N413-E415 PolarHBondContact O-N 2.7Å; N413-E415 WeakPolarHBondContact OD1-CB 3.45Å; N413-E415 PolarHBondContact OD1-N 3.35Å
414	R	96.4	Very high	96.9	Very high	35 Å²	35	46.6 Å²	46.6	13%	0.132	24%	0.24	C	C	.	.			trans	55.2	9	-178.8	-55.6	-173.8	69.7	163.5	13.7	116.5	R243 E247 E248 E369 S395 L403 D416	R243-R414 PolarHBondContact NH2-O 3.02Å; E247-R414 PolarHBondContact OE2-N 3.39Å; E248-R414 IonicContact OE1-CZ 3.89Å; E248-R414 VanDerWaalsContact OE1-CZ 3.3Å; E248-R414 IonicContact OE1-NE 3.79Å; E248-R414 IonicContact OE1-NH1 3.3Å; E248-R414 IonicContact OE1-NH2 2.76Å; E248-R414 PolarHBondContact OE1-NH2 3.21Å; E369-R414 IonicContact OE2-CZ 2.85Å; E369-R414 IonicContact OE2-NE 3.82Å; E369-R414 PolarHBondContact OE2-NE 3.27Å; E369-R414 IonicContact OE2-NH2 3.92Å; E369-R414 PolarHBondContact OE2-NH2 2.86Å; S395-R414 PolarHBondContact OG-NH2 3.29Å; L403-R414 WeakPolarHBondContact CD1-O 3.21Å; L403-R414 HydrophobicContact CD2-CB 4.22Å; R414-D416 PolarHBondContact O-N 3.01Å
415	E	98	Very high	96.9	Very high	12 Å²	12	39.2 Å²	39.2	6%	0.056	21%	0.212	C	C	.	.			trans	-63.3	139.4	-179.3	-72.8	-80.3	-175.1	0	0	110.7	R243 L403 R404 H405 V407 W409 N413	R243-E415 PolarHBondContact NE-O 2.88Å; R243-E415 PolarHBondContact NH2-O 2.91Å; L403-E415 HydrophobicContact CD2-CG 4Å; R404-E415 PolarHBondContact N-OE1 2.91Å; H405-E415 VanDerWaalsContact CA-OE2 3.28Å; H405-E415 WeakPolarHBondContact CA-OE2 3.3Å; H405-E415 PolarHBondContact N-OE2 3.11Å; V407-E415 HydrophobicContact CG2-CB 4Å; V407-E415 HydrophobicContact CG2-CG 3.31Å; V407-E415 WeakPolarHBondContact CG2-OE1 3.35Å; W409-E415 WeakPolarHBondContact CB-O 3.36Å; N413-E415 HydrophobicContact CB-CG 4.48Å; N413-E415 PolarHBondContact O-N 2.7Å; N413-E415 WeakPolarHBondContact OD1-CB 3.45Å; N413-E415 PolarHBondContact OD1-N 3.35Å
416	D	97.6	Very high	97	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.212	C	C	.	.			trans	-101.4	-19.1	-178.8	52.6	33.3	0	0	0	112.4	G241 L242 V370 I371 H405 R414 Y418	G241-D416 CarbonylContact C-O 3.55Å; G241-D416 VanDerWaalsContact CA-O 3.31Å; G241-D416 WeakPolarHBondContact CA-O 3.34Å; L242-D416 PolarHBondContact N-O 3.35Å; V370-D416 PolarHBondContact N-OD2 2.8Å; I371-D416 HydrophobicContact CD1-CB 3.63Å; I371-D416 HydrophobicContact CG1-CB 4.46Å; H405-D416 IonicContact CE1-OD1 2.94Å; H405-D416 IonicContact CE1-OD2 3.23Å; H405-D416 PolarHBondContact CE1-OD2 2.67Å; H405-D416 VanDerWaalsContact CE1-OD2 3.27Å; H405-D416 IonicContact CG-OD1 2.88Å; H405-D416 IonicContact ND1-OD1 3.89Å; H405-D416 PolarHBondContact ND1-OD1 3.16Å; H405-D416 IonicContact ND1-OD2 3.2Å; H405-D416 PolarHBondContact ND1-OD2 3.25Å; R414-D416 PolarHBondContact O-N 3.01Å; D416-Y418 PolarHBondContact O-N 2.88Å; D416-Y418 VanDerWaalsContact OD1-CB 3.32Å; D416-Y418 WeakPolarHBondContact OD1-CB 3.13Å; D416-Y418 PolarHBondContact OD1-N 3.45Å
417	G	97.9	Very high	97	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.211	C	C	.	.			trans	67.1	23.2	-176.1	0	0	0	0	0	113.5	H405 L419 L420 G421	H405-G417 CarbonylContact O-C 3.47Å; H405-G417 VanDerWaalsContact O-C 3.25Å; H405-G417 WeakPolarHBondContact O-CA 3.47Å; G417-L419 PolarHBondContact O-N 3.44Å; G417-L420 WeakPolarHBondContact O-CB 3.35Å; G417-L420 PolarHBondContact O-N 3.08Å; G417-G421 PolarHBondContact O-N 2.76Å
418	Y	98.7	Very high	97.1	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-61.1	-42.1	-175.8	-170	-70.8	0	0	0	112.2	M240 L359 F365 V370 S373 H405 D416 G421 L422	M240-Y418 HydrophobicContact CB-CD2 3.62Å; M240-Y418 HydrophobicContact CB-CE2 3.27Å; M240-Y418 HydrophobicContact CB-CG 4.37Å; M240-Y418 HydrophobicContact CE-CE1 4.47Å; M240-Y418 HydrophobicContact CG-CE2 3.79Å; L359-Y418 HydrophobicContact CD1-CD1 4.24Å; L359-Y418 HydrophobicContact CD1-CE1 3.85Å; F365-Y418 AromaticContact CE2-CD1 3.95Å; F365-Y418 HydrophobicContact CE2-CD1 3.95Å; F365-Y418 HydrophobicContact CE2-CD2 4.45Å; F365-Y418 HydrophobicContact CE2-CE1 4.5Å; F365-Y418 AromaticContact CE2-CG 3.95Å; F365-Y418 HydrophobicContact CE2-CG 3.95Å; F365-Y418 AromaticContact CZ-CD1 3.76Å; F365-Y418 HydrophobicContact CZ-CD1 3.76Å; F365-Y418 AromaticContact CZ-CG 3.93Å; F365-Y418 HydrophobicContact CZ-CG 3.93Å; V370-Y418 HydrophobicContact CB-CD2 4.26Å; V370-Y418 HydrophobicContact CG1-CD2 3.83Å; V370-Y418 HydrophobicContact CG1-CE2 3.9Å; S373-Y418 WeakPolarHBondContact OG-CE2 3.26Å; H405-Y418 PolarHBondContact O-N 3.26Å; D416-Y418 PolarHBondContact O-N 2.88Å; D416-Y418 VanDerWaalsContact OD1-CB 3.32Å; D416-Y418 WeakPolarHBondContact OD1-CB 3.13Å; D416-Y418 PolarHBondContact OD1-N 3.45Å; Y418-G421 WeakPolarHBondContact O-CA 3.31Å; Y418-G421 PolarHBondContact O-N 2.96Å; Y418-L422 PolarHBondContact O-N 3.34Å
419	L	98.6	Very high	97.3	Very high	27 Å²	27	33.6 Å²	33.6	14%	0.141	18%	0.176	C	C	.	.	H	α-helix	trans	-72.1	-31.2	177.6	-69.8	178.2	0	0	0	112.4	L359 F365 H405 D406 G417 G421 L422 E423	L359-L419 HydrophobicContact CB-CD2 4.07Å; L359-L419 HydrophobicContact CD1-CD2 3.94Å; F365-L419 HydrophobicContact CE1-CD1 4.07Å; F365-L419 HydrophobicContact CE1-CD2 4.11Å; F365-L419 HydrophobicContact CE1-CG 3.84Å; F365-L419 HydrophobicContact CZ-CD2 4.4Å; F365-L419 HydrophobicContact CZ-CG 4.17Å; H405-L419 HydrophobicContact CB-CB 4.18Å; H405-L419 HydrophobicContact CB-CD1 4.04Å; H405-L419 HydrophobicContact CB-CG 3.82Å; H405-L419 WeakPolarHBondContact O-CB 3.47Å; H405-L419 PolarHBondContact O-N 2.92Å; D406-L419 HydrophobicContact CB-CB 4.24Å; G417-L419 PolarHBondContact O-N 3.44Å; L419-G421 VanDerWaalsContact C-N 3.29Å; L419-L422 HydrophobicContact CD2-CD2 4.27Å; L419-L422 PolarHBondContact O-N 3.39Å; L419-E423 WeakPolarHBondContact O-CB 3.18Å; L419-E423 PolarHBondContact O-N 3.38Å
420	L	98.2	Very high	97.4	Very high	52 Å²	52	33.4 Å²	33.4	27%	0.272	18%	0.178	S	C	.	.	H	α-helix	trans	-61.1	-43	168.9	-67.3	173.4	0	0	0	110.6	L242 H405 D406 G417 N424	L242-L420 HydrophobicContact CD1-CD1 3.68Å; H405-L420 PolarHBondContact O-N 3.13Å; D406-L420 WeakPolarHBondContact O-CD2 3.41Å; G417-L420 WeakPolarHBondContact O-CB 3.35Å; G417-L420 PolarHBondContact O-N 3.08Å; L420-N424 WeakPolarHBondContact O-CB 3.47Å; L420-N424 PolarHBondContact O-N 3.04Å; L420-N424 VanDerWaalsContact O-N 3.08Å; L420-N424 PolarHBondContact O-ND2 3.08Å; L420-N424 VanDerWaalsContact O-ND2 3.08Å
421	G	98.5	Very high	97.5	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-55.5	-54.4	172.1	0	0	0	0	0	113.5	L303 G304 F305 G417 Y418 L419 E423 N424 L425	L303-G421 WeakPolarHBondContact O-CA 3.47Å; G304-G421 VanDerWaalsContact C-CA 3.5Å; G304-G421 WeakPolarHBondContact O-CA 3.3Å; F305-G421 WeakPolarHBondContact CD1-O 3.19Å; G417-G421 PolarHBondContact O-N 2.76Å; Y418-G421 WeakPolarHBondContact O-CA 3.31Å; Y418-G421 PolarHBondContact O-N 2.96Å; L419-G421 VanDerWaalsContact C-N 3.29Å; G421-E423 PolarHBondContact O-N 3.46Å; G421-N424 PolarHBondContact O-N 2.88Å; G421-L425 WeakPolarHBondContact O-CB 3.36Å; G421-L425 PolarHBondContact O-N 3.2Å
422	L	98.8	Very high	97.6	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-62.3	-42.3	-178.2	-179.7	58.1	0	0	0	112.3	M240 L352 I355 R356 L359 L375 Y418 L419 L425 I426	M240-L422 HydrophobicContact CE-CB 4.21Å; L352-L422 HydrophobicContact CB-CD1 4.37Å; L352-L422 HydrophobicContact CD2-CD1 3.84Å; I355-L422 HydrophobicContact CG2-CD2 4.25Å; R356-L422 HydrophobicContact CB-CD2 3.73Å; R356-L422 HydrophobicContact CG-CD2 4.08Å; L359-L422 HydrophobicContact CD1-CD2 3.53Å; L375-L422 HydrophobicContact CD1-CD1 4Å; Y418-L422 PolarHBondContact O-N 3.34Å; L419-L422 HydrophobicContact CD2-CD2 4.27Å; L419-L422 PolarHBondContact O-N 3.39Å; L422-L425 WeakPolarHBondContact O-CB 3.38Å; L422-L425 PolarHBondContact O-N 3.43Å; L422-I426 HydrophobicContact CD1-CD1 4.26Å; L422-I426 HydrophobicContact CD1-CG1 4.42Å; L422-I426 HydrophobicContact CG-CD1 4.14Å; L422-I426 WeakPolarHBondContact O-CG1 3.33Å; L422-I426 PolarHBondContact O-N 3.23Å
423	E	98.5	Very high	97.6	Very high	66 Å²	66	24.5 Å²	24.5	31%	0.308	12%	0.122	S	C	.	.	H	α-helix	trans	-65.5	-44.5	178.5	-170.1	61	-150.3	0	0	111.1	R356 L419 G421 L425 I426 L427	R356-E423 IonicContact CZ-OE2 3.3Å; R356-E423 IonicContact NH1-OE1 2.84Å; R356-E423 IonicContact NH1-OE2 2.9Å; R356-E423 PolarHBondContact NH1-OE2 3.49Å; L419-E423 WeakPolarHBondContact O-CB 3.18Å; L419-E423 PolarHBondContact O-N 3.38Å; G421-E423 PolarHBondContact O-N 3.46Å; E423-L425 VanDerWaalsContact C-N 3.28Å; E423-L425 PolarHBondContact O-N 2.71Å; E423-I426 PolarHBondContact O-N 3.43Å; E423-L427 HydrophobicContact CG-CD1 4.32Å; E423-L427 WeakPolarHBondContact O-CB 3.47Å; E423-L427 VanDerWaalsContact O-CG 3.29Å; E423-L427 WeakPolarHBondContact O-CG 3.42Å; E423-L427 PolarHBondContact O-N 2.69Å
424	N	98.5	Very high	97.4	Very high	47 Å²	47	26.6 Å²	26.6	25%	0.251	13%	0.133	S	C	.	.	H	α-helix	trans	-62.2	-36.4	174.8	-77.3	-39.5	0	0	0	112.4	L303 F305 L420 G421 L427 T428	L303-N424 HydrophobicContact CB-CB 4.3Å; L303-N424 WeakPolarHBondContact O-CB 3.49Å; L303-N424 PolarHBondContact O-ND2 2.97Å; F305-N424 HydrophobicContact CE1-CB 4.08Å; L420-N424 WeakPolarHBondContact O-CB 3.47Å; L420-N424 PolarHBondContact O-N 3.04Å; L420-N424 VanDerWaalsContact O-N 3.08Å; L420-N424 PolarHBondContact O-ND2 3.08Å; L420-N424 VanDerWaalsContact O-ND2 3.08Å; G421-N424 PolarHBondContact O-N 2.88Å; N424-L427 PolarHBondContact O-N 2.62Å; N424-T428 VanDerWaalsContact O-CB 3.31Å; N424-T428 WeakPolarHBondContact O-CB 3.48Å; N424-T428 PolarHBondContact O-N 2.83Å; N424-T428 PolarHBondContact O-OG1 3.38Å
425	L	98.6	Very high	97	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-64.4	-47.9	176.1	-177.8	57.4	0	0	0	110.8	M240 F305 F334 L352 L375 F377 G421 L422 E423 L427 T428 L429	M240-L425 HydrophobicContact CE-CD2 4.34Å; M240-L425 HydrophobicContact SD-CD2 4.24Å; F305-L425 HydrophobicContact CD1-CB 3.93Å; F305-L425 HydrophobicContact CD2-CD1 4.13Å; F305-L425 HydrophobicContact CE1-CB 3.77Å; F305-L425 HydrophobicContact CE1-CD1 4.17Å; F305-L425 HydrophobicContact CE2-CD1 3.7Å; F305-L425 HydrophobicContact CG-CB 4.48Å; F305-L425 HydrophobicContact CZ-CB 4.2Å; F305-L425 HydrophobicContact CZ-CD1 3.72Å; F334-L425 HydrophobicContact CE2-CD1 3.83Å; F334-L425 HydrophobicContact CZ-CD1 3.74Å; L352-L425 HydrophobicContact CD1-CD2 4.46Å; L352-L425 HydrophobicContact CD1-CG 4.25Å; L352-L425 HydrophobicContact CD2-CD2 4.38Å; L375-L425 HydrophobicContact CD1-CD2 3.88Å; F377-L425 HydrophobicContact CE2-CD2 4.2Å; F377-L425 HydrophobicContact CZ-CD2 3.8Å; F377-L425 HydrophobicContact CZ-CG 4.44Å; G421-L425 WeakPolarHBondContact O-CB 3.36Å; G421-L425 PolarHBondContact O-N 3.2Å; L422-L425 WeakPolarHBondContact O-CB 3.38Å; L422-L425 PolarHBondContact O-N 3.43Å; E423-L425 VanDerWaalsContact C-N 3.28Å; E423-L425 PolarHBondContact O-N 2.71Å; L425-L427 PolarHBondContact O-N 3.42Å; L425-T428 WeakPolarHBondContact O-CB 3.04Å; L425-T428 PolarHBondContact O-N 2.94Å; L425-L429 HydrophobicContact CD1-CD1 3.55Å; L425-L429 HydrophobicContact CG-CD1 4.09Å; L425-L429 WeakPolarHBondContact O-CD1 3.49Å; L425-L429 PolarHBondContact O-N 2.8Å
426	I	98.7	Very high	95.7	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-56.4	-51.4	174.1	-69.3	167	0	0	0	110.3	L349 L352 L422 E423 T428 L429 E430	L349-I426 HydrophobicContact CD2-CG2 4.13Å; L352-I426 HydrophobicContact CB-CD1 4.22Å; L352-I426 HydrophobicContact CB-CG1 3.83Å; L352-I426 HydrophobicContact CD1-CG1 4.2Å; L422-I426 HydrophobicContact CD1-CD1 4.26Å; L422-I426 HydrophobicContact CD1-CG1 4.42Å; L422-I426 HydrophobicContact CG-CD1 4.14Å; L422-I426 WeakPolarHBondContact O-CG1 3.33Å; L422-I426 PolarHBondContact O-N 3.23Å; E423-I426 PolarHBondContact O-N 3.43Å; I426-T428 PolarHBondContact O-N 3.3Å; I426-T428 VanDerWaalsContact O-N 3.14Å; I426-L429 PolarHBondContact O-N 2.95Å; I426-L429 VanDerWaalsContact O-N 3.17Å; I426-E430 HydrophobicContact CG2-CG 4.35Å; I426-E430 WeakPolarHBondContact O-CG 3.3Å; I426-E430 PolarHBondContact O-N 2.96Å
427	L	98.3	Very high	94.2	Very high	67 Å²	67	30.5 Å²	30.5	35%	0.351	16%	0.16	S	C	.	.	H	α-helix	trans	-62.5	-21.3	177.9	-68.7	173.9	0	0	0	113.6	K327 E423 N424 L425 A431	K327-L427 PolarHBondContact NZ-O 3.25Å; K327-L427 VanDerWaalsContact NZ-O 3.07Å; E423-L427 HydrophobicContact CG-CD1 4.32Å; E423-L427 WeakPolarHBondContact O-CB 3.47Å; E423-L427 VanDerWaalsContact O-CG 3.29Å; E423-L427 WeakPolarHBondContact O-CG 3.42Å; E423-L427 PolarHBondContact O-N 2.69Å; N424-L427 PolarHBondContact O-N 2.62Å; L425-L427 PolarHBondContact O-N 3.42Å; L427-A431 PolarHBondContact O-N 3.46Å
428	T	98	Very high	92.3	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-81.9	-43.9	176.2	-60.5	0	0	0	0	110.6	K327 I330 I331 N424 L425 I426 A431 A432	K327-T428 WeakPolarHBondContact CE-OG1 3.41Å; K327-T428 HydrophobicContact CG-CG2 4.19Å; I330-T428 HydrophobicContact CB-CG2 4.31Å; I330-T428 HydrophobicContact CG2-CG2 3.73Å; I331-T428 HydrophobicContact CG1-CG2 3.72Å; N424-T428 VanDerWaalsContact O-CB 3.31Å; N424-T428 WeakPolarHBondContact O-CB 3.48Å; N424-T428 PolarHBondContact O-N 2.83Å; N424-T428 PolarHBondContact O-OG1 3.38Å; L425-T428 WeakPolarHBondContact O-CB 3.04Å; L425-T428 PolarHBondContact O-N 2.94Å; I426-T428 PolarHBondContact O-N 3.3Å; I426-T428 VanDerWaalsContact O-N 3.14Å; T428-A431 PolarHBondContact O-N 3.17Å; T428-A432 PolarHBondContact O-N 2.99Å
429	L	97.4	Very high	90.1	Very high	1 Å²	1	39 Å²	39	1%	0.005	21%	0.209	C	C	.	.	H	α-helix	trans	-67.7	-35.3	174.9	-86.7	74.9	0	0	0	112	F334 I345 L349 L352 F377 L425 I426 A431 A432 Y433	F334-L429 HydrophobicContact CD1-CD1 4.13Å; F334-L429 HydrophobicContact CD1-CG 4.32Å; F334-L429 HydrophobicContact CD2-CD1 4Å; F334-L429 HydrophobicContact CE1-CD1 3.9Å; F334-L429 HydrophobicContact CE1-CD2 4.49Å; F334-L429 HydrophobicContact CE1-CG 4.42Å; F334-L429 HydrophobicContact CE2-CD1 3.76Å; F334-L429 HydrophobicContact CG-CD1 4.19Å; F334-L429 HydrophobicContact CG-CG 4.49Å; F334-L429 HydrophobicContact CZ-CD1 3.72Å; I345-L429 HydrophobicContact CG2-CB 4.27Å; L349-L429 HydrophobicContact CD2-CB 3.55Å; L349-L429 HydrophobicContact CG-CB 3.96Å; L352-L429 HydrophobicContact CD1-CD2 3.91Å; F377-L429 HydrophobicContact CE1-CD2 4.34Å; L425-L429 HydrophobicContact CD1-CD1 3.55Å; L425-L429 HydrophobicContact CG-CD1 4.09Å; L425-L429 WeakPolarHBondContact O-CD1 3.49Å; L425-L429 PolarHBondContact O-N 2.8Å; I426-L429 PolarHBondContact O-N 2.95Å; I426-L429 VanDerWaalsContact O-N 3.17Å; L429-A431 VanDerWaalsContact C-N 3.33Å; L429-A431 PolarHBondContact O-N 3.35Å; L429-A432 WeakPolarHBondContact O-CB 3.45Å; L429-A432 PolarHBondContact O-N 3.47Å; L429-Y433 WeakPolarHBondContact O-CB 3.36Å; L429-Y433 PolarHBondContact O-N 3.34Å
430	E	97.8	Very high	87.7	Confident	57 Å²	57	44.6 Å²	44.6	27%	0.266	23%	0.234	S	C	.	.	H	α-helix	trans	-62.3	-40.7	173.5	-74.4	179	169.8	0	0	111.6	L349 R353 I426 Y433 N434	L349-E430 HydrophobicContact CD1-CG 4.03Å; L349-E430 HydrophobicContact CD2-CG 3.73Å; R353-E430 IonicContact CZ-OE1 2.87Å; R353-E430 IonicContact NE-OE1 3.96Å; R353-E430 IonicContact NH2-OE1 3.11Å; R353-E430 PolarHBondContact NH2-OE1 3.33Å; I426-E430 HydrophobicContact CG2-CG 4.35Å; I426-E430 WeakPolarHBondContact O-CG 3.3Å; I426-E430 PolarHBondContact O-N 2.96Å; E430-Y433 PolarHBondContact O-N 2.92Å; E430-N434 WeakPolarHBondContact O-CB 3.39Å; E430-N434 PolarHBondContact O-N 3.34Å; E430-N434 PolarHBondContact O-ND2 3.34Å; E430-N434 VanDerWaalsContact O-ND2 3.12Å
431	A	96.4	Very high	85.1	Confident	23 Å²	23	47 Å²	47	19%	0.19	25%	0.251	C	S	.	.	H	α-helix	trans	-63.3	-44.6	173.6	0	0	0	0	0	111.4	I331 L427 T428 L429 Y433 N434 E435	I331-A431 HydrophobicContact CD1-CB 3.69Å; I331-A431 HydrophobicContact CG1-CB 4.35Å; L427-A431 PolarHBondContact O-N 3.46Å; T428-A431 PolarHBondContact O-N 3.17Å; L429-A431 VanDerWaalsContact C-N 3.33Å; L429-A431 PolarHBondContact O-N 3.35Å; A431-Y433 VanDerWaalsContact C-N 3.33Å; A431-Y433 PolarHBondContact O-N 3.11Å; A431-N434 PolarHBondContact O-N 3Å; A431-E435 WeakPolarHBondContact O-CG 3.24Å; A431-E435 PolarHBondContact O-N 3.46Å
432	A	94.8	Very high	82.6	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-59.5	-42.3	175.7	0	0	0	0	0	112.4	I331 K335 I345 T428 L429 G436	I331-A432 HydrophobicContact CG2-CB 3.98Å; K335-A432 WeakPolarHBondContact CE-O 3.46Å; K335-A432 HydrophobicContact CG-CB 4.32Å; I345-A432 HydrophobicContact CD1-CB 4.24Å; T428-A432 PolarHBondContact O-N 2.99Å; L429-A432 WeakPolarHBondContact O-CB 3.45Å; L429-A432 PolarHBondContact O-N 3.47Å; A432-G436 PolarHBondContact O-N 3.05Å
433	Y	94.1	Very high	80	Confident	72 Å²	72	60.3 Å²	60.3	28%	0.282	32%	0.315	S	S	.	.	H	α-helix	trans	-62.6	-46.1	176.6	179.3	-90.2	0	0	0	112.5	V342 I345 K346 L349 L429 E430 A431 G436 S437	V342-Y433 HydrophobicContact CG1-CD2 3.35Å; V342-Y433 HydrophobicContact CG1-CE2 3.21Å; V342-Y433 HydrophobicContact CG1-CG 4.24Å; I345-Y433 HydrophobicContact CB-CD2 4.49Å; I345-Y433 HydrophobicContact CG2-CD2 4.35Å; K346-Y433 HydrophobicContact CB-CD2 4.37Å; K346-Y433 HydrophobicContact CB-CE2 3.93Å; K346-Y433 HydrophobicContact CG-CE2 4.44Å; L349-Y433 HydrophobicContact CD1-CG 4.46Å; L429-Y433 WeakPolarHBondContact O-CB 3.36Å; L429-Y433 PolarHBondContact O-N 3.34Å; E430-Y433 PolarHBondContact O-N 2.92Å; A431-Y433 VanDerWaalsContact C-N 3.33Å; A431-Y433 PolarHBondContact O-N 3.11Å; Y433-G436 PolarHBondContact O-N 3.4Å; Y433-S437 PolarHBondContact O-N 3.29Å; Y433-S437 PolarHBondContact O-OG 3.35Å
434	N	91.8	Very high	77.4	Confident	100 Å²	100	63.8 Å²	63.8	54%	0.535	34%	0.336	S	S	.	.	H	α-helix	trans	-68.1	-37.3	-178	-70.7	-28.4	0	0	0	112.3	E430 A431 S437 G438	E430-N434 WeakPolarHBondContact O-CB 3.39Å; E430-N434 PolarHBondContact O-N 3.34Å; E430-N434 PolarHBondContact O-ND2 3.34Å; E430-N434 VanDerWaalsContact O-ND2 3.12Å; A431-N434 PolarHBondContact O-N 3Å; N434-S437 WeakPolarHBondContact CA-OG 3.43Å; N434-S437 PolarHBondContact O-OG 3.14Å; N434-G438 PolarHBondContact O-N 3.32Å
435	E	87.1	Confident	74.8	Confident	81 Å²	81	65.8 Å²	65.8	38%	0.379	35%	0.353	S	S	.	.	H	α-helix	trans	-68.4	-35.1	175.8	-70.4	177.2	-167	0	0	112.4	K335 A431	K335-E435 IonicContact NZ-OE2 3.66Å; K335-E435 PolarHBondContact NZ-OE2 2.87Å; A431-E435 WeakPolarHBondContact O-CG 3.24Å; A431-E435 PolarHBondContact O-N 3.46Å
436	G	71.3	Confident	72.3	Confident	14 Å²	14	72.7 Å²	72.7	14%	0.144	39%	0.389	C	S	.	.	H	α-helix	trans	-74.5	-38.2	177.2	0	0	0	0	0	113.8	A432 Y433	A432-G436 PolarHBondContact O-N 3.05Å; Y433-G436 PolarHBondContact O-N 3.4Å
437	S	66.3	Low	69.8	Low	34 Å²	34	78.5 Å²	78.5	24%	0.238	43%	0.425	C	S	.	.	H	α-helix	trans	-74.6	-24	178.4	51.8	0	0	0	0	114	Y433 N434 E439 T441	Y433-S437 PolarHBondContact O-N 3.29Å; Y433-S437 PolarHBondContact O-OG 3.35Å; N434-S437 WeakPolarHBondContact CA-OG 3.43Å; N434-S437 PolarHBondContact O-OG 3.14Å; S437-E439 VanDerWaalsContact C-N 3.31Å; S437-E439 PolarHBondContact O-N 2.78Å; S437-T441 PolarHBondContact O-OG1 2.7Å
438	G	57.7	Low	67.4	Low	33 Å²	33	81 Å²	81	34%	0.34	44%	0.444	S	S	.	.	H	α-helix	trans	-69.4	-22.1	177.6	0	0	0	0	0	114.8	N434	N434-G438 PolarHBondContact O-N 3.32Å
439	E	51.9	Low	64.7	Low	145 Å²	145	88.6 Å²	88.6	68%	0.678	48%	0.484	S	S	*	.	H	α-helix	trans	-80	-34.4	177.8	-70.5	-167.6	161.6	0	0	112.8	S437 T441 K442 N443	S437-E439 VanDerWaalsContact C-N 3.31Å; S437-E439 PolarHBondContact O-N 2.78Å; E439-T441 VanDerWaalsContact C-N 3.28Å; E439-T441 PolarHBondContact O-N 3.32Å; E439-K442 PolarHBondContact O-N 3.14Å; E439-N443 PolarHBondContact O-N 3.43Å
440	E	49.2	Very low	61.9	Low	144 Å²	144	100 Å²	100	67%	0.673	53%	0.527	S	S	*	.	H	α-helix	trans	-65.4	-32.3	174.7	-73.1	-169.9	152.9	0	0	112.4
441	T	44.4	Very low	59.2	Low	103 Å²	103	104.7 Å²	104.7	63%	0.632	55%	0.554	S	S	*	*	H	α-helix	trans	-73.9	-29.3	-178.5	-43.3	0	0	0	0	112.3	S437 E439	S437-T441 PolarHBondContact O-OG1 2.7Å; E439-T441 VanDerWaalsContact C-N 3.28Å; E439-T441 PolarHBondContact O-N 3.32Å
442	K	44.4	Very low	56.4	Low	153 Å²	153	117.5 Å²	117.5	67%	0.665	61%	0.606	S	S	*	*	H	α-helix	trans	-79.8	-25.6	178.7	-74.8	-178.8	180	173.3	0	113.7	E439 S445	E439-K442 PolarHBondContact O-N 3.14Å; K442-S445 PolarHBondContact O-OG 3.47Å
443	N	43.8	Very low	54.5	Low	127 Å²	127	123.4 Å²	123.4	68%	0.679	64%	0.636	S	S	*	*	H	α-helix	trans	-80.1	-17.5	178.4	-74	-19.7	0	0	0	113.3	E439	E439-N443 PolarHBondContact O-N 3.43Å
444	N	45.2	Very low	52.4	Low	139 Å²	139	126.1 Å²	126.1	74%	0.743	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.2	-2.9	175.9	-79.4	-12.3	0	0	0	114.5
445	S	44	Very low	50.2	Low	89 Å²	89	127.5 Å²	127.5	62%	0.622	66%	0.661	S	S	*	*	S	Bend	trans	-99.7	11.7	-179.4	73.1	0	0	0	0	114.7	K442	K442-S445 PolarHBondContact O-OG 3.47Å
446	L	46.1	Very low	48.1	Very low	144 Å²	144	130.2 Å²	130.2	75%	0.754	68%	0.678	S	S	*	*	S	Bend	trans	-114.7	11.2	-175.1	-86.8	159.4	0	0	0	114.9
447	T	45.3	Very low	46.6	Very low	123 Å²	123	137.5 Å²	137.5	76%	0.755	71%	0.711	S	S	*	*	S	Bend	trans	-130.2	34.6	-178.7	47.3	0	0	0	0	115.4
448	T	47.8	Very low	45.3	Very low	120 Å²	120	144.4 Å²	144.4	74%	0.736	74%	0.743	S	S	*	*	S	Bend	trans	-145.6	90.6	160.5	49.7	0	0	0	0	109.3
449	D	41.9	Very low	44.4	Very low	158 Å²	158	152.4 Å²	152.4	85%	0.845	77%	0.772	S	S	*	*			trans	167.6	104.3	138	-89.5	-17.3	0	0	0	110
450	R	39.5	Very low	43.8	Very low	241 Å²	241	152.9 Å²	152.9	91%	0.909	78%	0.779	S	S	*	*			trans	-179.8	87.3	138.9	-100	171.9	-173.2	-159.2	1.9	109.1
451	D	40.3	Very low	43.4	Very low	155 Å²	155	153.7 Å²	153.7	83%	0.829	79%	0.788	S	S	*	*			trans	-158.1	101.9	141.7	-89.2	-27.5	0	0	0	106.2
452	F	37.9	Very low	43.3	Very low	292 Å²	292	158.3 Å²	158.3	100%	1.281	80%	0.802	S	S	*	*			trans	-177.6	0	138.8	-93.3	-64.5	0	0	0	110

Retrieved 452 of 452 residues in 113 ms (Link to these results)

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