A0A096MX05_PAPAN Loading...

Angiopoietin like 7

AlphaFold DB (A0A2K6RXI1), UniProt , Accession A0A096MX05, Species PAPAN (Papio anubis, Olive baboon), Gene ANGPTL7, Length 344 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.6	Very low	35.3	Very low	236 Å²	236	163.3 Å²	163.3	100%	1.163	86%	0.861	S	S	*	*				0	125.5	0	-71.7	-178.9	165.2	0	0	106.9
2	L	34.8	Very low	35.1	Very low	155 Å²	155	161.1 Å²	161.1	81%	0.812	85%	0.849	S	S	*	*			cis	-150.5	133.8	3.1	-124.9	94.1	0	0	0	107.7
3	K	31.8	Very low	35.2	Very low	194 Å²	194	157.3 Å²	157.3	84%	0.843	84%	0.842	S	S	*	*			trans	6.5	127.2	148.8	-64.5	172.7	175.1	-177.9	0	120.1
4	K	38.5	Very low	35.4	Very low	202 Å²	202	155.9 Å²	155.9	88%	0.878	83%	0.832	S	S	*	*			trans	-66.8	147.4	134.1	-76.6	-174.4	178.2	-178.6	0	107.8
5	P	41.7	Very low	35.6	Very low	113 Å²	113	158.9 Å²	158.9	73%	0.734	84%	0.836	S	S	*	*				-152.9	171.8	67.7	38.5	-18	0	0	0	115.2
6	L	32.1	Very low	35.8	Very low	177 Å²	177	158.3 Å²	158.3	93%	0.927	83%	0.831	S	S	*	*			trans	-165.9	117.2	139.5	-130.7	75	0	0	0	110.7
7	S	34.2	Very low	36	Very low	115 Å²	115	156 Å²	156	80%	0.804	83%	0.825	S	S	*	*			trans	-101.7	141.9	155.6	67.5	0	0	0	0	107.6
8	A	33.7	Very low	35.9	Very low	93 Å²	93	152.4 Å²	152.4	77%	0.769	82%	0.821	S	S	*	*			trans	158.1	104.8	149.9	0	0	0	0	0	109.7
9	V	37.8	Very low	35.8	Very low	144 Å²	144	154.6 Å²	154.6	87%	0.873	82%	0.823	S	S	*	*			trans	-145.1	97.6	149.9	-175	0	0	0	0	107.5
10	T	34.6	Very low	35.9	Very low	121 Å²	121	154 Å²	154	74%	0.742	82%	0.824	S	S	*	*			trans	-76.5	151.1	153.2	35	0	0	0	0	108.1
11	W	36.2	Very low	35.6	Very low	246 Å²	246	150.9 Å²	150.9	93%	0.932	82%	0.815	S	S	*	*			trans	-160.1	126.2	147.6	-112.4	49.5	0	0	0	109.1
12	L	32.6	Very low	35.5	Very low	137 Å²	137	148.1 Å²	148.1	72%	0.717	80%	0.799	S	S	*	*			trans	-89.6	145.6	174.1	-102.1	102.6	0	0	0	109.4	I14	L12-I14 HydrophobicContact CD2-CD1 3.87Å; L12-I14 HydrophobicContact CD2-CG1 4.26Å
13	C	35.7	Very low	35.8	Very low	112 Å²	112	146 Å²	146	76%	0.757	80%	0.795	S	S	*	*			trans	-142.9	113.1	151.3	-86	0	0	0	0	109.8
14	I	38.3	Very low	35.9	Very low	137 Å²	137	141.3 Å²	141.3	70%	0.703	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-101.8	123.9	171.2	-69.8	169.4	0	0	0	106.7	L12	L12-I14 HydrophobicContact CD2-CD1 3.87Å; L12-I14 HydrophobicContact CD2-CG1 4.26Å
15	F	39.1	Very low	35.6	Very low	202 Å²	202	142.1 Å²	142.1	89%	0.886	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-87.5	123.6	170.9	-89.1	-85.4	0	0	0	110.1
16	I	37.8	Very low	35.1	Very low	149 Å²	149	143.3 Å²	143.3	76%	0.764	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-94.6	125.9	173	-66.1	174.6	0	0	0	108.4
17	V	39.5	Very low	35.2	Very low	119 Å²	119	144 Å²	144	72%	0.721	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-84.5	123	169.2	175.6	0	0	0	0	108.5	F19	V17-F19 HydrophobicContact CG1-CD2 3.87Å; V17-F19 HydrophobicContact CG1-CE2 4.21Å
18	A	34.9	Very low	35.2	Very low	91 Å²	91	147.4 Å²	147.4	75%	0.752	79%	0.788	S	S	*	*			trans	-108	105.9	169.7	0	0	0	0	0	109.6
19	F	33.5	Very low	35.7	Very low	195 Å²	195	148.9 Å²	148.9	86%	0.855	79%	0.789	S	S	*	*			trans	-85.6	114.6	162.5	-98.1	-87.4	0	0	0	108.4	V17	V17-F19 HydrophobicContact CG1-CD2 3.87Å; V17-F19 HydrophobicContact CG1-CE2 4.21Å
20	V	36.8	Very low	35.4	Very low	141 Å²	141	146.8 Å²	146.8	86%	0.855	78%	0.781	S	S	*	*			trans	-90.9	109.8	169.7	179.7	0	0	0	0	107.6
21	S	31.4	Very low	35.3	Very low	90 Å²	90	150.2 Å²	150.2	63%	0.629	79%	0.786	S	S	*	*			trans	-94.2	149.7	161	51.3	0	0	0	0	109.3
22	H	29.6	Very low	35.3	Very low	177 Å²	177	150 Å²	150	82%	0.819	79%	0.785	S	S	*	*			trans	142.3	152.6	151.5	-81.1	80.3	0	0	0	110.5
23	P	42.9	Very low	35.4	Very low	112 Å²	112	153.4 Å²	153.4	73%	0.727	79%	0.794	S	S	*	*			cis	-130.6	150.7	-15.5	30	-10.6	0	0	0	113.4
24	A	33.4	Very low	35.4	Very low	95 Å²	95	154.2 Å²	154.2	79%	0.785	80%	0.796	S	S	*	*			trans	-118.9	112	161.5	0	0	0	0	0	108.8
25	W	31	Very low	36.2	Very low	219 Å²	219	153.4 Å²	153.4	83%	0.83	80%	0.799	S	S	*	*			trans	-156.7	121.1	167.3	-91.8	93.3	0	0	0	103.5
26	L	31.8	Very low	36.1	Very low	137 Å²	137	148.8 Å²	148.8	72%	0.717	80%	0.798	S	S	*	*				-160.6	153.8	54.4	-85.8	137.7	0	0	0	107.1
27	Q	34.3	Very low	36.5	Very low	191 Å²	191	150.4 Å²	150.4	89%	0.893	80%	0.803	S	S	*	*				-162.9	143.6	80.1	-84.6	175.5	-14.1	0	0	111.8
28	K	35.1	Very low	36.7	Very low	188 Å²	188	151.8 Å²	151.8	82%	0.817	81%	0.805	S	S	*	*			trans	-74.3	151.5	169.5	-81.3	175.7	173.3	174.8	0	111.4
29	P	44.4	Very low	37.2	Very low	123 Å²	123	156.1 Å²	156.1	80%	0.799	81%	0.807	S	S	*	*			trans	-90.6	146.4	171.8	35.5	-30.2	0	0	0	111.8
30	S	30.6	Very low	38.1	Very low	100 Å²	100	150.8 Å²	150.8	70%	0.699	80%	0.799	S	S	*	*			trans	-175	122.3	147.3	167.9	0	0	0	0	113.9
31	K	32.8	Very low	39	Very low	194 Å²	194	148.4 Å²	148.4	84%	0.843	79%	0.794	S	S	*	*			trans	67.4	104.4	141.3	-64.7	176.9	-176.4	179.9	0	121.3
32	R	36	Very low	40.1	Very low	240 Å²	240	149.1 Å²	149.1	91%	0.906	80%	0.795	S	S	*	*			trans	4.6	126.6	131.7	-135.6	178.5	-167.5	174.2	2.7	117.5
33	K	35.1	Very low	41.5	Very low	209 Å²	209	144 Å²	144	91%	0.909	78%	0.778	S	S	*	*				-164.7	133.2	127.3	-97	174.8	-169.8	-173.5	0	109.6
34	T	35.2	Very low	42.3	Very low	130 Å²	130	143.1 Å²	143.1	80%	0.798	77%	0.773	S	S	*	*			trans	-83.7	-177.7	171.8	18.3	0	0	0	0	111.5
35	P	54.3	Low	44	Very low	119 Å²	119	144.6 Å²	144.6	77%	0.773	76%	0.764	S	S	*	*			cis	-137.9	168.5	-16.3	29.7	-8.8	0	0	0	115.4
36	A	38.4	Very low	46	Very low	106 Å²	106	140.7 Å²	140.7	88%	0.876	76%	0.755	S	S	*	*				172.2	147.6	129.3	0	0	0	0	0	113.4
37	Q	44.5	Very low	48.2	Very low	183 Å²	183	137.2 Å²	137.2	86%	0.855	74%	0.739	S	S	*	*			trans	-77.1	156.3	-167.4	-75	155.9	-58.3	0	0	117.2
38	L	43.9	Very low	50.3	Low	147 Å²	147	134.6 Å²	134.6	77%	0.77	73%	0.725	S	S	*	*				146.8	124.4	105.6	-155.2	81.6	0	0	0	114
39	K	46.1	Very low	52.5	Low	183 Å²	183	131.5 Å²	131.5	80%	0.796	71%	0.714	S	S	*	*				164.9	118.5	124.9	-88.9	175.6	-175.5	-176.8	0	111.7
40	A	52.8	Low	54.3	Low	83 Å²	83	130.7 Å²	130.7	69%	0.686	70%	0.702	S	S	*	*			trans	-110.1	0.2	-167.5	0	0	0	0	0	115.5
41	A	56	Low	56.8	Low	90 Å²	90	133.1 Å²	133.1	74%	0.744	70%	0.7	S	S	*	*	S	Bend	trans	-88.1	-31.5	-171.6	0	0	0	0	0	114.8	C43	A41-C43 VanDerWaalsContact C-N 3.32Å
42	T	54.8	Low	59.3	Low	105 Å²	105	126.8 Å²	126.8	64%	0.644	68%	0.683	S	S	*	*	S	Bend	trans	-73.6	-23.7	174.1	19.4	0	0	0	0	113.1	C44	T42-C44 VanDerWaalsContact C-N 3.32Å; T42-C44 PolarHBondContact O-N 2.95Å
43	C	58	Low	61.7	Low	70 Å²	70	120.3 Å²	120.3	47%	0.473	66%	0.664	S	S	.	*	H	α-helix	trans	-65.9	-30.5	-179.8	-170.1	0	0	0	0	112.7	A41 V47	A41-C43 VanDerWaalsContact C-N 3.32Å; C43-V47 VanDerWaalsContact O-CB 3.23Å; C43-V47 WeakPolarHBondContact O-CB 3.47Å; C43-V47 WeakPolarHBondContact O-CG2 3.01Å; C43-V47 PolarHBondContact O-N 3.08Å
44	C	60.6	Low	64.2	Low	93 Å²	93	114.8 Å²	114.8	63%	0.628	65%	0.647	S	S	*	*	H	α-helix	trans	-72.4	-38.3	-174.1	-86.8	0	0	0	0	114.5	T42 K48	T42-C44 VanDerWaalsContact C-N 3.32Å; T42-C44 PolarHBondContact O-N 2.95Å; C44-K48 PolarHBondContact O-N 3.38Å
45	E	68.4	Low	66.6	Low	127 Å²	127	111.2 Å²	111.2	59%	0.593	63%	0.631	S	S	*	*	H	α-helix	trans	-76.6	-40.2	178.8	-74.4	-59	158.2	0	0	111.7	V47 K48 E49	E45-V47 VanDerWaalsContact C-N 3.3Å; E45-V47 PolarHBondContact O-N 3.21Å; E45-K48 WeakPolarHBondContact O-CB 3.23Å; E45-K48 PolarHBondContact O-N 3.03Å; E45-K48 VanDerWaalsContact O-N 3.08Å; E45-E49 PolarHBondContact O-N 3.39Å
46	E	72.6	Confident	68.3	Low	137 Å²	137	111.1 Å²	111.1	64%	0.64	62%	0.624	S	S	*	*	H	α-helix	trans	-59.9	-40.4	172.5	-69.7	179.2	168.8	0	0	111.7	K48 E49 L50	E46-K48 VanDerWaalsContact C-N 3.29Å; E46-K48 PolarHBondContact O-N 2.91Å; E46-E49 PolarHBondContact O-N 3.49Å; E46-L50 VanDerWaalsContact O-CB 3.23Å; E46-L50 WeakPolarHBondContact O-CB 3.27Å; E46-L50 PolarHBondContact O-N 3.01Å
47	V	77.4	Confident	70.8	Confident	63 Å²	63	112.2 Å²	112.2	38%	0.382	61%	0.614	S	S	.	*	H	α-helix	trans	-66.3	-30.8	175.9	167.6	0	0	0	0	112.1	C43 E45 K51	C43-V47 VanDerWaalsContact O-CB 3.23Å; C43-V47 WeakPolarHBondContact O-CB 3.47Å; C43-V47 WeakPolarHBondContact O-CG2 3.01Å; C43-V47 PolarHBondContact O-N 3.08Å; E45-V47 VanDerWaalsContact C-N 3.3Å; E45-V47 PolarHBondContact O-N 3.21Å; V47-K51 HydrophobicContact CG1-CD 4.46Å; V47-K51 WeakPolarHBondContact O-CB 3.47Å; V47-K51 VanDerWaalsContact O-CG 3.27Å; V47-K51 WeakPolarHBondContact O-CG 3.41Å; V47-K51 PolarHBondContact O-N 2.89Å
48	K	79	Confident	73	Confident	137 Å²	137	107 Å²	107	60%	0.596	60%	0.597	S	S	*	*	H	α-helix	trans	-75.6	-43.2	178.4	-167.7	-179.7	176.2	-170.5	0	111.6	C44 E45 E46 K51 A52	C44-K48 PolarHBondContact O-N 3.38Å; E45-K48 WeakPolarHBondContact O-CB 3.23Å; E45-K48 PolarHBondContact O-N 3.03Å; E45-K48 VanDerWaalsContact O-N 3.08Å; E46-K48 VanDerWaalsContact C-N 3.29Å; E46-K48 PolarHBondContact O-N 2.91Å; K48-K51 PolarHBondContact O-N 3.13Å; K48-A52 PolarHBondContact O-N 3.4Å
49	E	81.4	Confident	75.2	Confident	123 Å²	123	102.9 Å²	102.9	58%	0.575	58%	0.581	S	S	*	*	H	α-helix	trans	-59	-47.4	171.4	-170.1	74.9	-156.1	0	0	110.5	E45 E46 K51 A52 Q53	E45-E49 PolarHBondContact O-N 3.39Å; E46-E49 PolarHBondContact O-N 3.49Å; E49-K51 VanDerWaalsContact C-N 3.34Å; E49-K51 PolarHBondContact O-N 3.33Å; E49-A52 WeakPolarHBondContact O-CB 3.23Å; E49-A52 PolarHBondContact O-N 3.02Å; E49-A52 VanDerWaalsContact O-N 3.13Å; E49-Q53 WeakPolarHBondContact O-CG 3.44Å; E49-Q53 PolarHBondContact O-N 3.41Å
50	L	82.1	Confident	77.5	Confident	105 Å²	105	98.7 Å²	98.7	55%	0.55	57%	0.567	S	S	.	*	H	α-helix	trans	-62.6	-39.7	178.4	-154.7	81.4	0	0	0	111.7	E46 Q53 V54	E46-L50 VanDerWaalsContact O-CB 3.23Å; E46-L50 WeakPolarHBondContact O-CB 3.27Å; E46-L50 PolarHBondContact O-N 3.01Å; L50-Q53 PolarHBondContact O-N 3.48Å; L50-V54 WeakPolarHBondContact O-CB 3.21Å; L50-V54 WeakPolarHBondContact O-CG2 3.39Å; L50-V54 PolarHBondContact O-N 3.37Å
51	K	83.4	Confident	79.4	Confident	151 Å²	151	100.6 Å²	100.6	66%	0.657	57%	0.565	S	S	*	*	H	α-helix	trans	-63.3	-39.6	173.8	-82.6	178.8	179.7	-175.6	0	112.4	V47 K48 E49 V54 A55	V47-K51 HydrophobicContact CG1-CD 4.46Å; V47-K51 WeakPolarHBondContact O-CB 3.47Å; V47-K51 VanDerWaalsContact O-CG 3.27Å; V47-K51 WeakPolarHBondContact O-CG 3.41Å; V47-K51 PolarHBondContact O-N 2.89Å; K48-K51 PolarHBondContact O-N 3.13Å; E49-K51 VanDerWaalsContact C-N 3.34Å; E49-K51 PolarHBondContact O-N 3.33Å; K51-V54 PolarHBondContact O-N 2.96Å; K51-A55 WeakPolarHBondContact O-CB 3.4Å; K51-A55 PolarHBondContact O-N 2.99Å
52	A	84.3	Confident	81.1	Confident	61 Å²	61	99.1 Å²	99.1	50%	0.504	55%	0.549	S	S	.	.	H	α-helix	trans	-66.3	-41.8	176.1	0	0	0	0	0	111.5	K48 E49 A55 N56	K48-A52 PolarHBondContact O-N 3.4Å; E49-A52 WeakPolarHBondContact O-CB 3.23Å; E49-A52 PolarHBondContact O-N 3.02Å; E49-A52 VanDerWaalsContact O-N 3.13Å; A52-A55 PolarHBondContact O-N 3.36Å; A52-N56 PolarHBondContact O-N 2.94Å
53	Q	86.9	Confident	82.9	Confident	105 Å²	105	99.9 Å²	99.9	49%	0.491	55%	0.546	S	S	.	.	H	α-helix	trans	-62.8	-44.2	174.7	-70.5	178.4	3.8	0	0	112	E49 L50 A55 N56 L57	E49-Q53 WeakPolarHBondContact O-CG 3.44Å; E49-Q53 PolarHBondContact O-N 3.41Å; L50-Q53 PolarHBondContact O-N 3.48Å; Q53-A55 VanDerWaalsContact C-N 3.35Å; Q53-A55 PolarHBondContact O-N 3.48Å; Q53-N56 PolarHBondContact O-N 3.3Å; Q53-L57 PolarHBondContact O-N 2.89Å
54	V	87.8	Confident	84.6	Confident	93 Å²	93	101.3 Å²	101.3	56%	0.564	55%	0.548	S	S	*	.	H	α-helix	trans	-62.4	-41.8	176.4	169.7	0	0	0	0	111.3	L50 K51 L57 S58	L50-V54 WeakPolarHBondContact O-CB 3.21Å; L50-V54 WeakPolarHBondContact O-CG2 3.39Å; L50-V54 PolarHBondContact O-N 3.37Å; K51-V54 PolarHBondContact O-N 2.96Å; V54-L57 PolarHBondContact O-N 2.94Å; V54-S58 WeakPolarHBondContact O-CB 3.39Å; V54-S58 PolarHBondContact O-N 3.44Å
55	A	86.4	Confident	86.1	Confident	54 Å²	54	101.2 Å²	101.2	45%	0.446	54%	0.541	S	S	.	.	H	α-helix	trans	-62.7	-43.8	176	0	0	0	0	0	111.8	K51 A52 Q53 S58 S59	K51-A55 WeakPolarHBondContact O-CB 3.4Å; K51-A55 PolarHBondContact O-N 2.99Å; A52-A55 PolarHBondContact O-N 3.36Å; Q53-A55 VanDerWaalsContact C-N 3.35Å; Q53-A55 PolarHBondContact O-N 3.48Å; A55-S58 PolarHBondContact O-N 2.98Å; A55-S58 PolarHBondContact O-OG 3.26Å; A55-S59 PolarHBondContact O-N 3.42Å
56	N	90.1	Very high	87.2	Confident	118 Å²	118	101 Å²	101	63%	0.631	54%	0.538	S	S	*	.	H	α-helix	trans	-64.7	-43	177.8	-164.4	24	0	0	0	112.1	A52 Q53 S58 S59 L60	A52-N56 PolarHBondContact O-N 2.94Å; Q53-N56 PolarHBondContact O-N 3.3Å; N56-S58 VanDerWaalsContact C-N 3.31Å; N56-S58 PolarHBondContact O-N 2.69Å; N56-S59 PolarHBondContact O-N 3.03Å; N56-L60 PolarHBondContact O-N 3.28Å
57	L	91	Very high	88.2	Confident	129 Å²	129	99.7 Å²	99.7	68%	0.675	53%	0.53	S	S	*	.	H	α-helix	trans	-61	-41	174.8	-127.1	89.9	0	0	0	111.8	Q53 V54 S59 L60 L61	Q53-L57 PolarHBondContact O-N 2.89Å; V54-L57 PolarHBondContact O-N 2.94Å; L57-S59 VanDerWaalsContact C-N 3.32Å; L57-S59 PolarHBondContact O-N 2.91Å; L57-L60 PolarHBondContact O-N 3.31Å; L57-L61 WeakPolarHBondContact O-CB 3.37Å; L57-L61 PolarHBondContact O-N 2.91Å
58	S	89.7	Confident	89	Confident	72 Å²	72	103 Å²	103	50%	0.503	54%	0.542	S	S	.	.	H	α-helix	trans	-65.6	-36.1	178.7	76.5	0	0	0	0	112.4	V54 A55 N56 S62	V54-S58 WeakPolarHBondContact O-CB 3.39Å; V54-S58 PolarHBondContact O-N 3.44Å; A55-S58 PolarHBondContact O-N 2.98Å; A55-S58 PolarHBondContact O-OG 3.26Å; N56-S58 VanDerWaalsContact C-N 3.31Å; N56-S58 PolarHBondContact O-N 2.69Å; S58-S62 PolarHBondContact O-N 3.13Å; S58-S62 VanDerWaalsContact O-N 3.13Å
59	S	91.3	Very high	89.6	Confident	61 Å²	61	102.6 Å²	102.6	43%	0.427	54%	0.542	S	S	.	.	H	α-helix	trans	-66.7	-47.2	174.4	-170.2	0	0	0	0	111	A55 N56 L57 L61 S62 E63	A55-S59 PolarHBondContact O-N 3.42Å; N56-S59 PolarHBondContact O-N 3.03Å; L57-S59 VanDerWaalsContact C-N 3.32Å; L57-S59 PolarHBondContact O-N 2.91Å; S59-L61 VanDerWaalsContact C-N 3.32Å; S59-L61 PolarHBondContact O-N 3.47Å; S59-S62 WeakPolarHBondContact O-CB 3.38Å; S59-S62 PolarHBondContact O-N 3.36Å; S59-S62 VanDerWaalsContact O-N 3.15Å; S59-E63 PolarHBondContact O-N 3.48Å
60	L	93.3	Very high	90.1	Very high	95 Å²	95	104 Å²	104	50%	0.497	54%	0.542	S	S	.	.	H	α-helix	trans	-62.3	-39.8	178.6	-168.3	72.9	0	0	0	112	N56 L57 S62 E63 L64	N56-L60 PolarHBondContact O-N 3.28Å; L57-L60 PolarHBondContact O-N 3.31Å; L60-S62 VanDerWaalsContact C-N 3.32Å; L60-S62 PolarHBondContact O-N 3.48Å; L60-E63 PolarHBondContact O-N 3.01Å; L60-L64 HydrophobicContact CG-CD1 4.28Å; L60-L64 WeakPolarHBondContact O-CB 3.46Å; L60-L64 WeakPolarHBondContact O-CG 3.46Å; L60-L64 PolarHBondContact O-N 2.94Å
61	L	92.3	Very high	90.7	Very high	123 Å²	123	103.2 Å²	103.2	64%	0.644	54%	0.538	S	S	*	.	H	α-helix	trans	-62	-41	175.4	-173.6	68.3	0	0	0	111.4	L57 S59 L64 N65	L57-L61 WeakPolarHBondContact O-CB 3.37Å; L57-L61 PolarHBondContact O-N 2.91Å; S59-L61 VanDerWaalsContact C-N 3.32Å; S59-L61 PolarHBondContact O-N 3.47Å; L61-L64 PolarHBondContact O-N 2.83Å; L61-N65 WeakPolarHBondContact O-CB 3.44Å; L61-N65 PolarHBondContact O-N 3.15Å
62	S	91.4	Very high	91.2	Very high	59 Å²	59	104.3 Å²	104.3	41%	0.413	54%	0.538	S	S	.	.	H	α-helix	trans	-64.3	-41.4	176.2	-174.4	0	0	0	0	112.1	S58 S59 L60 N65 K66	S58-S62 PolarHBondContact O-N 3.13Å; S58-S62 VanDerWaalsContact O-N 3.13Å; S59-S62 WeakPolarHBondContact O-CB 3.38Å; S59-S62 PolarHBondContact O-N 3.36Å; S59-S62 VanDerWaalsContact O-N 3.15Å; L60-S62 VanDerWaalsContact C-N 3.32Å; L60-S62 PolarHBondContact O-N 3.48Å; S62-N65 PolarHBondContact O-N 3.41Å; S62-K66 WeakPolarHBondContact O-CG 3.36Å; S62-K66 PolarHBondContact O-N 3.34Å
63	E	93.1	Very high	91.6	Very high	122 Å²	122	105.3 Å²	105.3	57%	0.57	54%	0.538	S	S	*	.	H	α-helix	trans	-66.8	-42.8	176.3	-72.2	-173.6	172.4	0	0	112.7	S59 L60 K66 K67	S59-E63 PolarHBondContact O-N 3.48Å; L60-E63 PolarHBondContact O-N 3.01Å; E63-K66 PolarHBondContact O-N 3.22Å; E63-K67 WeakPolarHBondContact O-CB 3.4Å; E63-K67 PolarHBondContact O-N 3.39Å
64	L	93.6	Very high	92	Very high	99 Å²	99	103.1 Å²	103.1	52%	0.518	53%	0.534	S	S	.	.	H	α-helix	trans	-61.9	-42.9	175	-80.7	166.8	0	0	0	111.5	L60 L61 K66 K67 Q68	L60-L64 HydrophobicContact CG-CD1 4.28Å; L60-L64 WeakPolarHBondContact O-CB 3.46Å; L60-L64 WeakPolarHBondContact O-CG 3.46Å; L60-L64 PolarHBondContact O-N 2.94Å; L61-L64 PolarHBondContact O-N 2.83Å; L64-K66 PolarHBondContact O-N 2.94Å; L64-K67 PolarHBondContact O-N 3.49Å; L64-Q68 WeakPolarHBondContact O-CB 3.37Å; L64-Q68 PolarHBondContact O-N 3.13Å
65	N	92.6	Very high	92.4	Very high	92 Å²	92	101.8 Å²	101.8	49%	0.492	53%	0.526	S	S	.	.	H	α-helix	trans	-62.1	-45.1	177.5	-167.4	61.5	0	0	0	111.5	L61 S62 K67 Q68 E69	L61-N65 WeakPolarHBondContact O-CB 3.44Å; L61-N65 PolarHBondContact O-N 3.15Å; S62-N65 PolarHBondContact O-N 3.41Å; N65-K67 VanDerWaalsContact C-N 3.31Å; N65-K67 PolarHBondContact O-N 3.38Å; N65-Q68 PolarHBondContact O-N 3.05Å; N65-E69 WeakPolarHBondContact O-CB 3.37Å; N65-E69 PolarHBondContact O-N 3.32Å
66	K	91.7	Very high	92.9	Very high	121 Å²	121	102 Å²	102	53%	0.526	52%	0.522	S	S	.	.	H	α-helix	trans	-64.2	-34.5	175.8	-72.6	178.7	-177.5	178.5	0	112.9	S62 E63 L64 R70	S62-K66 WeakPolarHBondContact O-CG 3.36Å; S62-K66 PolarHBondContact O-N 3.34Å; E63-K66 PolarHBondContact O-N 3.22Å; L64-K66 PolarHBondContact O-N 2.94Å; K66-R70 WeakPolarHBondContact O-CG 3.24Å; K66-R70 PolarHBondContact O-N 2.9Å; K66-R70 PolarHBondContact O-NH1 3.43Å; K66-R70 VanDerWaalsContact O-NH1 3.13Å
67	K	92.8	Very high	93	Very high	110 Å²	110	102.3 Å²	102.3	48%	0.478	52%	0.521	S	S	.	.	H	α-helix	trans	-70.1	-46.2	176	-175	178.6	176.5	-176.1	0	110.9	E63 L64 N65 E69 R70 D71	E63-K67 WeakPolarHBondContact O-CB 3.4Å; E63-K67 PolarHBondContact O-N 3.39Å; L64-K67 PolarHBondContact O-N 3.49Å; N65-K67 VanDerWaalsContact C-N 3.31Å; N65-K67 PolarHBondContact O-N 3.38Å; K67-E69 PolarHBondContact O-N 3.07Å; K67-R70 PolarHBondContact O-N 3.47Å; K67-R70 VanDerWaalsContact O-N 3.16Å; K67-D71 VanDerWaalsContact O-CG 3.32Å; K67-D71 PolarHBondContact O-N 3.5Å
68	Q	94.3	Very high	93.2	Very high	134 Å²	134	101.6 Å²	101.6	63%	0.626	51%	0.514	S	S	*	.	H	α-helix	trans	-55.1	-41.3	175.4	-178	174.2	7	0	0	111.5	L64 N65 D71 W72	L64-Q68 WeakPolarHBondContact O-CB 3.37Å; L64-Q68 PolarHBondContact O-N 3.13Å; N65-Q68 PolarHBondContact O-N 3.05Å; Q68-D71 PolarHBondContact O-N 2.92Å; Q68-W72 VanDerWaalsContact O-CB 3.24Å; Q68-W72 WeakPolarHBondContact O-CB 3.48Å; Q68-W72 PolarHBondContact O-N 3.3Å
69	E	93.3	Very high	93.5	Very high	127 Å²	127	101.3 Å²	101.3	59%	0.593	51%	0.509	S	S	*	.	H	α-helix	trans	-68.3	-38.5	179.7	-161	156.9	-159.7	0	0	112.8	N65 K67 V73	N65-E69 WeakPolarHBondContact O-CB 3.37Å; N65-E69 PolarHBondContact O-N 3.32Å; K67-E69 PolarHBondContact O-N 3.07Å; E69-V73 WeakPolarHBondContact O-CG2 3.33Å; E69-V73 PolarHBondContact O-N 3.37Å; E69-V73 VanDerWaalsContact O-N 3.16Å
70	R	91.6	Very high	93.6	Very high	154 Å²	154	104.4 Å²	104.4	58%	0.581	52%	0.519	S	S	*	.	H	α-helix	trans	-67.5	-45.5	173.6	-71.2	-170.5	-58.4	-86.1	3.8	112.5	K66 K67 W72 V73 S74	K66-R70 WeakPolarHBondContact O-CG 3.24Å; K66-R70 PolarHBondContact O-N 2.9Å; K66-R70 PolarHBondContact O-NH1 3.43Å; K66-R70 VanDerWaalsContact O-NH1 3.13Å; K67-R70 PolarHBondContact O-N 3.47Å; K67-R70 VanDerWaalsContact O-N 3.16Å; R70-W72 VanDerWaalsContact C-N 3.26Å; R70-W72 PolarHBondContact O-N 3.01Å; R70-V73 PolarHBondContact O-N 2.96Å; R70-S74 PolarHBondContact O-N 3.24Å; R70-S74 VanDerWaalsContact O-N 3.13Å
71	D	94.7	Very high	93.7	Very high	87 Å²	87	106 Å²	106	47%	0.465	52%	0.524	S	S	.	.	H	α-helix	trans	-63.1	-38.7	179.4	-67.5	-12.4	0	0	0	109.8	K67 Q68 S74 V75	K67-D71 VanDerWaalsContact O-CG 3.32Å; K67-D71 PolarHBondContact O-N 3.5Å; Q68-D71 PolarHBondContact O-N 2.92Å; D71-S74 PolarHBondContact O-N 3.16Å; D71-V75 WeakPolarHBondContact O-CG2 3.5Å; D71-V75 PolarHBondContact O-N 3.3Å
72	W	92.7	Very high	93.8	Very high	174 Å²	174	105.7 Å²	105.7	66%	0.659	52%	0.522	S	S	*	.	H	α-helix	trans	-62.2	-45.3	175.6	-169.6	-115.2	0	0	0	112.9	Q68 R70 S74 V75 V76	Q68-W72 VanDerWaalsContact O-CB 3.24Å; Q68-W72 WeakPolarHBondContact O-CB 3.48Å; Q68-W72 PolarHBondContact O-N 3.3Å; R70-W72 VanDerWaalsContact C-N 3.26Å; R70-W72 PolarHBondContact O-N 3.01Å; W72-S74 VanDerWaalsContact C-N 3.31Å; W72-S74 PolarHBondContact O-N 3.2Å; W72-V75 PolarHBondContact O-N 3.13Å; W72-V76 WeakPolarHBondContact O-CG2 3.47Å; W72-V76 PolarHBondContact O-N 3.3Å
73	V	94.1	Very high	93.9	Very high	83 Å²	83	108 Å²	108	50%	0.503	53%	0.526	S	S	.	.	H	α-helix	trans	-60.7	-41.2	176.5	171.5	0	0	0	0	111.4	E69 R70 V75 V76 M77	E69-V73 WeakPolarHBondContact O-CG2 3.33Å; E69-V73 PolarHBondContact O-N 3.37Å; E69-V73 VanDerWaalsContact O-N 3.16Å; R70-V73 PolarHBondContact O-N 2.96Å; V73-V75 PolarHBondContact O-N 3.05Å; V73-V76 PolarHBondContact O-N 3.16Å; V73-M77 HydrophobicContact CG1-SD 4.38Å; V73-M77 PolarHBondContact O-N 3.5Å
74	S	95.1	Very high	94	Very high	58 Å²	58	105.6 Å²	105.6	41%	0.406	52%	0.523	S	S	.	.	H	α-helix	trans	-62.2	-43.1	176.7	-175.2	0	0	0	0	112.2	R70 D71 W72 M77 Q78	R70-S74 PolarHBondContact O-N 3.24Å; R70-S74 VanDerWaalsContact O-N 3.13Å; D71-S74 PolarHBondContact O-N 3.16Å; W72-S74 VanDerWaalsContact C-N 3.31Å; W72-S74 PolarHBondContact O-N 3.2Å; S74-M77 PolarHBondContact O-N 3.47Å; S74-Q78 WeakPolarHBondContact O-CG 3.44Å; S74-Q78 PolarHBondContact O-N 3.41Å
75	V	95.6	Very high	94.1	Very high	66 Å²	66	104.3 Å²	104.3	40%	0.4	52%	0.517	S	S	.	.	H	α-helix	trans	-65	-43.5	177.7	172.1	0	0	0	0	110.8	D71 W72 V73 M77 Q78 V79	D71-V75 WeakPolarHBondContact O-CG2 3.5Å; D71-V75 PolarHBondContact O-N 3.3Å; W72-V75 PolarHBondContact O-N 3.13Å; V73-V75 PolarHBondContact O-N 3.05Å; V75-M77 VanDerWaalsContact C-N 3.34Å; V75-M77 PolarHBondContact O-N 2.96Å; V75-Q78 PolarHBondContact O-N 3.49Å; V75-V79 HydrophobicContact CG1-CG2 4.4Å; V75-V79 WeakPolarHBondContact O-CG2 3.36Å; V75-V79 PolarHBondContact O-N 3.41Å
76	V	96.1	Very high	94.2	Very high	59 Å²	59	102.7 Å²	102.7	36%	0.358	51%	0.513	S	S	.	.	H	α-helix	trans	-61	-41.9	178.3	171.3	0	0	0	0	111.6	W72 V73 Q78 V79 M80	W72-V76 WeakPolarHBondContact O-CG2 3.47Å; W72-V76 PolarHBondContact O-N 3.3Å; V73-V76 PolarHBondContact O-N 3.16Å; V76-Q78 PolarHBondContact O-N 3.23Å; V76-V79 PolarHBondContact O-N 2.98Å; V76-M80 WeakPolarHBondContact O-CG 3.31Å; V76-M80 PolarHBondContact O-N 3.3Å
77	M	93.3	Very high	94.3	Very high	124 Å²	124	103.8 Å²	103.8	61%	0.611	52%	0.517	S	S	*	.	H	α-helix	trans	-61.9	-42.5	176.1	-77.2	175.6	39.4	0	0	112.7	V73 S74 V75 V79 M80 E81	V73-M77 HydrophobicContact CG1-SD 4.38Å; V73-M77 PolarHBondContact O-N 3.5Å; S74-M77 PolarHBondContact O-N 3.47Å; V75-M77 VanDerWaalsContact C-N 3.34Å; V75-M77 PolarHBondContact O-N 2.96Å; M77-V79 VanDerWaalsContact C-N 3.35Å; M77-M80 PolarHBondContact O-N 2.95Å; M77-E81 PolarHBondContact O-N 3.36Å; M77-E81 VanDerWaalsContact O-N 3.09Å
78	Q	94.9	Very high	94.4	Very high	113 Å²	113	106.8 Å²	106.8	53%	0.528	53%	0.526	S	S	.	.	H	α-helix	trans	-64.6	-39.4	176.3	-71.7	176.2	-1.7	0	0	111.9	S74 V75 V76 E81 L82	S74-Q78 WeakPolarHBondContact O-CG 3.44Å; S74-Q78 PolarHBondContact O-N 3.41Å; V75-Q78 PolarHBondContact O-N 3.49Å; V76-Q78 PolarHBondContact O-N 3.23Å; Q78-E81 PolarHBondContact O-N 3.34Å; Q78-L82 WeakPolarHBondContact O-CB 3.48Å; Q78-L82 VanDerWaalsContact O-CG 3.31Å; Q78-L82 WeakPolarHBondContact O-CG 3.47Å; Q78-L82 PolarHBondContact O-N 3.09Å
79	V	95.6	Very high	94.4	Very high	66 Å²	66	107 Å²	107	40%	0.4	53%	0.528	S	S	.	.	H	α-helix	trans	-62.1	-44.5	175.4	171.5	0	0	0	0	110.7	V75 V76 M77 E81 L82 E83	V75-V79 HydrophobicContact CG1-CG2 4.4Å; V75-V79 WeakPolarHBondContact O-CG2 3.36Å; V75-V79 PolarHBondContact O-N 3.41Å; V76-V79 PolarHBondContact O-N 2.98Å; M77-V79 VanDerWaalsContact C-N 3.35Å; V79-E81 VanDerWaalsContact C-N 3.34Å; V79-E81 PolarHBondContact O-N 3.42Å; V79-L82 PolarHBondContact O-N 2.81Å; V79-E83 HydrophobicContact CG1-CG 4.39Å; V79-E83 WeakPolarHBondContact O-CB 3.44Å; V79-E83 WeakPolarHBondContact O-CG 3.34Å; V79-E83 PolarHBondContact O-N 3.3Å
80	M	92.8	Very high	94.5	Very high	127 Å²	127	106.6 Å²	106.6	63%	0.626	53%	0.526	S	S	*	.	H	α-helix	trans	-61.5	-39.7	177.2	-74.5	-176.6	143.9	0	0	112.9	V76 M77 S84	V76-M80 WeakPolarHBondContact O-CG 3.31Å; V76-M80 PolarHBondContact O-N 3.3Å; M77-M80 PolarHBondContact O-N 2.95Å; M80-S84 PolarHBondContact O-N 3.49Å; M80-S84 VanDerWaalsContact O-N 3.08Å
81	E	95.6	Very high	94.6	Very high	128 Å²	128	102.3 Å²	102.3	60%	0.598	52%	0.52	S	S	*	.	H	α-helix	trans	-67.5	-43.2	176.1	-174.3	172.4	-172.6	0	0	111.9	M77 Q78 V79 E83 S84 N85	M77-E81 PolarHBondContact O-N 3.36Å; M77-E81 VanDerWaalsContact O-N 3.09Å; Q78-E81 PolarHBondContact O-N 3.34Å; V79-E81 VanDerWaalsContact C-N 3.34Å; V79-E81 PolarHBondContact O-N 3.42Å; E81-E83 PolarHBondContact O-N 2.97Å; E81-S84 WeakPolarHBondContact O-CB 3.41Å; E81-S84 PolarHBondContact O-N 3.28Å; E81-N85 PolarHBondContact O-N 3.5Å; E81-N85 PolarHBondContact O-ND2 3.28Å
82	L	95.1	Very high	94.6	Very high	117 Å²	117	107.2 Å²	107.2	61%	0.613	53%	0.532	S	S	*	.	H	α-helix	trans	-62.1	-41.7	175.2	-74.5	169	0	0	0	112	Q78 V79 S84 N85 S86	Q78-L82 WeakPolarHBondContact O-CB 3.48Å; Q78-L82 VanDerWaalsContact O-CG 3.31Å; Q78-L82 WeakPolarHBondContact O-CG 3.47Å; Q78-L82 PolarHBondContact O-N 3.09Å; V79-L82 PolarHBondContact O-N 2.81Å; L82-S84 VanDerWaalsContact C-N 3.34Å; L82-S84 PolarHBondContact O-N 3.36Å; L82-N85 PolarHBondContact O-N 2.86Å; L82-S86 WeakPolarHBondContact O-CB 3.37Å; L82-S86 PolarHBondContact O-N 3.41Å
83	E	94.5	Very high	94.7	Very high	108 Å²	108	103.7 Å²	103.7	51%	0.505	53%	0.525	S	S	.	.	H	α-helix	trans	-61.9	-41.8	175.2	-78.1	-179.3	178.1	0	0	111.9	V79 E81 S86 K87	V79-E83 HydrophobicContact CG1-CG 4.39Å; V79-E83 WeakPolarHBondContact O-CB 3.44Å; V79-E83 WeakPolarHBondContact O-CG 3.34Å; V79-E83 PolarHBondContact O-N 3.3Å; E81-E83 PolarHBondContact O-N 2.97Å; E83-S86 PolarHBondContact O-N 3.48Å; E83-K87 WeakPolarHBondContact O-CG 3.45Å; E83-K87 PolarHBondContact O-N 3.05Å
84	S	95.2	Very high	94.7	Very high	71 Å²	71	103.3 Å²	103.3	50%	0.497	52%	0.523	S	S	.	.	H	α-helix	trans	-62.2	-44.5	175.7	-167.8	0	0	0	0	111.7	M80 E81 L82 K87 R88	M80-S84 PolarHBondContact O-N 3.49Å; M80-S84 VanDerWaalsContact O-N 3.08Å; E81-S84 WeakPolarHBondContact O-CB 3.41Å; E81-S84 PolarHBondContact O-N 3.28Å; L82-S84 VanDerWaalsContact C-N 3.34Å; L82-S84 PolarHBondContact O-N 3.36Å; S84-K87 PolarHBondContact O-N 3.08Å; S84-R88 PolarHBondContact O-N 2.94Å; S84-R88 VanDerWaalsContact O-N 3.07Å
85	N	94.8	Very high	94.7	Very high	72 Å²	72	104.9 Å²	104.9	39%	0.385	53%	0.527	S	S	.	.	H	α-helix	trans	-65.8	-38.7	176.7	-74.1	-27.1	0	0	0	112.3	E81 L82 R88 M89	E81-N85 PolarHBondContact O-N 3.5Å; E81-N85 PolarHBondContact O-ND2 3.28Å; L82-N85 PolarHBondContact O-N 2.86Å; N85-R88 PolarHBondContact O-N 3.32Å; N85-M89 WeakPolarHBondContact O-CB 3.47Å; N85-M89 PolarHBondContact O-N 3.36Å
86	S	93.8	Very high	94.5	Very high	58 Å²	58	104.3 Å²	104.3	41%	0.406	53%	0.53	S	S	.	.	H	α-helix	trans	-60.1	-48.8	175.4	-165.3	0	0	0	0	111	L82 E83 R88 M89 E90	L82-S86 WeakPolarHBondContact O-CB 3.37Å; L82-S86 PolarHBondContact O-N 3.41Å; E83-S86 PolarHBondContact O-N 3.48Å; S86-R88 VanDerWaalsContact C-N 3.32Å; S86-R88 PolarHBondContact O-N 3.07Å; S86-M89 WeakPolarHBondContact O-CB 3.49Å; S86-M89 PolarHBondContact O-N 3.43Å; S86-E90 WeakPolarHBondContact O-CG 3.45Å; S86-E90 PolarHBondContact O-N 2.98Å
87	K	95.4	Very high	94.3	Very high	143 Å²	143	107 Å²	107	62%	0.622	54%	0.538	S	S	*	.	H	α-helix	trans	-60.4	-40.5	177	-73.9	177.9	-179.9	175.3	0	112.6	E83 S84 M89 E90 S91	E83-K87 WeakPolarHBondContact O-CG 3.45Å; E83-K87 PolarHBondContact O-N 3.05Å; S84-K87 PolarHBondContact O-N 3.08Å; K87-M89 VanDerWaalsContact C-N 3.3Å; K87-M89 PolarHBondContact O-N 3.49Å; K87-E90 PolarHBondContact O-N 3.02Å; K87-S91 PolarHBondContact O-N 3.24Å; K87-S91 VanDerWaalsContact O-N 3.11Å
88	R	94.9	Very high	94.2	Very high	174 Å²	174	104.9 Å²	104.9	66%	0.657	54%	0.536	S	S	*	.	H	α-helix	trans	-64.2	-37.6	175.2	-176.7	178.8	-75.5	-179.4	-2.9	111.5	S84 N85 S86 R92	S84-R88 PolarHBondContact O-N 2.94Å; S84-R88 VanDerWaalsContact O-N 3.07Å; N85-R88 PolarHBondContact O-N 3.32Å; S86-R88 VanDerWaalsContact C-N 3.32Å; S86-R88 PolarHBondContact O-N 3.07Å; R88-R92 WeakPolarHBondContact O-CG 3.4Å; R88-R92 PolarHBondContact O-N 2.87Å
89	M	93.3	Very high	94	Very high	139 Å²	139	106.6 Å²	106.6	69%	0.685	54%	0.542	S	S	*	.	H	α-helix	trans	-70.3	-41.6	179	-163.5	168.3	-62.7	0	0	111.9	N85 S86 K87 S91 R92 L93	N85-M89 WeakPolarHBondContact O-CB 3.47Å; N85-M89 PolarHBondContact O-N 3.36Å; S86-M89 WeakPolarHBondContact O-CB 3.49Å; S86-M89 PolarHBondContact O-N 3.43Å; K87-M89 VanDerWaalsContact C-N 3.3Å; K87-M89 PolarHBondContact O-N 3.49Å; M89-S91 PolarHBondContact O-N 2.9Å; M89-R92 PolarHBondContact O-N 3.2Å; M89-L93 PolarHBondContact O-N 3.48Å
90	E	94.8	Very high	93.6	Very high	117 Å²	117	110.6 Å²	110.6	55%	0.547	55%	0.55	S	S	.	*	H	α-helix	trans	-58	-46.6	173.8	-75.1	170.8	-170.8	0	0	111.7	S86 K87 R92 L93 T94	S86-E90 WeakPolarHBondContact O-CG 3.45Å; S86-E90 PolarHBondContact O-N 2.98Å; K87-E90 PolarHBondContact O-N 3.02Å; E90-R92 VanDerWaalsContact C-N 3.29Å; E90-R92 PolarHBondContact O-N 2.98Å; E90-L93 WeakPolarHBondContact O-CB 3.39Å; E90-L93 PolarHBondContact O-N 3.1Å; E90-L93 VanDerWaalsContact O-N 3.08Å; E90-T94 PolarHBondContact O-N 3.44Å; E90-T94 PolarHBondContact O-OG1 3.08Å
91	S	95.1	Very high	93.3	Very high	64 Å²	64	107.5 Å²	107.5	45%	0.448	54%	0.541	S	S	.	.	H	α-helix	trans	-60.8	-36.8	176.5	171.7	0	0	0	0	113	K87 M89 L93 T94 D95	K87-S91 PolarHBondContact O-N 3.24Å; K87-S91 VanDerWaalsContact O-N 3.11Å; M89-S91 PolarHBondContact O-N 2.9Å; S91-L93 VanDerWaalsContact C-N 3.34Å; S91-T94 WeakPolarHBondContact CA-OG1 3.42Å; S91-T94 PolarHBondContact O-OG1 3.33Å; S91-D95 PolarHBondContact O-N 3.18Å
92	R	95.1	Very high	93	Very high	190 Å²	190	106.4 Å²	106.4	72%	0.717	54%	0.536	S	S	*	.	H	α-helix	trans	-70.6	-33.1	176.1	-70	178.7	72.5	-173	3	112	R88 M89 E90 A96	R88-R92 WeakPolarHBondContact O-CG 3.4Å; R88-R92 PolarHBondContact O-N 2.87Å; M89-R92 PolarHBondContact O-N 3.2Å; E90-R92 VanDerWaalsContact C-N 3.29Å; E90-R92 PolarHBondContact O-N 2.98Å; R92-A96 WeakPolarHBondContact O-CB 3.5Å; R92-A96 PolarHBondContact O-N 2.87Å; R92-A96 VanDerWaalsContact O-N 3.08Å
93	L	94.3	Very high	92.1	Very high	100 Å²	100	106.1 Å²	106.1	52%	0.524	53%	0.533	S	S	.	.	H	α-helix	trans	-67.6	-46.7	176.9	-175	64.3	0	0	0	110.5	M89 E90 S91 D95 A96 E97	M89-L93 PolarHBondContact O-N 3.48Å; E90-L93 WeakPolarHBondContact O-CB 3.39Å; E90-L93 PolarHBondContact O-N 3.1Å; E90-L93 VanDerWaalsContact O-N 3.08Å; S91-L93 VanDerWaalsContact C-N 3.34Å; L93-D95 VanDerWaalsContact C-N 3.3Å; L93-D95 PolarHBondContact O-N 3.35Å; L93-A96 PolarHBondContact O-N 3.08Å; L93-A96 VanDerWaalsContact O-N 3.1Å; L93-E97 WeakPolarHBondContact O-CG 3.42Å; L93-E97 PolarHBondContact O-N 3.11Å
94	T	93.6	Very high	91.1	Very high	75 Å²	75	103.9 Å²	103.9	46%	0.46	53%	0.525	S	S	.	.	H	α-helix	trans	-60.9	-39	177.7	54.9	0	0	0	0	112.2	E90 S91 E97 S98	E90-T94 PolarHBondContact O-N 3.44Å; E90-T94 PolarHBondContact O-OG1 3.08Å; S91-T94 WeakPolarHBondContact CA-OG1 3.42Å; S91-T94 PolarHBondContact O-OG1 3.33Å; T94-E97 PolarHBondContact O-N 2.87Å; T94-S98 WeakPolarHBondContact O-CB 3.47Å; T94-S98 PolarHBondContact O-N 3.29Å
95	D	95.1	Very high	90.4	Very high	91 Å²	91	104.3 Å²	104.3	49%	0.487	52%	0.521	S	S	.	.	H	α-helix	trans	-66.4	-37.9	175.7	-75.8	-2	0	0	0	112.2	S91 L93 K99	S91-D95 PolarHBondContact O-N 3.18Å; L93-D95 VanDerWaalsContact C-N 3.3Å; L93-D95 PolarHBondContact O-N 3.35Å; D95-K99 WeakPolarHBondContact O-CG 3.37Å; D95-K99 PolarHBondContact O-N 3.1Å; D95-K99 VanDerWaalsContact O-N 3.1Å
96	A	92	Very high	89.7	Confident	55 Å²	55	105.8 Å²	105.8	46%	0.455	53%	0.526	S	S	.	.	H	α-helix	trans	-69.7	-42.2	177.3	0	0	0	0	0	111.7	R92 L93 K99 Y100	R92-A96 WeakPolarHBondContact O-CB 3.5Å; R92-A96 PolarHBondContact O-N 2.87Å; R92-A96 VanDerWaalsContact O-N 3.08Å; L93-A96 PolarHBondContact O-N 3.08Å; L93-A96 VanDerWaalsContact O-N 3.1Å; A96-K99 PolarHBondContact O-N 2.89Å; A96-Y100 WeakPolarHBondContact O-CB 3.4Å; A96-Y100 PolarHBondContact O-N 3.33Å
97	E	90.6	Very high	88.7	Confident	115 Å²	115	106.1 Å²	106.1	54%	0.537	52%	0.523	S	S	.	.	H	α-helix	trans	-61.7	-42.9	175	-73.4	176.3	164.9	0	0	111.5	L93 T94 Y100 S101	L93-E97 WeakPolarHBondContact O-CG 3.42Å; L93-E97 PolarHBondContact O-N 3.11Å; T94-E97 PolarHBondContact O-N 2.87Å; E97-Y100 PolarHBondContact O-N 2.88Å; E97-S101 WeakPolarHBondContact O-CB 3.38Å; E97-S101 PolarHBondContact O-N 2.97Å
98	S	92.3	Very high	87.7	Confident	80 Å²	80	103.2 Å²	103.2	56%	0.559	51%	0.514	S	S	*	.	H	α-helix	trans	-61.2	-46.5	175.4	175.5	0	0	0	0	111.9	T94 Y100 S101 E102	T94-S98 WeakPolarHBondContact O-CB 3.47Å; T94-S98 PolarHBondContact O-N 3.29Å; S98-Y100 VanDerWaalsContact C-N 3.34Å; S98-Y100 PolarHBondContact O-N 3.47Å; S98-S101 PolarHBondContact O-N 3.49Å; S98-E102 PolarHBondContact O-N 2.88Å
99	K	91.4	Very high	86.9	Confident	149 Å²	149	99.3 Å²	99.3	65%	0.648	51%	0.505	S	S	*	.	H	α-helix	trans	-65	-36.5	176.8	-74.2	175.2	-176.9	175.7	0	112.9	D95 A96 M103	D95-K99 WeakPolarHBondContact O-CG 3.37Å; D95-K99 PolarHBondContact O-N 3.1Å; D95-K99 VanDerWaalsContact O-N 3.1Å; A96-K99 PolarHBondContact O-N 2.89Å; K99-M103 WeakPolarHBondContact O-CB 3.35Å; K99-M103 PolarHBondContact O-N 3.35Å
100	Y	85.3	Confident	85.8	Confident	149 Å²	149	98.7 Å²	98.7	58%	0.584	50%	0.502	S	S	*	.	H	α-helix	trans	-66.8	-43.6	176.1	-177.4	-94.6	0	0	0	111.3	A96 E97 S98 M103 N104	A96-Y100 WeakPolarHBondContact O-CB 3.4Å; A96-Y100 PolarHBondContact O-N 3.33Å; E97-Y100 PolarHBondContact O-N 2.88Å; S98-Y100 VanDerWaalsContact C-N 3.34Å; S98-Y100 PolarHBondContact O-N 3.47Å; Y100-M103 PolarHBondContact O-N 2.98Å; Y100-N104 WeakPolarHBondContact O-CB 3.43Å; Y100-N104 PolarHBondContact O-N 3.35Å
101	S	86.9	Confident	84.5	Confident	63 Å²	63	98.8 Å²	98.8	44%	0.441	50%	0.502	S	S	.	.	H	α-helix	trans	-60.4	-44.8	175	-172.9	0	0	0	0	111.8	E97 S98 M103 N104 N105	E97-S101 WeakPolarHBondContact O-CB 3.38Å; E97-S101 PolarHBondContact O-N 2.97Å; S98-S101 PolarHBondContact O-N 3.49Å; S101-M103 PolarHBondContact O-N 2.97Å; S101-N104 PolarHBondContact O-N 3.41Å; S101-N105 VanDerWaalsContact O-CG 3.26Å; S101-N105 PolarHBondContact O-N 3.34Å; S101-N105 PolarHBondContact O-ND2 3.22Å
102	E	89.3	Confident	83.2	Confident	105 Å²	105	100.9 Å²	100.9	49%	0.491	51%	0.508	S	S	.	.	H	α-helix	trans	-60.9	-44.8	175.4	-174.7	61.5	-154.5	0	0	111.9	S98 N105 Q106	S98-E102 PolarHBondContact O-N 2.88Å; E102-N105 PolarHBondContact O-N 3.32Å; E102-Q106 WeakPolarHBondContact O-CG 3.25Å; E102-Q106 PolarHBondContact O-N 3.48Å; E102-Q106 PolarHBondContact OE1-NE2 2.84Å; E102-Q106 VanDerWaalsContact OE1-NE2 3.15Å
103	M	76.6	Confident	82.1	Confident	110 Å²	110	97 Å²	97	54%	0.542	50%	0.498	S	S	.	.	H	α-helix	trans	-64.7	-41	177.6	-169.2	-177.9	-57	0	0	112.1	K99 Y100 S101 Q106 I107	K99-M103 WeakPolarHBondContact O-CB 3.35Å; K99-M103 PolarHBondContact O-N 3.35Å; Y100-M103 PolarHBondContact O-N 2.98Å; S101-M103 PolarHBondContact O-N 2.97Å; M103-Q106 PolarHBondContact O-N 3.36Å; M103-I107 HydrophobicContact CG-CD1 4.05Å; M103-I107 WeakPolarHBondContact O-CB 3.36Å; M103-I107 VanDerWaalsContact O-CG1 3.25Å; M103-I107 WeakPolarHBondContact O-CG1 3.4Å; M103-I107 PolarHBondContact O-N 3.42Å
104	N	74.1	Confident	80.7	Confident	62 Å²	62	94.7 Å²	94.7	33%	0.332	49%	0.493	S	S	.	.	H	α-helix	trans	-63.2	-43.9	175.2	-99.4	18.5	0	0	0	111.6	Y100 S101 Q106 I107 D108	Y100-N104 WeakPolarHBondContact O-CB 3.43Å; Y100-N104 PolarHBondContact O-N 3.35Å; S101-N104 PolarHBondContact O-N 3.41Å; N104-Q106 VanDerWaalsContact C-N 3.31Å; N104-Q106 PolarHBondContact O-N 2.98Å; N104-I107 PolarHBondContact O-N 3.48Å; N104-D108 WeakPolarHBondContact O-CB 3.24Å; N104-D108 PolarHBondContact O-N 3.25Å
105	N	79.8	Confident	79	Confident	79 Å²	79	93.7 Å²	93.7	42%	0.422	49%	0.492	S	S	.	.	H	α-helix	trans	-62	-40	175.9	-69.5	-28.3	0	0	0	111.7	S101 E102 D108 I109	S101-N105 VanDerWaalsContact O-CG 3.26Å; S101-N105 PolarHBondContact O-N 3.34Å; S101-N105 PolarHBondContact O-ND2 3.22Å; E102-N105 PolarHBondContact O-N 3.32Å; N105-D108 PolarHBondContact O-N 3.15Å; N105-I109 WeakPolarHBondContact O-CB 3.48Å; N105-I109 WeakPolarHBondContact O-CD1 3.49Å; N105-I109 VanDerWaalsContact O-CG1 3.23Å; N105-I109 WeakPolarHBondContact O-CG1 3.19Å; N105-I109 PolarHBondContact O-N 2.8Å
106	Q	80.8	Confident	77.3	Confident	104 Å²	104	95 Å²	95	49%	0.486	50%	0.496	S	S	.	.	H	α-helix	trans	-66.3	-39.8	175.3	-72.7	-179.8	9.8	0	0	112.3	E102 M103 N104 I109 M110	E102-Q106 WeakPolarHBondContact O-CG 3.25Å; E102-Q106 PolarHBondContact O-N 3.48Å; E102-Q106 PolarHBondContact OE1-NE2 2.84Å; E102-Q106 VanDerWaalsContact OE1-NE2 3.15Å; M103-Q106 PolarHBondContact O-N 3.36Å; N104-Q106 VanDerWaalsContact C-N 3.31Å; N104-Q106 PolarHBondContact O-N 2.98Å; Q106-I109 PolarHBondContact O-N 2.77Å; Q106-M110 WeakPolarHBondContact O-CB 3.34Å; Q106-M110 VanDerWaalsContact O-CG 3.27Å; Q106-M110 WeakPolarHBondContact O-CG 3.27Å; Q106-M110 PolarHBondContact O-N 2.84Å
107	I	72.1	Confident	75.4	Confident	65 Å²	65	96.5 Å²	96.5	33%	0.333	50%	0.499	S	S	.	.	H	α-helix	trans	-64	-43.8	174.4	-71	165.8	0	0	0	110.4	M103 N104 I109 M110 Q111	M103-I107 HydrophobicContact CG-CD1 4.05Å; M103-I107 WeakPolarHBondContact O-CB 3.36Å; M103-I107 VanDerWaalsContact O-CG1 3.25Å; M103-I107 WeakPolarHBondContact O-CG1 3.4Å; M103-I107 PolarHBondContact O-N 3.42Å; N104-I107 PolarHBondContact O-N 3.48Å; I107-I109 PolarHBondContact O-N 2.74Å; I107-M110 CarbonylContact O-C 3.54Å; I107-M110 PolarHBondContact O-N 3.26Å; I107-Q111 HydrophobicContact CG2-CG 4.18Å; I107-Q111 VanDerWaalsContact O-CB 3.31Å; I107-Q111 WeakPolarHBondContact O-CB 3.46Å; I107-Q111 VanDerWaalsContact O-CG 3.24Å; I107-Q111 WeakPolarHBondContact O-CG 3.41Å; I107-Q111 PolarHBondContact O-N 2.95Å
108	D	73.6	Confident	73.5	Confident	81 Å²	81	95.1 Å²	95.1	43%	0.433	50%	0.498	S	S	.	.	H	α-helix	trans	-63.3	-41.6	177.9	-73.8	-15.6	0	0	0	111.3	N104 N105 Q111 L112	N104-D108 WeakPolarHBondContact O-CB 3.24Å; N104-D108 PolarHBondContact O-N 3.25Å; N105-D108 PolarHBondContact O-N 3.15Å; D108-Q111 PolarHBondContact O-N 2.9Å; D108-L112 WeakPolarHBondContact O-CB 3.19Å; D108-L112 WeakPolarHBondContact O-CD1 3.49Å; D108-L112 VanDerWaalsContact O-CG 3.27Å; D108-L112 WeakPolarHBondContact O-CG 3.31Å; D108-L112 PolarHBondContact O-N 3.01Å
109	I	78.9	Confident	71.1	Confident	93 Å²	93	95.3 Å²	95.3	48%	0.477	50%	0.496	S	S	.	.	H	α-helix	trans	-64.4	-45.2	174	-68.8	165.7	0	0	0	110.7	N105 Q106 I107 Q111 L112 Q113	N105-I109 WeakPolarHBondContact O-CB 3.48Å; N105-I109 WeakPolarHBondContact O-CD1 3.49Å; N105-I109 VanDerWaalsContact O-CG1 3.23Å; N105-I109 WeakPolarHBondContact O-CG1 3.19Å; N105-I109 PolarHBondContact O-N 2.8Å; Q106-I109 PolarHBondContact O-N 2.77Å; I107-I109 PolarHBondContact O-N 2.74Å; I109-Q111 VanDerWaalsContact C-N 3.33Å; I109-Q111 PolarHBondContact O-N 2.82Å; I109-L112 PolarHBondContact O-N 2.95Å; I109-Q113 HydrophobicContact CG2-CG 4.42Å; I109-Q113 WeakPolarHBondContact O-CB 3.36Å; I109-Q113 VanDerWaalsContact O-CG 3.25Å; I109-Q113 WeakPolarHBondContact O-CG 3.21Å; I109-Q113 PolarHBondContact O-N 2.88Å
110	M	69.7	Low	68.9	Low	126 Å²	126	94.9 Å²	94.9	62%	0.621	50%	0.497	S	S	*	.	H	α-helix	trans	-63.8	-37.2	176.5	-77.8	178.2	64.9	0	0	112	Q106 I107 A114	Q106-M110 WeakPolarHBondContact O-CB 3.34Å; Q106-M110 VanDerWaalsContact O-CG 3.27Å; Q106-M110 WeakPolarHBondContact O-CG 3.27Å; Q106-M110 PolarHBondContact O-N 2.84Å; I107-M110 CarbonylContact O-C 3.54Å; I107-M110 PolarHBondContact O-N 3.26Å; M110-A114 WeakPolarHBondContact O-CB 3.21Å; M110-A114 PolarHBondContact O-N 3.44Å
111	Q	68	Low	67	Low	118 Å²	118	92.3 Å²	92.3	55%	0.551	50%	0.497	S	S	*	.	H	α-helix	trans	-69.9	-40.6	175.8	-77	-179.7	6.1	0	0	111.5	I107 D108 I109 A114 A115	I107-Q111 HydrophobicContact CG2-CG 4.18Å; I107-Q111 VanDerWaalsContact O-CB 3.31Å; I107-Q111 WeakPolarHBondContact O-CB 3.46Å; I107-Q111 VanDerWaalsContact O-CG 3.24Å; I107-Q111 WeakPolarHBondContact O-CG 3.41Å; I107-Q111 PolarHBondContact O-N 2.95Å; D108-Q111 PolarHBondContact O-N 2.9Å; I109-Q111 VanDerWaalsContact C-N 3.33Å; I109-Q111 PolarHBondContact O-N 2.82Å; Q111-A114 PolarHBondContact O-N 3.47Å; Q111-A115 WeakPolarHBondContact O-CB 3.32Å; Q111-A115 PolarHBondContact O-N 2.86Å
112	L	67.9	Low	65.1	Low	108 Å²	108	92.7 Å²	92.7	57%	0.565	50%	0.499	S	S	*	.	H	α-helix	trans	-63.2	-43.7	173	-78.3	164.3	0	0	0	111.1	D108 I109 A115 Q116	D108-L112 WeakPolarHBondContact O-CB 3.19Å; D108-L112 WeakPolarHBondContact O-CD1 3.49Å; D108-L112 VanDerWaalsContact O-CG 3.27Å; D108-L112 WeakPolarHBondContact O-CG 3.31Å; D108-L112 PolarHBondContact O-N 3.01Å; I109-L112 PolarHBondContact O-N 2.95Å; L112-A115 PolarHBondContact O-N 3.38Å; L112-Q116 WeakPolarHBondContact O-CB 3.32Å; L112-Q116 WeakPolarHBondContact O-CG 3.12Å; L112-Q116 PolarHBondContact O-N 2.95Å
113	Q	72.1	Confident	63	Low	109 Å²	109	89.4 Å²	89.4	51%	0.509	49%	0.49	S	S	.	.	H	α-helix	trans	-65.6	-40.6	175.2	-74.2	174.8	-15.4	0	0	112	I109 Q116 T117	I109-Q113 HydrophobicContact CG2-CG 4.42Å; I109-Q113 WeakPolarHBondContact O-CB 3.36Å; I109-Q113 VanDerWaalsContact O-CG 3.25Å; I109-Q113 WeakPolarHBondContact O-CG 3.21Å; I109-Q113 PolarHBondContact O-N 2.88Å; Q113-Q116 PolarHBondContact O-N 3.34Å; Q113-T117 VanDerWaalsContact O-CB 3.28Å; Q113-T117 WeakPolarHBondContact O-CB 3.27Å; Q113-T117 PolarHBondContact O-N 3.47Å; Q113-T117 PolarHBondContact O-OG1 3.38Å
114	A	63.8	Low	61.7	Low	52 Å²	52	90 Å²	90	43%	0.43	50%	0.495	S	S	.	.	H	α-helix	trans	-67.6	-42.3	176.5	0	0	0	0	0	111.4	M110 Q111 T117 V118	M110-A114 WeakPolarHBondContact O-CB 3.21Å; M110-A114 PolarHBondContact O-N 3.44Å; Q111-A114 PolarHBondContact O-N 3.47Å; A114-T117 PolarHBondContact O-N 2.79Å; A114-V118 WeakPolarHBondContact O-CB 3.49Å; A114-V118 WeakPolarHBondContact O-CG2 3.31Å; A114-V118 PolarHBondContact O-N 3.37Å
115	A	58.8	Low	61	Low	53 Å²	53	90 Å²	90	44%	0.438	50%	0.504	S	S	.	.	H	α-helix	trans	-61.9	-44.8	174.3	0	0	0	0	0	111	Q111 L112 T119	Q111-A115 WeakPolarHBondContact O-CB 3.32Å; Q111-A115 PolarHBondContact O-N 2.86Å; L112-A115 PolarHBondContact O-N 3.38Å; A115-T119 WeakPolarHBondContact O-CB 3.33Å; A115-T119 WeakPolarHBondContact O-CG2 3.23Å; A115-T119 PolarHBondContact O-N 2.84Å; A115-T119 PolarHBondContact O-OG1 2.87Å
116	Q	58.5	Low	60.6	Low	119 Å²	119	87.6 Å²	87.6	56%	0.556	49%	0.491	S	S	*	.	H	α-helix	trans	-62	-47.1	174.8	-75.3	174.3	-6.5	0	0	111.7	L112 Q113 V118 T119 Q120	L112-Q116 WeakPolarHBondContact O-CB 3.32Å; L112-Q116 WeakPolarHBondContact O-CG 3.12Å; L112-Q116 PolarHBondContact O-N 2.95Å; Q113-Q116 PolarHBondContact O-N 3.34Å; Q116-V118 PolarHBondContact O-N 2.95Å; Q116-T119 WeakPolarHBondContact CA-OG1 3.48Å; Q116-T119 PolarHBondContact O-N 3.41Å; Q116-T119 PolarHBondContact O-OG1 2.84Å; Q116-Q120 WeakPolarHBondContact O-CB 3.5Å; Q116-Q120 PolarHBondContact O-N 2.92Å
117	T	52	Low	60.8	Low	86 Å²	86	86 Å²	86	53%	0.528	48%	0.481	S	S	.	.	H	α-helix	trans	-65.7	-39.8	-179	-53.5	0	0	0	0	112.3	Q113 A114 T121	Q113-T117 VanDerWaalsContact O-CB 3.28Å; Q113-T117 WeakPolarHBondContact O-CB 3.27Å; Q113-T117 PolarHBondContact O-N 3.47Å; Q113-T117 PolarHBondContact O-OG1 3.38Å; A114-T117 PolarHBondContact O-N 2.79Å; T117-T121 WeakPolarHBondContact O-CB 3.4Å; T117-T121 PolarHBondContact O-N 3.4Å; T117-T121 VanDerWaalsContact O-N 3.13Å; T117-T121 PolarHBondContact O-OG1 3.22Å
118	V	51.2	Low	61.8	Low	86 Å²	86	83.1 Å²	83.1	52%	0.521	47%	0.466	S	S	.	.	H	α-helix	trans	-67.6	-45.7	174.2	172.2	0	0	0	0	110.3	A114 Q116 Q120 T121 S122	A114-V118 WeakPolarHBondContact O-CB 3.49Å; A114-V118 WeakPolarHBondContact O-CG2 3.31Å; A114-V118 PolarHBondContact O-N 3.37Å; Q116-V118 PolarHBondContact O-N 2.95Å; V118-Q120 VanDerWaalsContact C-N 3.29Å; V118-Q120 PolarHBondContact O-N 3.03Å; V118-T121 PolarHBondContact O-N 2.89Å; V118-T121 PolarHBondContact O-OG1 2.91Å; V118-S122 WeakPolarHBondContact O-CB 3.26Å; V118-S122 PolarHBondContact O-N 2.88Å; V118-S122 PolarHBondContact O-OG 3.42Å
119	T	42.7	Very low	62.8	Low	84 Å²	84	79.3 Å²	79.3	52%	0.515	45%	0.446	S	S	.	.	H	α-helix	trans	-61.8	-35.8	176.5	57.5	0	0	0	0	112.7	A115 Q116 A123	A115-T119 WeakPolarHBondContact O-CB 3.33Å; A115-T119 WeakPolarHBondContact O-CG2 3.23Å; A115-T119 PolarHBondContact O-N 2.84Å; A115-T119 PolarHBondContact O-OG1 2.87Å; Q116-T119 WeakPolarHBondContact CA-OG1 3.48Å; Q116-T119 PolarHBondContact O-N 3.41Å; Q116-T119 PolarHBondContact O-OG1 2.84Å; T119-A123 WeakPolarHBondContact O-CB 3.45Å; T119-A123 PolarHBondContact O-N 3.28Å
120	Q	45.5	Very low	63.6	Low	141 Å²	141	75.2 Å²	75.2	66%	0.659	43%	0.425	S	S	*	.	H	α-helix	trans	-75.4	-25.9	179.7	-153.9	102.6	42.7	0	0	113	Q116 V118	Q116-Q120 WeakPolarHBondContact O-CB 3.5Å; Q116-Q120 PolarHBondContact O-N 2.92Å; V118-Q120 VanDerWaalsContact C-N 3.29Å; V118-Q120 PolarHBondContact O-N 3.03Å
121	T	44.2	Very low	64.7	Low	95 Å²	95	70 Å²	70	58%	0.583	40%	0.402	S	S	*	.	H	α-helix	trans	-100.3	-25.6	-177.7	49.1	0	0	0	0	114	T117 V118 A125	T117-T121 WeakPolarHBondContact O-CB 3.4Å; T117-T121 PolarHBondContact O-N 3.4Å; T117-T121 VanDerWaalsContact O-N 3.13Å; T117-T121 PolarHBondContact O-OG1 3.22Å; V118-T121 PolarHBondContact O-N 2.89Å; V118-T121 PolarHBondContact O-OG1 2.91Å; T121-A125 WeakPolarHBondContact O-CB 3.41Å
122	S	47.1	Very low	65.9	Low	71 Å²	71	64.8 Å²	64.8	50%	0.497	38%	0.378	S	S	.	.	H	α-helix	trans	-101.8	-27	-179.1	75.1	0	0	0	0	114.3	V118	V118-S122 WeakPolarHBondContact O-CB 3.26Å; V118-S122 PolarHBondContact O-N 2.88Å; V118-S122 PolarHBondContact O-OG 3.42Å
123	A	46.1	Very low	67.2	Low	36 Å²	36	60.5 Å²	60.5	30%	0.298	35%	0.354	S	S	.	.	S	Bend	trans	-79.7	-23.6	-178.1	0	0	0	0	0	113.5	T119 F150	T119-A123 WeakPolarHBondContact O-CB 3.45Å; T119-A123 PolarHBondContact O-N 3.28Å; A123-F150 HydrophobicContact CB-CE1 4.42Å
124	D	49.1	Very low	68.2	Low	121 Å²	121	61.8 Å²	61.8	65%	0.647	36%	0.36	S	S	*	.	S	Bend	trans	-101.3	-11.3	179.8	-79.4	-22.2	0	0	0	113.8	I126	D124-I126 PolarHBondContact O-N 3.44Å
125	A	60.4	Low	69.5	Low	63 Å²	63	65 Å²	65	52%	0.521	36%	0.364	S	S	.	.			trans	-82.6	88.1	-179.1	0	0	0	0	0	111	T121 Y127	T121-A125 WeakPolarHBondContact O-CB 3.41Å; A125-Y127 PolarHBondContact O-N 2.62Å; A125-Y127 VanDerWaalsContact O-N 3.14Å
126	I	69.7	Low	71.1	Confident	28 Å²	28	68 Å²	68	14%	0.144	37%	0.373	C	S	.	.			trans	-63.6	116.2	169.8	-68.1	174.3	0	0	0	108.7	D124 D128 L210 R212 Q213	D124-I126 PolarHBondContact O-N 3.44Å; I126-D128 PolarHBondContact O-N 3.05Å; I126-L210 HydrophobicContact CG2-CD2 3.89Å; I126-R212 HydrophobicContact CD1-CB 4.05Å; I126-Q213 HydrophobicContact CD1-CB 3.91Å; I126-Q213 HydrophobicContact CD1-CG 3.72Å
127	Y	85.4	Confident	72.7	Confident	72 Å²	72	68.1 Å²	68.1	28%	0.282	37%	0.369	S	S	.	.			trans	-77.6	109.6	176	-148.3	-90.6	0	0	0	110	A125 L132 K135 L145 P146	A125-Y127 PolarHBondContact O-N 2.62Å; A125-Y127 VanDerWaalsContact O-N 3.14Å; Y127-L132 HydrophobicContact CE1-CD2 3.68Å; Y127-L132 HydrophobicContact CE1-CG 4.07Å; Y127-K135 PolarHBondContact OH-NZ 3.15Å; Y127-L145 HydrophobicContact CD1-CB 4.31Å; Y127-L145 HydrophobicContact CD1-CD2 3.75Å; Y127-L145 HydrophobicContact CE1-CD2 4.32Å; Y127-L145 WeakPolarHBondContact O-CD1 3.5Å; Y127-P146 HydrophobicContact CD1-CG 3.92Å; Y127-P146 HydrophobicContact CD2-CG 4.27Å; Y127-P146 HydrophobicContact CE1-CG 4.25Å; Y127-P146 HydrophobicContact CG-CG 3.91Å
128	D	92.5	Very high	74.7	Confident	4 Å²	4	69.2 Å²	69.2	2%	0.021	36%	0.364	C	S	.	.			trans	-137	-175.6	179.1	69.7	12.4	0	0	0	111.8	I126 S130 S131 L132 L210 Q213 P339	I126-D128 PolarHBondContact O-N 3.05Å; D128-S130 PolarHBondContact O-N 2.88Å; D128-S130 WeakPolarHBondContact OD1-CA 3.29Å; D128-S130 WeakPolarHBondContact OD1-CB 3.43Å; D128-S130 PolarHBondContact OD1-N 2.8Å; D128-S130 PolarHBondContact OD1-OG 3.27Å; D128-S130 PolarHBondContact OD2-OG 2.89Å; D128-S131 PolarHBondContact N-OG 2.66Å; D128-S131 PolarHBondContact O-N 3.42Å; D128-S131 PolarHBondContact O-OG 2.77Å; D128-S131 PolarHBondContact OD1-N 2.7Å; D128-L132 PolarHBondContact O-N 2.74Å; D128-L210 HydrophobicContact CB-CD2 4.07Å; D128-Q213 PolarHBondContact OD2-NE2 3.43Å; D128-P339 WeakPolarHBondContact OD2-CD 3.44Å; D128-P339 WeakPolarHBondContact OD2-CG 3.37Å
129	C	96	Very high	76.9	Confident	0 Å²	0	71.4 Å²	71.4	0%	0	37%	0.371	C	S	.	.	H	α-helix	trans	-62.2	-24	178.5	-65.6	0	0	0	0	114	L132 Y133 C160 M162 W169 T170	C129-L132 PolarHBondContact O-N 2.95Å; C129-Y133 WeakPolarHBondContact O-CB 3.35Å; C129-Y133 PolarHBondContact O-N 3.14Å; C129-C160 VanDerWaalsContact CA-SG 3.58Å; C129-C160 HydrophobicContact CB-CB 3.58Å; C129-C160 WeakPolarHBondContact CB-SG 3.42Å; C129-C160 WeakPolarHBondContact SG-CA 3.49Å; C129-C160 WeakPolarHBondContact SG-CB 3.38Å; C129-C160 CovalentContact SG-SG 2.03Å; C129-C160 PolarHBondContact SG-SG 2.84Å; C129-M162 HydrophobicContact CB-CE 4.43Å; C129-W169 WeakPolarHBondContact CB-O 3.43Å; C129-T170 VanDerWaalsContact CB-OG1 3.27Å; C129-T170 WeakPolarHBondContact CB-OG1 3.32Å; C129-T170 PolarHBondContact N-OG1 2.91Å; C129-T170 PolarHBondContact SG-OG1 2.03Å
130	S	95.4	Very high	79.5	Confident	7 Å²	7	68.9 Å²	68.9	5%	0.049	36%	0.357	C	S	.	.	H	α-helix	trans	-72.2	-38.6	177.4	86	0	0	0	0	111.2	D128 L132 Y133 Q134 G168 P339	D128-S130 PolarHBondContact O-N 2.88Å; D128-S130 WeakPolarHBondContact OD1-CA 3.29Å; D128-S130 WeakPolarHBondContact OD1-CB 3.43Å; D128-S130 PolarHBondContact OD1-N 2.8Å; D128-S130 PolarHBondContact OD1-OG 3.27Å; D128-S130 PolarHBondContact OD2-OG 2.89Å; S130-L132 VanDerWaalsContact C-N 3.34Å; S130-L132 PolarHBondContact O-N 3.03Å; S130-Y133 WeakPolarHBondContact O-CB 3.48Å; S130-Y133 PolarHBondContact O-N 2.89Å; S130-Q134 WeakPolarHBondContact O-CG 3.41Å; S130-Q134 PolarHBondContact O-N 3.24Å; S130-G168 PolarHBondContact N-O 2.66Å; S130-P339 WeakPolarHBondContact OG-CD 3.43Å; S130-P339 WeakPolarHBondContact OG-CG 3.45Å
131	S	93.1	Very high	82	Confident	17 Å²	17	63 Å²	63	12%	0.119	33%	0.333	C	S	.	.	H	α-helix	trans	-64.1	-38.3	173.5	77	0	0	0	0	112.1	D128 Q134 K135	D128-S131 PolarHBondContact N-OG 2.66Å; D128-S131 PolarHBondContact O-N 3.42Å; D128-S131 PolarHBondContact O-OG 2.77Å; D128-S131 PolarHBondContact OD1-N 2.7Å; S131-Q134 PolarHBondContact O-N 3.13Å; S131-K135 WeakPolarHBondContact O-CG 3.5Å; S131-K135 PolarHBondContact O-N 3.33Å
132	L	93.6	Very high	84.5	Confident	9 Å²	9	60.4 Å²	60.4	5%	0.047	32%	0.318	C	S	.	.	H	α-helix	trans	-65.1	-42.2	173.2	-69.5	174.1	0	0	0	111	Y127 D128 C129 S130 Q134 K135 N136 Y137 Y143 L145 M162	Y127-L132 HydrophobicContact CE1-CD2 3.68Å; Y127-L132 HydrophobicContact CE1-CG 4.07Å; D128-L132 PolarHBondContact O-N 2.74Å; C129-L132 PolarHBondContact O-N 2.95Å; S130-L132 VanDerWaalsContact C-N 3.34Å; S130-L132 PolarHBondContact O-N 3.03Å; L132-Q134 VanDerWaalsContact C-N 3.34Å; L132-Q134 PolarHBondContact O-N 3.47Å; L132-K135 CarbonylContact O-C 3.55Å; L132-K135 WeakPolarHBondContact O-CA 3.43Å; L132-K135 WeakPolarHBondContact O-CB 3.37Å; L132-K135 PolarHBondContact O-N 2.8Å; L132-N136 PolarHBondContact O-N 3.48Å; L132-Y137 HydrophobicContact CB-CD2 4.46Å; L132-Y137 HydrophobicContact CD2-CD2 4.29Å; L132-Y137 HydrophobicContact CD2-CE2 4.48Å; L132-Y137 WeakPolarHBondContact O-CB 3.25Å; L132-Y137 VanDerWaalsContact O-CD2 3.29Å; L132-Y137 WeakPolarHBondContact O-CD2 3.35Å; L132-Y137 PolarHBondContact O-N 3.09Å; L132-Y137 VanDerWaalsContact O-N 3.15Å; L132-Y143 HydrophobicContact CD1-CD1 3.78Å; L132-Y143 HydrophobicContact CD1-CG 3.75Å; L132-L145 HydrophobicContact CD1-CD2 3.98Å; L132-M162 HydrophobicContact CB-CE 3.96Å
133	Y	94.5	Very high	86.8	Confident	17 Å²	17	59 Å²	59	7%	0.067	30%	0.302	C	S	.	.	H	α-helix	trans	-62.6	-40.6	178.2	-167.9	-92.7	0	0	0	112.6	C129 S130 K135 N136 R138 M162 G166 F342 P344	C129-Y133 WeakPolarHBondContact O-CB 3.35Å; C129-Y133 PolarHBondContact O-N 3.14Å; S130-Y133 WeakPolarHBondContact O-CB 3.48Å; S130-Y133 PolarHBondContact O-N 2.89Å; Y133-K135 PolarHBondContact O-N 2.86Å; Y133-N136 WeakPolarHBondContact O-CA 3.28Å; Y133-N136 PolarHBondContact O-N 2.82Å; Y133-R138 PolarHBondContact OH-NH1 3.26Å; Y133-M162 HydrophobicContact CD2-CB 4.07Å; Y133-M162 HydrophobicContact CD2-CG 4.32Å; Y133-M162 HydrophobicContact CD2-SD 3.69Å; Y133-M162 HydrophobicContact CE2-CB 4.16Å; Y133-M162 WeakPolarHBondContact CE2-O 3.45Å; Y133-M162 HydrophobicContact CG-SD 4.41Å; Y133-G166 WeakPolarHBondContact CE1-O 3.36Å; Y133-G166 PolarHBondContact OH-O 3.05Å; Y133-F342 AromaticContact CD1-CE2 3.82Å; Y133-F342 HydrophobicContact CD1-CE2 3.82Å; Y133-F342 AromaticContact CD1-CZ 3.43Å; Y133-F342 HydrophobicContact CD1-CZ 3.43Å; Y133-F342 VanDerWaalsContact CD1-CZ 3.43Å; Y133-F342 AromaticContact CE1-CZ 3.73Å; Y133-F342 HydrophobicContact CE1-CZ 3.73Å; Y133-F342 HydrophobicContact CG-CE2 4.37Å; Y133-F342 HydrophobicContact CG-CZ 4.09Å; Y133-P344 HydrophobicContact CE1-CB 4.48Å; Y133-P344 VanDerWaalsContact CE1-OXT 3.25Å; Y133-P344 WeakPolarHBondContact CE1-OXT 3.48Å
134	Q	93	Very high	89.1	Confident	137 Å²	137	62.9 Å²	62.9	64%	0.64	31%	0.312	S	S	*	.	H	α-helix	trans	-62	-29.6	172.9	-71.5	175.6	-3.5	0	0	112.8	S130 S131 L132 N136	S130-Q134 WeakPolarHBondContact O-CG 3.41Å; S130-Q134 PolarHBondContact O-N 3.24Å; S131-Q134 PolarHBondContact O-N 3.13Å; L132-Q134 VanDerWaalsContact C-N 3.34Å; L132-Q134 PolarHBondContact O-N 3.47Å; Q134-N136 PolarHBondContact O-N 2.79Å
135	K	91.8	Very high	91	Very high	120 Å²	120	57.1 Å²	57.1	52%	0.522	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	15.1	171.8	-66.7	178.2	-178.4	-173.3	0	113.6	Y127 S131 L132 Y133 Y137	Y127-K135 PolarHBondContact OH-NZ 3.15Å; S131-K135 WeakPolarHBondContact O-CG 3.5Å; S131-K135 PolarHBondContact O-N 3.33Å; L132-K135 CarbonylContact O-C 3.55Å; L132-K135 WeakPolarHBondContact O-CA 3.43Å; L132-K135 WeakPolarHBondContact O-CB 3.37Å; L132-K135 PolarHBondContact O-N 2.8Å; Y133-K135 PolarHBondContact O-N 2.86Å; K135-Y137 VanDerWaalsContact C-N 3.33Å; K135-Y137 HydrophobicContact CB-CD2 3.78Å; K135-Y137 HydrophobicContact CB-CE2 3.82Å; K135-Y137 PolarHBondContact O-N 3.3Å
136	N	92	Very high	92.3	Very high	116 Å²	116	57 Å²	57	62%	0.62	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.9	22.3	176.9	-151.6	38.1	0	0	0	115.3	L132 Y133 Q134 R138	L132-N136 PolarHBondContact O-N 3.48Å; Y133-N136 WeakPolarHBondContact O-CA 3.28Å; Y133-N136 PolarHBondContact O-N 2.82Å; Q134-N136 PolarHBondContact O-N 2.79Å; N136-R138 PolarHBondContact O-N 3.46Å; N136-R138 PolarHBondContact OD1-NE 2.77Å
137	Y	92.1	Very high	93.1	Very high	120 Å²	120	58.7 Å²	58.7	47%	0.471	29%	0.288	S	S	.	.			trans	-80.9	99.9	167	-65.9	-94.1	0	0	0	109.2	L132 K135 Y143 M162	L132-Y137 HydrophobicContact CB-CD2 4.46Å; L132-Y137 HydrophobicContact CD2-CD2 4.29Å; L132-Y137 HydrophobicContact CD2-CE2 4.48Å; L132-Y137 WeakPolarHBondContact O-CB 3.25Å; L132-Y137 VanDerWaalsContact O-CD2 3.29Å; L132-Y137 WeakPolarHBondContact O-CD2 3.35Å; L132-Y137 PolarHBondContact O-N 3.09Å; L132-Y137 VanDerWaalsContact O-N 3.15Å; K135-Y137 VanDerWaalsContact C-N 3.33Å; K135-Y137 HydrophobicContact CB-CD2 3.78Å; K135-Y137 HydrophobicContact CB-CE2 3.82Å; K135-Y137 PolarHBondContact O-N 3.3Å; Y137-Y143 AromaticContact CD1-CE1 3.82Å; Y137-Y143 HydrophobicContact CD1-CE1 3.82Å; Y137-Y143 HydrophobicContact CG-CE1 4.23Å; Y137-M162 WeakPolarHBondContact O-CE 3.35Å
138	R	93.3	Very high	92.8	Very high	110 Å²	110	57.1 Å²	57.1	42%	0.415	28%	0.284	S	S	.	.			trans	-105.4	-0.6	-171.7	-59.2	-66.7	-176.7	142.1	-11.4	114.7	Y133 N136 M162 P344	Y133-R138 PolarHBondContact OH-NH1 3.26Å; N136-R138 PolarHBondContact O-N 3.46Å; N136-R138 PolarHBondContact OD1-NE 2.77Å; R138-M162 VanDerWaalsContact O-CB 3.26Å; R138-M162 WeakPolarHBondContact O-CB 3.46Å; R138-P344 PolarHBondContact NH1-OXT 2.98Å
139	I	96.9	Very high	92.1	Very high	131 Å²	131	64.1 Å²	64.1	67%	0.672	32%	0.322	S	S	*	.	S	Bend	trans	-94.1	125.2	-177.5	-63.8	166.3	0	0	0	109.3	Y143 M162	I139-Y143 WeakPolarHBondContact O-CE2 3.39Å; I139-Y143 PolarHBondContact O-OH 3.03Å; I139-M162 WeakPolarHBondContact O-CG 3.4Å
140	S	98.1	Very high	90.9	Very high	32 Å²	32	72 Å²	72	22%	0.224	36%	0.356	C	S	.	.			trans	-64.4	136.3	173.8	-57.2	0	0	0	0	110.8	C160 M162 E163	S140-C160 CarbonylContact C-O 3.56Å; S140-C160 VanDerWaalsContact CA-O 3.26Å; S140-C160 WeakPolarHBondContact CA-O 3.45Å; S140-M162 PolarHBondContact OG-N 3.27Å; S140-E163 WeakPolarHBondContact CB-OE1 3.49Å; S140-E163 PolarHBondContact OG-OE1 2.63Å
141	G	96.9	Very high	89.8	Confident	16 Å²	16	74.6 Å²	74.6	17%	0.165	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	166.7	-169.7	-176.2	0	0	0	0	0	114.6	Y143 F159 C160	G141-Y143 WeakPolarHBondContact O-CD2 3.38Å; G141-F159 CarbonylContact O-C 3.58Å; G141-F159 WeakPolarHBondContact O-CA 3.32Å; G141-C160 PolarHBondContact N-O 2.96Å; G141-C160 PolarHBondContact O-N 3.27Å
142	V	97.6	Very high	88.8	Confident	41 Å²	41	77 Å²	77	25%	0.248	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	127.7	178.1	-176.6	0	0	0	0	109.3	E157 V158 F159 I196 R197	V142-E157 VanDerWaalsContact CG1-CD 3.4Å; V142-E157 HydrophobicContact CG1-CG 3.28Å; V142-V158 WeakPolarHBondContact CA-O 3.33Å; V142-F159 HydrophobicContact CG2-CD2 4.06Å; V142-I196 HydrophobicContact CG1-CG2 4.14Å; V142-I196 HydrophobicContact CG2-CG2 3.98Å; V142-R197 HydrophobicContact CG2-CG 3.88Å
143	Y	95.9	Very high	88.1	Confident	41 Å²	41	77.3 Å²	77.3	16%	0.161	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	158	176.9	-69.5	-94.7	0	0	0	110.2	L132 Y137 I139 G141 E157 V158 C160 M162	L132-Y143 HydrophobicContact CD1-CD1 3.78Å; L132-Y143 HydrophobicContact CD1-CG 3.75Å; Y137-Y143 AromaticContact CD1-CE1 3.82Å; Y137-Y143 HydrophobicContact CD1-CE1 3.82Å; Y137-Y143 HydrophobicContact CG-CE1 4.23Å; I139-Y143 WeakPolarHBondContact O-CE2 3.39Å; I139-Y143 PolarHBondContact O-OH 3.03Å; G141-Y143 WeakPolarHBondContact O-CD2 3.38Å; Y143-E157 WeakPolarHBondContact O-CA 3.48Å; Y143-V158 PolarHBondContact N-O 3.1Å; Y143-V158 PolarHBondContact O-N 2.91Å; Y143-C160 HydrophobicContact CD2-CB 3.56Å; Y143-C160 WeakPolarHBondContact CD2-SG 3.39Å; Y143-C160 HydrophobicContact CE2-CB 3.84Å; Y143-M162 HydrophobicContact CE2-CE 4.07Å
144	K	93	Very high	87.7	Confident	119 Å²	119	80.1 Å²	80.1	52%	0.517	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	123.1	173.2	-69.7	179.8	162.7	-138.5	0	109.4	E155	K144-E155 HydrophobicContact CB-CG 4.43Å; K144-E155 IonicContact NZ-OE1 2.77Å; K144-E155 PolarHBondContact NZ-OE1 3.31Å
145	L	90.8	Very high	87.5	Confident	0 Å²	0	78.5 Å²	78.5	0%	0	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	130.6	171	-51.5	174.5	0	0	0	107.5	Y127 L132 E155 L156 V158 L210	Y127-L145 HydrophobicContact CD1-CB 4.31Å; Y127-L145 HydrophobicContact CD1-CD2 3.75Å; Y127-L145 HydrophobicContact CE1-CD2 4.32Å; Y127-L145 WeakPolarHBondContact O-CD1 3.5Å; L132-L145 HydrophobicContact CD1-CD2 3.98Å; L145-E155 WeakPolarHBondContact O-CA 3.39Å; L145-E155 WeakPolarHBondContact O-CG 3.44Å; L145-L156 HydrophobicContact CB-CB 4.43Å; L145-L156 HydrophobicContact CD1-CD2 4.38Å; L145-L156 PolarHBondContact N-O 2.97Å; L145-L156 PolarHBondContact O-N 2.8Å; L145-V158 HydrophobicContact CD1-CB 4.36Å; L145-V158 HydrophobicContact CD1-CG1 3.57Å; L145-V158 HydrophobicContact CD1-CG2 3.82Å; L145-V158 HydrophobicContact CD2-CG2 4.04Å; L145-V158 HydrophobicContact CG-CG1 4.21Å; L145-V158 HydrophobicContact CG-CG2 3.77Å; L145-L210 HydrophobicContact CD1-CD2 4.44Å
146	P	86.8	Confident	87.6	Confident	59 Å²	59	73.4 Å²	73.4	38%	0.383	39%	0.391	S	S	.	.	P	Polyproline II helix	trans	-62.8	156.6	-176.3	29.2	-33.8	0	0	0	111.1	Y127	Y127-P146 HydrophobicContact CD1-CG 3.92Å; Y127-P146 HydrophobicContact CD2-CG 4.27Å; Y127-P146 HydrophobicContact CE1-CG 4.25Å; Y127-P146 HydrophobicContact CG-CG 3.91Å
147	P	86.4	Confident	87.8	Confident	65 Å²	65	72 Å²	72	42%	0.422	38%	0.381	S	S	.	.	P	Polyproline II helix	trans	-61.6	153	168.6	29.2	-34	0	0	0	110.3	S153	P147-S153 VanDerWaalsContact CA-O 3.31Å; P147-S153 WeakPolarHBondContact CA-O 3.27Å; P147-S153 WeakPolarHBondContact CB-O 3.32Å
148	D	79.6	Confident	88	Confident	39 Å²	39	66.3 Å²	66.3	21%	0.209	36%	0.358	C	S	.	.	B	Isolated β-bridge	trans	-113.2	101.6	170.2	-173.6	-35.3	0	0	0	107.7	F150 L151 G152 S153	D148-F150 PolarHBondContact O-N 3.4Å; D148-F150 WeakPolarHBondContact OD1-CB 3.1Å; D148-F150 PolarHBondContact OD1-N 3.02Å; D148-L151 HydrophobicContact CB-CB 4.19Å; D148-L151 CarbonylContact O-C 3.58Å; D148-L151 PolarHBondContact O-N 3.21Å; D148-L151 PolarHBondContact OD1-N 3.34Å; D148-L151 WeakPolarHBondContact OD2-CD1 3.1Å; D148-G152 CarbonylContact O-C 3.56Å; D148-G152 WeakPolarHBondContact O-CA 3.17Å; D148-G152 PolarHBondContact O-N 3.22Å; D148-S153 VanDerWaalsContact CB-OG 3.26Å; D148-S153 WeakPolarHBondContact CB-OG 3.45Å; D148-S153 PolarHBondContact N-O 2.61Å; D148-S153 PolarHBondContact O-N 3.4Å
149	D	77	Confident	88.3	Confident	151 Å²	151	63 Å²	63	81%	0.807	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-29.2	-177.8	-66.3	-34.9	0	0	0	112.1
150	F	72	Confident	88.3	Confident	165 Å²	165	56.8 Å²	56.8	72%	0.724	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-43.1	179.1	-179.4	-102.7	0	0	0	111.1	A123 D148 G152	A123-F150 HydrophobicContact CB-CE1 4.42Å; D148-F150 PolarHBondContact O-N 3.4Å; D148-F150 WeakPolarHBondContact OD1-CB 3.1Å; D148-F150 PolarHBondContact OD1-N 3.02Å; F150-G152 VanDerWaalsContact C-N 3.3Å
151	L	71.7	Confident	88.4	Confident	62 Å²	62	55.8 Å²	55.8	33%	0.325	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-0.1	177.1	-63.8	170.7	0	0	0	113.1	D148 S153 R212	D148-L151 HydrophobicContact CB-CB 4.19Å; D148-L151 CarbonylContact O-C 3.58Å; D148-L151 PolarHBondContact O-N 3.21Å; D148-L151 PolarHBondContact OD1-N 3.34Å; D148-L151 WeakPolarHBondContact OD2-CD1 3.1Å; L151-S153 PolarHBondContact O-N 2.84Å; L151-R212 VanDerWaalsContact CD1-NH1 3.28Å
152	G	73	Confident	88.4	Confident	68 Å²	68	55.3 Å²	55.3	70%	0.701	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.6	25.9	-178	0	0	0	0	0	113.5	D148 F150	D148-G152 CarbonylContact O-C 3.56Å; D148-G152 WeakPolarHBondContact O-CA 3.17Å; D148-G152 PolarHBondContact O-N 3.22Å; F150-G152 VanDerWaalsContact C-N 3.3Å
153	S	77.8	Confident	88.4	Confident	15 Å²	15	60 Å²	60	11%	0.105	32%	0.32	C	S	.	.	B	Isolated β-bridge	trans	-97.1	136	-174.2	73.6	0	0	0	0	111.4	P147 D148 L151 R209	P147-S153 VanDerWaalsContact CA-O 3.31Å; P147-S153 WeakPolarHBondContact CA-O 3.27Å; P147-S153 WeakPolarHBondContact CB-O 3.32Å; D148-S153 VanDerWaalsContact CB-OG 3.26Å; D148-S153 WeakPolarHBondContact CB-OG 3.45Å; D148-S153 PolarHBondContact N-O 2.61Å; D148-S153 PolarHBondContact O-N 3.4Å; L151-S153 PolarHBondContact O-N 2.84Å; S153-R209 VanDerWaalsContact CB-CD 3.5Å; S153-R209 WeakPolarHBondContact OG-CD 3.41Å; S153-R209 PolarHBondContact OG-NH1 2.67Å
154	P	85.3	Confident	88.4	Confident	75 Å²	75	59.8 Å²	59.8	49%	0.487	32%	0.323	S	S	.	.	P	Polyproline II helix	trans	-74.1	167.9	-173	31.9	-36.9	0	0	0	112.2	L156	P154-L156 PolarHBondContact O-N 2.94Å
155	E	90.3	Very high	88.5	Confident	103 Å²	103	57.3 Å²	57.3	48%	0.481	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-52.8	134.3	162.9	-177	179.9	90.9	0	0	109.1	K144 L145	K144-E155 HydrophobicContact CB-CG 4.43Å; K144-E155 IonicContact NZ-OE1 2.77Å; K144-E155 PolarHBondContact NZ-OE1 3.31Å; L145-E155 WeakPolarHBondContact O-CA 3.39Å; L145-E155 WeakPolarHBondContact O-CG 3.44Å
156	L	93.4	Very high	88.7	Confident	13 Å²	13	58.4 Å²	58.4	7%	0.068	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	123.3	-177.7	-176.6	63.9	0	0	0	110.6	L145 P154 V158 L202 H206 L210	L145-L156 HydrophobicContact CB-CB 4.43Å; L145-L156 HydrophobicContact CD1-CD2 4.38Å; L145-L156 PolarHBondContact N-O 2.97Å; L145-L156 PolarHBondContact O-N 2.8Å; P154-L156 PolarHBondContact O-N 2.94Å; L156-V158 HydrophobicContact CD2-CG1 3.82Å; L156-V158 HydrophobicContact CG-CG1 3.8Å; L156-L202 HydrophobicContact CD1-CD1 4.06Å; L156-L202 HydrophobicContact CD2-CD1 4.29Å; L156-L202 HydrophobicContact CD2-CD2 4.34Å; L156-L202 HydrophobicContact CG-CD1 4.39Å; L156-H206 HydrophobicContact CD1-CB 4.37Å; L156-H206 HydrophobicContact CD2-CB 3.91Å; L156-L210 HydrophobicContact CD2-CD1 4.37Å
157	E	95.6	Very high	89.2	Confident	87 Å²	87	55.6 Å²	55.6	41%	0.407	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	126.6	169.6	-169.5	175.9	83.1	0	0	109.8	V142 Y143 I196	V142-E157 VanDerWaalsContact CG1-CD 3.4Å; V142-E157 HydrophobicContact CG1-CG 3.28Å; Y143-E157 WeakPolarHBondContact O-CA 3.48Å; E157-I196 HydrophobicContact CB-CG1 4.43Å; E157-I196 HydrophobicContact CG-CG1 4.18Å; E157-I196 WeakPolarHBondContact O-CD1 3.27Å
158	V	97.5	Very high	89.7	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	155.9	-179.3	-61.7	0	0	0	0	111	V142 Y143 L145 L156 T170 L202	V142-V158 WeakPolarHBondContact CA-O 3.33Å; Y143-V158 PolarHBondContact N-O 3.1Å; Y143-V158 PolarHBondContact O-N 2.91Å; L145-V158 HydrophobicContact CD1-CB 4.36Å; L145-V158 HydrophobicContact CD1-CG1 3.57Å; L145-V158 HydrophobicContact CD1-CG2 3.82Å; L145-V158 HydrophobicContact CD2-CG2 4.04Å; L145-V158 HydrophobicContact CG-CG1 4.21Å; L145-V158 HydrophobicContact CG-CG2 3.77Å; L156-V158 HydrophobicContact CD2-CG1 3.82Å; L156-V158 HydrophobicContact CG-CG1 3.8Å; V158-T170 HydrophobicContact CB-CG2 3.98Å; V158-T170 HydrophobicContact CG1-CG2 3.95Å; V158-T170 HydrophobicContact CG2-CG2 4.38Å; V158-L202 HydrophobicContact CG1-CD1 4.2Å
159	F	98.4	Very high	90.6	Very high	42 Å²	42	50.7 Å²	50.7	18%	0.184	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	120.7	165.1	-163.1	-75	0	0	0	109	G141 V142 I171 R174 I196	G141-F159 CarbonylContact O-C 3.58Å; G141-F159 WeakPolarHBondContact O-CA 3.32Å; V142-F159 HydrophobicContact CG2-CD2 4.06Å; F159-I171 HydrophobicContact CB-CB 4.32Å; F159-I171 HydrophobicContact CB-CD1 4.34Å; F159-I171 HydrophobicContact CD1-CD1 3.51Å; F159-I171 HydrophobicContact CD1-CG1 4.32Å; F159-I171 HydrophobicContact CE1-CD1 4.15Å; F159-I171 HydrophobicContact CG-CD1 4.2Å; F159-I171 PolarHBondContact O-N 3.32Å; F159-R174 VanDerWaalsContact CG-NH2 3.33Å; F159-I196 HydrophobicContact CB-CG2 3.76Å; F159-I196 HydrophobicContact CD2-CG2 4.49Å
160	C	98.3	Very high	91.6	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	124.4	173.4	-58.9	0	0	0	0	110.6	C129 S140 G141 Y143 M162 W169	C129-C160 VanDerWaalsContact CA-SG 3.58Å; C129-C160 HydrophobicContact CB-CB 3.58Å; C129-C160 WeakPolarHBondContact CB-SG 3.42Å; C129-C160 WeakPolarHBondContact SG-CA 3.49Å; C129-C160 WeakPolarHBondContact SG-CB 3.38Å; C129-C160 CovalentContact SG-SG 2.03Å; C129-C160 PolarHBondContact SG-SG 2.84Å; S140-C160 CarbonylContact C-O 3.56Å; S140-C160 VanDerWaalsContact CA-O 3.26Å; S140-C160 WeakPolarHBondContact CA-O 3.45Å; G141-C160 PolarHBondContact N-O 2.96Å; G141-C160 PolarHBondContact O-N 3.27Å; Y143-C160 HydrophobicContact CD2-CB 3.56Å; Y143-C160 WeakPolarHBondContact CD2-SG 3.39Å; Y143-C160 HydrophobicContact CE2-CB 3.84Å; C160-M162 HydrophobicContact CB-CE 3.36Å; C160-M162 HydrophobicContact CB-CG 4.31Å; C160-M162 HydrophobicContact CB-SD 3.81Å; C160-W169 CarbonylContact C-O 3.58Å; C160-W169 VanDerWaalsContact CA-O 3.29Å; C160-W169 WeakPolarHBondContact CA-O 3.38Å
161	D	98.4	Very high	92.9	Very high	11 Å²	11	35.6 Å²	35.6	6%	0.059	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	109	168	170.8	-2.4	0	0	0	108	E163 T164 G167 G168 W169 I171 K336	D161-E163 PolarHBondContact OD1-N 3.33Å; D161-T164 VanDerWaalsContact CG-OG1 3.3Å; D161-T164 WeakPolarHBondContact OD1-CB 3.13Å; D161-T164 PolarHBondContact OD1-N 3.47Å; D161-T164 PolarHBondContact OD1-OG1 2.88Å; D161-T164 WeakPolarHBondContact OD2-CB 3.31Å; D161-T164 PolarHBondContact OD2-OG1 3.39Å; D161-G167 CarbonylContact O-C 3.57Å; D161-G168 PolarHBondContact O-N 3.31Å; D161-G168 VanDerWaalsContact O-N 3.13Å; D161-W169 HydrophobicContact CB-CB 4.07Å; D161-W169 PolarHBondContact N-O 3.22Å; D161-W169 PolarHBondContact O-N 3.46Å; D161-I171 HydrophobicContact CB-CD1 4.23Å; D161-I171 HydrophobicContact CB-CG1 4.42Å; D161-K336 IonicContact OD2-NZ 2.72Å; D161-K336 PolarHBondContact OD2-NZ 3.13Å
162	M	97.8	Very high	94.2	Very high	6 Å²	6	32.7 Å²	32.7	3%	0.03	20%	0.195	C	C	.	.	S	Bend	trans	-99.9	7.8	-174.4	-57.6	-50.6	-160.8	0	0	112.4	C129 L132 Y133 Y137 R138 I139 S140 Y143 C160 G167	C129-M162 HydrophobicContact CB-CE 4.43Å; L132-M162 HydrophobicContact CB-CE 3.96Å; Y133-M162 HydrophobicContact CD2-CB 4.07Å; Y133-M162 HydrophobicContact CD2-CG 4.32Å; Y133-M162 HydrophobicContact CD2-SD 3.69Å; Y133-M162 HydrophobicContact CE2-CB 4.16Å; Y133-M162 WeakPolarHBondContact CE2-O 3.45Å; Y133-M162 HydrophobicContact CG-SD 4.41Å; Y137-M162 WeakPolarHBondContact O-CE 3.35Å; R138-M162 VanDerWaalsContact O-CB 3.26Å; R138-M162 WeakPolarHBondContact O-CB 3.46Å; I139-M162 WeakPolarHBondContact O-CG 3.4Å; S140-M162 PolarHBondContact OG-N 3.27Å; Y143-M162 HydrophobicContact CE2-CE 4.07Å; C160-M162 HydrophobicContact CB-CE 3.36Å; C160-M162 HydrophobicContact CB-CG 4.31Å; C160-M162 HydrophobicContact CB-SD 3.81Å; M162-G167 WeakPolarHBondContact O-CA 3.32Å
163	E	96.9	Very high	95.4	Very high	140 Å²	140	29.4 Å²	29.4	65%	0.654	16%	0.162	S	C	*	.	S	Bend	trans	-119.1	-48	-171.5	-71.8	160.7	-129.3	0	0	111.7	S140 D161 S165	S140-E163 WeakPolarHBondContact CB-OE1 3.49Å; S140-E163 PolarHBondContact OG-OE1 2.63Å; D161-E163 PolarHBondContact OD1-N 3.33Å; E163-S165 PolarHBondContact O-N 3.27Å
164	T	96.8	Very high	96.4	Very high	36 Å²	36	29.1 Å²	29.1	22%	0.221	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-62.2	127.9	-173.2	-59.4	0	0	0	0	111.4	D161 G166 G167 W169 E220	D161-T164 VanDerWaalsContact CG-OG1 3.3Å; D161-T164 WeakPolarHBondContact OD1-CB 3.13Å; D161-T164 PolarHBondContact OD1-N 3.47Å; D161-T164 PolarHBondContact OD1-OG1 2.88Å; D161-T164 WeakPolarHBondContact OD2-CB 3.31Å; D161-T164 PolarHBondContact OD2-OG1 3.39Å; T164-G166 PolarHBondContact O-N 2.75Å; T164-G166 VanDerWaalsContact O-N 3.09Å; T164-G167 PolarHBondContact O-N 2.97Å; T164-W169 PolarHBondContact O-NE1 3.48Å; T164-E220 WeakPolarHBondContact CG2-OE1 3.2Å
165	S	94.8	Very high	97	Very high	66 Å²	66	25.8 Å²	25.8	46%	0.462	14%	0.136	S	C	.	.	G	3₁₀ helix	trans	49.1	41.7	173.6	-165.2	0	0	0	0	113.4	E163 R338	E163-S165 PolarHBondContact O-N 3.27Å; S165-R338 PolarHBondContact O-NH1 2.94Å; S165-R338 PolarHBondContact O-NH2 3.45Å
166	G	95.4	Very high	97.3	Very high	24 Å²	24	24.9 Å²	24.9	25%	0.247	13%	0.131	C	C	.	.	G	3₁₀ helix	trans	84.4	11.3	179.9	0	0	0	0	0	115.7	Y133 T164	Y133-G166 WeakPolarHBondContact CE1-O 3.36Å; Y133-G166 PolarHBondContact OH-O 3.05Å; T164-G166 PolarHBondContact O-N 2.75Å; T164-G166 VanDerWaalsContact O-N 3.09Å
167	G	97.1	Very high	97.3	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.139	C	C	.	.	S	Bend	trans	73.2	-169.6	168.8	0	0	0	0	0	116.2	D161 M162 T164 W169 R338 F342	D161-G167 CarbonylContact O-C 3.57Å; M162-G167 WeakPolarHBondContact O-CA 3.32Å; T164-G167 PolarHBondContact O-N 2.97Å; G167-W169 VanDerWaalsContact C-N 3.3Å; G167-W169 PolarHBondContact O-N 3.32Å; G167-R338 WeakPolarHBondContact O-CD 3.28Å; G167-R338 PolarHBondContact O-NH1 3.2Å; G167-F342 WeakPolarHBondContact O-CE1 3.45Å
168	G	97.2	Very high	97.1	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.134	C	C	.	.			trans	71.2	22.2	-179.8	0	0	0	0	0	114.4	S130 D161 R338	S130-G168 PolarHBondContact N-O 2.66Å; D161-G168 PolarHBondContact O-N 3.31Å; D161-G168 VanDerWaalsContact O-N 3.13Å; G168-R338 WeakPolarHBondContact O-CD 3.24Å; G168-R338 WeakPolarHBondContact O-CG 3.47Å
169	W	98.3	Very high	96.9	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	134.6	178.9	-67.8	101	0	0	0	111.7	C129 C160 D161 T164 G167 R216 R218 K336 R338	C129-W169 WeakPolarHBondContact CB-O 3.43Å; C160-W169 CarbonylContact C-O 3.58Å; C160-W169 VanDerWaalsContact CA-O 3.29Å; C160-W169 WeakPolarHBondContact CA-O 3.38Å; D161-W169 HydrophobicContact CB-CB 4.07Å; D161-W169 PolarHBondContact N-O 3.22Å; D161-W169 PolarHBondContact O-N 3.46Å; T164-W169 PolarHBondContact O-NE1 3.48Å; G167-W169 VanDerWaalsContact C-N 3.3Å; G167-W169 PolarHBondContact O-N 3.32Å; W169-R216 HydrophobicContact CH2-CG 4.18Å; W169-R216 HydrophobicContact CZ3-CG 4.24Å; W169-R218 HydrophobicContact CE3-CB 4.33Å; W169-R218 HydrophobicContact CH2-CB 3.57Å; W169-R218 HydrophobicContact CZ2-CB 4.11Å; W169-R218 HydrophobicContact CZ3-CB 3.7Å; W169-K336 HydrophobicContact CB-CB 4.16Å; W169-K336 HydrophobicContact CB-CD 3.95Å; W169-K336 HydrophobicContact CB-CG 4.16Å; W169-K336 HydrophobicContact CD2-CD 4.12Å; W169-K336 HydrophobicContact CD2-CG 3.97Å; W169-K336 HydrophobicContact CE3-CB 4.27Å; W169-K336 HydrophobicContact CE3-CD 4.44Å; W169-K336 HydrophobicContact CE3-CG 3.77Å; W169-K336 HydrophobicContact CG-CD 3.91Å; W169-K336 HydrophobicContact CG-CG 4.16Å; W169-K336 HydrophobicContact CZ3-CG 4.45Å; W169-R338 HydrophobicContact CD2-CB 3.91Å; W169-R338 VanDerWaalsContact CE2-CZ 3.41Å; W169-R338 HydrophobicContact CE3-CB 3.39Å; W169-R338 HydrophobicContact CH2-CB 4.28Å; W169-R338 VanDerWaalsContact CZ2-CZ 3.43Å; W169-R338 HydrophobicContact CZ3-CB 3.59Å
170	T	98.4	Very high	96.9	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	116.7	169.8	-50.8	0	0	0	0	109.2	C129 V158 I172 L210 K336 I337	C129-T170 VanDerWaalsContact CB-OG1 3.27Å; C129-T170 WeakPolarHBondContact CB-OG1 3.32Å; C129-T170 PolarHBondContact N-OG1 2.91Å; C129-T170 PolarHBondContact SG-OG1 2.03Å; V158-T170 HydrophobicContact CB-CG2 3.98Å; V158-T170 HydrophobicContact CG1-CG2 3.95Å; V158-T170 HydrophobicContact CG2-CG2 4.38Å; T170-I172 PolarHBondContact O-N 2.98Å; T170-L210 HydrophobicContact CG2-CD1 4.15Å; T170-K336 CarbonylContact O-C 3.56Å; T170-K336 VanDerWaalsContact O-CA 3.27Å; T170-K336 WeakPolarHBondContact O-CA 3.16Å; T170-I337 PolarHBondContact N-O 2.95Å; T170-I337 PolarHBondContact O-N 3.3Å
171	I	98.7	Very high	96.8	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	124.5	178.4	-58.4	-179.8	0	0	0	109.6	F159 D161 Q173 R174 F200 K336	F159-I171 HydrophobicContact CB-CB 4.32Å; F159-I171 HydrophobicContact CB-CD1 4.34Å; F159-I171 HydrophobicContact CD1-CD1 3.51Å; F159-I171 HydrophobicContact CD1-CG1 4.32Å; F159-I171 HydrophobicContact CE1-CD1 4.15Å; F159-I171 HydrophobicContact CG-CD1 4.2Å; F159-I171 PolarHBondContact O-N 3.32Å; D161-I171 HydrophobicContact CB-CD1 4.23Å; D161-I171 HydrophobicContact CB-CG1 4.42Å; I171-Q173 VanDerWaalsContact CG2-O 3.28Å; I171-Q173 WeakPolarHBondContact CG2-O 3.26Å; I171-R174 HydrophobicContact CG2-CB 4.39Å; I171-F200 HydrophobicContact CB-CZ 4.14Å; I171-F200 HydrophobicContact CG2-CE1 4.12Å; I171-F200 HydrophobicContact CG2-CZ 3.67Å; I171-F200 WeakPolarHBondContact O-CZ 3.37Å; I171-K336 HydrophobicContact CG1-CB 4.01Å
172	I	98.8	Very high	96.8	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	-20.1	-178.2	60.9	165.9	0	0	0	113	T170 L202 I207 L217 F236 M335 I337	T170-I172 PolarHBondContact O-N 2.98Å; I172-L202 HydrophobicContact CB-CB 4.33Å; I172-L202 HydrophobicContact CB-CD2 4.35Å; I172-L202 HydrophobicContact CG2-CD2 3.85Å; I172-L202 VanDerWaalsContact O-CB 3.3Å; I172-L202 WeakPolarHBondContact O-CB 3.37Å; I172-L202 PolarHBondContact O-N 3.21Å; I172-I207 HydrophobicContact CB-CD1 3.99Å; I172-I207 HydrophobicContact CB-CG1 3.9Å; I172-I207 HydrophobicContact CD1-CD1 4.25Å; I172-I207 HydrophobicContact CD1-CG1 4.44Å; I172-I207 HydrophobicContact CD1-CG2 4.04Å; I172-I207 HydrophobicContact CG2-CG1 4Å; I172-L217 HydrophobicContact CD1-CD1 4.31Å; I172-F236 HydrophobicContact CD1-CE1 4.21Å; I172-F236 HydrophobicContact CD1-CZ 4.02Å; I172-M335 HydrophobicContact CD1-CB 4.17Å; I172-M335 HydrophobicContact CG1-CB 3.76Å; I172-M335 VanDerWaalsContact CG1-O 3.27Å; I172-M335 WeakPolarHBondContact CG1-O 3.37Å; I172-M335 PolarHBondContact N-O 2.84Å; I172-I337 HydrophobicContact CD1-CG2 3.82Å; I172-I337 HydrophobicContact CG1-CG2 4.37Å; I172-I337 HydrophobicContact CG2-CD1 3.73Å; I172-I337 HydrophobicContact CG2-CG1 3.77Å; I172-I337 HydrophobicContact CG2-CG2 4.33Å
173	Q	98.8	Very high	96.9	Very high	0 Å²	0	36 Å²	36	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	141.5	176.1	-171.1	-97.7	39.7	0	0	109.6	I171 F182 F200 W201 L301 N302 V333 E334 M335	I171-Q173 VanDerWaalsContact CG2-O 3.28Å; I171-Q173 WeakPolarHBondContact CG2-O 3.26Å; Q173-F182 HydrophobicContact CG-CE1 4.14Å; Q173-F200 WeakPolarHBondContact CA-O 3.26Å; Q173-W201 HydrophobicContact CB-CE3 3.65Å; Q173-W201 HydrophobicContact CB-CZ3 3.71Å; Q173-W201 HydrophobicContact CG-CE3 3.5Å; Q173-W201 HydrophobicContact CG-CZ3 3.76Å; Q173-L301 PolarHBondContact NE2-O 2.92Å; Q173-N302 PolarHBondContact NE2-OD1 3.17Å; Q173-V333 PolarHBondContact OE1-O 2.91Å; Q173-E334 WeakPolarHBondContact O-CA 3.3Å; Q173-M335 HydrophobicContact CB-CB 3.87Å; Q173-M335 HydrophobicContact CB-CG 4.02Å; Q173-M335 HydrophobicContact CB-SD 4.1Å; Q173-M335 HydrophobicContact CG-SD 4.44Å; Q173-M335 PolarHBondContact N-O 3.48Å; Q173-M335 PolarHBondContact O-N 3.09Å
174	R	98.7	Very high	97	Very high	9 Å²	9	30.9 Å²	30.9	3%	0.034	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	133.4	170.6	-179.1	-177.2	-71.1	149	-10.5	111.6	F159 I171 K176 I196 G198 D199 F200 V333 E334	F159-R174 VanDerWaalsContact CG-NH2 3.33Å; I171-R174 HydrophobicContact CG2-CB 4.39Å; R174-K176 HydrophobicContact CG-CG 4.44Å; R174-I196 PolarHBondContact NH1-O 3.39Å; R174-G198 WeakPolarHBondContact CD-O 3.41Å; R174-D199 CarbonylContact O-C 3.41Å; R174-D199 WeakPolarHBondContact O-CA 3.38Å; R174-F200 HydrophobicContact CB-CD1 3.84Å; R174-F200 HydrophobicContact CB-CE1 3.66Å; R174-F200 PolarHBondContact N-O 3.48Å; R174-F200 PolarHBondContact O-N 3.29Å; R174-V333 CarbonylContact C-O 3.51Å; R174-V333 WeakPolarHBondContact CA-O 3.47Å; R174-E334 HydrophobicContact CB-CG 4.4Å; R174-E334 HydrophobicContact CG-CG 4.03Å; R174-E334 IonicContact CZ-OE1 3.47Å; R174-E334 IonicContact NE-OE1 2.63Å; R174-E334 PolarHBondContact NE-OE1 3.26Å; R174-E334 IonicContact NH2-OE1 2.69Å; R174-E334 PolarHBondContact NH2-OE1 3.2Å; R174-E334 VanDerWaalsContact NH2-OE1 3.15Å
175	R	98.3	Very high	97	Very high	4 Å²	4	31 Å²	31	2%	0.015	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	123.3	167.4	-45.5	-58.1	-61.4	-81.7	6.9	108.7	F182 L301 N302 G303 I318 R332 V333	R175-F182 VanDerWaalsContact CD-CE1 3.45Å; R175-F182 VanDerWaalsContact CZ-CD2 3.44Å; R175-L301 PolarHBondContact NH1-O 2.83Å; R175-N302 VanDerWaalsContact NH1-C 3.32Å; R175-G303 PolarHBondContact NH1-O 3.04Å; R175-G303 PolarHBondContact NH2-O 2.69Å; R175-I318 HydrophobicContact CB-CD1 3.96Å; R175-I318 HydrophobicContact CG-CD1 4.07Å; R175-R332 CarbonylContact O-C 3.31Å; R175-R332 WeakPolarHBondContact O-CA 3.38Å; R175-V333 HydrophobicContact CB-CB 4.32Å; R175-V333 HydrophobicContact CG-CB 4.29Å; R175-V333 PolarHBondContact N-O 3.41Å; R175-V333 PolarHBondContact O-N 2.05Å
176	K	95.4	Very high	97.2	Very high	85 Å²	85	28.8 Å²	28.8	37%	0.37	16%	0.163	S	C	.	.	S	Bend	trans	-149.4	-15.6	175.2	62.6	171.1	175.9	-176.4	0	115.4	R174 R197 D199 R332	R174-K176 HydrophobicContact CG-CG 4.44Å; K176-R197 WeakPolarHBondContact CE-O 3.34Å; K176-R197 PolarHBondContact NZ-O 2.99Å; K176-D199 WeakPolarHBondContact CG-OD1 3.43Å; K176-D199 PolarHBondContact N-OD1 3.26Å; K176-R332 HydrophobicContact CB-CG 4.15Å
177	S	92.9	Very high	97.4	Very high	34 Å²	34	34.1 Å²	34.1	24%	0.238	18%	0.179	C	C	.	.	S	Bend	trans	-129.6	-26	-170.6	62.9	0	0	0	0	114.1	L179 D199	S177-L179 PolarHBondContact O-N 3.15Å; S177-D199 PolarHBondContact N-OD1 3.27Å; S177-D199 PolarHBondContact N-OD2 2.83Å; S177-D199 PolarHBondContact OG-OD1 2.84Å; S177-D199 PolarHBondContact OG-OD2 2.93Å
178	G	92.4	Very high	97.5	Very high	30 Å²	30	36.9 Å²	36.9	31%	0.309	19%	0.192	S	C	.	.	S	Bend	trans	73.7	12	-176.3	0	0	0	0	0	114.1	V180 D199	G178-V180 VanDerWaalsContact C-N 3.35Å; G178-D199 PolarHBondContact N-OD2 2.85Å
179	L	94	Very high	97.6	Very high	144 Å²	144	36.9 Å²	36.9	75%	0.754	19%	0.192	S	C	*	.			trans	-79.5	-17.6	-177.3	-64.9	177.6	0	0	0	113.5	S177	S177-L179 PolarHBondContact O-N 3.15Å
180	V	96.9	Very high	97.6	Very high	36 Å²	36	39.8 Å²	39.8	22%	0.218	21%	0.205	C	C	.	.	S	Bend	trans	-109.1	128.2	178.9	178.3	0	0	0	0	108.5	G178 F182 F193 D199	G178-V180 VanDerWaalsContact C-N 3.35Å; V180-F182 HydrophobicContact CB-CE2 4.25Å; V180-F182 HydrophobicContact CG1-CD2 4.35Å; V180-F182 HydrophobicContact CG1-CE2 4.12Å; V180-F182 WeakPolarHBondContact O-CD2 3.44Å; V180-F193 HydrophobicContact CG1-CD2 3.86Å; V180-F193 HydrophobicContact CG1-CE2 4.17Å; V180-D199 HydrophobicContact CB-CB 4.02Å; V180-D199 HydrophobicContact CG2-CB 4.14Å
181	S	97.4	Very high	97.5	Very high	71 Å²	71	45.3 Å²	45.3	50%	0.497	23%	0.23	S	C	.	.			trans	-72.9	129.2	171.2	-178.9	0	0	0	0	109.9	Y183 Q184	S181-Y183 PolarHBondContact OG-N 2.98Å; S181-Q184 WeakPolarHBondContact O-CG 3.31Å; S181-Q184 PolarHBondContact O-NE2 3.44Å
182	F	98.6	Very high	97.5	Very high	5 Å²	5	46.4 Å²	46.4	2%	0.022	24%	0.242	C	C	.	.			trans	-96.4	1	172.4	-81.7	-121.1	0	0	0	111.7	Q173 R175 V180 Q184 Y189 F193 D199 F200 W201 N302	Q173-F182 HydrophobicContact CG-CE1 4.14Å; R175-F182 VanDerWaalsContact CD-CE1 3.45Å; R175-F182 VanDerWaalsContact CZ-CD2 3.44Å; V180-F182 HydrophobicContact CB-CE2 4.25Å; V180-F182 HydrophobicContact CG1-CD2 4.35Å; V180-F182 HydrophobicContact CG1-CE2 4.12Å; V180-F182 WeakPolarHBondContact O-CD2 3.44Å; F182-Q184 PolarHBondContact O-N 3.31Å; F182-Y189 WeakPolarHBondContact O-CE2 3.41Å; F182-Y189 PolarHBondContact O-OH 3.17Å; F182-F193 HydrophobicContact CB-CE2 4.46Å; F182-F193 HydrophobicContact CB-CZ 4.4Å; F182-F193 AromaticContact CD1-CE2 3.97Å; F182-F193 HydrophobicContact CD1-CE2 3.97Å; F182-F193 AromaticContact CD1-CZ 3.85Å; F182-F193 HydrophobicContact CD1-CZ 3.85Å; F182-F193 AromaticContact CD2-CE2 3.86Å; F182-F193 HydrophobicContact CD2-CE2 3.86Å; F182-F193 HydrophobicContact CD2-CZ 4.48Å; F182-F193 HydrophobicContact CE1-CE2 4.1Å; F182-F193 HydrophobicContact CE1-CZ 4.19Å; F182-F193 AromaticContact CE2-CE2 3.98Å; F182-F193 HydrophobicContact CE2-CE2 3.98Å; F182-F193 AromaticContact CG-CE2 3.84Å; F182-F193 HydrophobicContact CG-CE2 3.84Å; F182-F193 HydrophobicContact CG-CZ 4.01Å; F182-F193 HydrophobicContact CZ-CE2 4.1Å; F182-D199 HydrophobicContact CE2-CB 4.11Å; F182-F200 WeakPolarHBondContact CZ-O 3.01Å; F182-W201 HydrophobicContact CE1-CB 4.26Å; F182-N302 WeakPolarHBondContact CB-O 3.29Å; F182-N302 HydrophobicContact CD1-CB 4.01Å
183	Y	98.5	Very high	97.5	Very high	71 Å²	71	47.6 Å²	47.6	28%	0.278	25%	0.247	S	C	.	.			trans	-80.3	58.9	173.9	-168.8	-134.2	0	0	0	111.9	S181 K272 A284 K288	S181-Y183 PolarHBondContact OG-N 2.98Å; Y183-K272 HydrophobicContact CD1-CD 4.42Å; Y183-K272 HydrophobicContact CD2-CB 4.3Å; Y183-K272 HydrophobicContact CD2-CD 4.37Å; Y183-K272 HydrophobicContact CE1-CD 4.15Å; Y183-K272 HydrophobicContact CE2-CB 3.51Å; Y183-K272 HydrophobicContact CE2-CD 4.13Å; Y183-K272 HydrophobicContact CE2-CG 4.44Å; Y183-K272 PolarHBondContact O-NZ 3.04Å; Y183-A284 WeakPolarHBondContact CE2-O 3.42Å; Y183-K288 WeakPolarHBondContact CB-O 3Å; Y183-K288 HydrophobicContact CD1-CD 4.46Å; Y183-K288 VanDerWaalsContact CD2-C 3.44Å; Y183-K288 VanDerWaalsContact CD2-CA 3.46Å; Y183-K288 HydrophobicContact CD2-CB 4.15Å; Y183-K288 HydrophobicContact CD2-CD 4.33Å; Y183-K288 HydrophobicContact CE1-CD 4.28Å; Y183-K288 HydrophobicContact CE2-CD 4.11Å; Y183-K288 HydrophobicContact CG-CB 4.35Å; Y183-K288 HydrophobicContact CG-CD 4.49Å
184	Q	98.6	Very high	97.4	Very high	33 Å²	33	50 Å²	50	15%	0.154	27%	0.271	C	S	.	.			trans	-98.5	165.4	-174.5	-56.5	-61.7	3.8	0	0	112.5	S181 F182 Q188 Y189 F193	S181-Q184 WeakPolarHBondContact O-CG 3.31Å; S181-Q184 PolarHBondContact O-NE2 3.44Å; F182-Q184 PolarHBondContact O-N 3.31Å; Q184-Q188 HydrophobicContact CB-CB 3.82Å; Q184-Q188 HydrophobicContact CG-CB 4.45Å; Q184-Q188 VanDerWaalsContact OE1-CD 3.23Å; Q184-Y189 HydrophobicContact CB-CD2 4.02Å; Q184-Y189 HydrophobicContact CB-CE2 3.92Å; Q184-F193 HydrophobicContact CB-CD1 4.36Å; Q184-F193 HydrophobicContact CB-CE1 4.05Å; Q184-F193 HydrophobicContact CB-CZ 4.36Å; Q184-F193 HydrophobicContact CG-CD1 4.09Å; Q184-F193 HydrophobicContact CG-CD2 4.17Å; Q184-F193 HydrophobicContact CG-CE1 3.92Å; Q184-F193 HydrophobicContact CG-CE2 4.02Å; Q184-F193 HydrophobicContact CG-CG 4.21Å; Q184-F193 HydrophobicContact CG-CZ 3.89Å
185	D	98.8	Very high	97.3	Very high	39 Å²	39	52.6 Å²	52.6	21%	0.209	29%	0.291	C	S	.	.			trans	-83.2	171.9	177.7	57.3	53.5	0	0	0	112.6	K187 Q188 Y189 D273	D185-K187 VanDerWaalsContact C-N 3.28Å; D185-K187 PolarHBondContact O-N 2.81Å; D185-K187 WeakPolarHBondContact OD1-CB 3.22Å; D185-K187 PolarHBondContact OD1-N 3.28Å; D185-K187 VanDerWaalsContact OD1-N 3.13Å; D185-Q188 PolarHBondContact O-N 3.34Å; D185-Q188 WeakPolarHBondContact OD1-CG 3.28Å; D185-Q188 PolarHBondContact OD1-N 3.3Å; D185-Q188 PolarHBondContact OD2-NE2 3.03Å; D185-Y189 PolarHBondContact O-N 2.88Å; D185-D273 WeakPolarHBondContact CA-OD1 3.27Å; D185-D273 WeakPolarHBondContact CB-OD1 3.35Å
186	W	98.8	Very high	97.2	Very high	20 Å²	20	53.4 Å²	53.4	8%	0.076	30%	0.296	C	S	.	.	H	α-helix	trans	-54.1	-43.4	178	-176	-97.9	0	0	0	112.8	Q188 Y189 K190 E241 Y245 F269 T271 D273 K274	W186-Q188 PolarHBondContact O-N 2.81Å; W186-Y189 PolarHBondContact O-N 2.83Å; W186-K190 VanDerWaalsContact O-CB 3.31Å; W186-K190 WeakPolarHBondContact O-CB 3.38Å; W186-K190 PolarHBondContact O-N 3.2Å; W186-E241 HydrophobicContact CZ2-CG 4.02Å; W186-E241 PolarHBondContact NE1-OE1 2.95Å; W186-Y245 AromaticContact CH2-CD2 3.64Å; W186-Y245 HydrophobicContact CH2-CD2 3.64Å; W186-Y245 HydrophobicContact CH2-CE2 4.12Å; W186-Y245 AromaticContact CZ2-CD2 3.54Å; W186-Y245 HydrophobicContact CZ2-CD2 3.54Å; W186-Y245 AromaticContact CZ2-CE2 3.53Å; W186-Y245 HydrophobicContact CZ2-CE2 3.53Å; W186-F269 HydrophobicContact CE3-CD1 4.45Å; W186-F269 HydrophobicContact CH2-CB 4.44Å; W186-F269 HydrophobicContact CZ3-CB 4.19Å; W186-F269 AromaticContact CZ3-CD1 4Å; W186-F269 HydrophobicContact CZ3-CD1 4Å; W186-F269 WeakPolarHBondContact CZ3-O 3.21Å; W186-T271 HydrophobicContact CE3-CG2 4.12Å; W186-T271 PolarHBondContact N-OG1 3.07Å; W186-D273 PolarHBondContact N-OD1 3.43Å; W186-K274 HydrophobicContact CB-CB 4.23Å; W186-K274 HydrophobicContact CD2-CB 4.23Å; W186-K274 HydrophobicContact CD2-CD 3.41Å; W186-K274 VanDerWaalsContact CD2-CD 3.41Å; W186-K274 HydrophobicContact CD2-CG 4.43Å; W186-K274 HydrophobicContact CE3-CB 3.9Å; W186-K274 HydrophobicContact CE3-CD 3.5Å; W186-K274 HydrophobicContact CE3-CG 4.21Å; W186-K274 HydrophobicContact CG-CB 4.4Å; W186-K274 HydrophobicContact CG-CD 3.92Å; W186-K274 HydrophobicContact CH2-CD 3.94Å; W186-K274 HydrophobicContact CZ2-CD 3.89Å; W186-K274 HydrophobicContact CZ3-CD 3.77Å
187	K	98.7	Very high	97.1	Very high	136 Å²	136	58.2 Å²	58.2	59%	0.591	31%	0.311	S	S	*	.	H	α-helix	trans	-62.4	-44.8	-176.9	179.9	-176.8	175.1	-175	0	110.9	D185 K190 Q191	D185-K187 VanDerWaalsContact C-N 3.28Å; D185-K187 PolarHBondContact O-N 2.81Å; D185-K187 WeakPolarHBondContact OD1-CB 3.22Å; D185-K187 PolarHBondContact OD1-N 3.28Å; D185-K187 VanDerWaalsContact OD1-N 3.13Å; K187-K190 PolarHBondContact O-N 3.06Å; K187-Q191 WeakPolarHBondContact O-CB 3.41Å; K187-Q191 WeakPolarHBondContact O-CG 3.48Å; K187-Q191 PolarHBondContact O-N 2.85Å
188	Q	98.8	Very high	97.2	Very high	57 Å²	57	57.4 Å²	57.4	27%	0.266	31%	0.309	S	S	.	.	H	α-helix	trans	-67.3	-42.3	177.1	-72.2	-175.5	64.5	0	0	111.9	Q184 D185 W186 K190 Q191 G192 F193	Q184-Q188 HydrophobicContact CB-CB 3.82Å; Q184-Q188 HydrophobicContact CG-CB 4.45Å; Q184-Q188 VanDerWaalsContact OE1-CD 3.23Å; D185-Q188 PolarHBondContact O-N 3.34Å; D185-Q188 WeakPolarHBondContact OD1-CG 3.28Å; D185-Q188 PolarHBondContact OD1-N 3.3Å; D185-Q188 PolarHBondContact OD2-NE2 3.03Å; W186-Q188 PolarHBondContact O-N 2.81Å; Q188-K190 VanDerWaalsContact C-N 3.28Å; Q188-K190 PolarHBondContact O-N 2.96Å; Q188-Q191 PolarHBondContact O-N 2.88Å; Q188-G192 CarbonylContact O-C 3.58Å; Q188-G192 WeakPolarHBondContact O-CA 3.3Å; Q188-G192 PolarHBondContact O-N 3.04Å; Q188-F193 HydrophobicContact CB-CD1 4.15Å
189	Y	98.9	Very high	97.5	Very high	0 Å²	0	56 Å²	56	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-64.4	-33.4	175.1	-93.6	-74.4	0	0	0	113.1	F182 Q184 D185 W186 F193 W201 G203 N204 F269 T271 G290	F182-Y189 WeakPolarHBondContact O-CE2 3.41Å; F182-Y189 PolarHBondContact O-OH 3.17Å; Q184-Y189 HydrophobicContact CB-CD2 4.02Å; Q184-Y189 HydrophobicContact CB-CE2 3.92Å; D185-Y189 PolarHBondContact O-N 2.88Å; W186-Y189 PolarHBondContact O-N 2.83Å; Y189-F193 AromaticContact CD1-CE1 3.84Å; Y189-F193 HydrophobicContact CD1-CE1 3.84Å; Y189-F193 HydrophobicContact CD1-CZ 4.44Å; Y189-F193 HydrophobicContact CD2-CE1 4.11Å; Y189-F193 AromaticContact CE1-CE1 3.74Å; Y189-F193 HydrophobicContact CE1-CE1 3.74Å; Y189-F193 AromaticContact CE1-CZ 3.88Å; Y189-F193 HydrophobicContact CE1-CZ 3.88Å; Y189-F193 HydrophobicContact CE2-CE1 4.03Å; Y189-F193 HydrophobicContact CE2-CZ 4.21Å; Y189-F193 HydrophobicContact CG-CE1 4.02Å; Y189-F193 AromaticContact CZ-CE1 3.85Å; Y189-F193 AromaticContact CZ-CZ 3.76Å; Y189-W201 AromaticContact CD1-CD1 3.56Å; Y189-W201 HydrophobicContact CD1-CD2 4.18Å; Y189-W201 AromaticContact CD1-CE2 3.95Å; Y189-W201 AromaticContact CD1-CG 3.96Å; Y189-W201 HydrophobicContact CD1-CG 3.96Å; Y189-W201 AromaticContact CD1-NE1 3.56Å; Y189-W201 HydrophobicContact CE1-CD2 4.08Å; Y189-W201 AromaticContact CE1-CG 4Å; Y189-W201 HydrophobicContact CE1-CG 4Å; Y189-W201 PolarHBondContact O-NE1 3.25Å; Y189-G203 CarbonylContact O-C 3.53Å; Y189-G203 WeakPolarHBondContact O-CA 3.45Å; Y189-N204 VanDerWaalsContact O-CG 3.29Å; Y189-N204 PolarHBondContact O-N 2.92Å; Y189-N204 PolarHBondContact O-OD1 3.33Å; Y189-F269 AromaticContact CD1-CE1 3.63Å; Y189-F269 HydrophobicContact CD1-CE1 3.63Å; Y189-F269 AromaticContact CD1-CZ 3.41Å; Y189-F269 HydrophobicContact CD1-CZ 3.41Å; Y189-F269 VanDerWaalsContact CD1-CZ 3.41Å; Y189-F269 HydrophobicContact CD2-CE1 4.29Å; Y189-F269 HydrophobicContact CE1-CE1 4.28Å; Y189-F269 AromaticContact CE1-CZ 3.76Å; Y189-F269 HydrophobicContact CE1-CZ 3.76Å; Y189-F269 AromaticContact CG-CE1 3.64Å; Y189-F269 HydrophobicContact CG-CE1 3.64Å; Y189-F269 AromaticContact CG-CZ 3.94Å; Y189-F269 HydrophobicContact CG-CZ 3.94Å; Y189-T271 HydrophobicContact CD2-CG2 3.55Å; Y189-T271 HydrophobicContact CE2-CG2 4.29Å; Y189-T271 HydrophobicContact CG-CG2 3.99Å; Y189-G290 VanDerWaalsContact CE2-CA 3.43Å; Y189-G290 VanDerWaalsContact CE2-N 3.29Å; Y189-G290 VanDerWaalsContact CZ-CA 3.43Å; Y189-G290 PolarHBondContact OH-N 3.37Å
190	K	98.5	Very high	97.7	Very high	61 Å²	61	49.3 Å²	49.3	27%	0.265	26%	0.259	S	S	.	.	H	α-helix	trans	-64.4	-50.2	172.5	170.2	170.9	-177.2	-178.6	0	112.2	W186 K187 Q188 G203 N204 E205 E241 Y245	W186-K190 VanDerWaalsContact O-CB 3.31Å; W186-K190 WeakPolarHBondContact O-CB 3.38Å; W186-K190 PolarHBondContact O-N 3.2Å; K187-K190 PolarHBondContact O-N 3.06Å; Q188-K190 VanDerWaalsContact C-N 3.28Å; Q188-K190 PolarHBondContact O-N 2.96Å; K190-G203 CarbonylContact O-C 3.56Å; K190-G203 WeakPolarHBondContact O-CA 3.33Å; K190-N204 PolarHBondContact O-N 3.24Å; K190-E205 HydrophobicContact CG-CB 4.4Å; K190-E205 PolarHBondContact O-N 2.91Å; K190-E241 WeakPolarHBondContact CD-OE1 3.47Å; K190-E241 WeakPolarHBondContact CE-OE2 3.18Å; K190-E241 VanDerWaalsContact NZ-CD 3.35Å; K190-E241 IonicContact NZ-OE1 3.21Å; K190-E241 PolarHBondContact NZ-OE1 3.31Å; K190-E241 IonicContact NZ-OE2 2.7Å; K190-E241 PolarHBondContact NZ-OE2 3.02Å; K190-Y245 WeakPolarHBondContact CD-OH 3.21Å; K190-Y245 WeakPolarHBondContact CG-OH 3.41Å
191	Q	97.6	Very high	97.8	Very high	116 Å²	116	47.7 Å²	47.7	54%	0.542	25%	0.249	S	C	.	.	H	α-helix	trans	-81.4	-25.3	-173.4	-68	179.1	-16.8	0	0	113.9	K187 Q188	K187-Q191 WeakPolarHBondContact O-CB 3.41Å; K187-Q191 WeakPolarHBondContact O-CG 3.48Å; K187-Q191 PolarHBondContact O-N 2.85Å; Q188-Q191 PolarHBondContact O-N 2.88Å
192	G	98.3	Very high	97.8	Very high	23 Å²	23	44.7 Å²	44.7	24%	0.237	23%	0.227	C	C	.	.			trans	93.1	156.4	-169.4	0	0	0	0	0	112.3	Q188 W201 G203	Q188-G192 CarbonylContact O-C 3.58Å; Q188-G192 WeakPolarHBondContact O-CA 3.3Å; Q188-G192 PolarHBondContact O-N 3.04Å; G192-W201 CarbonylContact C-O 3.56Å; G192-W201 WeakPolarHBondContact CA-O 3.13Å; G192-G203 VanDerWaalsContact CA-CA 3.48Å
193	F	98.6	Very high	97.8	Very high	26 Å²	26	44.4 Å²	44.4	11%	0.114	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	165	-179.3	60.2	-95.2	0	0	0	111.7	V180 F182 Q184 Q188 Y189 F200 W201	V180-F193 HydrophobicContact CG1-CD2 3.86Å; V180-F193 HydrophobicContact CG1-CE2 4.17Å; F182-F193 HydrophobicContact CB-CE2 4.46Å; F182-F193 HydrophobicContact CB-CZ 4.4Å; F182-F193 AromaticContact CD1-CE2 3.97Å; F182-F193 HydrophobicContact CD1-CE2 3.97Å; F182-F193 AromaticContact CD1-CZ 3.85Å; F182-F193 HydrophobicContact CD1-CZ 3.85Å; F182-F193 AromaticContact CD2-CE2 3.86Å; F182-F193 HydrophobicContact CD2-CE2 3.86Å; F182-F193 HydrophobicContact CD2-CZ 4.48Å; F182-F193 HydrophobicContact CE1-CE2 4.1Å; F182-F193 HydrophobicContact CE1-CZ 4.19Å; F182-F193 AromaticContact CE2-CE2 3.98Å; F182-F193 HydrophobicContact CE2-CE2 3.98Å; F182-F193 AromaticContact CG-CE2 3.84Å; F182-F193 HydrophobicContact CG-CE2 3.84Å; F182-F193 HydrophobicContact CG-CZ 4.01Å; F182-F193 HydrophobicContact CZ-CE2 4.1Å; Q184-F193 HydrophobicContact CB-CD1 4.36Å; Q184-F193 HydrophobicContact CB-CE1 4.05Å; Q184-F193 HydrophobicContact CB-CZ 4.36Å; Q184-F193 HydrophobicContact CG-CD1 4.09Å; Q184-F193 HydrophobicContact CG-CD2 4.17Å; Q184-F193 HydrophobicContact CG-CE1 3.92Å; Q184-F193 HydrophobicContact CG-CE2 4.02Å; Q184-F193 HydrophobicContact CG-CG 4.21Å; Q184-F193 HydrophobicContact CG-CZ 3.89Å; Q188-F193 HydrophobicContact CB-CD1 4.15Å; Y189-F193 AromaticContact CD1-CE1 3.84Å; Y189-F193 HydrophobicContact CD1-CE1 3.84Å; Y189-F193 HydrophobicContact CD1-CZ 4.44Å; Y189-F193 HydrophobicContact CD2-CE1 4.11Å; Y189-F193 AromaticContact CE1-CE1 3.74Å; Y189-F193 HydrophobicContact CE1-CE1 3.74Å; Y189-F193 AromaticContact CE1-CZ 3.88Å; Y189-F193 HydrophobicContact CE1-CZ 3.88Å; Y189-F193 HydrophobicContact CE2-CE1 4.03Å; Y189-F193 HydrophobicContact CE2-CZ 4.21Å; Y189-F193 HydrophobicContact CG-CE1 4.02Å; Y189-F193 AromaticContact CZ-CE1 3.85Å; Y189-F193 AromaticContact CZ-CZ 3.76Å; F193-F200 VanDerWaalsContact O-CA 3.27Å; F193-F200 WeakPolarHBondContact O-CA 3.26Å; F193-F200 WeakPolarHBondContact O-CB 3.45Å; F193-W201 HydrophobicContact CD1-CB 4.08Å; F193-W201 HydrophobicContact CE1-CB 3.64Å; F193-W201 HydrophobicContact CE1-CG 4.12Å; F193-W201 HydrophobicContact CE2-CB 4.1Å; F193-W201 HydrophobicContact CZ-CB 3.64Å; F193-W201 HydrophobicContact CZ-CG 4.42Å; F193-W201 PolarHBondContact N-O 2.79Å; F193-W201 PolarHBondContact O-N 3.19Å
194	G	97.6	Very high	97.8	Very high	49 Å²	49	41 Å²	41	51%	0.505	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	91.8	-153.5	-178.2	0	0	0	0	0	112.3	D199	G194-D199 WeakPolarHBondContact CA-O 3.37Å
195	S	96.1	Very high	97.7	Very high	64 Å²	64	43 Å²	43	45%	0.448	22%	0.222	S	C	.	.			trans	-130	131.3	179.7	177.7	0	0	0	0	110.5	R197 G198 D199 F200	S195-R197 PolarHBondContact O-N 3.47Å; S195-R197 PolarHBondContact OG-N 3.43Å; S195-G198 CarbonylContact O-C 3.47Å; S195-G198 VanDerWaalsContact O-C 3.31Å; S195-G198 WeakPolarHBondContact O-CA 3.49Å; S195-G198 PolarHBondContact O-N 3.02Å; S195-D199 PolarHBondContact N-O 3.29Å; S195-D199 VanDerWaalsContact N-O 3.09Å; S195-F200 WeakPolarHBondContact O-CB 3.44Å; S195-F200 WeakPolarHBondContact O-CD1 3.45Å
196	I	95.4	Very high	97.5	Very high	22 Å²	22	42.7 Å²	42.7	11%	0.113	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-26	177.6	-59.3	-59.7	0	0	0	112.2	V142 E157 F159 R174 F200 L202	V142-I196 HydrophobicContact CG1-CG2 4.14Å; V142-I196 HydrophobicContact CG2-CG2 3.98Å; E157-I196 HydrophobicContact CB-CG1 4.43Å; E157-I196 HydrophobicContact CG-CG1 4.18Å; E157-I196 WeakPolarHBondContact O-CD1 3.27Å; F159-I196 HydrophobicContact CB-CG2 3.76Å; F159-I196 HydrophobicContact CD2-CG2 4.49Å; R174-I196 PolarHBondContact NH1-O 3.39Å; I196-F200 HydrophobicContact CD1-CD2 3.76Å; I196-F200 HydrophobicContact CD1-CE2 3.75Å; I196-F200 HydrophobicContact CD1-CG 4.22Å; I196-F200 HydrophobicContact CD1-CZ 4.2Å; I196-L202 HydrophobicContact CD1-CD1 4.26Å
197	R	93.1	Very high	97.5	Very high	185 Å²	185	41.8 Å²	41.8	70%	0.698	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88	-15.9	174	-66	-175.3	176.5	130.6	0.7	114.1	V142 K176 S195	V142-R197 HydrophobicContact CG2-CG 3.88Å; K176-R197 WeakPolarHBondContact CE-O 3.34Å; K176-R197 PolarHBondContact NZ-O 2.99Å; S195-R197 PolarHBondContact O-N 3.47Å; S195-R197 PolarHBondContact OG-N 3.43Å
198	G	95.4	Very high	97.3	Very high	18 Å²	18	37 Å²	37	19%	0.186	20%	0.195	C	C	.	.	S	Bend	trans	-113.9	-141.6	-176.7	0	0	0	0	0	112.2	R174 S195	R174-G198 WeakPolarHBondContact CD-O 3.41Å; S195-G198 CarbonylContact O-C 3.47Å; S195-G198 VanDerWaalsContact O-C 3.31Å; S195-G198 WeakPolarHBondContact O-CA 3.49Å; S195-G198 PolarHBondContact O-N 3.02Å
199	D	98.2	Very high	97	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.005	19%	0.188	C	C	.	.	S	Bend	trans	-84.2	134	169.6	-65.7	14.6	0	0	0	108.7	R174 K176 S177 G178 V180 F182 G194 S195	R174-D199 CarbonylContact O-C 3.41Å; R174-D199 WeakPolarHBondContact O-CA 3.38Å; K176-D199 WeakPolarHBondContact CG-OD1 3.43Å; K176-D199 PolarHBondContact N-OD1 3.26Å; S177-D199 PolarHBondContact N-OD1 3.27Å; S177-D199 PolarHBondContact N-OD2 2.83Å; S177-D199 PolarHBondContact OG-OD1 2.84Å; S177-D199 PolarHBondContact OG-OD2 2.93Å; G178-D199 PolarHBondContact N-OD2 2.85Å; V180-D199 HydrophobicContact CB-CB 4.02Å; V180-D199 HydrophobicContact CG2-CB 4.14Å; F182-D199 HydrophobicContact CE2-CB 4.11Å; G194-D199 WeakPolarHBondContact CA-O 3.37Å; S195-D199 PolarHBondContact N-O 3.29Å; S195-D199 VanDerWaalsContact N-O 3.09Å
200	F	98.7	Very high	96.6	Very high	2 Å²	2	35.7 Å²	35.7	1%	0.009	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	161	-178.9	74.5	-83.8	0	0	0	113.8	I171 Q173 R174 F182 F193 S195 I196 L202	I171-F200 HydrophobicContact CB-CZ 4.14Å; I171-F200 HydrophobicContact CG2-CE1 4.12Å; I171-F200 HydrophobicContact CG2-CZ 3.67Å; I171-F200 WeakPolarHBondContact O-CZ 3.37Å; Q173-F200 WeakPolarHBondContact CA-O 3.26Å; R174-F200 HydrophobicContact CB-CD1 3.84Å; R174-F200 HydrophobicContact CB-CE1 3.66Å; R174-F200 PolarHBondContact N-O 3.48Å; R174-F200 PolarHBondContact O-N 3.29Å; F182-F200 WeakPolarHBondContact CZ-O 3.01Å; F193-F200 VanDerWaalsContact O-CA 3.27Å; F193-F200 WeakPolarHBondContact O-CA 3.26Å; F193-F200 WeakPolarHBondContact O-CB 3.45Å; S195-F200 WeakPolarHBondContact O-CB 3.44Å; S195-F200 WeakPolarHBondContact O-CD1 3.45Å; I196-F200 HydrophobicContact CD1-CD2 3.76Å; I196-F200 HydrophobicContact CD1-CE2 3.75Å; I196-F200 HydrophobicContact CD1-CG 4.22Å; I196-F200 HydrophobicContact CD1-CZ 4.2Å; F200-L202 HydrophobicContact CE2-CB 4.22Å; F200-L202 HydrophobicContact CE2-CD1 4.46Å
201	W	98.8	Very high	96.3	Very high	2 Å²	2	32.8 Å²	32.8	1%	0.008	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	125.7	162.6	-179.4	-105.6	0	0	0	108	Q173 F182 Y189 G192 F193 G203 N204 I207 F269 W292 M335	Q173-W201 HydrophobicContact CB-CE3 3.65Å; Q173-W201 HydrophobicContact CB-CZ3 3.71Å; Q173-W201 HydrophobicContact CG-CE3 3.5Å; Q173-W201 HydrophobicContact CG-CZ3 3.76Å; F182-W201 HydrophobicContact CE1-CB 4.26Å; Y189-W201 AromaticContact CD1-CD1 3.56Å; Y189-W201 HydrophobicContact CD1-CD2 4.18Å; Y189-W201 AromaticContact CD1-CE2 3.95Å; Y189-W201 AromaticContact CD1-CG 3.96Å; Y189-W201 HydrophobicContact CD1-CG 3.96Å; Y189-W201 AromaticContact CD1-NE1 3.56Å; Y189-W201 HydrophobicContact CE1-CD2 4.08Å; Y189-W201 AromaticContact CE1-CG 4Å; Y189-W201 HydrophobicContact CE1-CG 4Å; Y189-W201 PolarHBondContact O-NE1 3.25Å; G192-W201 CarbonylContact C-O 3.56Å; G192-W201 WeakPolarHBondContact CA-O 3.13Å; F193-W201 HydrophobicContact CD1-CB 4.08Å; F193-W201 HydrophobicContact CE1-CB 3.64Å; F193-W201 HydrophobicContact CE1-CG 4.12Å; F193-W201 HydrophobicContact CE2-CB 4.1Å; F193-W201 HydrophobicContact CZ-CB 3.64Å; F193-W201 HydrophobicContact CZ-CG 4.42Å; F193-W201 PolarHBondContact N-O 2.79Å; F193-W201 PolarHBondContact O-N 3.19Å; W201-G203 VanDerWaalsContact CD1-N 3.29Å; W201-G203 PolarHBondContact O-N 3.22Å; W201-N204 VanDerWaalsContact CE2-OD1 3.28Å; W201-N204 WeakPolarHBondContact CZ2-OD1 3.48Å; W201-N204 PolarHBondContact NE1-OD1 3.3Å; W201-I207 HydrophobicContact CD2-CD1 4.35Å; W201-I207 HydrophobicContact CH2-CD1 3.91Å; W201-I207 HydrophobicContact CZ2-CD1 3.43Å; W201-I207 VanDerWaalsContact CZ2-CD1 3.43Å; W201-F269 HydrophobicContact CZ2-CE2 4.22Å; W201-F269 HydrophobicContact CZ2-CZ 4.37Å; W201-W292 AromaticContact CH2-CH2 3.78Å; W201-W292 HydrophobicContact CH2-CH2 3.78Å; W201-W292 HydrophobicContact CH2-CZ2 4.49Å; W201-W292 HydrophobicContact CH2-CZ3 4.35Å; W201-W292 HydrophobicContact CZ2-CH2 4.37Å; W201-M335 HydrophobicContact CZ3-SD 4.32Å
202	L	98.5	Very high	95.8	Very high	8 Å²	8	32.5 Å²	32.5	4%	0.042	17%	0.17	C	C	.	.			trans	-65	-28.6	-173.4	-173.6	65.4	0	0	0	112.6	L156 V158 I172 I196 F200 H206 I207 L210	L156-L202 HydrophobicContact CD1-CD1 4.06Å; L156-L202 HydrophobicContact CD2-CD1 4.29Å; L156-L202 HydrophobicContact CD2-CD2 4.34Å; L156-L202 HydrophobicContact CG-CD1 4.39Å; V158-L202 HydrophobicContact CG1-CD1 4.2Å; I172-L202 HydrophobicContact CB-CB 4.33Å; I172-L202 HydrophobicContact CB-CD2 4.35Å; I172-L202 HydrophobicContact CG2-CD2 3.85Å; I172-L202 VanDerWaalsContact O-CB 3.3Å; I172-L202 WeakPolarHBondContact O-CB 3.37Å; I172-L202 PolarHBondContact O-N 3.21Å; I196-L202 HydrophobicContact CD1-CD1 4.26Å; F200-L202 HydrophobicContact CE2-CB 4.22Å; F200-L202 HydrophobicContact CE2-CD1 4.46Å; L202-H206 HydrophobicContact CD2-CB 4.32Å; L202-H206 HydrophobicContact CG-CB 4.04Å; L202-H206 PolarHBondContact O-CD2 2.74Å; L202-H206 VanDerWaalsContact O-CD2 3.27Å; L202-I207 HydrophobicContact CB-CD1 4.37Å; L202-I207 HydrophobicContact CB-CG1 4.15Å; L202-I207 HydrophobicContact CD2-CG1 4.27Å; L202-L210 HydrophobicContact CD2-CD1 3.8Å
203	G	98.4	Very high	95.2	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.168	C	C	.	.			trans	111.5	131.1	-177.3	0	0	0	0	0	111.8	Y189 K190 G192 W201 E205 H206 I207	Y189-G203 CarbonylContact O-C 3.53Å; Y189-G203 WeakPolarHBondContact O-CA 3.45Å; K190-G203 CarbonylContact O-C 3.56Å; K190-G203 WeakPolarHBondContact O-CA 3.33Å; G192-G203 VanDerWaalsContact CA-CA 3.48Å; W201-G203 VanDerWaalsContact CD1-N 3.29Å; W201-G203 PolarHBondContact O-N 3.22Å; G203-E205 PolarHBondContact O-N 2.89Å; G203-H206 PolarHBondContact O-N 3.21Å; G203-H206 VanDerWaalsContact O-N 3.1Å; G203-I207 VanDerWaalsContact O-CG1 3.27Å; G203-I207 WeakPolarHBondContact O-CG1 3.37Å; G203-I207 PolarHBondContact O-N 3.39Å
204	N	98.5	Very high	94.6	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-60.6	-34.8	-174.8	-63.6	-10.2	0	0	0	111.9	Y189 K190 W201 I207 H208 Y245 F269	Y189-N204 VanDerWaalsContact O-CG 3.29Å; Y189-N204 PolarHBondContact O-N 2.92Å; Y189-N204 PolarHBondContact O-OD1 3.33Å; K190-N204 PolarHBondContact O-N 3.24Å; W201-N204 VanDerWaalsContact CE2-OD1 3.28Å; W201-N204 WeakPolarHBondContact CZ2-OD1 3.48Å; W201-N204 PolarHBondContact NE1-OD1 3.3Å; N204-I207 PolarHBondContact O-N 3.06Å; N204-H208 VanDerWaalsContact O-CB 3.22Å; N204-H208 WeakPolarHBondContact O-CB 3.22Å; N204-H208 PolarHBondContact O-N 3.29Å; N204-Y245 HydrophobicContact CB-CD1 3.66Å; N204-Y245 HydrophobicContact CB-CD2 3.6Å; N204-Y245 HydrophobicContact CB-CE1 3.74Å; N204-Y245 HydrophobicContact CB-CE2 3.66Å; N204-Y245 HydrophobicContact CB-CG 3.6Å; N204-Y245 WeakPolarHBondContact ND2-CD2 3.43Å; N204-F269 WeakPolarHBondContact ND2-CD1 3.32Å; N204-F269 WeakPolarHBondContact ND2-CE1 3.49Å
205	E	95.8	Very high	94.5	Very high	75 Å²	75	33.6 Å²	33.6	35%	0.35	16%	0.162	S	C	.	.	H	α-helix	trans	-66.2	-42.1	177.6	-161.5	60.6	-146.2	0	0	111.5	K190 G203 R209 Y245	K190-E205 HydrophobicContact CG-CB 4.4Å; K190-E205 PolarHBondContact O-N 2.91Å; G203-E205 PolarHBondContact O-N 2.89Å; E205-R209 WeakPolarHBondContact O-CB 3.41Å; E205-R209 PolarHBondContact O-N 3.35Å; E205-Y245 WeakPolarHBondContact OE2-CE1 3.25Å; E205-Y245 PolarHBondContact OE2-OH 3.48Å
206	H	95.6	Very high	94.5	Very high	32 Å²	32	32.9 Å²	32.9	15%	0.148	15%	0.15	C	C	.	.	H	α-helix	trans	-68.5	-40.6	177.4	-64.5	-50.2	0	0	0	111.9	L156 L202 G203 R209 L210	L156-H206 HydrophobicContact CD1-CB 4.37Å; L156-H206 HydrophobicContact CD2-CB 3.91Å; L202-H206 HydrophobicContact CD2-CB 4.32Å; L202-H206 HydrophobicContact CG-CB 4.04Å; L202-H206 PolarHBondContact O-CD2 2.74Å; L202-H206 VanDerWaalsContact O-CD2 3.27Å; G203-H206 PolarHBondContact O-N 3.21Å; G203-H206 VanDerWaalsContact O-N 3.1Å; H206-R209 PolarHBondContact O-N 3.17Å; H206-L210 VanDerWaalsContact O-CG 3.26Å; H206-L210 WeakPolarHBondContact O-CG 3.47Å; H206-L210 PolarHBondContact O-N 3.19Å
207	I	97.2	Very high	94.6	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-67.5	-46	177.7	-60.4	164.1	0	0	0	110.3	I172 W201 L202 G203 N204 R209 L210 S211 F236 L238	I172-I207 HydrophobicContact CB-CD1 3.99Å; I172-I207 HydrophobicContact CB-CG1 3.9Å; I172-I207 HydrophobicContact CD1-CD1 4.25Å; I172-I207 HydrophobicContact CD1-CG1 4.44Å; I172-I207 HydrophobicContact CD1-CG2 4.04Å; I172-I207 HydrophobicContact CG2-CG1 4Å; W201-I207 HydrophobicContact CD2-CD1 4.35Å; W201-I207 HydrophobicContact CH2-CD1 3.91Å; W201-I207 HydrophobicContact CZ2-CD1 3.43Å; W201-I207 VanDerWaalsContact CZ2-CD1 3.43Å; L202-I207 HydrophobicContact CB-CD1 4.37Å; L202-I207 HydrophobicContact CB-CG1 4.15Å; L202-I207 HydrophobicContact CD2-CG1 4.27Å; G203-I207 VanDerWaalsContact O-CG1 3.27Å; G203-I207 WeakPolarHBondContact O-CG1 3.37Å; G203-I207 PolarHBondContact O-N 3.39Å; N204-I207 PolarHBondContact O-N 3.06Å; I207-R209 VanDerWaalsContact C-N 3.31Å; I207-R209 PolarHBondContact O-N 2.96Å; I207-L210 PolarHBondContact O-N 2.75Å; I207-S211 WeakPolarHBondContact O-CB 3.37Å; I207-S211 PolarHBondContact O-N 3.13Å; I207-S211 PolarHBondContact O-OG 2.77Å; I207-F236 HydrophobicContact CG2-CE1 3.68Å; I207-F236 HydrophobicContact CG2-CZ 3.85Å; I207-L238 HydrophobicContact CB-CD1 3.82Å; I207-L238 HydrophobicContact CG2-CD1 3.41Å; I207-L238 VanDerWaalsContact CG2-CD1 3.41Å; I207-L238 HydrophobicContact CG2-CG 3.97Å
208	H	94.9	Very high	94.9	Very high	36 Å²	36	24.1 Å²	24.1	17%	0.167	12%	0.116	C	C	.	.	H	α-helix	trans	-53.7	-49.2	173.5	170.1	58.3	0	0	0	111.1	N204 L210 S211 R212 L238 G239 Y245	N204-H208 VanDerWaalsContact O-CB 3.22Å; N204-H208 WeakPolarHBondContact O-CB 3.22Å; N204-H208 PolarHBondContact O-N 3.29Å; H208-L210 VanDerWaalsContact C-N 3.33Å; H208-L210 PolarHBondContact O-N 2.95Å; H208-S211 CarbonylContact O-C 3.47Å; H208-S211 PolarHBondContact O-N 3.42Å; H208-S211 PolarHBondContact O-OG 2.94Å; H208-R212 WeakPolarHBondContact O-CG 3.49Å; H208-R212 PolarHBondContact O-N 2.91Å; H208-L238 HydrophobicContact CB-CB 4.3Å; H208-L238 PolarHBondContact ND1-O 3.05Å; H208-G239 PolarHBondContact ND1-O 2.97Å; H208-Y245 HydrophobicContact CB-CD1 4.37Å; H208-Y245 HydrophobicContact CB-CE1 4.46Å
209	R	91.9	Very high	95.1	Very high	28 Å²	28	23.3 Å²	23.3	11%	0.106	11%	0.107	C	C	.	.	H	α-helix	trans	-56.1	-46.4	178.5	-176.8	-174.2	66.4	144.1	1.6	112.2	S153 E205 H206 I207 R212	S153-R209 VanDerWaalsContact CB-CD 3.5Å; S153-R209 WeakPolarHBondContact OG-CD 3.41Å; S153-R209 PolarHBondContact OG-NH1 2.67Å; E205-R209 WeakPolarHBondContact O-CB 3.41Å; E205-R209 PolarHBondContact O-N 3.35Å; H206-R209 PolarHBondContact O-N 3.17Å; I207-R209 VanDerWaalsContact C-N 3.31Å; I207-R209 PolarHBondContact O-N 2.96Å; R209-R212 PolarHBondContact O-NE 2.84Å
210	L	92.3	Very high	95.1	Very high	2 Å²	2	25.3 Å²	25.3	1%	0.01	12%	0.116	C	C	.	.	H	α-helix	trans	-71.8	-30.4	-178.5	-69.1	170	0	0	0	112.4	I126 D128 L145 L156 T170 L202 H206 I207 H208 R212 I337	I126-L210 HydrophobicContact CG2-CD2 3.89Å; D128-L210 HydrophobicContact CB-CD2 4.07Å; L145-L210 HydrophobicContact CD1-CD2 4.44Å; L156-L210 HydrophobicContact CD2-CD1 4.37Å; T170-L210 HydrophobicContact CG2-CD1 4.15Å; L202-L210 HydrophobicContact CD2-CD1 3.8Å; H206-L210 VanDerWaalsContact O-CG 3.26Å; H206-L210 WeakPolarHBondContact O-CG 3.47Å; H206-L210 PolarHBondContact O-N 3.19Å; I207-L210 PolarHBondContact O-N 2.75Å; H208-L210 VanDerWaalsContact C-N 3.33Å; H208-L210 PolarHBondContact O-N 2.95Å; L210-R212 VanDerWaalsContact C-N 3.34Å; L210-I337 HydrophobicContact CB-CD1 3.73Å; L210-I337 HydrophobicContact CD1-CD1 4.3Å
211	S	92.4	Very high	95	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91	15.8	179.4	77.3	0	0	0	0	113.9	I207 H208 Q213 L238	I207-S211 WeakPolarHBondContact O-CB 3.37Å; I207-S211 PolarHBondContact O-N 3.13Å; I207-S211 PolarHBondContact O-OG 2.77Å; H208-S211 CarbonylContact O-C 3.47Å; H208-S211 PolarHBondContact O-N 3.42Å; H208-S211 PolarHBondContact O-OG 2.94Å; S211-Q213 VanDerWaalsContact C-N 3.32Å; S211-Q213 CarbonylContact C-O 3.56Å; S211-L238 PolarHBondContact OG-N 2.88Å; S211-L238 VanDerWaalsContact OG-N 3.09Å
212	R	86.5	Confident	95	Very high	110 Å²	110	26.2 Å²	26.2	42%	0.415	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-27.3	175.7	-77.8	179.1	-59.9	163.9	11.3	112.6	I126 L151 H208 R209 L210	I126-R212 HydrophobicContact CD1-CB 4.05Å; L151-R212 VanDerWaalsContact CD1-NH1 3.28Å; H208-R212 WeakPolarHBondContact O-CG 3.49Å; H208-R212 PolarHBondContact O-N 2.91Å; R209-R212 PolarHBondContact O-NE 2.84Å; L210-R212 VanDerWaalsContact C-N 3.34Å
213	Q	84.3	Confident	95	Very high	42 Å²	42	25.9 Å²	25.9	20%	0.196	12%	0.119	C	C	.	.	S	Bend	trans	-88.9	155.1	169.1	66	-169.7	-10.7	0	0	110.4	I126 D128 S211 T215	I126-Q213 HydrophobicContact CD1-CB 3.91Å; I126-Q213 HydrophobicContact CD1-CG 3.72Å; D128-Q213 PolarHBondContact OD2-NE2 3.43Å; S211-Q213 VanDerWaalsContact C-N 3.32Å; S211-Q213 CarbonylContact C-O 3.56Å; Q213-T215 WeakPolarHBondContact O-CB 3.11Å; Q213-T215 PolarHBondContact O-N 2.68Å; Q213-T215 PolarHBondContact O-OG1 3.44Å
214	P	87.1	Confident	94.9	Very high	76 Å²	76	29 Å²	29	49%	0.494	13%	0.131	S	C	.	.			trans	-51	113.7	172.6	-25.7	35.1	0	0	0	111	E340	P214-E340 WeakPolarHBondContact CA-OE1 3.44Å; P214-E340 HydrophobicContact CB-CB 4.24Å; P214-E340 HydrophobicContact CB-CG 4.16Å; P214-E340 WeakPolarHBondContact CB-OE1 3.39Å; P214-E340 PolarHBondContact O-N 2.89Å
215	T	94.4	Very high	94.9	Very high	2 Å²	2	35 Å²	35	1%	0.012	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	138.7	-168.9	-63.3	0	0	0	0	108.7	Q213 H235 F236 I337 R338 E340	Q213-T215 WeakPolarHBondContact O-CB 3.11Å; Q213-T215 PolarHBondContact O-N 2.68Å; Q213-T215 PolarHBondContact O-OG1 3.44Å; T215-H235 CarbonylContact O-C 3.57Å; T215-H235 WeakPolarHBondContact O-CA 3.48Å; T215-F236 PolarHBondContact O-N 2.83Å; T215-I337 HydrophobicContact CG2-CB 3.62Å; T215-I337 HydrophobicContact CG2-CD1 4.28Å; T215-I337 HydrophobicContact CG2-CG1 4.28Å; T215-I337 HydrophobicContact CG2-CG2 4.32Å; T215-R338 WeakPolarHBondContact CG2-O 3.33Å; T215-E340 PolarHBondContact N-OE1 3.07Å
216	R	97.1	Very high	94.9	Very high	50 Å²	50	33.3 Å²	33.3	19%	0.189	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	151	171.2	50	174	163.3	-167.4	-12.1	111	W169 Y233 I337 R338 P339 E340	W169-R216 HydrophobicContact CH2-CG 4.18Å; W169-R216 HydrophobicContact CZ3-CG 4.24Å; R216-Y233 VanDerWaalsContact CA-O 3.31Å; R216-Y233 WeakPolarHBondContact CA-O 3.48Å; R216-Y233 VanDerWaalsContact CB-O 3.24Å; R216-Y233 WeakPolarHBondContact CB-O 3.19Å; R216-I337 VanDerWaalsContact O-CA 3.29Å; R216-I337 WeakPolarHBondContact O-CA 3.38Å; R216-R338 HydrophobicContact CG-CB 4.43Å; R216-R338 WeakPolarHBondContact CG-O 3.45Å; R216-R338 VanDerWaalsContact CZ-NE 3.33Å; R216-R338 PolarHBondContact N-O 3.24Å; R216-R338 VanDerWaalsContact NH1-NH2 3.2Å; R216-R338 VanDerWaalsContact NH2-NH2 3.2Å; R216-R338 PolarHBondContact O-N 3.05Å; R216-P339 PolarHBondContact NE-O 2.57Å; R216-E340 HydrophobicContact CB-CG 4.5Å
217	L	98.5	Very high	95	Very high	2 Å²	2	35.7 Å²	35.7	1%	0.01	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	136.3	173.1	171.4	69.2	0	0	0	109.5	I172 V219 E232 Y233 F236 L249 L261 M335 I337	I172-L217 HydrophobicContact CD1-CD1 4.31Å; L217-V219 HydrophobicContact CD1-CG2 4.35Å; L217-V219 HydrophobicContact CD2-CG2 4.07Å; L217-V219 HydrophobicContact CG-CG2 4.08Å; L217-E232 CarbonylContact O-C 3.58Å; L217-E232 VanDerWaalsContact O-CA 3.26Å; L217-E232 WeakPolarHBondContact O-CA 3.27Å; L217-Y233 HydrophobicContact CB-CD2 4.4Å; L217-Y233 HydrophobicContact CD2-CD2 3.98Å; L217-Y233 HydrophobicContact CG-CD2 4.3Å; L217-Y233 PolarHBondContact N-O 2.8Å; L217-Y233 VanDerWaalsContact N-O 3.1Å; L217-Y233 PolarHBondContact O-N 2.85Å; L217-F236 HydrophobicContact CB-CB 3.62Å; L217-F236 HydrophobicContact CB-CD2 3.89Å; L217-F236 HydrophobicContact CB-CG 3.75Å; L217-F236 HydrophobicContact CD2-CD2 3.7Å; L217-F236 HydrophobicContact CD2-CE2 4.01Å; L217-F236 HydrophobicContact CD2-CG 4.43Å; L217-F236 HydrophobicContact CG-CD2 4.25Å; L217-L249 HydrophobicContact CD2-CD2 4.16Å; L217-L261 HydrophobicContact CD2-CD1 4.22Å; L217-M335 HydrophobicContact CD1-CB 4.16Å; L217-M335 HydrophobicContact CD1-CE 4.05Å; L217-M335 HydrophobicContact CD2-CE 4.01Å; L217-I337 HydrophobicContact CD1-CG2 3.93Å
218	R	98.4	Very high	95	Very high	21 Å²	21	41.4 Å²	41.4	8%	0.079	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	132.8	164.9	-179.5	178.4	180	76	8.2	109.2	W169 E220 Y230 A231 E232 K336	W169-R218 HydrophobicContact CE3-CB 4.33Å; W169-R218 HydrophobicContact CH2-CB 3.57Å; W169-R218 HydrophobicContact CZ2-CB 4.11Å; W169-R218 HydrophobicContact CZ3-CB 3.7Å; R218-E220 HydrophobicContact CG-CG 4.06Å; R218-E220 IonicContact CZ-OE1 3.79Å; R218-E220 IonicContact NE-OE1 2.72Å; R218-E220 PolarHBondContact NE-OE1 2.86Å; R218-E220 IonicContact NH2-OE1 2.74Å; R218-E220 PolarHBondContact NH2-OE1 2.73Å; R218-Y230 VanDerWaalsContact NH1-CE2 3.33Å; R218-Y230 VanDerWaalsContact NH1-CG 3.29Å; R218-Y230 VanDerWaalsContact NH2-CG 3.29Å; R218-A231 CarbonylContact C-O 3.54Å; R218-A231 WeakPolarHBondContact CA-O 3.34Å; R218-E232 HydrophobicContact CB-CG 3.81Å; R218-E232 VanDerWaalsContact CD-OE1 3.27Å; R218-E232 WeakPolarHBondContact CD-OE1 3.33Å; R218-E232 HydrophobicContact CG-CG 3.74Å; R218-E232 IonicContact CZ-OE1 2.8Å; R218-E232 IonicContact NE-OE1 3.51Å; R218-E232 IonicContact NH1-OE1 2.68Å; R218-E232 PolarHBondContact NH1-OE1 2.8Å; R218-K336 HydrophobicContact CB-CG 3.9Å; R218-K336 HydrophobicContact CG-CG 4.37Å; R218-K336 PolarHBondContact N-O 2.71Å; R218-K336 PolarHBondContact O-N 2.94Å
219	V	98.6	Very high	95.1	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	118.4	173	-174.3	0	0	0	0	107.8	L217 M221 Y230 A231 L261 L301 W320 V333 E334 M335	L217-V219 HydrophobicContact CD1-CG2 4.35Å; L217-V219 HydrophobicContact CD2-CG2 4.07Å; L217-V219 HydrophobicContact CG-CG2 4.08Å; V219-M221 HydrophobicContact CG1-CE 4.3Å; V219-M221 HydrophobicContact CG1-CG 4.1Å; V219-M221 HydrophobicContact CG1-SD 4.32Å; V219-Y230 CarbonylContact O-C 3.56Å; V219-Y230 WeakPolarHBondContact O-CA 3.44Å; V219-Y230 WeakPolarHBondContact O-CB 3.2Å; V219-A231 HydrophobicContact CB-CB 4.36Å; V219-A231 PolarHBondContact N-O 3.02Å; V219-A231 PolarHBondContact O-N 2.91Å; V219-L261 HydrophobicContact CG2-CD1 3.97Å; V219-L301 HydrophobicContact CG1-CD1 3.64Å; V219-W320 HydrophobicContact CG1-CZ3 4.39Å; V219-V333 HydrophobicContact CG1-CG1 4.18Å; V219-E334 CarbonylContact C-O 3.55Å; V219-E334 WeakPolarHBondContact CA-O 2.99Å; V219-M335 HydrophobicContact CG1-CG 4.4Å; V219-M335 HydrophobicContact CG2-CE 4.5Å; V219-M335 HydrophobicContact CG2-CG 4.22Å
220	E	98.3	Very high	95.4	Very high	44 Å²	44	46.6 Å²	46.6	21%	0.206	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	138	175.1	-61.7	-163.8	130.3	0	0	110.3	T164 R218 V333 E334 K336	T164-E220 WeakPolarHBondContact CG2-OE1 3.2Å; R218-E220 HydrophobicContact CG-CG 4.06Å; R218-E220 IonicContact CZ-OE1 3.79Å; R218-E220 IonicContact NE-OE1 2.72Å; R218-E220 PolarHBondContact NE-OE1 2.86Å; R218-E220 IonicContact NH2-OE1 2.74Å; R218-E220 PolarHBondContact NH2-OE1 2.73Å; E220-V333 CarbonylContact O-C 3.59Å; E220-V333 VanDerWaalsContact O-CA 3.25Å; E220-V333 WeakPolarHBondContact O-CA 3.34Å; E220-E334 PolarHBondContact N-O 3.49Å; E220-E334 PolarHBondContact O-N 3.17Å; E220-K336 IonicContact OE2-NZ 2.84Å; E220-K336 PolarHBondContact OE2-NZ 2.81Å
221	M	98.3	Very high	95.7	Very high	1 Å²	1	46.5 Å²	46.5	1%	0.005	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	137.1	-171.2	-64.6	172	-82.9	0	0	110.2	V219 L228 R229 A231 V256 W320 W323 L330 R332 V333	V219-M221 HydrophobicContact CG1-CE 4.3Å; V219-M221 HydrophobicContact CG1-CG 4.1Å; V219-M221 HydrophobicContact CG1-SD 4.32Å; M221-L228 WeakPolarHBondContact O-CA 3.37Å; M221-R229 PolarHBondContact N-O 3.47Å; M221-R229 PolarHBondContact O-N 3.06Å; M221-A231 HydrophobicContact CE-CB 4.45Å; M221-V256 HydrophobicContact CE-CB 3.99Å; M221-V256 HydrophobicContact CE-CG1 4.04Å; M221-V256 HydrophobicContact CE-CG2 3.85Å; M221-W320 HydrophobicContact CE-CD2 3.88Å; M221-W320 HydrophobicContact CE-CE3 3.94Å; M221-W320 HydrophobicContact CE-CG 4.32Å; M221-W320 HydrophobicContact CE-CZ2 4.5Å; M221-W320 HydrophobicContact CE-CZ3 4.27Å; M221-W320 HydrophobicContact SD-CB 3.85Å; M221-W320 HydrophobicContact SD-CD2 3.71Å; M221-W320 HydrophobicContact SD-CE3 3.61Å; M221-W320 HydrophobicContact SD-CG 3.84Å; M221-W320 HydrophobicContact SD-CZ3 4.37Å; M221-W323 HydrophobicContact CB-CE3 4.49Å; M221-W323 HydrophobicContact CB-CZ3 3.98Å; M221-L330 HydrophobicContact CB-CD1 4.06Å; M221-L330 HydrophobicContact CG-CD1 3.85Å; M221-L330 HydrophobicContact SD-CD1 3.79Å; M221-R332 WeakPolarHBondContact CA-O 3.41Å; M221-V333 HydrophobicContact CG-CG1 4.46Å; M221-V333 HydrophobicContact CG-CG2 4.24Å
222	E	98.3	Very high	96	Very high	22 Å²	22	48 Å²	48	10%	0.103	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	129.3	174.2	-166.7	-170.5	144.9	0	0	108.7	N227 L228 K331 R332	E222-N227 WeakPolarHBondContact CA-O 3.16Å; E222-L228 HydrophobicContact CB-CD2 3.71Å; E222-L228 HydrophobicContact CG-CD2 3.69Å; E222-K331 WeakPolarHBondContact O-CB 3.15Å; E222-K331 PolarHBondContact O-N 2.68Å; E222-K331 WeakPolarHBondContact OE1-CE 3.27Å; E222-K331 IonicContact OE1-NZ 3.55Å; E222-K331 PolarHBondContact OE1-NZ 2.81Å; E222-R332 HydrophobicContact CB-CB 3.85Å; E222-R332 HydrophobicContact CB-CG 4.26Å; E222-R332 PolarHBondContact N-O 2.93Å; E222-R332 PolarHBondContact O-N 2.04Å; E222-R332 VanDerWaalsContact O-N 3.12Å; E222-R332 IonicContact OE1-NH1 3.15Å; E222-R332 WeakPolarHBondContact OE2-CD 3.49Å; E222-R332 IonicContact OE2-CZ 2.84Å; E222-R332 IonicContact OE2-NE 3.91Å; E222-R332 IonicContact OE2-NH1 3.36Å; E222-R332 PolarHBondContact OE2-NH1 3.2Å
223	D	97.8	Very high	96.5	Very high	1 Å²	1	42.8 Å²	42.8	1%	0.005	21%	0.21	C	C	.	.			trans	-87.2	-178.5	170.5	72.2	7.8	0	0	0	111.8	E225 G226 N227 W323 H324 Y328 K331	D223-E225 VanDerWaalsContact C-N 3.29Å; D223-E225 VanDerWaalsContact CG-OE2 3.29Å; D223-E225 PolarHBondContact OD1-N 2.87Å; D223-G226 PolarHBondContact O-N 2.97Å; D223-G226 PolarHBondContact OD1-N 3.23Å; D223-N227 PolarHBondContact N-O 2.91Å; D223-N227 WeakPolarHBondContact OD1-CB 3.2Å; D223-N227 PolarHBondContact OD1-N 2.9Å; D223-N227 PolarHBondContact OD1-ND2 3.23Å; D223-N227 WeakPolarHBondContact OD2-CB 3.25Å; D223-N227 PolarHBondContact OD2-ND2 2.84Å; D223-W323 HydrophobicContact CB-CH2 3.52Å; D223-W323 HydrophobicContact CB-CZ2 3.88Å; D223-W323 HydrophobicContact CB-CZ3 4.21Å; D223-W323 WeakPolarHBondContact OD2-CZ2 3.34Å; D223-H324 WeakPolarHBondContact CB-NE2 3.36Å; D223-H324 IonicContact OD2-CE1 3.74Å; D223-H324 IonicContact OD2-NE2 3.16Å; D223-H324 PolarHBondContact OD2-NE2 2.72Å; D223-H324 VanDerWaalsContact OD2-NE2 3.16Å; D223-Y328 HydrophobicContact CB-CE1 4.03Å; D223-Y328 WeakPolarHBondContact CB-OH 3.27Å; D223-K331 WeakPolarHBondContact O-CD 3.38Å
224	W	97.3	Very high	97	Very high	66 Å²	66	43.6 Å²	43.6	25%	0.25	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-19.2	-176.9	-70.1	85.5	0	0	0	113.2	G226 Y305 Y306 R307 L308 Y328 S329 K331	W224-G226 VanDerWaalsContact C-N 3.31Å; W224-Y305 HydrophobicContact CH2-CE1 4.01Å; W224-Y305 AromaticContact CZ2-CE1 3.9Å; W224-Y305 HydrophobicContact CZ2-CE1 3.9Å; W224-Y306 WeakPolarHBondContact CZ2-O 3.39Å; W224-R307 HydrophobicContact CH2-CB 4.01Å; W224-R307 HydrophobicContact CH2-CG 4.1Å; W224-R307 VanDerWaalsContact CZ2-CA 3.48Å; W224-R307 HydrophobicContact CZ2-CB 4.35Å; W224-L308 VanDerWaalsContact CE2-N 3.33Å; W224-Y328 WeakPolarHBondContact CB-OH 3.29Å; W224-Y328 AromaticContact CD1-CE1 3.94Å; W224-Y328 AromaticContact CD1-CZ 3.78Å; W224-Y328 PolarHBondContact N-OH 3.01Å; W224-S329 PolarHBondContact NE1-O 3.22Å; W224-K331 HydrophobicContact CD2-CB 3.82Å; W224-K331 HydrophobicContact CD2-CD 4.26Å; W224-K331 HydrophobicContact CD2-CG 4.01Å; W224-K331 HydrophobicContact CE3-CB 4.39Å; W224-K331 HydrophobicContact CE3-CD 4.11Å; W224-K331 HydrophobicContact CE3-CG 4.06Å; W224-K331 HydrophobicContact CG-CB 4.04Å; W224-K331 HydrophobicContact CH2-CG 4.15Å; W224-K331 HydrophobicContact CZ2-CB 4.07Å; W224-K331 HydrophobicContact CZ2-CG 4.1Å; W224-K331 HydrophobicContact CZ3-CD 4.47Å; W224-K331 HydrophobicContact CZ3-CG 4.14Å
225	E	97.1	Very high	97.4	Very high	125 Å²	125	43 Å²	43	58%	0.584	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-9	174	-62.7	70.3	-152.1	0	0	112.6	D223 Y328	D223-E225 VanDerWaalsContact C-N 3.29Å; D223-E225 VanDerWaalsContact CG-OE2 3.29Å; D223-E225 PolarHBondContact OD1-N 2.87Å; E225-Y328 PolarHBondContact OE2-OH 3.24Å
226	G	96.9	Very high	97.5	Very high	39 Å²	39	43 Å²	43	40%	0.402	21%	0.211	S	C	.	.			trans	88.3	11.7	177.9	0	0	0	0	0	114.3	D223 W224	D223-G226 PolarHBondContact O-N 2.97Å; D223-G226 PolarHBondContact OD1-N 3.23Å; W224-G226 VanDerWaalsContact C-N 3.31Å
227	N	97.8	Very high	97.5	Very high	82 Å²	82	42.1 Å²	42.1	44%	0.439	21%	0.211	S	C	.	.			trans	-72	135.5	173.1	-55.4	-64.1	0	0	0	109.8	E222 D223 W323	E222-N227 WeakPolarHBondContact CA-O 3.16Å; D223-N227 PolarHBondContact N-O 2.91Å; D223-N227 WeakPolarHBondContact OD1-CB 3.2Å; D223-N227 PolarHBondContact OD1-N 2.9Å; D223-N227 PolarHBondContact OD1-ND2 3.23Å; D223-N227 WeakPolarHBondContact OD2-CB 3.25Å; D223-N227 PolarHBondContact OD2-ND2 2.84Å; N227-W323 HydrophobicContact CB-CH2 4.29Å; N227-W323 HydrophobicContact CB-CZ2 3.93Å; N227-W323 WeakPolarHBondContact O-CH2 3.4Å
228	L	97.3	Very high	97.4	Very high	121 Å²	121	42 Å²	42	63%	0.634	21%	0.211	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-107.3	130.7	178.4	-65.2	171.4	0	0	0	110.7	M221 E222	M221-L228 WeakPolarHBondContact O-CA 3.37Å; E222-L228 HydrophobicContact CB-CD2 3.71Å; E222-L228 HydrophobicContact CG-CD2 3.69Å
229	R	97.6	Very high	97.2	Very high	99 Å²	99	41.5 Å²	41.5	37%	0.374	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	156.8	175.1	-64.6	-63	-172.3	-144.5	0.7	110.6	M221 N255 V256 W323	M221-R229 PolarHBondContact N-O 3.47Å; M221-R229 PolarHBondContact O-N 3.06Å; R229-N255 VanDerWaalsContact CA-OD1 3.28Å; R229-N255 WeakPolarHBondContact CA-OD1 3.42Å; R229-N255 WeakPolarHBondContact CD-O 3.36Å; R229-N255 WeakPolarHBondContact CD-OD1 3.27Å; R229-V256 HydrophobicContact CB-CB 4.09Å; R229-V256 HydrophobicContact CB-CG2 4.19Å; R229-W323 HydrophobicContact CB-CE3 4.2Å; R229-W323 HydrophobicContact CB-CH2 4.28Å; R229-W323 HydrophobicContact CB-CZ3 4.04Å; R229-W323 HydrophobicContact CG-CD2 3.98Å; R229-W323 HydrophobicContact CG-CE3 4.04Å; R229-W323 HydrophobicContact CG-CH2 3.77Å; R229-W323 HydrophobicContact CG-CZ2 3.7Å; R229-W323 HydrophobicContact CG-CZ3 3.94Å
230	Y	98.1	Very high	97	Very high	74 Å²	74	44.2 Å²	44.2	29%	0.29	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	154.2	173.5	75.9	-90.5	0	0	0	112.8	R218 V219 E232 G254 N255 V256	R218-Y230 VanDerWaalsContact NH1-CE2 3.33Å; R218-Y230 VanDerWaalsContact NH1-CG 3.29Å; R218-Y230 VanDerWaalsContact NH2-CG 3.29Å; V219-Y230 CarbonylContact O-C 3.56Å; V219-Y230 WeakPolarHBondContact O-CA 3.44Å; V219-Y230 WeakPolarHBondContact O-CB 3.2Å; Y230-E232 HydrophobicContact CD2-CG 3.96Å; Y230-E232 HydrophobicContact CE2-CG 4.16Å; Y230-G254 WeakPolarHBondContact O-CA 3.29Å; Y230-N255 WeakPolarHBondContact CD1-OD1 3.29Å; Y230-N255 HydrophobicContact CE1-CB 4.35Å; Y230-N255 PolarHBondContact N-OD1 2.86Å; Y230-N255 PolarHBondContact O-N 2.94Å; Y230-N255 PolarHBondContact O-OD1 3.09Å; Y230-V256 PolarHBondContact O-N 2.74Å
231	A	98.2	Very high	96.9	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	137.5	167.4	0	0	0	0	0	108.5	R218 V219 M221 Y233 Y252 V256 W320	R218-A231 CarbonylContact C-O 3.54Å; R218-A231 WeakPolarHBondContact CA-O 3.34Å; V219-A231 HydrophobicContact CB-CB 4.36Å; V219-A231 PolarHBondContact N-O 3.02Å; V219-A231 PolarHBondContact O-N 2.91Å; M221-A231 HydrophobicContact CE-CB 4.45Å; A231-Y233 HydrophobicContact CB-CE2 3.95Å; A231-Y252 HydrophobicContact CB-CD2 4.32Å; A231-Y252 HydrophobicContact CB-CE2 3.65Å; A231-V256 HydrophobicContact CB-CG1 3.94Å; A231-W320 HydrophobicContact CB-CH2 3.62Å; A231-W320 HydrophobicContact CB-CZ2 3.85Å
232	E	97.8	Very high	96.7	Very high	31 Å²	31	52.5 Å²	52.5	15%	0.145	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	140	175	-80.4	-171	176.5	0	0	110.5	L217 R218 Y230 Y252 T253	L217-E232 CarbonylContact O-C 3.58Å; L217-E232 VanDerWaalsContact O-CA 3.26Å; L217-E232 WeakPolarHBondContact O-CA 3.27Å; R218-E232 HydrophobicContact CB-CG 3.81Å; R218-E232 VanDerWaalsContact CD-OE1 3.27Å; R218-E232 WeakPolarHBondContact CD-OE1 3.33Å; R218-E232 HydrophobicContact CG-CG 3.74Å; R218-E232 IonicContact CZ-OE1 2.8Å; R218-E232 IonicContact NE-OE1 3.51Å; R218-E232 IonicContact NH1-OE1 2.68Å; R218-E232 PolarHBondContact NH1-OE1 2.8Å; Y230-E232 HydrophobicContact CD2-CG 3.96Å; Y230-E232 HydrophobicContact CE2-CG 4.16Å; E232-Y252 CarbonylContact O-C 3.53Å; E232-Y252 WeakPolarHBondContact O-CA 3.39Å; E232-T253 PolarHBondContact N-O 2.81Å; E232-T253 PolarHBondContact O-N 3.46Å; E232-T253 VanDerWaalsContact O-O 3.13Å
233	Y	97.8	Very high	96.6	Very high	1 Å²	1	56.2 Å²	56.2	0%	0.004	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	126.3	177.8	-59.4	-93.1	0	0	0	108.5	R216 L217 A231 H235 L249 N251 Y252 D259 L261 W320	R216-Y233 VanDerWaalsContact CA-O 3.31Å; R216-Y233 WeakPolarHBondContact CA-O 3.48Å; R216-Y233 VanDerWaalsContact CB-O 3.24Å; R216-Y233 WeakPolarHBondContact CB-O 3.19Å; L217-Y233 HydrophobicContact CB-CD2 4.4Å; L217-Y233 HydrophobicContact CD2-CD2 3.98Å; L217-Y233 HydrophobicContact CG-CD2 4.3Å; L217-Y233 PolarHBondContact N-O 2.8Å; L217-Y233 VanDerWaalsContact N-O 3.1Å; L217-Y233 PolarHBondContact O-N 2.85Å; A231-Y233 HydrophobicContact CB-CE2 3.95Å; Y233-H235 PolarHBondContact O-N 2.84Å; Y233-H235 VanDerWaalsContact O-N 3.17Å; Y233-L249 HydrophobicContact CD1-CB 4.07Å; Y233-L249 HydrophobicContact CD1-CD1 4.01Å; Y233-L249 HydrophobicContact CD1-CD2 4.08Å; Y233-L249 HydrophobicContact CD1-CG 4.28Å; Y233-L249 HydrophobicContact CD2-CD2 4.35Å; Y233-L249 HydrophobicContact CE1-CD1 4.03Å; Y233-L249 HydrophobicContact CG-CD1 4.49Å; Y233-L249 HydrophobicContact CG-CD2 3.85Å; Y233-N251 WeakPolarHBondContact CA-O 3.4Å; Y233-Y252 AromaticContact CE1-CD2 3.88Å; Y233-Y252 HydrophobicContact CE1-CD2 3.88Å; Y233-Y252 HydrophobicContact CE1-CG 4.38Å; Y233-Y252 HydrophobicContact CE2-CD2 4.38Å; Y233-Y252 AromaticContact CZ-CD2 3.72Å; Y233-D259 WeakPolarHBondContact CE1-OD1 3.4Å; Y233-D259 PolarHBondContact OH-OD1 3.37Å; Y233-L261 HydrophobicContact CD2-CD1 4.4Å; Y233-L261 HydrophobicContact CE1-CB 4.19Å; Y233-L261 HydrophobicContact CE2-CB 4.28Å; Y233-L261 HydrophobicContact CE2-CD1 3.57Å; Y233-L261 HydrophobicContact CE2-CG 4.47Å; Y233-L261 WeakPolarHBondContact OH-CB 3.42Å; Y233-W320 WeakPolarHBondContact OH-CH2 3.32Å
234	S	95.4	Very high	96.6	Very high	58 Å²	58	57 Å²	57	41%	0.406	30%	0.296	S	S	.	.	S	Bend	trans	-63.9	-21.6	-175.9	70.8	0	0	0	0	113.4	N251 E340	S234-N251 PolarHBondContact N-O 3.29Å; S234-N251 PolarHBondContact OG-N 3.03Å; S234-E340 WeakPolarHBondContact O-CG 3.33Å
235	H	94.5	Very high	96.7	Very high	65 Å²	65	53.9 Å²	53.9	30%	0.301	28%	0.284	S	S	.	.			trans	-140	140.4	178.3	-168.9	69	0	0	0	109.2	T215 Y233 V237 L249 G250 E340	T215-H235 CarbonylContact O-C 3.57Å; T215-H235 WeakPolarHBondContact O-CA 3.48Å; Y233-H235 PolarHBondContact O-N 2.84Å; Y233-H235 VanDerWaalsContact O-N 3.17Å; H235-V237 VanDerWaalsContact NE2-CG2 3.27Å; H235-V237 WeakPolarHBondContact NE2-CG2 3.23Å; H235-L249 CarbonylContact O-C 3.47Å; H235-L249 WeakPolarHBondContact O-CA 3.33Å; H235-G250 PolarHBondContact O-N 3.07Å; H235-E340 IonicContact CE1-OE1 3.6Å; H235-E340 IonicContact CG-OE1 3.75Å; H235-E340 IonicContact ND1-OE1 3.58Å; H235-E340 PolarHBondContact ND1-OE1 3.02Å
236	F	97.4	Very high	96.7	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	114.4	-180	171.2	-97.3	0	0	0	108.9	I172 I207 T215 L217 L238 L247 F248 L249 W292 I337	I172-F236 HydrophobicContact CD1-CE1 4.21Å; I172-F236 HydrophobicContact CD1-CZ 4.02Å; I207-F236 HydrophobicContact CG2-CE1 3.68Å; I207-F236 HydrophobicContact CG2-CZ 3.85Å; T215-F236 PolarHBondContact O-N 2.83Å; L217-F236 HydrophobicContact CB-CB 3.62Å; L217-F236 HydrophobicContact CB-CD2 3.89Å; L217-F236 HydrophobicContact CB-CG 3.75Å; L217-F236 HydrophobicContact CD2-CD2 3.7Å; L217-F236 HydrophobicContact CD2-CE2 4.01Å; L217-F236 HydrophobicContact CD2-CG 4.43Å; L217-F236 HydrophobicContact CG-CD2 4.25Å; F236-L238 HydrophobicContact CE1-CG 4.33Å; F236-L238 HydrophobicContact CE2-CD2 3.94Å; F236-L238 HydrophobicContact CZ-CD1 4.38Å; F236-L238 HydrophobicContact CZ-CD2 3.75Å; F236-L238 HydrophobicContact CZ-CG 3.91Å; F236-L247 HydrophobicContact CD2-CD1 3.75Å; F236-L247 HydrophobicContact CE2-CD1 3.48Å; F236-L247 VanDerWaalsContact CE2-CD1 3.48Å; F236-F248 WeakPolarHBondContact CA-O 3.42Å; F236-L249 HydrophobicContact CB-CD2 4.47Å; F236-L249 HydrophobicContact CD2-CD2 3.82Å; F236-W292 HydrophobicContact CE2-CH2 4.48Å; F236-I337 HydrophobicContact CD1-CG2 3.7Å; F236-I337 HydrophobicContact CE1-CG2 3.78Å
237	V	96.2	Very high	96.8	Very high	33 Å²	33	49.9 Å²	49.9	20%	0.2	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	136.4	177.4	176.7	0	0	0	0	109	H235 F248	H235-V237 VanDerWaalsContact NE2-CG2 3.27Å; H235-V237 WeakPolarHBondContact NE2-CG2 3.23Å; V237-F248 HydrophobicContact CB-CB 4.37Å; V237-F248 PolarHBondContact N-O 2.72Å; V237-F248 PolarHBondContact O-N 2.76Å
238	L	96.4	Very high	96.7	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	138.6	164.4	-56	-169	0	0	0	110.2	I207 H208 S211 F236 R246 L247 W292	I207-L238 HydrophobicContact CB-CD1 3.82Å; I207-L238 HydrophobicContact CG2-CD1 3.41Å; I207-L238 VanDerWaalsContact CG2-CD1 3.41Å; I207-L238 HydrophobicContact CG2-CG 3.97Å; H208-L238 HydrophobicContact CB-CB 4.3Å; H208-L238 PolarHBondContact ND1-O 3.05Å; S211-L238 PolarHBondContact OG-N 2.88Å; S211-L238 VanDerWaalsContact OG-N 3.09Å; F236-L238 HydrophobicContact CE1-CG 4.33Å; F236-L238 HydrophobicContact CE2-CD2 3.94Å; F236-L238 HydrophobicContact CZ-CD1 4.38Å; F236-L238 HydrophobicContact CZ-CD2 3.75Å; F236-L238 HydrophobicContact CZ-CG 3.91Å; L238-R246 CarbonylContact C-O 3.58Å; L238-R246 WeakPolarHBondContact CA-O 3.4Å; L238-L247 HydrophobicContact CD2-CB 4.48Å; L238-L247 HydrophobicContact CD2-CD1 3.75Å; L238-W292 HydrophobicContact CD1-CZ2 3.76Å; L238-W292 HydrophobicContact CD2-CH2 4.18Å; L238-W292 HydrophobicContact CD2-CZ2 3.3Å; L238-W292 HydrophobicContact CG-CZ2 4.18Å
239	G	94.3	Very high	96.7	Very high	10 Å²	10	44.9 Å²	44.9	10%	0.103	22%	0.221	C	C	.	.			trans	-62.1	169.1	163	0	0	0	0	0	111.7	H208 Y245 R246	H208-G239 PolarHBondContact ND1-O 2.97Å; G239-Y245 WeakPolarHBondContact O-CA 3.44Å; G239-Y245 WeakPolarHBondContact O-CD1 3.34Å; G239-R246 PolarHBondContact N-O 3.13Å
240	N	94	Very high	96.5	Very high	56 Å²	56	41 Å²	41	30%	0.299	21%	0.212	S	C	.	.			trans	-75.4	-180	171.2	64.9	10.5	0	0	0	111.5	L242 N243 S244 Y245	N240-L242 VanDerWaalsContact C-N 3.3Å; N240-L242 PolarHBondContact O-N 3.15Å; N240-L242 PolarHBondContact OD1-N 2.76Å; N240-N243 CarbonylContact O-C 3.54Å; N240-N243 PolarHBondContact O-N 3.3Å; N240-N243 VanDerWaalsContact O-N 3.15Å; N240-N243 PolarHBondContact OD1-N 2.97Å; N240-S244 PolarHBondContact O-N 2.9Å; N240-Y245 PolarHBondContact O-N 2.91Å
241	E	96.3	Very high	96.4	Very high	62 Å²	62	43.7 Å²	43.7	29%	0.29	23%	0.232	S	C	.	.	G	3₁₀ helix	trans	-61.7	-34.9	179.1	-167.9	175.7	-157.4	0	0	113.7	W186 K190 N243 S244 Y245	W186-E241 HydrophobicContact CZ2-CG 4.02Å; W186-E241 PolarHBondContact NE1-OE1 2.95Å; K190-E241 WeakPolarHBondContact CD-OE1 3.47Å; K190-E241 WeakPolarHBondContact CE-OE2 3.18Å; K190-E241 VanDerWaalsContact NZ-CD 3.35Å; K190-E241 IonicContact NZ-OE1 3.21Å; K190-E241 PolarHBondContact NZ-OE1 3.31Å; K190-E241 IonicContact NZ-OE2 2.7Å; K190-E241 PolarHBondContact NZ-OE2 3.02Å; E241-N243 PolarHBondContact O-N 3.12Å; E241-S244 WeakPolarHBondContact O-CA 3.45Å; E241-S244 PolarHBondContact O-N 3.13Å; E241-Y245 HydrophobicContact CB-CE1 4.18Å; E241-Y245 HydrophobicContact CB-CE2 4.03Å; E241-Y245 WeakPolarHBondContact CB-OH 3.36Å; E241-Y245 HydrophobicContact CG-CE2 3.89Å
242	L	95.3	Very high	96.3	Very high	158 Å²	158	46.6 Å²	46.6	83%	0.827	24%	0.243	S	C	*	.	G	3₁₀ helix	trans	-62.5	-31.9	177.7	-67.3	173.6	0	0	0	111.6	N240 S244	N240-L242 VanDerWaalsContact C-N 3.3Å; N240-L242 PolarHBondContact O-N 3.15Å; N240-L242 PolarHBondContact OD1-N 2.76Å; L242-S244 VanDerWaalsContact C-N 3.3Å
243	N	95.3	Very high	96.2	Very high	100 Å²	100	48.9 Å²	48.9	54%	0.535	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-94.8	22	172.8	-67.2	-28.6	0	0	0	112.5	N240 E241 Y245 R246	N240-N243 CarbonylContact O-C 3.54Å; N240-N243 PolarHBondContact O-N 3.3Å; N240-N243 VanDerWaalsContact O-N 3.15Å; N240-N243 PolarHBondContact OD1-N 2.97Å; E241-N243 PolarHBondContact O-N 3.12Å; N243-Y245 PolarHBondContact O-N 3.31Å; N243-Y245 VanDerWaalsContact O-N 3.13Å; N243-R246 WeakPolarHBondContact O-CB 3.42Å; N243-R246 PolarHBondContact O-N 3.06Å; N243-R246 VanDerWaalsContact O-N 3.12Å
244	S	97.6	Very high	96.1	Very high	18 Å²	18	50.4 Å²	50.4	13%	0.126	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	49.1	39.1	178.8	-67.5	0	0	0	0	113.9	N240 E241 L242 R246 F269 N276	N240-S244 PolarHBondContact O-N 2.9Å; E241-S244 WeakPolarHBondContact O-CA 3.45Å; E241-S244 PolarHBondContact O-N 3.13Å; L242-S244 VanDerWaalsContact C-N 3.3Å; S244-R246 PolarHBondContact O-N 2.82Å; S244-R246 VanDerWaalsContact O-N 3.13Å; S244-F269 WeakPolarHBondContact O-CB 3.45Å; S244-F269 PolarHBondContact O-N 2.8Å; S244-N276 PolarHBondContact OG-OD1 2.97Å
245	Y	98.4	Very high	96.1	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	50.6	36.6	-179.9	-55.4	-71.2	0	0	0	114.1	W186 K190 N204 E205 H208 G239 N240 E241 N243 L247 W292	W186-Y245 AromaticContact CH2-CD2 3.64Å; W186-Y245 HydrophobicContact CH2-CD2 3.64Å; W186-Y245 HydrophobicContact CH2-CE2 4.12Å; W186-Y245 AromaticContact CZ2-CD2 3.54Å; W186-Y245 HydrophobicContact CZ2-CD2 3.54Å; W186-Y245 AromaticContact CZ2-CE2 3.53Å; W186-Y245 HydrophobicContact CZ2-CE2 3.53Å; K190-Y245 WeakPolarHBondContact CD-OH 3.21Å; K190-Y245 WeakPolarHBondContact CG-OH 3.41Å; N204-Y245 HydrophobicContact CB-CD1 3.66Å; N204-Y245 HydrophobicContact CB-CD2 3.6Å; N204-Y245 HydrophobicContact CB-CE1 3.74Å; N204-Y245 HydrophobicContact CB-CE2 3.66Å; N204-Y245 HydrophobicContact CB-CG 3.6Å; N204-Y245 WeakPolarHBondContact ND2-CD2 3.43Å; E205-Y245 WeakPolarHBondContact OE2-CE1 3.25Å; E205-Y245 PolarHBondContact OE2-OH 3.48Å; H208-Y245 HydrophobicContact CB-CD1 4.37Å; H208-Y245 HydrophobicContact CB-CE1 4.46Å; G239-Y245 WeakPolarHBondContact O-CA 3.44Å; G239-Y245 WeakPolarHBondContact O-CD1 3.34Å; N240-Y245 PolarHBondContact O-N 2.91Å; E241-Y245 HydrophobicContact CB-CE1 4.18Å; E241-Y245 HydrophobicContact CB-CE2 4.03Å; E241-Y245 WeakPolarHBondContact CB-OH 3.36Å; E241-Y245 HydrophobicContact CG-CE2 3.89Å; N243-Y245 PolarHBondContact O-N 3.31Å; N243-Y245 VanDerWaalsContact O-N 3.13Å; Y245-L247 PolarHBondContact O-N 3.09Å; Y245-W292 PolarHBondContact O-NE1 3.32Å
246	R	98.3	Very high	95.9	Very high	78 Å²	78	47.9 Å²	47.9	29%	0.294	26%	0.259	S	S	.	.			trans	-50.1	134.3	-179.4	177.6	175.6	-73.6	-94.7	-9.8	112.4	L238 G239 N243 S244 F248 N266 T267	L238-R246 CarbonylContact C-O 3.58Å; L238-R246 WeakPolarHBondContact CA-O 3.4Å; G239-R246 PolarHBondContact N-O 3.13Å; N243-R246 WeakPolarHBondContact O-CB 3.42Å; N243-R246 PolarHBondContact O-N 3.06Å; N243-R246 VanDerWaalsContact O-N 3.12Å; S244-R246 PolarHBondContact O-N 2.82Å; S244-R246 VanDerWaalsContact O-N 3.13Å; R246-F248 HydrophobicContact CB-CE2 4.23Å; R246-F248 HydrophobicContact CG-CE1 4.42Å; R246-F248 HydrophobicContact CG-CE2 3.89Å; R246-F248 HydrophobicContact CG-CZ 3.78Å; R246-N266 WeakPolarHBondContact CD-OD1 3.24Å; R246-N266 PolarHBondContact NH1-O 2.72Å; R246-N266 PolarHBondContact NH1-OD1 3.18Å; R246-T267 VanDerWaalsContact CA-O 3.31Å; R246-T267 WeakPolarHBondContact CA-O 3.43Å
247	L	98.3	Very high	95.1	Very high	2 Å²	2	50.9 Å²	50.9	1%	0.01	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	134.9	-178.3	178.2	62.6	0	0	0	111.4	F236 L238 Y245 L249 H264 N266 T267 W292	F236-L247 HydrophobicContact CD2-CD1 3.75Å; F236-L247 HydrophobicContact CE2-CD1 3.48Å; F236-L247 VanDerWaalsContact CE2-CD1 3.48Å; L238-L247 HydrophobicContact CD2-CB 4.48Å; L238-L247 HydrophobicContact CD2-CD1 3.75Å; Y245-L247 PolarHBondContact O-N 3.09Å; L247-L249 HydrophobicContact CD1-CD2 4Å; L247-L249 HydrophobicContact CD1-CG 4.05Å; L247-L249 HydrophobicContact CD2-CD1 3.88Å; L247-L249 HydrophobicContact CD2-CG 4.1Å; L247-L249 HydrophobicContact CG-CD1 4.3Å; L247-L249 HydrophobicContact CG-CD2 4.45Å; L247-L249 HydrophobicContact CG-CG 3.95Å; L247-H264 HydrophobicContact CD2-CB 4.17Å; L247-N266 WeakPolarHBondContact O-CA 3.47Å; L247-N266 PolarHBondContact O-N 2.7Å; L247-T267 PolarHBondContact N-O 3.39Å; L247-W292 HydrophobicContact CB-CB 4.19Å; L247-W292 VanDerWaalsContact CB-CD1 3.47Å; L247-W292 HydrophobicContact CB-CD2 3.89Å; L247-W292 HydrophobicContact CB-CG 3.6Å; L247-W292 HydrophobicContact CD1-CD2 4.44Å; L247-W292 HydrophobicContact CD1-CZ2 4.46Å; L247-W292 HydrophobicContact CD2-CB 4.19Å; L247-W292 HydrophobicContact CD2-CD2 3.85Å; L247-W292 HydrophobicContact CD2-CE3 3.88Å; L247-W292 HydrophobicContact CD2-CG 4Å; L247-W292 HydrophobicContact CG-CD2 4.29Å; L247-W292 HydrophobicContact CG-CG 4.38Å
248	F	97.3	Very high	94.7	Very high	82 Å²	82	54.4 Å²	54.4	36%	0.36	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	127.3	167.5	-60	-83.5	0	0	0	109.6	F236 V237 R246 N265	F236-F248 WeakPolarHBondContact CA-O 3.42Å; V237-F248 HydrophobicContact CB-CB 4.37Å; V237-F248 PolarHBondContact N-O 2.72Å; V237-F248 PolarHBondContact O-N 2.76Å; R246-F248 HydrophobicContact CB-CE2 4.23Å; R246-F248 HydrophobicContact CG-CE1 4.42Å; R246-F248 HydrophobicContact CG-CE2 3.89Å; R246-F248 HydrophobicContact CG-CZ 3.78Å; F248-N265 WeakPolarHBondContact CA-OD1 3.41Å
249	L	96.1	Very high	94.6	Very high	16 Å²	16	55.5 Å²	55.5	8%	0.084	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	144.2	179.3	-66.6	172.7	0	0	0	111.8	L217 Y233 H235 F236 L247 L261 N265	L217-L249 HydrophobicContact CD2-CD2 4.16Å; Y233-L249 HydrophobicContact CD1-CB 4.07Å; Y233-L249 HydrophobicContact CD1-CD1 4.01Å; Y233-L249 HydrophobicContact CD1-CD2 4.08Å; Y233-L249 HydrophobicContact CD1-CG 4.28Å; Y233-L249 HydrophobicContact CD2-CD2 4.35Å; Y233-L249 HydrophobicContact CE1-CD1 4.03Å; Y233-L249 HydrophobicContact CG-CD1 4.49Å; Y233-L249 HydrophobicContact CG-CD2 3.85Å; H235-L249 CarbonylContact O-C 3.47Å; H235-L249 WeakPolarHBondContact O-CA 3.33Å; F236-L249 HydrophobicContact CB-CD2 4.47Å; F236-L249 HydrophobicContact CD2-CD2 3.82Å; L247-L249 HydrophobicContact CD1-CD2 4Å; L247-L249 HydrophobicContact CD1-CG 4.05Å; L247-L249 HydrophobicContact CD2-CD1 3.88Å; L247-L249 HydrophobicContact CD2-CG 4.1Å; L247-L249 HydrophobicContact CG-CD1 4.3Å; L247-L249 HydrophobicContact CG-CD2 4.45Å; L247-L249 HydrophobicContact CG-CG 3.95Å; L249-L261 HydrophobicContact CD1-CB 3.71Å; L249-N265 HydrophobicContact CB-CB 4.49Å; L249-N265 PolarHBondContact N-OD1 2.84Å; L249-N265 PolarHBondContact O-ND2 2.78Å; L249-N265 VanDerWaalsContact O-ND2 3.11Å
250	G	94.4	Very high	94.7	Very high	18 Å²	18	55.1 Å²	55.1	19%	0.186	31%	0.31	C	S	.	.			trans	-91.3	-155.6	170.4	0	0	0	0	0	113	H235	H235-G250 PolarHBondContact O-N 3.07Å
251	N	94.9	Very high	94.8	Very high	130 Å²	130	52.5 Å²	52.5	70%	0.695	30%	0.296	S	S	*	.			trans	-68.5	135.6	-176	-68.7	-18	0	0	0	111.3	Y233 S234	Y233-N251 WeakPolarHBondContact CA-O 3.4Å; S234-N251 PolarHBondContact N-O 3.29Å; S234-N251 PolarHBondContact OG-N 3.03Å
252	Y	96.6	Very high	94.7	Very high	61 Å²	61	54.2 Å²	54.2	24%	0.239	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	140.7	176.1	167.2	-101.2	0	0	0	112.6	A231 E232 Y233 V256 D259	A231-Y252 HydrophobicContact CB-CD2 4.32Å; A231-Y252 HydrophobicContact CB-CE2 3.65Å; E232-Y252 CarbonylContact O-C 3.53Å; E232-Y252 WeakPolarHBondContact O-CA 3.39Å; Y233-Y252 AromaticContact CE1-CD2 3.88Å; Y233-Y252 HydrophobicContact CE1-CD2 3.88Å; Y233-Y252 HydrophobicContact CE1-CG 4.38Å; Y233-Y252 HydrophobicContact CE2-CD2 4.38Å; Y233-Y252 AromaticContact CZ-CD2 3.72Å; Y252-V256 HydrophobicContact CE2-CG1 4.36Å; Y252-V256 VanDerWaalsContact OH-CG1 3.24Å; Y252-V256 WeakPolarHBondContact OH-CG1 3.39Å; Y252-V256 PolarHBondContact OH-O 3.43Å; Y252-D259 WeakPolarHBondContact CB-OD2 3.2Å; Y252-D259 HydrophobicContact CD1-CB 3.88Å; Y252-D259 HydrophobicContact CD2-CB 4.07Å; Y252-D259 HydrophobicContact CE1-CB 4.17Å; Y252-D259 HydrophobicContact CE2-CB 4.35Å; Y252-D259 HydrophobicContact CG-CB 3.82Å
253	T	96	Very high	94.8	Very high	78 Å²	78	50.3 Å²	50.3	48%	0.479	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	156.2	162.9	61.8	0	0	0	0	108.7	E232	E232-T253 PolarHBondContact N-O 2.81Å; E232-T253 PolarHBondContact O-N 3.46Å; E232-T253 VanDerWaalsContact O-O 3.13Å
254	G	95	Very high	94.9	Very high	33 Å²	33	45.6 Å²	45.6	34%	0.34	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	162.3	176.7	-179.6	0	0	0	0	0	112.8	Y230	Y230-G254 WeakPolarHBondContact O-CA 3.29Å
255	N	95.1	Very high	94.9	Very high	66 Å²	66	46.6 Å²	46.6	35%	0.353	26%	0.257	S	S	.	.	S	Bend	trans	-115.9	2.7	173.6	70.7	-2.5	0	0	0	112.6	R229 Y230	R229-N255 VanDerWaalsContact CA-OD1 3.28Å; R229-N255 WeakPolarHBondContact CA-OD1 3.42Å; R229-N255 WeakPolarHBondContact CD-O 3.36Å; R229-N255 WeakPolarHBondContact CD-OD1 3.27Å; Y230-N255 WeakPolarHBondContact CD1-OD1 3.29Å; Y230-N255 HydrophobicContact CE1-CB 4.35Å; Y230-N255 PolarHBondContact N-OD1 2.86Å; Y230-N255 PolarHBondContact O-N 2.94Å; Y230-N255 PolarHBondContact O-OD1 3.09Å
256	V	91	Very high	94.8	Very high	4 Å²	4	50.8 Å²	50.8	2%	0.024	28%	0.28	C	S	.	.	S	Bend	trans	-76.1	142.9	164.9	78.5	0	0	0	0	108.3	M221 R229 Y230 A231 Y252 W320 W323	M221-V256 HydrophobicContact CE-CB 3.99Å; M221-V256 HydrophobicContact CE-CG1 4.04Å; M221-V256 HydrophobicContact CE-CG2 3.85Å; R229-V256 HydrophobicContact CB-CB 4.09Å; R229-V256 HydrophobicContact CB-CG2 4.19Å; Y230-V256 PolarHBondContact O-N 2.74Å; A231-V256 HydrophobicContact CB-CG1 3.94Å; Y252-V256 HydrophobicContact CE2-CG1 4.36Å; Y252-V256 VanDerWaalsContact OH-CG1 3.24Å; Y252-V256 WeakPolarHBondContact OH-CG1 3.39Å; Y252-V256 PolarHBondContact OH-O 3.43Å; V256-W320 HydrophobicContact CG1-CZ2 3.65Å; V256-W320 VanDerWaalsContact CG2-CD1 3.49Å; V256-W320 HydrophobicContact CG2-CG 4.2Å; V256-W323 HydrophobicContact CG2-CB 3.71Å; V256-W323 HydrophobicContact CG2-CD2 4.43Å; V256-W323 HydrophobicContact CG2-CE3 4.4Å; V256-W323 HydrophobicContact CG2-CG 4.19Å
257	G	80.1	Confident	94.8	Very high	63 Å²	63	47.2 Å²	47.2	65%	0.649	27%	0.266	S	S	*	.	S	Bend	trans	-55.5	-84	-166.9	0	0	0	0	0	113.8	G322	G257-G322 VanDerWaalsContact CA-O 3.28Å; G257-G322 WeakPolarHBondContact CA-O 3.48Å; G257-G322 PolarHBondContact N-O 3.35Å
258	N	88.3	Confident	94.8	Very high	107 Å²	107	47.4 Å²	47.4	57%	0.572	27%	0.269	S	S	*	.	S	Bend	trans	-92	148.2	177.9	-162.5	16.8	0	0	0	112	A260 W320 G322	N258-A260 PolarHBondContact O-N 3.46Å; N258-W320 PolarHBondContact O-NE1 3.16Å; N258-G322 PolarHBondContact N-O 3.45Å; N258-G322 VanDerWaalsContact N-O 3.09Å
259	D	94.2	Very high	94.9	Very high	24 Å²	24	43.5 Å²	43.5	13%	0.128	25%	0.252	C	S	.	.			trans	-72.5	95.1	174.2	-178.3	-5.5	0	0	0	110.5	Y233 Y252 L261 Q262	Y233-D259 WeakPolarHBondContact CE1-OD1 3.4Å; Y233-D259 PolarHBondContact OH-OD1 3.37Å; Y252-D259 WeakPolarHBondContact CB-OD2 3.2Å; Y252-D259 HydrophobicContact CD1-CB 3.88Å; Y252-D259 HydrophobicContact CD2-CB 4.07Å; Y252-D259 HydrophobicContact CE1-CB 4.17Å; Y252-D259 HydrophobicContact CE2-CB 4.35Å; Y252-D259 HydrophobicContact CG-CB 3.82Å; D259-L261 PolarHBondContact OD1-N 2.74Å; D259-L261 VanDerWaalsContact OD1-N 3.13Å; D259-Q262 HydrophobicContact CB-CB 4.34Å; D259-Q262 PolarHBondContact OD1-N 2.87Å; D259-Q262 WeakPolarHBondContact OD2-CB 3.42Å
260	A	95.6	Very high	95	Very high	2 Å²	2	42.8 Å²	42.8	2%	0.017	25%	0.248	C	C	.	.	S	Bend	trans	-85.6	-4.2	-176.6	0	0	0	0	0	114.2	N258 H264 D298 S299 W320	N258-A260 PolarHBondContact O-N 3.46Å; A260-H264 PolarHBondContact O-CD2 3.12Å; A260-D298 HydrophobicContact CB-CB 4.21Å; A260-D298 WeakPolarHBondContact CB-O 3.4Å; A260-S299 PolarHBondContact O-OG 3.06Å; A260-W320 HydrophobicContact CB-CD2 3.65Å; A260-W320 VanDerWaalsContact CB-CE2 3.4Å; A260-W320 HydrophobicContact CB-CE3 4.21Å; A260-W320 HydrophobicContact CB-CG 3.97Å; A260-W320 HydrophobicContact CB-CH2 4.37Å; A260-W320 HydrophobicContact CB-CZ2 3.81Å
261	L	96.1	Very high	95.3	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.005	24%	0.24	C	C	.	.	S	Bend	trans	-96.4	-19.4	172.7	-72.5	167.9	0	0	0	112.9	L217 V219 Y233 L249 D259 Y263 H264 N265 Y291 S299 W320	L217-L261 HydrophobicContact CD2-CD1 4.22Å; V219-L261 HydrophobicContact CG2-CD1 3.97Å; Y233-L261 HydrophobicContact CD2-CD1 4.4Å; Y233-L261 HydrophobicContact CE1-CB 4.19Å; Y233-L261 HydrophobicContact CE2-CB 4.28Å; Y233-L261 HydrophobicContact CE2-CD1 3.57Å; Y233-L261 HydrophobicContact CE2-CG 4.47Å; Y233-L261 WeakPolarHBondContact OH-CB 3.42Å; L249-L261 HydrophobicContact CD1-CB 3.71Å; D259-L261 PolarHBondContact OD1-N 2.74Å; D259-L261 VanDerWaalsContact OD1-N 3.13Å; L261-Y263 PolarHBondContact O-N 3.38Å; L261-H264 CarbonylContact O-C 3.58Å; L261-H264 WeakPolarHBondContact O-CA 3.24Å; L261-H264 VanDerWaalsContact O-CB 3.27Å; L261-H264 WeakPolarHBondContact O-CB 3.21Å; L261-H264 PolarHBondContact O-N 3.35Å; L261-N265 PolarHBondContact O-N 2.84Å; L261-Y291 HydrophobicContact CD2-CE1 4.21Å; L261-Y291 VanDerWaalsContact CD2-OH 3.27Å; L261-Y291 WeakPolarHBondContact CD2-OH 3.12Å; L261-S299 WeakPolarHBondContact CD2-OG 3.25Å; L261-W320 HydrophobicContact CB-CH2 4.41Å; L261-W320 HydrophobicContact CD1-CH2 3.87Å; L261-W320 HydrophobicContact CD1-CZ3 3.82Å; L261-W320 HydrophobicContact CG-CH2 3.8Å; L261-W320 HydrophobicContact CG-CZ3 3.74Å
262	Q	96.1	Very high	95.4	Very high	97 Å²	97	39.1 Å²	39.1	45%	0.453	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-57.4	-34.9	176.3	-176.3	61	8.8	0	0	112.7	D259 H264 N265	D259-Q262 HydrophobicContact CB-CB 4.34Å; D259-Q262 PolarHBondContact OD1-N 2.87Å; D259-Q262 WeakPolarHBondContact OD2-CB 3.42Å; Q262-H264 PolarHBondContact O-N 3Å; Q262-H264 VanDerWaalsContact O-N 3.14Å; Q262-N265 VanDerWaalsContact O-CB 3.3Å; Q262-N265 WeakPolarHBondContact O-CB 3.41Å; Q262-N265 PolarHBondContact O-N 3.1Å; Q262-N265 PolarHBondContact OE1-ND2 2.85Å
263	Y	96.8	Very high	95.5	Very high	77 Å²	77	41 Å²	41	30%	0.302	24%	0.235	S	C	.	.	G	3₁₀ helix	trans	-61.9	-18.6	174.6	-175.7	-110.5	0	0	0	113.9	L261 N294 C295 D298	L261-Y263 PolarHBondContact O-N 3.38Å; Y263-N294 HydrophobicContact CD1-CB 4.08Å; Y263-N294 HydrophobicContact CE1-CB 3.54Å; Y263-N294 WeakPolarHBondContact CE2-ND2 3.08Å; Y263-N294 PolarHBondContact O-ND2 2.89Å; Y263-N294 VanDerWaalsContact O-ND2 3.14Å; Y263-C295 PolarHBondContact OH-N 2.87Å; Y263-C295 PolarHBondContact OH-O 2.81Å; Y263-D298 WeakPolarHBondContact CB-OD2 3.27Å; Y263-D298 HydrophobicContact CD1-CB 4.18Å; Y263-D298 HydrophobicContact CG-CB 4.34Å
264	H	97.6	Very high	95.6	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-100.7	-3.2	178.6	-59.1	-90.7	0	0	0	112.7	L247 A260 L261 Q262 N266 T267 Y291 W292 T297 D298 S299	L247-H264 HydrophobicContact CD2-CB 4.17Å; A260-H264 PolarHBondContact O-CD2 3.12Å; L261-H264 CarbonylContact O-C 3.58Å; L261-H264 WeakPolarHBondContact O-CA 3.24Å; L261-H264 VanDerWaalsContact O-CB 3.27Å; L261-H264 WeakPolarHBondContact O-CB 3.21Å; L261-H264 PolarHBondContact O-N 3.35Å; Q262-H264 PolarHBondContact O-N 3Å; Q262-H264 VanDerWaalsContact O-N 3.14Å; H264-N266 PolarHBondContact O-N 2.85Å; H264-T267 PolarHBondContact O-N 3.41Å; H264-T267 PolarHBondContact O-OG1 2.86Å; H264-Y291 AromaticContact CE1-CD1 3.88Å; H264-Y291 AromaticContact CE1-CE1 3.97Å; H264-Y291 AromaticContact ND1-CD1 3.9Å; H264-W292 HydrophobicContact CB-CB 4.26Å; H264-W292 PolarHBondContact ND1-O 2.92Å; H264-T297 PolarHBondContact CE1-OG1 2.93Å; H264-D298 PolarHBondContact NE2-N 2.93Å; H264-D298 VanDerWaalsContact NE2-N 3.14Å; H264-S299 PolarHBondContact NE2-N 3.32Å; H264-S299 PolarHBondContact NE2-OG 2.79Å
265	N	97.5	Very high	95.8	Very high	40 Å²	40	42.2 Å²	42.2	21%	0.214	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	136.7	179.5	-164.2	1.7	0	0	0	109.8	F248 L249 L261 Q262 T267	F248-N265 WeakPolarHBondContact CA-OD1 3.41Å; L249-N265 HydrophobicContact CB-CB 4.49Å; L249-N265 PolarHBondContact N-OD1 2.84Å; L249-N265 PolarHBondContact O-ND2 2.78Å; L249-N265 VanDerWaalsContact O-ND2 3.11Å; L261-N265 PolarHBondContact O-N 2.84Å; Q262-N265 VanDerWaalsContact O-CB 3.3Å; Q262-N265 WeakPolarHBondContact O-CB 3.41Å; Q262-N265 PolarHBondContact O-N 3.1Å; Q262-N265 PolarHBondContact OE1-ND2 2.85Å; N265-T267 VanDerWaalsContact C-N 3.3Å; N265-T267 PolarHBondContact O-N 2.7Å
266	N	96.8	Very high	95.9	Very high	87 Å²	87	41.1 Å²	41.1	47%	0.465	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.2	35.4	-177	-167.6	34.1	0	0	0	113.8	R246 L247 H264	R246-N266 WeakPolarHBondContact CD-OD1 3.24Å; R246-N266 PolarHBondContact NH1-O 2.72Å; R246-N266 PolarHBondContact NH1-OD1 3.18Å; L247-N266 WeakPolarHBondContact O-CA 3.47Å; L247-N266 PolarHBondContact O-N 2.7Å; H264-N266 PolarHBondContact O-N 2.85Å
267	T	98	Very high	96.2	Very high	3 Å²	3	41.8 Å²	41.8	2%	0.018	23%	0.225	C	C	.	.			trans	-113.6	153.4	169.1	66.5	0	0	0	0	111.3	R246 L247 H264 N265 W292 N294	R246-T267 VanDerWaalsContact CA-O 3.31Å; R246-T267 WeakPolarHBondContact CA-O 3.43Å; L247-T267 PolarHBondContact N-O 3.39Å; H264-T267 PolarHBondContact O-N 3.41Å; H264-T267 PolarHBondContact O-OG1 2.86Å; N265-T267 VanDerWaalsContact C-N 3.3Å; N265-T267 PolarHBondContact O-N 2.7Å; T267-W292 WeakPolarHBondContact OG1-CB 3.37Å; T267-W292 PolarHBondContact OG1-O 3.18Å; T267-N294 HydrophobicContact CG2-CB 3.98Å
268	A	98.4	Very high	96.9	Very high	7 Å²	7	43.6 Å²	43.6	6%	0.058	22%	0.22	C	C	.	.			trans	-81.1	153.4	178.7	0	0	0	0	0	111	N276 W292	A268-N276 HydrophobicContact CB-CB 3.57Å; A268-W292 WeakPolarHBondContact O-CA 3.37Å
269	F	98.8	Very high	97.2	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.201	C	C	.	.			trans	-72.8	137.9	175	-159.7	-96.4	0	0	0	109.9	W186 Y189 W201 N204 S244 T271 N276 G290 W292	W186-F269 HydrophobicContact CE3-CD1 4.45Å; W186-F269 HydrophobicContact CH2-CB 4.44Å; W186-F269 HydrophobicContact CZ3-CB 4.19Å; W186-F269 AromaticContact CZ3-CD1 4Å; W186-F269 HydrophobicContact CZ3-CD1 4Å; W186-F269 WeakPolarHBondContact CZ3-O 3.21Å; Y189-F269 AromaticContact CD1-CE1 3.63Å; Y189-F269 HydrophobicContact CD1-CE1 3.63Å; Y189-F269 AromaticContact CD1-CZ 3.41Å; Y189-F269 HydrophobicContact CD1-CZ 3.41Å; Y189-F269 VanDerWaalsContact CD1-CZ 3.41Å; Y189-F269 HydrophobicContact CD2-CE1 4.29Å; Y189-F269 HydrophobicContact CE1-CE1 4.28Å; Y189-F269 AromaticContact CE1-CZ 3.76Å; Y189-F269 HydrophobicContact CE1-CZ 3.76Å; Y189-F269 AromaticContact CG-CE1 3.64Å; Y189-F269 HydrophobicContact CG-CE1 3.64Å; Y189-F269 AromaticContact CG-CZ 3.94Å; Y189-F269 HydrophobicContact CG-CZ 3.94Å; W201-F269 HydrophobicContact CZ2-CE2 4.22Å; W201-F269 HydrophobicContact CZ2-CZ 4.37Å; N204-F269 WeakPolarHBondContact ND2-CD1 3.32Å; N204-F269 WeakPolarHBondContact ND2-CE1 3.49Å; S244-F269 WeakPolarHBondContact O-CB 3.45Å; S244-F269 PolarHBondContact O-N 2.8Å; F269-T271 HydrophobicContact CD1-CG2 4.04Å; F269-T271 HydrophobicContact CE1-CG2 3.7Å; F269-N276 PolarHBondContact O-ND2 3.19Å; F269-G290 WeakPolarHBondContact CZ-O 3.18Å; F269-W292 AromaticContact CD2-CD1 3.82Å; F269-W292 AromaticContact CD2-CD2 3.87Å; F269-W292 HydrophobicContact CD2-CD2 3.87Å; F269-W292 AromaticContact CD2-CE2 3.59Å; F269-W292 HydrophobicContact CD2-CG 4.02Å; F269-W292 HydrophobicContact CD2-CZ2 4.06Å; F269-W292 AromaticContact CD2-NE1 3.56Å; F269-W292 HydrophobicContact CE2-CD2 4.31Å; F269-W292 HydrophobicContact CE2-CZ2 4.23Å
270	S	98.8	Very high	97.2	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.239	C	C	.	.	B	Isolated β-bridge	trans	-128	148.1	178.9	-69.5	0	0	0	0	110.3	K274 N276 D277 G290 Y291	S270-K274 WeakPolarHBondContact CA-O 3.5Å; S270-N276 WeakPolarHBondContact OG-CA 3.33Å; S270-N276 PolarHBondContact OG-N 2.77Å; S270-D277 PolarHBondContact OG-N 2.81Å; S270-G290 CarbonylContact O-C 3.34Å; S270-G290 WeakPolarHBondContact O-CA 3.19Å; S270-Y291 PolarHBondContact N-O 3.45Å; S270-Y291 PolarHBondContact O-N 2.79Å; S270-Y291 VanDerWaalsContact O-N 3.07Å
271	T	98.9	Very high	97.1	Very high	4 Å²	4	51.9 Å²	51.9	3%	0.025	27%	0.265	C	S	.	.	B	Isolated β-bridge	trans	-137.9	172.8	177.8	53.1	0	0	0	0	109.4	W186 Y189 F269 D273 K274 A284	W186-T271 HydrophobicContact CE3-CG2 4.12Å; W186-T271 PolarHBondContact N-OG1 3.07Å; Y189-T271 HydrophobicContact CD2-CG2 3.55Å; Y189-T271 HydrophobicContact CE2-CG2 4.29Å; Y189-T271 HydrophobicContact CG-CG2 3.99Å; F269-T271 HydrophobicContact CD1-CG2 4.04Å; F269-T271 HydrophobicContact CE1-CG2 3.7Å; T271-D273 PolarHBondContact O-N 2.89Å; T271-D273 PolarHBondContact OG1-OD1 2.69Å; T271-K274 PolarHBondContact N-O 3.28Å; T271-K274 CarbonylContact O-C 3.56Å; T271-K274 PolarHBondContact O-N 2.96Å; T271-K274 VanDerWaalsContact O-O 3.08Å; T271-K274 PolarHBondContact OG1-N 3.28Å; T271-A284 WeakPolarHBondContact O-CB 3.45Å
272	K	98.2	Very high	97.1	Very high	67 Å²	67	57 Å²	57	29%	0.291	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-27.2	-174.9	68.6	-172.8	176	-168	0	114.5	Y183 Q285	Y183-K272 HydrophobicContact CD1-CD 4.42Å; Y183-K272 HydrophobicContact CD2-CB 4.3Å; Y183-K272 HydrophobicContact CD2-CD 4.37Å; Y183-K272 HydrophobicContact CE1-CD 4.15Å; Y183-K272 HydrophobicContact CE2-CB 3.51Å; Y183-K272 HydrophobicContact CE2-CD 4.13Å; Y183-K272 HydrophobicContact CE2-CG 4.44Å; Y183-K272 PolarHBondContact O-NZ 3.04Å; K272-Q285 HydrophobicContact CB-CG 4.5Å; K272-Q285 PolarHBondContact O-NE2 3.08Å
273	D	98.5	Very high	97.2	Very high	100 Å²	100	52.4 Å²	52.4	54%	0.535	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.7	-5.6	-176.2	62.8	-48.3	0	0	0	114	D185 W186 T271	D185-D273 WeakPolarHBondContact CA-OD1 3.27Å; D185-D273 WeakPolarHBondContact CB-OD1 3.35Å; W186-D273 PolarHBondContact N-OD1 3.43Å; T271-D273 PolarHBondContact O-N 2.89Å; T271-D273 PolarHBondContact OG1-OD1 2.69Å
274	K	98.3	Very high	97.3	Very high	64 Å²	64	48.9 Å²	48.9	28%	0.278	25%	0.252	S	S	.	.	B	Isolated β-bridge	trans	-136.8	107.9	174.9	-163.4	-178.1	-177.7	-176.3	0	110.7	W186 S270 T271	W186-K274 HydrophobicContact CB-CB 4.23Å; W186-K274 HydrophobicContact CD2-CB 4.23Å; W186-K274 HydrophobicContact CD2-CD 3.41Å; W186-K274 VanDerWaalsContact CD2-CD 3.41Å; W186-K274 HydrophobicContact CD2-CG 4.43Å; W186-K274 HydrophobicContact CE3-CB 3.9Å; W186-K274 HydrophobicContact CE3-CD 3.5Å; W186-K274 HydrophobicContact CE3-CG 4.21Å; W186-K274 HydrophobicContact CG-CB 4.4Å; W186-K274 HydrophobicContact CG-CD 3.92Å; W186-K274 HydrophobicContact CH2-CD 3.94Å; W186-K274 HydrophobicContact CZ2-CD 3.89Å; W186-K274 HydrophobicContact CZ3-CD 3.77Å; S270-K274 WeakPolarHBondContact CA-O 3.5Å; T271-K274 PolarHBondContact N-O 3.28Å; T271-K274 CarbonylContact O-C 3.56Å; T271-K274 PolarHBondContact O-N 2.96Å; T271-K274 VanDerWaalsContact O-O 3.08Å; T271-K274 PolarHBondContact OG1-N 3.28Å
275	D	98.4	Very high	97.3	Very high	73 Å²	73	52.5 Å²	52.5	39%	0.39	27%	0.269	S	S	.	.			trans	-94.8	112	-177.7	-170.5	-0.4	0	0	0	110.4	D277	D275-D277 PolarHBondContact OD1-N 3.03Å
276	N	98.1	Very high	97.2	Very high	43 Å²	43	55 Å²	55	23%	0.23	28%	0.282	C	S	.	.			trans	-128.6	17.5	173.9	-50.4	-74.7	0	0	0	111.1	S244 A268 F269 S270	S244-N276 PolarHBondContact OG-OD1 2.97Å; A268-N276 HydrophobicContact CB-CB 3.57Å; F269-N276 PolarHBondContact O-ND2 3.19Å; S270-N276 WeakPolarHBondContact OG-CA 3.33Å; S270-N276 PolarHBondContact OG-N 2.77Å
277	D	97.2	Very high	97.3	Very high	18 Å²	18	52.5 Å²	52.5	10%	0.096	27%	0.266	C	S	.	.	S	Bend	trans	-80.5	169.5	179.9	68.5	58.8	0	0	0	111.1	S270 D275 C279 C283	S270-D277 PolarHBondContact OG-N 2.81Å; D275-D277 PolarHBondContact OD1-N 3.03Å; D277-C279 VanDerWaalsContact C-N 3.3Å; D277-C279 VanDerWaalsContact OD1-CB 3.27Å; D277-C279 WeakPolarHBondContact OD1-CB 3.31Å; D277-C279 PolarHBondContact OD1-N 3.42Å; D277-C283 HydrophobicContact CB-CB 4.38Å; D277-C283 WeakPolarHBondContact OD2-CB 3.48Å; D277-C283 PolarHBondContact OD2-N 2.79Å
278	N	95.6	Very high	97.3	Very high	101 Å²	101	55.8 Å²	55.8	54%	0.54	28%	0.28	S	S	.	.	S	Bend	trans	-96.2	15.8	-176.2	-62.9	-40	0	0	0	111.8	N294	N278-N294 WeakPolarHBondContact CB-OD1 3.31Å; N278-N294 PolarHBondContact N-O 3.2Å; N278-N294 PolarHBondContact ND2-OD1 3.16Å
279	C	94.5	Very high	97.3	Very high	26 Å²	26	55.4 Å²	55.4	18%	0.176	28%	0.277	C	S	.	.	S	Bend	trans	-104.2	162.9	-175.2	-145.7	0	0	0	0	110.7	D277 C283 C295	D277-C279 VanDerWaalsContact C-N 3.3Å; D277-C279 VanDerWaalsContact OD1-CB 3.27Å; D277-C279 WeakPolarHBondContact OD1-CB 3.31Å; D277-C279 PolarHBondContact OD1-N 3.42Å; C279-C283 VanDerWaalsContact CB-SG 3.6Å; C279-C295 VanDerWaalsContact CA-SG 3.51Å; C279-C295 HydrophobicContact CB-CB 3.48Å; C279-C295 VanDerWaalsContact CB-CB 3.48Å; C279-C295 WeakPolarHBondContact CB-SG 3.45Å; C279-C295 VanDerWaalsContact SG-CA 3.5Å; C279-C295 WeakPolarHBondContact SG-CB 3.37Å; C279-C295 CovalentContact SG-SG 2.05Å; C279-C295 PolarHBondContact SG-SG 2.81Å
280	L	93.3	Very high	97.3	Very high	178 Å²	178	55.4 Å²	55.4	93%	0.932	28%	0.277	S	S	*	.	S	Bend	trans	-78	-31.4	169.7	-69	173.9	0	0	0	111.4
281	D	93.3	Very high	97.2	Very high	103 Å²	103	55.4 Å²	55.4	55%	0.551	28%	0.277	S	S	*	.	S	Bend	trans	-86.8	149.2	176.3	-65.8	-52.7	0	0	0	111	C283 L286	D281-C283 PolarHBondContact O-N 3.12Å; D281-L286 HydrophobicContact CB-CD1 3.79Å
282	K	96.1	Very high	97.2	Very high	110 Å²	110	55.3 Å²	55.3	48%	0.478	28%	0.276	S	S	.	.			trans	-76.8	91.4	179.8	-58.4	-174.1	177.6	-179.2	0	111	A284 Q285 L286	K282-A284 VanDerWaalsContact C-N 3.3Å; K282-A284 PolarHBondContact O-N 2.96Å; K282-Q285 HydrophobicContact CB-CB 4.08Å; K282-Q285 HydrophobicContact CB-CG 3.92Å; K282-Q285 HydrophobicContact CD-CG 4.45Å; K282-Q285 WeakPolarHBondContact O-CB 3.4Å; K282-Q285 PolarHBondContact O-N 3.15Å; K282-L286 PolarHBondContact O-N 2.9Å; K282-L286 VanDerWaalsContact O-N 3.15Å
283	C	97.9	Very high	97.3	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-59.9	-39	-170.4	-69.2	0	0	0	0	112.8	D277 C279 D281 Q285 L286 R287 Y293 C296	D277-C283 HydrophobicContact CB-CB 4.38Å; D277-C283 WeakPolarHBondContact OD2-CB 3.48Å; D277-C283 PolarHBondContact OD2-N 2.79Å; C279-C283 VanDerWaalsContact CB-SG 3.6Å; D281-C283 PolarHBondContact O-N 3.12Å; C283-Q285 VanDerWaalsContact C-N 3.26Å; C283-Q285 PolarHBondContact O-N 3.23Å; C283-L286 PolarHBondContact O-N 3Å; C283-L286 VanDerWaalsContact O-N 3.12Å; C283-R287 WeakPolarHBondContact O-CB 3.47Å; C283-R287 WeakPolarHBondContact O-CG 3.38Å; C283-R287 PolarHBondContact O-N 3.03Å; C283-Y293 HydrophobicContact CB-CD1 4.21Å; C283-Y293 HydrophobicContact CB-CD2 4.04Å; C283-Y293 HydrophobicContact CB-CG 3.69Å; C283-C296 VanDerWaalsContact CA-SG 3.55Å; C283-C296 HydrophobicContact CB-CB 3.64Å; C283-C296 WeakPolarHBondContact CB-SG 3.36Å; C283-C296 WeakPolarHBondContact SG-CA 3.19Å; C283-C296 WeakPolarHBondContact SG-CB 3.05Å; C283-C296 CovalentContact SG-SG 2.04Å; C283-C296 PolarHBondContact SG-SG 3.35Å
284	A	98.2	Very high	97.2	Very high	3 Å²	3	49 Å²	49	3%	0.025	25%	0.246	C	C	.	.	H	α-helix	trans	-61.4	-33.6	176.7	0	0	0	0	0	113.1	Y183 T271 K282 K288 G289 Y293	Y183-A284 WeakPolarHBondContact CE2-O 3.42Å; T271-A284 WeakPolarHBondContact O-CB 3.45Å; K282-A284 VanDerWaalsContact C-N 3.3Å; K282-A284 PolarHBondContact O-N 2.96Å; A284-K288 WeakPolarHBondContact O-CA 3.35Å; A284-K288 PolarHBondContact O-N 3.24Å; A284-G289 WeakPolarHBondContact CB-O 3.31Å; A284-Y293 VanDerWaalsContact CA-CE2 3.45Å; A284-Y293 HydrophobicContact CB-CD2 4.04Å; A284-Y293 HydrophobicContact CB-CE2 3.78Å
285	Q	97.9	Very high	97	Very high	75 Å²	75	49.1 Å²	49.1	35%	0.35	25%	0.254	S	S	.	.	H	α-helix	trans	-75.5	-31.3	176.2	-60.5	-171.8	6.9	0	0	112.2	K272 K282 C283 K288	K272-Q285 HydrophobicContact CB-CG 4.5Å; K272-Q285 PolarHBondContact O-NE2 3.08Å; K282-Q285 HydrophobicContact CB-CB 4.08Å; K282-Q285 HydrophobicContact CB-CG 3.92Å; K282-Q285 HydrophobicContact CD-CG 4.45Å; K282-Q285 WeakPolarHBondContact O-CB 3.4Å; K282-Q285 PolarHBondContact O-N 3.15Å; C283-Q285 VanDerWaalsContact C-N 3.26Å; C283-Q285 PolarHBondContact O-N 3.23Å; Q285-K288 WeakPolarHBondContact O-CD 3.15Å; Q285-K288 VanDerWaalsContact O-CE 3.24Å; Q285-K288 WeakPolarHBondContact O-CE 3.4Å; Q285-K288 PolarHBondContact O-NZ 2.76Å
286	L	96.8	Very high	96.8	Very high	93 Å²	93	46.4 Å²	46.4	49%	0.487	24%	0.241	S	C	.	.	H	α-helix	trans	-76.1	-42.1	176.3	-66.3	177.6	0	0	0	112.3	D281 K282 C283	D281-L286 HydrophobicContact CB-CD1 3.79Å; K282-L286 PolarHBondContact O-N 2.9Å; K282-L286 VanDerWaalsContact O-N 3.15Å; C283-L286 PolarHBondContact O-N 3Å; C283-L286 VanDerWaalsContact O-N 3.12Å
287	R	97.4	Very high	96.7	Very high	35 Å²	35	44.6 Å²	44.6	13%	0.132	23%	0.231	C	C	.	.	H	α-helix	trans	-95.2	-2.4	-173.4	-56.4	-57.5	175.8	154	2.6	114.3	C283 G289 Y293 C296 T297 N300 L315 Y321	C283-R287 WeakPolarHBondContact O-CB 3.47Å; C283-R287 WeakPolarHBondContact O-CG 3.38Å; C283-R287 PolarHBondContact O-N 3.03Å; R287-G289 VanDerWaalsContact C-N 3.31Å; R287-G289 PolarHBondContact O-N 2.68Å; R287-Y293 HydrophobicContact CB-CE1 3.67Å; R287-Y293 WeakPolarHBondContact CB-OH 3.49Å; R287-Y293 HydrophobicContact CG-CD1 4.43Å; R287-Y293 HydrophobicContact CG-CE1 3.86Å; R287-C296 HydrophobicContact CG-CB 4.38Å; R287-T297 HydrophobicContact CG-CG2 4.35Å; R287-N300 PolarHBondContact O-ND2 2.73Å; R287-L315 WeakPolarHBondContact CD-O 3.27Å; R287-L315 PolarHBondContact NH1-O 3.42Å; R287-Y321 PolarHBondContact NH1-OH 2.99Å
288	K	97.9	Very high	96.7	Very high	71 Å²	71	46.1 Å²	46.1	31%	0.309	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.6	36.2	171.4	-53	-59.1	-179.4	-163.7	0	114.9	Y183 A284 Q285 V304 D316	Y183-K288 WeakPolarHBondContact CB-O 3Å; Y183-K288 HydrophobicContact CD1-CD 4.46Å; Y183-K288 VanDerWaalsContact CD2-C 3.44Å; Y183-K288 VanDerWaalsContact CD2-CA 3.46Å; Y183-K288 HydrophobicContact CD2-CB 4.15Å; Y183-K288 HydrophobicContact CD2-CD 4.33Å; Y183-K288 HydrophobicContact CE1-CD 4.28Å; Y183-K288 HydrophobicContact CE2-CD 4.11Å; Y183-K288 HydrophobicContact CG-CB 4.35Å; Y183-K288 HydrophobicContact CG-CD 4.49Å; A284-K288 WeakPolarHBondContact O-CA 3.35Å; A284-K288 PolarHBondContact O-N 3.24Å; Q285-K288 WeakPolarHBondContact O-CD 3.15Å; Q285-K288 VanDerWaalsContact O-CE 3.24Å; Q285-K288 WeakPolarHBondContact O-CE 3.4Å; Q285-K288 PolarHBondContact O-NZ 2.76Å; K288-V304 HydrophobicContact CB-CG2 3.6Å; K288-V304 HydrophobicContact CG-CG2 3.96Å; K288-D316 HydrophobicContact CB-CB 4.13Å; K288-D316 HydrophobicContact CG-CB 3.75Å; K288-D316 VanDerWaalsContact CG-OD2 3.23Å; K288-D316 WeakPolarHBondContact CG-OD2 3.27Å
289	G	98.3	Very high	96.8	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.214	C	C	.	.	S	Bend	trans	-150.2	172.3	175.9	0	0	0	0	0	111.8	A284 R287 Y293	A284-G289 WeakPolarHBondContact CB-O 3.31Å; R287-G289 VanDerWaalsContact C-N 3.31Å; R287-G289 PolarHBondContact O-N 2.68Å; G289-Y293 WeakPolarHBondContact O-CE2 3.39Å; G289-Y293 PolarHBondContact O-OH 2.92Å
290	G	98.8	Very high	97	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.205	C	C	.	.			trans	-95.8	127	162.3	0	0	0	0	0	110.2	Y189 F269 S270 N302	Y189-G290 VanDerWaalsContact CE2-CA 3.43Å; Y189-G290 VanDerWaalsContact CE2-N 3.29Å; Y189-G290 VanDerWaalsContact CZ-CA 3.43Å; Y189-G290 PolarHBondContact OH-N 3.37Å; F269-G290 WeakPolarHBondContact CZ-O 3.18Å; S270-G290 CarbonylContact O-C 3.34Å; S270-G290 WeakPolarHBondContact O-CA 3.19Å; G290-N302 WeakPolarHBondContact O-CB 3.43Å; G290-N302 PolarHBondContact O-ND2 2.94Å
291	Y	98.7	Very high	97.2	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.161	C	C	.	.	B	Isolated β-bridge	trans	-159.6	170.1	-176.1	-143.2	-123.8	0	0	0	112.1	L261 H264 S270 Y293 S299 L301 N302	L261-Y291 HydrophobicContact CD2-CE1 4.21Å; L261-Y291 VanDerWaalsContact CD2-OH 3.27Å; L261-Y291 WeakPolarHBondContact CD2-OH 3.12Å; H264-Y291 AromaticContact CE1-CD1 3.88Å; H264-Y291 AromaticContact CE1-CE1 3.97Å; H264-Y291 AromaticContact ND1-CD1 3.9Å; S270-Y291 PolarHBondContact N-O 3.45Å; S270-Y291 PolarHBondContact O-N 2.79Å; S270-Y291 VanDerWaalsContact O-N 3.07Å; Y291-Y293 HydrophobicContact CD1-CD1 4.5Å; Y291-Y293 HydrophobicContact CD1-CE1 4.29Å; Y291-Y293 HydrophobicContact CG-CE1 4.35Å; Y291-Y293 PolarHBondContact O-N 2.91Å; Y291-S299 VanDerWaalsContact CE1-O 3.31Å; Y291-S299 WeakPolarHBondContact CE1-O 3.4Å; Y291-L301 HydrophobicContact CE2-CB 4.24Å; Y291-L301 WeakPolarHBondContact OH-CD1 3.37Å; Y291-L301 WeakPolarHBondContact OH-CG 3.47Å; Y291-N302 HydrophobicContact CD2-CB 4.17Å
292	W	98.6	Very high	97.5	Very high	1 Å²	1	26.7 Å²	26.7	0%	0.004	14%	0.135	C	C	.	.			trans	-79	59.5	172.6	-58.4	-80.4	0	0	0	111.2	W201 F236 L238 Y245 L247 H264 T267 A268 F269 M335	W201-W292 AromaticContact CH2-CH2 3.78Å; W201-W292 HydrophobicContact CH2-CH2 3.78Å; W201-W292 HydrophobicContact CH2-CZ2 4.49Å; W201-W292 HydrophobicContact CH2-CZ3 4.35Å; W201-W292 HydrophobicContact CZ2-CH2 4.37Å; F236-W292 HydrophobicContact CE2-CH2 4.48Å; L238-W292 HydrophobicContact CD1-CZ2 3.76Å; L238-W292 HydrophobicContact CD2-CH2 4.18Å; L238-W292 HydrophobicContact CD2-CZ2 3.3Å; L238-W292 HydrophobicContact CG-CZ2 4.18Å; Y245-W292 PolarHBondContact O-NE1 3.32Å; L247-W292 HydrophobicContact CB-CB 4.19Å; L247-W292 VanDerWaalsContact CB-CD1 3.47Å; L247-W292 HydrophobicContact CB-CD2 3.89Å; L247-W292 HydrophobicContact CB-CG 3.6Å; L247-W292 HydrophobicContact CD1-CD2 4.44Å; L247-W292 HydrophobicContact CD1-CZ2 4.46Å; L247-W292 HydrophobicContact CD2-CB 4.19Å; L247-W292 HydrophobicContact CD2-CD2 3.85Å; L247-W292 HydrophobicContact CD2-CE3 3.88Å; L247-W292 HydrophobicContact CD2-CG 4Å; L247-W292 HydrophobicContact CG-CD2 4.29Å; L247-W292 HydrophobicContact CG-CG 4.38Å; H264-W292 HydrophobicContact CB-CB 4.26Å; H264-W292 PolarHBondContact ND1-O 2.92Å; T267-W292 WeakPolarHBondContact OG1-CB 3.37Å; T267-W292 PolarHBondContact OG1-O 3.18Å; A268-W292 WeakPolarHBondContact O-CA 3.37Å; F269-W292 AromaticContact CD2-CD1 3.82Å; F269-W292 AromaticContact CD2-CD2 3.87Å; F269-W292 HydrophobicContact CD2-CD2 3.87Å; F269-W292 AromaticContact CD2-CE2 3.59Å; F269-W292 HydrophobicContact CD2-CG 4.02Å; F269-W292 HydrophobicContact CD2-CZ2 4.06Å; F269-W292 AromaticContact CD2-NE1 3.56Å; F269-W292 HydrophobicContact CE2-CD2 4.31Å; F269-W292 HydrophobicContact CE2-CZ2 4.23Å; W292-M335 HydrophobicContact CZ3-CE 4.21Å
293	Y	98.6	Very high	97.6	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.112	C	C	.	.			trans	-63.6	145.4	-175	-64.7	-61.1	0	0	0	112.3	C283 A284 R287 G289 Y291 T297 N300	C283-Y293 HydrophobicContact CB-CD1 4.21Å; C283-Y293 HydrophobicContact CB-CD2 4.04Å; C283-Y293 HydrophobicContact CB-CG 3.69Å; A284-Y293 VanDerWaalsContact CA-CE2 3.45Å; A284-Y293 HydrophobicContact CB-CD2 4.04Å; A284-Y293 HydrophobicContact CB-CE2 3.78Å; R287-Y293 HydrophobicContact CB-CE1 3.67Å; R287-Y293 WeakPolarHBondContact CB-OH 3.49Å; R287-Y293 HydrophobicContact CG-CD1 4.43Å; R287-Y293 HydrophobicContact CG-CE1 3.86Å; G289-Y293 WeakPolarHBondContact O-CE2 3.39Å; G289-Y293 PolarHBondContact O-OH 2.92Å; Y291-Y293 HydrophobicContact CD1-CD1 4.5Å; Y291-Y293 HydrophobicContact CD1-CE1 4.29Å; Y291-Y293 HydrophobicContact CG-CE1 4.35Å; Y291-Y293 PolarHBondContact O-N 2.91Å; Y293-T297 WeakPolarHBondContact CD1-OG1 3.27Å; Y293-T297 WeakPolarHBondContact CE1-OG1 3.39Å; Y293-N300 PolarHBondContact OH-OD1 2.77Å
294	N	96.4	Very high	97.6	Very high	35 Å²	35	23.8 Å²	23.8	19%	0.187	13%	0.126	C	C	.	.	S	Bend	trans	-108.3	-103.4	171.2	-165	1.9	0	0	0	108.6	Y263 T267 N278 C296	Y263-N294 HydrophobicContact CD1-CB 4.08Å; Y263-N294 HydrophobicContact CE1-CB 3.54Å; Y263-N294 WeakPolarHBondContact CE2-ND2 3.08Å; Y263-N294 PolarHBondContact O-ND2 2.89Å; Y263-N294 VanDerWaalsContact O-ND2 3.14Å; T267-N294 HydrophobicContact CG2-CB 3.98Å; N278-N294 WeakPolarHBondContact CB-OD1 3.31Å; N278-N294 PolarHBondContact N-O 3.2Å; N278-N294 PolarHBondContact ND2-OD1 3.16Å; N294-C296 PolarHBondContact N-O 2.81Å
295	C	95.1	Very high	97.5	Very high	67 Å²	67	25.4 Å²	25.4	45%	0.453	13%	0.132	S	C	.	.	S	Bend	trans	-141.8	73.4	169.4	-170.2	0	0	0	0	112.1	Y263 C279	Y263-C295 PolarHBondContact OH-N 2.87Å; Y263-C295 PolarHBondContact OH-O 2.81Å; C279-C295 VanDerWaalsContact CA-SG 3.51Å; C279-C295 HydrophobicContact CB-CB 3.48Å; C279-C295 VanDerWaalsContact CB-CB 3.48Å; C279-C295 WeakPolarHBondContact CB-SG 3.45Å; C279-C295 VanDerWaalsContact SG-CA 3.5Å; C279-C295 WeakPolarHBondContact SG-CB 3.37Å; C279-C295 CovalentContact SG-SG 2.05Å; C279-C295 PolarHBondContact SG-SG 2.81Å
296	C	94.5	Very high	97.4	Very high	15 Å²	15	24.5 Å²	24.5	10%	0.101	13%	0.126	C	C	.	.	S	Bend	cis	-107.5	-46.8	-5.7	-76.6	0	0	0	0	112.8	C283 R287 N294	C283-C296 VanDerWaalsContact CA-SG 3.55Å; C283-C296 HydrophobicContact CB-CB 3.64Å; C283-C296 WeakPolarHBondContact CB-SG 3.36Å; C283-C296 WeakPolarHBondContact SG-CA 3.19Å; C283-C296 WeakPolarHBondContact SG-CB 3.05Å; C283-C296 CovalentContact SG-SG 2.04Å; C283-C296 PolarHBondContact SG-SG 3.35Å; R287-C296 HydrophobicContact CG-CB 4.38Å; N294-C296 PolarHBondContact N-O 2.81Å
297	T	96.5	Very high	97.3	Very high	5 Å²	5	28.5 Å²	28.5	3%	0.031	13%	0.134	C	C	.	.			trans	-162.6	139.4	-161	-131.7	0	0	0	0	111.6	H264 R287 Y293 S299 N300 Y321	H264-T297 PolarHBondContact CE1-OG1 2.93Å; R287-T297 HydrophobicContact CG-CG2 4.35Å; Y293-T297 WeakPolarHBondContact CD1-OG1 3.27Å; Y293-T297 WeakPolarHBondContact CE1-OG1 3.39Å; T297-S299 PolarHBondContact OG1-O 3.4Å; T297-N300 HydrophobicContact CG2-CB 4.1Å; T297-Y321 HydrophobicContact CG2-CE1 4.49Å; T297-Y321 WeakPolarHBondContact O-CE2 3.38Å; T297-Y321 PolarHBondContact O-OH 3.04Å
298	D	96.7	Very high	97.1	Very high	51 Å²	51	33.5 Å²	33.5	27%	0.273	16%	0.163	S	C	.	.	S	Bend	trans	-108.2	-16.8	163.6	-79.4	-7.8	0	0	0	111.4	A260 Y263 H264 Y321	A260-D298 HydrophobicContact CB-CB 4.21Å; A260-D298 WeakPolarHBondContact CB-O 3.4Å; Y263-D298 WeakPolarHBondContact CB-OD2 3.27Å; Y263-D298 HydrophobicContact CD1-CB 4.18Å; Y263-D298 HydrophobicContact CG-CB 4.34Å; H264-D298 PolarHBondContact NE2-N 2.93Å; H264-D298 VanDerWaalsContact NE2-N 3.14Å; D298-Y321 HydrophobicContact CB-CD2 4.28Å; D298-Y321 WeakPolarHBondContact O-CB 3.41Å; D298-Y321 VanDerWaalsContact O-CD1 3.28Å; D298-Y321 WeakPolarHBondContact O-CD1 3.45Å; D298-Y321 PolarHBondContact O-N 3.31Å
299	S	97.6	Very high	96.7	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.148	C	C	.	.	B	Isolated β-bridge	trans	-134.5	148	167.9	55	0	0	0	0	110.2	A260 L261 H264 Y291 T297 T319	A260-S299 PolarHBondContact O-OG 3.06Å; L261-S299 WeakPolarHBondContact CD2-OG 3.25Å; H264-S299 PolarHBondContact NE2-N 3.32Å; H264-S299 PolarHBondContact NE2-OG 2.79Å; Y291-S299 VanDerWaalsContact CE1-O 3.31Å; Y291-S299 WeakPolarHBondContact CE1-O 3.4Å; T297-S299 PolarHBondContact OG1-O 3.4Å; S299-T319 CarbonylContact C-O 3.49Å; S299-T319 WeakPolarHBondContact CA-O 3.38Å
300	N	98.3	Very high	96.5	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.185	C	C	.	.			trans	-141.8	57.8	-179.9	-170	41.5	0	0	0	110.7	R287 Y293 T297 N302 G303 D316 G317 I318 T319	R287-N300 PolarHBondContact O-ND2 2.73Å; Y293-N300 PolarHBondContact OH-OD1 2.77Å; T297-N300 HydrophobicContact CG2-CB 4.1Å; N300-N302 PolarHBondContact O-N 2.86Å; N300-G303 VanDerWaalsContact ND2-CA 3.29Å; N300-G303 WeakPolarHBondContact ND2-CA 3.43Å; N300-G303 PolarHBondContact O-N 3.01Å; N300-D316 PolarHBondContact ND2-O 2.57Å; N300-G317 PolarHBondContact ND2-O 3.28Å; N300-I318 WeakPolarHBondContact O-CA 3.36Å; N300-T319 WeakPolarHBondContact CB-OG1 3.14Å; N300-T319 PolarHBondContact N-O 2.73Å
301	L	98.6	Very high	95.9	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-18.4	-172.8	-56.2	-178	0	0	0	113.7	Q173 R175 V219 Y291 W320 L330 V333 M335	Q173-L301 PolarHBondContact NE2-O 2.92Å; R175-L301 PolarHBondContact NH1-O 2.83Å; V219-L301 HydrophobicContact CG1-CD1 3.64Å; Y291-L301 HydrophobicContact CE2-CB 4.24Å; Y291-L301 WeakPolarHBondContact OH-CD1 3.37Å; Y291-L301 WeakPolarHBondContact OH-CG 3.47Å; L301-W320 HydrophobicContact CD1-CZ3 4.44Å; L301-W320 HydrophobicContact CD2-CE3 4.21Å; L301-L330 HydrophobicContact CD2-CD1 4.37Å; L301-V333 HydrophobicContact CB-CG1 4.25Å; L301-V333 HydrophobicContact CD1-CG1 4Å; L301-V333 HydrophobicContact CD2-CG1 4.01Å; L301-V333 HydrophobicContact CD2-CG2 4.22Å; L301-V333 HydrophobicContact CG-CG1 4.3Å; L301-M335 HydrophobicContact CD1-CG 4.13Å; L301-M335 HydrophobicContact CD1-SD 4.02Å
302	N	98.8	Very high	95.1	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.2	11.9	176.5	-72	-10.2	0	0	0	113.5	Q173 R175 F182 G290 Y291 N300	Q173-N302 PolarHBondContact NE2-OD1 3.17Å; R175-N302 VanDerWaalsContact NH1-C 3.32Å; F182-N302 WeakPolarHBondContact CB-O 3.29Å; F182-N302 HydrophobicContact CD1-CB 4.01Å; G290-N302 WeakPolarHBondContact O-CB 3.43Å; G290-N302 PolarHBondContact O-ND2 2.94Å; Y291-N302 HydrophobicContact CD2-CB 4.17Å; N300-N302 PolarHBondContact O-N 2.86Å
303	G	97.8	Very high	94.3	Very high	1 Å²	1	53.9 Å²	53.9	1%	0.01	26%	0.262	C	S	.	.	S	Bend	trans	-71.1	-175	178.6	0	0	0	0	0	115.3	R175 N300 D316	R175-G303 PolarHBondContact NH1-O 3.04Å; R175-G303 PolarHBondContact NH2-O 2.69Å; N300-G303 VanDerWaalsContact ND2-CA 3.29Å; N300-G303 WeakPolarHBondContact ND2-CA 3.43Å; N300-G303 PolarHBondContact O-N 3.01Å; G303-D316 CarbonylContact C-O 3.53Å; G303-D316 VanDerWaalsContact CA-O 3.27Å; G303-D316 WeakPolarHBondContact CA-O 3.43Å
304	V	97.4	Very high	93.8	Very high	47 Å²	47	58.2 Å²	58.2	29%	0.285	28%	0.281	S	S	.	.	B	Isolated β-bridge	trans	-64.1	133.5	174.9	-177	0	0	0	0	110.1	K288 Y306 D316 G317 I318 S329	K288-V304 HydrophobicContact CB-CG2 3.6Å; K288-V304 HydrophobicContact CG-CG2 3.96Å; V304-Y306 HydrophobicContact CB-CD2 4.26Å; V304-Y306 HydrophobicContact CB-CE2 3.73Å; V304-Y306 HydrophobicContact CG1-CD2 4.2Å; V304-Y306 HydrophobicContact CG1-CE1 4.23Å; V304-Y306 HydrophobicContact CG1-CE2 3.79Å; V304-Y306 PolarHBondContact O-N 3.43Å; V304-D316 HydrophobicContact CG2-CB 4.24Å; V304-D316 PolarHBondContact N-O 2.81Å; V304-G317 CarbonylContact O-C 3.49Å; V304-G317 VanDerWaalsContact O-CA 3.29Å; V304-G317 WeakPolarHBondContact O-CA 3.28Å; V304-I318 PolarHBondContact O-N 3.14Å; V304-S329 PolarHBondContact O-OG 2.88Å
305	Y	96.8	Very high	93.6	Very high	37 Å²	37	60.3 Å²	60.3	15%	0.145	29%	0.292	C	S	.	.			trans	-81	100.6	176.3	-167.3	-79	0	0	0	109.8	W224 R307 I318 K331	W224-Y305 HydrophobicContact CH2-CE1 4.01Å; W224-Y305 AromaticContact CZ2-CE1 3.9Å; W224-Y305 HydrophobicContact CZ2-CE1 3.9Å; Y305-R307 HydrophobicContact CD1-CG 4.41Å; Y305-R307 HydrophobicContact CE1-CG 4.15Å; Y305-I318 HydrophobicContact CD2-CD1 3.41Å; Y305-I318 VanDerWaalsContact CD2-CD1 3.41Å; Y305-I318 HydrophobicContact CE2-CD1 4.19Å; Y305-I318 HydrophobicContact CG-CD1 4.09Å; Y305-K331 VanDerWaalsContact CE2-O 3.25Å; Y305-K331 WeakPolarHBondContact CE2-O 3.43Å; Y305-K331 PolarHBondContact OH-O 2.89Å
306	Y	96.3	Very high	93.7	Very high	56 Å²	56	57.4 Å²	57.4	22%	0.22	27%	0.272	C	S	.	.			trans	-91.5	133	169.6	-65.2	-81	0	0	0	110.7	W224 V304 H311 D316 S329	W224-Y306 WeakPolarHBondContact CZ2-O 3.39Å; V304-Y306 HydrophobicContact CB-CD2 4.26Å; V304-Y306 HydrophobicContact CB-CE2 3.73Å; V304-Y306 HydrophobicContact CG1-CD2 4.2Å; V304-Y306 HydrophobicContact CG1-CE1 4.23Å; V304-Y306 HydrophobicContact CG1-CE2 3.79Å; V304-Y306 PolarHBondContact O-N 3.43Å; Y306-H311 HydrophobicContact CD1-CB 4.16Å; Y306-H311 HydrophobicContact CD2-CB 4.08Å; Y306-H311 AromaticContact CD2-CD2 3.54Å; Y306-H311 AromaticContact CD2-CG 3.58Å; Y306-H311 AromaticContact CD2-ND1 3.95Å; Y306-H311 AromaticContact CD2-NE2 3.91Å; Y306-H311 HydrophobicContact CE2-CB 4.43Å; Y306-H311 AromaticContact CE2-CG 3.91Å; Y306-H311 AromaticContact CE2-ND1 3.85Å; Y306-H311 HydrophobicContact CG-CB 3.93Å; Y306-H311 AromaticContact CG-CD2 3.97Å; Y306-H311 AromaticContact CG-CG 3.92Å; Y306-D316 WeakPolarHBondContact CE2-OD1 3.33Å; Y306-D316 PolarHBondContact OH-OD1 2.86Å; Y306-S329 PolarHBondContact N-OG 3.38Å
307	R	94.3	Very high	93.8	Very high	178 Å²	178	56.7 Å²	56.7	67%	0.672	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.4	149.9	173.7	-64.2	-176.1	179.9	-173.9	0.2	109.9	W224 Y305 G309	W224-R307 HydrophobicContact CH2-CB 4.01Å; W224-R307 HydrophobicContact CH2-CG 4.1Å; W224-R307 VanDerWaalsContact CZ2-CA 3.48Å; W224-R307 HydrophobicContact CZ2-CB 4.35Å; Y305-R307 HydrophobicContact CD1-CG 4.41Å; Y305-R307 HydrophobicContact CE1-CG 4.15Å; R307-G309 VanDerWaalsContact C-N 3.26Å; R307-G309 PolarHBondContact O-N 2.56Å
308	L	92.6	Very high	93.9	Very high	140 Å²	140	56.5 Å²	56.5	73%	0.733	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	69	15.7	177.3	-47.3	174.9	0	0	0	115.3	W224 E310	W224-L308 VanDerWaalsContact CE2-N 3.33Å; L308-E310 VanDerWaalsContact C-N 3.34Å; L308-E310 PolarHBondContact O-N 3.13Å
309	G	90.9	Very high	93.9	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	25%	0.254	C	S	.	.	S	Bend	trans	80.9	-77.2	169.5	0	0	0	0	0	112.8	R307 H311 Y328 S329	R307-G309 VanDerWaalsContact C-N 3.26Å; R307-G309 PolarHBondContact O-N 2.56Å; G309-H311 PolarHBondContact O-CD2 3.11Å; G309-H311 PolarHBondContact O-N 2.94Å; G309-Y328 CarbonylContact O-C 3.58Å; G309-Y328 WeakPolarHBondContact O-CA 3.34Å; G309-S329 WeakPolarHBondContact CA-O 3.36Å; G309-S329 PolarHBondContact O-N 3.4Å
310	E	92.3	Very high	93.9	Very high	167 Å²	167	54.2 Å²	54.2	78%	0.78	25%	0.254	S	S	*	.	B	Isolated β-bridge	trans	-65.3	128.3	-170.9	-65.1	-172.6	170.7	0	0	112.8	L308 T327 Y328	L308-E310 VanDerWaalsContact C-N 3.34Å; L308-E310 PolarHBondContact O-N 3.13Å; E310-T327 WeakPolarHBondContact CA-O 3.42Å; E310-Y328 HydrophobicContact CG-CD2 4.32Å
311	H	87.3	Confident	93.8	Very high	14 Å²	14	56.9 Å²	56.9	7%	0.065	27%	0.265	C	S	.	.			trans	-145.5	132.7	170.5	64.6	88	0	0	0	110.4	Y306 G309 H314 T327	Y306-H311 HydrophobicContact CD1-CB 4.16Å; Y306-H311 HydrophobicContact CD2-CB 4.08Å; Y306-H311 AromaticContact CD2-CD2 3.54Å; Y306-H311 AromaticContact CD2-CG 3.58Å; Y306-H311 AromaticContact CD2-ND1 3.95Å; Y306-H311 AromaticContact CD2-NE2 3.91Å; Y306-H311 HydrophobicContact CE2-CB 4.43Å; Y306-H311 AromaticContact CE2-CG 3.91Å; Y306-H311 AromaticContact CE2-ND1 3.85Å; Y306-H311 HydrophobicContact CG-CB 3.93Å; Y306-H311 AromaticContact CG-CD2 3.97Å; Y306-H311 AromaticContact CG-CG 3.92Å; G309-H311 PolarHBondContact O-CD2 3.11Å; G309-H311 PolarHBondContact O-N 2.94Å; H311-H314 PolarHBondContact CE1-O 2.8Å; H311-H314 VanDerWaalsContact CE1-O 3.24Å; H311-H314 PolarHBondContact ND1-O 3.24Å; H311-T327 PolarHBondContact N-O 2.94Å; H311-T327 CarbonylContact O-C 3.55Å; H311-T327 WeakPolarHBondContact O-CA 3.4Å; H311-T327 VanDerWaalsContact O-CB 3.28Å; H311-T327 WeakPolarHBondContact O-CB 3.13Å; H311-T327 VanDerWaalsContact O-O 3.12Å
312	N	80.9	Confident	93.5	Very high	153 Å²	153	57.9 Å²	57.9	82%	0.818	27%	0.274	S	S	*	.			trans	-118.8	-6.5	-176.5	58.7	0.7	0	0	0	113.6
313	K	81.7	Confident	93.3	Very high	166 Å²	166	60.6 Å²	60.6	72%	0.722	29%	0.285	S	S	*	.	S	Bend	trans	-76.7	-39.2	-175.5	-166	-178.7	177.3	179.2	0	112.8
314	H	88.4	Confident	93.2	Very high	90 Å²	90	63.4 Å²	63.4	42%	0.417	30%	0.297	S	S	.	.			trans	-142.1	148.9	-176.7	-58.6	-53.9	0	0	0	109.2	H311 D316	H311-H314 PolarHBondContact CE1-O 2.8Å; H311-H314 VanDerWaalsContact CE1-O 3.24Å; H311-H314 PolarHBondContact ND1-O 3.24Å; H314-D316 VanDerWaalsContact C-N 3.29Å; H314-D316 HydrophobicContact CB-CB 4.49Å; H314-D316 VanDerWaalsContact CB-CG 3.49Å; H314-D316 WeakPolarHBondContact CB-OD1 3.26Å; H314-D316 PolarHBondContact O-N 3.01Å
315	L	92.9	Very high	93	Very high	79 Å²	79	62.4 Å²	62.4	41%	0.414	30%	0.297	S	S	.	.	S	Bend	trans	-97	44.9	177.6	-57	177	0	0	0	110.7	R287 T327	R287-L315 WeakPolarHBondContact CD-O 3.27Å; R287-L315 PolarHBondContact NH1-O 3.42Å; L315-T327 HydrophobicContact CD2-CG2 3.89Å
316	D	96.6	Very high	92.8	Very high	7 Å²	7	62.3 Å²	62.3	4%	0.037	30%	0.302	C	S	.	.			trans	-120.1	11.3	-170.6	60.9	-2.1	0	0	0	113.5	K288 N300 G303 V304 Y306 H314	K288-D316 HydrophobicContact CB-CB 4.13Å; K288-D316 HydrophobicContact CG-CB 3.75Å; K288-D316 VanDerWaalsContact CG-OD2 3.23Å; K288-D316 WeakPolarHBondContact CG-OD2 3.27Å; N300-D316 PolarHBondContact ND2-O 2.57Å; G303-D316 CarbonylContact C-O 3.53Å; G303-D316 VanDerWaalsContact CA-O 3.27Å; G303-D316 WeakPolarHBondContact CA-O 3.43Å; V304-D316 HydrophobicContact CG2-CB 4.24Å; V304-D316 PolarHBondContact N-O 2.81Å; Y306-D316 WeakPolarHBondContact CE2-OD1 3.33Å; Y306-D316 PolarHBondContact OH-OD1 2.86Å; H314-D316 VanDerWaalsContact C-N 3.29Å; H314-D316 HydrophobicContact CB-CB 4.49Å; H314-D316 VanDerWaalsContact CB-CG 3.49Å; H314-D316 WeakPolarHBondContact CB-OD1 3.26Å; H314-D316 PolarHBondContact O-N 3.01Å
317	G	97.3	Very high	92.8	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	31%	0.311	C	S	.	.	B	Isolated β-bridge	trans	-70.5	179.5	179.8	0	0	0	0	0	114.6	N300 V304 T319	N300-G317 PolarHBondContact ND2-O 3.28Å; V304-G317 CarbonylContact O-C 3.49Å; V304-G317 VanDerWaalsContact O-CA 3.29Å; V304-G317 WeakPolarHBondContact O-CA 3.28Å; G317-T319 PolarHBondContact O-N 3.15Å; G317-T319 VanDerWaalsContact O-N 3.08Å
318	I	98.1	Very high	92.9	Very high	1 Å²	1	55.2 Å²	55.2	1%	0.005	28%	0.282	C	S	.	.	S	Bend	trans	-79.3	83.2	172.2	-56.1	174.5	0	0	0	109	R175 N300 V304 Y305 S329 L330 V333	R175-I318 HydrophobicContact CB-CD1 3.96Å; R175-I318 HydrophobicContact CG-CD1 4.07Å; N300-I318 WeakPolarHBondContact O-CA 3.36Å; V304-I318 PolarHBondContact O-N 3.14Å; Y305-I318 HydrophobicContact CD2-CD1 3.41Å; Y305-I318 VanDerWaalsContact CD2-CD1 3.41Å; Y305-I318 HydrophobicContact CE2-CD1 4.19Å; Y305-I318 HydrophobicContact CG-CD1 4.09Å; I318-S329 PolarHBondContact N-OG 3.14Å; I318-S329 CarbonylContact O-C 3.58Å; I318-S329 WeakPolarHBondContact O-CA 3.4Å; I318-L330 HydrophobicContact CG2-CB 4.06Å; I318-L330 WeakPolarHBondContact O-CB 3.28Å; I318-L330 WeakPolarHBondContact O-CG 3.28Å; I318-L330 PolarHBondContact O-N 3.4Å; I318-V333 HydrophobicContact CG2-CG2 3.6Å
319	T	97	Very high	93.1	Very high	1 Å²	1	48.5 Å²	48.5	1%	0.006	25%	0.247	C	C	.	.			trans	-106.2	148.9	-167.8	57.8	0	0	0	0	113.1	S299 N300 G317 Y321 Y328	S299-T319 CarbonylContact C-O 3.49Å; S299-T319 WeakPolarHBondContact CA-O 3.38Å; N300-T319 WeakPolarHBondContact CB-OG1 3.14Å; N300-T319 PolarHBondContact N-O 2.73Å; G317-T319 PolarHBondContact O-N 3.15Å; G317-T319 VanDerWaalsContact O-N 3.08Å; T319-Y321 HydrophobicContact CG2-CE1 4.43Å; T319-Y328 WeakPolarHBondContact CG2-O 3.38Å
320	W	97.6	Very high	93.5	Very high	2 Å²	2	48.6 Å²	48.6	1%	0.008	25%	0.248	C	C	.	.	B	Isolated β-bridge	trans	-130.6	103.5	160.8	-173.5	-78.9	0	0	0	107.9	V219 M221 A231 Y233 V256 N258 A260 L261 L301 G322 W323 H324 L330	V219-W320 HydrophobicContact CG1-CZ3 4.39Å; M221-W320 HydrophobicContact CE-CD2 3.88Å; M221-W320 HydrophobicContact CE-CE3 3.94Å; M221-W320 HydrophobicContact CE-CG 4.32Å; M221-W320 HydrophobicContact CE-CZ2 4.5Å; M221-W320 HydrophobicContact CE-CZ3 4.27Å; M221-W320 HydrophobicContact SD-CB 3.85Å; M221-W320 HydrophobicContact SD-CD2 3.71Å; M221-W320 HydrophobicContact SD-CE3 3.61Å; M221-W320 HydrophobicContact SD-CG 3.84Å; M221-W320 HydrophobicContact SD-CZ3 4.37Å; A231-W320 HydrophobicContact CB-CH2 3.62Å; A231-W320 HydrophobicContact CB-CZ2 3.85Å; Y233-W320 WeakPolarHBondContact OH-CH2 3.32Å; V256-W320 HydrophobicContact CG1-CZ2 3.65Å; V256-W320 VanDerWaalsContact CG2-CD1 3.49Å; V256-W320 HydrophobicContact CG2-CG 4.2Å; N258-W320 PolarHBondContact O-NE1 3.16Å; A260-W320 HydrophobicContact CB-CD2 3.65Å; A260-W320 VanDerWaalsContact CB-CE2 3.4Å; A260-W320 HydrophobicContact CB-CE3 4.21Å; A260-W320 HydrophobicContact CB-CG 3.97Å; A260-W320 HydrophobicContact CB-CH2 4.37Å; A260-W320 HydrophobicContact CB-CZ2 3.81Å; L261-W320 HydrophobicContact CB-CH2 4.41Å; L261-W320 HydrophobicContact CD1-CH2 3.87Å; L261-W320 HydrophobicContact CD1-CZ3 3.82Å; L261-W320 HydrophobicContact CG-CH2 3.8Å; L261-W320 HydrophobicContact CG-CZ3 3.74Å; L301-W320 HydrophobicContact CD1-CZ3 4.44Å; L301-W320 HydrophobicContact CD2-CE3 4.21Å; W320-G322 PolarHBondContact O-N 2.87Å; W320-W323 PolarHBondContact O-N 2.86Å; W320-H324 PolarHBondContact O-N 3.21Å; W320-L330 HydrophobicContact CB-CD1 4.21Å
321	Y	95.3	Very high	93.7	Very high	56 Å²	56	43.1 Å²	43.1	22%	0.22	22%	0.221	C	C	.	.	H	α-helix	trans	-63.5	-33.8	-168.7	-73.6	11.1	0	0	0	112.5	R287 T297 D298 T319 W323 G325	R287-Y321 PolarHBondContact NH1-OH 2.99Å; T297-Y321 HydrophobicContact CG2-CE1 4.49Å; T297-Y321 WeakPolarHBondContact O-CE2 3.38Å; T297-Y321 PolarHBondContact O-OH 3.04Å; D298-Y321 HydrophobicContact CB-CD2 4.28Å; D298-Y321 WeakPolarHBondContact O-CB 3.41Å; D298-Y321 VanDerWaalsContact O-CD1 3.28Å; D298-Y321 WeakPolarHBondContact O-CD1 3.45Å; D298-Y321 PolarHBondContact O-N 3.31Å; T319-Y321 HydrophobicContact CG2-CE1 4.43Å; Y321-W323 PolarHBondContact O-N 3.14Å; Y321-G325 WeakPolarHBondContact CD1-O 3.35Å; Y321-G325 PolarHBondContact O-N 2.72Å
322	G	93.2	Very high	94.2	Very high	20 Å²	20	48.1 Å²	48.1	21%	0.206	24%	0.239	C	C	.	.	H	α-helix	trans	-63.9	0	176.3	0	0	0	0	0	115.4	G257 N258 W320	G257-G322 VanDerWaalsContact CA-O 3.28Å; G257-G322 WeakPolarHBondContact CA-O 3.48Å; G257-G322 PolarHBondContact N-O 3.35Å; N258-G322 PolarHBondContact N-O 3.45Å; N258-G322 VanDerWaalsContact N-O 3.09Å; W320-G322 PolarHBondContact O-N 2.87Å
323	W	95.3	Very high	95.1	Very high	58 Å²	58	40.9 Å²	40.9	22%	0.22	20%	0.201	C	C	.	.	H	α-helix	trans	-125.2	-68.7	176.6	-173.3	12.6	0	0	0	112.5	M221 D223 N227 R229 V256 W320 Y321 L330	M221-W323 HydrophobicContact CB-CE3 4.49Å; M221-W323 HydrophobicContact CB-CZ3 3.98Å; D223-W323 HydrophobicContact CB-CH2 3.52Å; D223-W323 HydrophobicContact CB-CZ2 3.88Å; D223-W323 HydrophobicContact CB-CZ3 4.21Å; D223-W323 WeakPolarHBondContact OD2-CZ2 3.34Å; N227-W323 HydrophobicContact CB-CH2 4.29Å; N227-W323 HydrophobicContact CB-CZ2 3.93Å; N227-W323 WeakPolarHBondContact O-CH2 3.4Å; R229-W323 HydrophobicContact CB-CE3 4.2Å; R229-W323 HydrophobicContact CB-CH2 4.28Å; R229-W323 HydrophobicContact CB-CZ3 4.04Å; R229-W323 HydrophobicContact CG-CD2 3.98Å; R229-W323 HydrophobicContact CG-CE3 4.04Å; R229-W323 HydrophobicContact CG-CH2 3.77Å; R229-W323 HydrophobicContact CG-CZ2 3.7Å; R229-W323 HydrophobicContact CG-CZ3 3.94Å; V256-W323 HydrophobicContact CG2-CB 3.71Å; V256-W323 HydrophobicContact CG2-CD2 4.43Å; V256-W323 HydrophobicContact CG2-CE3 4.4Å; V256-W323 HydrophobicContact CG2-CG 4.19Å; W320-W323 PolarHBondContact O-N 2.86Å; Y321-W323 PolarHBondContact O-N 3.14Å; W323-L330 HydrophobicContact CE3-CD2 3.72Å; W323-L330 HydrophobicContact CH2-CD2 4.49Å; W323-L330 HydrophobicContact CZ3-CD2 3.55Å
324	H	94.8	Very high	95.9	Very high	59 Å²	59	35 Å²	35	27%	0.273	18%	0.176	S	C	.	.	H	α-helix	trans	-110.9	11.6	-174.8	-72.1	-65.3	0	0	0	113.1	D223 W320 Y328	D223-H324 WeakPolarHBondContact CB-NE2 3.36Å; D223-H324 IonicContact OD2-CE1 3.74Å; D223-H324 IonicContact OD2-NE2 3.16Å; D223-H324 PolarHBondContact OD2-NE2 2.72Å; D223-H324 VanDerWaalsContact OD2-NE2 3.16Å; W320-H324 PolarHBondContact O-N 3.21Å; H324-Y328 VanDerWaalsContact CB-CB 3.44Å; H324-Y328 HydrophobicContact CB-CD1 3.71Å; H324-Y328 HydrophobicContact CB-CD2 4.21Å; H324-Y328 HydrophobicContact CB-CG 3.53Å; H324-Y328 AromaticContact CD2-CD1 3.69Å; H324-Y328 AromaticContact CD2-CE1 3.68Å; H324-Y328 AromaticContact CG-CD1 3.8Å; H324-Y328 AromaticContact CG-CG 3.85Å
325	G	93.5	Very high	96.4	Very high	26 Å²	26	30.7 Å²	30.7	27%	0.268	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.6	-157	-177.9	0	0	0	0	0	113.5	Y321	Y321-G325 WeakPolarHBondContact CD1-O 3.35Å; Y321-G325 PolarHBondContact O-N 2.72Å
326	S	93.4	Very high	96.7	Very high	36 Å²	36	27 Å²	27	25%	0.252	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.2	-6.6	-170.9	62.1	0	0	0	0	115.3
327	T	95.1	Very high	96.7	Very high	67 Å²	67	26.7 Å²	26.7	41%	0.411	14%	0.135	S	C	.	.	S	Bend	trans	-113.3	18.1	-173.1	54	0	0	0	0	112.7	E310 H311 L315	E310-T327 WeakPolarHBondContact CA-O 3.42Å; H311-T327 PolarHBondContact N-O 2.94Å; H311-T327 CarbonylContact O-C 3.55Å; H311-T327 WeakPolarHBondContact O-CA 3.4Å; H311-T327 VanDerWaalsContact O-CB 3.28Å; H311-T327 WeakPolarHBondContact O-CB 3.13Å; H311-T327 VanDerWaalsContact O-O 3.12Å; L315-T327 HydrophobicContact CD2-CG2 3.89Å
328	Y	96.4	Very high	96.7	Very high	17 Å²	17	26.9 Å²	26.9	7%	0.067	14%	0.136	C	C	.	.	B	Isolated β-bridge	trans	-131.1	123.3	179.4	-169.6	-78.2	0	0	0	111	D223 W224 E225 G309 E310 T319 H324 L330	D223-Y328 HydrophobicContact CB-CE1 4.03Å; D223-Y328 WeakPolarHBondContact CB-OH 3.27Å; W224-Y328 WeakPolarHBondContact CB-OH 3.29Å; W224-Y328 AromaticContact CD1-CE1 3.94Å; W224-Y328 AromaticContact CD1-CZ 3.78Å; W224-Y328 PolarHBondContact N-OH 3.01Å; E225-Y328 PolarHBondContact OE2-OH 3.24Å; G309-Y328 CarbonylContact O-C 3.58Å; G309-Y328 WeakPolarHBondContact O-CA 3.34Å; E310-Y328 HydrophobicContact CG-CD2 4.32Å; T319-Y328 WeakPolarHBondContact CG2-O 3.38Å; H324-Y328 VanDerWaalsContact CB-CB 3.44Å; H324-Y328 HydrophobicContact CB-CD1 3.71Å; H324-Y328 HydrophobicContact CB-CD2 4.21Å; H324-Y328 HydrophobicContact CB-CG 3.53Å; H324-Y328 AromaticContact CD2-CD1 3.69Å; H324-Y328 AromaticContact CD2-CE1 3.68Å; H324-Y328 AromaticContact CG-CD1 3.8Å; H324-Y328 AromaticContact CG-CG 3.85Å; Y328-L330 HydrophobicContact CD1-CD2 4.45Å; Y328-L330 HydrophobicContact CE1-CD2 4.36Å
329	S	97.4	Very high	96.6	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.137	C	C	.	.			trans	-96.4	118.2	175.9	-176	0	0	0	0	110.7	W224 V304 Y306 G309 I318	W224-S329 PolarHBondContact NE1-O 3.22Å; V304-S329 PolarHBondContact O-OG 2.88Å; Y306-S329 PolarHBondContact N-OG 3.38Å; G309-S329 WeakPolarHBondContact CA-O 3.36Å; G309-S329 PolarHBondContact O-N 3.4Å; I318-S329 PolarHBondContact N-OG 3.14Å; I318-S329 CarbonylContact O-C 3.58Å; I318-S329 WeakPolarHBondContact O-CA 3.4Å
330	L	97.8	Very high	96.4	Very high	2 Å²	2	30.8 Å²	30.8	1%	0.01	15%	0.154	C	C	.	.			trans	-58	147	176.7	-63.3	170	0	0	0	111.9	M221 L301 I318 W320 W323 Y328 V333	M221-L330 HydrophobicContact CB-CD1 4.06Å; M221-L330 HydrophobicContact CG-CD1 3.85Å; M221-L330 HydrophobicContact SD-CD1 3.79Å; L301-L330 HydrophobicContact CD2-CD1 4.37Å; I318-L330 HydrophobicContact CG2-CB 4.06Å; I318-L330 WeakPolarHBondContact O-CB 3.28Å; I318-L330 WeakPolarHBondContact O-CG 3.28Å; I318-L330 PolarHBondContact O-N 3.4Å; W320-L330 HydrophobicContact CB-CD1 4.21Å; W323-L330 HydrophobicContact CE3-CD2 3.72Å; W323-L330 HydrophobicContact CH2-CD2 4.49Å; W323-L330 HydrophobicContact CZ3-CD2 3.55Å; Y328-L330 HydrophobicContact CD1-CD2 4.45Å; Y328-L330 HydrophobicContact CE1-CD2 4.36Å; L330-V333 HydrophobicContact CB-CG2 3.91Å; L330-V333 HydrophobicContact CD1-CG2 3.71Å; L330-V333 HydrophobicContact CG-CG2 4.48Å
331	K	98.1	Very high	96.1	Very high	51 Å²	51	37 Å²	37	22%	0.222	19%	0.187	C	C	.	.	S	Bend	trans	-77.9	-43.7	-179.8	179.8	-173.9	169.9	-164.1	0	111.5	E222 D223 W224 Y305	E222-K331 WeakPolarHBondContact O-CB 3.15Å; E222-K331 PolarHBondContact O-N 2.68Å; E222-K331 WeakPolarHBondContact OE1-CE 3.27Å; E222-K331 IonicContact OE1-NZ 3.55Å; E222-K331 PolarHBondContact OE1-NZ 2.81Å; D223-K331 WeakPolarHBondContact O-CD 3.38Å; W224-K331 HydrophobicContact CD2-CB 3.82Å; W224-K331 HydrophobicContact CD2-CD 4.26Å; W224-K331 HydrophobicContact CD2-CG 4.01Å; W224-K331 HydrophobicContact CE3-CB 4.39Å; W224-K331 HydrophobicContact CE3-CD 4.11Å; W224-K331 HydrophobicContact CE3-CG 4.06Å; W224-K331 HydrophobicContact CG-CB 4.04Å; W224-K331 HydrophobicContact CH2-CG 4.15Å; W224-K331 HydrophobicContact CZ2-CB 4.07Å; W224-K331 HydrophobicContact CZ2-CG 4.1Å; W224-K331 HydrophobicContact CZ3-CD 4.47Å; W224-K331 HydrophobicContact CZ3-CG 4.14Å; Y305-K331 VanDerWaalsContact CE2-O 3.25Å; Y305-K331 WeakPolarHBondContact CE2-O 3.43Å; Y305-K331 PolarHBondContact OH-O 2.89Å
332	R	98.1	Very high	95.9	Very high	119 Å²	119	34.9 Å²	34.9	45%	0.449	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	145.1	174.7	-50.7	-164.4	179.1	140.4	-13.4	111.9	R175 K176 M221 E222	R175-R332 CarbonylContact O-C 3.31Å; R175-R332 WeakPolarHBondContact O-CA 3.38Å; K176-R332 HydrophobicContact CB-CG 4.15Å; M221-R332 WeakPolarHBondContact CA-O 3.41Å; E222-R332 HydrophobicContact CB-CB 3.85Å; E222-R332 HydrophobicContact CB-CG 4.26Å; E222-R332 PolarHBondContact N-O 2.93Å; E222-R332 PolarHBondContact O-N 2.04Å; E222-R332 VanDerWaalsContact O-N 3.12Å; E222-R332 IonicContact OE1-NH1 3.15Å; E222-R332 WeakPolarHBondContact OE2-CD 3.49Å; E222-R332 IonicContact OE2-CZ 2.84Å; E222-R332 IonicContact OE2-NE 3.91Å; E222-R332 IonicContact OE2-NH1 3.36Å; E222-R332 PolarHBondContact OE2-NH1 3.2Å
333	V	98.3	Very high	95.7	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.006	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	137.9	173.2	179.5	0	0	0	0	109.1	Q173 R174 R175 V219 E220 M221 L301 I318 L330	Q173-V333 PolarHBondContact OE1-O 2.91Å; R174-V333 CarbonylContact C-O 3.51Å; R174-V333 WeakPolarHBondContact CA-O 3.47Å; R175-V333 HydrophobicContact CB-CB 4.32Å; R175-V333 HydrophobicContact CG-CB 4.29Å; R175-V333 PolarHBondContact N-O 3.41Å; R175-V333 PolarHBondContact O-N 2.05Å; V219-V333 HydrophobicContact CG1-CG1 4.18Å; E220-V333 CarbonylContact O-C 3.59Å; E220-V333 VanDerWaalsContact O-CA 3.25Å; E220-V333 WeakPolarHBondContact O-CA 3.34Å; M221-V333 HydrophobicContact CG-CG1 4.46Å; M221-V333 HydrophobicContact CG-CG2 4.24Å; L301-V333 HydrophobicContact CB-CG1 4.25Å; L301-V333 HydrophobicContact CD1-CG1 4Å; L301-V333 HydrophobicContact CD2-CG1 4.01Å; L301-V333 HydrophobicContact CD2-CG2 4.22Å; L301-V333 HydrophobicContact CG-CG1 4.3Å; I318-V333 HydrophobicContact CG2-CG2 3.6Å; L330-V333 HydrophobicContact CB-CG2 3.91Å; L330-V333 HydrophobicContact CD1-CG2 3.71Å; L330-V333 HydrophobicContact CG-CG2 4.48Å
334	E	98.7	Very high	95.1	Very high	43 Å²	43	44.2 Å²	44.2	20%	0.201	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	129.2	166.8	-67.1	-169.7	152.4	0	0	110.1	Q173 R174 V219 E220 K336	Q173-E334 WeakPolarHBondContact O-CA 3.3Å; R174-E334 HydrophobicContact CB-CG 4.4Å; R174-E334 HydrophobicContact CG-CG 4.03Å; R174-E334 IonicContact CZ-OE1 3.47Å; R174-E334 IonicContact NE-OE1 2.63Å; R174-E334 PolarHBondContact NE-OE1 3.26Å; R174-E334 IonicContact NH2-OE1 2.69Å; R174-E334 PolarHBondContact NH2-OE1 3.2Å; R174-E334 VanDerWaalsContact NH2-OE1 3.15Å; V219-E334 CarbonylContact C-O 3.55Å; V219-E334 WeakPolarHBondContact CA-O 2.99Å; E220-E334 PolarHBondContact N-O 3.49Å; E220-E334 PolarHBondContact O-N 3.17Å; E334-K336 WeakPolarHBondContact OE2-CE 3.1Å; E334-K336 IonicContact OE2-NZ 2.75Å; E334-K336 PolarHBondContact OE2-NZ 3.22Å
335	M	98.9	Very high	95.1	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	127.9	165.2	-56.5	178.4	67.5	0	0	108.2	I172 Q173 W201 L217 V219 W292 L301	I172-M335 HydrophobicContact CD1-CB 4.17Å; I172-M335 HydrophobicContact CG1-CB 3.76Å; I172-M335 VanDerWaalsContact CG1-O 3.27Å; I172-M335 WeakPolarHBondContact CG1-O 3.37Å; I172-M335 PolarHBondContact N-O 2.84Å; Q173-M335 HydrophobicContact CB-CB 3.87Å; Q173-M335 HydrophobicContact CB-CG 4.02Å; Q173-M335 HydrophobicContact CB-SD 4.1Å; Q173-M335 HydrophobicContact CG-SD 4.44Å; Q173-M335 PolarHBondContact N-O 3.48Å; Q173-M335 PolarHBondContact O-N 3.09Å; W201-M335 HydrophobicContact CZ3-SD 4.32Å; L217-M335 HydrophobicContact CD1-CB 4.16Å; L217-M335 HydrophobicContact CD1-CE 4.05Å; L217-M335 HydrophobicContact CD2-CE 4.01Å; V219-M335 HydrophobicContact CG1-CG 4.4Å; V219-M335 HydrophobicContact CG2-CE 4.5Å; V219-M335 HydrophobicContact CG2-CG 4.22Å; W292-M335 HydrophobicContact CZ3-CE 4.21Å; L301-M335 HydrophobicContact CD1-CG 4.13Å; L301-M335 HydrophobicContact CD1-SD 4.02Å
336	K	98.8	Very high	95.2	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	144	-176.9	64.5	-169.4	69.5	177.7	0	111.5	D161 W169 T170 I171 R218 E220 E334	D161-K336 IonicContact OD2-NZ 2.72Å; D161-K336 PolarHBondContact OD2-NZ 3.13Å; W169-K336 HydrophobicContact CB-CB 4.16Å; W169-K336 HydrophobicContact CB-CD 3.95Å; W169-K336 HydrophobicContact CB-CG 4.16Å; W169-K336 HydrophobicContact CD2-CD 4.12Å; W169-K336 HydrophobicContact CD2-CG 3.97Å; W169-K336 HydrophobicContact CE3-CB 4.27Å; W169-K336 HydrophobicContact CE3-CD 4.44Å; W169-K336 HydrophobicContact CE3-CG 3.77Å; W169-K336 HydrophobicContact CG-CD 3.91Å; W169-K336 HydrophobicContact CG-CG 4.16Å; W169-K336 HydrophobicContact CZ3-CG 4.45Å; T170-K336 CarbonylContact O-C 3.56Å; T170-K336 VanDerWaalsContact O-CA 3.27Å; T170-K336 WeakPolarHBondContact O-CA 3.16Å; I171-K336 HydrophobicContact CG1-CB 4.01Å; R218-K336 HydrophobicContact CB-CG 3.9Å; R218-K336 HydrophobicContact CG-CG 4.37Å; R218-K336 PolarHBondContact N-O 2.71Å; R218-K336 PolarHBondContact O-N 2.94Å; E220-K336 IonicContact OE2-NZ 2.84Å; E220-K336 PolarHBondContact OE2-NZ 2.81Å; E334-K336 WeakPolarHBondContact OE2-CE 3.1Å; E334-K336 IonicContact OE2-NZ 2.75Å; E334-K336 PolarHBondContact OE2-NZ 3.22Å
337	I	98.5	Very high	95.3	Very high	2 Å²	2	44.9 Å²	44.9	1%	0.01	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	152.4	-174.6	65.7	174.3	0	0	0	111.4	T170 I172 L210 T215 R216 L217 F236	T170-I337 PolarHBondContact N-O 2.95Å; T170-I337 PolarHBondContact O-N 3.3Å; I172-I337 HydrophobicContact CD1-CG2 3.82Å; I172-I337 HydrophobicContact CG1-CG2 4.37Å; I172-I337 HydrophobicContact CG2-CD1 3.73Å; I172-I337 HydrophobicContact CG2-CG1 3.77Å; I172-I337 HydrophobicContact CG2-CG2 4.33Å; L210-I337 HydrophobicContact CB-CD1 3.73Å; L210-I337 HydrophobicContact CD1-CD1 4.3Å; T215-I337 HydrophobicContact CG2-CB 3.62Å; T215-I337 HydrophobicContact CG2-CD1 4.28Å; T215-I337 HydrophobicContact CG2-CG1 4.28Å; T215-I337 HydrophobicContact CG2-CG2 4.32Å; R216-I337 VanDerWaalsContact O-CA 3.29Å; R216-I337 WeakPolarHBondContact O-CA 3.38Å; L217-I337 HydrophobicContact CD1-CG2 3.93Å; F236-I337 HydrophobicContact CD1-CG2 3.7Å; F236-I337 HydrophobicContact CE1-CG2 3.78Å
338	R	96.8	Very high	95.3	Very high	4 Å²	4	43.6 Å²	43.6	2%	0.015	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	147.7	179.9	-176.9	168.8	65.7	166.7	-1	109.2	S165 G167 G168 W169 T215 R216 F342	S165-R338 PolarHBondContact O-NH1 2.94Å; S165-R338 PolarHBondContact O-NH2 3.45Å; G167-R338 WeakPolarHBondContact O-CD 3.28Å; G167-R338 PolarHBondContact O-NH1 3.2Å; G168-R338 WeakPolarHBondContact O-CD 3.24Å; G168-R338 WeakPolarHBondContact O-CG 3.47Å; W169-R338 HydrophobicContact CD2-CB 3.91Å; W169-R338 VanDerWaalsContact CE2-CZ 3.41Å; W169-R338 HydrophobicContact CE3-CB 3.39Å; W169-R338 HydrophobicContact CH2-CB 4.28Å; W169-R338 VanDerWaalsContact CZ2-CZ 3.43Å; W169-R338 HydrophobicContact CZ3-CB 3.59Å; T215-R338 WeakPolarHBondContact CG2-O 3.33Å; R216-R338 HydrophobicContact CG-CB 4.43Å; R216-R338 WeakPolarHBondContact CG-O 3.45Å; R216-R338 VanDerWaalsContact CZ-NE 3.33Å; R216-R338 PolarHBondContact N-O 3.24Å; R216-R338 VanDerWaalsContact NH1-NH2 3.2Å; R216-R338 VanDerWaalsContact NH2-NH2 3.2Å; R216-R338 PolarHBondContact O-N 3.05Å; R338-F342 VanDerWaalsContact CD-CD1 3.43Å; R338-F342 HydrophobicContact CG-CB 3.9Å; R338-F342 HydrophobicContact CG-CD1 4.1Å; R338-F342 HydrophobicContact CG-CD2 4.44Å; R338-F342 HydrophobicContact CG-CG 3.88Å
339	P	95.7	Very high	95.3	Very high	4 Å²	4	45.3 Å²	45.3	3%	0.026	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.7	146.9	175.6	-28.1	37.8	0	0	0	112.5	D128 S130 R216 D341 F342	D128-P339 WeakPolarHBondContact OD2-CD 3.44Å; D128-P339 WeakPolarHBondContact OD2-CG 3.37Å; S130-P339 WeakPolarHBondContact OG-CD 3.43Å; S130-P339 WeakPolarHBondContact OG-CG 3.45Å; R216-P339 PolarHBondContact NE-O 2.57Å; P339-D341 WeakPolarHBondContact CB-OD1 3.06Å; P339-F342 HydrophobicContact CB-CB 4.4Å; P339-F342 WeakPolarHBondContact O-CB 3.07Å; P339-F342 PolarHBondContact O-N 3.45Å
340	E	92.4	Very high	95.1	Very high	79 Å²	79	48.3 Å²	48.3	37%	0.369	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-39.2	179.7	-76.7	175.2	-144	0	0	112.2	P214 T215 R216 S234 H235 F342	P214-E340 WeakPolarHBondContact CA-OE1 3.44Å; P214-E340 HydrophobicContact CB-CB 4.24Å; P214-E340 HydrophobicContact CB-CG 4.16Å; P214-E340 WeakPolarHBondContact CB-OE1 3.39Å; P214-E340 PolarHBondContact O-N 2.89Å; T215-E340 PolarHBondContact N-OE1 3.07Å; R216-E340 HydrophobicContact CB-CG 4.5Å; S234-E340 WeakPolarHBondContact O-CG 3.33Å; H235-E340 IonicContact CE1-OE1 3.6Å; H235-E340 IonicContact CG-OE1 3.75Å; H235-E340 IonicContact ND1-OE1 3.58Å; H235-E340 PolarHBondContact ND1-OE1 3.02Å; E340-F342 VanDerWaalsContact C-N 3.28Å; E340-F342 PolarHBondContact O-N 3.2Å
341	D	90.5	Very high	94.9	Very high	133 Å²	133	51.6 Å²	51.6	71%	0.711	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84	1.5	-177.8	69.4	-25.4	0	0	0	113.9	P339 K343	P339-D341 WeakPolarHBondContact CB-OD1 3.06Å; D341-K343 PolarHBondContact O-N 3.22Å
342	F	92.6	Very high	94.7	Very high	12 Å²	12	51.6 Å²	51.6	5%	0.053	25%	0.25	C	S	.	.			trans	-58.2	131	-179.3	173.1	-94.2	0	0	0	112.6	Y133 G167 R338 P339 E340 P344	Y133-F342 AromaticContact CD1-CE2 3.82Å; Y133-F342 HydrophobicContact CD1-CE2 3.82Å; Y133-F342 AromaticContact CD1-CZ 3.43Å; Y133-F342 HydrophobicContact CD1-CZ 3.43Å; Y133-F342 VanDerWaalsContact CD1-CZ 3.43Å; Y133-F342 AromaticContact CE1-CZ 3.73Å; Y133-F342 HydrophobicContact CE1-CZ 3.73Å; Y133-F342 HydrophobicContact CG-CE2 4.37Å; Y133-F342 HydrophobicContact CG-CZ 4.09Å; G167-F342 WeakPolarHBondContact O-CE1 3.45Å; R338-F342 VanDerWaalsContact CD-CD1 3.43Å; R338-F342 HydrophobicContact CG-CB 3.9Å; R338-F342 HydrophobicContact CG-CD1 4.1Å; R338-F342 HydrophobicContact CG-CD2 4.44Å; R338-F342 HydrophobicContact CG-CG 3.88Å; P339-F342 HydrophobicContact CB-CB 4.4Å; P339-F342 WeakPolarHBondContact O-CB 3.07Å; P339-F342 PolarHBondContact O-N 3.45Å; E340-F342 VanDerWaalsContact C-N 3.28Å; E340-F342 PolarHBondContact O-N 3.2Å; F342-P344 HydrophobicContact CD1-CG 4.42Å; F342-P344 HydrophobicContact CE1-CB 4.21Å; F342-P344 HydrophobicContact CE1-CG 3.88Å
343	K	88.8	Confident	94.4	Very high	172 Å²	172	46 Å²	46	75%	0.748	23%	0.233	S	C	*	.			trans	-116.5	122.1	174.5	-63.1	-179.8	-174	175.6	0	109.7	D341	D341-K343 PolarHBondContact O-N 3.22Å
344	P	82.7	Confident	94	Very high	102 Å²	102	50.1 Å²	50.1	66%	0.662	25%	0.254	S	S	*	.			trans	-61.5	0	179.2	-21.7	31.2	0	0	0	115.8	Y133 R138 F342	Y133-P344 HydrophobicContact CE1-CB 4.48Å; Y133-P344 VanDerWaalsContact CE1-OXT 3.25Å; Y133-P344 WeakPolarHBondContact CE1-OXT 3.48Å; R138-P344 PolarHBondContact NH1-OXT 2.98Å; F342-P344 HydrophobicContact CD1-CG 4.42Å; F342-P344 HydrophobicContact CE1-CB 4.21Å; F342-P344 HydrophobicContact CE1-CG 3.88Å

Retrieved 344 of 344 residues in 71.8 ms (Link to these results)

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