A0A5K4F401_SCHMA Loading...

Aamy domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F401, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 652 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	36	Very low	39.6	Very low	230 Å²	230	158.7 Å²	158.7	100%	1.133	85%	0.845	S	S	*	*				0	85.8	0	-78.5	168	168.9	0	0	105.9
2	T	40	Very low	39.6	Very low	119 Å²	119	160.9 Å²	160.9	73%	0.73	85%	0.846	S	S	*	*				73.7	116.1	100.3	44	0	0	0	0	109.7
3	D	42.2	Very low	39.4	Very low	155 Å²	155	159.1 Å²	159.1	83%	0.829	85%	0.846	S	S	*	*			cis	-156	153.3	25.8	-93.7	-41.6	0	0	0	113.9
4	R	36.6	Very low	39.6	Very low	222 Å²	222	156.1 Å²	156.1	84%	0.838	84%	0.84	S	S	*	*			trans	-67.7	155.9	169.2	-72	164.5	173.8	-175.3	-0.9	111.3
5	L	46.3	Very low	39.7	Very low	169 Å²	169	158.8 Å²	158.8	89%	0.885	84%	0.841	S	S	*	*				-157.9	112.5	129.9	-101.8	164	0	0	0	109.5
6	L	36.1	Very low	39.5	Very low	144 Å²	144	157 Å²	157	75%	0.754	84%	0.841	S	S	*	*			trans	-92.1	138.3	169.9	-80.3	157.7	0	0	0	108.2
7	Y	41.8	Very low	39.4	Very low	228 Å²	228	161.5 Å²	161.5	89%	0.894	84%	0.843	S	S	*	*			trans	-132.5	115	153.8	-113.9	-87.2	0	0	0	109
8	T	36.7	Very low	39.3	Very low	128 Å²	128	160.4 Å²	160.4	79%	0.785	85%	0.845	S	S	*	*			trans	-87.8	137.6	175.8	46.8	0	0	0	0	110.5
9	G	43.7	Very low	39.2	Very low	82 Å²	82	161 Å²	161	85%	0.845	84%	0.843	S	S	*	*			trans	-147.2	97.7	166.3	0	0	0	0	0	110.1
10	N	36	Very low	39	Very low	173 Å²	173	164.9 Å²	164.9	93%	0.925	85%	0.846	S	S	*	*			trans	-65.9	143.4	173.7	-103.3	-18.7	0	0	0	111.5
11	S	40.2	Very low	38.9	Very low	96 Å²	96	164.6 Å²	164.6	67%	0.671	85%	0.846	S	S	*	*			trans	175.5	108.2	130.4	174.4	0	0	0	0	113
12	Q	40	Very low	39	Very low	185 Å²	185	162.2 Å²	162.2	86%	0.864	83%	0.829	S	S	*	*			trans	66.8	114	137.9	-62.1	178	-11.5	0	0	121
13	T	36.9	Very low	38.8	Very low	137 Å²	137	162.7 Å²	162.7	84%	0.84	83%	0.832	S	S	*	*			trans	-71.9	159.3	159.8	47.6	0	0	0	0	111.3
14	P	41.3	Very low	38.6	Very low	117 Å²	117	161.9 Å²	161.9	76%	0.76	83%	0.827	S	S	*	*				-151.7	146.7	92.7	35.6	-15.7	0	0	0	117.5
15	K	41.2	Very low	38.6	Very low	197 Å²	197	157.7 Å²	157.7	86%	0.857	83%	0.826	S	S	*	*			trans	48.5	134.2	143.6	-73.4	-178.3	176.4	177.8	0	122
16	P	37.8	Very low	38.2	Very low	130 Å²	130	158.7 Å²	158.7	84%	0.844	83%	0.826	S	S	*	*			trans	-84.5	135.1	175.3	35.1	-30.3	0	0	0	111.3
17	R	37.2	Very low	38.3	Very low	234 Å²	234	160.9 Å²	160.9	88%	0.883	83%	0.829	S	S	*	*			trans	-108.8	116.5	167.6	-154.2	176.7	-170.6	177.4	0.9	108.5
18	T	37	Very low	37.9	Very low	142 Å²	142	153.6 Å²	153.6	87%	0.871	82%	0.824	S	S	*	*			trans	-67.6	122.1	171.9	-12.5	0	0	0	0	108.6
19	E	37.5	Very low	37.8	Very low	171 Å²	171	157.1 Å²	157.1	80%	0.799	83%	0.828	S	S	*	*			trans	-137.6	127.8	162.2	-124.5	169.7	-157.8	0	0	110.2	N21	E19-N21 PolarHBondContact O-N 3.41Å
20	R	35.9	Very low	37.5	Very low	239 Å²	239	164 Å²	164	90%	0.902	83%	0.83	S	S	*	*			trans	-69.3	116	-176.8	-70.8	170.6	178.4	170.1	-1.8	109.3	K22	R20-K22 PolarHBondContact O-N 3.23Å
21	N	36	Very low	37.4	Very low	159 Å²	159	160.9 Å²	160.9	85%	0.85	82%	0.822	S	S	*	*			trans	-80	99.5	159.9	-79.8	-20	0	0	0	109	E19 V23	E19-N21 PolarHBondContact O-N 3.41Å; N21-V23 PolarHBondContact O-N 3.29Å
22	K	38.4	Very low	37.2	Very low	179 Å²	179	167 Å²	167	78%	0.778	83%	0.832	S	S	*	*			trans	-63	119.6	155.2	-82.9	-179.4	173.1	-178.9	0	107.3	R20 D24	R20-K22 PolarHBondContact O-N 3.23Å; K22-D24 PolarHBondContact O-N 3.26Å
23	V	36.4	Very low	37.1	Very low	130 Å²	130	162.7 Å²	162.7	79%	0.788	82%	0.823	S	S	*	*			trans	-79	95.1	164.2	177.3	0	0	0	0	106.1	N21 V25	N21-V23 PolarHBondContact O-N 3.29Å; V23-V25 PolarHBondContact O-N 3.24Å
24	D	37.1	Very low	37	Very low	137 Å²	137	165.8 Å²	165.8	73%	0.733	82%	0.824	S	S	*	*			trans	-73.2	121	166.1	-79.5	-37.6	0	0	0	108.5	K22 E26	K22-D24 PolarHBondContact O-N 3.26Å; D24-E26 PolarHBondContact O-N 2.84Å
25	V	38.3	Very low	36.9	Very low	134 Å²	134	167.5 Å²	167.5	81%	0.812	83%	0.827	S	S	*	*			trans	-68.6	96.8	173.9	174.7	0	0	0	0	107.6	V23 K27	V23-V25 PolarHBondContact O-N 3.24Å; V25-K27 PolarHBondContact O-N 3.41Å
26	E	36.4	Very low	36.6	Very low	190 Å²	190	167.5 Å²	167.5	89%	0.888	83%	0.828	S	S	*	*			trans	-75.4	116.8	173.3	-140.7	175.7	-165.8	0	0	109.5	D24 G28	D24-E26 PolarHBondContact O-N 2.84Å; E26-G28 PolarHBondContact O-N 2.73Å
27	K	38	Very low	36.6	Very low	190 Å²	190	169.1 Å²	169.1	83%	0.826	83%	0.829	S	S	*	*			trans	-57.5	117.7	176.2	-72.8	174.3	174.7	175.4	0	110	V25 K29	V25-K27 PolarHBondContact O-N 3.41Å; K27-K29 PolarHBondContact O-N 3.13Å
28	G	34.9	Very low	36.7	Very low	75 Å²	75	167.4 Å²	167.4	77%	0.773	83%	0.828	S	S	*	*			trans	-60.1	97.9	160.6	0	0	0	0	0	110.2	E26 Y30	E26-G28 PolarHBondContact O-N 2.73Å; G28-Y30 PolarHBondContact O-N 3.34Å
29	K	34.9	Very low	36.7	Very low	202 Å²	202	167 Å²	167	88%	0.878	83%	0.825	S	S	*	*			trans	-71.4	115.2	163.4	-90.1	179.8	174.3	175.5	0	108	K27 S31	K27-K29 PolarHBondContact O-N 3.13Å; K29-S31 PolarHBondContact O-N 3.29Å; K29-S31 VanDerWaalsContact O-N 3.16Å
30	Y	36.2	Very low	36.5	Very low	226 Å²	226	168.8 Å²	168.8	89%	0.886	83%	0.831	S	S	*	*			trans	-60.3	112.1	158.2	-85.5	-94.8	0	0	0	108.7	G28 Y32	G28-Y30 PolarHBondContact O-N 3.34Å; Y30-Y32 PolarHBondContact O-N 3.46Å
31	S	33.5	Very low	36.4	Very low	109 Å²	109	167.5 Å²	167.5	76%	0.762	83%	0.832	S	S	*	*			trans	-81.3	101.6	167.1	165.5	0	0	0	0	108.4	K29 S33	K29-S31 PolarHBondContact O-N 3.29Å; K29-S31 VanDerWaalsContact O-N 3.16Å; S31-S33 PolarHBondContact O-N 2.84Å
32	Y	36.5	Very low	36.5	Very low	224 Å²	224	168.4 Å²	168.4	88%	0.878	83%	0.831	S	S	*	*			trans	-66.7	105.2	156.3	-99.2	-93.6	0	0	0	107.5	Y30 K34	Y30-Y32 PolarHBondContact O-N 3.46Å; Y32-K34 PolarHBondContact O-N 3.07Å
33	S	37.5	Very low	36.2	Very low	95 Å²	95	168.7 Å²	168.7	66%	0.664	84%	0.835	S	S	*	*			trans	-68.5	125.3	168.3	59.7	0	0	0	0	108.9	S31 N35	S31-S33 PolarHBondContact O-N 2.84Å; S33-N35 PolarHBondContact O-N 3.14Å
34	K	35.9	Very low	36.2	Very low	201 Å²	201	171.9 Å²	171.9	87%	0.874	84%	0.841	S	S	*	*			trans	-55.6	118.2	166.4	-74.2	175.3	170.9	-178.2	0	109.3	Y32	Y32-K34 PolarHBondContact O-N 3.07Å
35	N	38.8	Very low	36.3	Very low	153 Å²	153	173.1 Å²	173.1	82%	0.818	85%	0.848	S	S	*	*			trans	-133.4	74.2	155.5	-91.6	-24.3	0	0	0	107	S33	S33-N35 PolarHBondContact O-N 3.14Å
36	F	35	Very low	36.3	Very low	198 Å²	198	171.2 Å²	171.2	87%	0.868	85%	0.846	S	S	*	*			trans	-153.4	85.7	165.2	-128	-88.2	0	0	0	106
37	D	36.9	Very low	36.3	Very low	163 Å²	163	171 Å²	171	87%	0.872	85%	0.847	S	S	*	*			trans	172.4	78.3	154.4	-94.3	-15.9	0	0	0	107.9
38	K	40.3	Very low	36.1	Very low	198 Å²	198	166.9 Å²	166.9	86%	0.861	84%	0.842	S	S	*	*			trans	-128.9	141.8	153.4	-99.5	-177.6	176.8	178.5	0	105.7
39	T	35.7	Very low	36	Very low	133 Å²	133	168.8 Å²	168.8	82%	0.816	84%	0.843	S	S	*	*	S	Bend	trans	86.2	70.2	177.6	-6.1	0	0	0	0	115.5
40	F	34.4	Very low	36.2	Very low	210 Å²	210	163.6 Å²	163.6	92%	0.921	83%	0.832	S	S	*	*			trans	-167.3	81.1	136.6	-104.2	-74.4	0	0	0	108
41	K	34.2	Very low	36.4	Very low	211 Å²	211	158.1 Å²	158.1	92%	0.917	83%	0.826	S	S	*	*			trans	-141.7	87.5	159.8	-92.9	-166.2	175.9	-173.4	0	106.7
42	E	37.6	Very low	37	Very low	178 Å²	178	161.2 Å²	161.2	83%	0.832	83%	0.826	S	S	*	*			trans	-113	140.6	153	-87.2	-176.1	153.8	0	0	107
43	Q	32.8	Very low	37.4	Very low	185 Å²	185	153.3 Å²	153.3	86%	0.864	80%	0.804	S	S	*	*			trans	72.2	93	166.7	-65	174.1	-21.4	0	0	116.9
44	E	34.8	Very low	38.1	Very low	197 Å²	197	154.5 Å²	154.5	92%	0.921	81%	0.809	S	S	*	*				-165.5	91.4	117.5	-106.5	177	176.8	0	0	108.6
45	D	40	Very low	39.1	Very low	164 Å²	164	151.4 Å²	151.4	88%	0.877	80%	0.798	S	S	*	*			trans	-84.9	130.1	159.4	-89.1	-34.8	0	0	0	108.8
46	A	38.3	Very low	39.7	Very low	93 Å²	93	149.4 Å²	149.4	77%	0.769	78%	0.784	S	S	*	*			trans	55.6	97	144.6	0	0	0	0	0	119.6
47	M	35.3	Very low	40.5	Very low	186 Å²	186	147.9 Å²	147.9	92%	0.916	78%	0.777	S	S	*	*				-161.8	101.8	127	-140.5	134	175	0	0	109
48	S	34.9	Very low	41.4	Very low	103 Å²	103	143.3 Å²	143.3	72%	0.72	76%	0.757	S	S	*	*				77.5	137.2	95.9	-174.9	0	0	0	0	115.2
49	C	33.1	Very low	42.1	Very low	116 Å²	116	139.6 Å²	139.6	78%	0.784	74%	0.743	S	S	*	*			trans	80.1	99	173.8	-65.5	0	0	0	0	116.8
50	S	39.8	Very low	42.9	Very low	93 Å²	93	138.4 Å²	138.4	65%	0.65	73%	0.731	S	S	*	*				76.4	110.8	75.4	-166.9	0	0	0	0	113
51	S	39.9	Very low	43.9	Very low	110 Å²	110	135.2 Å²	135.2	77%	0.769	72%	0.719	S	S	*	*			trans	29.1	92.1	149	62.3	0	0	0	0	117.6
52	K	45.1	Very low	45	Very low	174 Å²	174	129.7 Å²	129.7	76%	0.757	71%	0.707	S	S	*	*			trans	-121.2	100.5	158.9	-74.2	-175.7	177.4	178.7	0	107.8
53	S	45.9	Very low	46.3	Very low	59 Å²	59	131 Å²	131	41%	0.413	70%	0.704	S	S	.	*				67.2	127.4	102.5	-175.5	0	0	0	0	112.7	E55 H56	S53-E55 PolarHBondContact O-N 2.64Å; S53-E55 PolarHBondContact OG-N 3.35Å; S53-E55 PolarHBondContact OG-OE2 2.63Å; S53-H56 PolarHBondContact O-N 3.22Å; S53-H56 VanDerWaalsContact O-N 3.08Å
54	P	51.6	Low	48.5	Very low	119 Å²	119	128.4 Å²	128.4	77%	0.773	70%	0.695	S	S	*	*	T	Hydrogen-bonded Turn	trans	-48.2	-21.1	173	-24.9	32.7	0	0	0	114.3	H56 K57 S58	P54-H56 VanDerWaalsContact C-N 3.25Å; P54-H56 PolarHBondContact O-N 3.42Å; P54-K57 PolarHBondContact O-N 3.48Å; P54-S58 PolarHBondContact O-N 3.23Å
55	E	56.6	Low	50.8	Low	136 Å²	136	123.4 Å²	123.4	64%	0.636	67%	0.674	S	S	*	*	H	α-helix	trans	-55.6	-33.1	175.6	-72.1	168.1	140.6	0	0	113.8	S53 K57 S58 Q59	S53-E55 PolarHBondContact O-N 2.64Å; S53-E55 PolarHBondContact OG-N 3.35Å; S53-E55 PolarHBondContact OG-OE2 2.63Å; E55-K57 VanDerWaalsContact C-N 3.33Å; E55-K57 PolarHBondContact O-N 3.48Å; E55-S58 PolarHBondContact O-N 2.6Å; E55-S58 PolarHBondContact O-OG 3.48Å; E55-Q59 PolarHBondContact O-N 3.03Å
56	H	51.8	Low	52.9	Low	112 Å²	112	118.9 Å²	118.9	52%	0.519	65%	0.653	S	S	.	*	H	α-helix	trans	-74.2	-22.8	-177.4	-144	-63.1	0	0	0	113.4	S53 P54 L60	S53-H56 PolarHBondContact O-N 3.22Å; S53-H56 VanDerWaalsContact O-N 3.08Å; P54-H56 VanDerWaalsContact C-N 3.25Å; P54-H56 PolarHBondContact O-N 3.42Å; H56-L60 PolarHBondContact O-N 2.67Å
57	K	52.1	Low	55.2	Low	166 Å²	166	122.9 Å²	122.9	72%	0.722	65%	0.648	S	S	*	*	H	α-helix	trans	-77.5	-37.6	171.7	-131.4	-179.7	-176.5	-175.1	0	110.7	P54 E55 Q59 L60 E61	P54-K57 PolarHBondContact O-N 3.48Å; E55-K57 VanDerWaalsContact C-N 3.33Å; E55-K57 PolarHBondContact O-N 3.48Å; K57-Q59 VanDerWaalsContact C-N 3.34Å; K57-Q59 PolarHBondContact O-N 2.91Å; K57-L60 PolarHBondContact O-N 3.3Å; K57-E61 PolarHBondContact O-N 3.03Å
58	S	56.3	Low	57.6	Low	66 Å²	66	119 Å²	119	46%	0.462	63%	0.628	S	S	.	*	H	α-helix	trans	-66	-34.7	175.3	83.7	0	0	0	0	112.7	P54 E55 L60 E61 S62	P54-S58 PolarHBondContact O-N 3.23Å; E55-S58 PolarHBondContact O-N 2.6Å; E55-S58 PolarHBondContact O-OG 3.48Å; S58-L60 VanDerWaalsContact C-N 3.31Å; S58-L60 PolarHBondContact O-N 3.32Å; S58-E61 PolarHBondContact O-N 3.17Å; S58-S62 PolarHBondContact O-N 3.43Å
59	Q	54.7	Low	59.9	Low	121 Å²	121	117.3 Å²	117.3	57%	0.565	61%	0.611	S	S	*	*	H	α-helix	trans	-71.3	-24.3	174	-83.1	-165.9	-14.5	0	0	113.5	E55 K57 S62 R63	E55-Q59 PolarHBondContact O-N 3.03Å; K57-Q59 VanDerWaalsContact C-N 3.34Å; K57-Q59 PolarHBondContact O-N 2.91Å; Q59-S62 WeakPolarHBondContact CA-OG 3.36Å; Q59-S62 PolarHBondContact O-OG 3.27Å; Q59-R63 WeakPolarHBondContact O-CG 3.37Å
60	L	51.4	Low	62.3	Low	108 Å²	108	116.3 Å²	116.3	57%	0.565	60%	0.597	S	S	*	*	H	α-helix	trans	-79.4	-39.1	174.4	-141.1	84.6	0	0	0	110.8	H56 K57 S58 S62 R63	H56-L60 PolarHBondContact O-N 2.67Å; K57-L60 PolarHBondContact O-N 3.3Å; S58-L60 VanDerWaalsContact C-N 3.31Å; S58-L60 PolarHBondContact O-N 3.32Å; L60-S62 VanDerWaalsContact C-N 3.3Å; L60-S62 PolarHBondContact O-N 2.88Å; L60-R63 PolarHBondContact O-N 3.41Å; L60-R63 VanDerWaalsContact O-N 3.13Å
61	E	55.7	Low	64.5	Low	142 Å²	142	115.3 Å²	115.3	66%	0.664	58%	0.584	S	S	*	*	H	α-helix	trans	-64.3	-34.1	171.7	-78.2	-178.3	169.8	0	0	112	K57 S58 R63 L64	K57-E61 PolarHBondContact O-N 3.03Å; S58-E61 PolarHBondContact O-N 3.17Å; E61-R63 PolarHBondContact O-N 3.1Å; E61-R63 VanDerWaalsContact O-N 3.16Å; E61-L64 PolarHBondContact O-N 3.12Å; E61-L64 VanDerWaalsContact O-N 3.15Å
62	S	58.3	Low	66.6	Low	95 Å²	95	114.5 Å²	114.5	66%	0.664	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.1	-9.1	174	75.9	0	0	0	0	114.2	S58 Q59 L60	S58-S62 PolarHBondContact O-N 3.43Å; Q59-S62 WeakPolarHBondContact CA-OG 3.36Å; Q59-S62 PolarHBondContact O-OG 3.27Å; L60-S62 VanDerWaalsContact C-N 3.3Å; L60-S62 PolarHBondContact O-N 2.88Å
63	R	64.8	Low	68.4	Low	207 Å²	207	108.8 Å²	108.8	78%	0.781	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.1	-10	174.5	-68.6	179.2	105.3	178.1	6.5	113	Q59 L60 E61	Q59-R63 WeakPolarHBondContact O-CG 3.37Å; L60-R63 PolarHBondContact O-N 3.41Å; L60-R63 VanDerWaalsContact O-N 3.13Å; E61-R63 PolarHBondContact O-N 3.1Å; E61-R63 VanDerWaalsContact O-N 3.16Å
64	L	78.9	Confident	70.1	Confident	129 Å²	129	108.8 Å²	108.8	68%	0.675	54%	0.543	S	S	*	.	S	Bend	trans	-87.8	115.5	178.1	-67.8	169.8	0	0	0	108.9	E61 T66	E61-L64 PolarHBondContact O-N 3.12Å; E61-L64 VanDerWaalsContact O-N 3.15Å; L64-T66 PolarHBondContact O-N 3.29Å
65	L	81.5	Confident	71.7	Confident	92 Å²	92	110.7 Å²	110.7	48%	0.482	54%	0.539	S	S	.	.			trans	-61.4	127.4	171.4	-72.4	152.7	0	0	0	109.1	D69 L70 L73	L65-D69 HydrophobicContact CB-CB 3.94Å; L65-D69 HydrophobicContact CD2-CB 3.41Å; L65-D69 VanDerWaalsContact CD2-CB 3.41Å; L65-D69 HydrophobicContact CG-CB 4.29Å; L65-L70 HydrophobicContact CB-CD2 4.16Å; L65-L70 HydrophobicContact CB-CG 4.03Å; L65-L70 HydrophobicContact CD1-CD2 4.21Å; L65-L73 HydrophobicContact CD1-CD1 3.96Å; L65-L73 HydrophobicContact CD2-CD1 3.71Å
66	T	84.7	Confident	73	Confident	69 Å²	69	109.1 Å²	109.1	42%	0.423	54%	0.54	S	S	.	.			trans	-66.8	168	170.8	63.1	0	0	0	0	110.5	L64 E68 D69 L70	L64-T66 PolarHBondContact O-N 3.29Å; T66-E68 PolarHBondContact O-N 2.89Å; T66-D69 WeakPolarHBondContact CB-OD2 3.05Å; T66-D69 PolarHBondContact N-OD2 3.2Å; T66-D69 PolarHBondContact O-N 2.99Å; T66-D69 VanDerWaalsContact O-N 3.13Å; T66-D69 PolarHBondContact OG1-N 3.34Å; T66-D69 VanDerWaalsContact OG1-N 3.16Å; T66-D69 PolarHBondContact OG1-OD2 2.97Å; T66-L70 WeakPolarHBondContact O-CG 3.23Å; T66-L70 PolarHBondContact O-N 2.87Å
67	R	86.1	Confident	74.6	Confident	177 Å²	177	108 Å²	108	67%	0.668	54%	0.535	S	S	*	.	H	α-helix	trans	-56	-40.5	173.9	173.9	176.7	175	-102.9	5.4	110.9	L70 I71	R67-L70 PolarHBondContact O-N 3.4Å; R67-I71 HydrophobicContact CG-CD1 3.97Å; R67-I71 VanDerWaalsContact O-CG1 3.27Å; R67-I71 WeakPolarHBondContact O-CG1 2.99Å; R67-I71 PolarHBondContact O-N 3.18Å
68	E	85.9	Confident	76.2	Confident	106 Å²	106	102.7 Å²	102.7	50%	0.495	52%	0.517	S	S	.	.	H	α-helix	trans	-66.1	-41.1	177.7	-71.5	62	-135.9	0	0	111.1	T66 L70 I71 N72	T66-E68 PolarHBondContact O-N 2.89Å; E68-L70 PolarHBondContact O-N 3.13Å; E68-I71 PolarHBondContact O-N 3.47Å; E68-N72 PolarHBondContact O-N 3.22Å
69	D	83.8	Confident	77.8	Confident	67 Å²	67	103.6 Å²	103.6	36%	0.358	51%	0.513	S	S	.	.	H	α-helix	trans	-63.8	-40.8	174.6	-58	-43.3	0	0	0	111.9	L65 T66 N72 L73	L65-D69 HydrophobicContact CB-CB 3.94Å; L65-D69 HydrophobicContact CD2-CB 3.41Å; L65-D69 VanDerWaalsContact CD2-CB 3.41Å; L65-D69 HydrophobicContact CG-CB 4.29Å; T66-D69 WeakPolarHBondContact CB-OD2 3.05Å; T66-D69 PolarHBondContact N-OD2 3.2Å; T66-D69 PolarHBondContact O-N 2.99Å; T66-D69 VanDerWaalsContact O-N 3.13Å; T66-D69 PolarHBondContact OG1-N 3.34Å; T66-D69 VanDerWaalsContact OG1-N 3.16Å; T66-D69 PolarHBondContact OG1-OD2 2.97Å; D69-N72 PolarHBondContact O-N 3.4Å; D69-L73 WeakPolarHBondContact O-CB 3.42Å; D69-L73 PolarHBondContact O-N 3.48Å
70	L	83.6	Confident	79.3	Confident	95 Å²	95	104.6 Å²	104.6	50%	0.497	51%	0.512	S	S	.	.	H	α-helix	trans	-64.5	-39.8	175.7	-73.4	168.6	0	0	0	112.4	L65 T66 R67 E68 N72 L73 D74	L65-L70 HydrophobicContact CB-CD2 4.16Å; L65-L70 HydrophobicContact CB-CG 4.03Å; L65-L70 HydrophobicContact CD1-CD2 4.21Å; T66-L70 WeakPolarHBondContact O-CG 3.23Å; T66-L70 PolarHBondContact O-N 2.87Å; R67-L70 PolarHBondContact O-N 3.4Å; E68-L70 PolarHBondContact O-N 3.13Å; L70-N72 VanDerWaalsContact C-N 3.32Å; L70-L73 PolarHBondContact O-N 3.36Å; L70-D74 PolarHBondContact O-N 3.27Å
71	I	85.1	Confident	81	Confident	72 Å²	72	103.8 Å²	103.8	37%	0.369	50%	0.504	S	S	.	.	H	α-helix	trans	-65.9	-37.6	175.6	-70.1	166.4	0	0	0	110.6	R67 E68 K75	R67-I71 HydrophobicContact CG-CD1 3.97Å; R67-I71 VanDerWaalsContact O-CG1 3.27Å; R67-I71 WeakPolarHBondContact O-CG1 2.99Å; R67-I71 PolarHBondContact O-N 3.18Å; E68-I71 PolarHBondContact O-N 3.47Å; I71-K75 PolarHBondContact O-N 3.28Å
72	N	84.3	Confident	82.6	Confident	93 Å²	93	104.6 Å²	104.6	50%	0.497	50%	0.502	S	S	.	.	H	α-helix	trans	-68.3	-40.6	173.4	-91.1	-12.9	0	0	0	111.9	E68 D69 L70 D74 K75 T76	E68-N72 PolarHBondContact O-N 3.22Å; D69-N72 PolarHBondContact O-N 3.4Å; L70-N72 VanDerWaalsContact C-N 3.32Å; N72-D74 VanDerWaalsContact C-N 3.32Å; N72-D74 PolarHBondContact O-N 3.17Å; N72-K75 CarbonylContact O-C 3.38Å; N72-K75 WeakPolarHBondContact O-CA 3.26Å; N72-K75 WeakPolarHBondContact O-CB 2.94Å; N72-K75 PolarHBondContact O-N 2.88Å; N72-T76 PolarHBondContact O-N 3Å; N72-T76 PolarHBondContact O-OG1 3.39Å
73	L	83.1	Confident	84.3	Confident	54 Å²	54	104.1 Å²	104.1	28%	0.283	49%	0.491	S	S	.	.	H	α-helix	trans	-60.1	-41.9	175.5	-125.4	116.3	0	0	0	111.7	L65 D69 L70 K75 T76 E77	L65-L73 HydrophobicContact CD1-CD1 3.96Å; L65-L73 HydrophobicContact CD2-CD1 3.71Å; D69-L73 WeakPolarHBondContact O-CB 3.42Å; D69-L73 PolarHBondContact O-N 3.48Å; L70-L73 PolarHBondContact O-N 3.36Å; L73-K75 PolarHBondContact O-N 3.22Å; L73-T76 PolarHBondContact O-N 3.28Å; L73-T76 PolarHBondContact O-OG1 2.9Å; L73-E77 CarbonylContact O-C 3.41Å; L73-E77 WeakPolarHBondContact O-CA 3.34Å; L73-E77 PolarHBondContact O-N 3.44Å
74	D	82.8	Confident	85.6	Confident	58 Å²	58	101.4 Å²	101.4	31%	0.31	48%	0.481	S	S	.	.	H	α-helix	trans	-63.5	-23.9	174.6	-102.6	9.2	0	0	0	112.4	L70 N72 R84	L70-D74 PolarHBondContact O-N 3.27Å; N72-D74 VanDerWaalsContact C-N 3.32Å; N72-D74 PolarHBondContact O-N 3.17Å; D74-R84 IonicContact OD2-NH2 2.95Å; D74-R84 PolarHBondContact OD2-NH2 3.05Å
75	K	83.4	Confident	86.2	Confident	159 Å²	159	98.7 Å²	98.7	69%	0.691	47%	0.467	S	S	*	.	H	α-helix	trans	-86.3	-39.9	175.3	-73.4	178.6	-179.1	176.5	0	113.1	I71 N72 L73	I71-K75 PolarHBondContact O-N 3.28Å; N72-K75 CarbonylContact O-C 3.38Å; N72-K75 WeakPolarHBondContact O-CA 3.26Å; N72-K75 WeakPolarHBondContact O-CB 2.94Å; N72-K75 PolarHBondContact O-N 2.88Å; L73-K75 PolarHBondContact O-N 3.22Å
76	T	84.8	Confident	86.8	Confident	104 Å²	104	96.3 Å²	96.3	64%	0.638	46%	0.464	S	S	*	.	H	α-helix	trans	-82.2	-36.4	-178.1	53.6	0	0	0	0	112.3	N72 L73	N72-T76 PolarHBondContact O-N 3Å; N72-T76 PolarHBondContact O-OG1 3.39Å; L73-T76 PolarHBondContact O-N 3.28Å; L73-T76 PolarHBondContact O-OG1 2.9Å
77	E	85.6	Confident	87.3	Confident	89 Å²	89	99 Å²	99	42%	0.416	48%	0.475	S	S	.	.			trans	-129.1	70.4	-175.4	-67.9	-172.5	-167.3	0	0	111.5	L73 H79 W80	L73-E77 CarbonylContact O-C 3.41Å; L73-E77 WeakPolarHBondContact O-CA 3.34Å; L73-E77 PolarHBondContact O-N 3.44Å; E77-H79 PolarHBondContact O-N 3.43Å; E77-H79 IonicContact OE2-CE1 2.78Å; E77-H79 PolarHBondContact OE2-CE1 3.21Å; E77-W80 PolarHBondContact OE2-NE1 3.1Å
78	P	86.3	Confident	87.7	Confident	53 Å²	53	96.6 Å²	96.6	34%	0.344	48%	0.475	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-8.1	-176.2	27.7	-36.1	0	0	0	114.1	W80 K81 Y82	P78-W80 PolarHBondContact O-N 3.49Å; P78-K81 WeakPolarHBondContact O-CB 3.36Å; P78-K81 PolarHBondContact O-N 2.99Å; P78-Y82 HydrophobicContact CB-CD2 4.48Å; P78-Y82 HydrophobicContact CB-CE2 3.91Å; P78-Y82 HydrophobicContact CG-CE2 4.38Å; P78-Y82 WeakPolarHBondContact O-CD2 3.48Å; P78-Y82 PolarHBondContact O-N 3.23Å; P78-Y82 VanDerWaalsContact O-N 3.11Å
79	H	89	Confident	88.2	Confident	85 Å²	85	96.1 Å²	96.1	39%	0.394	47%	0.474	S	S	.	.	H	α-helix	trans	-61.3	-39.1	-179.7	79.8	-84.1	0	0	0	112.7	E77 K81 Y82 I83	E77-H79 PolarHBondContact O-N 3.43Å; E77-H79 IonicContact OE2-CE1 2.78Å; E77-H79 PolarHBondContact OE2-CE1 3.21Å; H79-K81 VanDerWaalsContact C-N 3.32Å; H79-K81 PolarHBondContact O-N 3.07Å; H79-Y82 PolarHBondContact O-N 2.95Å; H79-I83 WeakPolarHBondContact O-CG1 3.37Å; H79-I83 PolarHBondContact O-N 3.47Å
80	W	85.6	Confident	88.8	Confident	143 Å²	143	94.6 Å²	94.6	54%	0.542	48%	0.475	S	S	.	.	H	α-helix	trans	-64.1	-37	175.9	-68.7	116	0	0	0	112.4	E77 P78 I83 R84	E77-W80 PolarHBondContact OE2-NE1 3.1Å; P78-W80 PolarHBondContact O-N 3.49Å; W80-I83 HydrophobicContact CE3-CD1 4.22Å; W80-I83 HydrophobicContact CZ3-CD1 4.4Å; W80-I83 PolarHBondContact O-N 3.04Å; W80-R84 WeakPolarHBondContact O-CB 3.19Å; W80-R84 PolarHBondContact O-N 3.5Å
81	K	86.8	Confident	89.4	Confident	90 Å²	90	96.5 Å²	96.5	39%	0.391	48%	0.48	S	S	.	.	H	α-helix	trans	-62.5	-44.1	173.4	178.7	-178.2	174.6	-176.8	0	111.2	P78 H79 R84 I85	P78-K81 WeakPolarHBondContact O-CB 3.36Å; P78-K81 PolarHBondContact O-N 2.99Å; H79-K81 VanDerWaalsContact C-N 3.32Å; H79-K81 PolarHBondContact O-N 3.07Å; K81-R84 PolarHBondContact O-N 3.08Å; K81-I85 HydrophobicContact CG-CD1 3.93Å; K81-I85 VanDerWaalsContact O-CG1 3.3Å; K81-I85 WeakPolarHBondContact O-CG1 3.41Å; K81-I85 PolarHBondContact O-N 2.87Å
82	Y	90.8	Very high	89.9	Confident	160 Å²	160	94 Å²	94	63%	0.627	47%	0.472	S	S	*	.	H	α-helix	trans	-66	-40.9	177	-63.3	-51.5	0	0	0	112.4	P78 H79 I85 G86	P78-Y82 HydrophobicContact CB-CD2 4.48Å; P78-Y82 HydrophobicContact CB-CE2 3.91Å; P78-Y82 HydrophobicContact CG-CE2 4.38Å; P78-Y82 WeakPolarHBondContact O-CD2 3.48Å; P78-Y82 PolarHBondContact O-N 3.23Å; P78-Y82 VanDerWaalsContact O-N 3.11Å; H79-Y82 PolarHBondContact O-N 2.95Å; Y82-I85 PolarHBondContact O-N 2.97Å; Y82-G86 PolarHBondContact O-N 3.16Å
83	I	92.9	Very high	90.4	Very high	84 Å²	84	95.4 Å²	95.4	43%	0.431	48%	0.478	S	S	.	.	H	α-helix	trans	-60.8	-46.9	174.1	-68.3	169.5	0	0	0	110.4	H79 W80 I85 G86 L87	H79-I83 WeakPolarHBondContact O-CG1 3.37Å; H79-I83 PolarHBondContact O-N 3.47Å; W80-I83 HydrophobicContact CE3-CD1 4.22Å; W80-I83 HydrophobicContact CZ3-CD1 4.4Å; W80-I83 PolarHBondContact O-N 3.04Å; I83-I85 PolarHBondContact O-N 3.3Å; I83-G86 PolarHBondContact O-N 3.13Å; I83-L87 HydrophobicContact CG2-CD1 3.96Å; I83-L87 HydrophobicContact CG2-CG 4.34Å; I83-L87 WeakPolarHBondContact O-CB 3.3Å; I83-L87 WeakPolarHBondContact O-CG 3.14Å; I83-L87 PolarHBondContact O-N 3.33Å
84	R	91.5	Very high	91.1	Very high	150 Å²	150	97.9 Å²	97.9	57%	0.566	49%	0.491	S	S	*	.	H	α-helix	trans	-60.6	-44.6	178.4	-177.1	178.2	61.4	-165.8	-9.4	112.2	D74 W80 K81 L87 L88	D74-R84 IonicContact OD2-NH2 2.95Å; D74-R84 PolarHBondContact OD2-NH2 3.05Å; W80-R84 WeakPolarHBondContact O-CB 3.19Å; W80-R84 PolarHBondContact O-N 3.5Å; K81-R84 PolarHBondContact O-N 3.08Å; R84-L87 PolarHBondContact O-N 2.67Å; R84-L88 WeakPolarHBondContact O-CB 3.38Å; R84-L88 PolarHBondContact O-N 2.75Å
85	I	91.9	Very high	91.7	Very high	73 Å²	73	100.2 Å²	100.2	37%	0.374	50%	0.498	S	S	.	.	H	α-helix	trans	-65.4	-42.4	176.3	-68	168.3	0	0	0	110.4	K81 Y82 I83 L88 I89	K81-I85 HydrophobicContact CG-CD1 3.93Å; K81-I85 VanDerWaalsContact O-CG1 3.3Å; K81-I85 WeakPolarHBondContact O-CG1 3.41Å; K81-I85 PolarHBondContact O-N 2.87Å; Y82-I85 PolarHBondContact O-N 2.97Å; I83-I85 PolarHBondContact O-N 3.3Å; I85-L88 PolarHBondContact O-N 2.97Å; I85-I89 HydrophobicContact CG2-CD1 3.69Å; I85-I89 HydrophobicContact CG2-CG1 4.31Å; I85-I89 WeakPolarHBondContact O-CB 3.46Å; I85-I89 VanDerWaalsContact O-CG1 3.3Å; I85-I89 WeakPolarHBondContact O-CG1 3.47Å; I85-I89 PolarHBondContact O-N 3.39Å
86	G	94.4	Very high	92.4	Very high	41 Å²	41	99 Å²	99	42%	0.423	49%	0.493	S	S	.	.	H	α-helix	trans	-61	-43.2	176.5	0	0	0	0	0	112.8	Y82 I83 I89 G90	Y82-G86 PolarHBondContact O-N 3.16Å; I83-G86 PolarHBondContact O-N 3.13Å; G86-I89 PolarHBondContact O-N 3.05Å; G86-G90 PolarHBondContact O-N 2.91Å
87	L	95.5	Very high	92.9	Very high	125 Å²	125	96.2 Å²	96.2	65%	0.654	49%	0.485	S	S	*	.	H	α-helix	trans	-65.4	-39.7	174.2	-71.7	173.5	0	0	0	112.1	I83 R84 G90 F91	I83-L87 HydrophobicContact CG2-CD1 3.96Å; I83-L87 HydrophobicContact CG2-CG 4.34Å; I83-L87 WeakPolarHBondContact O-CB 3.3Å; I83-L87 WeakPolarHBondContact O-CG 3.14Å; I83-L87 PolarHBondContact O-N 3.33Å; R84-L87 PolarHBondContact O-N 2.67Å; L87-G90 PolarHBondContact O-N 3.14Å; L87-F91 VanDerWaalsContact O-CB 3.32Å; L87-F91 WeakPolarHBondContact O-CB 3.49Å; L87-F91 PolarHBondContact O-N 3.44Å
88	L	95.5	Very high	93.5	Very high	128 Å²	128	97.2 Å²	97.2	67%	0.67	49%	0.493	S	S	*	.	H	α-helix	trans	-64.4	-44.6	176.1	-169.1	87.7	0	0	0	111.6	R84 I85 F91 G92	R84-L88 WeakPolarHBondContact O-CB 3.38Å; R84-L88 PolarHBondContact O-N 2.75Å; I85-L88 PolarHBondContact O-N 2.97Å; L88-F91 PolarHBondContact O-N 2.77Å; L88-G92 PolarHBondContact O-N 2.62Å
89	I	95.9	Very high	94	Very high	95 Å²	95	98.6 Å²	98.6	49%	0.487	50%	0.497	S	S	.	.	H	α-helix	trans	-65.3	-44.6	175.8	-67.8	169.5	0	0	0	110.1	I85 G86 F91 G92 I93	I85-I89 HydrophobicContact CG2-CD1 3.69Å; I85-I89 HydrophobicContact CG2-CG1 4.31Å; I85-I89 WeakPolarHBondContact O-CB 3.46Å; I85-I89 VanDerWaalsContact O-CG1 3.3Å; I85-I89 WeakPolarHBondContact O-CG1 3.47Å; I85-I89 PolarHBondContact O-N 3.39Å; G86-I89 PolarHBondContact O-N 3.05Å; I89-F91 PolarHBondContact O-N 3.38Å; I89-G92 WeakPolarHBondContact O-CA 3.47Å; I89-G92 PolarHBondContact O-N 3.12Å; I89-G92 VanDerWaalsContact O-N 3.11Å; I89-I93 HydrophobicContact CG2-CD1 3.8Å; I89-I93 HydrophobicContact CG2-CG1 4.31Å; I89-I93 WeakPolarHBondContact O-CG1 3.36Å; I89-I93 PolarHBondContact O-N 3.1Å
90	G	95.2	Very high	94.3	Very high	36 Å²	36	97 Å²	97	37%	0.371	50%	0.498	S	S	.	.	H	α-helix	trans	-60.1	-43.1	176.7	0	0	0	0	0	112.4	G86 L87 I93 L94	G86-G90 PolarHBondContact O-N 2.91Å; L87-G90 PolarHBondContact O-N 3.14Å; G90-I93 PolarHBondContact O-N 3.33Å; G90-L94 VanDerWaalsContact O-CB 3.3Å; G90-L94 WeakPolarHBondContact O-CB 3.4Å; G90-L94 PolarHBondContact O-N 2.8Å
91	F	96.5	Very high	94.8	Very high	135 Å²	135	92 Å²	92	59%	0.592	49%	0.492	S	S	*	.	H	α-helix	trans	-61.1	-43.9	171.6	176.4	-96.2	0	0	0	111.6	L87 L88 I89 L94 F95	L87-F91 VanDerWaalsContact O-CB 3.32Å; L87-F91 WeakPolarHBondContact O-CB 3.49Å; L87-F91 PolarHBondContact O-N 3.44Å; L88-F91 PolarHBondContact O-N 2.77Å; I89-F91 PolarHBondContact O-N 3.38Å; F91-L94 PolarHBondContact O-N 2.88Å; F91-F95 HydrophobicContact CE1-CB 4.5Å; F91-F95 VanDerWaalsContact O-CB 3.25Å; F91-F95 WeakPolarHBondContact O-CB 3.4Å; F91-F95 PolarHBondContact O-N 3.29Å
92	G	95.3	Very high	95.2	Very high	20 Å²	20	91.2 Å²	91.2	21%	0.206	50%	0.497	C	S	.	.	H	α-helix	trans	-60.1	-48.5	176	0	0	0	0	0	112.8	L88 I89 L94 F95 F96	L88-G92 PolarHBondContact O-N 2.62Å; I89-G92 WeakPolarHBondContact O-CA 3.47Å; I89-G92 PolarHBondContact O-N 3.12Å; I89-G92 VanDerWaalsContact O-N 3.11Å; G92-L94 VanDerWaalsContact C-N 3.33Å; G92-L94 PolarHBondContact O-N 3.19Å; G92-F95 PolarHBondContact O-N 3.01Å; G92-F96 WeakPolarHBondContact O-CB 3.5Å; G92-F96 WeakPolarHBondContact O-CD2 3.37Å; G92-F96 PolarHBondContact O-N 3.42Å
93	I	96.6	Very high	95.3	Very high	121 Å²	121	87.6 Å²	87.6	62%	0.621	49%	0.487	S	S	*	.	H	α-helix	trans	-60.1	-44.4	176.7	-68.3	169.5	0	0	0	110.5	I89 G90 G97	I89-I93 HydrophobicContact CG2-CD1 3.8Å; I89-I93 HydrophobicContact CG2-CG1 4.31Å; I89-I93 WeakPolarHBondContact O-CG1 3.36Å; I89-I93 PolarHBondContact O-N 3.1Å; G90-I93 PolarHBondContact O-N 3.33Å; I93-G97 WeakPolarHBondContact O-CA 3.38Å; I93-G97 PolarHBondContact O-N 3.38Å
94	L	96.2	Very high	95.4	Very high	107 Å²	107	87.3 Å²	87.3	56%	0.56	49%	0.489	S	S	*	.	H	α-helix	trans	-67.2	-42.5	179	-173.4	140.5	0	0	0	111.8	G90 F91 G92 G97 L98	G90-L94 VanDerWaalsContact O-CB 3.3Å; G90-L94 WeakPolarHBondContact O-CB 3.4Å; G90-L94 PolarHBondContact O-N 2.8Å; F91-L94 PolarHBondContact O-N 2.88Å; G92-L94 VanDerWaalsContact C-N 3.33Å; G92-L94 PolarHBondContact O-N 3.19Å; L94-G97 PolarHBondContact O-N 3.45Å; L94-L98 HydrophobicContact CD2-CD1 3.63Å; L94-L98 HydrophobicContact CD2-CG 4.39Å; L94-L98 HydrophobicContact CG-CD1 4.38Å; L94-L98 WeakPolarHBondContact O-CB 3.45Å; L94-L98 VanDerWaalsContact O-CG 3.3Å; L94-L98 WeakPolarHBondContact O-CG 3.34Å; L94-L98 PolarHBondContact O-N 2.89Å
95	F	96.8	Very high	95.4	Very high	106 Å²	106	88.8 Å²	88.8	47%	0.465	50%	0.496	S	S	.	.	H	α-helix	trans	-63.4	-50.6	177.4	179.4	-93.2	0	0	0	111.8	F91 G92 G97 L98 L99	F91-F95 HydrophobicContact CE1-CB 4.5Å; F91-F95 VanDerWaalsContact O-CB 3.25Å; F91-F95 WeakPolarHBondContact O-CB 3.4Å; F91-F95 PolarHBondContact O-N 3.29Å; G92-F95 PolarHBondContact O-N 3.01Å; F95-G97 VanDerWaalsContact C-N 3.34Å; F95-L98 PolarHBondContact O-N 3.04Å; F95-L99 WeakPolarHBondContact O-CB 3.24Å; F95-L99 PolarHBondContact O-N 3.21Å
96	F	96.4	Very high	95.2	Very high	134 Å²	134	91.6 Å²	91.6	59%	0.588	51%	0.51	S	S	*	.	H	α-helix	trans	-69.9	-31.6	177.8	-73.5	-65.7	0	0	0	112.3	G92 L99 A100	G92-F96 WeakPolarHBondContact O-CB 3.5Å; G92-F96 WeakPolarHBondContact O-CD2 3.37Å; G92-F96 PolarHBondContact O-N 3.42Å; F96-L99 HydrophobicContact CD1-CD2 4.32Å; F96-L99 PolarHBondContact O-N 3.15Å; F96-A100 VanDerWaalsContact O-CB 3.23Å; F96-A100 WeakPolarHBondContact O-CB 3.29Å; F96-A100 PolarHBondContact O-N 2.95Å
97	G	96.7	Very high	95	Very high	45 Å²	45	95.6 Å²	95.6	46%	0.464	52%	0.521	S	S	.	.	H	α-helix	trans	-64.7	-44.2	172	0	0	0	0	0	112.4	I93 L94 F95 G101	I93-G97 WeakPolarHBondContact O-CA 3.38Å; I93-G97 PolarHBondContact O-N 3.38Å; L94-G97 PolarHBondContact O-N 3.45Å; F95-G97 VanDerWaalsContact C-N 3.34Å; G97-G101 PolarHBondContact O-N 2.79Å
98	L	96.9	Very high	94.6	Very high	111 Å²	111	96.1 Å²	96.1	58%	0.581	52%	0.524	S	S	*	.	H	α-helix	trans	-65.2	-43.3	173	-75.9	173.8	0	0	0	111.6	L94 F95 G101 C102	L94-L98 HydrophobicContact CD2-CD1 3.63Å; L94-L98 HydrophobicContact CD2-CG 4.39Å; L94-L98 HydrophobicContact CG-CD1 4.38Å; L94-L98 WeakPolarHBondContact O-CB 3.45Å; L94-L98 VanDerWaalsContact O-CG 3.3Å; L94-L98 WeakPolarHBondContact O-CG 3.34Å; L94-L98 PolarHBondContact O-N 2.89Å; F95-L98 PolarHBondContact O-N 3.04Å; L98-G101 PolarHBondContact O-N 2.81Å; L98-C102 WeakPolarHBondContact O-CB 3.48Å; L98-C102 PolarHBondContact O-N 2.96Å; L98-C102 PolarHBondContact O-SG 3.36Å
99	L	96.8	Very high	93.9	Very high	82 Å²	82	91.3 Å²	91.3	43%	0.429	51%	0.505	S	S	.	.	H	α-helix	trans	-61.2	-46.4	176.7	-176.3	67.1	0	0	0	111.3	F95 F96 C102 I103	F95-L99 WeakPolarHBondContact O-CB 3.24Å; F95-L99 PolarHBondContact O-N 3.21Å; F96-L99 HydrophobicContact CD1-CD2 4.32Å; F96-L99 PolarHBondContact O-N 3.15Å; L99-C102 PolarHBondContact O-N 3.05Å; L99-I103 HydrophobicContact CG-CD1 4.12Å; L99-I103 VanDerWaalsContact O-CG1 3.28Å; L99-I103 WeakPolarHBondContact O-CG1 3.39Å; L99-I103 PolarHBondContact O-N 3.35Å
100	A	96	Very high	93.1	Very high	50 Å²	50	95.8 Å²	95.8	41%	0.413	52%	0.524	S	S	.	.	H	α-helix	trans	-62.3	-43	174.9	0	0	0	0	0	111.2	F96 C102 I103 V104	F96-A100 VanDerWaalsContact O-CB 3.23Å; F96-A100 WeakPolarHBondContact O-CB 3.29Å; F96-A100 PolarHBondContact O-N 2.95Å; A100-C102 PolarHBondContact O-N 2.79Å; A100-I103 PolarHBondContact O-N 3.13Å; A100-V104 WeakPolarHBondContact O-CB 3.4Å; A100-V104 VanDerWaalsContact O-CG2 3.27Å; A100-V104 WeakPolarHBondContact O-CG2 3.27Å; A100-V104 PolarHBondContact O-N 3.36Å
101	G	95.4	Very high	92.2	Very high	40 Å²	40	103.5 Å²	103.5	41%	0.412	55%	0.547	S	S	.	.	H	α-helix	trans	-58.4	-44.3	173.6	0	0	0	0	0	112.7	G97 L98 V104 Y105	G97-G101 PolarHBondContact O-N 2.79Å; L98-G101 PolarHBondContact O-N 2.81Å; G101-V104 PolarHBondContact O-N 3.3Å; G101-Y105 WeakPolarHBondContact O-CB 3.3Å; G101-Y105 PolarHBondContact O-N 2.9Å
102	C	95.1	Very high	91.5	Very high	73 Å²	73	102.5 Å²	102.5	49%	0.493	56%	0.555	S	S	.	*	H	α-helix	trans	-62.4	-43.9	174.1	-71.7	0	0	0	0	112	L98 L99 A100 Y105 I106	L98-C102 WeakPolarHBondContact O-CB 3.48Å; L98-C102 PolarHBondContact O-N 2.96Å; L98-C102 PolarHBondContact O-SG 3.36Å; L99-C102 PolarHBondContact O-N 3.05Å; A100-C102 PolarHBondContact O-N 2.79Å; C102-Y105 PolarHBondContact O-N 3.05Å; C102-I106 VanDerWaalsContact O-CG1 3.26Å; C102-I106 WeakPolarHBondContact O-CG1 3.41Å; C102-I106 PolarHBondContact O-N 3.01Å
103	I	94.8	Very high	90.9	Very high	84 Å²	84	104.1 Å²	104.1	43%	0.431	56%	0.562	S	S	.	*	H	α-helix	trans	-62.9	-47.1	177.5	-69.1	165.4	0	0	0	110.5	L99 A100 Y105 I106 I107	L99-I103 HydrophobicContact CG-CD1 4.12Å; L99-I103 VanDerWaalsContact O-CG1 3.28Å; L99-I103 WeakPolarHBondContact O-CG1 3.39Å; L99-I103 PolarHBondContact O-N 3.35Å; A100-I103 PolarHBondContact O-N 3.13Å; I103-Y105 VanDerWaalsContact C-N 3.33Å; I103-Y105 PolarHBondContact O-N 3.1Å; I103-I106 PolarHBondContact O-N 3.23Å; I103-I107 HydrophobicContact CG2-CD1 3.62Å; I103-I107 HydrophobicContact CG2-CG1 4.39Å; I103-I107 VanDerWaalsContact O-CG1 3.31Å; I103-I107 WeakPolarHBondContact O-CG1 3.27Å; I103-I107 PolarHBondContact O-N 3.28Å
104	V	93.4	Very high	90.3	Very high	78 Å²	78	103.7 Å²	103.7	47%	0.473	57%	0.57	S	S	.	*	H	α-helix	trans	-60	-43.8	176.9	171.3	0	0	0	0	110.6	A100 G101 I106 I107 L108	A100-V104 WeakPolarHBondContact O-CB 3.4Å; A100-V104 VanDerWaalsContact O-CG2 3.27Å; A100-V104 WeakPolarHBondContact O-CG2 3.27Å; A100-V104 PolarHBondContact O-N 3.36Å; G101-V104 PolarHBondContact O-N 3.3Å; V104-I106 PolarHBondContact O-N 2.88Å; V104-I107 PolarHBondContact O-N 3.49Å; V104-L108 HydrophobicContact CG1-CD1 3.58Å; V104-L108 HydrophobicContact CG1-CG 4.15Å; V104-L108 VanDerWaalsContact O-CB 3.3Å; V104-L108 WeakPolarHBondContact O-CB 3.11Å; V104-L108 WeakPolarHBondContact O-CG 3.39Å; V104-L108 PolarHBondContact O-N 3.42Å
105	Y	91.4	Very high	90	Very high	181 Å²	181	102.6 Å²	102.6	71%	0.71	57%	0.568	S	S	*	*	H	α-helix	trans	-63	-39.1	176.2	-177.2	-94.4	0	0	0	112.7	G101 C102 I103 G109	G101-Y105 WeakPolarHBondContact O-CB 3.3Å; G101-Y105 PolarHBondContact O-N 2.9Å; C102-Y105 PolarHBondContact O-N 3.05Å; I103-Y105 VanDerWaalsContact C-N 3.33Å; I103-Y105 PolarHBondContact O-N 3.1Å; Y105-G109 WeakPolarHBondContact O-CA 3.3Å; Y105-G109 PolarHBondContact O-N 3Å
106	I	89.4	Confident	89.7	Confident	131 Å²	131	100.2 Å²	100.2	67%	0.672	56%	0.563	S	S	*	*	H	α-helix	trans	-68.9	-37.4	177.1	-69.5	165.2	0	0	0	111.5	C102 I103 V104	C102-I106 VanDerWaalsContact O-CG1 3.26Å; C102-I106 WeakPolarHBondContact O-CG1 3.41Å; C102-I106 PolarHBondContact O-N 3.01Å; I103-I106 PolarHBondContact O-N 3.23Å; V104-I106 PolarHBondContact O-N 2.88Å
107	I	88.8	Confident	89.5	Confident	126 Å²	126	103.2 Å²	103.2	65%	0.646	58%	0.576	S	S	*	*	H	α-helix	trans	-78.2	-44.7	-177.9	-66.3	171.8	0	0	0	111.7	I103 V104	I103-I107 HydrophobicContact CG2-CD1 3.62Å; I103-I107 HydrophobicContact CG2-CG1 4.39Å; I103-I107 VanDerWaalsContact O-CG1 3.31Å; I103-I107 WeakPolarHBondContact O-CG1 3.27Å; I103-I107 PolarHBondContact O-N 3.28Å; V104-I107 PolarHBondContact O-N 3.49Å
108	L	88	Confident	89.4	Confident	136 Å²	136	103.1 Å²	103.1	71%	0.712	56%	0.564	S	S	*	*	H	α-helix	trans	-91.2	-17.1	-177	-59.9	-176.3	0	0	0	113.3	V104 Q110	V104-L108 HydrophobicContact CG1-CD1 3.58Å; V104-L108 HydrophobicContact CG1-CG 4.15Å; V104-L108 VanDerWaalsContact O-CB 3.3Å; V104-L108 WeakPolarHBondContact O-CB 3.11Å; V104-L108 WeakPolarHBondContact O-CG 3.39Å; V104-L108 PolarHBondContact O-N 3.42Å; L108-Q110 PolarHBondContact O-N 3.37Å
109	G	81.2	Confident	89.4	Confident	26 Å²	26	98.9 Å²	98.9	27%	0.268	54%	0.543	S	S	.	.	S	Bend	trans	-57.8	127.1	175.1	0	0	0	0	0	109.5	Y105 K111	Y105-G109 WeakPolarHBondContact O-CA 3.3Å; Y105-G109 PolarHBondContact O-N 3Å; G109-K111 PolarHBondContact O-N 3.07Å
110	Q	77.5	Confident	89.4	Confident	190 Å²	190	96 Å²	96	89%	0.888	53%	0.527	S	S	*	.	P	Polyproline II helix	trans	-56.6	119.9	174.4	-70.1	-177.3	-5.8	0	0	108.1	L108 C112	L108-Q110 PolarHBondContact O-N 3.37Å; Q110-C112 PolarHBondContact O-N 3.35Å
111	K	77.5	Confident	89.5	Confident	197 Å²	197	94.3 Å²	94.3	86%	0.857	51%	0.51	S	S	*	.	P	Polyproline II helix	trans	-59.6	124.5	174.8	-68.5	-177.4	180	178.5	0	107.3	G109	G109-K111 PolarHBondContact O-N 3.07Å
112	C	81.1	Confident	89.5	Confident	114 Å²	114	94.6 Å²	94.6	77%	0.77	50%	0.5	S	S	*	.	P	Polyproline II helix	trans	-50.4	139.9	169.7	-62.8	0	0	0	0	108.7	Q110 S114	Q110-C112 PolarHBondContact O-N 3.35Å; C112-S114 PolarHBondContact O-N 3.01Å
113	P	83.8	Confident	89.6	Confident	54 Å²	54	92.6 Å²	92.6	35%	0.351	49%	0.487	S	S	.	.	P	Polyproline II helix	trans	-51.2	134.6	174.6	-23.4	31.6	0	0	0	110	V115 G585 F586	P113-V115 PolarHBondContact O-N 2.9Å; P113-V115 VanDerWaalsContact O-N 3.15Å; P113-G585 WeakPolarHBondContact CG-O 3.42Å; P113-F586 HydrophobicContact CB-CD2 4.44Å; P113-F586 HydrophobicContact CB-CE2 3.7Å; P113-F586 HydrophobicContact CB-CZ 3.78Å; P113-F586 HydrophobicContact CG-CE2 4.5Å; P113-F586 HydrophobicContact CG-CZ 4.38Å
114	S	84.1	Confident	89.6	Confident	112 Å²	112	90.1 Å²	90.1	78%	0.783	48%	0.476	S	S	*	.	P	Polyproline II helix	trans	-64.9	117.9	-178.1	56	0	0	0	0	110	C112	C112-S114 PolarHBondContact O-N 3.01Å
115	V	90	Very high	89.8	Confident	85 Å²	85	86.4 Å²	86.4	52%	0.515	45%	0.453	S	S	.	.	P	Polyproline II helix	trans	-85.1	119.1	172	177.5	0	0	0	0	108.5	P113 W560 F586	P113-V115 PolarHBondContact O-N 2.9Å; P113-V115 VanDerWaalsContact O-N 3.15Å; V115-W560 HydrophobicContact CG1-CH2 3.7Å; V115-W560 HydrophobicContact CG1-CZ2 4.2Å; V115-W560 HydrophobicContact CG1-CZ3 4.46Å; V115-F586 HydrophobicContact CG2-CZ 3.89Å
116	P	90.6	Very high	90.2	Very high	56 Å²	56	77.8 Å²	77.8	36%	0.364	42%	0.42	S	S	.	.	P	Polyproline II helix	trans	-66.3	139.9	176.9	28.1	-33.3	0	0	0	110.1	L118 W560	P116-L118 HydrophobicContact CB-CD2 4.28Å; P116-L118 HydrophobicContact CG-CD2 4.27Å; P116-L118 HydrophobicContact CG-CG 4.33Å; P116-L118 PolarHBondContact O-N 3.12Å; P116-W560 HydrophobicContact CG-CD2 3.95Å; P116-W560 HydrophobicContact CG-CE3 4.47Å; P116-W560 HydrophobicContact CG-CG 4.07Å; P116-W560 HydrophobicContact CG-CZ2 4.38Å
117	K	92.2	Very high	90.6	Very high	197 Å²	197	71.6 Å²	71.6	86%	0.857	39%	0.388	S	S	*	.			trans	-75.2	112.1	168.8	-173.7	-178.2	177.4	-173.2	0	108.1
118	L	94.3	Very high	91.1	Very high	42 Å²	42	65.6 Å²	65.6	22%	0.22	36%	0.357	C	S	.	.			trans	-103.2	141.3	-178.9	-63.6	177.1	0	0	0	110.4	P116 K122 K559 W560	P116-L118 HydrophobicContact CB-CD2 4.28Å; P116-L118 HydrophobicContact CG-CD2 4.27Å; P116-L118 HydrophobicContact CG-CG 4.33Å; P116-L118 PolarHBondContact O-N 3.12Å; L118-K122 HydrophobicContact CB-CB 4.03Å; L118-K122 HydrophobicContact CD2-CB 4.29Å; L118-K122 HydrophobicContact CD2-CD 4.34Å; L118-K559 HydrophobicContact CD1-CD 4.27Å; L118-K559 HydrophobicContact CD1-CG 4.16Å; L118-W560 HydrophobicContact CD1-CB 4.28Å; L118-W560 HydrophobicContact CD1-CD2 4.31Å; L118-W560 HydrophobicContact CD1-CE3 3.58Å; L118-W560 HydrophobicContact CD1-CZ3 4.23Å
119	P	96.6	Very high	91.6	Very high	23 Å²	23	59.1 Å²	59.1	15%	0.149	32%	0.323	C	S	.	.			trans	-64.6	163.7	169.6	30.1	-36.5	0	0	0	110.9	W121 K122 S123 E359	P119-W121 HydrophobicContact CB-CD2 3.81Å; P119-W121 HydrophobicContact CB-CE3 3.94Å; P119-W121 HydrophobicContact CB-CH2 3.77Å; P119-W121 HydrophobicContact CB-CZ2 3.62Å; P119-W121 HydrophobicContact CB-CZ3 3.92Å; P119-W121 HydrophobicContact CG-CD2 3.99Å; P119-W121 VanDerWaalsContact CG-CE2 3.49Å; P119-W121 HydrophobicContact CG-CG 4.44Å; P119-W121 HydrophobicContact CG-CH2 4.38Å; P119-W121 HydrophobicContact CG-CZ2 3.73Å; P119-W121 PolarHBondContact O-N 3.25Å; P119-K122 HydrophobicContact CG-CB 3.97Å; P119-K122 HydrophobicContact CG-CD 4.04Å; P119-K122 HydrophobicContact CG-CG 3.79Å; P119-K122 PolarHBondContact O-N 3.36Å; P119-S123 PolarHBondContact O-N 2.82Å; P119-S123 PolarHBondContact O-OG 3.23Å; P119-E359 VanDerWaalsContact CA-OE2 3.27Å; P119-E359 WeakPolarHBondContact CA-OE2 3.36Å
120	F	97.1	Very high	92.4	Very high	20 Å²	20	58 Å²	58	9%	0.088	31%	0.311	C	S	.	.	H	α-helix	trans	-57.8	-36	-173.7	72.9	-98.8	0	0	0	113.3	K122 S123 T124 Y163 K213 I215 D299 E359 L361	F120-K122 VanDerWaalsContact C-N 3.32Å; F120-K122 PolarHBondContact O-N 3.09Å; F120-S123 WeakPolarHBondContact CA-OG 3.36Å; F120-S123 PolarHBondContact O-N 2.85Å; F120-S123 PolarHBondContact O-OG 3.05Å; F120-T124 PolarHBondContact O-N 2.69Å; F120-T124 VanDerWaalsContact O-N 3.09Å; F120-T124 PolarHBondContact O-OG1 2.9Å; F120-Y163 AromaticContact CD2-CD1 3.97Å; F120-Y163 HydrophobicContact CD2-CD1 3.97Å; F120-Y163 HydrophobicContact CD2-CG 4.07Å; F120-Y163 HydrophobicContact CE2-CD1 4.14Å; F120-Y163 HydrophobicContact CE2-CD2 4.35Å; F120-Y163 AromaticContact CE2-CG 3.84Å; F120-Y163 HydrophobicContact CE2-CG 3.84Å; F120-K213 HydrophobicContact CB-CG 4.25Å; F120-K213 HydrophobicContact CD1-CG 3.97Å; F120-K213 HydrophobicContact CD2-CB 3.96Å; F120-K213 HydrophobicContact CD2-CG 3.69Å; F120-K213 HydrophobicContact CE1-CB 4.44Å; F120-K213 HydrophobicContact CE1-CG 4.17Å; F120-K213 HydrophobicContact CE2-CB 3.76Å; F120-K213 HydrophobicContact CE2-CG 3.97Å; F120-K213 HydrophobicContact CG-CB 4.43Å; F120-K213 HydrophobicContact CG-CG 3.71Å; F120-K213 HydrophobicContact CZ-CB 4Å; F120-K213 HydrophobicContact CZ-CG 4.18Å; F120-I215 HydrophobicContact CE2-CD1 3.92Å; F120-I215 HydrophobicContact CZ-CD1 4.03Å; F120-D299 HydrophobicContact CE1-CB 4.29Å; F120-D299 HydrophobicContact CZ-CB 4.17Å; F120-E359 PolarHBondContact N-OE2 3.16Å; F120-L361 HydrophobicContact CZ-CB 3.97Å
121	W	97.1	Very high	93.4	Very high	16 Å²	16	49 Å²	49	6%	0.061	27%	0.269	C	S	.	.	H	α-helix	trans	-73.3	-21	179.3	59	90.1	0	0	0	113.9	P119 Y163 E359 L361 D388	P119-W121 HydrophobicContact CB-CD2 3.81Å; P119-W121 HydrophobicContact CB-CE3 3.94Å; P119-W121 HydrophobicContact CB-CH2 3.77Å; P119-W121 HydrophobicContact CB-CZ2 3.62Å; P119-W121 HydrophobicContact CB-CZ3 3.92Å; P119-W121 HydrophobicContact CG-CD2 3.99Å; P119-W121 VanDerWaalsContact CG-CE2 3.49Å; P119-W121 HydrophobicContact CG-CG 4.44Å; P119-W121 HydrophobicContact CG-CH2 4.38Å; P119-W121 HydrophobicContact CG-CZ2 3.73Å; P119-W121 PolarHBondContact O-N 3.25Å; W121-Y163 HydrophobicContact CB-CE1 4.24Å; W121-E359 HydrophobicContact CH2-CB 4.18Å; W121-E359 HydrophobicContact CZ3-CB 3.96Å; W121-L361 HydrophobicContact CB-CD1 4.08Å; W121-L361 HydrophobicContact CB-CD2 4.43Å; W121-L361 HydrophobicContact CD2-CB 4.34Å; W121-L361 HydrophobicContact CD2-CD1 3.51Å; W121-L361 HydrophobicContact CD2-CG 4.44Å; W121-L361 HydrophobicContact CE3-CB 3.78Å; W121-L361 HydrophobicContact CE3-CD1 3.87Å; W121-L361 HydrophobicContact CE3-CG 4.35Å; W121-L361 HydrophobicContact CG-CD1 3.62Å; W121-L361 HydrophobicContact CZ2-CD1 4.41Å; W121-L361 HydrophobicContact CZ3-CB 3.94Å; W121-L361 HydrophobicContact CZ3-CD1 4.45Å; W121-D388 HydrophobicContact CZ2-CB 3.92Å
122	K	96.6	Very high	94.4	Very high	46 Å²	46	39.6 Å²	39.6	20%	0.2	23%	0.228	C	C	.	.	H	α-helix	trans	-89.4	-19.1	172.1	-70.1	-163.7	170.7	-162.3	0	113.1	L118 P119 F120 D425 L454	L118-K122 HydrophobicContact CB-CB 4.03Å; L118-K122 HydrophobicContact CD2-CB 4.29Å; L118-K122 HydrophobicContact CD2-CD 4.34Å; P119-K122 HydrophobicContact CG-CB 3.97Å; P119-K122 HydrophobicContact CG-CD 4.04Å; P119-K122 HydrophobicContact CG-CG 3.79Å; P119-K122 PolarHBondContact O-N 3.36Å; F120-K122 VanDerWaalsContact C-N 3.32Å; F120-K122 PolarHBondContact O-N 3.09Å; K122-D425 WeakPolarHBondContact CE-O 3.41Å; K122-D425 PolarHBondContact NZ-O 3.43Å; K122-D425 IonicContact NZ-OD2 3.72Å; K122-D425 PolarHBondContact NZ-OD2 3.18Å; K122-L454 HydrophobicContact CB-CD2 4.24Å; K122-L454 HydrophobicContact CG-CD2 3.71Å
123	S	95.3	Very high	95.1	Very high	30 Å²	30	34.1 Å²	34.1	21%	0.21	19%	0.191	C	C	.	.	H	α-helix	trans	-103.2	-10.3	-174.9	53.7	0	0	0	0	114.7	P119 F120	P119-S123 PolarHBondContact O-N 2.82Å; P119-S123 PolarHBondContact O-OG 3.23Å; F120-S123 WeakPolarHBondContact CA-OG 3.36Å; F120-S123 PolarHBondContact O-N 2.85Å; F120-S123 PolarHBondContact O-OG 3.05Å
124	T	96.4	Very high	95.8	Very high	33 Å²	33	31.6 Å²	31.6	20%	0.202	18%	0.175	C	C	.	.	S	Bend	trans	-140	169.6	-175.3	67.7	0	0	0	0	112.2	F120 G162	F120-T124 PolarHBondContact O-N 2.69Å; F120-T124 VanDerWaalsContact O-N 3.09Å; F120-T124 PolarHBondContact O-OG1 2.9Å; T124-G162 WeakPolarHBondContact OG1-CA 3.4Å
125	V	97.9	Very high	96.5	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	137.8	176.2	-179.3	0	0	0	0	109.7	A161 G162 L449 P455 I457 V550	V125-A161 CarbonylContact O-C 3.51Å; V125-A161 WeakPolarHBondContact O-CA 3.38Å; V125-G162 PolarHBondContact O-N 3.42Å; V125-L449 HydrophobicContact CG1-CD2 4.26Å; V125-L449 HydrophobicContact CG2-CD2 3.95Å; V125-P455 HydrophobicContact CB-CG 4.39Å; V125-P455 HydrophobicContact CG1-CB 4.3Å; V125-P455 HydrophobicContact CG1-CG 4.41Å; V125-P455 HydrophobicContact CG2-CB 4.45Å; V125-P455 HydrophobicContact CG2-CG 3.84Å; V125-I457 HydrophobicContact CG1-CD1 3.94Å; V125-I457 HydrophobicContact CG1-CG1 4.06Å; V125-V550 HydrophobicContact CG2-CG1 3.92Å; V125-V550 HydrophobicContact CG2-CG2 4.21Å
126	G	98.6	Very high	96.9	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	147.8	172.5	0	0	0	0	0	112.2	Y163 P455 I456 I457	G126-Y163 VanDerWaalsContact CA-CE2 3.44Å; G126-Y163 WeakPolarHBondContact CA-O 3.48Å; G126-Y163 VanDerWaalsContact N-CE1 3.26Å; G126-P455 PolarHBondContact N-O 3.17Å; G126-I456 WeakPolarHBondContact O-CA 3.47Å; G126-I457 PolarHBondContact O-N 3.48Å
127	Y	98.7	Very high	97.3	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	109.6	171.5	-168.9	-118.7	0	0	0	110.4	L129 F134 I155 V159 Y163 V164 I165 I457 Y459 E462	Y127-L129 HydrophobicContact CD1-CD2 3.71Å; Y127-L129 HydrophobicContact CE1-CB 4.36Å; Y127-L129 HydrophobicContact CE1-CD2 3.85Å; Y127-F134 AromaticContact CE1-CE2 3.9Å; Y127-F134 HydrophobicContact CE1-CE2 3.9Å; Y127-F134 AromaticContact CE1-CZ 3.97Å; Y127-F134 HydrophobicContact CE1-CZ 3.97Å; Y127-I155 HydrophobicContact CD1-CD1 4.38Å; Y127-I155 HydrophobicContact CD1-CG1 3.98Å; Y127-I155 HydrophobicContact CD1-CG2 4.15Å; Y127-I155 HydrophobicContact CE1-CG1 4.02Å; Y127-V159 HydrophobicContact CD2-CG1 3.69Å; Y127-V159 HydrophobicContact CD2-CG2 4.48Å; Y127-V159 HydrophobicContact CE2-CG1 3.99Å; Y127-V159 HydrophobicContact CE2-CG2 4.07Å; Y127-V159 HydrophobicContact CG-CG1 4.3Å; Y127-Y163 PolarHBondContact N-O 3.28Å; Y127-V164 CarbonylContact O-C 3.44Å; Y127-V164 WeakPolarHBondContact O-CA 3.29Å; Y127-I165 PolarHBondContact O-N 2.79Å; Y127-I457 CarbonylContact C-O 3.44Å; Y127-I457 VanDerWaalsContact CA-O 3.29Å; Y127-I457 WeakPolarHBondContact CA-O 3.34Å; Y127-I457 HydrophobicContact CD2-CB 4.01Å; Y127-I457 HydrophobicContact CD2-CG2 3.98Å; Y127-I457 VanDerWaalsContact CD2-O 3.3Å; Y127-I457 WeakPolarHBondContact CD2-O 3.47Å; Y127-I457 HydrophobicContact CE2-CB 4.49Å; Y127-I457 HydrophobicContact CE2-CG2 3.95Å; Y127-Y459 WeakPolarHBondContact OH-CA 3.41Å; Y127-Y459 WeakPolarHBondContact OH-CB 3.46Å; Y127-E462 PolarHBondContact OH-OE1 2.99Å
128	W	98.3	Very high	97.5	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	125	-179.3	-171.8	-1.7	0	0	0	109.6	I165 L302 N365 V391 T433 S434 I456 I457 Y458 Y459	W128-I165 VanDerWaalsContact CA-O 3.32Å; W128-I165 WeakPolarHBondContact CA-O 3.25Å; W128-I165 HydrophobicContact CB-CB 4.06Å; W128-I165 HydrophobicContact CD2-CG2 4.26Å; W128-I165 HydrophobicContact CG-CB 3.94Å; W128-I165 HydrophobicContact CG-CG2 4.03Å; W128-L302 HydrophobicContact CH2-CD1 4.22Å; W128-L302 HydrophobicContact CZ2-CD1 4.42Å; W128-L302 HydrophobicContact CZ2-CD2 4.41Å; W128-L302 HydrophobicContact CZ3-CD1 4.41Å; W128-N365 HydrophobicContact CH2-CB 4.2Å; W128-V391 HydrophobicContact CZ3-CG1 4.26Å; W128-V391 HydrophobicContact CZ3-CG2 4.22Å; W128-T433 HydrophobicContact CE3-CG2 4.43Å; W128-T433 HydrophobicContact CH2-CG2 4.27Å; W128-T433 HydrophobicContact CZ3-CG2 3.69Å; W128-S434 VanDerWaalsContact CZ2-OG 3.25Å; W128-S434 WeakPolarHBondContact CZ2-OG 3.33Å; W128-I456 HydrophobicContact CB-CG2 3.79Å; W128-I456 HydrophobicContact CE3-CG2 4.47Å; W128-I457 PolarHBondContact N-O 3.29Å; W128-Y458 HydrophobicContact CB-CD2 3.87Å; W128-Y458 AromaticContact CD2-CD2 3.99Å; W128-Y458 HydrophobicContact CD2-CD2 3.99Å; W128-Y458 HydrophobicContact CD2-CE2 4.22Å; W128-Y458 HydrophobicContact CE3-CD2 4.39Å; W128-Y458 AromaticContact CG-CD2 3.75Å; W128-Y458 HydrophobicContact CG-CD2 3.75Å; W128-Y458 HydrophobicContact CG-CE2 4.03Å; W128-Y458 CarbonylContact O-C 2.91Å; W128-Y458 VanDerWaalsContact O-CA 3.29Å; W128-Y458 WeakPolarHBondContact O-CA 3.21Å; W128-Y458 WeakPolarHBondContact O-CD2 3.38Å; W128-Y459 PolarHBondContact O-N 3.49Å
129	L	98.3	Very high	97.6	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	152.7	-177.5	65.2	92.3	0	0	0	112.9	Y127 V131 F134 L148 I155 V164 I165 L166 G167 Y459	Y127-L129 HydrophobicContact CD1-CD2 3.71Å; Y127-L129 HydrophobicContact CE1-CB 4.36Å; Y127-L129 HydrophobicContact CE1-CD2 3.85Å; L129-V131 HydrophobicContact CD1-CG2 3.95Å; L129-F134 HydrophobicContact CB-CD2 4.48Å; L129-F134 HydrophobicContact CD1-CB 4.45Å; L129-L148 HydrophobicContact CD1-CD1 3.91Å; L129-L148 HydrophobicContact CD1-CD2 4.07Å; L129-L148 HydrophobicContact CD2-CD1 3.71Å; L129-I155 HydrophobicContact CD2-CD1 4.15Å; L129-V164 HydrophobicContact CD2-CG1 4.36Å; L129-I165 PolarHBondContact N-O 3.45Å; L129-L166 HydrophobicContact CD1-CD2 3.86Å; L129-L166 HydrophobicContact CG-CD2 4.15Å; L129-G167 PolarHBondContact O-N 3.1Å; L129-Y459 HydrophobicContact CB-CD1 4.22Å; L129-Y459 HydrophobicContact CB-CG 4.24Å
130	D	97.9	Very high	97.6	Very high	2 Å²	2	20.3 Å²	20.3	1%	0.011	12%	0.123	C	C	.	.			trans	-89.6	119.3	162.8	-180	-4.3	0	0	0	109.3	F132 A133 F134 Y459 Y478 H496	D130-F132 VanDerWaalsContact C-N 3.27Å; D130-F132 PolarHBondContact O-N 3.11Å; D130-F132 WeakPolarHBondContact OD1-CB 3.41Å; D130-F132 VanDerWaalsContact OD1-CD2 3.22Å; D130-F132 WeakPolarHBondContact OD1-CD2 3.49Å; D130-F132 PolarHBondContact OD1-N 3.14Å; D130-A133 HydrophobicContact CB-CB 4.06Å; D130-A133 PolarHBondContact O-N 3.31Å; D130-F134 WeakPolarHBondContact O-CB 3.49Å; D130-F134 PolarHBondContact O-N 3.19Å; D130-Y459 HydrophobicContact CB-CE1 3.93Å; D130-Y478 WeakPolarHBondContact OD2-CE1 3.33Å; D130-Y478 PolarHBondContact OD2-OH 3.41Å; D130-H496 IonicContact OD2-CE1 2.99Å; D130-H496 IonicContact OD2-CG 3.96Å; D130-H496 IonicContact OD2-ND1 3.39Å; D130-H496 PolarHBondContact OD2-ND1 3.33Å
131	V	98.5	Very high	97.6	Very high	1 Å²	1	21 Å²	21	1%	0.006	13%	0.127	C	C	.	.	H	α-helix	trans	-60.8	-40	-178.8	-176.4	0	0	0	0	111	L129 A133 F134 G143 L145 L148 L166 I169 V194	L129-V131 HydrophobicContact CD1-CG2 3.95Å; V131-A133 PolarHBondContact O-N 3.22Å; V131-F134 PolarHBondContact O-N 3.2Å; V131-G143 CarbonylContact O-C 3.58Å; V131-G143 VanDerWaalsContact O-CA 3.3Å; V131-G143 WeakPolarHBondContact O-CA 3.45Å; V131-L145 HydrophobicContact CG1-CD2 4.45Å; V131-L148 HydrophobicContact CG1-CB 4.47Å; V131-L148 HydrophobicContact CG1-CD2 4.37Å; V131-L148 HydrophobicContact CG2-CD2 4.03Å; V131-L166 HydrophobicContact CG2-CB 4.34Å; V131-L166 HydrophobicContact CG2-CD1 4.23Å; V131-L166 HydrophobicContact CG2-CD2 4.18Å; V131-L166 HydrophobicContact CG2-CG 4.49Å; V131-I169 HydrophobicContact CB-CG2 4.33Å; V131-I169 HydrophobicContact CG2-CG2 3.66Å; V131-V194 HydrophobicContact CB-CG2 4.06Å; V131-V194 HydrophobicContact CG1-CG2 3.63Å
132	F	98.1	Very high	97.6	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-71.1	-20.1	-176.3	-53.8	-75.9	0	0	0	113.4	D130 I142 G143 P168 F173 D191 A193 V194 Y478	D130-F132 VanDerWaalsContact C-N 3.27Å; D130-F132 PolarHBondContact O-N 3.11Å; D130-F132 WeakPolarHBondContact OD1-CB 3.41Å; D130-F132 VanDerWaalsContact OD1-CD2 3.22Å; D130-F132 WeakPolarHBondContact OD1-CD2 3.49Å; D130-F132 PolarHBondContact OD1-N 3.14Å; F132-I142 HydrophobicContact CB-CG2 4.06Å; F132-I142 HydrophobicContact CD1-CG2 3.79Å; F132-I142 HydrophobicContact CG-CG2 4.4Å; F132-G143 WeakPolarHBondContact CA-O 3.12Å; F132-G143 WeakPolarHBondContact O-CA 3.47Å; F132-G143 PolarHBondContact O-N 3.25Å; F132-P168 WeakPolarHBondContact CE2-O 3.34Å; F132-F173 AromaticContact CD2-CD1 3.83Å; F132-F173 HydrophobicContact CD2-CD1 3.83Å; F132-F173 AromaticContact CD2-CE1 3.95Å; F132-F173 HydrophobicContact CD2-CE1 3.95Å; F132-F173 AromaticContact CE2-CD1 3.35Å; F132-F173 HydrophobicContact CE2-CD1 3.35Å; F132-F173 AromaticContact CE2-CE1 3.91Å; F132-F173 HydrophobicContact CE2-CE1 3.91Å; F132-F173 HydrophobicContact CE2-CG 4.31Å; F132-F173 HydrophobicContact CZ-CD1 4.2Å; F132-D191 HydrophobicContact CE1-CB 4.27Å; F132-D191 HydrophobicContact CZ-CB 3.88Å; F132-A193 HydrophobicContact CD1-CB 4.35Å; F132-A193 HydrophobicContact CE1-CB 4.07Å; F132-V194 HydrophobicContact CE1-CB 3.77Å; F132-V194 HydrophobicContact CE1-CG2 3.94Å; F132-V194 HydrophobicContact CZ-CB 4.04Å; F132-V194 HydrophobicContact CZ-CG2 4.06Å; F132-Y478 HydrophobicContact CB-CD1 4.41Å; F132-Y478 HydrophobicContact CB-CD2 3.8Å; F132-Y478 HydrophobicContact CB-CE1 3.9Å; F132-Y478 HydrophobicContact CB-CE2 3.23Å; F132-Y478 HydrophobicContact CB-CG 4.38Å; F132-Y478 HydrophobicContact CG-CE2 4.03Å
133	A	97.3	Very high	97.7	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-101.1	-5.6	176.9	0	0	0	0	0	113.1	D130 V131 Y459 Y478 P498 M499 F508	D130-A133 HydrophobicContact CB-CB 4.06Å; D130-A133 PolarHBondContact O-N 3.31Å; V131-A133 PolarHBondContact O-N 3.22Å; A133-Y459 HydrophobicContact CB-CE2 3.99Å; A133-Y459 WeakPolarHBondContact CB-OH 3.46Å; A133-Y478 HydrophobicContact CB-CD1 3.73Å; A133-Y478 HydrophobicContact CB-CE1 3.82Å; A133-P498 WeakPolarHBondContact O-CA 3.44Å; A133-M499 PolarHBondContact O-N 3.45Å; A133-F508 WeakPolarHBondContact O-CE2 3.38Å
134	F	98.2	Very high	97.9	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-84.9	-66	-169.5	-159.6	-118.4	0	0	0	112.7	Y127 L129 D130 V131 L148 E151 Y154 I155 Y459 M499 W501	Y127-F134 AromaticContact CE1-CE2 3.9Å; Y127-F134 HydrophobicContact CE1-CE2 3.9Å; Y127-F134 AromaticContact CE1-CZ 3.97Å; Y127-F134 HydrophobicContact CE1-CZ 3.97Å; L129-F134 HydrophobicContact CB-CD2 4.48Å; L129-F134 HydrophobicContact CD1-CB 4.45Å; D130-F134 WeakPolarHBondContact O-CB 3.49Å; D130-F134 PolarHBondContact O-N 3.19Å; V131-F134 PolarHBondContact O-N 3.2Å; F134-L148 HydrophobicContact CD1-CB 4.47Å; F134-L148 HydrophobicContact CD1-CD1 3.5Å; F134-L148 VanDerWaalsContact CD1-CD1 3.5Å; F134-L148 HydrophobicContact CE1-CD1 3.68Å; F134-L148 HydrophobicContact CG-CD1 4.39Å; F134-E151 HydrophobicContact CD1-CB 4.48Å; F134-E151 HydrophobicContact CE1-CB 3.67Å; F134-E151 HydrophobicContact CE1-CG 4.24Å; F134-E151 HydrophobicContact CZ-CB 4.42Å; F134-Y154 HydrophobicContact CZ-CD1 4.26Å; F134-Y154 HydrophobicContact CZ-CE1 4.4Å; F134-I155 HydrophobicContact CE1-CD1 4Å; F134-I155 HydrophobicContact CE1-CG1 4.4Å; F134-I155 HydrophobicContact CZ-CD1 4.17Å; F134-I155 HydrophobicContact CZ-CG1 4.15Å; F134-Y459 HydrophobicContact CD2-CD2 4.24Å; F134-M499 HydrophobicContact CD2-CB 4.21Å; F134-M499 HydrophobicContact CD2-CG 4.16Å; F134-M499 HydrophobicContact CE2-CG 4.14Å; F134-M499 HydrophobicContact CE2-SD 4.43Å; F134-W501 HydrophobicContact CD1-CZ2 4.06Å; F134-W501 HydrophobicContact CD2-CZ2 4.02Å; F134-W501 AromaticContact CE1-CH2 3.94Å; F134-W501 HydrophobicContact CE1-CH2 3.94Å; F134-W501 AromaticContact CE1-CZ2 3.7Å; F134-W501 HydrophobicContact CE1-CZ2 3.7Å; F134-W501 AromaticContact CE2-CH2 3.84Å; F134-W501 HydrophobicContact CE2-CH2 3.84Å; F134-W501 AromaticContact CE2-CZ2 3.61Å; F134-W501 HydrophobicContact CE2-CZ2 3.61Å; F134-W501 HydrophobicContact CG-CZ2 4.23Å; F134-W501 AromaticContact CZ-CH2 3.43Å; F134-W501 HydrophobicContact CZ-CH2 3.43Å; F134-W501 VanDerWaalsContact CZ-CH2 3.43Å; F134-W501 AromaticContact CZ-CZ2 3.46Å; F134-W501 HydrophobicContact CZ-CZ2 3.46Å; F134-W501 VanDerWaalsContact CZ-CZ2 3.46Å; F134-W501 PolarHBondContact O-NE1 3.31Å
135	K	98.4	Very high	98	Very high	41 Å²	41	15.9 Å²	15.9	18%	0.178	10%	0.1	C	C	.	.			trans	-155.9	127.2	179.1	-175.9	170	-178.6	-173	0	111.4	G143 D144 G147 S150 E151 R507	K135-G143 VanDerWaalsContact C-CA 3.5Å; K135-G143 WeakPolarHBondContact O-CA 3.3Å; K135-D144 PolarHBondContact O-N 2.98Å; K135-D144 VanDerWaalsContact O-N 3.1Å; K135-G147 WeakPolarHBondContact O-CA 3.44Å; K135-S150 WeakPolarHBondContact CD-OG 3.47Å; K135-S150 PolarHBondContact NZ-OG 3.47Å; K135-E151 HydrophobicContact CB-CG 4.48Å; K135-E151 HydrophobicContact CD-CG 3.48Å; K135-E151 VanDerWaalsContact CD-CG 3.48Å; K135-E151 WeakPolarHBondContact CD-OE1 3.5Å; K135-E151 WeakPolarHBondContact CE-OE1 3.33Å; K135-E151 IonicContact NZ-OE1 3.68Å; K135-E151 PolarHBondContact NZ-OE1 3.18Å; K135-R507 VanDerWaalsContact CE-O 3.31Å; K135-R507 WeakPolarHBondContact CE-O 3.44Å
136	D	98.4	Very high	98	Very high	6 Å²	6	18.7 Å²	18.7	3%	0.032	12%	0.115	C	C	.	.	B	Isolated β-bridge	trans	-88.5	123.5	176.8	169.7	21.4	0	0	0	110	S138 G139 D140 L141 I142 F508 S509	D136-S138 WeakPolarHBondContact OD1-CA 3.4Å; D136-S138 PolarHBondContact OD1-N 3.45Å; D136-S138 PolarHBondContact OD1-OG 3.45Å; D136-S138 VanDerWaalsContact OD1-OG 3.09Å; D136-G139 PolarHBondContact OD1-N 3.31Å; D136-G139 WeakPolarHBondContact OD2-CA 3.48Å; D136-G139 PolarHBondContact OD2-N 2.94Å; D136-D140 PolarHBondContact OD2-N 2.96Å; D136-D140 VanDerWaalsContact OD2-N 3.15Å; D136-L141 WeakPolarHBondContact OD2-CA 3.5Å; D136-L141 PolarHBondContact OD2-N 2.99Å; D136-I142 WeakPolarHBondContact CA-O 3.36Å; D136-I142 VanDerWaalsContact CB-O 3.28Å; D136-I142 WeakPolarHBondContact CB-O 3.45Å; D136-F508 WeakPolarHBondContact CB-O 3.2Å; D136-F508 PolarHBondContact N-O 3.2Å; D136-S509 VanDerWaalsContact OD2-CB 3.22Å; D136-S509 WeakPolarHBondContact OD2-CB 3.46Å; D136-S509 PolarHBondContact OD2-OG 3.2Å
137	S	98.2	Very high	98	Very high	69 Å²	69	18.7 Å²	18.7	48%	0.483	12%	0.115	S	C	.	.	S	Bend	trans	-105.7	-14	173.6	80.7	0	0	0	0	113.4	D144 N146	S137-D144 WeakPolarHBondContact CA-OD2 3.44Å; S137-D144 WeakPolarHBondContact CB-OD2 3.41Å; S137-D144 PolarHBondContact N-OD2 3.39Å; S137-D144 PolarHBondContact OG-OD1 3.32Å; S137-D144 PolarHBondContact OG-OD2 3.32Å; S137-N146 VanDerWaalsContact OG-CB 3.31Å; S137-N146 WeakPolarHBondContact OG-CB 3.5Å
138	S	97	Very high	98	Very high	78 Å²	78	18.7 Å²	18.7	55%	0.545	12%	0.115	S	C	.	.	S	Bend	trans	-90.1	-20.9	-176	80.4	0	0	0	0	113.2	D136 D140 D144	D136-S138 WeakPolarHBondContact OD1-CA 3.4Å; D136-S138 PolarHBondContact OD1-N 3.45Å; D136-S138 PolarHBondContact OD1-OG 3.45Å; D136-S138 VanDerWaalsContact OD1-OG 3.09Å; S138-D140 PolarHBondContact OG-N 3.45Å; S138-D140 PolarHBondContact OG-OD1 3.35Å; S138-D144 PolarHBondContact N-OD2 2.82Å
139	G	96.8	Very high	98	Very high	24 Å²	24	18.8 Å²	18.8	25%	0.247	12%	0.116	C	C	.	.	S	Bend	trans	87.1	8.4	-179.3	0	0	0	0	0	114.5	D136 L141 T511	D136-G139 PolarHBondContact OD1-N 3.31Å; D136-G139 WeakPolarHBondContact OD2-CA 3.48Å; D136-G139 PolarHBondContact OD2-N 2.94Å; G139-L141 VanDerWaalsContact C-N 3.34Å; G139-T511 VanDerWaalsContact CA-CG2 3.43Å; G139-T511 WeakPolarHBondContact O-CG2 3.46Å; G139-T511 PolarHBondContact O-OG1 3.35Å
140	D	96.5	Very high	98	Very high	61 Å²	61	21.6 Å²	21.6	33%	0.326	14%	0.135	S	C	.	.	S	Bend	trans	-89.4	4.8	-179.7	77	-9.2	0	0	0	113.7	D136 S138 I142 K480	D136-D140 PolarHBondContact OD2-N 2.96Å; D136-D140 VanDerWaalsContact OD2-N 3.15Å; S138-D140 PolarHBondContact OG-N 3.45Å; S138-D140 PolarHBondContact OG-OD1 3.35Å; D140-I142 VanDerWaalsContact C-N 3.28Å; D140-I142 WeakPolarHBondContact OD1-CA 3.34Å; D140-I142 WeakPolarHBondContact OD1-CB 3.48Å; D140-I142 PolarHBondContact OD1-N 3.25Å; D140-K480 VanDerWaalsContact O-CE 3.27Å; D140-K480 WeakPolarHBondContact O-CE 3.3Å; D140-K480 PolarHBondContact O-NZ 2.81Å
141	L	97.1	Very high	98.1	Very high	33 Å²	33	22.1 Å²	22.1	17%	0.173	14%	0.137	C	C	.	.	S	Bend	trans	68.4	20	-176.7	-47.9	177.1	0	0	0	114.5	D136 G139 L477 L512	D136-L141 WeakPolarHBondContact OD2-CA 3.5Å; D136-L141 PolarHBondContact OD2-N 2.99Å; G139-L141 VanDerWaalsContact C-N 3.34Å; L141-L477 HydrophobicContact CD1-CD2 4.38Å; L141-L512 HydrophobicContact CD1-CD2 4.42Å; L141-L512 HydrophobicContact CD2-CD1 4.15Å; L141-L512 HydrophobicContact CD2-CD2 3.69Å; L141-L512 HydrophobicContact CD2-CG 3.61Å
142	I	97.6	Very high	98	Very high	8 Å²	8	22.5 Å²	22.5	4%	0.041	14%	0.14	C	C	.	.	S	Bend	trans	-122.9	129	174.8	-56.6	156.5	0	0	0	108	F132 D136 D140 Y174 A193 Y478	F132-I142 HydrophobicContact CB-CG2 4.06Å; F132-I142 HydrophobicContact CD1-CG2 3.79Å; F132-I142 HydrophobicContact CG-CG2 4.4Å; D136-I142 WeakPolarHBondContact CA-O 3.36Å; D136-I142 VanDerWaalsContact CB-O 3.28Å; D136-I142 WeakPolarHBondContact CB-O 3.45Å; D140-I142 VanDerWaalsContact C-N 3.28Å; D140-I142 WeakPolarHBondContact OD1-CA 3.34Å; D140-I142 WeakPolarHBondContact OD1-CB 3.48Å; D140-I142 PolarHBondContact OD1-N 3.25Å; I142-Y174 HydrophobicContact CD1-CD1 4.34Å; I142-Y174 HydrophobicContact CD1-CE1 3.38Å; I142-Y174 WeakPolarHBondContact CD1-OH 3.09Å; I142-Y174 HydrophobicContact CG1-CE1 4.2Å; I142-A193 HydrophobicContact CG2-CB 4.13Å; I142-Y478 HydrophobicContact CG1-CD2 4.43Å; I142-Y478 HydrophobicContact CG2-CD2 4.08Å
143	G	98.4	Very high	98	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	16%	0.159	C	C	.	.			trans	-66.8	147.2	178.7	0	0	0	0	0	113	V131 F132 K135	V131-G143 CarbonylContact O-C 3.58Å; V131-G143 VanDerWaalsContact O-CA 3.3Å; V131-G143 WeakPolarHBondContact O-CA 3.45Å; F132-G143 WeakPolarHBondContact CA-O 3.12Å; F132-G143 WeakPolarHBondContact O-CA 3.47Å; F132-G143 PolarHBondContact O-N 3.25Å; K135-G143 VanDerWaalsContact C-CA 3.5Å; K135-G143 WeakPolarHBondContact O-CA 3.3Å
144	D	98.8	Very high	98.1	Very high	11 Å²	11	26.4 Å²	26.4	6%	0.059	16%	0.16	C	C	.	.			trans	-138.5	171.6	-175	65.7	47.8	0	0	0	111.6	K135 S137 S138 N146 G147 L148	K135-D144 PolarHBondContact O-N 2.98Å; K135-D144 VanDerWaalsContact O-N 3.1Å; S137-D144 WeakPolarHBondContact CA-OD2 3.44Å; S137-D144 WeakPolarHBondContact CB-OD2 3.41Å; S137-D144 PolarHBondContact N-OD2 3.39Å; S137-D144 PolarHBondContact OG-OD1 3.32Å; S137-D144 PolarHBondContact OG-OD2 3.32Å; S138-D144 PolarHBondContact N-OD2 2.82Å; D144-N146 VanDerWaalsContact C-N 3.26Å; D144-N146 PolarHBondContact O-N 3.14Å; D144-N146 WeakPolarHBondContact OD1-CA 3.42Å; D144-N146 WeakPolarHBondContact OD1-CB 3.3Å; D144-N146 PolarHBondContact OD1-N 2.86Å; D144-G147 PolarHBondContact O-N 3.43Å; D144-G147 PolarHBondContact OD1-N 3.28Å; D144-L148 PolarHBondContact O-N 2.91Å
145	L	98.8	Very high	98.1	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-62.5	-30.8	-179.2	-73.3	169.4	0	0	0	113	V131 T149 L190 V194 D199 F200 F203	V131-L145 HydrophobicContact CG1-CD2 4.45Å; L145-T149 WeakPolarHBondContact O-CB 3.24Å; L145-T149 PolarHBondContact O-N 3.37Å; L145-T149 PolarHBondContact O-OG1 2.96Å; L145-L190 HydrophobicContact CD1-CD1 4.19Å; L145-V194 WeakPolarHBondContact CB-O 3.49Å; L145-V194 HydrophobicContact CD1-CG1 4.19Å; L145-V194 HydrophobicContact CG-CG1 4.48Å; L145-V194 HydrophobicContact CG-CG2 4.13Å; L145-V194 WeakPolarHBondContact CG-O 3.32Å; L145-V194 PolarHBondContact N-O 2.82Å; L145-D199 HydrophobicContact CB-CB 4.29Å; L145-D199 HydrophobicContact CD1-CB 4.42Å; L145-F200 HydrophobicContact CD1-CB 3.85Å; L145-F200 HydrophobicContact CD1-CD2 4.11Å; L145-F200 HydrophobicContact CD2-CD2 4.46Å; L145-F203 HydrophobicContact CD2-CB 4.49Å; L145-F203 HydrophobicContact CD2-CD1 4.1Å; L145-F203 HydrophobicContact CD2-CG 4.13Å
146	N	98.6	Very high	98.1	Very high	59 Å²	59	27.9 Å²	27.9	32%	0.316	17%	0.167	S	C	.	.	H	α-helix	trans	-73.8	-40.8	-179.9	-79.2	-42.4	0	0	0	111.3	S137 D144 T149 S150 D199	S137-N146 VanDerWaalsContact OG-CB 3.31Å; S137-N146 WeakPolarHBondContact OG-CB 3.5Å; D144-N146 VanDerWaalsContact C-N 3.26Å; D144-N146 PolarHBondContact O-N 3.14Å; D144-N146 WeakPolarHBondContact OD1-CA 3.42Å; D144-N146 WeakPolarHBondContact OD1-CB 3.3Å; D144-N146 PolarHBondContact OD1-N 2.86Å; N146-T149 WeakPolarHBondContact O-CB 3.38Å; N146-T149 PolarHBondContact O-N 3.15Å; N146-S150 PolarHBondContact O-N 2.93Å; N146-D199 PolarHBondContact ND2-OD1 2.87Å; N146-D199 PolarHBondContact OD1-OD1 3.17Å
147	G	98.7	Very high	98	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-60.3	-51	171	0	0	0	0	0	111.3	K135 D144 T149 S150	K135-G147 WeakPolarHBondContact O-CA 3.44Å; D144-G147 PolarHBondContact O-N 3.43Å; D144-G147 PolarHBondContact OD1-N 3.28Å; G147-T149 VanDerWaalsContact C-N 3.29Å; G147-T149 PolarHBondContact O-N 3.16Å; G147-S150 WeakPolarHBondContact O-CB 3.49Å; G147-S150 PolarHBondContact O-N 3.48Å; G147-S150 VanDerWaalsContact O-N 3.08Å; G147-S150 PolarHBondContact O-OG 2.97Å
148	L	98.7	Very high	97.9	Very high	0 Å²	0	30 Å²	30	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-56.3	-44.3	173.2	174.4	61	0	0	0	112	L129 V131 F134 D144 S150 E151 I155 L166 F203 F207	L129-L148 HydrophobicContact CD1-CD1 3.91Å; L129-L148 HydrophobicContact CD1-CD2 4.07Å; L129-L148 HydrophobicContact CD2-CD1 3.71Å; V131-L148 HydrophobicContact CG1-CB 4.47Å; V131-L148 HydrophobicContact CG1-CD2 4.37Å; V131-L148 HydrophobicContact CG2-CD2 4.03Å; F134-L148 HydrophobicContact CD1-CB 4.47Å; F134-L148 HydrophobicContact CD1-CD1 3.5Å; F134-L148 VanDerWaalsContact CD1-CD1 3.5Å; F134-L148 HydrophobicContact CE1-CD1 3.68Å; F134-L148 HydrophobicContact CG-CD1 4.39Å; D144-L148 PolarHBondContact O-N 2.91Å; L148-S150 PolarHBondContact O-N 3.45Å; L148-E151 PolarHBondContact O-N 2.84Å; L148-E151 VanDerWaalsContact O-N 3.07Å; L148-I155 HydrophobicContact CD1-CD1 3.81Å; L148-L166 HydrophobicContact CD2-CD2 3.79Å; L148-F203 HydrophobicContact CD2-CD2 4.09Å; L148-F203 HydrophobicContact CD2-CE2 3.47Å; L148-F203 VanDerWaalsContact CD2-CE2 3.47Å; L148-F203 HydrophobicContact CD2-CZ 4Å; L148-F203 HydrophobicContact CG-CD2 4.3Å; L148-F203 HydrophobicContact CG-CE2 3.89Å; L148-F207 HydrophobicContact CD1-CZ 4.12Å; L148-F207 HydrophobicContact CG-CZ 4.08Å
149	T	98.7	Very high	97.9	Very high	2 Å²	2	26.3 Å²	26.3	1%	0.012	15%	0.151	C	C	.	.	H	α-helix	trans	-59.4	-33.8	178.4	-66.3	0	0	0	0	112.6	L145 N146 G147 E151 F203 R206	L145-T149 WeakPolarHBondContact O-CB 3.24Å; L145-T149 PolarHBondContact O-N 3.37Å; L145-T149 PolarHBondContact O-OG1 2.96Å; N146-T149 WeakPolarHBondContact O-CB 3.38Å; N146-T149 PolarHBondContact O-N 3.15Å; G147-T149 VanDerWaalsContact C-N 3.29Å; G147-T149 PolarHBondContact O-N 3.16Å; T149-E151 VanDerWaalsContact C-N 3.27Å; T149-E151 PolarHBondContact O-N 3.13Å; T149-F203 WeakPolarHBondContact OG1-CA 3.33Å; T149-F203 VanDerWaalsContact OG1-CB 3.31Å; T149-F203 WeakPolarHBondContact OG1-CB 3.39Å; T149-R206 HydrophobicContact CG2-CB 4.09Å; T149-R206 VanDerWaalsContact CG2-CD 3.43Å; T149-R206 HydrophobicContact CG2-CG 4.07Å
150	S	98.3	Very high	97.9	Very high	59 Å²	59	26.2 Å²	26.2	41%	0.413	15%	0.15	S	C	.	.	H	α-helix	trans	-70.6	-20.6	178.2	80.3	0	0	0	0	113.7	K135 N146 G147 L148	K135-S150 WeakPolarHBondContact CD-OG 3.47Å; K135-S150 PolarHBondContact NZ-OG 3.47Å; N146-S150 PolarHBondContact O-N 2.93Å; G147-S150 WeakPolarHBondContact O-CB 3.49Å; G147-S150 PolarHBondContact O-N 3.48Å; G147-S150 VanDerWaalsContact O-N 3.08Å; G147-S150 PolarHBondContact O-OG 2.97Å; L148-S150 PolarHBondContact O-N 3.45Å
151	E	98.1	Very high	98	Very high	12 Å²	12	23.3 Å²	23.3	6%	0.056	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.2	12.5	-175.6	-66.5	-64.1	157.8	0	0	113.2	F134 K135 L148 T149 D153 Y154 I155 W501 R507	F134-E151 HydrophobicContact CD1-CB 4.48Å; F134-E151 HydrophobicContact CE1-CB 3.67Å; F134-E151 HydrophobicContact CE1-CG 4.24Å; F134-E151 HydrophobicContact CZ-CB 4.42Å; K135-E151 HydrophobicContact CB-CG 4.48Å; K135-E151 HydrophobicContact CD-CG 3.48Å; K135-E151 VanDerWaalsContact CD-CG 3.48Å; K135-E151 WeakPolarHBondContact CD-OE1 3.5Å; K135-E151 WeakPolarHBondContact CE-OE1 3.33Å; K135-E151 IonicContact NZ-OE1 3.68Å; K135-E151 PolarHBondContact NZ-OE1 3.18Å; L148-E151 PolarHBondContact O-N 2.84Å; L148-E151 VanDerWaalsContact O-N 3.07Å; T149-E151 VanDerWaalsContact C-N 3.27Å; T149-E151 PolarHBondContact O-N 3.13Å; E151-D153 PolarHBondContact O-N 3.45Å; E151-D153 VanDerWaalsContact O-N 3.17Å; E151-Y154 WeakPolarHBondContact O-CB 3.3Å; E151-Y154 PolarHBondContact O-N 3.05Å; E151-I155 PolarHBondContact O-N 3.47Å; E151-W501 HydrophobicContact CB-CH2 4.27Å; E151-W501 HydrophobicContact CG-CH2 4Å; E151-W501 HydrophobicContact CG-CZ2 3.96Å; E151-R507 IonicContact OE1-CZ 3.37Å; E151-R507 IonicContact OE1-NE 3.65Å; E151-R507 PolarHBondContact OE1-NE 3.46Å; E151-R507 IonicContact OE1-NH2 2.8Å; E151-R507 IonicContact OE2-CZ 3.93Å; E151-R507 IonicContact OE2-NE 3.89Å; E151-R507 IonicContact OE2-NH2 3.65Å; E151-R507 PolarHBondContact OE2-NH2 2.85Å
152	V	98.3	Very high	98	Very high	9 Å²	9	21.9 Å²	21.9	6%	0.055	13%	0.128	C	C	.	.	H	α-helix	trans	-56.8	-32.7	177.4	68.4	0	0	0	0	112.6	I155 K156 F207 K210 V212	V152-I155 PolarHBondContact O-N 3Å; V152-K156 VanDerWaalsContact O-CB 3.3Å; V152-K156 WeakPolarHBondContact O-CB 3.39Å; V152-K156 PolarHBondContact O-N 2.81Å; V152-F207 HydrophobicContact CB-CD2 4.12Å; V152-F207 HydrophobicContact CB-CE2 3.66Å; V152-F207 HydrophobicContact CB-CZ 4.09Å; V152-F207 HydrophobicContact CG2-CD1 4.42Å; V152-F207 HydrophobicContact CG2-CD2 3.77Å; V152-F207 HydrophobicContact CG2-CE1 4.4Å; V152-F207 HydrophobicContact CG2-CE2 3.73Å; V152-F207 HydrophobicContact CG2-CG 4.11Å; V152-F207 HydrophobicContact CG2-CZ 4.06Å; V152-K210 HydrophobicContact CG1-CG 4.23Å; V152-K210 HydrophobicContact CG2-CB 4.01Å; V152-K210 HydrophobicContact CG2-CG 3.95Å; V152-V212 HydrophobicContact CG2-CG2 4.49Å
153	D	98.2	Very high	98.1	Very high	76 Å²	76	21.5 Å²	21.5	41%	0.406	13%	0.126	S	C	.	.	H	α-helix	trans	-71.2	-37.7	177.6	-77.7	-34	0	0	0	111.9	E151 K156 T157 K210	E151-D153 PolarHBondContact O-N 3.45Å; E151-D153 VanDerWaalsContact O-N 3.17Å; D153-K156 PolarHBondContact O-N 3.26Å; D153-T157 WeakPolarHBondContact O-CB 3.43Å; D153-T157 PolarHBondContact O-N 3.41Å; D153-T157 PolarHBondContact O-OG1 3.22Å; D153-K210 WeakPolarHBondContact OD1-CE 3.43Å; D153-K210 IonicContact OD1-NZ 2.76Å; D153-K210 PolarHBondContact OD1-NZ 2.81Å; D153-K210 IonicContact OD2-NZ 2.75Å; D153-K210 PolarHBondContact OD2-NZ 3.44Å
154	Y	98.1	Very high	98.1	Very high	7 Å²	7	21.5 Å²	21.5	3%	0.027	13%	0.126	C	C	.	.	I	π-helix	trans	-60.7	-50.3	170.8	169.6	-95.5	0	0	0	110.9	F134 E151 K156 V158 V159 E462 M499 W501 V530	F134-Y154 HydrophobicContact CZ-CD1 4.26Å; F134-Y154 HydrophobicContact CZ-CE1 4.4Å; E151-Y154 WeakPolarHBondContact O-CB 3.3Å; E151-Y154 PolarHBondContact O-N 3.05Å; Y154-K156 VanDerWaalsContact C-N 3.33Å; Y154-K156 PolarHBondContact O-N 3.41Å; Y154-V158 HydrophobicContact CD2-CB 3.66Å; Y154-V158 HydrophobicContact CD2-CG1 3.88Å; Y154-V158 HydrophobicContact CD2-CG2 3.87Å; Y154-V158 HydrophobicContact CE2-CB 3.93Å; Y154-V158 HydrophobicContact CE2-CG1 3.65Å; Y154-V158 HydrophobicContact CE2-CG2 4.5Å; Y154-V158 HydrophobicContact CG-CB 4.35Å; Y154-V158 WeakPolarHBondContact O-CA 3.48Å; Y154-V158 VanDerWaalsContact O-CB 3.27Å; Y154-V158 WeakPolarHBondContact O-CB 3.49Å; Y154-V158 PolarHBondContact O-N 3.25Å; Y154-V159 HydrophobicContact CD1-CG2 4.16Å; Y154-V159 HydrophobicContact CE1-CG2 3.55Å; Y154-V159 PolarHBondContact O-N 3.08Å; Y154-E462 PolarHBondContact OH-OE1 3.35Å; Y154-M499 HydrophobicContact CE1-CE 4.37Å; Y154-W501 AromaticContact CD1-CH2 3.53Å; Y154-W501 HydrophobicContact CD1-CH2 3.53Å; Y154-W501 AromaticContact CD1-CZ3 3.65Å; Y154-W501 HydrophobicContact CD1-CZ3 3.65Å; Y154-W501 AromaticContact CD2-CZ3 3.88Å; Y154-W501 HydrophobicContact CD2-CZ3 3.88Å; Y154-W501 AromaticContact CE1-CH2 3.72Å; Y154-W501 HydrophobicContact CE1-CH2 3.72Å; Y154-W501 AromaticContact CE1-CZ3 3.71Å; Y154-W501 HydrophobicContact CE1-CZ3 3.71Å; Y154-W501 AromaticContact CE2-CZ3 3.93Å; Y154-W501 HydrophobicContact CE2-CZ3 3.93Å; Y154-W501 AromaticContact CG-CH2 4Å; Y154-W501 HydrophobicContact CG-CH2 4Å; Y154-W501 AromaticContact CG-CZ3 3.74Å; Y154-W501 HydrophobicContact CG-CZ3 3.74Å; Y154-W501 AromaticContact CZ-CZ3 3.85Å; Y154-V530 HydrophobicContact CD2-CG1 4.25Å; Y154-V530 HydrophobicContact CE2-CG1 3.62Å; Y154-V530 HydrophobicContact CE2-CG2 4.2Å
155	I	98.4	Very high	98.1	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.124	C	C	.	.	I	π-helix	trans	-58.3	-45.4	179.7	-66.4	168.1	0	0	0	111	Y127 L129 F134 L148 E151 V152 V159 G160 A161 V164 F207	Y127-I155 HydrophobicContact CD1-CD1 4.38Å; Y127-I155 HydrophobicContact CD1-CG1 3.98Å; Y127-I155 HydrophobicContact CD1-CG2 4.15Å; Y127-I155 HydrophobicContact CE1-CG1 4.02Å; L129-I155 HydrophobicContact CD2-CD1 4.15Å; F134-I155 HydrophobicContact CE1-CD1 4Å; F134-I155 HydrophobicContact CE1-CG1 4.4Å; F134-I155 HydrophobicContact CZ-CD1 4.17Å; F134-I155 HydrophobicContact CZ-CG1 4.15Å; L148-I155 HydrophobicContact CD1-CD1 3.81Å; E151-I155 PolarHBondContact O-N 3.47Å; V152-I155 PolarHBondContact O-N 3Å; I155-V159 WeakPolarHBondContact O-CB 3.43Å; I155-G160 PolarHBondContact O-N 2.88Å; I155-G160 VanDerWaalsContact O-N 3.11Å; I155-A161 HydrophobicContact CG2-CB 3.88Å; I155-A161 PolarHBondContact O-N 3.49Å; I155-V164 HydrophobicContact CD1-CG1 4.38Å; I155-V164 HydrophobicContact CG2-CG1 3.82Å; I155-F207 HydrophobicContact CD1-CE1 4.09Å; I155-F207 HydrophobicContact CD1-CZ 3.83Å
156	K	97.7	Very high	98.1	Very high	72 Å²	72	21 Å²	21	31%	0.313	12%	0.124	S	C	.	.	I	π-helix	trans	-77.9	-40.7	-175.1	-177.4	56.9	178.1	179.5	0	113.6	V152 D153 Y154 G160 A161 V212	V152-K156 VanDerWaalsContact O-CB 3.3Å; V152-K156 WeakPolarHBondContact O-CB 3.39Å; V152-K156 PolarHBondContact O-N 2.81Å; D153-K156 PolarHBondContact O-N 3.26Å; Y154-K156 VanDerWaalsContact C-N 3.33Å; Y154-K156 PolarHBondContact O-N 3.41Å; K156-G160 VanDerWaalsContact O-CA 3.28Å; K156-G160 WeakPolarHBondContact O-CA 3.16Å; K156-A161 WeakPolarHBondContact CD-O 3.15Å; K156-V212 HydrophobicContact CB-CG2 4.23Å; K156-V212 HydrophobicContact CD-CG2 3.96Å; K156-V212 HydrophobicContact CG-CG2 4.46Å
157	T	96.5	Very high	98.1	Very high	97 Å²	97	18.4 Å²	18.4	60%	0.595	11%	0.111	S	C	*	.	I	π-helix	trans	-104.6	-32	-167.8	69.4	0	0	0	0	113.5	D153	D153-T157 WeakPolarHBondContact O-CB 3.43Å; D153-T157 PolarHBondContact O-N 3.41Å; D153-T157 PolarHBondContact O-OG1 3.22Å
158	V	96.4	Very high	98	Very high	21 Å²	21	18.9 Å²	18.9	13%	0.127	11%	0.114	C	C	.	.	I	π-helix	trans	-91	-53.9	179.2	-177.3	0	0	0	0	110	Y154 L534 L543 K547	Y154-V158 HydrophobicContact CD2-CB 3.66Å; Y154-V158 HydrophobicContact CD2-CG1 3.88Å; Y154-V158 HydrophobicContact CD2-CG2 3.87Å; Y154-V158 HydrophobicContact CE2-CB 3.93Å; Y154-V158 HydrophobicContact CE2-CG1 3.65Å; Y154-V158 HydrophobicContact CE2-CG2 4.5Å; Y154-V158 HydrophobicContact CG-CB 4.35Å; Y154-V158 WeakPolarHBondContact O-CA 3.48Å; Y154-V158 VanDerWaalsContact O-CB 3.27Å; Y154-V158 WeakPolarHBondContact O-CB 3.49Å; Y154-V158 PolarHBondContact O-N 3.25Å; V158-L534 HydrophobicContact CG1-CD1 4.19Å; V158-L534 HydrophobicContact CG1-CD2 3.96Å; V158-L534 HydrophobicContact CG2-CD1 4.44Å; V158-L543 HydrophobicContact CG1-CD1 4.03Å; V158-L543 HydrophobicContact CG1-CD2 3.94Å; V158-L543 HydrophobicContact CG1-CG 4.08Å; V158-K547 HydrophobicContact CG1-CD 4.29Å; V158-K547 WeakPolarHBondContact O-CG 2.99Å
159	V	97.2	Very high	97.9	Very high	1 Å²	1	19 Å²	19	1%	0.006	11%	0.114	C	C	.	.	I	π-helix	trans	-73.7	-36.9	175.7	-177.9	0	0	0	0	110.7	Y127 Y154 I155 A161 I457 V550	Y127-V159 HydrophobicContact CD2-CG1 3.69Å; Y127-V159 HydrophobicContact CD2-CG2 4.48Å; Y127-V159 HydrophobicContact CE2-CG1 3.99Å; Y127-V159 HydrophobicContact CE2-CG2 4.07Å; Y127-V159 HydrophobicContact CG-CG1 4.3Å; Y154-V159 HydrophobicContact CD1-CG2 4.16Å; Y154-V159 HydrophobicContact CE1-CG2 3.55Å; Y154-V159 PolarHBondContact O-N 3.08Å; I155-V159 WeakPolarHBondContact O-CB 3.43Å; V159-A161 HydrophobicContact CG1-CB 4.46Å; V159-I457 HydrophobicContact CG1-CD1 4.01Å; V159-V550 WeakPolarHBondContact O-CG2 3.43Å
160	G	97.2	Very high	97.9	Very high	22 Å²	22	19 Å²	19	23%	0.227	11%	0.114	C	C	.	.			trans	85.6	21.2	-179.5	0	0	0	0	0	114	I155 K156	I155-G160 PolarHBondContact O-N 2.88Å; I155-G160 VanDerWaalsContact O-N 3.11Å; K156-G160 VanDerWaalsContact O-CA 3.28Å; K156-G160 WeakPolarHBondContact O-CA 3.16Å
161	A	98.3	Very high	97.8	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	144.6	-175.9	0	0	0	0	0	112.7	V125 I155 K156 V159	V125-A161 CarbonylContact O-C 3.51Å; V125-A161 WeakPolarHBondContact O-CA 3.38Å; I155-A161 HydrophobicContact CG2-CB 3.88Å; I155-A161 PolarHBondContact O-N 3.49Å; K156-A161 WeakPolarHBondContact CD-O 3.15Å; V159-A161 HydrophobicContact CG1-CB 4.46Å
162	G	98.2	Very high	97.7	Very high	4 Å²	4	18 Å²	18	4%	0.041	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	-15.4	172.1	0	0	0	0	0	113.7	T124 V125 V212 K213	T124-G162 WeakPolarHBondContact OG1-CA 3.4Å; V125-G162 PolarHBondContact O-N 3.42Å; G162-V212 WeakPolarHBondContact O-CA 3.33Å; G162-K213 PolarHBondContact O-N 3.39Å
163	Y	98.8	Very high	97.6	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	155	174.4	66.4	-83.5	0	0	0	110.9	F120 W121 G126 Y127 I165 K213 I215	F120-Y163 AromaticContact CD2-CD1 3.97Å; F120-Y163 HydrophobicContact CD2-CD1 3.97Å; F120-Y163 HydrophobicContact CD2-CG 4.07Å; F120-Y163 HydrophobicContact CE2-CD1 4.14Å; F120-Y163 HydrophobicContact CE2-CD2 4.35Å; F120-Y163 AromaticContact CE2-CG 3.84Å; F120-Y163 HydrophobicContact CE2-CG 3.84Å; W121-Y163 HydrophobicContact CB-CE1 4.24Å; G126-Y163 VanDerWaalsContact CA-CE2 3.44Å; G126-Y163 WeakPolarHBondContact CA-O 3.48Å; G126-Y163 VanDerWaalsContact N-CE1 3.26Å; Y127-Y163 PolarHBondContact N-O 3.28Å; Y163-I165 HydrophobicContact CD2-CG1 4.19Å; Y163-I165 HydrophobicContact CE2-CD1 4.09Å; Y163-I165 HydrophobicContact CE2-CG1 4.01Å; Y163-K213 CarbonylContact C-O 3.46Å; Y163-K213 VanDerWaalsContact CA-O 3.23Å; Y163-K213 WeakPolarHBondContact CA-O 3.3Å; Y163-I215 HydrophobicContact CD2-CD1 3.73Å; Y163-I215 HydrophobicContact CD2-CG1 4.4Å; Y163-I215 HydrophobicContact CG-CD1 4.18Å
164	V	98.9	Very high	97.5	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	140.7	171.7	-64.9	0	0	0	0	111.1	Y127 L129 I155 L166 F203 F207 V212 K213 V214 I215	Y127-V164 CarbonylContact O-C 3.44Å; Y127-V164 WeakPolarHBondContact O-CA 3.29Å; L129-V164 HydrophobicContact CD2-CG1 4.36Å; I155-V164 HydrophobicContact CD1-CG1 4.38Å; I155-V164 HydrophobicContact CG2-CG1 3.82Å; V164-L166 HydrophobicContact CB-CD2 4.33Å; V164-L166 HydrophobicContact CG2-CD2 3.97Å; V164-F203 HydrophobicContact CG2-CZ 4.45Å; V164-F207 HydrophobicContact CB-CE1 4.44Å; V164-F207 HydrophobicContact CG1-CD1 4.43Å; V164-F207 HydrophobicContact CG1-CE1 3.81Å; V164-F207 HydrophobicContact CG2-CD1 3.85Å; V164-F207 HydrophobicContact CG2-CE1 3.76Å; V164-V212 HydrophobicContact CG1-CG1 4.02Å; V164-V212 HydrophobicContact CG2-CG1 4.46Å; V164-K213 PolarHBondContact N-O 3.07Å; V164-V214 HydrophobicContact CG2-CB 4.47Å; V164-V214 HydrophobicContact CG2-CG2 4.04Å; V164-I215 WeakPolarHBondContact O-CB 3.49Å; V164-I215 WeakPolarHBondContact O-CD1 3.42Å; V164-I215 PolarHBondContact O-N 3.14Å
165	I	98.8	Very high	97.4	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	114	165.6	-57	171.1	0	0	0	105.8	Y127 W128 L129 Y163 I215 L302 I456	Y127-I165 PolarHBondContact O-N 2.79Å; W128-I165 VanDerWaalsContact CA-O 3.32Å; W128-I165 WeakPolarHBondContact CA-O 3.25Å; W128-I165 HydrophobicContact CB-CB 4.06Å; W128-I165 HydrophobicContact CD2-CG2 4.26Å; W128-I165 HydrophobicContact CG-CB 3.94Å; W128-I165 HydrophobicContact CG-CG2 4.03Å; L129-I165 PolarHBondContact N-O 3.45Å; Y163-I165 HydrophobicContact CD2-CG1 4.19Å; Y163-I165 HydrophobicContact CE2-CD1 4.09Å; Y163-I165 HydrophobicContact CE2-CG1 4.01Å; I165-I215 HydrophobicContact CG1-CB 4.13Å; I165-I215 HydrophobicContact CG1-CG2 4.24Å; I165-I215 HydrophobicContact CG2-CG2 4.32Å; I165-L302 HydrophobicContact CD1-CD1 4.14Å; I165-L302 HydrophobicContact CG2-CB 4.19Å; I165-L302 HydrophobicContact CG2-CD1 3.98Å; I165-I456 HydrophobicContact CD1-CD1 4.01Å; I165-I456 HydrophobicContact CD1-CG1 4.47Å; I165-I456 HydrophobicContact CD1-CG2 4.32Å
166	L	98.7	Very high	97.2	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	134.5	173	-53.9	-169.7	0	0	0	108.3	L129 V131 L148 V164 I169 F203 V214 I215 L216 T217	L129-L166 HydrophobicContact CD1-CD2 3.86Å; L129-L166 HydrophobicContact CG-CD2 4.15Å; V131-L166 HydrophobicContact CG2-CB 4.34Å; V131-L166 HydrophobicContact CG2-CD1 4.23Å; V131-L166 HydrophobicContact CG2-CD2 4.18Å; V131-L166 HydrophobicContact CG2-CG 4.49Å; L148-L166 HydrophobicContact CD2-CD2 3.79Å; V164-L166 HydrophobicContact CB-CD2 4.33Å; V164-L166 HydrophobicContact CG2-CD2 3.97Å; L166-I169 HydrophobicContact CB-CG2 4.36Å; L166-I169 HydrophobicContact CD1-CD1 4.36Å; L166-I169 HydrophobicContact CD1-CG2 4.43Å; L166-F203 HydrophobicContact CD1-CE1 3.77Å; L166-F203 HydrophobicContact CD1-CZ 3.75Å; L166-F203 HydrophobicContact CD2-CZ 4.22Å; L166-F203 HydrophobicContact CG-CZ 4.41Å; L166-V214 HydrophobicContact CD1-CG1 4.33Å; L166-V214 HydrophobicContact CG-CG1 4.48Å; L166-I215 PolarHBondContact N-O 3.26Å; L166-L216 HydrophobicContact CB-CD2 4.16Å; L166-L216 HydrophobicContact CD1-CD2 3.81Å; L166-L216 HydrophobicContact CG-CD2 4.2Å; L166-T217 WeakPolarHBondContact O-CB 3.31Å; L166-T217 PolarHBondContact O-N 2.91Å; L166-T217 VanDerWaalsContact O-N 3.09Å; L166-T217 PolarHBondContact O-OG1 3.05Å
167	G	97.4	Very high	97	Very high	5 Å²	5	18.2 Å²	18.2	5%	0.052	12%	0.115	C	C	.	.	P	Polyproline II helix	trans	-54.7	173.5	160.2	0	0	0	0	0	111.5	L129 I169	L129-G167 PolarHBondContact O-N 3.1Å; G167-I169 WeakPolarHBondContact O-CG2 3.33Å; G167-I169 PolarHBondContact O-N 2.84Å
168	P	96.6	Very high	96.8	Very high	9 Å²	9	16.5 Å²	16.5	6%	0.058	10%	0.1	C	C	.	.	P	Polyproline II helix	trans	-59.4	125.7	-177.8	-20.8	32	0	0	0	111.3	F132 F173 T217	F132-P168 WeakPolarHBondContact CE2-O 3.34Å; P168-F173 HydrophobicContact CB-CB 4.44Å; P168-F173 HydrophobicContact CB-CD2 3.52Å; P168-F173 HydrophobicContact CB-CE2 3.88Å; P168-F173 HydrophobicContact CB-CG 3.99Å; P168-F173 HydrophobicContact CG-CD2 3.86Å; P168-F173 HydrophobicContact CG-CE2 3.69Å; P168-F173 HydrophobicContact CG-CZ 4.42Å; P168-T217 HydrophobicContact CG-CG2 4.14Å
169	I	98	Very high	96.5	Very high	3 Å²	3	20.4 Å²	20.4	2%	0.015	12%	0.12	C	C	.	.			trans	-113.1	3.3	179.6	61.2	173.2	0	0	0	112.8	V131 L166 G167 L190 D191 V194 F200 L216	V131-I169 HydrophobicContact CB-CG2 4.33Å; V131-I169 HydrophobicContact CG2-CG2 3.66Å; L166-I169 HydrophobicContact CB-CG2 4.36Å; L166-I169 HydrophobicContact CD1-CD1 4.36Å; L166-I169 HydrophobicContact CD1-CG2 4.43Å; G167-I169 WeakPolarHBondContact O-CG2 3.33Å; G167-I169 PolarHBondContact O-N 2.84Å; I169-L190 HydrophobicContact CB-CD2 4.33Å; I169-L190 HydrophobicContact CD1-CD2 3.61Å; I169-L190 HydrophobicContact CG1-CD2 3.89Å; I169-D191 PolarHBondContact O-N 3.04Å; I169-V194 HydrophobicContact CB-CG1 4.46Å; I169-V194 HydrophobicContact CB-CG2 4.19Å; I169-V194 HydrophobicContact CG2-CG2 4.08Å; I169-F200 HydrophobicContact CD1-CD2 4.1Å; I169-F200 HydrophobicContact CD1-CE2 3.79Å; I169-L216 HydrophobicContact CD1-CD1 4.34Å; I169-L216 HydrophobicContact CD1-CD2 3.78Å; I169-L216 HydrophobicContact CG1-CD2 4.47Å
170	T	97.8	Very high	96.3	Very high	2 Å²	2	20.4 Å²	20.4	1%	0.012	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	157.3	-173.3	53.1	0	0	0	0	111.8	G172 F173 Y187 E189 F218 W293	T170-G172 PolarHBondContact O-N 3.47Å; T170-F173 WeakPolarHBondContact O-CB 3.35Å; T170-F173 PolarHBondContact O-N 3.22Å; T170-F173 VanDerWaalsContact O-N 3.17Å; T170-Y187 WeakPolarHBondContact CG2-O 3.35Å; T170-E189 CarbonylContact C-O 3.57Å; T170-E189 VanDerWaalsContact CA-O 3.29Å; T170-E189 WeakPolarHBondContact CA-O 3.19Å; T170-F218 HydrophobicContact CG2-CE1 3.92Å; T170-W293 HydrophobicContact CG2-CZ2 4.1Å
171	K	97.6	Very high	96.2	Very high	50 Å²	50	19.3 Å²	19.3	22%	0.217	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-47.7	131.3	-174.9	-171.7	177.2	-165	162.6	0	113.4	E185 D186 E189 E192	K171-E185 PolarHBondContact O-N 3.09Å; K171-D186 HydrophobicContact CB-CB 4.16Å; K171-D186 HydrophobicContact CD-CB 4.11Å; K171-D186 PolarHBondContact N-O 2.88Å; K171-D186 PolarHBondContact O-N 3.32Å; K171-E189 HydrophobicContact CB-CB 4.02Å; K171-E189 HydrophobicContact CD-CB 4.12Å; K171-E189 WeakPolarHBondContact CD-OE2 3.42Å; K171-E189 PolarHBondContact N-O 2.76Å; K171-E189 IonicContact NZ-OE2 3.41Å; K171-E189 PolarHBondContact NZ-OE2 3.07Å; K171-E192 VanDerWaalsContact CE-OE1 3.24Å; K171-E192 WeakPolarHBondContact CE-OE1 3.49Å; K171-E192 IonicContact NZ-OE1 2.77Å
172	G	95.7	Very high	95.8	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	93.4	-17.6	176.9	0	0	0	0	0	113.5	T170 Y174 N176 L183 D191	T170-G172 PolarHBondContact O-N 3.47Å; G172-Y174 PolarHBondContact O-N 3.08Å; G172-Y174 VanDerWaalsContact O-N 3.13Å; G172-N176 WeakPolarHBondContact O-CB 3.5Å; G172-N176 PolarHBondContact O-N 3.44Å; G172-N176 PolarHBondContact O-ND2 2.94Å; G172-L183 CarbonylContact C-O 3.49Å; G172-D191 PolarHBondContact N-OD2 3.09Å
173	F	96.1	Very high	95.5	Very high	3 Å²	3	19.4 Å²	19.4	1%	0.013	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-43.3	-176.7	179.4	-96	0	0	0	112.1	F132 P168 T170 L181 G182 L183 D191 Y484 H496	F132-F173 AromaticContact CD2-CD1 3.83Å; F132-F173 HydrophobicContact CD2-CD1 3.83Å; F132-F173 AromaticContact CD2-CE1 3.95Å; F132-F173 HydrophobicContact CD2-CE1 3.95Å; F132-F173 AromaticContact CE2-CD1 3.35Å; F132-F173 HydrophobicContact CE2-CD1 3.35Å; F132-F173 AromaticContact CE2-CE1 3.91Å; F132-F173 HydrophobicContact CE2-CE1 3.91Å; F132-F173 HydrophobicContact CE2-CG 4.31Å; F132-F173 HydrophobicContact CZ-CD1 4.2Å; P168-F173 HydrophobicContact CB-CB 4.44Å; P168-F173 HydrophobicContact CB-CD2 3.52Å; P168-F173 HydrophobicContact CB-CE2 3.88Å; P168-F173 HydrophobicContact CB-CG 3.99Å; P168-F173 HydrophobicContact CG-CD2 3.86Å; P168-F173 HydrophobicContact CG-CE2 3.69Å; P168-F173 HydrophobicContact CG-CZ 4.42Å; T170-F173 WeakPolarHBondContact O-CB 3.35Å; T170-F173 PolarHBondContact O-N 3.22Å; T170-F173 VanDerWaalsContact O-N 3.17Å; F173-L181 HydrophobicContact CZ-CB 4.47Å; F173-L181 WeakPolarHBondContact O-CA 3.38Å; F173-G182 PolarHBondContact O-N 2.88Å; F173-L183 WeakPolarHBondContact CA-O 3.28Å; F173-L183 PolarHBondContact N-O 3.35Å; F173-L183 VanDerWaalsContact N-O 3.09Å; F173-D191 PolarHBondContact N-OD2 2.92Å; F173-D191 VanDerWaalsContact N-OD2 3.17Å; F173-Y484 HydrophobicContact CE2-CE2 4.32Å; F173-Y484 HydrophobicContact CZ-CE2 4.45Å; F173-H496 AromaticContact CZ-CE1 3.88Å
174	Y	96.3	Very high	95.3	Very high	16 Å²	16	19.6 Å²	19.6	6%	0.063	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.7	-46.7	171.1	-178.1	-103	0	0	0	111.9	I142 G172 N176 L181 D191 A193 Y478 K482	I142-Y174 HydrophobicContact CD1-CD1 4.34Å; I142-Y174 HydrophobicContact CD1-CE1 3.38Å; I142-Y174 WeakPolarHBondContact CD1-OH 3.09Å; I142-Y174 HydrophobicContact CG1-CE1 4.2Å; G172-Y174 PolarHBondContact O-N 3.08Å; G172-Y174 VanDerWaalsContact O-N 3.13Å; Y174-N176 VanDerWaalsContact C-N 3.32Å; Y174-N176 PolarHBondContact O-N 3.24Å; Y174-L181 HydrophobicContact CD2-CD2 3.69Å; Y174-L181 HydrophobicContact CE2-CD2 4.37Å; Y174-D191 WeakPolarHBondContact CA-OD2 3.49Å; Y174-D191 PolarHBondContact N-OD2 2.88Å; Y174-A193 HydrophobicContact CD1-CB 3.78Å; Y174-A193 HydrophobicContact CE1-CB 4.38Å; Y174-Y478 HydrophobicContact CD2-CD2 4.19Å; Y174-Y478 AromaticContact CD2-CE2 3.5Å; Y174-Y478 HydrophobicContact CD2-CE2 3.5Å; Y174-Y478 VanDerWaalsContact CD2-CE2 3.5Å; Y174-Y478 AromaticContact CE2-CD2 3.83Å; Y174-Y478 HydrophobicContact CE2-CD2 3.83Å; Y174-Y478 AromaticContact CE2-CE2 3.59Å; Y174-Y478 HydrophobicContact CE2-CE2 3.59Å; Y174-Y478 HydrophobicContact CG-CE2 4.38Å; Y174-K482 HydrophobicContact CD2-CD 4Å; Y174-K482 HydrophobicContact CE2-CD 3.72Å; Y174-K482 PolarHBondContact O-NZ 3.23Å
175	T	96	Very high	95.2	Very high	54 Å²	54	21.3 Å²	21.3	33%	0.331	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	6.7	-168.4	52.7	0	0	0	0	115.9	D191 E192 A193	T175-D191 WeakPolarHBondContact CG2-OD1 3.43Å; T175-D191 PolarHBondContact N-OD2 2.65Å; T175-D191 PolarHBondContact OG1-OD1 3.48Å; T175-D191 PolarHBondContact OG1-OD2 2.58Å; T175-D191 VanDerWaalsContact OG1-OD2 3.11Å; T175-E192 WeakPolarHBondContact CB-OE2 3.12Å; T175-E192 HydrophobicContact CG2-CB 4.33Å; T175-E192 PolarHBondContact OG1-OE2 3.01Å; T175-A193 HydrophobicContact CG2-CB 4.05Å
176	N	94.3	Very high	95.1	Very high	8 Å²	8	21.7 Å²	21.7	4%	0.043	12%	0.121	C	C	.	.			trans	-57.1	157.6	179	65	81.3	0	0	0	113.7	G172 Y174 H178 N179 M180 L183 E185	G172-N176 WeakPolarHBondContact O-CB 3.5Å; G172-N176 PolarHBondContact O-N 3.44Å; G172-N176 PolarHBondContact O-ND2 2.94Å; Y174-N176 VanDerWaalsContact C-N 3.32Å; Y174-N176 PolarHBondContact O-N 3.24Å; N176-H178 PolarHBondContact O-N 3.28Å; N176-H178 WeakPolarHBondContact OD1-CA 3.41Å; N176-H178 WeakPolarHBondContact OD1-CB 3.36Å; N176-H178 PolarHBondContact OD1-N 3.17Å; N176-N179 PolarHBondContact OD1-N 2.83Å; N176-M180 PolarHBondContact ND2-O 3.29Å; N176-L183 HydrophobicContact CB-CB 4.33Å; N176-L183 HydrophobicContact CB-CD1 4.44Å; N176-E185 WeakPolarHBondContact CB-OE1 3.36Å
177	S	91.7	Very high	95	Very high	88 Å²	88	21.8 Å²	21.8	62%	0.615	12%	0.121	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-8.5	179.8	61.3	0	0	0	0	115.2	N226	S177-N226 PolarHBondContact OG-ND2 3.28Å
178	H	92.2	Very high	95	Very high	61 Å²	61	24.5 Å²	24.5	28%	0.282	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.2	3	-175	-63.2	-77.2	0	0	0	113.9	N176 M180 L183 N226 P271	N176-H178 PolarHBondContact O-N 3.28Å; N176-H178 WeakPolarHBondContact OD1-CA 3.41Å; N176-H178 WeakPolarHBondContact OD1-CB 3.36Å; N176-H178 PolarHBondContact OD1-N 3.17Å; H178-M180 VanDerWaalsContact C-N 3.31Å; H178-M180 HydrophobicContact CB-CG 3.97Å; H178-M180 HydrophobicContact CB-SD 4.03Å; H178-M180 PolarHBondContact O-N 3.29Å; H178-L183 HydrophobicContact CB-CD1 3.66Å; H178-N226 PolarHBondContact NE2-ND2 2.59Å; H178-P271 HydrophobicContact CB-CG 4.02Å
179	N	91.2	Very high	95.1	Very high	103 Å²	103	27.8 Å²	27.8	55%	0.551	15%	0.147	S	C	*	.	S	Bend	trans	53.6	44.2	176.3	-167	46.3	0	0	0	113.6	N176 K482	N176-N179 PolarHBondContact OD1-N 2.83Å; N179-K482 WeakPolarHBondContact OD1-CE 3.27Å; N179-K482 WeakPolarHBondContact OD1-CG 3.34Å
180	M	93.4	Very high	95.1	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.15	C	C	.	.			trans	-140.2	168	179.7	60.1	-173.6	-78.7	0	0	110.5	N176 H178 L183 P271 L483 N485 N486	N176-M180 PolarHBondContact ND2-O 3.29Å; H178-M180 VanDerWaalsContact C-N 3.31Å; H178-M180 HydrophobicContact CB-CG 3.97Å; H178-M180 HydrophobicContact CB-SD 4.03Å; H178-M180 PolarHBondContact O-N 3.29Å; M180-L183 HydrophobicContact CE-CD1 4.14Å; M180-L183 HydrophobicContact CE-CD2 4.24Å; M180-L183 HydrophobicContact CE-CG 3.94Å; M180-L183 HydrophobicContact CG-CD1 3.51Å; M180-L183 HydrophobicContact CG-CG 3.98Å; M180-L183 HydrophobicContact SD-CD1 3.52Å; M180-L183 VanDerWaalsContact SD-CD1 3.52Å; M180-L183 HydrophobicContact SD-CG 4Å; M180-P271 HydrophobicContact SD-CG 3.79Å; M180-L483 WeakPolarHBondContact CB-O 3.14Å; M180-N485 HydrophobicContact CE-CB 4.39Å; M180-N486 VanDerWaalsContact CB-OD1 3.25Å; M180-N486 WeakPolarHBondContact CB-OD1 2.98Å; M180-N486 HydrophobicContact CE-CB 4.43Å; M180-N486 PolarHBondContact SD-ND2 3.49Å
181	L	94.2	Very high	95.1	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.149	C	C	.	.	B	Isolated β-bridge	trans	-96.3	156.6	171	-50	176.7	0	0	0	110.7	F173 Y174 P479 K482 L483 Y484 N485 H496	F173-L181 HydrophobicContact CZ-CB 4.47Å; F173-L181 WeakPolarHBondContact O-CA 3.38Å; Y174-L181 HydrophobicContact CD2-CD2 3.69Å; Y174-L181 HydrophobicContact CE2-CD2 4.37Å; L181-P479 HydrophobicContact CD1-CB 3.72Å; L181-P479 HydrophobicContact CD1-CG 4.22Å; L181-P479 HydrophobicContact CD2-CB 4.08Å; L181-P479 HydrophobicContact CG-CB 4.2Å; L181-K482 HydrophobicContact CD2-CB 4.2Å; L181-K482 HydrophobicContact CD2-CD 4.21Å; L181-K482 HydrophobicContact CG-CB 4.21Å; L181-L483 PolarHBondContact N-O 3.25Å; L181-Y484 HydrophobicContact CB-CD2 3.99Å; L181-N485 PolarHBondContact O-N 2.96Å; L181-H496 HydrophobicContact CD1-CB 4.03Å
182	G	90.4	Very high	95.1	Very high	5 Å²	5	31.2 Å²	31.2	5%	0.052	16%	0.163	C	C	.	.	S	Bend	trans	94.2	-1.9	168.6	0	0	0	0	0	115.8	F173	F173-G182 PolarHBondContact O-N 2.88Å
183	L	92.1	Very high	95.1	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.17	C	C	.	.			trans	-89.1	134	171.7	-66.4	175.6	0	0	0	110.5	G172 F173 N176 H178 M180 P271 N272	G172-L183 CarbonylContact C-O 3.49Å; F173-L183 WeakPolarHBondContact CA-O 3.28Å; F173-L183 PolarHBondContact N-O 3.35Å; F173-L183 VanDerWaalsContact N-O 3.09Å; N176-L183 HydrophobicContact CB-CB 4.33Å; N176-L183 HydrophobicContact CB-CD1 4.44Å; H178-L183 HydrophobicContact CB-CD1 3.66Å; M180-L183 HydrophobicContact CE-CD1 4.14Å; M180-L183 HydrophobicContact CE-CD2 4.24Å; M180-L183 HydrophobicContact CE-CG 3.94Å; M180-L183 HydrophobicContact CG-CD1 3.51Å; M180-L183 HydrophobicContact CG-CG 3.98Å; M180-L183 HydrophobicContact SD-CD1 3.52Å; M180-L183 VanDerWaalsContact SD-CD1 3.52Å; M180-L183 HydrophobicContact SD-CG 4Å; L183-P271 HydrophobicContact CD1-CG 3.6Å; L183-P271 HydrophobicContact CD2-CG 4.06Å; L183-P271 HydrophobicContact CG-CG 4.45Å; L183-N272 HydrophobicContact CD2-CB 4.45Å; L183-N272 VanDerWaalsContact CD2-CG 3.5Å; L183-N272 VanDerWaalsContact CD2-OD1 3.24Å; L183-N272 WeakPolarHBondContact CD2-OD1 3.49Å
184	V	94.3	Very high	95.2	Very high	5 Å²	5	31.9 Å²	31.9	3%	0.03	17%	0.169	C	C	.	.			trans	-111.4	142.3	173.1	179.6	0	0	0	0	109.6	Y187 S224 H227	V184-Y187 HydrophobicContact CB-CE1 4.09Å; V184-Y187 HydrophobicContact CG1-CD1 3.72Å; V184-Y187 HydrophobicContact CG1-CD2 4.39Å; V184-Y187 HydrophobicContact CG1-CE1 3.69Å; V184-Y187 HydrophobicContact CG1-CE2 4.36Å; V184-Y187 HydrophobicContact CG1-CG 4.09Å; V184-Y187 HydrophobicContact CG2-CE1 4.18Å; V184-S224 WeakPolarHBondContact O-CB 3.35Å; V184-S224 PolarHBondContact O-N 2.82Å; V184-H227 PolarHBondContact O-CD2 2.91Å; V184-H227 VanDerWaalsContact O-CD2 3.29Å
185	E	96	Very high	95.2	Very high	35 Å²	35	32.3 Å²	32.3	16%	0.164	18%	0.179	C	C	.	.	S	Bend	trans	-117.3	-28.2	-179.7	-66.7	-178.2	170.1	0	0	113.5	K171 N176 H227 K228	K171-E185 PolarHBondContact O-N 3.09Å; N176-E185 WeakPolarHBondContact CB-OE1 3.36Å; E185-H227 WeakPolarHBondContact O-CA 3.47Å; E185-H227 PolarHBondContact O-CD2 3.05Å; E185-H227 VanDerWaalsContact O-CD2 3.28Å; E185-H227 VanDerWaalsContact O-CG 3.28Å; E185-H227 PolarHBondContact O-NE2 3.45Å; E185-K228 PolarHBondContact O-N 3.34Å
186	D	97.1	Very high	95.4	Very high	9 Å²	9	33.3 Å²	33.3	5%	0.048	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	122.9	167.2	-166.9	-27.8	0	0	0	110.7	K171 K188 E189 K228	K171-D186 HydrophobicContact CB-CB 4.16Å; K171-D186 HydrophobicContact CD-CB 4.11Å; K171-D186 PolarHBondContact N-O 2.88Å; K171-D186 PolarHBondContact O-N 3.32Å; D186-K188 VanDerWaalsContact C-N 3.33Å; D186-K188 PolarHBondContact O-N 2.84Å; D186-K188 PolarHBondContact OD1-N 3.08Å; D186-E189 HydrophobicContact CB-CB 4.3Å; D186-K228 WeakPolarHBondContact OD2-CD 3.19Å; D186-K228 IonicContact OD2-NZ 3.87Å; D186-K228 PolarHBondContact OD2-NZ 2.89Å
187	Y	97.7	Very high	95.5	Very high	1 Å²	1	35 Å²	35	0%	0.004	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	-12.1	178.6	-67.8	-74.7	0	0	0	115.3	T170 V184 F218 N219 F220 I223 H227 W229 V289 W293	T170-Y187 WeakPolarHBondContact CG2-O 3.35Å; V184-Y187 HydrophobicContact CB-CE1 4.09Å; V184-Y187 HydrophobicContact CG1-CD1 3.72Å; V184-Y187 HydrophobicContact CG1-CD2 4.39Å; V184-Y187 HydrophobicContact CG1-CE1 3.69Å; V184-Y187 HydrophobicContact CG1-CE2 4.36Å; V184-Y187 HydrophobicContact CG1-CG 4.09Å; V184-Y187 HydrophobicContact CG2-CE1 4.18Å; Y187-F218 AromaticContact CD1-CD1 3.92Å; Y187-F218 HydrophobicContact CD1-CD1 3.92Å; Y187-N219 PolarHBondContact OH-O 3.16Å; Y187-F220 HydrophobicContact CD1-CD1 4.49Å; Y187-F220 HydrophobicContact CD1-CE1 4.07Å; Y187-F220 HydrophobicContact CD2-CE1 4.41Å; Y187-F220 HydrophobicContact CE1-CD1 4.06Å; Y187-F220 HydrophobicContact CE1-CE1 4.08Å; Y187-F220 HydrophobicContact CE2-CD1 4.2Å; Y187-F220 HydrophobicContact CE2-CE1 4.43Å; Y187-F220 HydrophobicContact CG-CE1 4.22Å; Y187-F220 AromaticContact CZ-CD1 3.9Å; Y187-I223 HydrophobicContact CE2-CG2 3.68Å; Y187-I223 WeakPolarHBondContact OH-CG2 3.3Å; Y187-H227 AromaticContact CD2-NE2 3.32Å; Y187-H227 VanDerWaalsContact CD2-NE2 3.32Å; Y187-H227 WeakPolarHBondContact CD2-NE2 3.18Å; Y187-H227 AromaticContact CE2-NE2 3.45Å; Y187-H227 WeakPolarHBondContact CE2-NE2 3.42Å; Y187-W229 HydrophobicContact CD2-CE3 4.22Å; Y187-W229 AromaticContact CD2-CH2 3.3Å; Y187-W229 HydrophobicContact CD2-CH2 3.3Å; Y187-W229 AromaticContact CD2-CZ2 3.78Å; Y187-W229 HydrophobicContact CD2-CZ2 3.78Å; Y187-W229 AromaticContact CD2-CZ3 3.55Å; Y187-W229 HydrophobicContact CD2-CZ3 3.55Å; Y187-W229 HydrophobicContact CE2-CE3 4.09Å; Y187-W229 AromaticContact CE2-CH2 3.64Å; Y187-W229 HydrophobicContact CE2-CH2 3.64Å; Y187-W229 HydrophobicContact CE2-CZ2 4.48Å; Y187-W229 AromaticContact CE2-CZ3 3.4Å; Y187-W229 HydrophobicContact CE2-CZ3 3.4Å; Y187-W229 HydrophobicContact CG-CH2 4.32Å; Y187-V289 HydrophobicContact CG-CG2 4.43Å; Y187-W293 PolarHBondContact O-NE1 3.04Å
188	K	97.3	Very high	95.8	Very high	63 Å²	63	35.8 Å²	35.8	27%	0.274	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	0.1	-178.9	-65.3	-177.5	-177	170.3	0	113.4	D186 N288 V289 F292	D186-K188 VanDerWaalsContact C-N 3.33Å; D186-K188 PolarHBondContact O-N 2.84Å; D186-K188 PolarHBondContact OD1-N 3.08Å; K188-N288 VanDerWaalsContact CE-O 3.27Å; K188-N288 WeakPolarHBondContact CE-O 3.45Å; K188-N288 VanDerWaalsContact NZ-CB 3.28Å; K188-V289 HydrophobicContact CG-CG2 4.11Å; K188-F292 HydrophobicContact CB-CD1 4.25Å; K188-F292 HydrophobicContact CB-CE1 4.33Å; K188-F292 HydrophobicContact CB-CG 4.44Å; K188-F292 HydrophobicContact CD-CB 4.3Å; K188-F292 HydrophobicContact CD-CG 4.33Å; K188-F292 HydrophobicContact CG-CB 4.32Å; K188-F292 HydrophobicContact CG-CD1 4.19Å; K188-F292 HydrophobicContact CG-CG 4.14Å; K188-F292 WeakPolarHBondContact O-CE1 3.22Å; K188-F292 WeakPolarHBondContact O-CZ 3.35Å
189	E	97.6	Very high	96.1	Very high	78 Å²	78	34.6 Å²	34.6	36%	0.364	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	145.5	171.8	-68.6	-179.3	-163.9	0	0	109	T170 K171 D186 K228	T170-E189 CarbonylContact C-O 3.57Å; T170-E189 VanDerWaalsContact CA-O 3.29Å; T170-E189 WeakPolarHBondContact CA-O 3.19Å; K171-E189 HydrophobicContact CB-CB 4.02Å; K171-E189 HydrophobicContact CD-CB 4.12Å; K171-E189 WeakPolarHBondContact CD-OE2 3.42Å; K171-E189 PolarHBondContact N-O 2.76Å; K171-E189 IonicContact NZ-OE2 3.41Å; K171-E189 PolarHBondContact NZ-OE2 3.07Å; D186-E189 HydrophobicContact CB-CB 4.3Å; E189-K228 IonicContact OE1-NZ 3.53Å
190	L	98.4	Very high	96.5	Very high	15 Å²	15	29.7 Å²	29.7	8%	0.079	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	149.2	170.3	-70.9	170.7	0	0	0	109.7	L145 I169 V194 T196 M197 F200 W293	L145-L190 HydrophobicContact CD1-CD1 4.19Å; I169-L190 HydrophobicContact CB-CD2 4.33Å; I169-L190 HydrophobicContact CD1-CD2 3.61Å; I169-L190 HydrophobicContact CG1-CD2 3.89Å; L190-V194 HydrophobicContact CB-CG1 3.77Å; L190-V194 HydrophobicContact CD1-CG1 4.38Å; L190-V194 HydrophobicContact CD2-CG1 3.89Å; L190-V194 HydrophobicContact CG-CG1 4.22Å; L190-T196 VanDerWaalsContact CD1-C 3.48Å; L190-T196 WeakPolarHBondContact CD1-O 3.49Å; L190-M197 HydrophobicContact CD1-CG 4.28Å; L190-M197 HydrophobicContact CD1-SD 3.61Å; L190-M197 HydrophobicContact CG-SD 3.81Å; L190-F200 HydrophobicContact CD1-CB 3.91Å; L190-F200 HydrophobicContact CD2-CD2 4.5Å; L190-W293 HydrophobicContact CD2-CH2 3.65Å; L190-W293 HydrophobicContact CD2-CZ3 4.41Å; L190-W293 HydrophobicContact CG-CH2 4.17Å
191	D	97.8	Very high	96.8	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.179	C	C	.	.			trans	-61.5	133.9	166.1	-169.3	-70.6	0	0	0	109.8	F132 I169 G172 F173 Y174 T175 A193 V194	F132-D191 HydrophobicContact CE1-CB 4.27Å; F132-D191 HydrophobicContact CZ-CB 3.88Å; I169-D191 PolarHBondContact O-N 3.04Å; G172-D191 PolarHBondContact N-OD2 3.09Å; F173-D191 PolarHBondContact N-OD2 2.92Å; F173-D191 VanDerWaalsContact N-OD2 3.17Å; Y174-D191 WeakPolarHBondContact CA-OD2 3.49Å; Y174-D191 PolarHBondContact N-OD2 2.88Å; T175-D191 WeakPolarHBondContact CG2-OD1 3.43Å; T175-D191 PolarHBondContact N-OD2 2.65Å; T175-D191 PolarHBondContact OG1-OD1 3.48Å; T175-D191 PolarHBondContact OG1-OD2 2.58Å; T175-D191 VanDerWaalsContact OG1-OD2 3.11Å; D191-A193 PolarHBondContact O-N 2.98Å; D191-A193 VanDerWaalsContact O-N 3.11Å; D191-A193 WeakPolarHBondContact OD1-CB 3.29Å; D191-A193 PolarHBondContact OD1-N 3.08Å; D191-V194 HydrophobicContact CB-CB 4.47Å; D191-V194 VanDerWaalsContact O-CG1 3.23Å; D191-V194 WeakPolarHBondContact O-CG1 3.45Å; D191-V194 PolarHBondContact O-N 2.89Å
192	E	96.6	Very high	97	Very high	111 Å²	111	37.5 Å²	37.5	52%	0.519	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-27.2	-173.6	-61.1	85.7	172.1	0	0	112.4	K171 T175 V194	K171-E192 VanDerWaalsContact CE-OE1 3.24Å; K171-E192 WeakPolarHBondContact CE-OE1 3.49Å; K171-E192 IonicContact NZ-OE1 2.77Å; T175-E192 WeakPolarHBondContact CB-OE2 3.12Å; T175-E192 HydrophobicContact CG2-CB 4.33Å; T175-E192 PolarHBondContact OG1-OE2 3.01Å; E192-V194 VanDerWaalsContact C-N 3.3Å; E192-V194 PolarHBondContact O-N 2.63Å
193	A	96.8	Very high	97.4	Very high	17 Å²	17	37.3 Å²	37.3	14%	0.14	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-17.1	176.8	0	0	0	0	0	113.3	F132 I142 Y174 T175 D191	F132-A193 HydrophobicContact CD1-CB 4.35Å; F132-A193 HydrophobicContact CE1-CB 4.07Å; I142-A193 HydrophobicContact CG2-CB 4.13Å; Y174-A193 HydrophobicContact CD1-CB 3.78Å; Y174-A193 HydrophobicContact CE1-CB 4.38Å; T175-A193 HydrophobicContact CG2-CB 4.05Å; D191-A193 PolarHBondContact O-N 2.98Å; D191-A193 VanDerWaalsContact O-N 3.11Å; D191-A193 WeakPolarHBondContact OD1-CB 3.29Å; D191-A193 PolarHBondContact OD1-N 3.08Å
194	V	97.6	Very high	97.7	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-23.6	-178.2	94.9	0	0	0	0	112.7	V131 F132 L145 I169 L190 D191 E192	V131-V194 HydrophobicContact CB-CG2 4.06Å; V131-V194 HydrophobicContact CG1-CG2 3.63Å; F132-V194 HydrophobicContact CE1-CB 3.77Å; F132-V194 HydrophobicContact CE1-CG2 3.94Å; F132-V194 HydrophobicContact CZ-CB 4.04Å; F132-V194 HydrophobicContact CZ-CG2 4.06Å; L145-V194 WeakPolarHBondContact CB-O 3.49Å; L145-V194 HydrophobicContact CD1-CG1 4.19Å; L145-V194 HydrophobicContact CG-CG1 4.48Å; L145-V194 HydrophobicContact CG-CG2 4.13Å; L145-V194 WeakPolarHBondContact CG-O 3.32Å; L145-V194 PolarHBondContact N-O 2.82Å; I169-V194 HydrophobicContact CB-CG1 4.46Å; I169-V194 HydrophobicContact CB-CG2 4.19Å; I169-V194 HydrophobicContact CG2-CG2 4.08Å; L190-V194 HydrophobicContact CB-CG1 3.77Å; L190-V194 HydrophobicContact CD1-CG1 4.38Å; L190-V194 HydrophobicContact CD2-CG1 3.89Å; L190-V194 HydrophobicContact CG-CG1 4.22Å; D191-V194 HydrophobicContact CB-CB 4.47Å; D191-V194 VanDerWaalsContact O-CG1 3.23Å; D191-V194 WeakPolarHBondContact O-CG1 3.45Å; D191-V194 PolarHBondContact O-N 2.89Å; E192-V194 VanDerWaalsContact C-N 3.3Å; E192-V194 PolarHBondContact O-N 2.63Å
195	G	97.4	Very high	97.9	Very high	25 Å²	25	45 Å²	45	26%	0.258	23%	0.227	S	C	.	.			trans	121.4	-165.2	-179.1	0	0	0	0	0	114.1
196	T	98.2	Very high	98	Very high	76 Å²	76	49.6 Å²	49.6	47%	0.466	24%	0.243	S	C	.	.			trans	-98.6	167.2	-176.5	70.5	0	0	0	0	112.7	L190 D198 D199 F200	L190-T196 VanDerWaalsContact CD1-C 3.48Å; L190-T196 WeakPolarHBondContact CD1-O 3.49Å; T196-D198 PolarHBondContact O-N 3.23Å; T196-D198 PolarHBondContact OG1-N 3.04Å; T196-D199 WeakPolarHBondContact CB-OD2 3.41Å; T196-D199 PolarHBondContact N-OD2 3.39Å; T196-D199 WeakPolarHBondContact O-CB 3.49Å; T196-D199 PolarHBondContact O-N 2.78Å; T196-D199 VanDerWaalsContact O-N 3.15Å; T196-D199 VanDerWaalsContact OG1-CG 3.32Å; T196-D199 PolarHBondContact OG1-N 3.39Å; T196-D199 PolarHBondContact OG1-OD2 3.4Å; T196-F200 PolarHBondContact O-N 3.35Å
197	M	98.1	Very high	98.1	Very high	43 Å²	43	49.2 Å²	49.2	21%	0.212	24%	0.24	C	C	.	.	H	α-helix	trans	-62.2	-25.4	172.3	-75.7	-57.2	-57	0	0	113.2	L190 F200 R201 F292 W293 E296	L190-M197 HydrophobicContact CD1-CG 4.28Å; L190-M197 HydrophobicContact CD1-SD 3.61Å; L190-M197 HydrophobicContact CG-SD 3.81Å; M197-F200 HydrophobicContact CE-CD1 3.97Å; M197-F200 PolarHBondContact O-N 2.9Å; M197-R201 WeakPolarHBondContact O-CG 3.23Å; M197-R201 PolarHBondContact O-N 2.98Å; M197-R201 VanDerWaalsContact O-N 3.08Å; M197-F292 HydrophobicContact CE-CZ 4.34Å; M197-W293 HydrophobicContact CE-CZ3 4.4Å; M197-W293 HydrophobicContact SD-CH2 4.31Å; M197-W293 HydrophobicContact SD-CZ3 4.48Å; M197-E296 VanDerWaalsContact CE-CD 3.48Å; M197-E296 HydrophobicContact CE-CG 3.78Å
198	D	98.3	Very high	98.1	Very high	105 Å²	105	52.2 Å²	52.2	56%	0.561	25%	0.254	S	S	*	.	H	α-helix	trans	-73.6	-39	174.4	-72.4	-21	0	0	0	111.3	T196 F200 R201 V202	T196-D198 PolarHBondContact O-N 3.23Å; T196-D198 PolarHBondContact OG1-N 3.04Å; D198-F200 VanDerWaalsContact C-N 3.29Å; D198-F200 PolarHBondContact O-N 2.92Å; D198-R201 PolarHBondContact O-N 3.41Å; D198-R201 IonicContact OD1-NH1 3.45Å; D198-R201 PolarHBondContact OD1-NH1 3.33Å; D198-V202 WeakPolarHBondContact O-CG2 3.41Å; D198-V202 PolarHBondContact O-N 3.34Å
199	D	98.5	Very high	98.2	Very high	35 Å²	35	58.2 Å²	58.2	19%	0.187	28%	0.28	C	S	.	.	H	α-helix	trans	-59.2	-42.8	170.7	-58.5	-56.3	0	0	0	110.7	L145 N146 T196 R201 V202 F203	L145-D199 HydrophobicContact CB-CB 4.29Å; L145-D199 HydrophobicContact CD1-CB 4.42Å; N146-D199 PolarHBondContact ND2-OD1 2.87Å; N146-D199 PolarHBondContact OD1-OD1 3.17Å; T196-D199 WeakPolarHBondContact CB-OD2 3.41Å; T196-D199 PolarHBondContact N-OD2 3.39Å; T196-D199 WeakPolarHBondContact O-CB 3.49Å; T196-D199 PolarHBondContact O-N 2.78Å; T196-D199 VanDerWaalsContact O-N 3.15Å; T196-D199 VanDerWaalsContact OG1-CG 3.32Å; T196-D199 PolarHBondContact OG1-N 3.39Å; T196-D199 PolarHBondContact OG1-OD2 3.4Å; D199-R201 PolarHBondContact O-N 3.04Å; D199-V202 PolarHBondContact O-N 2.98Å; D199-F203 WeakPolarHBondContact O-CB 3.3Å; D199-F203 PolarHBondContact O-N 3.25Å
200	F	98.7	Very high	98.2	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-60.5	-43.6	176.4	-176.4	-101.1	0	0	0	113.2	L145 I169 L190 T196 M197 D198 F203 L204 L216 W293 E296 I298	L145-F200 HydrophobicContact CD1-CB 3.85Å; L145-F200 HydrophobicContact CD1-CD2 4.11Å; L145-F200 HydrophobicContact CD2-CD2 4.46Å; I169-F200 HydrophobicContact CD1-CD2 4.1Å; I169-F200 HydrophobicContact CD1-CE2 3.79Å; L190-F200 HydrophobicContact CD1-CB 3.91Å; L190-F200 HydrophobicContact CD2-CD2 4.5Å; T196-F200 PolarHBondContact O-N 3.35Å; M197-F200 HydrophobicContact CE-CD1 3.97Å; M197-F200 PolarHBondContact O-N 2.9Å; D198-F200 VanDerWaalsContact C-N 3.29Å; D198-F200 PolarHBondContact O-N 2.92Å; F200-F203 HydrophobicContact CD2-CD1 4.16Å; F200-F203 HydrophobicContact CE2-CD1 4.28Å; F200-F203 HydrophobicContact CE2-CE1 4.38Å; F200-F203 WeakPolarHBondContact O-CB 3.35Å; F200-F203 PolarHBondContact O-N 3.11Å; F200-L204 HydrophobicContact CD1-CD1 3.88Å; F200-L204 HydrophobicContact CD1-CG 4.28Å; F200-L204 HydrophobicContact CE1-CD1 3.29Å; F200-L204 HydrophobicContact CE1-CG 3.86Å; F200-L204 HydrophobicContact CE2-CG 4.48Å; F200-L204 HydrophobicContact CZ-CD1 3.77Å; F200-L204 HydrophobicContact CZ-CD2 4.2Å; F200-L204 HydrophobicContact CZ-CG 3.96Å; F200-L204 WeakPolarHBondContact O-CG 3.43Å; F200-L204 PolarHBondContact O-N 2.58Å; F200-L216 HydrophobicContact CE2-CD1 4.46Å; F200-L216 HydrophobicContact CE2-CD2 4.27Å; F200-L216 HydrophobicContact CZ-CD1 4.18Å; F200-W293 HydrophobicContact CD1-CZ3 4.07Å; F200-W293 HydrophobicContact CD2-CZ3 4.38Å; F200-W293 AromaticContact CE1-CE3 3.9Å; F200-W293 HydrophobicContact CE1-CE3 3.9Å; F200-W293 AromaticContact CE1-CZ3 3.6Å; F200-W293 HydrophobicContact CE1-CZ3 3.6Å; F200-W293 AromaticContact CE2-CZ3 3.96Å; F200-W293 HydrophobicContact CE2-CZ3 3.96Å; F200-W293 HydrophobicContact CG-CZ3 4.44Å; F200-W293 AromaticContact CZ-CE3 3.81Å; F200-W293 HydrophobicContact CZ-CE3 3.81Å; F200-W293 AromaticContact CZ-CZ3 3.54Å; F200-W293 HydrophobicContact CZ-CZ3 3.54Å; F200-E296 HydrophobicContact CE1-CB 4.05Å; F200-I298 HydrophobicContact CE1-CG2 4.42Å; F200-I298 HydrophobicContact CZ-CG2 3.83Å
201	R	98.7	Very high	98.1	Very high	109 Å²	109	60.1 Å²	60.1	41%	0.411	30%	0.299	S	S	.	.	H	α-helix	trans	-66.8	-37.3	176.5	-70.5	169.5	-170.5	134.8	1.9	112.1	M197 D198 D199 K205 E296	M197-R201 WeakPolarHBondContact O-CG 3.23Å; M197-R201 PolarHBondContact O-N 2.98Å; M197-R201 VanDerWaalsContact O-N 3.08Å; D198-R201 PolarHBondContact O-N 3.41Å; D198-R201 IonicContact OD1-NH1 3.45Å; D198-R201 PolarHBondContact OD1-NH1 3.33Å; D199-R201 PolarHBondContact O-N 3.04Å; R201-K205 VanDerWaalsContact O-CB 3.3Å; R201-K205 WeakPolarHBondContact O-CB 3.3Å; R201-K205 PolarHBondContact O-N 3.47Å; R201-E296 IonicContact CZ-OE1 3.55Å; R201-E296 IonicContact CZ-OE2 2.93Å; R201-E296 IonicContact NE-OE1 2.63Å; R201-E296 IonicContact NE-OE2 3.74Å; R201-E296 PolarHBondContact NE-OE2 2.91Å; R201-E296 IonicContact NH2-OE1 2.7Å; R201-E296 PolarHBondContact NH2-OE1 2.92Å; R201-E296 IonicContact NH2-OE2 2.79Å; R201-E296 PolarHBondContact NH2-OE2 3.21Å
202	V	98.6	Very high	98.1	Very high	56 Å²	56	60.1 Å²	60.1	34%	0.339	30%	0.299	S	S	.	.	H	α-helix	trans	-64.1	-47.5	173.7	171.7	0	0	0	0	110.4	D198 D199 K205 R206	D198-V202 WeakPolarHBondContact O-CG2 3.41Å; D198-V202 PolarHBondContact O-N 3.34Å; D199-V202 PolarHBondContact O-N 2.98Å; V202-K205 PolarHBondContact O-N 3.43Å; V202-R206 HydrophobicContact CG1-CG 4.44Å; V202-R206 WeakPolarHBondContact O-CG 3.35Å; V202-R206 PolarHBondContact O-N 3.01Å
203	F	98.8	Very high	98.2	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-53.3	-56.6	175	158.8	-105.7	0	0	0	111.5	L145 L148 T149 V164 L166 D199 F200 K205 R206 F207 V214	L145-F203 HydrophobicContact CD2-CB 4.49Å; L145-F203 HydrophobicContact CD2-CD1 4.1Å; L145-F203 HydrophobicContact CD2-CG 4.13Å; L148-F203 HydrophobicContact CD2-CD2 4.09Å; L148-F203 HydrophobicContact CD2-CE2 3.47Å; L148-F203 VanDerWaalsContact CD2-CE2 3.47Å; L148-F203 HydrophobicContact CD2-CZ 4Å; L148-F203 HydrophobicContact CG-CD2 4.3Å; L148-F203 HydrophobicContact CG-CE2 3.89Å; T149-F203 WeakPolarHBondContact OG1-CA 3.33Å; T149-F203 VanDerWaalsContact OG1-CB 3.31Å; T149-F203 WeakPolarHBondContact OG1-CB 3.39Å; V164-F203 HydrophobicContact CG2-CZ 4.45Å; L166-F203 HydrophobicContact CD1-CE1 3.77Å; L166-F203 HydrophobicContact CD1-CZ 3.75Å; L166-F203 HydrophobicContact CD2-CZ 4.22Å; L166-F203 HydrophobicContact CG-CZ 4.41Å; D199-F203 WeakPolarHBondContact O-CB 3.3Å; D199-F203 PolarHBondContact O-N 3.25Å; F200-F203 HydrophobicContact CD2-CD1 4.16Å; F200-F203 HydrophobicContact CE2-CD1 4.28Å; F200-F203 HydrophobicContact CE2-CE1 4.38Å; F200-F203 WeakPolarHBondContact O-CB 3.35Å; F200-F203 PolarHBondContact O-N 3.11Å; F203-K205 VanDerWaalsContact C-N 3.33Å; F203-K205 PolarHBondContact O-N 3.49Å; F203-R206 PolarHBondContact O-N 2.67Å; F203-R206 VanDerWaalsContact O-N 3.15Å; F203-F207 AromaticContact CD2-CD2 3.55Å; F203-F207 HydrophobicContact CD2-CD2 3.55Å; F203-F207 AromaticContact CD2-CE2 3.54Å; F203-F207 HydrophobicContact CD2-CE2 3.54Å; F203-F207 HydrophobicContact CD2-CG 4.17Å; F203-F207 HydrophobicContact CD2-CZ 4.13Å; F203-F207 AromaticContact CE2-CD1 3.8Å; F203-F207 HydrophobicContact CE2-CD1 3.8Å; F203-F207 AromaticContact CE2-CD2 3.46Å; F203-F207 HydrophobicContact CE2-CD2 3.46Å; F203-F207 VanDerWaalsContact CE2-CD2 3.46Å; F203-F207 AromaticContact CE2-CE1 3.68Å; F203-F207 HydrophobicContact CE2-CE1 3.68Å; F203-F207 AromaticContact CE2-CE2 3.34Å; F203-F207 HydrophobicContact CE2-CE2 3.34Å; F203-F207 AromaticContact CE2-CG 3.72Å; F203-F207 HydrophobicContact CE2-CG 3.72Å; F203-F207 AromaticContact CE2-CZ 3.47Å; F203-F207 HydrophobicContact CE2-CZ 3.47Å; F203-F207 VanDerWaalsContact CE2-CZ 3.47Å; F203-F207 HydrophobicContact CZ-CD1 4.13Å; F203-F207 HydrophobicContact CZ-CD2 4.38Å; F203-F207 HydrophobicContact CZ-CE1 4.24Å; F203-F207 HydrophobicContact CZ-CE2 4.49Å; F203-F207 HydrophobicContact CZ-CG 4.22Å; F203-F207 HydrophobicContact CZ-CZ 4.43Å; F203-F207 WeakPolarHBondContact O-CD2 3.39Å; F203-F207 PolarHBondContact O-N 2.82Å; F203-V214 HydrophobicContact CE1-CB 4.44Å; F203-V214 HydrophobicContact CE1-CG1 3.64Å; F203-V214 HydrophobicContact CE1-CG2 3.97Å; F203-V214 HydrophobicContact CZ-CG1 3.93Å; F203-V214 HydrophobicContact CZ-CG2 3.83Å
204	L	98.7	Very high	98.3	Very high	6 Å²	6	57 Å²	57	3%	0.031	28%	0.281	C	S	.	.	H	α-helix	trans	-54.3	-49.3	178.6	-79.1	-176.8	0	0	0	111.4	F200 R206 F207 H208 V214 E296	F200-L204 HydrophobicContact CD1-CD1 3.88Å; F200-L204 HydrophobicContact CD1-CG 4.28Å; F200-L204 HydrophobicContact CE1-CD1 3.29Å; F200-L204 HydrophobicContact CE1-CG 3.86Å; F200-L204 HydrophobicContact CE2-CG 4.48Å; F200-L204 HydrophobicContact CZ-CD1 3.77Å; F200-L204 HydrophobicContact CZ-CD2 4.2Å; F200-L204 HydrophobicContact CZ-CG 3.96Å; F200-L204 WeakPolarHBondContact O-CG 3.43Å; F200-L204 PolarHBondContact O-N 2.58Å; L204-R206 PolarHBondContact O-N 3.28Å; L204-F207 PolarHBondContact O-N 3.08Å; L204-H208 WeakPolarHBondContact O-CB 3.42Å; L204-H208 VanDerWaalsContact O-CG 3.26Å; L204-H208 PolarHBondContact O-N 3.37Å; L204-V214 HydrophobicContact CD2-CB 3.66Å; L204-V214 HydrophobicContact CD2-CG1 3.74Å; L204-V214 HydrophobicContact CD2-CG2 3.79Å; L204-E296 VanDerWaalsContact CD1-O 3.3Å; L204-E296 WeakPolarHBondContact CD1-O 3.25Å
205	K	98.6	Very high	98.4	Very high	162 Å²	162	57 Å²	57	70%	0.704	28%	0.281	S	S	*	.	H	α-helix	trans	-60.2	-42.3	-179.7	-177	178.3	179.6	178.7	0	112.2	R201 V202 F203 K209	R201-K205 VanDerWaalsContact O-CB 3.3Å; R201-K205 WeakPolarHBondContact O-CB 3.3Å; R201-K205 PolarHBondContact O-N 3.47Å; V202-K205 PolarHBondContact O-N 3.43Å; F203-K205 VanDerWaalsContact C-N 3.33Å; F203-K205 PolarHBondContact O-N 3.49Å; K205-K209 VanDerWaalsContact O-CB 3.25Å; K205-K209 WeakPolarHBondContact O-CB 3.39Å; K205-K209 PolarHBondContact O-N 3.21Å
206	R	98.6	Very high	98.5	Very high	131 Å²	131	56 Å²	56	49%	0.494	27%	0.269	S	S	.	.	H	α-helix	trans	-69.9	-41.6	179.8	-68.5	-155.5	-162	160.1	-2.3	111.8	T149 V202 F203 L204 K209 K210	T149-R206 HydrophobicContact CG2-CB 4.09Å; T149-R206 VanDerWaalsContact CG2-CD 3.43Å; T149-R206 HydrophobicContact CG2-CG 4.07Å; V202-R206 HydrophobicContact CG1-CG 4.44Å; V202-R206 WeakPolarHBondContact O-CG 3.35Å; V202-R206 PolarHBondContact O-N 3.01Å; F203-R206 PolarHBondContact O-N 2.67Å; F203-R206 VanDerWaalsContact O-N 3.15Å; L204-R206 PolarHBondContact O-N 3.28Å; R206-K209 PolarHBondContact O-N 2.93Å; R206-K210 WeakPolarHBondContact O-CG 3.42Å; R206-K210 PolarHBondContact O-N 2.92Å
207	F	98.7	Very high	98.5	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-63.6	-49.2	176.6	-88.6	-120.8	0	0	0	111.4	L148 V152 I155 V164 F203 L204 K209 K210 G211 V212 V214	L148-F207 HydrophobicContact CD1-CZ 4.12Å; L148-F207 HydrophobicContact CG-CZ 4.08Å; V152-F207 HydrophobicContact CB-CD2 4.12Å; V152-F207 HydrophobicContact CB-CE2 3.66Å; V152-F207 HydrophobicContact CB-CZ 4.09Å; V152-F207 HydrophobicContact CG2-CD1 4.42Å; V152-F207 HydrophobicContact CG2-CD2 3.77Å; V152-F207 HydrophobicContact CG2-CE1 4.4Å; V152-F207 HydrophobicContact CG2-CE2 3.73Å; V152-F207 HydrophobicContact CG2-CG 4.11Å; V152-F207 HydrophobicContact CG2-CZ 4.06Å; I155-F207 HydrophobicContact CD1-CE1 4.09Å; I155-F207 HydrophobicContact CD1-CZ 3.83Å; V164-F207 HydrophobicContact CB-CE1 4.44Å; V164-F207 HydrophobicContact CG1-CD1 4.43Å; V164-F207 HydrophobicContact CG1-CE1 3.81Å; V164-F207 HydrophobicContact CG2-CD1 3.85Å; V164-F207 HydrophobicContact CG2-CE1 3.76Å; F203-F207 AromaticContact CD2-CD2 3.55Å; F203-F207 HydrophobicContact CD2-CD2 3.55Å; F203-F207 AromaticContact CD2-CE2 3.54Å; F203-F207 HydrophobicContact CD2-CE2 3.54Å; F203-F207 HydrophobicContact CD2-CG 4.17Å; F203-F207 HydrophobicContact CD2-CZ 4.13Å; F203-F207 AromaticContact CE2-CD1 3.8Å; F203-F207 HydrophobicContact CE2-CD1 3.8Å; F203-F207 AromaticContact CE2-CD2 3.46Å; F203-F207 HydrophobicContact CE2-CD2 3.46Å; F203-F207 VanDerWaalsContact CE2-CD2 3.46Å; F203-F207 AromaticContact CE2-CE1 3.68Å; F203-F207 HydrophobicContact CE2-CE1 3.68Å; F203-F207 AromaticContact CE2-CE2 3.34Å; F203-F207 HydrophobicContact CE2-CE2 3.34Å; F203-F207 AromaticContact CE2-CG 3.72Å; F203-F207 HydrophobicContact CE2-CG 3.72Å; F203-F207 AromaticContact CE2-CZ 3.47Å; F203-F207 HydrophobicContact CE2-CZ 3.47Å; F203-F207 VanDerWaalsContact CE2-CZ 3.47Å; F203-F207 HydrophobicContact CZ-CD1 4.13Å; F203-F207 HydrophobicContact CZ-CD2 4.38Å; F203-F207 HydrophobicContact CZ-CE1 4.24Å; F203-F207 HydrophobicContact CZ-CE2 4.49Å; F203-F207 HydrophobicContact CZ-CG 4.22Å; F203-F207 HydrophobicContact CZ-CZ 4.43Å; F203-F207 WeakPolarHBondContact O-CD2 3.39Å; F203-F207 PolarHBondContact O-N 2.82Å; L204-F207 PolarHBondContact O-N 3.08Å; F207-K209 VanDerWaalsContact C-N 3.32Å; F207-K209 PolarHBondContact O-N 3.23Å; F207-K210 CarbonylContact O-C 3.6Å; F207-K210 PolarHBondContact O-N 3.15Å; F207-G211 PolarHBondContact O-N 3.37Å; F207-V212 CarbonylContact C-O 3.58Å; F207-V212 VanDerWaalsContact C-O 3.3Å; F207-V212 HydrophobicContact CB-CB 4.29Å; F207-V212 HydrophobicContact CD1-CB 3.94Å; F207-V212 HydrophobicContact CD1-CG1 3.58Å; F207-V212 HydrophobicContact CE1-CG1 4.1Å; F207-V212 HydrophobicContact CG-CB 4.45Å; F207-V212 PolarHBondContact O-N 3Å; F207-V214 HydrophobicContact CB-CG2 3.94Å; F207-V214 HydrophobicContact CD1-CG2 4.07Å; F207-V214 HydrophobicContact CG-CG2 4.28Å
208	H	98.5	Very high	98.5	Very high	64 Å²	64	50.6 Å²	50.6	30%	0.296	24%	0.238	S	C	.	.	H	α-helix	trans	-60.6	-39.6	176.1	-69.8	173.1	0	0	0	112.5	L204 K210 G211 V212 G297 D299	L204-H208 WeakPolarHBondContact O-CB 3.42Å; L204-H208 VanDerWaalsContact O-CG 3.26Å; L204-H208 PolarHBondContact O-N 3.37Å; H208-K210 PolarHBondContact O-N 3.26Å; H208-G211 PolarHBondContact O-N 3.43Å; H208-V212 PolarHBondContact CD2-O 3.44Å; H208-G297 PolarHBondContact CE1-O 3.29Å; H208-D299 IonicContact CD2-OD2 2.78Å; H208-D299 IonicContact CE1-OD2 3.94Å; H208-D299 IonicContact NE2-OD1 3.99Å; H208-D299 IonicContact NE2-OD2 2.8Å; H208-D299 PolarHBondContact NE2-OD2 3Å
209	K	98.2	Very high	98.4	Very high	189 Å²	189	46 Å²	46	82%	0.822	21%	0.214	S	C	*	.	H	α-helix	trans	-60.8	-31.8	175.5	-176.3	179	178.7	-176.4	0	112.5	K205 R206 F207 G211	K205-K209 VanDerWaalsContact O-CB 3.25Å; K205-K209 WeakPolarHBondContact O-CB 3.39Å; K205-K209 PolarHBondContact O-N 3.21Å; R206-K209 PolarHBondContact O-N 2.93Å; F207-K209 VanDerWaalsContact C-N 3.32Å; F207-K209 PolarHBondContact O-N 3.23Å; K209-G211 VanDerWaalsContact C-N 3.3Å
210	K	97.9	Very high	98.3	Very high	90 Å²	90	44.3 Å²	44.3	39%	0.391	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.3	2.7	175.7	-66.6	-78.7	-175.3	161.4	0	113.1	V152 D153 R206 F207 H208 V212	V152-K210 HydrophobicContact CG1-CG 4.23Å; V152-K210 HydrophobicContact CG2-CB 4.01Å; V152-K210 HydrophobicContact CG2-CG 3.95Å; D153-K210 WeakPolarHBondContact OD1-CE 3.43Å; D153-K210 IonicContact OD1-NZ 2.76Å; D153-K210 PolarHBondContact OD1-NZ 2.81Å; D153-K210 IonicContact OD2-NZ 2.75Å; D153-K210 PolarHBondContact OD2-NZ 3.44Å; R206-K210 WeakPolarHBondContact O-CG 3.42Å; R206-K210 PolarHBondContact O-N 2.92Å; F207-K210 CarbonylContact O-C 3.6Å; F207-K210 PolarHBondContact O-N 3.15Å; H208-K210 PolarHBondContact O-N 3.26Å; K210-V212 VanDerWaalsContact C-N 3.34Å; K210-V212 HydrophobicContact CB-CG2 4.39Å
211	G	97.1	Very high	98.1	Very high	44 Å²	44	44.3 Å²	44.3	45%	0.454	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.3	28	-178.2	0	0	0	0	0	113.5	F207 H208 K209	F207-G211 PolarHBondContact O-N 3.37Å; H208-G211 PolarHBondContact O-N 3.43Å; K209-G211 VanDerWaalsContact C-N 3.3Å
212	V	98.5	Very high	97.9	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	19%	0.186	C	C	.	.			trans	-102.7	124.2	174.5	-175.8	0	0	0	0	108.8	V152 K156 G162 V164 F207 H208 K210	V152-V212 HydrophobicContact CG2-CG2 4.49Å; K156-V212 HydrophobicContact CB-CG2 4.23Å; K156-V212 HydrophobicContact CD-CG2 3.96Å; K156-V212 HydrophobicContact CG-CG2 4.46Å; G162-V212 WeakPolarHBondContact O-CA 3.33Å; V164-V212 HydrophobicContact CG1-CG1 4.02Å; V164-V212 HydrophobicContact CG2-CG1 4.46Å; F207-V212 CarbonylContact C-O 3.58Å; F207-V212 VanDerWaalsContact C-O 3.3Å; F207-V212 HydrophobicContact CB-CB 4.29Å; F207-V212 HydrophobicContact CD1-CB 3.94Å; F207-V212 HydrophobicContact CD1-CG1 3.58Å; F207-V212 HydrophobicContact CE1-CG1 4.1Å; F207-V212 HydrophobicContact CG-CB 4.45Å; F207-V212 PolarHBondContact O-N 3Å; H208-V212 PolarHBondContact CD2-O 3.44Å; K210-V212 VanDerWaalsContact C-N 3.34Å; K210-V212 HydrophobicContact CB-CG2 4.39Å
213	K	98.7	Very high	97.8	Very high	63 Å²	63	36.5 Å²	36.5	27%	0.274	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	153.4	175.7	-54.5	-46.8	-146.7	142.8	0	111.9	F120 G162 Y163 V164 I215 D299	F120-K213 HydrophobicContact CB-CG 4.25Å; F120-K213 HydrophobicContact CD1-CG 3.97Å; F120-K213 HydrophobicContact CD2-CB 3.96Å; F120-K213 HydrophobicContact CD2-CG 3.69Å; F120-K213 HydrophobicContact CE1-CB 4.44Å; F120-K213 HydrophobicContact CE1-CG 4.17Å; F120-K213 HydrophobicContact CE2-CB 3.76Å; F120-K213 HydrophobicContact CE2-CG 3.97Å; F120-K213 HydrophobicContact CG-CB 4.43Å; F120-K213 HydrophobicContact CG-CG 3.71Å; F120-K213 HydrophobicContact CZ-CB 4Å; F120-K213 HydrophobicContact CZ-CG 4.18Å; G162-K213 PolarHBondContact O-N 3.39Å; Y163-K213 CarbonylContact C-O 3.46Å; Y163-K213 VanDerWaalsContact CA-O 3.23Å; Y163-K213 WeakPolarHBondContact CA-O 3.3Å; V164-K213 PolarHBondContact N-O 3.07Å; K213-I215 HydrophobicContact CB-CD1 4.3Å; K213-D299 WeakPolarHBondContact CA-OD2 3.34Å; K213-D299 HydrophobicContact CB-CB 3.8Å; K213-D299 HydrophobicContact CD-CB 4.47Å; K213-D299 WeakPolarHBondContact CD-OD1 3.26Å; K213-D299 HydrophobicContact CG-CB 4.41Å; K213-D299 IonicContact NZ-OD1 3.7Å; K213-D299 PolarHBondContact NZ-OD1 3.39Å
214	V	98.8	Very high	97.7	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	121.7	-175.7	177.6	0	0	0	0	111	V164 L166 F203 L204 F207 L216 D299	V164-V214 HydrophobicContact CG2-CB 4.47Å; V164-V214 HydrophobicContact CG2-CG2 4.04Å; L166-V214 HydrophobicContact CD1-CG1 4.33Å; L166-V214 HydrophobicContact CG-CG1 4.48Å; F203-V214 HydrophobicContact CE1-CB 4.44Å; F203-V214 HydrophobicContact CE1-CG1 3.64Å; F203-V214 HydrophobicContact CE1-CG2 3.97Å; F203-V214 HydrophobicContact CZ-CG1 3.93Å; F203-V214 HydrophobicContact CZ-CG2 3.83Å; L204-V214 HydrophobicContact CD2-CB 3.66Å; L204-V214 HydrophobicContact CD2-CG1 3.74Å; L204-V214 HydrophobicContact CD2-CG2 3.79Å; F207-V214 HydrophobicContact CB-CG2 3.94Å; F207-V214 HydrophobicContact CD1-CG2 4.07Å; F207-V214 HydrophobicContact CG-CG2 4.28Å; V214-L216 HydrophobicContact CG1-CD2 4.29Å; V214-D299 PolarHBondContact N-OD2 3.11Å; V214-D299 PolarHBondContact O-N 3.07Å
215	I	98.8	Very high	97.5	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	134.9	178.7	-63.7	62.2	0	0	0	107.7	F120 Y163 V164 I165 L166 K213 G300 L302 L361	F120-I215 HydrophobicContact CE2-CD1 3.92Å; F120-I215 HydrophobicContact CZ-CD1 4.03Å; Y163-I215 HydrophobicContact CD2-CD1 3.73Å; Y163-I215 HydrophobicContact CD2-CG1 4.4Å; Y163-I215 HydrophobicContact CG-CD1 4.18Å; V164-I215 WeakPolarHBondContact O-CB 3.49Å; V164-I215 WeakPolarHBondContact O-CD1 3.42Å; V164-I215 PolarHBondContact O-N 3.14Å; I165-I215 HydrophobicContact CG1-CB 4.13Å; I165-I215 HydrophobicContact CG1-CG2 4.24Å; I165-I215 HydrophobicContact CG2-CG2 4.32Å; L166-I215 PolarHBondContact N-O 3.26Å; K213-I215 HydrophobicContact CB-CD1 4.3Å; I215-G300 WeakPolarHBondContact CA-O 3.32Å; I215-L302 HydrophobicContact CG2-CB 4.22Å; I215-L361 HydrophobicContact CG1-CD2 3.8Å
216	L	98.8	Very high	97.3	Very high	2 Å²	2	33.5 Å²	33.5	1%	0.01	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	140	176	-61.4	-170.6	0	0	0	111.8	L166 I169 F200 V214 F218 W293 I298 G300 I301 L302	L166-L216 HydrophobicContact CB-CD2 4.16Å; L166-L216 HydrophobicContact CD1-CD2 3.81Å; L166-L216 HydrophobicContact CG-CD2 4.2Å; I169-L216 HydrophobicContact CD1-CD1 4.34Å; I169-L216 HydrophobicContact CD1-CD2 3.78Å; I169-L216 HydrophobicContact CG1-CD2 4.47Å; F200-L216 HydrophobicContact CE2-CD1 4.46Å; F200-L216 HydrophobicContact CE2-CD2 4.27Å; F200-L216 HydrophobicContact CZ-CD1 4.18Å; V214-L216 HydrophobicContact CG1-CD2 4.29Å; L216-F218 HydrophobicContact CB-CE2 3.72Å; L216-F218 HydrophobicContact CB-CZ 3.95Å; L216-F218 HydrophobicContact CD1-CZ 4.06Å; L216-W293 HydrophobicContact CD1-CB 4.39Å; L216-W293 HydrophobicContact CD1-CD2 3.59Å; L216-W293 HydrophobicContact CD1-CE3 3.41Å; L216-W293 VanDerWaalsContact CD1-CE3 3.41Å; L216-W293 HydrophobicContact CD1-CG 4.05Å; L216-W293 HydrophobicContact CD1-CZ3 3.91Å; L216-I298 HydrophobicContact CB-CD1 4.43Å; L216-I298 HydrophobicContact CD1-CD1 4.24Å; L216-I298 HydrophobicContact CD1-CG2 3.8Å; L216-I298 HydrophobicContact CG-CD1 4.23Å; L216-I298 HydrophobicContact CG-CG2 3.9Å; L216-G300 PolarHBondContact N-O 3.02Å; L216-I301 CarbonylContact O-C 3.59Å; L216-I301 VanDerWaalsContact O-CA 3.24Å; L216-I301 WeakPolarHBondContact O-CA 3.34Å; L216-L302 PolarHBondContact O-N 3.23Å
217	T	98.6	Very high	97.2	Very high	3 Å²	3	27.2 Å²	27.2	2%	0.018	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	131.5	174.6	-60.5	0	0	0	0	111.2	L166 P168 L302 D304	L166-T217 WeakPolarHBondContact O-CB 3.31Å; L166-T217 PolarHBondContact O-N 2.91Å; L166-T217 VanDerWaalsContact O-N 3.09Å; L166-T217 PolarHBondContact O-OG1 3.05Å; P168-T217 HydrophobicContact CG-CG2 4.14Å; T217-L302 CarbonylContact C-O 3.56Å; T217-L302 WeakPolarHBondContact CA-O 3.45Å; T217-L302 HydrophobicContact CG2-CD2 3.66Å; T217-D304 HydrophobicContact CG2-CB 3.63Å
218	F	98.1	Very high	97.1	Very high	3 Å²	3	30.4 Å²	30.4	1%	0.013	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	125.7	172.6	-63	-75.6	0	0	0	110.4	T170 Y187 L216 F220 V289 W293 I301 L302 L303 D304	T170-F218 HydrophobicContact CG2-CE1 3.92Å; Y187-F218 AromaticContact CD1-CD1 3.92Å; Y187-F218 HydrophobicContact CD1-CD1 3.92Å; L216-F218 HydrophobicContact CB-CE2 3.72Å; L216-F218 HydrophobicContact CB-CZ 3.95Å; L216-F218 HydrophobicContact CD1-CZ 4.06Å; F218-F220 HydrophobicContact CB-CD1 4.46Å; F218-F220 HydrophobicContact CB-CD2 4.07Å; F218-F220 HydrophobicContact CB-CE1 3.99Å; F218-F220 HydrophobicContact CB-CE2 3.55Å; F218-F220 HydrophobicContact CB-CG 4.49Å; F218-F220 HydrophobicContact CB-CZ 3.5Å; F218-F220 HydrophobicContact CD1-CE1 4.33Å; F218-F220 HydrophobicContact CD1-CZ 4.07Å; F218-F220 HydrophobicContact CD2-CE2 4.46Å; F218-F220 HydrophobicContact CD2-CZ 4.21Å; F218-F220 HydrophobicContact CG-CE1 4.28Å; F218-F220 HydrophobicContact CG-CE2 4.09Å; F218-F220 AromaticContact CG-CZ 3.67Å; F218-F220 HydrophobicContact CG-CZ 3.67Å; F218-V289 HydrophobicContact CD1-CG1 4.39Å; F218-V289 HydrophobicContact CE1-CG1 4.03Å; F218-V289 HydrophobicContact CZ-CG1 4.36Å; F218-W293 AromaticContact CE1-CD1 3.83Å; F218-W293 AromaticContact CE1-NE1 3.61Å; F218-W293 AromaticContact CZ-CD1 3.29Å; F218-W293 HydrophobicContact CZ-CD2 4.3Å; F218-W293 AromaticContact CZ-CG 3.82Å; F218-W293 HydrophobicContact CZ-CG 3.82Å; F218-W293 AromaticContact CZ-NE1 3.49Å; F218-I301 HydrophobicContact CD2-CB 4.15Å; F218-I301 HydrophobicContact CD2-CG2 4Å; F218-I301 HydrophobicContact CE2-CB 4.37Å; F218-I301 HydrophobicContact CE2-CG2 3.74Å; F218-L302 PolarHBondContact N-O 3.48Å; F218-L303 WeakPolarHBondContact O-CA 3.43Å; F218-D304 PolarHBondContact O-N 2.88Å
219	N	95.8	Very high	97	Very high	8 Å²	8	27.7 Å²	27.7	4%	0.043	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	102.5	164.2	172.4	12.7	0	0	0	107.9	Y187 N221 D304 N305	Y187-N219 PolarHBondContact OH-O 3.16Å; N219-N221 VanDerWaalsContact OD1-CB 3.31Å; N219-N221 WeakPolarHBondContact OD1-CB 3.31Å; N219-N221 PolarHBondContact OD1-N 3Å; N219-D304 HydrophobicContact CB-CB 4.41Å; N219-N305 VanDerWaalsContact CG-ND2 3.31Å; N219-N305 PolarHBondContact ND2-ND2 3.3Å
220	F	96.8	Very high	96.9	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.108	C	C	.	.			trans	-92.8	4	174.8	-64.8	-55.6	0	0	0	113.2	Y187 F218 L275 L277 I286 V289 L303 F341	Y187-F220 HydrophobicContact CD1-CD1 4.49Å; Y187-F220 HydrophobicContact CD1-CE1 4.07Å; Y187-F220 HydrophobicContact CD2-CE1 4.41Å; Y187-F220 HydrophobicContact CE1-CD1 4.06Å; Y187-F220 HydrophobicContact CE1-CE1 4.08Å; Y187-F220 HydrophobicContact CE2-CD1 4.2Å; Y187-F220 HydrophobicContact CE2-CE1 4.43Å; Y187-F220 HydrophobicContact CG-CE1 4.22Å; Y187-F220 AromaticContact CZ-CD1 3.9Å; F218-F220 HydrophobicContact CB-CD1 4.46Å; F218-F220 HydrophobicContact CB-CD2 4.07Å; F218-F220 HydrophobicContact CB-CE1 3.99Å; F218-F220 HydrophobicContact CB-CE2 3.55Å; F218-F220 HydrophobicContact CB-CG 4.49Å; F218-F220 HydrophobicContact CB-CZ 3.5Å; F218-F220 HydrophobicContact CD1-CE1 4.33Å; F218-F220 HydrophobicContact CD1-CZ 4.07Å; F218-F220 HydrophobicContact CD2-CE2 4.46Å; F218-F220 HydrophobicContact CD2-CZ 4.21Å; F218-F220 HydrophobicContact CG-CE1 4.28Å; F218-F220 HydrophobicContact CG-CE2 4.09Å; F218-F220 AromaticContact CG-CZ 3.67Å; F218-F220 HydrophobicContact CG-CZ 3.67Å; F220-L275 WeakPolarHBondContact O-CD1 3.35Å; F220-L277 WeakPolarHBondContact O-CD2 3.13Å; F220-I286 HydrophobicContact CB-CD1 4Å; F220-I286 HydrophobicContact CD1-CD1 4.34Å; F220-I286 HydrophobicContact CD1-CG1 3.95Å; F220-I286 HydrophobicContact CD1-CG2 4.31Å; F220-I286 HydrophobicContact CD2-CG2 3.84Å; F220-I286 HydrophobicContact CE1-CG1 4.33Å; F220-I286 HydrophobicContact CE1-CG2 4.21Å; F220-I286 HydrophobicContact CE2-CG2 3.74Å; F220-I286 HydrophobicContact CG-CD1 4.13Å; F220-I286 HydrophobicContact CG-CG1 4.17Å; F220-I286 HydrophobicContact CG-CG2 4.15Å; F220-I286 HydrophobicContact CZ-CG2 3.93Å; F220-V289 HydrophobicContact CE1-CG1 4.2Å; F220-V289 HydrophobicContact CZ-CB 4.49Å; F220-V289 HydrophobicContact CZ-CG1 4.08Å; F220-L303 HydrophobicContact CD2-CD2 3.81Å; F220-L303 HydrophobicContact CE2-CD2 3.76Å; F220-F341 HydrophobicContact CB-CZ 4.28Å; F220-F341 HydrophobicContact CD2-CZ 4.36Å
221	N	95.3	Very high	96.7	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.122	C	C	.	.	S	Bend	trans	-71.1	-59.3	177.5	-171.8	69.1	0	0	0	111	N219 V267 D274 L275 N305 F308 F309	N219-N221 VanDerWaalsContact OD1-CB 3.31Å; N219-N221 WeakPolarHBondContact OD1-CB 3.31Å; N219-N221 PolarHBondContact OD1-N 3Å; N221-V267 WeakPolarHBondContact ND2-CG1 3.48Å; N221-D274 PolarHBondContact ND2-OD1 3.19Å; N221-D274 PolarHBondContact ND2-OD2 3.3Å; N221-D274 WeakPolarHBondContact O-CA 3.3Å; N221-L275 PolarHBondContact O-N 3.25Å; N221-N305 HydrophobicContact CB-CB 4.35Å; N221-F308 HydrophobicContact CB-CB 4.4Å; N221-F308 PolarHBondContact OD1-O 2.95Å; N221-F309 HydrophobicContact CB-CD1 4.1Å; N221-F309 HydrophobicContact CB-CE1 4.41Å; N221-F309 WeakPolarHBondContact OD1-CA 3.23Å; N221-F309 PolarHBondContact OD1-N 3.21Å
222	A	94	Very high	96.6	Very high	1 Å²	1	25 Å²	25	1%	0.008	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	139.3	-171.5	0	0	0	0	0	111.4	F268 N272 V273 D274	A222-F268 HydrophobicContact CB-CD2 3.76Å; A222-F268 HydrophobicContact CB-CE2 4.07Å; A222-N272 HydrophobicContact CB-CB 4.15Å; A222-V273 WeakPolarHBondContact CA-O 3.16Å; A222-D274 WeakPolarHBondContact CB-OD1 3.5Å
223	I	96.2	Very high	96.4	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	162.4	176	53.5	169.2	0	0	0	110.8	Y187 H227 I230 V235 L237 N272 V273 L275	Y187-I223 HydrophobicContact CE2-CG2 3.68Å; Y187-I223 WeakPolarHBondContact OH-CG2 3.3Å; I223-H227 HydrophobicContact CB-CB 3.97Å; I223-H227 HydrophobicContact CD1-CB 3.91Å; I223-H227 HydrophobicContact CG1-CB 4.34Å; I223-I230 HydrophobicContact CD1-CD1 3.83Å; I223-I230 HydrophobicContact CD1-CG1 3.83Å; I223-I230 HydrophobicContact CG1-CD1 4.41Å; I223-V235 HydrophobicContact CD1-CG2 4.45Å; I223-L237 HydrophobicContact CD1-CD2 4.16Å; I223-N272 CarbonylContact O-C 3.56Å; I223-N272 WeakPolarHBondContact O-CA 3.12Å; I223-V273 HydrophobicContact CG1-CG1 3.95Å; I223-V273 PolarHBondContact N-O 3.13Å; I223-V273 PolarHBondContact O-N 3.11Å; I223-L275 HydrophobicContact CD1-CD2 3.53Å; I223-L275 HydrophobicContact CD1-CG 4.24Å; I223-L275 HydrophobicContact CG1-CD2 4.03Å; I223-L275 HydrophobicContact CG1-CG 4.23Å; I223-L275 HydrophobicContact CG2-CD1 4.09Å; I223-L275 HydrophobicContact CG2-CG 4.32Å
224	S	96.1	Very high	96.3	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	143.7	168.4	-179	0	0	0	0	110.5	V184 N226 H227 I230	V184-S224 WeakPolarHBondContact O-CB 3.35Å; V184-S224 PolarHBondContact O-N 2.82Å; S224-N226 PolarHBondContact O-N 3.19Å; S224-N226 VanDerWaalsContact O-N 3.12Å; S224-N226 PolarHBondContact OG-N 2.82Å; S224-N226 VanDerWaalsContact OG-N 3.11Å; S224-H227 WeakPolarHBondContact O-CB 3.39Å; S224-H227 PolarHBondContact O-N 3.3Å; S224-I230 WeakPolarHBondContact O-CD1 3.47Å
225	I	95.9	Very high	96.3	Very high	45 Å²	45	31.5 Å²	31.5	23%	0.231	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-20.9	166.3	57.8	173	0	0	0	112.7	H227 V257 I259 P271 V273	I225-H227 VanDerWaalsContact C-N 3.34Å; I225-V257 HydrophobicContact CG2-CG1 3.84Å; I225-I259 HydrophobicContact CG2-CD1 3.94Å; I225-I259 HydrophobicContact CG2-CG1 4.21Å; I225-P271 HydrophobicContact CD1-CB 4.1Å; I225-P271 HydrophobicContact CG1-CB 4.07Å; I225-P271 WeakPolarHBondContact CG2-O 3.32Å; I225-P271 PolarHBondContact N-O 2.95Å; I225-P271 VanDerWaalsContact N-O 3.08Å; I225-V273 HydrophobicContact CG2-CB 4.33Å; I225-V273 HydrophobicContact CG2-CG1 4.2Å
226	N	94.8	Very high	96.2	Very high	60 Å²	60	35.6 Å²	35.6	32%	0.321	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.7	3.7	175	-63.1	-25.2	0	0	0	113.3	S177 H178 S224 K228 Q231	S177-N226 PolarHBondContact OG-ND2 3.28Å; H178-N226 PolarHBondContact NE2-ND2 2.59Å; S224-N226 PolarHBondContact O-N 3.19Å; S224-N226 VanDerWaalsContact O-N 3.12Å; S224-N226 PolarHBondContact OG-N 2.82Å; S224-N226 VanDerWaalsContact OG-N 3.11Å; N226-K228 PolarHBondContact O-N 3.47Å; N226-Q231 PolarHBondContact O-NE2 2.97Å
227	H	96.5	Very high	96.1	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.178	C	C	.	.			trans	-62.6	135.1	-176.9	-170.6	-68.8	0	0	0	110.7	V184 E185 Y187 I223 S224 I225 W229 I230	V184-H227 PolarHBondContact O-CD2 2.91Å; V184-H227 VanDerWaalsContact O-CD2 3.29Å; E185-H227 WeakPolarHBondContact O-CA 3.47Å; E185-H227 PolarHBondContact O-CD2 3.05Å; E185-H227 VanDerWaalsContact O-CD2 3.28Å; E185-H227 VanDerWaalsContact O-CG 3.28Å; E185-H227 PolarHBondContact O-NE2 3.45Å; Y187-H227 AromaticContact CD2-NE2 3.32Å; Y187-H227 VanDerWaalsContact CD2-NE2 3.32Å; Y187-H227 WeakPolarHBondContact CD2-NE2 3.18Å; Y187-H227 AromaticContact CE2-NE2 3.45Å; Y187-H227 WeakPolarHBondContact CE2-NE2 3.42Å; I223-H227 HydrophobicContact CB-CB 3.97Å; I223-H227 HydrophobicContact CD1-CB 3.91Å; I223-H227 HydrophobicContact CG1-CB 4.34Å; S224-H227 WeakPolarHBondContact O-CB 3.39Å; S224-H227 PolarHBondContact O-N 3.3Å; I225-H227 VanDerWaalsContact C-N 3.34Å; H227-W229 AromaticContact CE1-CD1 3.79Å; H227-W229 AromaticContact CE1-CD2 3.23Å; H227-W229 AromaticContact CE1-CE2 3.74Å; H227-W229 AromaticContact CE1-CE3 3.55Å; H227-W229 AromaticContact CE1-CG 3.32Å; H227-W229 AromaticContact CE1-NE1 4Å; H227-W229 WeakPolarHBondContact ND1-CB 3.48Å; H227-W229 AromaticContact ND1-CD2 3.73Å; H227-W229 AromaticContact ND1-CE3 4Å; H227-W229 AromaticContact ND1-CG 3.44Å; H227-W229 PolarHBondContact ND1-N 3.32Å; H227-W229 PolarHBondContact O-N 2.93Å; H227-W229 VanDerWaalsContact O-N 3.08Å; H227-I230 WeakPolarHBondContact O-CB 3.5Å; H227-I230 PolarHBondContact O-N 3.42Å
228	K	95.6	Very high	95.9	Very high	66 Å²	66	37 Å²	37	29%	0.287	18%	0.18	S	C	.	.	H	α-helix	trans	-51.9	-37.1	-176.5	177.8	180	-179.7	175.3	0	113.7	E185 D186 E189 N226 I230 Q231 E232	E185-K228 PolarHBondContact O-N 3.34Å; D186-K228 WeakPolarHBondContact OD2-CD 3.19Å; D186-K228 IonicContact OD2-NZ 3.87Å; D186-K228 PolarHBondContact OD2-NZ 2.89Å; E189-K228 IonicContact OE1-NZ 3.53Å; N226-K228 PolarHBondContact O-N 3.47Å; K228-I230 VanDerWaalsContact C-N 3.26Å; K228-I230 PolarHBondContact O-N 3.32Å; K228-Q231 PolarHBondContact O-N 3.47Å; K228-E232 WeakPolarHBondContact CE-OE1 3.27Å; K228-E232 HydrophobicContact CG-CG 4.03Å; K228-E232 VanDerWaalsContact CG-OE1 3.26Å; K228-E232 WeakPolarHBondContact CG-OE1 3.39Å; K228-E232 WeakPolarHBondContact O-CB 3.43Å; K228-E232 WeakPolarHBondContact O-CG 3.17Å; K228-E232 PolarHBondContact O-N 2.89Å
229	W	97.1	Very high	95.7	Very high	7 Å²	7	41.1 Å²	41.1	3%	0.027	20%	0.202	C	C	.	.	H	α-helix	trans	-57.7	-31.7	175	-67.4	-15.8	0	0	0	115.2	Y187 H227 N233 K234 V235 L275 E285 I286 V289	Y187-W229 HydrophobicContact CD2-CE3 4.22Å; Y187-W229 AromaticContact CD2-CH2 3.3Å; Y187-W229 HydrophobicContact CD2-CH2 3.3Å; Y187-W229 AromaticContact CD2-CZ2 3.78Å; Y187-W229 HydrophobicContact CD2-CZ2 3.78Å; Y187-W229 AromaticContact CD2-CZ3 3.55Å; Y187-W229 HydrophobicContact CD2-CZ3 3.55Å; Y187-W229 HydrophobicContact CE2-CE3 4.09Å; Y187-W229 AromaticContact CE2-CH2 3.64Å; Y187-W229 HydrophobicContact CE2-CH2 3.64Å; Y187-W229 HydrophobicContact CE2-CZ2 4.48Å; Y187-W229 AromaticContact CE2-CZ3 3.4Å; Y187-W229 HydrophobicContact CE2-CZ3 3.4Å; Y187-W229 HydrophobicContact CG-CH2 4.32Å; H227-W229 AromaticContact CE1-CD1 3.79Å; H227-W229 AromaticContact CE1-CD2 3.23Å; H227-W229 AromaticContact CE1-CE2 3.74Å; H227-W229 AromaticContact CE1-CE3 3.55Å; H227-W229 AromaticContact CE1-CG 3.32Å; H227-W229 AromaticContact CE1-NE1 4Å; H227-W229 WeakPolarHBondContact ND1-CB 3.48Å; H227-W229 AromaticContact ND1-CD2 3.73Å; H227-W229 AromaticContact ND1-CE3 4Å; H227-W229 AromaticContact ND1-CG 3.44Å; H227-W229 PolarHBondContact ND1-N 3.32Å; H227-W229 PolarHBondContact O-N 2.93Å; H227-W229 VanDerWaalsContact O-N 3.08Å; W229-N233 PolarHBondContact O-N 2.87Å; W229-N233 VanDerWaalsContact O-N 3.14Å; W229-K234 HydrophobicContact CB-CB 4.22Å; W229-K234 HydrophobicContact CG-CB 4.31Å; W229-K234 PolarHBondContact O-N 2.92Å; W229-V235 HydrophobicContact CB-CB 4.41Å; W229-V235 HydrophobicContact CB-CG1 3.88Å; W229-V235 HydrophobicContact CB-CG2 3.74Å; W229-V235 HydrophobicContact CD2-CG1 3.69Å; W229-V235 HydrophobicContact CE3-CG1 3.48Å; W229-V235 VanDerWaalsContact CE3-CG1 3.48Å; W229-V235 HydrophobicContact CG-CG1 3.93Å; W229-V235 HydrophobicContact CZ3-CG1 4.17Å; W229-L275 HydrophobicContact CE3-CD1 4.32Å; W229-L275 HydrophobicContact CZ3-CD1 3.91Å; W229-E285 HydrophobicContact CH2-CB 4.38Å; W229-E285 HydrophobicContact CZ2-CB 3.96Å; W229-I286 HydrophobicContact CH2-CG1 4.27Å; W229-V289 HydrophobicContact CH2-CG2 3.95Å; W229-V289 HydrophobicContact CZ2-CG2 3.58Å
230	I	95.8	Very high	95.5	Very high	37 Å²	37	42.2 Å²	42.2	19%	0.19	21%	0.206	C	C	.	.	H	α-helix	trans	-72.1	-49.6	175.7	-61.8	174.7	0	0	0	108.7	I223 S224 H227 K228 E232 N233 L237 I259 V273	I223-I230 HydrophobicContact CD1-CD1 3.83Å; I223-I230 HydrophobicContact CD1-CG1 3.83Å; I223-I230 HydrophobicContact CG1-CD1 4.41Å; S224-I230 WeakPolarHBondContact O-CD1 3.47Å; H227-I230 WeakPolarHBondContact O-CB 3.5Å; H227-I230 PolarHBondContact O-N 3.42Å; K228-I230 VanDerWaalsContact C-N 3.26Å; K228-I230 PolarHBondContact O-N 3.32Å; I230-E232 VanDerWaalsContact C-N 3.26Å; I230-E232 PolarHBondContact O-N 3.32Å; I230-N233 PolarHBondContact O-N 3.35Å; I230-L237 HydrophobicContact CD1-CD1 4.19Å; I230-L237 HydrophobicContact CD1-CD2 4.33Å; I230-L237 HydrophobicContact CG1-CD1 4.33Å; I230-L237 HydrophobicContact CG1-CD2 4.28Å; I230-I259 HydrophobicContact CD1-CD1 4.41Å; I230-V273 HydrophobicContact CD1-CG1 3.74Å
231	Q	92.5	Very high	95.1	Very high	146 Å²	146	48.1 Å²	48.1	68%	0.682	23%	0.232	S	C	*	.	H	α-helix	trans	-58.7	-37.6	178.9	-59.3	176.2	2.1	0	0	112.4	N226 K228	N226-Q231 PolarHBondContact O-NE2 2.97Å; K228-Q231 PolarHBondContact O-N 3.47Å
232	E	95.8	Very high	94.6	Very high	83 Å²	83	54.5 Å²	54.5	39%	0.388	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.9	1.6	-179.5	-63.8	178.2	170.1	0	0	113.5	K228 I230 K234	K228-E232 WeakPolarHBondContact CE-OE1 3.27Å; K228-E232 HydrophobicContact CG-CG 4.03Å; K228-E232 VanDerWaalsContact CG-OE1 3.26Å; K228-E232 WeakPolarHBondContact CG-OE1 3.39Å; K228-E232 WeakPolarHBondContact O-CB 3.43Å; K228-E232 WeakPolarHBondContact O-CG 3.17Å; K228-E232 PolarHBondContact O-N 2.89Å; I230-E232 VanDerWaalsContact C-N 3.26Å; I230-E232 PolarHBondContact O-N 3.32Å; E232-K234 VanDerWaalsContact C-N 3.28Å; E232-K234 HydrophobicContact CB-CD 4.15Å; E232-K234 HydrophobicContact CB-CG 3.92Å; E232-K234 PolarHBondContact O-N 2.83Å; E232-K234 VanDerWaalsContact OE2-CD 3.23Å; E232-K234 WeakPolarHBondContact OE2-CD 3.5Å; E232-K234 WeakPolarHBondContact OE2-CE 3.25Å; E232-K234 IonicContact OE2-NZ 2.63Å; E232-K234 PolarHBondContact OE2-NZ 3.23Å
233	N	95.1	Very high	93.8	Very high	118 Å²	118	56.9 Å²	56.9	63%	0.631	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.7	46.8	-174.9	-172.2	15.8	0	0	0	112.9	W229 I230 K281	W229-N233 PolarHBondContact O-N 2.87Å; W229-N233 VanDerWaalsContact O-N 3.14Å; I230-N233 PolarHBondContact O-N 3.35Å; N233-K281 WeakPolarHBondContact O-CE 3.33Å; N233-K281 PolarHBondContact O-NZ 3.34Å; N233-K281 PolarHBondContact OD1-NZ 3.2Å
234	K	96.4	Very high	93	Very high	75 Å²	75	57.4 Å²	57.4	33%	0.326	29%	0.285	S	S	.	.			trans	-93.9	-16.6	-177.2	-79.6	-172.4	175	164.5	0	114.7	W229 E232 K281 E285	W229-K234 HydrophobicContact CB-CB 4.22Å; W229-K234 HydrophobicContact CG-CB 4.31Å; W229-K234 PolarHBondContact O-N 2.92Å; E232-K234 VanDerWaalsContact C-N 3.28Å; E232-K234 HydrophobicContact CB-CD 4.15Å; E232-K234 HydrophobicContact CB-CG 3.92Å; E232-K234 PolarHBondContact O-N 2.83Å; E232-K234 VanDerWaalsContact OE2-CD 3.23Å; E232-K234 WeakPolarHBondContact OE2-CD 3.5Å; E232-K234 WeakPolarHBondContact OE2-CE 3.25Å; E232-K234 IonicContact OE2-NZ 2.63Å; E232-K234 PolarHBondContact OE2-NZ 3.23Å; K234-K281 VanDerWaalsContact C-CE 3.48Å; K234-K281 WeakPolarHBondContact O-CE 3.31Å; K234-K281 WeakPolarHBondContact O-CG 3.4Å; K234-E285 HydrophobicContact CB-CG 4.08Å; K234-E285 WeakPolarHBondContact O-CG 3.48Å
235	V	97.4	Very high	92.1	Very high	8 Å²	8	62.3 Å²	62.3	5%	0.048	31%	0.311	C	S	.	.	S	Bend	trans	-126.3	172.7	-179.7	-64.1	0	0	0	0	110.9	I223 W229 L237 L275 K281 T282 E285	I223-V235 HydrophobicContact CD1-CG2 4.45Å; W229-V235 HydrophobicContact CB-CB 4.41Å; W229-V235 HydrophobicContact CB-CG1 3.88Å; W229-V235 HydrophobicContact CB-CG2 3.74Å; W229-V235 HydrophobicContact CD2-CG1 3.69Å; W229-V235 HydrophobicContact CE3-CG1 3.48Å; W229-V235 VanDerWaalsContact CE3-CG1 3.48Å; W229-V235 HydrophobicContact CG-CG1 3.93Å; W229-V235 HydrophobicContact CZ3-CG1 4.17Å; V235-L237 HydrophobicContact CG2-CD2 4.37Å; V235-L275 HydrophobicContact CB-CD2 3.91Å; V235-L275 HydrophobicContact CG1-CD2 4.33Å; V235-L275 HydrophobicContact CG2-CD2 3.61Å; V235-K281 PolarHBondContact O-NZ 3.11Å; V235-T282 HydrophobicContact CB-CG2 4.42Å; V235-T282 HydrophobicContact CG1-CG2 4.35Å; V235-E285 HydrophobicContact CG1-CB 4.24Å; V235-E285 HydrophobicContact CG1-CG 4.38Å
236	E	97	Very high	91.2	Very high	86 Å²	86	69.8 Å²	69.8	40%	0.402	34%	0.342	S	S	.	.			trans	-111.5	141	165.7	-73.5	171.9	-173	0	0	108.9	D276 S279 K281 T282	E236-D276 HydrophobicContact CB-CB 4.19Å; E236-D276 PolarHBondContact O-N 2.81Å; E236-S279 WeakPolarHBondContact OE2-CB 3.48Å; E236-S279 PolarHBondContact OE2-OG 3.35Å; E236-K281 HydrophobicContact CG-CD 4.26Å; E236-T282 PolarHBondContact N-OG1 3.46Å; E236-T282 PolarHBondContact O-OG1 3.41Å
237	L	96.7	Very high	90.5	Very high	22 Å²	22	68.5 Å²	68.5	12%	0.115	33%	0.333	C	S	.	.	B	Isolated β-bridge	trans	-102.2	147	178.6	-58.5	179.8	0	0	0	109.3	I223 I230 V235 L239 I259 F264 V273 L275	I223-L237 HydrophobicContact CD1-CD2 4.16Å; I230-L237 HydrophobicContact CD1-CD1 4.19Å; I230-L237 HydrophobicContact CD1-CD2 4.33Å; I230-L237 HydrophobicContact CG1-CD1 4.33Å; I230-L237 HydrophobicContact CG1-CD2 4.28Å; V235-L237 HydrophobicContact CG2-CD2 4.37Å; L237-L239 PolarHBondContact O-N 2.9Å; L237-L239 VanDerWaalsContact O-N 3.12Å; L237-I259 HydrophobicContact CD1-CD1 3.74Å; L237-F264 HydrophobicContact CB-CD1 3.35Å; L237-F264 HydrophobicContact CB-CE1 3.63Å; L237-F264 HydrophobicContact CB-CG 4.02Å; L237-F264 HydrophobicContact CB-CZ 4.49Å; L237-F264 HydrophobicContact CD1-CD1 4.08Å; L237-F264 HydrophobicContact CD1-CD2 4.19Å; L237-F264 HydrophobicContact CD1-CE1 4.11Å; L237-F264 HydrophobicContact CD1-CE2 4.24Å; L237-F264 HydrophobicContact CD1-CG 4.09Å; L237-F264 HydrophobicContact CD1-CZ 4.17Å; L237-F264 HydrophobicContact CG-CD1 4.34Å; L237-F264 HydrophobicContact CG-CE1 4.39Å; L237-V273 HydrophobicContact CB-CG2 4.44Å; L237-V273 HydrophobicContact CD1-CG1 4.32Å; L237-V273 HydrophobicContact CD1-CG2 4.01Å; L237-V273 HydrophobicContact CD2-CG1 4.09Å; L237-V273 HydrophobicContact CD2-CG2 4.29Å; L237-V273 HydrophobicContact CG-CG2 4.48Å; L237-L275 HydrophobicContact CD2-CD2 3.94Å
238	T	95	Very high	89.8	Confident	12 Å²	12	71.2 Å²	71.2	7%	0.074	35%	0.347	C	S	.	.			trans	-66.5	114.2	179.3	-61.7	0	0	0	0	109.8	F264 Y265 D274 L275 D276	T238-F264 CarbonylContact O-C 3.56Å; T238-F264 WeakPolarHBondContact O-CA 3.34Å; T238-Y265 HydrophobicContact CG2-CD1 4.22Å; T238-Y265 HydrophobicContact CG2-CG 4.25Å; T238-Y265 PolarHBondContact O-N 2.85Å; T238-D274 PolarHBondContact N-O 3.19Å; T238-L275 PolarHBondContact OG1-O 2.88Å; T238-D276 PolarHBondContact OG1-N 3.44Å
239	L	94	Very high	89.4	Confident	89 Å²	89	68.1 Å²	68.1	47%	0.466	33%	0.333	S	S	.	.	B	Isolated β-bridge	trans	-64.7	137.3	-179.9	-70.8	174.3	0	0	0	111.4	L237 K241 Q262 F264	L237-L239 PolarHBondContact O-N 2.9Å; L237-L239 VanDerWaalsContact O-N 3.12Å; L239-K241 PolarHBondContact O-N 2.96Å; L239-Q262 HydrophobicContact CD2-CG 4.36Å; L239-F264 HydrophobicContact CD2-CD1 4.08Å; L239-F264 HydrophobicContact CD2-CE1 3.72Å
240	F	91.6	Very high	89	Confident	32 Å²	32	68.7 Å²	68.7	14%	0.14	34%	0.335	C	S	.	.			trans	-68.9	126.8	172.3	-175.6	-94.9	0	0	0	110.2	F244 N245 I255 N256 K263	F240-F244 HydrophobicContact CD2-CB 4.12Å; F240-F244 HydrophobicContact CD2-CD2 4.09Å; F240-F244 HydrophobicContact CE2-CB 3.55Å; F240-F244 HydrophobicContact CE2-CD2 4.39Å; F240-F244 HydrophobicContact CZ-CB 3.96Å; F240-N245 WeakPolarHBondContact CE1-OD1 3.25Å; F240-N245 WeakPolarHBondContact CZ-OD1 3.49Å; F240-I255 HydrophobicContact CD2-CG2 4.44Å; F240-I255 HydrophobicContact CE2-CG2 3.67Å; F240-N256 HydrophobicContact CD2-CB 3.51Å; F240-N256 HydrophobicContact CE2-CB 3.57Å; F240-N256 HydrophobicContact CG-CB 4Å; F240-N256 HydrophobicContact CZ-CB 4.11Å; F240-K263 HydrophobicContact CB-CB 3.72Å; F240-K263 VanDerWaalsContact CB-O 3.25Å; F240-K263 WeakPolarHBondContact CB-O 3.45Å; F240-K263 HydrophobicContact CD1-CB 4.32Å; F240-K263 HydrophobicContact CD1-CD 4.48Å; F240-K263 HydrophobicContact CG-CB 4.2Å; F240-K263 PolarHBondContact N-O 3.03Å
241	K	88.4	Confident	88.5	Confident	124 Å²	124	68 Å²	68	54%	0.539	33%	0.33	S	S	.	.			trans	-108.5	147.7	178	-63.3	171.3	-174.2	165.9	0	109.7	L239 S243 F244	L239-K241 PolarHBondContact O-N 2.96Å; K241-S243 PolarHBondContact O-N 2.98Å; K241-F244 HydrophobicContact CB-CD2 3.97Å; K241-F244 HydrophobicContact CB-CE2 3.9Å; K241-F244 HydrophobicContact CB-CG 4.49Å; K241-F244 HydrophobicContact CB-CZ 4.39Å; K241-F244 HydrophobicContact CD-CE2 4.23Å; K241-F244 HydrophobicContact CD-CZ 4.19Å; K241-F244 HydrophobicContact CG-CE2 4.1Å; K241-F244 VanDerWaalsContact N-CD2 3.31Å; K241-F244 VanDerWaalsContact O-CB 3.3Å; K241-F244 WeakPolarHBondContact O-CB 3.39Å; K241-F244 PolarHBondContact O-N 2.86Å
242	D	83.5	Confident	88	Confident	134 Å²	134	63.9 Å²	63.9	72%	0.717	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	-56.5	-27.8	177.9	-71.4	-34.3	0	0	0	113.4	F244 N245	D242-F244 PolarHBondContact O-N 2.91Å; D242-F244 VanDerWaalsContact O-N 3.1Å; D242-N245 WeakPolarHBondContact O-CB 3.35Å; D242-N245 PolarHBondContact O-N 2.91Å; D242-N245 VanDerWaalsContact O-N 3.09Å; D242-N245 PolarHBondContact O-ND2 3.5Å; D242-N245 PolarHBondContact OD1-ND2 2.86Å
243	S	77.7	Confident	87.6	Confident	51 Å²	51	62.3 Å²	62.3	36%	0.357	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-60.7	-15.3	173.3	56.3	0	0	0	0	114.2	K241	K241-S243 PolarHBondContact O-N 2.98Å
244	F	80.5	Confident	87.3	Confident	10 Å²	10	59.6 Å²	59.6	4%	0.044	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-91.7	-10	177.4	-55.4	-33.6	0	0	0	113.5	F240 K241 D242 K246 R247 I255 Y265	F240-F244 HydrophobicContact CD2-CB 4.12Å; F240-F244 HydrophobicContact CD2-CD2 4.09Å; F240-F244 HydrophobicContact CE2-CB 3.55Å; F240-F244 HydrophobicContact CE2-CD2 4.39Å; F240-F244 HydrophobicContact CZ-CB 3.96Å; K241-F244 HydrophobicContact CB-CD2 3.97Å; K241-F244 HydrophobicContact CB-CE2 3.9Å; K241-F244 HydrophobicContact CB-CG 4.49Å; K241-F244 HydrophobicContact CB-CZ 4.39Å; K241-F244 HydrophobicContact CD-CE2 4.23Å; K241-F244 HydrophobicContact CD-CZ 4.19Å; K241-F244 HydrophobicContact CG-CE2 4.1Å; K241-F244 VanDerWaalsContact N-CD2 3.31Å; K241-F244 VanDerWaalsContact O-CB 3.3Å; K241-F244 WeakPolarHBondContact O-CB 3.39Å; K241-F244 PolarHBondContact O-N 2.86Å; D242-F244 PolarHBondContact O-N 2.91Å; D242-F244 VanDerWaalsContact O-N 3.1Å; F244-K246 PolarHBondContact O-N 2.83Å; F244-R247 WeakPolarHBondContact O-CB 3.31Å; F244-R247 PolarHBondContact O-N 2.87Å; F244-I255 HydrophobicContact CB-CG2 4.27Å; F244-Y265 HydrophobicContact CD1-CD2 4.43Å; F244-Y265 HydrophobicContact CD1-CE2 4.37Å; F244-Y265 AromaticContact CD2-CD2 3.51Å; F244-Y265 HydrophobicContact CD2-CD2 3.51Å; F244-Y265 HydrophobicContact CD2-CE2 4.23Å; F244-Y265 HydrophobicContact CD2-CG 4.33Å; F244-Y265 HydrophobicContact CE1-CD2 4.47Å; F244-Y265 HydrophobicContact CE1-CE2 4.38Å; F244-Y265 AromaticContact CE2-CD2 3.56Å; F244-Y265 HydrophobicContact CE2-CD2 3.56Å; F244-Y265 HydrophobicContact CE2-CE2 4.25Å; F244-Y265 HydrophobicContact CE2-CG 4.09Å; F244-Y265 AromaticContact CG-CD2 3.97Å; F244-Y265 HydrophobicContact CG-CD2 3.97Å; F244-Y265 HydrophobicContact CG-CE2 4.29Å; F244-Y265 HydrophobicContact CZ-CD2 4.05Å; F244-Y265 HydrophobicContact CZ-CE2 4.31Å
245	N	77.2	Confident	87	Confident	103 Å²	103	56.2 Å²	56.2	55%	0.551	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-19.1	-174.1	-80.2	-34.2	0	0	0	115.1	F240 D242	F240-N245 WeakPolarHBondContact CE1-OD1 3.25Å; F240-N245 WeakPolarHBondContact CZ-OD1 3.49Å; D242-N245 WeakPolarHBondContact O-CB 3.35Å; D242-N245 PolarHBondContact O-N 2.91Å; D242-N245 VanDerWaalsContact O-N 3.09Å; D242-N245 PolarHBondContact O-ND2 3.5Å; D242-N245 PolarHBondContact OD1-ND2 2.86Å
246	K	77	Confident	86.8	Confident	202 Å²	202	58.6 Å²	58.6	88%	0.878	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.3	-0.3	178.4	-62.4	-174.5	179.5	-178.1	0	114.2	F244	F244-K246 PolarHBondContact O-N 2.83Å
247	R	79.9	Confident	86.6	Confident	34 Å²	34	54.7 Å²	54.7	13%	0.128	29%	0.293	C	S	.	.			trans	-92.8	146.8	-176.5	-58.2	-177.3	-174.4	-166.4	-5.9	110.1	F244 I255 S331	F244-R247 WeakPolarHBondContact O-CB 3.31Å; F244-R247 PolarHBondContact O-N 2.87Å; R247-I255 HydrophobicContact CB-CD1 3.71Å; R247-S331 PolarHBondContact NH1-OG 3.26Å; R247-S331 PolarHBondContact NH2-OG 3.09Å; R247-S331 VanDerWaalsContact NH2-OG 3.14Å
248	I	81.4	Confident	86.5	Confident	57 Å²	57	58 Å²	58	29%	0.292	31%	0.311	S	S	.	.	B	Isolated β-bridge	trans	-109.4	149.3	173	-59	-160.4	0	0	0	108.6	G252 S322	I248-G252 VanDerWaalsContact CG2-CA 3.48Å; I248-S322 WeakPolarHBondContact CB-O 3.32Å; I248-S322 WeakPolarHBondContact CD1-O 3.36Å; I248-S322 WeakPolarHBondContact CG1-O 3.33Å
249	S	88.2	Confident	86.5	Confident	0 Å²	0	58.8 Å²	58.8	0%	0	31%	0.314	C	S	.	.			trans	-65.5	164.3	173.9	93.4	0	0	0	0	111.3	Y251 G252 K253 V267	S249-Y251 PolarHBondContact O-N 3.09Å; S249-Y251 VanDerWaalsContact O-N 3.07Å; S249-Y251 PolarHBondContact OG-N 2.9Å; S249-G252 PolarHBondContact O-N 3.47Å; S249-G252 VanDerWaalsContact O-N 3.11Å; S249-K253 VanDerWaalsContact CB-O 3.31Å; S249-K253 WeakPolarHBondContact CB-O 3.27Å; S249-K253 PolarHBondContact N-O 3.06Å; S249-K253 WeakPolarHBondContact OG-CB 3.03Å; S249-K253 PolarHBondContact OG-N 3.37Å; S249-K253 PolarHBondContact OG-O 3.17Å; S249-V267 CarbonylContact C-O 3.58Å; S249-V267 WeakPolarHBondContact CA-O 3.35Å; S249-V267 VanDerWaalsContact CB-O 3.22Å; S249-V267 WeakPolarHBondContact CB-O 3.16Å
250	R	87.9	Confident	86.4	Confident	20 Å²	20	62.6 Å²	62.6	8%	0.075	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.5	-32.2	175.3	170.1	61	-171.1	97.7	-7.3	113.2	V267 F268 W324 D368 G370 S402	R250-V267 PolarHBondContact N-O 2.9Å; R250-F268 HydrophobicContact CB-CD1 4.08Å; R250-F268 HydrophobicContact CB-CE1 4.38Å; R250-F268 HydrophobicContact CG-CD1 4.39Å; R250-F268 HydrophobicContact CG-CE1 4.4Å; R250-W324 HydrophobicContact CB-CD2 4.13Å; R250-W324 HydrophobicContact CB-CE3 4.15Å; R250-W324 HydrophobicContact CB-CH2 4.36Å; R250-W324 HydrophobicContact CB-CZ2 4.33Å; R250-W324 HydrophobicContact CB-CZ3 4.23Å; R250-W324 VanDerWaalsContact CD-NE1 3.3Å; R250-D368 WeakPolarHBondContact CD-O 3.49Å; R250-D368 IonicContact CZ-OD1 3.88Å; R250-D368 IonicContact CZ-OD2 3.88Å; R250-D368 PolarHBondContact NE-O 2.87Å; R250-D368 IonicContact NE-OD1 3.85Å; R250-D368 IonicContact NE-OD2 2.81Å; R250-D368 IonicContact NH2-OD1 2.7Å; R250-D368 PolarHBondContact NH2-OD1 3.12Å; R250-D368 IonicContact NH2-OD2 2.7Å; R250-D368 PolarHBondContact NH2-OD2 3.17Å; R250-G370 VanDerWaalsContact NH2-CA 3.3Å; R250-S402 PolarHBondContact NH2-OG 2.87Å
251	Y	85.7	Confident	86.4	Confident	21 Å²	21	64.1 Å²	64.1	8%	0.082	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.9	25.8	-176	-57.3	-60.9	0	0	0	113.2	S249 K253 F268 N485 E487	S249-Y251 PolarHBondContact O-N 3.09Å; S249-Y251 VanDerWaalsContact O-N 3.07Å; S249-Y251 PolarHBondContact OG-N 2.9Å; Y251-K253 PolarHBondContact O-N 3.09Å; Y251-F268 HydrophobicContact CD2-CB 4.13Å; Y251-F268 AromaticContact CD2-CD1 3.92Å; Y251-F268 HydrophobicContact CD2-CD1 3.92Å; Y251-F268 HydrophobicContact CD2-CG 4.44Å; Y251-F268 HydrophobicContact CE2-CB 4.18Å; Y251-F268 AromaticContact CE2-CD1 3.37Å; Y251-F268 HydrophobicContact CE2-CD1 3.37Å; Y251-F268 HydrophobicContact CE2-CE1 4.07Å; Y251-F268 HydrophobicContact CE2-CG 4.05Å; Y251-N485 HydrophobicContact CD2-CB 3.78Å; Y251-N485 HydrophobicContact CE2-CB 3.22Å; Y251-E487 HydrophobicContact CD1-CB 3.55Å; Y251-E487 HydrophobicContact CE1-CB 3.56Å; Y251-E487 HydrophobicContact CG-CB 4.33Å
252	G	82.5	Confident	86.7	Confident	60 Å²	60	63.2 Å²	63.2	62%	0.619	36%	0.358	S	S	*	.	S	Bend	trans	76.7	4.3	173.9	0	0	0	0	0	115.1	I248 S249	I248-G252 VanDerWaalsContact CG2-CA 3.48Å; S249-G252 PolarHBondContact O-N 3.47Å; S249-G252 VanDerWaalsContact O-N 3.11Å
253	K	86.7	Confident	87.2	Confident	51 Å²	51	61.9 Å²	61.9	22%	0.222	35%	0.345	C	S	.	.	S	Bend	trans	-87.4	167.9	-179.2	-56.2	179.9	-167.7	159.1	0	111.4	S249 Y251 I255 S270 N485	S249-K253 VanDerWaalsContact CB-O 3.31Å; S249-K253 WeakPolarHBondContact CB-O 3.27Å; S249-K253 PolarHBondContact N-O 3.06Å; S249-K253 WeakPolarHBondContact OG-CB 3.03Å; S249-K253 PolarHBondContact OG-N 3.37Å; S249-K253 PolarHBondContact OG-O 3.17Å; Y251-K253 PolarHBondContact O-N 3.09Å; K253-I255 PolarHBondContact O-N 3.22Å; K253-S270 PolarHBondContact NZ-O 2.91Å; K253-N485 PolarHBondContact NZ-O 2.91Å
254	A	89.1	Confident	88.1	Confident	61 Å²	61	60.2 Å²	60.2	50%	0.504	33%	0.332	S	S	.	.	B	Isolated β-bridge	trans	-59.6	134.9	167.7	0	0	0	0	0	110.5	N256 G269	A254-N256 VanDerWaalsContact C-N 3.33Å; A254-G269 WeakPolarHBondContact O-CA 3.36Å
255	I	89.7	Confident	88.8	Confident	4 Å²	4	59.8 Å²	59.8	2%	0.021	33%	0.33	C	S	.	.	S	Bend	trans	-82.7	-14.2	-178.6	-154.6	173.4	0	0	0	112.5	F240 F244 R247 K253 Y265 S266 Q332	F240-I255 HydrophobicContact CD2-CG2 4.44Å; F240-I255 HydrophobicContact CE2-CG2 3.67Å; F244-I255 HydrophobicContact CB-CG2 4.27Å; R247-I255 HydrophobicContact CB-CD1 3.71Å; K253-I255 PolarHBondContact O-N 3.22Å; I255-Y265 HydrophobicContact CD1-CD2 3.88Å; I255-Y265 HydrophobicContact CD1-CE2 3.19Å; I255-Y265 HydrophobicContact CG1-CD2 3.87Å; I255-Y265 HydrophobicContact CG1-CE2 3.62Å; I255-Y265 CarbonylContact O-C 3.23Å; I255-S266 VanDerWaalsContact CG1-O 3.27Å; I255-S266 WeakPolarHBondContact CG1-O 3.4Å; I255-S266 PolarHBondContact O-N 2.88Å; I255-Q332 VanDerWaalsContact CD1-NE2 3.31Å
256	N	92.3	Very high	89.6	Confident	57 Å²	57	54.9 Å²	54.9	31%	0.305	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	135.2	172.6	67.8	-63.2	0	0	0	110.9	F240 A254 F264	F240-N256 HydrophobicContact CD2-CB 3.51Å; F240-N256 HydrophobicContact CE2-CB 3.57Å; F240-N256 HydrophobicContact CG-CB 4Å; F240-N256 HydrophobicContact CZ-CB 4.11Å; A254-N256 VanDerWaalsContact C-N 3.33Å; N256-F264 CarbonylContact C-O 3.6Å; N256-F264 VanDerWaalsContact CA-O 3.28Å; N256-F264 WeakPolarHBondContact CA-O 3.46Å
257	V	93.9	Very high	90.3	Very high	4 Å²	4	45.3 Å²	45.3	2%	0.024	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	128	172.6	-179.6	0	0	0	0	108.2	I225 I259 K263 F264 N272	I225-V257 HydrophobicContact CG2-CG1 3.84Å; V257-I259 HydrophobicContact CG1-CG1 4.21Å; V257-K263 CarbonylContact O-C 3.51Å; V257-K263 WeakPolarHBondContact O-CA 3.28Å; V257-F264 PolarHBondContact N-O 3.45Å; V257-F264 PolarHBondContact O-N 2.83Å; V257-N272 WeakPolarHBondContact CG2-O 3.46Å
258	D	94.5	Very high	90.9	Very high	93 Å²	93	43.7 Å²	43.7	50%	0.497	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	124.6	178.2	-163.4	-48.3	0	0	0	109.2	G261 Q262	D258-G261 WeakPolarHBondContact OD1-CA 3.24Å; D258-G261 PolarHBondContact OD1-N 2.76Å; D258-Q262 WeakPolarHBondContact CA-O 3.24Å
259	I	94.3	Very high	91.4	Very high	27 Å²	27	41 Å²	41	14%	0.138	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	115.2	172.5	-52.8	174.7	0	0	0	106.1	I225 I230 L237 V257 G261 Q262 F264 V273	I225-I259 HydrophobicContact CG2-CD1 3.94Å; I225-I259 HydrophobicContact CG2-CG1 4.21Å; I230-I259 HydrophobicContact CD1-CD1 4.41Å; L237-I259 HydrophobicContact CD1-CD1 3.74Å; V257-I259 HydrophobicContact CG1-CG1 4.21Å; I259-G261 PolarHBondContact O-N 2.92Å; I259-Q262 PolarHBondContact N-O 3.45Å; I259-Q262 PolarHBondContact O-N 2.71Å; I259-F264 HydrophobicContact CB-CD2 4.01Å; I259-F264 HydrophobicContact CB-CE2 3.87Å; I259-F264 HydrophobicContact CD1-CD2 3.96Å; I259-F264 HydrophobicContact CD1-CE2 4.35Å; I259-F264 HydrophobicContact CG1-CD2 4.03Å; I259-F264 HydrophobicContact CG1-CE2 4.38Å; I259-V273 HydrophobicContact CD1-CB 4.33Å; I259-V273 HydrophobicContact CD1-CG1 4.16Å; I259-V273 HydrophobicContact CD1-CG2 4.15Å
260	D	91.6	Very high	91.6	Very high	170 Å²	170	44 Å²	44	91%	0.909	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.2	35.5	-179.5	-58.8	-35	0	0	0	114.8	Q262	D260-Q262 VanDerWaalsContact C-N 3.3Å; D260-Q262 PolarHBondContact O-N 3.33Å
261	G	92.2	Very high	91.9	Very high	64 Å²	64	43.5 Å²	43.5	66%	0.66	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.5	-2.2	178.7	0	0	0	0	0	114.4	D258 I259	D258-G261 WeakPolarHBondContact OD1-CA 3.24Å; D258-G261 PolarHBondContact OD1-N 2.76Å; I259-G261 PolarHBondContact O-N 2.92Å
262	Q	94.3	Very high	92.4	Very high	104 Å²	104	42.5 Å²	42.5	49%	0.486	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	135.8	172.5	-173.5	166.3	35.7	0	0	110.4	L239 D258 I259 D260 F264	L239-Q262 HydrophobicContact CD2-CG 4.36Å; D258-Q262 WeakPolarHBondContact CA-O 3.24Å; I259-Q262 PolarHBondContact N-O 3.45Å; I259-Q262 PolarHBondContact O-N 2.71Å; D260-Q262 VanDerWaalsContact C-N 3.3Å; D260-Q262 PolarHBondContact O-N 3.33Å; Q262-F264 HydrophobicContact CB-CE2 3.78Å; Q262-F264 HydrophobicContact CB-CZ 3.99Å; Q262-F264 HydrophobicContact CG-CE1 4.21Å; Q262-F264 HydrophobicContact CG-CE2 3.81Å; Q262-F264 HydrophobicContact CG-CZ 3.62Å; Q262-F264 WeakPolarHBondContact O-CD2 3.46Å; Q262-F264 WeakPolarHBondContact O-CE2 3.12Å; Q262-F264 VanDerWaalsContact OE1-CZ 3.25Å
263	K	95.3	Very high	93.1	Very high	106 Å²	106	39.7 Å²	39.7	46%	0.461	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	129.6	179.3	-64.6	-177.4	-179	-178.4	0	111.4	F240 V257	F240-K263 HydrophobicContact CB-CB 3.72Å; F240-K263 VanDerWaalsContact CB-O 3.25Å; F240-K263 WeakPolarHBondContact CB-O 3.45Å; F240-K263 HydrophobicContact CD1-CB 4.32Å; F240-K263 HydrophobicContact CD1-CD 4.48Å; F240-K263 HydrophobicContact CG-CB 4.2Å; F240-K263 PolarHBondContact N-O 3.03Å; V257-K263 CarbonylContact O-C 3.51Å; V257-K263 WeakPolarHBondContact O-CA 3.28Å
264	F	95.7	Very high	93.5	Very high	17 Å²	17	37.2 Å²	37.2	8%	0.075	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	158.1	176.3	-60.9	-79.7	0	0	0	111.1	L237 T238 L239 N256 V257 I259 Q262 V273	L237-F264 HydrophobicContact CB-CD1 3.35Å; L237-F264 HydrophobicContact CB-CE1 3.63Å; L237-F264 HydrophobicContact CB-CG 4.02Å; L237-F264 HydrophobicContact CB-CZ 4.49Å; L237-F264 HydrophobicContact CD1-CD1 4.08Å; L237-F264 HydrophobicContact CD1-CD2 4.19Å; L237-F264 HydrophobicContact CD1-CE1 4.11Å; L237-F264 HydrophobicContact CD1-CE2 4.24Å; L237-F264 HydrophobicContact CD1-CG 4.09Å; L237-F264 HydrophobicContact CD1-CZ 4.17Å; L237-F264 HydrophobicContact CG-CD1 4.34Å; L237-F264 HydrophobicContact CG-CE1 4.39Å; T238-F264 CarbonylContact O-C 3.56Å; T238-F264 WeakPolarHBondContact O-CA 3.34Å; L239-F264 HydrophobicContact CD2-CD1 4.08Å; L239-F264 HydrophobicContact CD2-CE1 3.72Å; N256-F264 CarbonylContact C-O 3.6Å; N256-F264 VanDerWaalsContact CA-O 3.28Å; N256-F264 WeakPolarHBondContact CA-O 3.46Å; V257-F264 PolarHBondContact N-O 3.45Å; V257-F264 PolarHBondContact O-N 2.83Å; I259-F264 HydrophobicContact CB-CD2 4.01Å; I259-F264 HydrophobicContact CB-CE2 3.87Å; I259-F264 HydrophobicContact CD1-CD2 3.96Å; I259-F264 HydrophobicContact CD1-CE2 4.35Å; I259-F264 HydrophobicContact CG1-CD2 4.03Å; I259-F264 HydrophobicContact CG1-CE2 4.38Å; Q262-F264 HydrophobicContact CB-CE2 3.78Å; Q262-F264 HydrophobicContact CB-CZ 3.99Å; Q262-F264 HydrophobicContact CG-CE1 4.21Å; Q262-F264 HydrophobicContact CG-CE2 3.81Å; Q262-F264 HydrophobicContact CG-CZ 3.62Å; Q262-F264 WeakPolarHBondContact O-CD2 3.46Å; Q262-F264 WeakPolarHBondContact O-CE2 3.12Å; Q262-F264 VanDerWaalsContact OE1-CZ 3.25Å; F264-V273 HydrophobicContact CB-CG2 3.63Å; F264-V273 HydrophobicContact CG-CG2 4.33Å
265	Y	94.7	Very high	93.9	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	145.3	175.7	176.5	-91.9	0	0	0	110.7	T238 F244 I255 V267 D274 E311 Q332	T238-Y265 HydrophobicContact CG2-CD1 4.22Å; T238-Y265 HydrophobicContact CG2-CG 4.25Å; T238-Y265 PolarHBondContact O-N 2.85Å; F244-Y265 HydrophobicContact CD1-CD2 4.43Å; F244-Y265 HydrophobicContact CD1-CE2 4.37Å; F244-Y265 AromaticContact CD2-CD2 3.51Å; F244-Y265 HydrophobicContact CD2-CD2 3.51Å; F244-Y265 HydrophobicContact CD2-CE2 4.23Å; F244-Y265 HydrophobicContact CD2-CG 4.33Å; F244-Y265 HydrophobicContact CE1-CD2 4.47Å; F244-Y265 HydrophobicContact CE1-CE2 4.38Å; F244-Y265 AromaticContact CE2-CD2 3.56Å; F244-Y265 HydrophobicContact CE2-CD2 3.56Å; F244-Y265 HydrophobicContact CE2-CE2 4.25Å; F244-Y265 HydrophobicContact CE2-CG 4.09Å; F244-Y265 AromaticContact CG-CD2 3.97Å; F244-Y265 HydrophobicContact CG-CD2 3.97Å; F244-Y265 HydrophobicContact CG-CE2 4.29Å; F244-Y265 HydrophobicContact CZ-CD2 4.05Å; F244-Y265 HydrophobicContact CZ-CE2 4.31Å; I255-Y265 HydrophobicContact CD1-CD2 3.88Å; I255-Y265 HydrophobicContact CD1-CE2 3.19Å; I255-Y265 HydrophobicContact CG1-CD2 3.87Å; I255-Y265 HydrophobicContact CG1-CE2 3.62Å; I255-Y265 CarbonylContact O-C 3.23Å; Y265-V267 HydrophobicContact CE1-CB 4.13Å; Y265-D274 HydrophobicContact CD1-CB 4.01Å; Y265-D274 WeakPolarHBondContact CD1-OD2 3.17Å; Y265-D274 WeakPolarHBondContact CE1-OD2 3.49Å; Y265-D274 PolarHBondContact O-N 2.9Å; Y265-D274 VanDerWaalsContact O-N 3.08Å; Y265-E311 WeakPolarHBondContact CD1-OE1 3.48Å; Y265-E311 HydrophobicContact CE1-CG 3.92Å; Y265-E311 WeakPolarHBondContact CE1-OE1 3.16Å; Y265-Q332 PolarHBondContact OH-NE2 3.35Å
266	S	94.2	Very high	94.3	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	21%	0.205	C	C	.	.			trans	-150.4	115.2	173.4	178	0	0	0	0	110.7	I255 F268 G269 N272	I255-S266 VanDerWaalsContact CG1-O 3.27Å; I255-S266 WeakPolarHBondContact CG1-O 3.4Å; I255-S266 PolarHBondContact O-N 2.88Å; S266-F268 PolarHBondContact O-N 3.39Å; S266-G269 PolarHBondContact O-N 2.8Å; S266-G269 WeakPolarHBondContact OG-CA 3.39Å; S266-G269 PolarHBondContact OG-N 2.81Å; S266-N272 WeakPolarHBondContact CB-O 3.41Å; S266-N272 PolarHBondContact OG-O 2.8Å
267	V	92	Very high	94.5	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.006	19%	0.191	C	C	.	.	S	Bend	trans	-67	-25.1	178.3	74.6	0	0	0	0	112.8	N221 S249 R250 Y265 D274 F308 W324	N221-V267 WeakPolarHBondContact ND2-CG1 3.48Å; S249-V267 CarbonylContact C-O 3.58Å; S249-V267 WeakPolarHBondContact CA-O 3.35Å; S249-V267 VanDerWaalsContact CB-O 3.22Å; S249-V267 WeakPolarHBondContact CB-O 3.16Å; R250-V267 PolarHBondContact N-O 2.9Å; Y265-V267 HydrophobicContact CE1-CB 4.13Å; V267-D274 WeakPolarHBondContact CB-OD2 3.25Å; V267-D274 WeakPolarHBondContact CG1-OD2 3.32Å; V267-D274 PolarHBondContact N-OD1 2.75Å; V267-D274 PolarHBondContact N-OD2 2.63Å; V267-F308 HydrophobicContact CB-CD1 4.39Å; V267-F308 HydrophobicContact CG1-CB 4.22Å; V267-F308 HydrophobicContact CG1-CD1 4.08Å; V267-F308 HydrophobicContact CG1-CG 4.19Å; V267-F308 HydrophobicContact CG2-CD1 3.61Å; V267-F308 HydrophobicContact CG2-CE1 3.89Å; V267-W324 HydrophobicContact CG2-CH2 3.57Å; V267-W324 HydrophobicContact CG2-CZ3 3.64Å
268	F	91.7	Very high	94.6	Very high	0 Å²	0	37 Å²	37	0%	0	21%	0.212	C	C	.	.	S	Bend	trans	-98.9	-11.5	178.4	-57.5	-50.9	0	0	0	113.4	A222 R250 Y251 S266 N272 N305 F308	A222-F268 HydrophobicContact CB-CD2 3.76Å; A222-F268 HydrophobicContact CB-CE2 4.07Å; R250-F268 HydrophobicContact CB-CD1 4.08Å; R250-F268 HydrophobicContact CB-CE1 4.38Å; R250-F268 HydrophobicContact CG-CD1 4.39Å; R250-F268 HydrophobicContact CG-CE1 4.4Å; Y251-F268 HydrophobicContact CD2-CB 4.13Å; Y251-F268 AromaticContact CD2-CD1 3.92Å; Y251-F268 HydrophobicContact CD2-CD1 3.92Å; Y251-F268 HydrophobicContact CD2-CG 4.44Å; Y251-F268 HydrophobicContact CE2-CB 4.18Å; Y251-F268 AromaticContact CE2-CD1 3.37Å; Y251-F268 HydrophobicContact CE2-CD1 3.37Å; Y251-F268 HydrophobicContact CE2-CE1 4.07Å; Y251-F268 HydrophobicContact CE2-CG 4.05Å; S266-F268 PolarHBondContact O-N 3.39Å; F268-N272 HydrophobicContact CB-CB 3.96Å; F268-N305 HydrophobicContact CZ-CB 4.45Å; F268-F308 HydrophobicContact CE1-CD2 4.49Å; F268-F308 HydrophobicContact CE1-CE2 4.11Å; F268-F308 HydrophobicContact CE1-CZ 4.15Å; F268-F308 AromaticContact CZ-CD2 3.97Å; F268-F308 HydrophobicContact CZ-CD2 3.97Å; F268-F308 AromaticContact CZ-CE2 3.94Å; F268-F308 HydrophobicContact CZ-CE2 3.94Å; F268-F308 HydrophobicContact CZ-CG 4.45Å; F268-F308 HydrophobicContact CZ-CZ 4.41Å
269	G	91.9	Very high	94.7	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	19%	0.192	C	C	.	.			trans	73.4	166.8	-174.1	0	0	0	0	0	113.3	A254 S266 N272	A254-G269 WeakPolarHBondContact O-CA 3.36Å; S266-G269 PolarHBondContact O-N 2.8Å; S266-G269 WeakPolarHBondContact OG-CA 3.39Å; S266-G269 PolarHBondContact OG-N 2.81Å; G269-N272 VanDerWaalsContact O-CB 3.32Å; G269-N272 WeakPolarHBondContact O-CB 3.49Å; G269-N272 PolarHBondContact O-N 3.21Å
270	S	93.4	Very high	94.8	Very high	64 Å²	64	37.4 Å²	37.4	45%	0.448	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.9	139.4	-178.9	-176	0	0	0	0	112.4	K253	K253-S270 PolarHBondContact NZ-O 2.91Å
271	P	95	Very high	95.1	Very high	10 Å²	10	32.5 Å²	32.5	7%	0.065	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	cis	-90.4	17.2	7	38.9	-39.6	0	0	0	115.2	H178 M180 L183 I225	H178-P271 HydrophobicContact CB-CG 4.02Å; M180-P271 HydrophobicContact SD-CG 3.79Å; L183-P271 HydrophobicContact CD1-CG 3.6Å; L183-P271 HydrophobicContact CD2-CG 4.06Å; L183-P271 HydrophobicContact CG-CG 4.45Å; I225-P271 HydrophobicContact CD1-CB 4.1Å; I225-P271 HydrophobicContact CG1-CB 4.07Å; I225-P271 WeakPolarHBondContact CG2-O 3.32Å; I225-P271 PolarHBondContact N-O 2.95Å; I225-P271 VanDerWaalsContact N-O 3.08Å
272	N	95.2	Very high	95.4	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	144	169.5	-71.5	-82.3	0	0	0	110.4	L183 A222 I223 V257 S266 F268 G269 N485	L183-N272 HydrophobicContact CD2-CB 4.45Å; L183-N272 VanDerWaalsContact CD2-CG 3.5Å; L183-N272 VanDerWaalsContact CD2-OD1 3.24Å; L183-N272 WeakPolarHBondContact CD2-OD1 3.49Å; A222-N272 HydrophobicContact CB-CB 4.15Å; I223-N272 CarbonylContact O-C 3.56Å; I223-N272 WeakPolarHBondContact O-CA 3.12Å; V257-N272 WeakPolarHBondContact CG2-O 3.46Å; S266-N272 WeakPolarHBondContact CB-O 3.41Å; S266-N272 PolarHBondContact OG-O 2.8Å; F268-N272 HydrophobicContact CB-CB 3.96Å; G269-N272 VanDerWaalsContact O-CB 3.32Å; G269-N272 WeakPolarHBondContact O-CB 3.49Å; G269-N272 PolarHBondContact O-N 3.21Å; N272-N485 PolarHBondContact ND2-OD1 3.17Å
273	V	96.4	Very high	95.5	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	139.9	167.2	63.3	0	0	0	0	110.4	A222 I223 I225 I230 L237 I259 F264	A222-V273 WeakPolarHBondContact CA-O 3.16Å; I223-V273 HydrophobicContact CG1-CG1 3.95Å; I223-V273 PolarHBondContact N-O 3.13Å; I223-V273 PolarHBondContact O-N 3.11Å; I225-V273 HydrophobicContact CG2-CB 4.33Å; I225-V273 HydrophobicContact CG2-CG1 4.2Å; I230-V273 HydrophobicContact CD1-CG1 3.74Å; L237-V273 HydrophobicContact CB-CG2 4.44Å; L237-V273 HydrophobicContact CD1-CG1 4.32Å; L237-V273 HydrophobicContact CD1-CG2 4.01Å; L237-V273 HydrophobicContact CD2-CG1 4.09Å; L237-V273 HydrophobicContact CD2-CG2 4.29Å; L237-V273 HydrophobicContact CG-CG2 4.48Å; I259-V273 HydrophobicContact CD1-CB 4.33Å; I259-V273 HydrophobicContact CD1-CG1 4.16Å; I259-V273 HydrophobicContact CD1-CG2 4.15Å; F264-V273 HydrophobicContact CB-CG2 3.63Å; F264-V273 HydrophobicContact CG-CG2 4.33Å
274	D	96.6	Very high	95.7	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	137.3	-173.4	-68.1	7.8	0	0	0	111.2	N221 A222 T238 Y265 V267	N221-D274 PolarHBondContact ND2-OD1 3.19Å; N221-D274 PolarHBondContact ND2-OD2 3.3Å; N221-D274 WeakPolarHBondContact O-CA 3.3Å; A222-D274 WeakPolarHBondContact CB-OD1 3.5Å; T238-D274 PolarHBondContact N-O 3.19Å; Y265-D274 HydrophobicContact CD1-CB 4.01Å; Y265-D274 WeakPolarHBondContact CD1-OD2 3.17Å; Y265-D274 WeakPolarHBondContact CE1-OD2 3.49Å; Y265-D274 PolarHBondContact O-N 2.9Å; Y265-D274 VanDerWaalsContact O-N 3.08Å; V267-D274 WeakPolarHBondContact CB-OD2 3.25Å; V267-D274 WeakPolarHBondContact CG1-OD2 3.32Å; V267-D274 PolarHBondContact N-OD1 2.75Å; V267-D274 PolarHBondContact N-OD2 2.63Å
275	L	97.7	Very high	95.8	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.005	15%	0.152	C	C	.	.	B	Isolated β-bridge	trans	-76	142.3	175	-71.3	-178.8	0	0	0	110.6	F220 N221 I223 W229 V235 L237 T238 L277 T282	F220-L275 WeakPolarHBondContact O-CD1 3.35Å; N221-L275 PolarHBondContact O-N 3.25Å; I223-L275 HydrophobicContact CD1-CD2 3.53Å; I223-L275 HydrophobicContact CD1-CG 4.24Å; I223-L275 HydrophobicContact CG1-CD2 4.03Å; I223-L275 HydrophobicContact CG1-CG 4.23Å; I223-L275 HydrophobicContact CG2-CD1 4.09Å; I223-L275 HydrophobicContact CG2-CG 4.32Å; W229-L275 HydrophobicContact CE3-CD1 4.32Å; W229-L275 HydrophobicContact CZ3-CD1 3.91Å; V235-L275 HydrophobicContact CB-CD2 3.91Å; V235-L275 HydrophobicContact CG1-CD2 4.33Å; V235-L275 HydrophobicContact CG2-CD2 3.61Å; L237-L275 HydrophobicContact CD2-CD2 3.94Å; T238-L275 PolarHBondContact OG1-O 2.88Å; L275-L277 HydrophobicContact CB-CD2 3.98Å; L275-L277 HydrophobicContact CB-CG 4.43Å; L275-L277 PolarHBondContact O-N 3.47Å; L275-T282 HydrophobicContact CB-CG2 4.03Å; L275-T282 HydrophobicContact CD1-CG2 4.14Å; L275-T282 HydrophobicContact CD2-CG2 4.36Å; L275-T282 HydrophobicContact CG-CG2 4.42Å
276	D	96.6	Very high	96	Very high	43 Å²	43	28.1 Å²	28.1	23%	0.23	15%	0.152	C	C	.	.			trans	-76.7	94.5	165.1	-175.8	-10.3	0	0	0	109	E236 T238 T278 S279 T282	E236-D276 HydrophobicContact CB-CB 4.19Å; E236-D276 PolarHBondContact O-N 2.81Å; T238-D276 PolarHBondContact OG1-N 3.44Å; D276-T278 PolarHBondContact O-N 3.46Å; D276-T278 WeakPolarHBondContact OD1-CA 3.14Å; D276-T278 WeakPolarHBondContact OD1-CB 3.36Å; D276-T278 PolarHBondContact OD1-N 2.93Å; D276-T278 PolarHBondContact OD1-OG1 2.83Å; D276-S279 VanDerWaalsContact O-CB 3.3Å; D276-S279 WeakPolarHBondContact O-CB 3.25Å; D276-S279 PolarHBondContact O-N 3.47Å; D276-S279 VanDerWaalsContact O-N 3.17Å; D276-S279 PolarHBondContact OD1-N 2.97Å; D276-T282 WeakPolarHBondContact O-CB 3.36Å; D276-T282 WeakPolarHBondContact O-CG2 3.39Å; D276-T282 PolarHBondContact O-OG1 3.11Å
277	L	97.2	Very high	96.2	Very high	2 Å²	2	30.3 Å²	30.3	1%	0.01	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-6.4	179.4	-64.5	-174.1	0	0	0	113.9	F220 L275 T282 Q283 I286 F309 V310 F341	F220-L277 WeakPolarHBondContact O-CD2 3.13Å; L275-L277 HydrophobicContact CB-CD2 3.98Å; L275-L277 HydrophobicContact CB-CG 4.43Å; L275-L277 PolarHBondContact O-N 3.47Å; L277-T282 HydrophobicContact CD2-CG2 4.1Å; L277-Q283 WeakPolarHBondContact O-CG 3.49Å; L277-Q283 PolarHBondContact O-NE2 2.93Å; L277-I286 HydrophobicContact CD2-CD1 3.45Å; L277-I286 VanDerWaalsContact CD2-CD1 3.45Å; L277-F309 HydrophobicContact CD1-CB 3.6Å; L277-F309 HydrophobicContact CD1-CD1 3.65Å; L277-F309 HydrophobicContact CD1-CG 3.72Å; L277-F309 WeakPolarHBondContact CD1-O 3.38Å; L277-V310 HydrophobicContact CB-CG2 4.17Å; L277-F341 HydrophobicContact CB-CD2 4.1Å; L277-F341 HydrophobicContact CB-CE2 4.44Å; L277-F341 HydrophobicContact CB-CG 4.28Å; L277-F341 HydrophobicContact CD1-CD1 4.06Å; L277-F341 HydrophobicContact CD1-CE1 3.92Å; L277-F341 HydrophobicContact CD1-CE2 4.45Å; L277-F341 HydrophobicContact CD1-CG 4.38Å; L277-F341 HydrophobicContact CD1-CZ 4.14Å; L277-F341 HydrophobicContact CD2-CD2 4.44Å; L277-F341 HydrophobicContact CD2-CE2 3.94Å; L277-F341 HydrophobicContact CD2-CZ 4.05Å
278	T	95.3	Very high	96.5	Very high	76 Å²	76	32.8 Å²	32.8	47%	0.466	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86	-16.4	171	75.8	0	0	0	0	112.3	D276 V280 V310	D276-T278 PolarHBondContact O-N 3.46Å; D276-T278 WeakPolarHBondContact OD1-CA 3.14Å; D276-T278 WeakPolarHBondContact OD1-CB 3.36Å; D276-T278 PolarHBondContact OD1-N 2.93Å; D276-T278 PolarHBondContact OD1-OG1 2.83Å; T278-V280 PolarHBondContact O-N 3.48Å; T278-V310 HydrophobicContact CG2-CG1 3.74Å; T278-V310 HydrophobicContact CG2-CG2 4.21Å
279	S	96.7	Very high	96.8	Very high	10 Å²	10	32.8 Å²	32.8	7%	0.07	17%	0.174	C	C	.	.			trans	-70.4	127	178.5	-178.4	0	0	0	0	112.2	E236 D276 K281 T282 Q283	E236-S279 WeakPolarHBondContact OE2-CB 3.48Å; E236-S279 PolarHBondContact OE2-OG 3.35Å; D276-S279 VanDerWaalsContact O-CB 3.3Å; D276-S279 WeakPolarHBondContact O-CB 3.25Å; D276-S279 PolarHBondContact O-N 3.47Å; D276-S279 VanDerWaalsContact O-N 3.17Å; D276-S279 PolarHBondContact OD1-N 2.97Å; S279-K281 PolarHBondContact O-N 3.39Å; S279-K281 PolarHBondContact OG-N 3.49Å; S279-T282 PolarHBondContact O-N 3.3Å; S279-Q283 WeakPolarHBondContact O-CG 3.4Å; S279-Q283 PolarHBondContact O-N 2.88Å
280	V	97	Very high	97.1	Very high	117 Å²	117	32.8 Å²	32.8	71%	0.709	17%	0.174	S	C	*	.	H	α-helix	trans	-59	-34	173.3	177.4	0	0	0	0	111.1	T278 K284	T278-V280 PolarHBondContact O-N 3.48Å; V280-K284 WeakPolarHBondContact O-CB 3.22Å; V280-K284 PolarHBondContact O-N 3.49Å
281	K	97.7	Very high	97.3	Very high	68 Å²	68	31.7 Å²	31.7	30%	0.296	16%	0.163	S	C	.	.	H	α-helix	trans	-66	-48.5	178.5	-176	-175.3	173.8	-154.5	0	110.6	N233 K234 V235 E236 S279 K284 E285	N233-K281 WeakPolarHBondContact O-CE 3.33Å; N233-K281 PolarHBondContact O-NZ 3.34Å; N233-K281 PolarHBondContact OD1-NZ 3.2Å; K234-K281 VanDerWaalsContact C-CE 3.48Å; K234-K281 WeakPolarHBondContact O-CE 3.31Å; K234-K281 WeakPolarHBondContact O-CG 3.4Å; V235-K281 PolarHBondContact O-NZ 3.11Å; E236-K281 HydrophobicContact CG-CD 4.26Å; S279-K281 PolarHBondContact O-N 3.39Å; S279-K281 PolarHBondContact OG-N 3.49Å; K281-K284 PolarHBondContact O-N 3.43Å; K281-E285 PolarHBondContact O-N 3.01Å
282	T	98.1	Very high	97.5	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-62.4	-48.5	175.8	-58.6	0	0	0	0	111.9	V235 E236 L275 D276 L277 S279 K284 E285 I286	V235-T282 HydrophobicContact CB-CG2 4.42Å; V235-T282 HydrophobicContact CG1-CG2 4.35Å; E236-T282 PolarHBondContact N-OG1 3.46Å; E236-T282 PolarHBondContact O-OG1 3.41Å; L275-T282 HydrophobicContact CB-CG2 4.03Å; L275-T282 HydrophobicContact CD1-CG2 4.14Å; L275-T282 HydrophobicContact CD2-CG2 4.36Å; L275-T282 HydrophobicContact CG-CG2 4.42Å; D276-T282 WeakPolarHBondContact O-CB 3.36Å; D276-T282 WeakPolarHBondContact O-CG2 3.39Å; D276-T282 PolarHBondContact O-OG1 3.11Å; L277-T282 HydrophobicContact CD2-CG2 4.1Å; S279-T282 PolarHBondContact O-N 3.3Å; T282-K284 VanDerWaalsContact C-N 3.28Å; T282-K284 PolarHBondContact O-N 3Å; T282-E285 PolarHBondContact O-N 3.23Å; T282-E285 VanDerWaalsContact O-N 3.12Å; T282-I286 HydrophobicContact CG2-CD1 4.02Å; T282-I286 PolarHBondContact O-N 2.82Å; T282-I286 VanDerWaalsContact O-N 3.1Å
283	Q	97.9	Very high	97.6	Very high	41 Å²	41	33.9 Å²	33.9	19%	0.192	17%	0.171	C	C	.	.	H	α-helix	trans	-58.2	-40	179.1	-72.4	-179.9	9.5	0	0	112.2	L277 S279 E285 I286 Y287 F341	L277-Q283 WeakPolarHBondContact O-CG 3.49Å; L277-Q283 PolarHBondContact O-NE2 2.93Å; S279-Q283 WeakPolarHBondContact O-CG 3.4Å; S279-Q283 PolarHBondContact O-N 2.88Å; Q283-E285 VanDerWaalsContact C-N 3.34Å; Q283-E285 PolarHBondContact O-N 2.92Å; Q283-I286 PolarHBondContact O-N 2.83Å; Q283-Y287 HydrophobicContact CB-CE2 4.16Å; Q283-Y287 WeakPolarHBondContact O-CD1 3.37Å; Q283-Y287 WeakPolarHBondContact O-CD2 3.13Å; Q283-Y287 PolarHBondContact O-N 3.43Å; Q283-Y287 PolarHBondContact OE1-OH 2.98Å; Q283-F341 HydrophobicContact CG-CD2 4.26Å
284	K	98.1	Very high	97.7	Very high	131 Å²	131	34 Å²	34	57%	0.57	17%	0.172	S	C	*	.	H	α-helix	trans	-59	-43	176.5	-176.6	-177.9	177.8	-174.5	0	112.3	V280 K281 T282 Y287 N288	V280-K284 WeakPolarHBondContact O-CB 3.22Å; V280-K284 PolarHBondContact O-N 3.49Å; K281-K284 PolarHBondContact O-N 3.43Å; T282-K284 VanDerWaalsContact C-N 3.28Å; T282-K284 PolarHBondContact O-N 3Å; K284-Y287 PolarHBondContact O-N 2.96Å; K284-N288 PolarHBondContact O-N 3.16Å; K284-N288 PolarHBondContact O-ND2 2.86Å; K284-N288 PolarHBondContact O-OD1 2.87Å
285	E	98.2	Very high	97.7	Very high	27 Å²	27	40.5 Å²	40.5	13%	0.126	20%	0.2	C	C	.	.	H	α-helix	trans	-69.1	-37.5	178.1	-70.1	-56.9	147.8	0	0	112.6	W229 K234 V235 K281 T282 Q283 Y287 N288 V289	W229-E285 HydrophobicContact CH2-CB 4.38Å; W229-E285 HydrophobicContact CZ2-CB 3.96Å; K234-E285 HydrophobicContact CB-CG 4.08Å; K234-E285 WeakPolarHBondContact O-CG 3.48Å; V235-E285 HydrophobicContact CG1-CB 4.24Å; V235-E285 HydrophobicContact CG1-CG 4.38Å; K281-E285 PolarHBondContact O-N 3.01Å; T282-E285 PolarHBondContact O-N 3.23Å; T282-E285 VanDerWaalsContact O-N 3.12Å; Q283-E285 VanDerWaalsContact C-N 3.34Å; Q283-E285 PolarHBondContact O-N 2.92Å; E285-Y287 VanDerWaalsContact C-N 3.33Å; E285-Y287 PolarHBondContact O-N 2.83Å; E285-N288 WeakPolarHBondContact O-CB 3.46Å; E285-N288 PolarHBondContact O-N 3.43Å; E285-N288 PolarHBondContact OE1-ND2 3.48Å; E285-N288 PolarHBondContact OE2-ND2 3.37Å; E285-N288 VanDerWaalsContact OE2-ND2 3.13Å; E285-V289 WeakPolarHBondContact O-CG2 3.24Å; E285-V289 PolarHBondContact O-N 3.4Å
286	I	98.4	Very high	97.7	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-60.2	-44.2	171.9	-69	170	0	0	0	110.7	F220 W229 L277 T282 Q283 N288 V289 I290 F341	F220-I286 HydrophobicContact CB-CD1 4Å; F220-I286 HydrophobicContact CD1-CD1 4.34Å; F220-I286 HydrophobicContact CD1-CG1 3.95Å; F220-I286 HydrophobicContact CD1-CG2 4.31Å; F220-I286 HydrophobicContact CD2-CG2 3.84Å; F220-I286 HydrophobicContact CE1-CG1 4.33Å; F220-I286 HydrophobicContact CE1-CG2 4.21Å; F220-I286 HydrophobicContact CE2-CG2 3.74Å; F220-I286 HydrophobicContact CG-CD1 4.13Å; F220-I286 HydrophobicContact CG-CG1 4.17Å; F220-I286 HydrophobicContact CG-CG2 4.15Å; F220-I286 HydrophobicContact CZ-CG2 3.93Å; W229-I286 HydrophobicContact CH2-CG1 4.27Å; L277-I286 HydrophobicContact CD2-CD1 3.45Å; L277-I286 VanDerWaalsContact CD2-CD1 3.45Å; T282-I286 HydrophobicContact CG2-CD1 4.02Å; T282-I286 PolarHBondContact O-N 2.82Å; T282-I286 VanDerWaalsContact O-N 3.1Å; Q283-I286 PolarHBondContact O-N 2.83Å; I286-N288 VanDerWaalsContact C-N 3.29Å; I286-N288 PolarHBondContact O-N 3.5Å; I286-V289 WeakPolarHBondContact O-CB 3.38Å; I286-V289 PolarHBondContact O-N 2.96Å; I286-V289 VanDerWaalsContact O-N 3.07Å; I286-I290 HydrophobicContact CG2-CD1 4.05Å; I286-I290 WeakPolarHBondContact O-CG1 3.49Å; I286-I290 PolarHBondContact O-N 3.15Å; I286-F341 HydrophobicContact CD1-CE2 3.71Å; I286-F341 HydrophobicContact CD1-CZ 3.87Å; I286-F341 HydrophobicContact CG2-CE2 4.37Å; I286-F341 HydrophobicContact CG2-CZ 4.28Å
287	Y	98.4	Very high	97.7	Very high	45 Å²	45	41.8 Å²	41.8	18%	0.176	21%	0.212	C	C	.	.	H	α-helix	trans	-63.6	-36.1	176	-59.2	-18.3	0	0	0	111.9	Q283 K284 E285 V289 I290 D291 G344 V345 E348	Q283-Y287 HydrophobicContact CB-CE2 4.16Å; Q283-Y287 WeakPolarHBondContact O-CD1 3.37Å; Q283-Y287 WeakPolarHBondContact O-CD2 3.13Å; Q283-Y287 PolarHBondContact O-N 3.43Å; Q283-Y287 PolarHBondContact OE1-OH 2.98Å; K284-Y287 PolarHBondContact O-N 2.96Å; E285-Y287 VanDerWaalsContact C-N 3.33Å; E285-Y287 PolarHBondContact O-N 2.83Å; Y287-V289 VanDerWaalsContact C-N 3.28Å; Y287-V289 PolarHBondContact O-N 2.63Å; Y287-I290 HydrophobicContact CD1-CD1 4.23Å; Y287-I290 PolarHBondContact O-N 2.93Å; Y287-D291 WeakPolarHBondContact O-CB 3.14Å; Y287-D291 PolarHBondContact O-N 3.42Å; Y287-G344 WeakPolarHBondContact OH-CA 3.45Å; Y287-V345 HydrophobicContact CE1-CG2 4.13Å; Y287-E348 HydrophobicContact CD1-CB 4.27Å; Y287-E348 HydrophobicContact CD1-CG 4.42Å; Y287-E348 HydrophobicContact CG-CB 4.47Å; Y287-E348 HydrophobicContact CG-CG 4.27Å
288	N	98.2	Very high	97.8	Very high	53 Å²	53	41.7 Å²	41.7	28%	0.283	21%	0.211	S	C	.	.	H	α-helix	trans	-64.6	-31.8	173.3	-60.9	-31.3	0	0	0	112.5	K188 K284 E285 I286 F292	K188-N288 VanDerWaalsContact CE-O 3.27Å; K188-N288 WeakPolarHBondContact CE-O 3.45Å; K188-N288 VanDerWaalsContact NZ-CB 3.28Å; K284-N288 PolarHBondContact O-N 3.16Å; K284-N288 PolarHBondContact O-ND2 2.86Å; K284-N288 PolarHBondContact O-OD1 2.87Å; E285-N288 WeakPolarHBondContact O-CB 3.46Å; E285-N288 PolarHBondContact O-N 3.43Å; E285-N288 PolarHBondContact OE1-ND2 3.48Å; E285-N288 PolarHBondContact OE2-ND2 3.37Å; E285-N288 VanDerWaalsContact OE2-ND2 3.13Å; I286-N288 VanDerWaalsContact C-N 3.29Å; I286-N288 PolarHBondContact O-N 3.5Å; N288-F292 WeakPolarHBondContact O-CB 3.26Å; N288-F292 PolarHBondContact O-N 2.82Å; N288-F292 VanDerWaalsContact O-N 3.1Å
289	V	98.5	Very high	97.9	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-67.8	-47.9	173.2	171.8	0	0	0	0	110	Y187 K188 F218 F220 W229 E285 I286 Y287 D291 F292 W293	Y187-V289 HydrophobicContact CG-CG2 4.43Å; K188-V289 HydrophobicContact CG-CG2 4.11Å; F218-V289 HydrophobicContact CD1-CG1 4.39Å; F218-V289 HydrophobicContact CE1-CG1 4.03Å; F218-V289 HydrophobicContact CZ-CG1 4.36Å; F220-V289 HydrophobicContact CE1-CG1 4.2Å; F220-V289 HydrophobicContact CZ-CB 4.49Å; F220-V289 HydrophobicContact CZ-CG1 4.08Å; W229-V289 HydrophobicContact CH2-CG2 3.95Å; W229-V289 HydrophobicContact CZ2-CG2 3.58Å; E285-V289 WeakPolarHBondContact O-CG2 3.24Å; E285-V289 PolarHBondContact O-N 3.4Å; I286-V289 WeakPolarHBondContact O-CB 3.38Å; I286-V289 PolarHBondContact O-N 2.96Å; I286-V289 VanDerWaalsContact O-N 3.07Å; Y287-V289 VanDerWaalsContact C-N 3.28Å; Y287-V289 PolarHBondContact O-N 2.63Å; V289-D291 VanDerWaalsContact C-N 3.33Å; V289-D291 PolarHBondContact O-N 2.68Å; V289-F292 WeakPolarHBondContact O-CB 3.14Å; V289-F292 PolarHBondContact O-N 2.89Å; V289-W293 VanDerWaalsContact O-CD1 3.23Å; V289-W293 PolarHBondContact O-N 3.07Å; V289-W293 VanDerWaalsContact O-N 3.09Å
290	I	98.4	Very high	98	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-58.7	-47.7	178.2	-66.5	162.4	0	0	0	110.2	I286 Y287 F292 W293 M294 I301 V345 E348 I349	I286-I290 HydrophobicContact CG2-CD1 4.05Å; I286-I290 WeakPolarHBondContact O-CG1 3.49Å; I286-I290 PolarHBondContact O-N 3.15Å; Y287-I290 HydrophobicContact CD1-CD1 4.23Å; Y287-I290 PolarHBondContact O-N 2.93Å; I290-F292 VanDerWaalsContact C-N 3.34Å; I290-F292 PolarHBondContact O-N 2.88Å; I290-W293 PolarHBondContact O-N 3.06Å; I290-M294 HydrophobicContact CG2-CE 4.33Å; I290-M294 HydrophobicContact CG2-CG 4.06Å; I290-M294 VanDerWaalsContact O-CB 3.3Å; I290-M294 WeakPolarHBondContact O-CB 3.28Å; I290-M294 WeakPolarHBondContact O-CG 3.27Å; I290-M294 PolarHBondContact O-N 2.97Å; I290-I301 HydrophobicContact CD1-CD1 4.12Å; I290-I301 HydrophobicContact CG1-CD1 4Å; I290-V345 HydrophobicContact CD1-CB 4.36Å; I290-V345 HydrophobicContact CD1-CG1 3.76Å; I290-V345 HydrophobicContact CD1-CG2 4.08Å; I290-E348 HydrophobicContact CG2-CG 4.29Å; I290-I349 HydrophobicContact CG2-CG1 4.16Å
291	D	97.8	Very high	98.1	Very high	41 Å²	41	32.2 Å²	32.2	22%	0.219	15%	0.153	C	C	.	.	H	α-helix	trans	-58.4	-43.4	176.8	175.3	67	0	0	0	112.4	Y287 V289 M294 K295 W352	Y287-D291 WeakPolarHBondContact O-CB 3.14Å; Y287-D291 PolarHBondContact O-N 3.42Å; V289-D291 VanDerWaalsContact C-N 3.33Å; V289-D291 PolarHBondContact O-N 2.68Å; D291-M294 PolarHBondContact O-N 2.95Å; D291-K295 WeakPolarHBondContact O-CB 3.22Å; D291-K295 VanDerWaalsContact O-CG 3.3Å; D291-K295 WeakPolarHBondContact O-CG 3.36Å; D291-K295 PolarHBondContact O-N 3.41Å; D291-K295 VanDerWaalsContact OD1-CE 3.24Å; D291-K295 WeakPolarHBondContact OD1-CE 3.43Å; D291-K295 IonicContact OD1-NZ 3.35Å; D291-K295 PolarHBondContact OD1-NZ 2.73Å; D291-K295 VanDerWaalsContact OD2-CE 3.29Å; D291-K295 WeakPolarHBondContact OD2-CE 3.31Å; D291-K295 IonicContact OD2-NZ 2.64Å; D291-K295 PolarHBondContact OD2-NZ 3.44Å; D291-W352 WeakPolarHBondContact OD1-CZ2 3.39Å
292	F	98.3	Very high	98.2	Very high	56 Å²	56	29 Å²	29	25%	0.246	14%	0.139	C	C	.	.	H	α-helix	trans	-57.8	-52.2	176.6	173.4	-94.2	0	0	0	112	K188 M197 N288 V289 I290 K295 E296	K188-F292 HydrophobicContact CB-CD1 4.25Å; K188-F292 HydrophobicContact CB-CE1 4.33Å; K188-F292 HydrophobicContact CB-CG 4.44Å; K188-F292 HydrophobicContact CD-CB 4.3Å; K188-F292 HydrophobicContact CD-CG 4.33Å; K188-F292 HydrophobicContact CG-CB 4.32Å; K188-F292 HydrophobicContact CG-CD1 4.19Å; K188-F292 HydrophobicContact CG-CG 4.14Å; K188-F292 WeakPolarHBondContact O-CE1 3.22Å; K188-F292 WeakPolarHBondContact O-CZ 3.35Å; M197-F292 HydrophobicContact CE-CZ 4.34Å; N288-F292 WeakPolarHBondContact O-CB 3.26Å; N288-F292 PolarHBondContact O-N 2.82Å; N288-F292 VanDerWaalsContact O-N 3.1Å; V289-F292 WeakPolarHBondContact O-CB 3.14Å; V289-F292 PolarHBondContact O-N 2.89Å; I290-F292 VanDerWaalsContact C-N 3.34Å; I290-F292 PolarHBondContact O-N 2.88Å; F292-K295 WeakPolarHBondContact O-CB 3.31Å; F292-K295 PolarHBondContact O-N 2.99Å; F292-E296 HydrophobicContact CE1-CG 4.45Å; F292-E296 HydrophobicContact CZ-CG 4.46Å; F292-E296 PolarHBondContact O-N 2.8Å
293	W	98.2	Very high	98.2	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-72.9	-33.4	-177.2	-70.1	106.2	0	0	0	112.9	T170 Y187 L190 M197 F200 L216 F218 V289 I290 K295 E296 G297 I298	T170-W293 HydrophobicContact CG2-CZ2 4.1Å; Y187-W293 PolarHBondContact O-NE1 3.04Å; L190-W293 HydrophobicContact CD2-CH2 3.65Å; L190-W293 HydrophobicContact CD2-CZ3 4.41Å; L190-W293 HydrophobicContact CG-CH2 4.17Å; M197-W293 HydrophobicContact CE-CZ3 4.4Å; M197-W293 HydrophobicContact SD-CH2 4.31Å; M197-W293 HydrophobicContact SD-CZ3 4.48Å; F200-W293 HydrophobicContact CD1-CZ3 4.07Å; F200-W293 HydrophobicContact CD2-CZ3 4.38Å; F200-W293 AromaticContact CE1-CE3 3.9Å; F200-W293 HydrophobicContact CE1-CE3 3.9Å; F200-W293 AromaticContact CE1-CZ3 3.6Å; F200-W293 HydrophobicContact CE1-CZ3 3.6Å; F200-W293 AromaticContact CE2-CZ3 3.96Å; F200-W293 HydrophobicContact CE2-CZ3 3.96Å; F200-W293 HydrophobicContact CG-CZ3 4.44Å; F200-W293 AromaticContact CZ-CE3 3.81Å; F200-W293 HydrophobicContact CZ-CE3 3.81Å; F200-W293 AromaticContact CZ-CZ3 3.54Å; F200-W293 HydrophobicContact CZ-CZ3 3.54Å; L216-W293 HydrophobicContact CD1-CB 4.39Å; L216-W293 HydrophobicContact CD1-CD2 3.59Å; L216-W293 HydrophobicContact CD1-CE3 3.41Å; L216-W293 VanDerWaalsContact CD1-CE3 3.41Å; L216-W293 HydrophobicContact CD1-CG 4.05Å; L216-W293 HydrophobicContact CD1-CZ3 3.91Å; F218-W293 AromaticContact CE1-CD1 3.83Å; F218-W293 AromaticContact CE1-NE1 3.61Å; F218-W293 AromaticContact CZ-CD1 3.29Å; F218-W293 HydrophobicContact CZ-CD2 4.3Å; F218-W293 AromaticContact CZ-CG 3.82Å; F218-W293 HydrophobicContact CZ-CG 3.82Å; F218-W293 AromaticContact CZ-NE1 3.49Å; V289-W293 VanDerWaalsContact O-CD1 3.23Å; V289-W293 PolarHBondContact O-N 3.07Å; V289-W293 VanDerWaalsContact O-N 3.09Å; I290-W293 PolarHBondContact O-N 3.06Å; W293-K295 VanDerWaalsContact C-N 3.29Å; W293-K295 PolarHBondContact O-N 3.17Å; W293-E296 PolarHBondContact O-N 3.03Å; W293-G297 PolarHBondContact O-N 3.28Å; W293-G297 VanDerWaalsContact O-N 3.14Å; W293-I298 HydrophobicContact CB-CD1 3.54Å; W293-I298 HydrophobicContact CB-CG1 4.19Å; W293-I298 WeakPolarHBondContact O-CG1 3.49Å; W293-I298 PolarHBondContact O-N 3.02Å
294	M	97.6	Very high	98.1	Very high	4 Å²	4	27.1 Å²	27.1	2%	0.02	13%	0.13	C	C	.	.	H	α-helix	trans	-63	-36.3	173.2	-70.8	-68.9	172.5	0	0	111.9	I290 D291 G297 I298 I301 I349 W352 K360	I290-M294 HydrophobicContact CG2-CE 4.33Å; I290-M294 HydrophobicContact CG2-CG 4.06Å; I290-M294 VanDerWaalsContact O-CB 3.3Å; I290-M294 WeakPolarHBondContact O-CB 3.28Å; I290-M294 WeakPolarHBondContact O-CG 3.27Å; I290-M294 PolarHBondContact O-N 2.97Å; D291-M294 PolarHBondContact O-N 2.95Å; M294-G297 WeakPolarHBondContact O-CA 3.23Å; M294-G297 PolarHBondContact O-N 3.15Å; M294-I298 HydrophobicContact CE-CD1 4.39Å; M294-I298 HydrophobicContact CE-CG1 4.46Å; M294-I298 HydrophobicContact SD-CG1 4.07Å; M294-I301 HydrophobicContact CE-CG2 4.21Å; M294-I349 HydrophobicContact CE-CD1 4.34Å; M294-I349 HydrophobicContact CE-CG1 4.04Å; M294-I349 HydrophobicContact CE-CG2 4.04Å; M294-W352 HydrophobicContact CB-CD2 3.54Å; M294-W352 HydrophobicContact CB-CE3 4.06Å; M294-W352 HydrophobicContact CB-CG 3.9Å; M294-W352 HydrophobicContact CB-CH2 4.3Å; M294-W352 HydrophobicContact CB-CZ2 3.8Å; M294-W352 HydrophobicContact CB-CZ3 4.41Å; M294-W352 HydrophobicContact CG-CD2 4.26Å; M294-W352 HydrophobicContact CG-CG 4.08Å; M294-K360 HydrophobicContact SD-CD 3.79Å; M294-K360 HydrophobicContact SD-CG 4.26Å
295	K	97.2	Very high	98	Very high	135 Å²	135	20.9 Å²	20.9	59%	0.587	10%	0.103	S	C	*	.	H	α-helix	trans	-62.5	-41.6	171.4	-78.1	167.7	179.8	166.2	0	112.8	D291 F292 W293 G297 W352	D291-K295 WeakPolarHBondContact O-CB 3.22Å; D291-K295 VanDerWaalsContact O-CG 3.3Å; D291-K295 WeakPolarHBondContact O-CG 3.36Å; D291-K295 PolarHBondContact O-N 3.41Å; D291-K295 VanDerWaalsContact OD1-CE 3.24Å; D291-K295 WeakPolarHBondContact OD1-CE 3.43Å; D291-K295 IonicContact OD1-NZ 3.35Å; D291-K295 PolarHBondContact OD1-NZ 2.73Å; D291-K295 VanDerWaalsContact OD2-CE 3.29Å; D291-K295 WeakPolarHBondContact OD2-CE 3.31Å; D291-K295 IonicContact OD2-NZ 2.64Å; D291-K295 PolarHBondContact OD2-NZ 3.44Å; F292-K295 WeakPolarHBondContact O-CB 3.31Å; F292-K295 PolarHBondContact O-N 2.99Å; W293-K295 VanDerWaalsContact C-N 3.29Å; W293-K295 PolarHBondContact O-N 3.17Å; K295-G297 PolarHBondContact O-N 2.8Å; K295-W352 HydrophobicContact CB-CH2 4.2Å; K295-W352 HydrophobicContact CD-CZ2 4.44Å; K295-W352 HydrophobicContact CG-CH2 3.39Å; K295-W352 HydrophobicContact CG-CZ2 3.58Å
296	E	97.6	Very high	97.9	Very high	48 Å²	48	19.6 Å²	19.6	22%	0.224	10%	0.097	C	C	.	.	H	α-helix	trans	-66.9	-20.1	175.7	-69.2	-68	157.4	0	0	112.4	M197 F200 R201 L204 F292 W293	M197-E296 VanDerWaalsContact CE-CD 3.48Å; M197-E296 HydrophobicContact CE-CG 3.78Å; F200-E296 HydrophobicContact CE1-CB 4.05Å; R201-E296 IonicContact CZ-OE1 3.55Å; R201-E296 IonicContact CZ-OE2 2.93Å; R201-E296 IonicContact NE-OE1 2.63Å; R201-E296 IonicContact NE-OE2 3.74Å; R201-E296 PolarHBondContact NE-OE2 2.91Å; R201-E296 IonicContact NH2-OE1 2.7Å; R201-E296 PolarHBondContact NH2-OE1 2.92Å; R201-E296 IonicContact NH2-OE2 2.79Å; R201-E296 PolarHBondContact NH2-OE2 3.21Å; L204-E296 VanDerWaalsContact CD1-O 3.3Å; L204-E296 WeakPolarHBondContact CD1-O 3.25Å; F292-E296 HydrophobicContact CE1-CG 4.45Å; F292-E296 HydrophobicContact CZ-CG 4.46Å; F292-E296 PolarHBondContact O-N 2.8Å; W293-E296 PolarHBondContact O-N 3.03Å
297	G	97.2	Very high	97.8	Very high	24 Å²	24	19.6 Å²	19.6	25%	0.247	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	112.1	16.9	164.1	0	0	0	0	0	115.9	H208 W293 M294 K295	H208-G297 PolarHBondContact CE1-O 3.29Å; W293-G297 PolarHBondContact O-N 3.28Å; W293-G297 VanDerWaalsContact O-N 3.14Å; M294-G297 WeakPolarHBondContact O-CA 3.23Å; M294-G297 PolarHBondContact O-N 3.15Å; K295-G297 PolarHBondContact O-N 2.8Å
298	I	98.4	Very high	97.6	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.088	C	C	.	.			trans	-59.7	153.4	176.1	69.7	171.5	0	0	0	111.8	F200 L216 W293 M294 G300 I301 K360	F200-I298 HydrophobicContact CE1-CG2 4.42Å; F200-I298 HydrophobicContact CZ-CG2 3.83Å; L216-I298 HydrophobicContact CB-CD1 4.43Å; L216-I298 HydrophobicContact CD1-CD1 4.24Å; L216-I298 HydrophobicContact CD1-CG2 3.8Å; L216-I298 HydrophobicContact CG-CD1 4.23Å; L216-I298 HydrophobicContact CG-CG2 3.9Å; W293-I298 HydrophobicContact CB-CD1 3.54Å; W293-I298 HydrophobicContact CB-CG1 4.19Å; W293-I298 WeakPolarHBondContact O-CG1 3.49Å; W293-I298 PolarHBondContact O-N 3.02Å; M294-I298 HydrophobicContact CE-CD1 4.39Å; M294-I298 HydrophobicContact CE-CG1 4.46Å; M294-I298 HydrophobicContact SD-CG1 4.07Å; I298-G300 WeakPolarHBondContact CD1-O 3.35Å; I298-I301 HydrophobicContact CD1-CG2 3.68Å; I298-K360 PolarHBondContact O-NZ 3.06Å
299	D	98.7	Very high	97.5	Very high	4 Å²	4	15 Å²	15	2%	0.021	8%	0.075	C	C	.	.	S	Bend	trans	-96.3	-0.1	-177	-60.8	-84.1	0	0	0	113.7	F120 H208 K213 V214 K360 L361	F120-D299 HydrophobicContact CE1-CB 4.29Å; F120-D299 HydrophobicContact CZ-CB 4.17Å; H208-D299 IonicContact CD2-OD2 2.78Å; H208-D299 IonicContact CE1-OD2 3.94Å; H208-D299 IonicContact NE2-OD1 3.99Å; H208-D299 IonicContact NE2-OD2 2.8Å; H208-D299 PolarHBondContact NE2-OD2 3Å; K213-D299 WeakPolarHBondContact CA-OD2 3.34Å; K213-D299 HydrophobicContact CB-CB 3.8Å; K213-D299 HydrophobicContact CD-CB 4.47Å; K213-D299 WeakPolarHBondContact CD-OD1 3.26Å; K213-D299 HydrophobicContact CG-CB 4.41Å; K213-D299 IonicContact NZ-OD1 3.7Å; K213-D299 PolarHBondContact NZ-OD1 3.39Å; V214-D299 PolarHBondContact N-OD2 3.11Å; V214-D299 PolarHBondContact O-N 3.07Å; D299-K360 VanDerWaalsContact O-CA 3.3Å; D299-K360 WeakPolarHBondContact O-CA 3.46Å; D299-L361 PolarHBondContact O-N 2.99Å
300	G	98.7	Very high	97.2	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	166.6	177.5	177	0	0	0	0	0	112.9	I215 L216 I298 L361	I215-G300 WeakPolarHBondContact CA-O 3.32Å; L216-G300 PolarHBondContact N-O 3.02Å; I298-G300 WeakPolarHBondContact CD1-O 3.35Å; G300-L361 CarbonylContact C-O 3.58Å; G300-L361 WeakPolarHBondContact CA-O 3.45Å
301	I	98.7	Very high	96.5	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	148.6	175.7	65.7	180	0	0	0	110.7	L216 F218 I290 M294 I298 L303 V345 I349 L361 L362 A363	L216-I301 CarbonylContact O-C 3.59Å; L216-I301 VanDerWaalsContact O-CA 3.24Å; L216-I301 WeakPolarHBondContact O-CA 3.34Å; F218-I301 HydrophobicContact CD2-CB 4.15Å; F218-I301 HydrophobicContact CD2-CG2 4Å; F218-I301 HydrophobicContact CE2-CB 4.37Å; F218-I301 HydrophobicContact CE2-CG2 3.74Å; I290-I301 HydrophobicContact CD1-CD1 4.12Å; I290-I301 HydrophobicContact CG1-CD1 4Å; M294-I301 HydrophobicContact CE-CG2 4.21Å; I298-I301 HydrophobicContact CD1-CG2 3.68Å; I301-L303 HydrophobicContact CD1-CD2 3.78Å; I301-L303 HydrophobicContact CG1-CD2 4.32Å; I301-V345 HydrophobicContact CD1-CG1 3.78Å; I301-I349 HydrophobicContact CD1-CD1 3.84Å; I301-I349 HydrophobicContact CG1-CD1 3.89Å; I301-L361 PolarHBondContact N-O 2.92Å; I301-L362 HydrophobicContact CD1-CD1 4.04Å; I301-L362 HydrophobicContact CG1-CD1 3.71Å; I301-A363 PolarHBondContact O-N 3.44Å
302	L	98.7	Very high	95.2	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	121.5	164.4	-177.7	147.7	0	0	0	108	W128 I165 I215 L216 T217 F218 D304 A363 N365 V391	W128-L302 HydrophobicContact CH2-CD1 4.22Å; W128-L302 HydrophobicContact CZ2-CD1 4.42Å; W128-L302 HydrophobicContact CZ2-CD2 4.41Å; W128-L302 HydrophobicContact CZ3-CD1 4.41Å; I165-L302 HydrophobicContact CD1-CD1 4.14Å; I165-L302 HydrophobicContact CG2-CB 4.19Å; I165-L302 HydrophobicContact CG2-CD1 3.98Å; I215-L302 HydrophobicContact CG2-CB 4.22Å; L216-L302 PolarHBondContact O-N 3.23Å; T217-L302 CarbonylContact C-O 3.56Å; T217-L302 WeakPolarHBondContact CA-O 3.45Å; T217-L302 HydrophobicContact CG2-CD2 3.66Å; F218-L302 PolarHBondContact N-O 3.48Å; L302-D304 HydrophobicContact CD2-CB 3.92Å; L302-D304 PolarHBondContact O-N 2.81Å; L302-A363 CarbonylContact C-O 3.53Å; L302-A363 WeakPolarHBondContact CA-O 3.43Å; L302-A363 HydrophobicContact CB-CB 4.04Å; L302-A363 HydrophobicContact CD1-CB 4.11Å; L302-A363 HydrophobicContact CG-CB 4.06Å; L302-N365 HydrophobicContact CD1-CB 4.39Å; L302-N365 HydrophobicContact CD2-CB 3.82Å; L302-N365 HydrophobicContact CG-CB 4.41Å; L302-V391 HydrophobicContact CD1-CG2 4.07Å
303	L	98.5	Very high	93.5	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	108	172.1	-55.9	-177.8	0	0	0	108.3	F218 F220 I301 F309 V342 V345 L362 A363 V364 N365	F218-L303 WeakPolarHBondContact O-CA 3.43Å; F220-L303 HydrophobicContact CD2-CD2 3.81Å; F220-L303 HydrophobicContact CE2-CD2 3.76Å; I301-L303 HydrophobicContact CD1-CD2 3.78Å; I301-L303 HydrophobicContact CG1-CD2 4.32Å; L303-F309 HydrophobicContact CB-CE2 4.19Å; L303-F309 HydrophobicContact CB-CZ 3.83Å; L303-F309 HydrophobicContact CD1-CE2 4.27Å; L303-V342 HydrophobicContact CD1-CG1 4.33Å; L303-V342 HydrophobicContact CD1-CG2 4.06Å; L303-V345 HydrophobicContact CD1-CB 4.4Å; L303-V345 HydrophobicContact CD1-CG1 4.13Å; L303-V345 HydrophobicContact CD1-CG2 4.37Å; L303-V345 HydrophobicContact CD2-CG1 4.5Å; L303-L362 HydrophobicContact CD1-CD1 3.9Å; L303-L362 HydrophobicContact CG-CD1 3.87Å; L303-A363 PolarHBondContact N-O 3.02Å; L303-V364 HydrophobicContact CB-CG1 4.27Å; L303-V364 HydrophobicContact CD1-CG1 4.39Å; L303-V364 WeakPolarHBondContact O-CA 3.13Å; L303-N365 PolarHBondContact O-N 3.32Å
304	D	97.1	Very high	91.5	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.005	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	160.2	-179.9	-165.1	23.6	0	0	0	111.4	T217 F218 N219 L302 A306 F309 N365	T217-D304 HydrophobicContact CG2-CB 3.63Å; F218-D304 PolarHBondContact O-N 2.88Å; N219-D304 HydrophobicContact CB-CB 4.41Å; L302-D304 HydrophobicContact CD2-CB 3.92Å; L302-D304 PolarHBondContact O-N 2.81Å; D304-A306 PolarHBondContact O-N 3.24Å; D304-F309 WeakPolarHBondContact O-CE1 3.16Å; D304-N365 PolarHBondContact OD1-ND2 3.18Å
305	N	95.6	Very high	89.2	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.18	C	C	.	.	S	Bend	trans	56.2	31.9	-176.5	-72.4	-34.9	0	0	0	112.8	N219 N221 F268 A307 F308 N365 S366 G367	N219-N305 VanDerWaalsContact CG-ND2 3.31Å; N219-N305 PolarHBondContact ND2-ND2 3.3Å; N221-N305 HydrophobicContact CB-CB 4.35Å; F268-N305 HydrophobicContact CZ-CB 4.45Å; N305-A307 PolarHBondContact O-N 3.44Å; N305-A307 VanDerWaalsContact O-N 3.15Å; N305-F308 HydrophobicContact CB-CD2 3.76Å; N305-F308 HydrophobicContact CB-CE2 4.42Å; N305-F308 WeakPolarHBondContact O-CB 3.3Å; N305-F308 PolarHBondContact O-N 3.44Å; N305-N365 PolarHBondContact N-O 3.2Å; N305-S366 WeakPolarHBondContact CA-O 3.25Å; N305-G367 VanDerWaalsContact OD1-CA 3.28Å; N305-G367 WeakPolarHBondContact OD1-CA 3.29Å
306	A	96.7	Very high	86.8	Confident	0 Å²	0	34 Å²	34	0%	0	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-18.5	-178.1	0	0	0	0	0	113.8	D304 F308 F309 V364 N365 M380 F383	D304-A306 PolarHBondContact O-N 3.24Å; A306-F308 PolarHBondContact O-N 3.29Å; A306-F309 VanDerWaalsContact CA-CE2 3.48Å; A306-F309 VanDerWaalsContact CA-CZ 3.41Å; A306-F309 HydrophobicContact CB-CD2 4.11Å; A306-F309 HydrophobicContact CB-CE1 4.46Å; A306-F309 HydrophobicContact CB-CE2 3.51Å; A306-F309 HydrophobicContact CB-CZ 3.7Å; A306-V364 HydrophobicContact CB-CB 4.17Å; A306-N365 VanDerWaalsContact CB-O 3.25Å; A306-N365 WeakPolarHBondContact CB-O 3.37Å; A306-N365 PolarHBondContact N-O 2.72Å; A306-M380 HydrophobicContact CB-CE 4.38Å; A306-F383 HydrophobicContact CB-CE2 4.18Å; A306-F383 HydrophobicContact CB-CZ 4.28Å
307	A	95	Very high	84.2	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-27.2	169.9	0	0	0	0	0	111.6	N305 I333 Y334 S366 T369	N305-A307 PolarHBondContact O-N 3.44Å; N305-A307 VanDerWaalsContact O-N 3.15Å; A307-I333 HydrophobicContact CB-CB 4.39Å; A307-I333 HydrophobicContact CB-CG2 4.39Å; A307-I333 CarbonylContact O-C 3.3Å; A307-I333 WeakPolarHBondContact O-CA 3.21Å; A307-Y334 HydrophobicContact CB-CD1 4.13Å; A307-Y334 HydrophobicContact CB-CE1 3.56Å; A307-Y334 HydrophobicContact CB-CE2 4.12Å; A307-Y334 PolarHBondContact O-N 2.91Å; A307-S366 WeakPolarHBondContact CB-O 3.38Å; A307-S366 PolarHBondContact N-O 2.84Å; A307-T369 HydrophobicContact CB-CG2 3.48Å; A307-T369 VanDerWaalsContact CB-CG2 3.48Å
308	F	94.9	Very high	81.8	Confident	1 Å²	1	43 Å²	43	0%	0.004	22%	0.22	C	C	.	.	S	Bend	trans	-99.7	-9.1	-167.8	-56.9	-74.8	0	0	0	114.9	N221 V267 F268 N305 A306 V310 W324 I333 D368 T369	N221-F308 HydrophobicContact CB-CB 4.4Å; N221-F308 PolarHBondContact OD1-O 2.95Å; V267-F308 HydrophobicContact CB-CD1 4.39Å; V267-F308 HydrophobicContact CG1-CB 4.22Å; V267-F308 HydrophobicContact CG1-CD1 4.08Å; V267-F308 HydrophobicContact CG1-CG 4.19Å; V267-F308 HydrophobicContact CG2-CD1 3.61Å; V267-F308 HydrophobicContact CG2-CE1 3.89Å; F268-F308 HydrophobicContact CE1-CD2 4.49Å; F268-F308 HydrophobicContact CE1-CE2 4.11Å; F268-F308 HydrophobicContact CE1-CZ 4.15Å; F268-F308 AromaticContact CZ-CD2 3.97Å; F268-F308 HydrophobicContact CZ-CD2 3.97Å; F268-F308 AromaticContact CZ-CE2 3.94Å; F268-F308 HydrophobicContact CZ-CE2 3.94Å; F268-F308 HydrophobicContact CZ-CG 4.45Å; F268-F308 HydrophobicContact CZ-CZ 4.41Å; N305-F308 HydrophobicContact CB-CD2 3.76Å; N305-F308 HydrophobicContact CB-CE2 4.42Å; N305-F308 WeakPolarHBondContact O-CB 3.3Å; N305-F308 PolarHBondContact O-N 3.44Å; A306-F308 PolarHBondContact O-N 3.29Å; F308-V310 PolarHBondContact O-N 3.32Å; F308-W324 HydrophobicContact CD1-CH2 4.26Å; F308-W324 AromaticContact CE1-CH2 3.64Å; F308-W324 HydrophobicContact CE1-CH2 3.64Å; F308-W324 AromaticContact CE1-CZ2 3.67Å; F308-W324 HydrophobicContact CE1-CZ2 3.67Å; F308-W324 HydrophobicContact CZ-CZ2 4.41Å; F308-I333 HydrophobicContact CD1-CG2 3.68Å; F308-I333 HydrophobicContact CE1-CG2 3.57Å; F308-I333 HydrophobicContact CZ-CG2 4.47Å; F308-D368 WeakPolarHBondContact CZ-O 3.36Å; F308-T369 HydrophobicContact CE2-CG2 4.32Å; F308-T369 HydrophobicContact CZ-CG2 4.01Å
309	F	95.4	Very high	79.3	Confident	1 Å²	1	51.2 Å²	51.2	0%	0.004	26%	0.264	C	S	.	.	S	Bend	trans	-50.6	-54.2	-165.7	-72.9	-16.9	0	0	0	117	N221 L277 L303 D304 A306 F341 V342	N221-F309 HydrophobicContact CB-CD1 4.1Å; N221-F309 HydrophobicContact CB-CE1 4.41Å; N221-F309 WeakPolarHBondContact OD1-CA 3.23Å; N221-F309 PolarHBondContact OD1-N 3.21Å; L277-F309 HydrophobicContact CD1-CB 3.6Å; L277-F309 HydrophobicContact CD1-CD1 3.65Å; L277-F309 HydrophobicContact CD1-CG 3.72Å; L277-F309 WeakPolarHBondContact CD1-O 3.38Å; L303-F309 HydrophobicContact CB-CE2 4.19Å; L303-F309 HydrophobicContact CB-CZ 3.83Å; L303-F309 HydrophobicContact CD1-CE2 4.27Å; D304-F309 WeakPolarHBondContact O-CE1 3.16Å; A306-F309 VanDerWaalsContact CA-CE2 3.48Å; A306-F309 VanDerWaalsContact CA-CZ 3.41Å; A306-F309 HydrophobicContact CB-CD2 4.11Å; A306-F309 HydrophobicContact CB-CE1 4.46Å; A306-F309 HydrophobicContact CB-CE2 3.51Å; A306-F309 HydrophobicContact CB-CZ 3.7Å; F309-F341 HydrophobicContact CB-CD1 4.48Å; F309-F341 AromaticContact CD2-CD1 3.56Å; F309-F341 HydrophobicContact CD2-CD1 3.56Å; F309-F341 AromaticContact CD2-CE1 3.84Å; F309-F341 HydrophobicContact CD2-CE1 3.84Å; F309-F341 AromaticContact CE2-CD1 3.93Å; F309-F341 HydrophobicContact CE2-CD1 3.93Å; F309-F341 AromaticContact CE2-CE1 3.81Å; F309-F341 HydrophobicContact CE2-CE1 3.81Å; F309-F341 HydrophobicContact CG-CD1 4.06Å; F309-F341 HydrophobicContact CG-CE1 4.22Å; F309-F341 HydrophobicContact CZ-CE1 4.2Å; F309-V342 HydrophobicContact CD2-CG2 4.09Å; F309-V342 HydrophobicContact CE2-CG2 3.9Å
310	V	92.6	Very high	77.1	Confident	12 Å²	12	54.6 Å²	54.6	7%	0.073	28%	0.281	C	S	.	.	S	Bend	trans	-130	124.3	-179.8	-171.8	0	0	0	0	109.1	L277 T278 F308 G335 E337 S338	L277-V310 HydrophobicContact CB-CG2 4.17Å; T278-V310 HydrophobicContact CG2-CG1 3.74Å; T278-V310 HydrophobicContact CG2-CG2 4.21Å; F308-V310 PolarHBondContact O-N 3.32Å; V310-G335 VanDerWaalsContact O-CA 3.29Å; V310-G335 WeakPolarHBondContact O-CA 3.22Å; V310-E337 HydrophobicContact CB-CB 4.03Å; V310-E337 HydrophobicContact CG1-CB 3.67Å; V310-E337 HydrophobicContact CG2-CB 4.33Å; V310-S338 PolarHBondContact N-OG 2.84Å
311	E	83.3	Confident	74.9	Confident	33 Å²	33	56.4 Å²	56.4	15%	0.154	29%	0.294	C	S	.	.			trans	-71.6	143.9	-179.4	-56.1	77.7	-170.5	0	0	111.5	Y265	Y265-E311 WeakPolarHBondContact CD1-OE1 3.48Å; Y265-E311 HydrophobicContact CE1-CG 3.92Å; Y265-E311 WeakPolarHBondContact CE1-OE1 3.16Å
312	G	71	Confident	73	Confident	27 Å²	27	60.2 Å²	60.2	28%	0.278	32%	0.32	S	S	.	.			trans	-68.1	147.2	177.7	0	0	0	0	0	112.2	E314 S331	G312-E314 PolarHBondContact O-N 3.26Å; G312-S331 PolarHBondContact N-O 2.93Å
313	K	63.2	Low	71.7	Confident	201 Å²	201	64.3 Å²	64.3	87%	0.874	34%	0.341	S	S	*	.	S	Bend	trans	-74.2	-14.2	173	-67.8	-177.5	-179.7	175.6	0	113.2	Q315	K313-Q315 PolarHBondContact O-N 3.47Å
314	E	56.1	Low	71	Confident	141 Å²	141	64.9 Å²	64.9	66%	0.659	34%	0.344	S	S	*	.			trans	-80.2	120.8	-172.1	-71.8	-170.3	167.6	0	0	113.1	G312 T316 S331	G312-E314 PolarHBondContact O-N 3.26Å; E314-T316 PolarHBondContact O-N 3.3Å; E314-S331 WeakPolarHBondContact O-CB 3.33Å
315	Q	48.8	Very low	70.2	Confident	139 Å²	139	67.9 Å²	67.9	65%	0.65	36%	0.359	S	S	*	.			trans	-84.7	80.4	157.3	-68.3	-179.7	2.7	0	0	107.8	K313 Q317	K313-Q315 PolarHBondContact O-N 3.47Å; Q315-Q317 PolarHBondContact O-N 3.07Å
316	T	47.4	Very low	69.2	Low	82 Å²	82	73.9 Å²	73.9	50%	0.503	39%	0.387	S	S	.	.			trans	-68.6	106.1	162.2	43.1	0	0	0	0	107.4	E314 S318	E314-T316 PolarHBondContact O-N 3.3Å; T316-S318 PolarHBondContact O-N 3.02Å
317	Q	42.8	Very low	68	Low	190 Å²	190	76.3 Å²	76.3	89%	0.888	40%	0.4	S	S	*	.			trans	-60	86.3	167.9	-68	177.6	-6.1	0	0	109	Q315	Q315-Q317 PolarHBondContact O-N 3.07Å
318	S	45.4	Very low	67.3	Low	71 Å²	71	78 Å²	78	50%	0.497	41%	0.412	S	S	.	.			trans	-123	147.7	156	61.1	0	0	0	0	107.2	T316 L320	T316-S318 PolarHBondContact O-N 3.02Å; S318-L320 PolarHBondContact O-N 3.46Å
319	N	47.4	Very low	66.5	Low	173 Å²	173	78.3 Å²	78.3	93%	0.925	41%	0.414	S	S	*	.			trans	-62.5	76.3	171.3	-75	-31.6	0	0	0	108.7	S321	N319-S321 PolarHBondContact O-N 2.94Å; N319-S321 VanDerWaalsContact O-N 3.08Å
320	L	51.2	Low	65.3	Low	75 Å²	75	84.4 Å²	84.4	39%	0.393	45%	0.446	S	S	.	.			trans	-60	115.9	175.7	-67.9	165	0	0	0	105.5	S318 N327	S318-L320 PolarHBondContact O-N 3.46Å; L320-N327 WeakPolarHBondContact CA-OD1 3.47Å; L320-N327 HydrophobicContact CD2-CB 3.45Å; L320-N327 VanDerWaalsContact CD2-CB 3.45Å
321	S	53.2	Low	64.3	Low	38 Å²	38	84.4 Å²	84.4	27%	0.266	45%	0.447	S	S	.	.			trans	-52.4	158.2	165.2	83.4	0	0	0	0	109.2	N319 I323 E326 N327	N319-S321 PolarHBondContact O-N 2.94Å; N319-S321 VanDerWaalsContact O-N 3.08Å; S321-I323 PolarHBondContact O-N 3.18Å; S321-I323 VanDerWaalsContact O-N 3.12Å; S321-E326 WeakPolarHBondContact CB-OE2 3.45Å; S321-E326 WeakPolarHBondContact OG-CB 3.3Å; S321-E326 PolarHBondContact OG-OE2 3.36Å; S321-N327 WeakPolarHBondContact CA-ND2 3.3Å; S321-N327 PolarHBondContact N-ND2 3.35Å; S321-N327 PolarHBondContact N-OD1 3.46Å; S321-N327 VanDerWaalsContact N-OD1 3.11Å; S321-N327 PolarHBondContact O-ND2 2.84Å; S321-N327 PolarHBondContact OG-ND2 3.26Å
322	S	59.4	Low	64.3	Low	79 Å²	79	83.1 Å²	83.1	55%	0.552	44%	0.441	S	S	*	.	S	Bend	trans	-66.1	-17.5	-177	47.1	0	0	0	0	113.1	I248	I248-S322 WeakPolarHBondContact CB-O 3.32Å; I248-S322 WeakPolarHBondContact CD1-O 3.36Å; I248-S322 WeakPolarHBondContact CG1-O 3.33Å
323	I	71.6	Confident	65.1	Low	87 Å²	87	82.2 Å²	82.2	45%	0.446	43%	0.429	S	S	.	.	S	Bend	trans	-100.1	127	-166.6	-52.1	174.8	0	0	0	109.9	S321 L325 E326 N327	S321-I323 PolarHBondContact O-N 3.18Å; S321-I323 VanDerWaalsContact O-N 3.12Å; I323-L325 VanDerWaalsContact C-N 3.28Å; I323-L325 PolarHBondContact O-N 2.9Å; I323-E326 HydrophobicContact CB-CG 4.27Å; I323-E326 PolarHBondContact O-N 2.94Å; I323-N327 PolarHBondContact O-ND2 2.84Å
324	W	83	Confident	66.4	Low	12 Å²	12	74.2 Å²	74.2	5%	0.045	39%	0.394	C	S	.	.	H	α-helix	trans	-46.5	-48.7	-178.6	175.2	-77.7	0	0	0	113.3	R250 V267 F308 E326 N327 C328 P329 Q332 I333 T369	R250-W324 HydrophobicContact CB-CD2 4.13Å; R250-W324 HydrophobicContact CB-CE3 4.15Å; R250-W324 HydrophobicContact CB-CH2 4.36Å; R250-W324 HydrophobicContact CB-CZ2 4.33Å; R250-W324 HydrophobicContact CB-CZ3 4.23Å; R250-W324 VanDerWaalsContact CD-NE1 3.3Å; V267-W324 HydrophobicContact CG2-CH2 3.57Å; V267-W324 HydrophobicContact CG2-CZ3 3.64Å; F308-W324 HydrophobicContact CD1-CH2 4.26Å; F308-W324 AromaticContact CE1-CH2 3.64Å; F308-W324 HydrophobicContact CE1-CH2 3.64Å; F308-W324 AromaticContact CE1-CZ2 3.67Å; F308-W324 HydrophobicContact CE1-CZ2 3.67Å; F308-W324 HydrophobicContact CZ-CZ2 4.41Å; W324-E326 VanDerWaalsContact C-N 3.32Å; W324-E326 PolarHBondContact O-N 3.37Å; W324-N327 PolarHBondContact O-N 2.95Å; W324-C328 PolarHBondContact O-N 3.23Å; W324-P329 HydrophobicContact CD2-CG 3.9Å; W324-P329 HydrophobicContact CE3-CG 3.78Å; W324-P329 HydrophobicContact CH2-CG 4.01Å; W324-P329 HydrophobicContact CZ2-CG 4.13Å; W324-P329 HydrophobicContact CZ3-CG 3.87Å; W324-P329 WeakPolarHBondContact O-CD 3.43Å; W324-Q332 HydrophobicContact CH2-CB 4.05Å; W324-Q332 HydrophobicContact CZ3-CB 4.18Å; W324-Q332 VanDerWaalsContact CZ3-NE2 3.34Å; W324-I333 HydrophobicContact CH2-CG2 4.11Å; W324-I333 HydrophobicContact CZ2-CG2 3.97Å; W324-T369 PolarHBondContact NE1-O 2.84Å
325	L	80	Confident	68	Low	63 Å²	63	67.9 Å²	67.9	33%	0.33	37%	0.366	S	S	.	.	H	α-helix	trans	-71	-24.9	-172.3	-64.2	172.8	0	0	0	113.9	I323 S402	I323-L325 VanDerWaalsContact C-N 3.28Å; I323-L325 PolarHBondContact O-N 2.9Å; L325-S402 WeakPolarHBondContact CD1-O 3.36Å; L325-S402 WeakPolarHBondContact CD2-O 3.34Å; L325-S402 WeakPolarHBondContact CD2-OG 3.43Å
326	E	75.2	Confident	69.9	Low	127 Å²	127	65.5 Å²	65.5	59%	0.593	37%	0.365	S	S	*	.	H	α-helix	trans	-76.9	-29	179.9	-71.3	179.7	173.7	0	0	112.2	S321 I323 W324	S321-E326 WeakPolarHBondContact CB-OE2 3.45Å; S321-E326 WeakPolarHBondContact OG-CB 3.3Å; S321-E326 PolarHBondContact OG-OE2 3.36Å; I323-E326 HydrophobicContact CB-CG 4.27Å; I323-E326 PolarHBondContact O-N 2.94Å; W324-E326 VanDerWaalsContact C-N 3.32Å; W324-E326 PolarHBondContact O-N 3.37Å
327	N	70.8	Confident	72.1	Confident	51 Å²	51	64.8 Å²	64.8	27%	0.273	36%	0.356	S	S	.	.	H	α-helix	trans	-107.5	-19.1	-176.3	-57.8	-68.6	0	0	0	114.8	L320 S321 I323 W324	L320-N327 WeakPolarHBondContact CA-OD1 3.47Å; L320-N327 HydrophobicContact CD2-CB 3.45Å; L320-N327 VanDerWaalsContact CD2-CB 3.45Å; S321-N327 WeakPolarHBondContact CA-ND2 3.3Å; S321-N327 PolarHBondContact N-ND2 3.35Å; S321-N327 PolarHBondContact N-OD1 3.46Å; S321-N327 VanDerWaalsContact N-OD1 3.11Å; S321-N327 PolarHBondContact O-ND2 2.84Å; S321-N327 PolarHBondContact OG-ND2 3.26Å; I323-N327 PolarHBondContact O-ND2 2.84Å; W324-N327 PolarHBondContact O-N 2.95Å
328	C	80.4	Confident	74.6	Confident	35 Å²	35	55.8 Å²	55.8	24%	0.236	31%	0.314	C	S	.	.			trans	43.2	73	-172	-77.1	0	0	0	0	112.5	W324 N330 C371	W324-C328 PolarHBondContact O-N 3.23Å; C328-N330 PolarHBondContact O-N 2.92Å; C328-N330 PolarHBondContact O-OD1 3.3Å; C328-C371 WeakPolarHBondContact CA-SG 3.48Å; C328-C371 HydrophobicContact CB-CB 3.66Å; C328-C371 WeakPolarHBondContact CB-SG 3.36Å; C328-C371 WeakPolarHBondContact SG-CA 3.37Å; C328-C371 WeakPolarHBondContact SG-CB 3.45Å; C328-C371 CovalentContact SG-SG 2.03Å; C328-C371 PolarHBondContact SG-SG 2.98Å
329	P	77.6	Confident	77.1	Confident	8 Å²	8	54.2 Å²	54.2	5%	0.052	30%	0.301	C	S	.	.			trans	-68.8	94.6	-157.8	27.3	-35.6	0	0	0	112	W324 S331 Q332 I333	W324-P329 HydrophobicContact CD2-CG 3.9Å; W324-P329 HydrophobicContact CE3-CG 3.78Å; W324-P329 HydrophobicContact CH2-CG 4.01Å; W324-P329 HydrophobicContact CZ2-CG 4.13Å; W324-P329 HydrophobicContact CZ3-CG 3.87Å; W324-P329 WeakPolarHBondContact O-CD 3.43Å; P329-S331 PolarHBondContact O-N 2.81Å; P329-Q332 HydrophobicContact CB-CB 4.35Å; P329-Q332 HydrophobicContact CB-CG 4.27Å; P329-Q332 HydrophobicContact CG-CB 4.17Å; P329-Q332 HydrophobicContact CG-CG 4.37Å; P329-Q332 PolarHBondContact O-N 2.71Å; P329-I333 PolarHBondContact O-N 3Å
330	N	71.5	Confident	79.4	Confident	128 Å²	128	51.4 Å²	51.4	68%	0.684	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.6	-24.7	178.5	-70.7	-25	0	0	0	113.9	C328 Q332	C328-N330 PolarHBondContact O-N 2.92Å; C328-N330 PolarHBondContact O-OD1 3.3Å; N330-Q332 VanDerWaalsContact C-N 3.26Å; N330-Q332 PolarHBondContact O-N 3.47Å
331	S	71.8	Confident	81.6	Confident	12 Å²	12	48 Å²	48	8%	0.084	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74	-13.8	175.8	69.3	0	0	0	0	114.4	R247 G312 E314 P329	R247-S331 PolarHBondContact NH1-OG 3.26Å; R247-S331 PolarHBondContact NH2-OG 3.09Å; R247-S331 VanDerWaalsContact NH2-OG 3.14Å; G312-S331 PolarHBondContact N-O 2.93Å; E314-S331 WeakPolarHBondContact O-CB 3.33Å; P329-S331 PolarHBondContact O-N 2.81Å
332	Q	82.7	Confident	83.7	Confident	7 Å²	7	46.1 Å²	46.1	3%	0.033	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110	-6	-179.7	-63	176.6	-109.6	0	0	112.7	I255 Y265 W324 P329 N330	I255-Q332 VanDerWaalsContact CD1-NE2 3.31Å; Y265-Q332 PolarHBondContact OH-NE2 3.35Å; W324-Q332 HydrophobicContact CH2-CB 4.05Å; W324-Q332 HydrophobicContact CZ3-CB 4.18Å; W324-Q332 VanDerWaalsContact CZ3-NE2 3.34Å; P329-Q332 HydrophobicContact CB-CB 4.35Å; P329-Q332 HydrophobicContact CB-CG 4.27Å; P329-Q332 HydrophobicContact CG-CB 4.17Å; P329-Q332 HydrophobicContact CG-CG 4.37Å; P329-Q332 PolarHBondContact O-N 2.71Å; N330-Q332 VanDerWaalsContact C-N 3.26Å; N330-Q332 PolarHBondContact O-N 3.47Å
333	I	88.5	Confident	85.6	Confident	7 Å²	7	46.7 Å²	46.7	4%	0.036	24%	0.244	C	C	.	.	S	Bend	trans	-134.9	148.3	179.9	58	178	0	0	0	111.2	A307 F308 W324 P329 G335 T369	A307-I333 HydrophobicContact CB-CB 4.39Å; A307-I333 HydrophobicContact CB-CG2 4.39Å; A307-I333 CarbonylContact O-C 3.3Å; A307-I333 WeakPolarHBondContact O-CA 3.21Å; F308-I333 HydrophobicContact CD1-CG2 3.68Å; F308-I333 HydrophobicContact CE1-CG2 3.57Å; F308-I333 HydrophobicContact CZ-CG2 4.47Å; W324-I333 HydrophobicContact CH2-CG2 4.11Å; W324-I333 HydrophobicContact CZ2-CG2 3.97Å; P329-I333 PolarHBondContact O-N 3Å; I333-G335 VanDerWaalsContact C-N 3.3Å; I333-G335 PolarHBondContact O-N 3.37Å; I333-T369 HydrophobicContact CG2-CG2 4.33Å
334	Y	89.9	Confident	86.8	Confident	34 Å²	34	43 Å²	43	13%	0.133	23%	0.227	C	C	.	.	S	Bend	trans	57.6	35.3	174.9	-53.9	-67	0	0	0	114.6	A307 S366 T369 P379 M380 M382 R393	A307-Y334 HydrophobicContact CB-CD1 4.13Å; A307-Y334 HydrophobicContact CB-CE1 3.56Å; A307-Y334 HydrophobicContact CB-CE2 4.12Å; A307-Y334 PolarHBondContact O-N 2.91Å; Y334-S366 VanDerWaalsContact OH-CB 3.26Å; Y334-S366 WeakPolarHBondContact OH-CB 3.43Å; Y334-T369 HydrophobicContact CE2-CG2 4.42Å; Y334-P379 HydrophobicContact CD1-CB 3.73Å; Y334-P379 HydrophobicContact CD2-CB 3.63Å; Y334-P379 HydrophobicContact CD2-CG 4.13Å; Y334-P379 HydrophobicContact CE1-CB 3.85Å; Y334-P379 HydrophobicContact CE2-CB 3.76Å; Y334-P379 HydrophobicContact CE2-CG 4.02Å; Y334-P379 HydrophobicContact CG-CB 3.63Å; Y334-M380 HydrophobicContact CE1-CG 4.28Å; Y334-M380 HydrophobicContact CE1-SD 3.73Å; Y334-M382 HydrophobicContact CD1-SD 3.88Å; Y334-M382 HydrophobicContact CG-SD 4.32Å; Y334-R393 PolarHBondContact OH-NH1 2.63Å; Y334-R393 PolarHBondContact OH-NH2 2.84Å
335	G	89.8	Confident	87.6	Confident	7 Å²	7	42.4 Å²	42.4	7%	0.072	23%	0.225	C	C	.	.			trans	-64.1	137.3	174.9	0	0	0	0	0	111.8	V310 I333 E337 S338 M382	V310-G335 VanDerWaalsContact O-CA 3.29Å; V310-G335 WeakPolarHBondContact O-CA 3.22Å; I333-G335 VanDerWaalsContact C-N 3.3Å; I333-G335 PolarHBondContact O-N 3.37Å; G335-E337 VanDerWaalsContact C-N 3.26Å; G335-E337 PolarHBondContact O-N 2.93Å; G335-S338 WeakPolarHBondContact O-CB 3.33Å; G335-S338 PolarHBondContact O-N 2.78Å; G335-S338 PolarHBondContact O-OG 3.45Å; G335-M382 VanDerWaalsContact O-CE 3.31Å; G335-M382 WeakPolarHBondContact O-CE 3.04Å
336	S	89.2	Confident	88.5	Confident	89 Å²	89	40.6 Å²	40.6	62%	0.622	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-31	-170.8	54.8	0	0	0	0	114.5	S338 V339	S336-S338 PolarHBondContact O-N 2.88Å; S336-V339 PolarHBondContact O-N 3.3Å
337	E	92.9	Very high	89.5	Confident	68 Å²	68	39.7 Å²	39.7	32%	0.318	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-17	177.1	-64.7	-64.5	131.9	0	0	112.7	V310 G335 V339 K340 F341	V310-E337 HydrophobicContact CB-CB 4.03Å; V310-E337 HydrophobicContact CG1-CB 3.67Å; V310-E337 HydrophobicContact CG2-CB 4.33Å; G335-E337 VanDerWaalsContact C-N 3.26Å; G335-E337 PolarHBondContact O-N 2.93Å; E337-V339 PolarHBondContact O-N 2.98Å; E337-K340 PolarHBondContact O-N 2.81Å; E337-K340 VanDerWaalsContact O-N 3.08Å; E337-K340 IonicContact OE1-NZ 2.75Å; E337-K340 PolarHBondContact OE1-NZ 2.92Å; E337-K340 VanDerWaalsContact OE2-CD 3.3Å; E337-K340 WeakPolarHBondContact OE2-CD 3.41Å; E337-K340 WeakPolarHBondContact OE2-CE 3.46Å; E337-K340 IonicContact OE2-NZ 2.95Å; E337-K340 PolarHBondContact OE2-NZ 3.19Å; E337-F341 PolarHBondContact O-N 3.36Å
338	S	95.6	Very high	90.8	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-57.7	-33.5	172.2	-53.4	0	0	0	0	111.6	V310 G335 S336 K340 F341 V342	V310-S338 PolarHBondContact N-OG 2.84Å; G335-S338 WeakPolarHBondContact O-CB 3.33Å; G335-S338 PolarHBondContact O-N 2.78Å; G335-S338 PolarHBondContact O-OG 3.45Å; S336-S338 PolarHBondContact O-N 2.88Å; S338-K340 VanDerWaalsContact C-N 3.32Å; S338-K340 PolarHBondContact O-N 2.94Å; S338-F341 PolarHBondContact O-N 3.04Å; S338-V342 WeakPolarHBondContact O-CG2 3.15Å; S338-V342 PolarHBondContact O-N 3.31Å; S338-V342 VanDerWaalsContact O-N 3.09Å
339	V	96.8	Very high	91.7	Very high	38 Å²	38	36.8 Å²	36.8	23%	0.23	19%	0.191	C	C	.	.	H	α-helix	trans	-63.1	-39.9	177.6	-177	0	0	0	0	110.9	S336 E337 V342 E343 M382 F383 V386	S336-V339 PolarHBondContact O-N 3.3Å; E337-V339 PolarHBondContact O-N 2.98Å; V339-V342 PolarHBondContact O-N 2.76Å; V339-E343 WeakPolarHBondContact O-CB 3.44Å; V339-E343 PolarHBondContact O-N 3.27Å; V339-M382 HydrophobicContact CG2-CB 4.22Å; V339-M382 HydrophobicContact CG2-CE 3.58Å; V339-M382 HydrophobicContact CG2-CG 4.24Å; V339-M382 WeakPolarHBondContact CG2-O 3.1Å; V339-F383 HydrophobicContact CG2-CD1 4.33Å; V339-F383 HydrophobicContact CG2-CE1 4.35Å; V339-V386 HydrophobicContact CG1-CG1 4.1Å; V339-V386 HydrophobicContact CG1-CG2 4.14Å
340	K	96.4	Very high	92.6	Very high	115 Å²	115	40 Å²	40	50%	0.5	21%	0.208	S	C	.	.	H	α-helix	trans	-67.3	-38.4	178.8	-63.5	-172.5	-166.9	154.8	0	112	E337 S338 E343 G344	E337-K340 PolarHBondContact O-N 2.81Å; E337-K340 VanDerWaalsContact O-N 3.08Å; E337-K340 IonicContact OE1-NZ 2.75Å; E337-K340 PolarHBondContact OE1-NZ 2.92Å; E337-K340 VanDerWaalsContact OE2-CD 3.3Å; E337-K340 WeakPolarHBondContact OE2-CD 3.41Å; E337-K340 WeakPolarHBondContact OE2-CE 3.46Å; E337-K340 IonicContact OE2-NZ 2.95Å; E337-K340 PolarHBondContact OE2-NZ 3.19Å; S338-K340 VanDerWaalsContact C-N 3.32Å; S338-K340 PolarHBondContact O-N 2.94Å; K340-E343 WeakPolarHBondContact O-CB 3.4Å; K340-E343 PolarHBondContact O-N 3.16Å; K340-G344 PolarHBondContact O-N 2.86Å
341	F	97.4	Very high	93.8	Very high	2 Å²	2	39.3 Å²	39.3	1%	0.009	20%	0.199	C	C	.	.	H	α-helix	trans	-60.4	-49.2	173.6	169.2	-107.6	0	0	0	111.2	F220 L277 Q283 I286 F309 E337 S338 E343 G344 V345	F220-F341 HydrophobicContact CB-CZ 4.28Å; F220-F341 HydrophobicContact CD2-CZ 4.36Å; L277-F341 HydrophobicContact CB-CD2 4.1Å; L277-F341 HydrophobicContact CB-CE2 4.44Å; L277-F341 HydrophobicContact CB-CG 4.28Å; L277-F341 HydrophobicContact CD1-CD1 4.06Å; L277-F341 HydrophobicContact CD1-CE1 3.92Å; L277-F341 HydrophobicContact CD1-CE2 4.45Å; L277-F341 HydrophobicContact CD1-CG 4.38Å; L277-F341 HydrophobicContact CD1-CZ 4.14Å; L277-F341 HydrophobicContact CD2-CD2 4.44Å; L277-F341 HydrophobicContact CD2-CE2 3.94Å; L277-F341 HydrophobicContact CD2-CZ 4.05Å; Q283-F341 HydrophobicContact CG-CD2 4.26Å; I286-F341 HydrophobicContact CD1-CE2 3.71Å; I286-F341 HydrophobicContact CD1-CZ 3.87Å; I286-F341 HydrophobicContact CG2-CE2 4.37Å; I286-F341 HydrophobicContact CG2-CZ 4.28Å; F309-F341 HydrophobicContact CB-CD1 4.48Å; F309-F341 AromaticContact CD2-CD1 3.56Å; F309-F341 HydrophobicContact CD2-CD1 3.56Å; F309-F341 AromaticContact CD2-CE1 3.84Å; F309-F341 HydrophobicContact CD2-CE1 3.84Å; F309-F341 AromaticContact CE2-CD1 3.93Å; F309-F341 HydrophobicContact CE2-CD1 3.93Å; F309-F341 AromaticContact CE2-CE1 3.81Å; F309-F341 HydrophobicContact CE2-CE1 3.81Å; F309-F341 HydrophobicContact CG-CD1 4.06Å; F309-F341 HydrophobicContact CG-CE1 4.22Å; F309-F341 HydrophobicContact CZ-CE1 4.2Å; E337-F341 PolarHBondContact O-N 3.36Å; S338-F341 PolarHBondContact O-N 3.04Å; F341-E343 VanDerWaalsContact C-N 3.32Å; F341-E343 PolarHBondContact O-N 3.36Å; F341-G344 PolarHBondContact O-N 3.36Å; F341-V345 HydrophobicContact CE1-CG2 4.4Å; F341-V345 HydrophobicContact CE2-CG2 4.24Å; F341-V345 HydrophobicContact CZ-CG2 4.05Å; F341-V345 PolarHBondContact O-N 3.21Å; F341-V345 VanDerWaalsContact O-N 3.1Å
342	V	98.2	Very high	95	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-64.6	-35.7	178	178.9	0	0	0	0	111.7	L303 F309 S338 V339 V345 R346 L362 V364 F383 V386	L303-V342 HydrophobicContact CD1-CG1 4.33Å; L303-V342 HydrophobicContact CD1-CG2 4.06Å; F309-V342 HydrophobicContact CD2-CG2 4.09Å; F309-V342 HydrophobicContact CE2-CG2 3.9Å; S338-V342 WeakPolarHBondContact O-CG2 3.15Å; S338-V342 PolarHBondContact O-N 3.31Å; S338-V342 VanDerWaalsContact O-N 3.09Å; V339-V342 PolarHBondContact O-N 2.76Å; V342-V345 WeakPolarHBondContact O-CB 3.45Å; V342-V345 PolarHBondContact O-N 3.18Å; V342-R346 PolarHBondContact O-N 3.43Å; V342-L362 HydrophobicContact CG1-CD2 4Å; V342-V364 HydrophobicContact CG1-CG1 4.11Å; V342-V364 HydrophobicContact CG2-CG1 4.45Å; V342-F383 HydrophobicContact CB-CD1 4.11Å; V342-F383 HydrophobicContact CB-CE1 4.29Å; V342-F383 HydrophobicContact CG1-CD1 4.34Å; V342-F383 HydrophobicContact CG2-CD1 3.82Å; V342-F383 HydrophobicContact CG2-CE1 3.61Å; V342-V386 HydrophobicContact CB-CG2 4.02Å; V342-V386 HydrophobicContact CG1-CB 4.24Å; V342-V386 HydrophobicContact CG1-CG2 3.6Å
343	E	98.1	Very high	95.7	Very high	90 Å²	90	42.7 Å²	42.7	42%	0.421	21%	0.213	S	C	.	.	H	α-helix	trans	-59.3	-45.8	172.6	-171.6	179	-162.8	0	0	111.7	V339 K340 F341 V345 R346 Q347 V386	V339-E343 WeakPolarHBondContact O-CB 3.44Å; V339-E343 PolarHBondContact O-N 3.27Å; K340-E343 WeakPolarHBondContact O-CB 3.4Å; K340-E343 PolarHBondContact O-N 3.16Å; F341-E343 VanDerWaalsContact C-N 3.32Å; F341-E343 PolarHBondContact O-N 3.36Å; E343-V345 VanDerWaalsContact C-N 3.33Å; E343-V345 PolarHBondContact O-N 3.02Å; E343-R346 WeakPolarHBondContact O-CB 3.41Å; E343-R346 PolarHBondContact O-N 3.08Å; E343-R346 VanDerWaalsContact O-N 3.14Å; E343-Q347 WeakPolarHBondContact O-CG 3.48Å; E343-Q347 PolarHBondContact O-N 3.3Å; E343-V386 HydrophobicContact CB-CG1 3.85Å; E343-V386 HydrophobicContact CG-CG1 4.14Å
344	G	98	Very high	96.1	Very high	10 Å²	10	51.3 Å²	51.3	10%	0.103	25%	0.25	C	C	.	.	H	α-helix	trans	-60.4	-41.6	175.9	0	0	0	0	0	112.6	Y287 K340 F341 Q347 E348	Y287-G344 WeakPolarHBondContact OH-CA 3.45Å; K340-G344 PolarHBondContact O-N 2.86Å; F341-G344 PolarHBondContact O-N 3.36Å; G344-Q347 WeakPolarHBondContact O-CB 3.28Å; G344-Q347 PolarHBondContact O-N 3.31Å; G344-E348 PolarHBondContact O-N 2.69Å; G344-E348 VanDerWaalsContact O-N 3.1Å
345	V	98.4	Very high	96.4	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-60.6	-45.6	172	170.8	0	0	0	0	111.3	Y287 I290 I301 L303 F341 V342 E343 Q347 E348 I349 L362	Y287-V345 HydrophobicContact CE1-CG2 4.13Å; I290-V345 HydrophobicContact CD1-CB 4.36Å; I290-V345 HydrophobicContact CD1-CG1 3.76Å; I290-V345 HydrophobicContact CD1-CG2 4.08Å; I301-V345 HydrophobicContact CD1-CG1 3.78Å; L303-V345 HydrophobicContact CD1-CB 4.4Å; L303-V345 HydrophobicContact CD1-CG1 4.13Å; L303-V345 HydrophobicContact CD1-CG2 4.37Å; L303-V345 HydrophobicContact CD2-CG1 4.5Å; F341-V345 HydrophobicContact CE1-CG2 4.4Å; F341-V345 HydrophobicContact CE2-CG2 4.24Å; F341-V345 HydrophobicContact CZ-CG2 4.05Å; F341-V345 PolarHBondContact O-N 3.21Å; F341-V345 VanDerWaalsContact O-N 3.1Å; V342-V345 WeakPolarHBondContact O-CB 3.45Å; V342-V345 PolarHBondContact O-N 3.18Å; E343-V345 VanDerWaalsContact C-N 3.33Å; E343-V345 PolarHBondContact O-N 3.02Å; V345-Q347 VanDerWaalsContact C-N 3.29Å; V345-Q347 PolarHBondContact O-N 2.83Å; V345-E348 WeakPolarHBondContact O-CB 3.49Å; V345-E348 PolarHBondContact O-N 3.1Å; V345-E348 VanDerWaalsContact O-N 3.13Å; V345-I349 HydrophobicContact CG1-CD1 4.04Å; V345-I349 WeakPolarHBondContact O-CG1 3.49Å; V345-I349 PolarHBondContact O-N 3.07Å; V345-L362 HydrophobicContact CG1-CD1 3.84Å; V345-L362 HydrophobicContact CG1-CD2 4.22Å
346	R	98.4	Very high	96.5	Very high	24 Å²	24	58.9 Å²	58.9	9%	0.091	29%	0.29	C	S	.	.	H	α-helix	trans	-59.7	-39.5	177.4	-175.7	60.9	-87.7	179.7	-7.8	111.9	V342 E343 I349 N350 K360 L362 V386 D388	V342-R346 PolarHBondContact O-N 3.43Å; E343-R346 WeakPolarHBondContact O-CB 3.41Å; E343-R346 PolarHBondContact O-N 3.08Å; E343-R346 VanDerWaalsContact O-N 3.14Å; R346-I349 VanDerWaalsContact NH2-CB 3.28Å; R346-I349 PolarHBondContact O-N 2.97Å; R346-N350 VanDerWaalsContact CZ-OD1 3.26Å; R346-N350 PolarHBondContact NE-OD1 2.86Å; R346-N350 PolarHBondContact NH2-OD1 3.03Å; R346-N350 WeakPolarHBondContact O-CB 3.46Å; R346-N350 PolarHBondContact O-N 2.73Å; R346-N350 PolarHBondContact O-ND2 3.09Å; R346-N350 PolarHBondContact O-OD1 2.83Å; R346-K360 PolarHBondContact NH1-O 3.36Å; R346-K360 VanDerWaalsContact NH1-O 3.07Å; R346-L362 HydrophobicContact CB-CD2 3.67Å; R346-L362 HydrophobicContact CG-CD2 4.31Å; R346-V386 WeakPolarHBondContact CD-O 3.5Å; R346-V386 WeakPolarHBondContact CG-O 3.17Å; R346-D388 IonicContact CZ-OD2 3.64Å; R346-D388 IonicContact NH1-OD2 2.94Å; R346-D388 PolarHBondContact NH1-OD2 2.91Å
347	Q	97.9	Very high	96.8	Very high	109 Å²	109	58 Å²	58	51%	0.509	30%	0.295	S	S	.	.	H	α-helix	trans	-63.2	-41	175.6	-70.3	175.5	11	0	0	111.8	E343 G344 V345 N350 K351	E343-Q347 WeakPolarHBondContact O-CG 3.48Å; E343-Q347 PolarHBondContact O-N 3.3Å; G344-Q347 WeakPolarHBondContact O-CB 3.28Å; G344-Q347 PolarHBondContact O-N 3.31Å; V345-Q347 VanDerWaalsContact C-N 3.29Å; V345-Q347 PolarHBondContact O-N 2.83Å; Q347-N350 WeakPolarHBondContact O-CB 3.31Å; Q347-N350 PolarHBondContact O-N 3.23Å; Q347-K351 PolarHBondContact O-N 2.99Å
348	E	97.6	Very high	96.8	Very high	24 Å²	24	62.6 Å²	62.6	11%	0.112	31%	0.31	C	S	.	.	H	α-helix	trans	-63	-45.6	176	-167.6	57.1	-145	0	0	111.6	Y287 I290 G344 V345 N350 K351	Y287-E348 HydrophobicContact CD1-CB 4.27Å; Y287-E348 HydrophobicContact CD1-CG 4.42Å; Y287-E348 HydrophobicContact CG-CB 4.47Å; Y287-E348 HydrophobicContact CG-CG 4.27Å; I290-E348 HydrophobicContact CG2-CG 4.29Å; G344-E348 PolarHBondContact O-N 2.69Å; G344-E348 VanDerWaalsContact O-N 3.1Å; V345-E348 WeakPolarHBondContact O-CB 3.49Å; V345-E348 PolarHBondContact O-N 3.1Å; V345-E348 VanDerWaalsContact O-N 3.13Å; E348-N350 VanDerWaalsContact C-N 3.28Å; E348-N350 PolarHBondContact O-N 2.79Å; E348-K351 WeakPolarHBondContact O-CB 3.44Å; E348-K351 PolarHBondContact O-N 3.25Å; E348-K351 IonicContact OE1-NZ 3.89Å; E348-K351 WeakPolarHBondContact OE2-CE 3.41Å; E348-K351 IonicContact OE2-NZ 2.67Å; E348-K351 PolarHBondContact OE2-NZ 3.08Å
349	I	98.2	Very high	96.9	Very high	0 Å²	0	66.2 Å²	66.2	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-65.2	-32.9	176.2	-56.3	173.1	0	0	0	111.1	I290 M294 I301 V345 R346 K351 W352 I353 K360 L362	I290-I349 HydrophobicContact CG2-CG1 4.16Å; M294-I349 HydrophobicContact CE-CD1 4.34Å; M294-I349 HydrophobicContact CE-CG1 4.04Å; M294-I349 HydrophobicContact CE-CG2 4.04Å; I301-I349 HydrophobicContact CD1-CD1 3.84Å; I301-I349 HydrophobicContact CG1-CD1 3.89Å; V345-I349 HydrophobicContact CG1-CD1 4.04Å; V345-I349 WeakPolarHBondContact O-CG1 3.49Å; V345-I349 PolarHBondContact O-N 3.07Å; R346-I349 VanDerWaalsContact NH2-CB 3.28Å; R346-I349 PolarHBondContact O-N 2.97Å; I349-K351 VanDerWaalsContact C-N 3.27Å; I349-K351 PolarHBondContact O-N 3.42Å; I349-W352 WeakPolarHBondContact O-CB 3.34Å; I349-W352 PolarHBondContact O-N 3.48Å; I349-W352 VanDerWaalsContact O-N 3.13Å; I349-I353 WeakPolarHBondContact O-CG1 3.23Å; I349-I353 PolarHBondContact O-N 3.41Å; I349-K360 HydrophobicContact CG2-CB 3.32Å; I349-K360 HydrophobicContact CG2-CG 4.09Å; I349-L362 HydrophobicContact CD1-CB 3.95Å; I349-L362 HydrophobicContact CD1-CD1 3.9Å; I349-L362 HydrophobicContact CD1-CD2 4.4Å; I349-L362 HydrophobicContact CD1-CG 4.3Å
350	N	97.8	Very high	96.9	Very high	76 Å²	76	64.9 Å²	64.9	41%	0.406	32%	0.318	S	S	.	.	H	α-helix	trans	-63.4	-31.1	176.7	-74.4	-15.2	0	0	0	113.1	R346 Q347 E348 W352 I353 K354	R346-N350 VanDerWaalsContact CZ-OD1 3.26Å; R346-N350 PolarHBondContact NE-OD1 2.86Å; R346-N350 PolarHBondContact NH2-OD1 3.03Å; R346-N350 WeakPolarHBondContact O-CB 3.46Å; R346-N350 PolarHBondContact O-N 2.73Å; R346-N350 PolarHBondContact O-ND2 3.09Å; R346-N350 PolarHBondContact O-OD1 2.83Å; Q347-N350 WeakPolarHBondContact O-CB 3.31Å; Q347-N350 PolarHBondContact O-N 3.23Å; E348-N350 VanDerWaalsContact C-N 3.28Å; E348-N350 PolarHBondContact O-N 2.79Å; N350-W352 VanDerWaalsContact C-N 3.33Å; N350-I353 PolarHBondContact O-N 3.11Å; N350-K354 WeakPolarHBondContact O-CB 2.87Å; N350-K354 PolarHBondContact O-N 2.85Å
351	K	97.2	Very high	97	Very high	113 Å²	113	59.4 Å²	59.4	49%	0.491	29%	0.294	S	S	.	.	H	α-helix	trans	-59.8	-46.9	172.2	-62	172.1	-174.2	167.8	0	110.3	Q347 E348 I349 I353 K354 E355	Q347-K351 PolarHBondContact O-N 2.99Å; E348-K351 WeakPolarHBondContact O-CB 3.44Å; E348-K351 PolarHBondContact O-N 3.25Å; E348-K351 IonicContact OE1-NZ 3.89Å; E348-K351 WeakPolarHBondContact OE2-CE 3.41Å; E348-K351 IonicContact OE2-NZ 2.67Å; E348-K351 PolarHBondContact OE2-NZ 3.08Å; I349-K351 VanDerWaalsContact C-N 3.27Å; I349-K351 PolarHBondContact O-N 3.42Å; K351-I353 PolarHBondContact O-N 3.15Å; K351-K354 WeakPolarHBondContact O-CB 3.19Å; K351-K354 PolarHBondContact O-N 3.4Å; K351-E355 WeakPolarHBondContact O-CG 3.47Å; K351-E355 PolarHBondContact O-N 3.17Å
352	W	96.6	Very high	97.1	Very high	38 Å²	38	59.3 Å²	59.3	14%	0.144	29%	0.293	C	S	.	.	H	α-helix	trans	-62.1	-41.2	176	-82.3	95.2	0	0	0	114	D291 M294 K295 I349 N350 K354 E355 S356	D291-W352 WeakPolarHBondContact OD1-CZ2 3.39Å; M294-W352 HydrophobicContact CB-CD2 3.54Å; M294-W352 HydrophobicContact CB-CE3 4.06Å; M294-W352 HydrophobicContact CB-CG 3.9Å; M294-W352 HydrophobicContact CB-CH2 4.3Å; M294-W352 HydrophobicContact CB-CZ2 3.8Å; M294-W352 HydrophobicContact CB-CZ3 4.41Å; M294-W352 HydrophobicContact CG-CD2 4.26Å; M294-W352 HydrophobicContact CG-CG 4.08Å; K295-W352 HydrophobicContact CB-CH2 4.2Å; K295-W352 HydrophobicContact CD-CZ2 4.44Å; K295-W352 HydrophobicContact CG-CH2 3.39Å; K295-W352 HydrophobicContact CG-CZ2 3.58Å; I349-W352 WeakPolarHBondContact O-CB 3.34Å; I349-W352 PolarHBondContact O-N 3.48Å; I349-W352 VanDerWaalsContact O-N 3.13Å; N350-W352 VanDerWaalsContact C-N 3.33Å; W352-K354 VanDerWaalsContact C-N 3.32Å; W352-E355 PolarHBondContact O-N 3.37Å; W352-S356 VanDerWaalsContact O-CB 3.3Å; W352-S356 WeakPolarHBondContact O-CB 2.89Å; W352-S356 PolarHBondContact O-N 3.12Å; W352-S356 PolarHBondContact O-OG 3.3Å
353	I	97.2	Very high	97.1	Very high	53 Å²	53	59.3 Å²	59.3	27%	0.272	29%	0.293	S	S	.	.	H	α-helix	trans	-61.2	-45.1	175.6	-66.1	-179.1	0	0	0	110.1	I349 N350 K351 E355 G357 K360	I349-I353 WeakPolarHBondContact O-CG1 3.23Å; I349-I353 PolarHBondContact O-N 3.41Å; N350-I353 PolarHBondContact O-N 3.11Å; K351-I353 PolarHBondContact O-N 3.15Å; I353-E355 PolarHBondContact O-N 2.74Å; I353-G357 VanDerWaalsContact O-CA 3.3Å; I353-G357 WeakPolarHBondContact O-CA 3.32Å; I353-G357 PolarHBondContact O-N 3Å; I353-K360 HydrophobicContact CD1-CB 4.13Å; I353-K360 HydrophobicContact CG1-CB 3.87Å; I353-K360 HydrophobicContact CG1-CG 3.86Å
354	K	97.2	Very high	97.1	Very high	187 Å²	187	55 Å²	55	81%	0.813	27%	0.273	S	S	*	.	H	α-helix	trans	-63.2	-41.3	179.8	-174.7	-178.7	177.8	-176.7	0	112.3	N350 K351 W352	N350-K354 WeakPolarHBondContact O-CB 2.87Å; N350-K354 PolarHBondContact O-N 2.85Å; K351-K354 WeakPolarHBondContact O-CB 3.19Å; K351-K354 PolarHBondContact O-N 3.4Å; W352-K354 VanDerWaalsContact C-N 3.32Å
355	E	94.6	Very high	97.1	Very high	151 Å²	151	54.5 Å²	54.5	71%	0.706	27%	0.268	S	S	*	.	H	α-helix	trans	-74.9	-43.6	-178.7	-72	176.2	-173.2	0	0	112.9	K351 W352 I353	K351-E355 WeakPolarHBondContact O-CG 3.47Å; K351-E355 PolarHBondContact O-N 3.17Å; W352-E355 PolarHBondContact O-N 3.37Å; I353-E355 PolarHBondContact O-N 2.74Å
356	S	93.6	Very high	97	Very high	49 Å²	49	54.5 Å²	54.5	34%	0.343	27%	0.268	S	S	.	.	H	α-helix	trans	-88.9	-20.6	-174.7	68.7	0	0	0	0	114.2	W352 R358	W352-S356 VanDerWaalsContact O-CB 3.3Å; W352-S356 WeakPolarHBondContact O-CB 2.89Å; W352-S356 PolarHBondContact O-N 3.12Å; W352-S356 PolarHBondContact O-OG 3.3Å; S356-R358 PolarHBondContact O-N 2.6Å; S356-R358 PolarHBondContact OG-N 3.27Å
357	G	94.3	Very high	96.7	Very high	71 Å²	71	53.5 Å²	53.5	73%	0.732	27%	0.265	S	S	*	.			trans	65.7	11.7	-170	0	0	0	0	0	113.9	I353	I353-G357 VanDerWaalsContact O-CA 3.3Å; I353-G357 WeakPolarHBondContact O-CA 3.32Å; I353-G357 PolarHBondContact O-N 3Å
358	R	94.3	Very high	96.2	Very high	164 Å²	164	48.4 Å²	48.4	62%	0.619	24%	0.242	S	C	*	.			trans	-105.7	142.6	-177.7	-62.7	179.6	-177.6	-178.6	1.5	110.5	S356	S356-R358 PolarHBondContact O-N 2.6Å; S356-R358 PolarHBondContact OG-N 3.27Å
359	E	96.1	Very high	95.8	Very high	77 Å²	77	47.4 Å²	47.4	36%	0.36	24%	0.237	S	C	.	.			trans	-63.9	140.9	173.3	-61.3	171.7	163.9	0	0	110.4	P119 F120 W121	P119-E359 VanDerWaalsContact CA-OE2 3.27Å; P119-E359 WeakPolarHBondContact CA-OE2 3.36Å; F120-E359 PolarHBondContact N-OE2 3.16Å; W121-E359 HydrophobicContact CH2-CB 4.18Å; W121-E359 HydrophobicContact CZ3-CB 3.96Å
360	K	98.2	Very high	95.2	Very high	9 Å²	9	47.4 Å²	47.4	4%	0.039	24%	0.237	C	C	.	.			trans	-135.6	119.4	176.7	-62	-65	-173.4	176.6	0	110	M294 I298 D299 R346 I349 I353	M294-K360 HydrophobicContact SD-CD 3.79Å; M294-K360 HydrophobicContact SD-CG 4.26Å; I298-K360 PolarHBondContact O-NZ 3.06Å; D299-K360 VanDerWaalsContact O-CA 3.3Å; D299-K360 WeakPolarHBondContact O-CA 3.46Å; R346-K360 PolarHBondContact NH1-O 3.36Å; R346-K360 VanDerWaalsContact NH1-O 3.07Å; I349-K360 HydrophobicContact CG2-CB 3.32Å; I349-K360 HydrophobicContact CG2-CG 4.09Å; I353-K360 HydrophobicContact CD1-CB 4.13Å; I353-K360 HydrophobicContact CG1-CB 3.87Å; I353-K360 HydrophobicContact CG1-CG 3.86Å
361	L	98.6	Very high	94.6	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	132.3	-178.6	177.9	69.4	0	0	0	110.9	F120 W121 I215 D299 G300 I301 A363 D388 L389	F120-L361 HydrophobicContact CZ-CB 3.97Å; W121-L361 HydrophobicContact CB-CD1 4.08Å; W121-L361 HydrophobicContact CB-CD2 4.43Å; W121-L361 HydrophobicContact CD2-CB 4.34Å; W121-L361 HydrophobicContact CD2-CD1 3.51Å; W121-L361 HydrophobicContact CD2-CG 4.44Å; W121-L361 HydrophobicContact CE3-CB 3.78Å; W121-L361 HydrophobicContact CE3-CD1 3.87Å; W121-L361 HydrophobicContact CE3-CG 4.35Å; W121-L361 HydrophobicContact CG-CD1 3.62Å; W121-L361 HydrophobicContact CZ2-CD1 4.41Å; W121-L361 HydrophobicContact CZ3-CB 3.94Å; W121-L361 HydrophobicContact CZ3-CD1 4.45Å; I215-L361 HydrophobicContact CG1-CD2 3.8Å; D299-L361 PolarHBondContact O-N 2.99Å; G300-L361 CarbonylContact C-O 3.58Å; G300-L361 WeakPolarHBondContact CA-O 3.45Å; I301-L361 PolarHBondContact N-O 2.92Å; L361-A363 HydrophobicContact CD2-CB 4.2Å; L361-A363 HydrophobicContact CG-CB 4.32Å; L361-D388 HydrophobicContact CD1-CB 3.61Å; L361-L389 HydrophobicContact CD1-CB 4.01Å
362	L	98.8	Very high	94.1	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	108.2	159	179.4	57.6	0	0	0	109.6	I301 L303 V342 V345 R346 I349 D388 L389	I301-L362 HydrophobicContact CD1-CD1 4.04Å; I301-L362 HydrophobicContact CG1-CD1 3.71Å; L303-L362 HydrophobicContact CD1-CD1 3.9Å; L303-L362 HydrophobicContact CG-CD1 3.87Å; V342-L362 HydrophobicContact CG1-CD2 4Å; V345-L362 HydrophobicContact CG1-CD1 3.84Å; V345-L362 HydrophobicContact CG1-CD2 4.22Å; R346-L362 HydrophobicContact CB-CD2 3.67Å; R346-L362 HydrophobicContact CG-CD2 4.31Å; I349-L362 HydrophobicContact CD1-CB 3.95Å; I349-L362 HydrophobicContact CD1-CD1 3.9Å; I349-L362 HydrophobicContact CD1-CD2 4.4Å; I349-L362 HydrophobicContact CD1-CG 4.3Å; L362-D388 PolarHBondContact N-OD2 3.02Å; L362-D388 WeakPolarHBondContact O-CB 3.37Å; L362-D388 PolarHBondContact O-N 3.15Å; L362-L389 PolarHBondContact O-N 2.03Å
363	A	98.8	Very high	93.6	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	153.2	174.2	0	0	0	0	0	111.2	I301 L302 L303 L361 L389	I301-A363 PolarHBondContact O-N 3.44Å; L302-A363 CarbonylContact C-O 3.53Å; L302-A363 WeakPolarHBondContact CA-O 3.43Å; L302-A363 HydrophobicContact CB-CB 4.04Å; L302-A363 HydrophobicContact CD1-CB 4.11Å; L302-A363 HydrophobicContact CG-CB 4.06Å; L303-A363 PolarHBondContact N-O 3.02Å; L361-A363 HydrophobicContact CD2-CB 4.2Å; L361-A363 HydrophobicContact CG-CB 4.32Å; A363-L389 CarbonylContact C-O 3.57Å; A363-L389 VanDerWaalsContact CA-O 3.25Å; A363-L389 WeakPolarHBondContact CA-O 3Å; A363-L389 HydrophobicContact CB-CB 4.08Å; A363-L389 HydrophobicContact CB-CD2 3.94Å
364	V	98.5	Very high	93	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	137.4	173.2	-66.3	0	0	0	0	110.3	L303 A306 V342 M380 F383 A387 L389 M390 V391	L303-V364 HydrophobicContact CB-CG1 4.27Å; L303-V364 HydrophobicContact CD1-CG1 4.39Å; L303-V364 WeakPolarHBondContact O-CA 3.13Å; A306-V364 HydrophobicContact CB-CB 4.17Å; V342-V364 HydrophobicContact CG1-CG1 4.11Å; V342-V364 HydrophobicContact CG2-CG1 4.45Å; V364-M380 HydrophobicContact CB-CE 3.74Å; V364-M380 HydrophobicContact CG2-CE 3.35Å; V364-F383 HydrophobicContact CG2-CB 3.97Å; V364-F383 HydrophobicContact CG2-CD2 4.13Å; V364-F383 HydrophobicContact CG2-CG 4.2Å; V364-A387 HydrophobicContact CG1-CB 4.07Å; V364-A387 HydrophobicContact CG2-CB 3.84Å; V364-L389 PolarHBondContact N-O 3.39Å; V364-M390 HydrophobicContact CG2-CB 4.11Å; V364-M390 HydrophobicContact CG2-CG 3.76Å; V364-V391 PolarHBondContact O-N 2.86Å
365	N	97.8	Very high	92.5	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	17%	0.169	C	C	.	.			trans	-121.7	138.1	172.2	-179.2	46.8	0	0	0	109.5	W128 L302 L303 D304 N305 A306 G367 V391	W128-N365 HydrophobicContact CH2-CB 4.2Å; L302-N365 HydrophobicContact CD1-CB 4.39Å; L302-N365 HydrophobicContact CD2-CB 3.82Å; L302-N365 HydrophobicContact CG-CB 4.41Å; L303-N365 PolarHBondContact O-N 3.32Å; D304-N365 PolarHBondContact OD1-ND2 3.18Å; N305-N365 PolarHBondContact N-O 3.2Å; A306-N365 VanDerWaalsContact CB-O 3.25Å; A306-N365 WeakPolarHBondContact CB-O 3.37Å; A306-N365 PolarHBondContact N-O 2.72Å; N365-G367 PolarHBondContact ND2-N 3.47Å; N365-G367 PolarHBondContact O-N 3.09Å; N365-V391 HydrophobicContact CB-CB 4.19Å; N365-V391 HydrophobicContact CB-CG2 4.04Å; N365-V391 WeakPolarHBondContact OD1-CB 3.34Å; N365-V391 WeakPolarHBondContact OD1-CG1 3.34Å
366	S	95.1	Very high	92.2	Very high	0 Å²	0	28 Å²	28	0%	0	17%	0.166	C	C	.	.			trans	-62.6	-28.6	179.6	58.7	0	0	0	0	112.7	N305 A307 Y334 R393	N305-S366 WeakPolarHBondContact CA-O 3.25Å; A307-S366 WeakPolarHBondContact CB-O 3.38Å; A307-S366 PolarHBondContact N-O 2.84Å; Y334-S366 VanDerWaalsContact OH-CB 3.26Å; Y334-S366 WeakPolarHBondContact OH-CB 3.43Å; S366-R393 VanDerWaalsContact OG-CD 3.29Å; S366-R393 WeakPolarHBondContact OG-CD 3.29Å
367	G	92.4	Very high	91.9	Very high	2 Å²	2	29.5 Å²	29.5	2%	0.021	18%	0.175	C	C	.	.			trans	73.7	-172.6	-163.1	0	0	0	0	0	112.5	N305 N365 T369	N305-G367 VanDerWaalsContact OD1-CA 3.28Å; N305-G367 WeakPolarHBondContact OD1-CA 3.29Å; N365-G367 PolarHBondContact ND2-N 3.47Å; N365-G367 PolarHBondContact O-N 3.09Å; G367-T369 PolarHBondContact O-N 3.12Å; G367-T369 VanDerWaalsContact O-N 3.14Å
368	D	87.8	Confident	91.8	Very high	3 Å²	3	26.2 Å²	26.2	2%	0.016	14%	0.14	C	C	.	.			trans	-84.2	86.2	178.4	170.7	28.9	0	0	0	111.9	R250 F308 G370 N435	R250-D368 WeakPolarHBondContact CD-O 3.49Å; R250-D368 IonicContact CZ-OD1 3.88Å; R250-D368 IonicContact CZ-OD2 3.88Å; R250-D368 PolarHBondContact NE-O 2.87Å; R250-D368 IonicContact NE-OD1 3.85Å; R250-D368 IonicContact NE-OD2 2.81Å; R250-D368 IonicContact NH2-OD1 2.7Å; R250-D368 PolarHBondContact NH2-OD1 3.12Å; R250-D368 IonicContact NH2-OD2 2.7Å; R250-D368 PolarHBondContact NH2-OD2 3.17Å; F308-D368 WeakPolarHBondContact CZ-O 3.36Å; D368-G370 VanDerWaalsContact C-N 3.26Å; D368-G370 WeakPolarHBondContact OD1-CA 3.47Å; D368-G370 PolarHBondContact OD1-N 2.91Å; D368-N435 HydrophobicContact CB-CB 3.51Å; D368-N435 PolarHBondContact N-ND2 3.15Å
369	T	89	Confident	91.8	Very high	2 Å²	2	20.9 Å²	20.9	1%	0.012	13%	0.127	C	C	.	.			trans	-72.7	-18.2	169.7	64.7	0	0	0	0	113.3	A307 F308 W324 I333 Y334 G367 C371 R393	A307-T369 HydrophobicContact CB-CG2 3.48Å; A307-T369 VanDerWaalsContact CB-CG2 3.48Å; F308-T369 HydrophobicContact CE2-CG2 4.32Å; F308-T369 HydrophobicContact CZ-CG2 4.01Å; W324-T369 PolarHBondContact NE1-O 2.84Å; I333-T369 HydrophobicContact CG2-CG2 4.33Å; Y334-T369 HydrophobicContact CE2-CG2 4.42Å; G367-T369 PolarHBondContact O-N 3.12Å; G367-T369 VanDerWaalsContact O-N 3.14Å; T369-C371 PolarHBondContact O-N 3.24Å; T369-C371 PolarHBondContact O-SG 2.89Å; T369-C371 PolarHBondContact OG1-N 3.18Å; T369-C371 PolarHBondContact OG1-O 3.22Å; T369-R393 PolarHBondContact OG1-NH1 3.5Å
370	G	86.3	Confident	91.7	Very high	1 Å²	1	17.2 Å²	17.2	1%	0.01	11%	0.109	C	C	.	.	S	Bend	trans	63.3	-6.8	-166.4	0	0	0	0	0	115.6	R250 D368 E401 S402	R250-G370 VanDerWaalsContact NH2-CA 3.3Å; D368-G370 VanDerWaalsContact C-N 3.26Å; D368-G370 WeakPolarHBondContact OD1-CA 3.47Å; D368-G370 PolarHBondContact OD1-N 2.91Å; G370-E401 WeakPolarHBondContact O-CA 3.45Å; G370-S402 WeakPolarHBondContact CA-OG 3.14Å; G370-S402 PolarHBondContact O-N 2.9Å
371	C	85.1	Confident	91.6	Very high	8 Å²	8	18.1 Å²	18.1	5%	0.054	12%	0.115	C	C	.	.			trans	-105	96.4	-174.6	-68.6	0	0	0	0	108.6	C328 T369 R393	C328-C371 WeakPolarHBondContact CA-SG 3.48Å; C328-C371 HydrophobicContact CB-CB 3.66Å; C328-C371 WeakPolarHBondContact CB-SG 3.36Å; C328-C371 WeakPolarHBondContact SG-CA 3.37Å; C328-C371 WeakPolarHBondContact SG-CB 3.45Å; C328-C371 CovalentContact SG-SG 2.03Å; C328-C371 PolarHBondContact SG-SG 2.98Å; T369-C371 PolarHBondContact O-N 3.24Å; T369-C371 PolarHBondContact O-SG 2.89Å; T369-C371 PolarHBondContact OG1-N 3.18Å; T369-C371 PolarHBondContact OG1-O 3.22Å; C371-R393 PolarHBondContact O-NH1 3.35Å
372	G	85.5	Confident	91.4	Very high	22 Å²	22	20.4 Å²	20.4	23%	0.227	13%	0.126	C	C	.	.			trans	-60	162.7	-180	0	0	0	0	0	112.1	G374 R399	G372-G374 PolarHBondContact O-N 2.98Å; G372-R399 CarbonylContact C-O 3.47Å; G372-R399 WeakPolarHBondContact CA-O 3.15Å
373	V	87.2	Confident	91.3	Very high	8 Å²	8	20.4 Å²	20.4	5%	0.048	13%	0.126	C	C	.	.			trans	-76.9	-8.5	179.6	-69.1	0	0	0	0	113.7	D375 N376 D378 R393 R399	V373-D375 PolarHBondContact O-N 2.74Å; V373-N376 PolarHBondContact O-N 3.38Å; V373-D378 HydrophobicContact CG1-CB 4.05Å; V373-R393 HydrophobicContact CG1-CB 4.14Å; V373-R393 HydrophobicContact CG2-CB 4.44Å; V373-R399 HydrophobicContact CG2-CB 3.73Å; V373-R399 HydrophobicContact CG2-CG 4.41Å; V373-R399 PolarHBondContact N-O 3.14Å
374	G	85.2	Confident	91.2	Very high	17 Å²	17	25.7 Å²	25.7	18%	0.175	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	53	-135.8	-177.6	0	0	0	0	0	112.1	G372 R399 K415	G372-G374 PolarHBondContact O-N 2.98Å; G374-R399 WeakPolarHBondContact O-CD 3.29Å; G374-R399 PolarHBondContact O-NH1 3.07Å; G374-K415 WeakPolarHBondContact O-CE 3.44Å; G374-K415 PolarHBondContact O-NZ 3.05Å
375	D	86	Confident	91.1	Very high	35 Å²	35	31.8 Å²	31.8	19%	0.187	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.5	0.2	171.5	-72.1	-40.1	0	0	0	114	V373 R399 N409 K410	V373-D375 PolarHBondContact O-N 2.74Å; D375-R399 IonicContact OD1-NH1 2.84Å; D375-R399 PolarHBondContact OD1-NH1 2.68Å; D375-N409 VanDerWaalsContact OD2-CB 3.27Å; D375-N409 WeakPolarHBondContact OD2-CB 3.29Å; D375-N409 PolarHBondContact OD2-N 2.9Å; D375-N409 PolarHBondContact OD2-ND2 2.74Å; D375-K410 PolarHBondContact OD1-N 3.31Å
376	N	87	Confident	91.1	Very high	121 Å²	121	32.6 Å²	32.6	65%	0.647	18%	0.183	S	C	*	.	S	Bend	trans	-79.5	155	178.9	-67.1	-36.4	0	0	0	111.1	V373 K415	V373-N376 PolarHBondContact O-N 3.38Å; N376-K415 WeakPolarHBondContact O-CE 3.38Å; N376-K415 PolarHBondContact O-NZ 3.2Å
377	P	89.3	Confident	91.2	Very high	80 Å²	80	32.6 Å²	32.6	52%	0.519	18%	0.184	S	C	.	.	P	Polyproline II helix	trans	-55.1	141.1	169.5	-22.6	33.4	0	0	0	110.9	P379 L381 Y419	P377-P379 VanDerWaalsContact O-CD 3.23Å; P377-P379 WeakPolarHBondContact O-CD 3.48Å; P377-L381 HydrophobicContact CB-CD1 4.13Å; P377-Y419 HydrophobicContact CB-CE1 4.33Å
378	D	91.9	Very high	91.5	Very high	2 Å²	2	34.4 Å²	34.4	1%	0.011	19%	0.193	C	C	.	.	P	Polyproline II helix	trans	-60.3	119.8	179.1	-163.8	-24.9	0	0	0	110.1	V373 M380 L381 R393 Y419	V373-D378 HydrophobicContact CG1-CB 4.05Å; D378-M380 PolarHBondContact O-N 2.77Å; D378-M380 WeakPolarHBondContact OD1-CG 3.5Å; D378-M380 PolarHBondContact OD1-N 3.09Å; D378-L381 WeakPolarHBondContact O-CB 3.3Å; D378-L381 WeakPolarHBondContact O-CG 3.45Å; D378-L381 PolarHBondContact O-N 3.1Å; D378-R393 IonicContact OD1-CZ 3.33Å; D378-R393 IonicContact OD1-NE 2.88Å; D378-R393 IonicContact OD1-NH2 2.67Å; D378-R393 PolarHBondContact OD1-NH2 2.8Å; D378-R393 PolarHBondContact OD2-N 3.03Å; D378-R393 VanDerWaalsContact OD2-N 3.12Å; D378-R393 IonicContact OD2-NE 3.76Å; D378-Y419 PolarHBondContact N-OH 2.83Å
379	P	92.8	Very high	92	Very high	51 Å²	51	34.2 Å²	34.2	33%	0.331	19%	0.192	S	C	.	.	G	3₁₀ helix	trans	-52.5	-23.6	176.2	-29.6	34.8	0	0	0	114.5	Y334 P377 L381 M382	Y334-P379 HydrophobicContact CD1-CB 3.73Å; Y334-P379 HydrophobicContact CD2-CB 3.63Å; Y334-P379 HydrophobicContact CD2-CG 4.13Å; Y334-P379 HydrophobicContact CE1-CB 3.85Å; Y334-P379 HydrophobicContact CE2-CB 3.76Å; Y334-P379 HydrophobicContact CE2-CG 4.02Å; Y334-P379 HydrophobicContact CG-CB 3.63Å; P377-P379 VanDerWaalsContact O-CD 3.23Å; P377-P379 WeakPolarHBondContact O-CD 3.48Å; P379-L381 PolarHBondContact O-N 2.79Å; P379-M382 VanDerWaalsContact O-CG 3.31Å; P379-M382 WeakPolarHBondContact O-CG 3.35Å; P379-M382 PolarHBondContact O-N 2.93Å
380	M	94.9	Very high	92.4	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-55.4	-21.8	173.5	-72.3	-59	-63.4	0	0	113.6	A306 Y334 V364 D378 M382 F383 M390	A306-M380 HydrophobicContact CB-CE 4.38Å; Y334-M380 HydrophobicContact CE1-CG 4.28Å; Y334-M380 HydrophobicContact CE1-SD 3.73Å; V364-M380 HydrophobicContact CB-CE 3.74Å; V364-M380 HydrophobicContact CG2-CE 3.35Å; D378-M380 PolarHBondContact O-N 2.77Å; D378-M380 WeakPolarHBondContact OD1-CG 3.5Å; D378-M380 PolarHBondContact OD1-N 3.09Å; M380-M382 PolarHBondContact O-N 2.89Å; M380-F383 HydrophobicContact CE-CD2 3.69Å; M380-F383 HydrophobicContact CE-CE2 3.98Å; M380-F383 WeakPolarHBondContact O-CD2 3.41Å; M380-F383 PolarHBondContact O-N 3.36Å; M380-F383 HydrophobicContact SD-CD2 4.09Å; M380-F383 HydrophobicContact SD-CE2 3.98Å; M380-M390 HydrophobicContact CB-CB 4.45Å
381	L	95.4	Very high	93	Very high	28 Å²	28	34.1 Å²	34.1	15%	0.147	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-55.9	-18.7	173.3	-72.1	-176.8	0	0	0	114	P377 D378 P379 F383 R384 M390 Y419 D423 L427	P377-L381 HydrophobicContact CB-CD1 4.13Å; D378-L381 WeakPolarHBondContact O-CB 3.3Å; D378-L381 WeakPolarHBondContact O-CG 3.45Å; D378-L381 PolarHBondContact O-N 3.1Å; P379-L381 PolarHBondContact O-N 2.79Å; L381-F383 PolarHBondContact O-N 2.82Å; L381-F383 VanDerWaalsContact O-N 3.16Å; L381-R384 VanDerWaalsContact O-CB 3.24Å; L381-R384 WeakPolarHBondContact O-CB 3.48Å; L381-R384 WeakPolarHBondContact O-CG 3.36Å; L381-R384 PolarHBondContact O-N 3.27Å; L381-R384 VanDerWaalsContact O-N 3.07Å; L381-M390 HydrophobicContact CD2-CE 3.96Å; L381-Y419 HydrophobicContact CD1-CD1 3.98Å; L381-Y419 HydrophobicContact CD1-CE1 3.69Å; L381-Y419 HydrophobicContact CD2-CE1 4.48Å; L381-Y419 HydrophobicContact CG-CE1 4.29Å; L381-D423 HydrophobicContact CD2-CB 3.89Å; L381-L427 HydrophobicContact CD2-CD2 4.28Å
382	M	95.2	Very high	93.5	Very high	49 Å²	49	33.7 Å²	33.7	24%	0.241	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-58.3	-24.5	172.4	71.9	-172.7	-69.2	0	0	113.3	Y334 G335 V339 P379 M380	Y334-M382 HydrophobicContact CD1-SD 3.88Å; Y334-M382 HydrophobicContact CG-SD 4.32Å; G335-M382 VanDerWaalsContact O-CE 3.31Å; G335-M382 WeakPolarHBondContact O-CE 3.04Å; V339-M382 HydrophobicContact CG2-CB 4.22Å; V339-M382 HydrophobicContact CG2-CE 3.58Å; V339-M382 HydrophobicContact CG2-CG 4.24Å; V339-M382 WeakPolarHBondContact CG2-O 3.1Å; P379-M382 VanDerWaalsContact O-CG 3.31Å; P379-M382 WeakPolarHBondContact O-CG 3.35Å; P379-M382 PolarHBondContact O-N 2.93Å; M380-M382 PolarHBondContact O-N 2.89Å
383	F	97.3	Very high	93.8	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-91.3	2.5	179.3	-59.5	-67.8	0	0	0	113.7	A306 V339 V342 V364 M380 L381 D385 V386 A387 M390	A306-F383 HydrophobicContact CB-CE2 4.18Å; A306-F383 HydrophobicContact CB-CZ 4.28Å; V339-F383 HydrophobicContact CG2-CD1 4.33Å; V339-F383 HydrophobicContact CG2-CE1 4.35Å; V342-F383 HydrophobicContact CB-CD1 4.11Å; V342-F383 HydrophobicContact CB-CE1 4.29Å; V342-F383 HydrophobicContact CG1-CD1 4.34Å; V342-F383 HydrophobicContact CG2-CD1 3.82Å; V342-F383 HydrophobicContact CG2-CE1 3.61Å; V364-F383 HydrophobicContact CG2-CB 3.97Å; V364-F383 HydrophobicContact CG2-CD2 4.13Å; V364-F383 HydrophobicContact CG2-CG 4.2Å; M380-F383 HydrophobicContact CE-CD2 3.69Å; M380-F383 HydrophobicContact CE-CE2 3.98Å; M380-F383 WeakPolarHBondContact O-CD2 3.41Å; M380-F383 PolarHBondContact O-N 3.36Å; M380-F383 HydrophobicContact SD-CD2 4.09Å; M380-F383 HydrophobicContact SD-CE2 3.98Å; L381-F383 PolarHBondContact O-N 2.82Å; L381-F383 VanDerWaalsContact O-N 3.16Å; F383-D385 PolarHBondContact O-N 3.29Å; F383-V386 HydrophobicContact CB-CG2 4.2Å; F383-V386 HydrophobicContact CD1-CG2 4.25Å; F383-V386 WeakPolarHBondContact O-CG2 3.35Å; F383-V386 PolarHBondContact O-N 3.06Å; F383-A387 HydrophobicContact CB-CB 4.24Å; F383-A387 PolarHBondContact O-N 3.17Å; F383-M390 HydrophobicContact CB-CG 4.36Å; F383-M390 HydrophobicContact CB-SD 4.28Å
384	R	96.1	Very high	94	Very high	110 Å²	110	32.6 Å²	32.6	42%	0.415	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-26.7	-170.8	72.5	-174.5	-177.5	-177.9	-5.6	114.1	L381 M390 D423 K426	L381-R384 VanDerWaalsContact O-CB 3.24Å; L381-R384 WeakPolarHBondContact O-CB 3.48Å; L381-R384 WeakPolarHBondContact O-CG 3.36Å; L381-R384 PolarHBondContact O-N 3.27Å; L381-R384 VanDerWaalsContact O-N 3.07Å; R384-M390 VanDerWaalsContact CA-SD 3.53Å; R384-M390 HydrophobicContact CB-CE 3.95Å; R384-M390 HydrophobicContact CB-SD 3.92Å; R384-M390 PolarHBondContact N-SD 2.78Å; R384-D423 IonicContact NH1-OD1 2.96Å; R384-K426 WeakPolarHBondContact O-CD 3.32Å; R384-K426 WeakPolarHBondContact O-CE 3.22Å; R384-K426 PolarHBondContact O-NZ 3.22Å
385	D	96.1	Very high	94.4	Very high	128 Å²	128	31.8 Å²	31.8	68%	0.684	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.7	-14	-177.2	-64.3	-43.6	0	0	0	112.9	F383	F383-D385 PolarHBondContact O-N 3.29Å
386	V	97.3	Very high	94.7	Very high	17 Å²	17	30.2 Å²	30.2	10%	0.103	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.4	-28.1	-173.4	-63.3	0	0	0	0	113.7	V339 V342 E343 R346 F383	V339-V386 HydrophobicContact CG1-CG1 4.1Å; V339-V386 HydrophobicContact CG1-CG2 4.14Å; V342-V386 HydrophobicContact CB-CG2 4.02Å; V342-V386 HydrophobicContact CG1-CB 4.24Å; V342-V386 HydrophobicContact CG1-CG2 3.6Å; E343-V386 HydrophobicContact CB-CG1 3.85Å; E343-V386 HydrophobicContact CG-CG1 4.14Å; R346-V386 WeakPolarHBondContact CD-O 3.5Å; R346-V386 WeakPolarHBondContact CG-O 3.17Å; F383-V386 HydrophobicContact CB-CG2 4.2Å; F383-V386 HydrophobicContact CD1-CG2 4.25Å; F383-V386 WeakPolarHBondContact O-CG2 3.35Å; F383-V386 PolarHBondContact O-N 3.06Å
387	A	98.2	Very high	94.7	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.008	15%	0.145	C	C	.	.			trans	-98.7	149.6	177.1	0	0	0	0	0	111.9	V364 F383 M390	V364-A387 HydrophobicContact CG1-CB 4.07Å; V364-A387 HydrophobicContact CG2-CB 3.84Å; F383-A387 HydrophobicContact CB-CB 4.24Å; F383-A387 PolarHBondContact O-N 3.17Å; A387-M390 HydrophobicContact CB-CG 4.35Å
388	D	98.3	Very high	94.6	Very high	39 Å²	39	26.3 Å²	26.3	21%	0.209	13%	0.131	C	C	.	.	S	Bend	trans	-85	-27.4	174.9	-63	-63.1	0	0	0	112	W121 R346 L361 L362	W121-D388 HydrophobicContact CZ2-CB 3.92Å; R346-D388 IonicContact CZ-OD2 3.64Å; R346-D388 IonicContact NH1-OD2 2.94Å; R346-D388 PolarHBondContact NH1-OD2 2.91Å; L361-D388 HydrophobicContact CD1-CB 3.61Å; L362-D388 PolarHBondContact N-OD2 3.02Å; L362-D388 WeakPolarHBondContact O-CB 3.37Å; L362-D388 PolarHBondContact O-N 3.15Å
389	L	98.4	Very high	94.4	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	131	-179.8	-175.1	154	0	0	0	110.3	L361 L362 A363 V364 V391 K426 L454 I456	L361-L389 HydrophobicContact CD1-CB 4.01Å; L362-L389 PolarHBondContact O-N 2.03Å; A363-L389 CarbonylContact C-O 3.57Å; A363-L389 VanDerWaalsContact CA-O 3.25Å; A363-L389 WeakPolarHBondContact CA-O 3Å; A363-L389 HydrophobicContact CB-CB 4.08Å; A363-L389 HydrophobicContact CB-CD2 3.94Å; V364-L389 PolarHBondContact N-O 3.39Å; L389-V391 HydrophobicContact CD2-CG2 3.89Å; L389-K426 CarbonylContact C-O 3.52Å; L389-K426 WeakPolarHBondContact CA-O 3.23Å; L389-L454 HydrophobicContact CB-CD1 3.92Å; L389-L454 HydrophobicContact CD1-CB 3.86Å; L389-L454 HydrophobicContact CD1-CD1 3.67Å; L389-L454 HydrophobicContact CD1-CG 4.42Å; L389-L454 HydrophobicContact CG-CB 4.49Å; L389-L454 HydrophobicContact CG-CD1 3.76Å; L389-I456 HydrophobicContact CD1-CD1 3.9Å; L389-I456 HydrophobicContact CD2-CD1 3.86Å
390	M	98	Very high	94.1	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	114.2	173.9	-58.4	168.1	-62.3	0	0	108.4	V364 M380 L381 F383 R384 A387 S392 K426 L427 G428	V364-M390 HydrophobicContact CG2-CB 4.11Å; V364-M390 HydrophobicContact CG2-CG 3.76Å; M380-M390 HydrophobicContact CB-CB 4.45Å; L381-M390 HydrophobicContact CD2-CE 3.96Å; F383-M390 HydrophobicContact CB-CG 4.36Å; F383-M390 HydrophobicContact CB-SD 4.28Å; R384-M390 VanDerWaalsContact CA-SD 3.53Å; R384-M390 HydrophobicContact CB-CE 3.95Å; R384-M390 HydrophobicContact CB-SD 3.92Å; R384-M390 PolarHBondContact N-SD 2.78Å; A387-M390 HydrophobicContact CB-CG 4.35Å; M390-S392 PolarHBondContact O-N 3.4Å; M390-S392 VanDerWaalsContact O-N 3.09Å; M390-K426 HydrophobicContact CE-CB 3.68Å; M390-K426 PolarHBondContact N-O 3.13Å; M390-L427 HydrophobicContact CE-CD2 4.19Å; M390-G428 PolarHBondContact O-N 2.64Å
391	V	97.7	Very high	93.6	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	116.9	178.3	-179.9	0	0	0	0	108.6	W128 L302 V364 N365 L389 T430 T433 I456	W128-V391 HydrophobicContact CZ3-CG1 4.26Å; W128-V391 HydrophobicContact CZ3-CG2 4.22Å; L302-V391 HydrophobicContact CD1-CG2 4.07Å; V364-V391 PolarHBondContact O-N 2.86Å; N365-V391 HydrophobicContact CB-CB 4.19Å; N365-V391 HydrophobicContact CB-CG2 4.04Å; N365-V391 WeakPolarHBondContact OD1-CB 3.34Å; N365-V391 WeakPolarHBondContact OD1-CG1 3.34Å; L389-V391 HydrophobicContact CD2-CG2 3.89Å; V391-T430 HydrophobicContact CG1-CG2 3.88Å; V391-T433 HydrophobicContact CG1-CG2 4.01Å; V391-I456 HydrophobicContact CG2-CD1 4.47Å
392	S	95.4	Very high	92.7	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	135.9	-178.3	-178.6	0	0	0	0	110.1	M390 E394 G428	M390-S392 PolarHBondContact O-N 3.4Å; M390-S392 VanDerWaalsContact O-N 3.09Å; S392-E394 VanDerWaalsContact C-N 3.33Å; S392-E394 VanDerWaalsContact OG-CG 3.23Å; S392-E394 WeakPolarHBondContact OG-CG 3.05Å; S392-E394 PolarHBondContact OG-N 2.9Å; S392-G428 VanDerWaalsContact CB-O 3.29Å; S392-G428 WeakPolarHBondContact CB-O 3.11Å; S392-G428 PolarHBondContact N-O 2.8Å
393	R	92.2	Very high	91.3	Very high	5 Å²	5	25.7 Å²	25.7	2%	0.019	14%	0.139	C	C	.	.			trans	-90.8	7.3	174.2	-67.3	175.6	-72.4	162.3	3.8	113.4	Y334 S366 T369 C371 V373 D378 F395 V396 R399	Y334-R393 PolarHBondContact OH-NH1 2.63Å; Y334-R393 PolarHBondContact OH-NH2 2.84Å; S366-R393 VanDerWaalsContact OG-CD 3.29Å; S366-R393 WeakPolarHBondContact OG-CD 3.29Å; T369-R393 PolarHBondContact OG1-NH1 3.5Å; C371-R393 PolarHBondContact O-NH1 3.35Å; V373-R393 HydrophobicContact CG1-CB 4.14Å; V373-R393 HydrophobicContact CG2-CB 4.44Å; D378-R393 IonicContact OD1-CZ 3.33Å; D378-R393 IonicContact OD1-NE 2.88Å; D378-R393 IonicContact OD1-NH2 2.67Å; D378-R393 PolarHBondContact OD1-NH2 2.8Å; D378-R393 PolarHBondContact OD2-N 3.03Å; D378-R393 VanDerWaalsContact OD2-N 3.12Å; D378-R393 IonicContact OD2-NE 3.76Å; R393-F395 VanDerWaalsContact C-N 3.3Å; R393-F395 PolarHBondContact O-N 3.11Å; R393-V396 HydrophobicContact CB-CG2 4.17Å; R393-V396 WeakPolarHBondContact O-CG2 3.36Å; R393-R399 CarbonylContact O-C 3.3Å; R393-R399 WeakPolarHBondContact O-CA 3.48Å
394	E	91.8	Very high	89.8	Confident	1 Å²	1	30.2 Å²	30.2	1%	0.005	17%	0.171	C	C	.	.	S	Bend	trans	-65.1	-32.1	-173.7	-67.6	-61.1	169.6	0	0	114.2	S392 R399 K415 Y419	S392-E394 VanDerWaalsContact C-N 3.33Å; S392-E394 VanDerWaalsContact OG-CG 3.23Å; S392-E394 WeakPolarHBondContact OG-CG 3.05Å; S392-E394 PolarHBondContact OG-N 2.9Å; E394-R399 IonicContact OE2-NE 2.92Å; E394-K415 VanDerWaalsContact CD-CE 3.47Å; E394-K415 WeakPolarHBondContact OE1-CE 3.48Å; E394-K415 IonicContact OE1-NZ 3.77Å; E394-K415 PolarHBondContact OE1-NZ 3.28Å; E394-K415 WeakPolarHBondContact OE2-CD 3.43Å; E394-K415 WeakPolarHBondContact OE2-CE 3.5Å; E394-K415 IonicContact OE2-NZ 2.81Å; E394-K415 PolarHBondContact OE2-NZ 3.38Å; E394-Y419 HydrophobicContact CG-CE2 4.04Å; E394-Y419 PolarHBondContact OE1-OH 2.86Å
395	F	93.3	Very high	88.3	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	19%	0.185	C	C	.	.	S	Bend	trans	-111.6	-3.8	-173.9	-58.4	-79.4	0	0	0	113.2	R393 E412 Y416 L429 T430 T431 H439 Q444 L447 T448 L451	R393-F395 VanDerWaalsContact C-N 3.3Å; R393-F395 PolarHBondContact O-N 3.11Å; F395-E412 HydrophobicContact CD1-CB 4.26Å; F395-E412 HydrophobicContact CE1-CB 3.82Å; F395-Y416 AromaticContact CE2-CD2 3.78Å; F395-Y416 HydrophobicContact CE2-CD2 3.78Å; F395-Y416 HydrophobicContact CE2-CE2 4.14Å; F395-Y416 HydrophobicContact CE2-CG 4.43Å; F395-Y416 AromaticContact CZ-CD2 3.93Å; F395-Y416 HydrophobicContact CZ-CD2 3.93Å; F395-Y416 HydrophobicContact CZ-CG 4.13Å; F395-L429 HydrophobicContact CD2-CD2 4.41Å; F395-L429 HydrophobicContact CE2-CD1 4.42Å; F395-L429 HydrophobicContact CE2-CD2 4.09Å; F395-T430 CarbonylContact C-O 3.54Å; F395-T430 WeakPolarHBondContact CB-O 3.45Å; F395-T431 HydrophobicContact CB-CG2 4.25Å; F395-T431 WeakPolarHBondContact O-CA 3.49Å; F395-H439 PolarHBondContact O-NE2 3.05Å; F395-Q444 PolarHBondContact O-OE1 3.13Å; F395-L447 HydrophobicContact CE1-CB 4.15Å; F395-L447 HydrophobicContact CE1-CD1 4.45Å; F395-T448 HydrophobicContact CB-CG2 3.85Å; F395-T448 HydrophobicContact CD2-CG2 4.02Å; F395-T448 HydrophobicContact CG-CG2 3.88Å; F395-L451 HydrophobicContact CE1-CD1 3.99Å; F395-L451 HydrophobicContact CE2-CD1 4.05Å; F395-L451 HydrophobicContact CZ-CD1 3.32Å
396	V	91.6	Very high	87	Confident	2 Å²	2	28.2 Å²	28.2	1%	0.012	17%	0.174	C	C	.	.	S	Bend	trans	-71.1	156.2	171.1	-48.7	0	0	0	0	109.6	R393 N398 R399 G400 T430 T431 T433 N436	R393-V396 HydrophobicContact CB-CG2 4.17Å; R393-V396 WeakPolarHBondContact O-CG2 3.36Å; V396-N398 PolarHBondContact O-N 2.87Å; V396-R399 WeakPolarHBondContact O-CA 3.34Å; V396-R399 PolarHBondContact O-N 2.92Å; V396-G400 VanDerWaalsContact CG2-N 3.29Å; V396-T430 HydrophobicContact CG1-CG2 4.26Å; V396-T431 WeakPolarHBondContact CA-O 3.29Å; V396-T433 HydrophobicContact CG1-CG2 4.29Å; V396-N436 HydrophobicContact CB-CB 4.13Å; V396-N436 HydrophobicContact CG1-CB 4.41Å; V396-N436 HydrophobicContact CG2-CB 4.41Å
397	F	86.8	Confident	86	Confident	80 Å²	80	33.8 Å²	33.8	35%	0.351	21%	0.208	S	C	.	.	G	3₁₀ helix	trans	-50	133	-179.1	-171.1	-93.7	0	0	0	112.1	R399 G400 H439 W491	F397-R399 PolarHBondContact O-N 2.91Å; F397-R399 VanDerWaalsContact O-N 3.07Å; F397-G400 PolarHBondContact O-N 2.89Å; F397-H439 HydrophobicContact CD2-CB 3.93Å; F397-W491 HydrophobicContact CB-CZ2 4.49Å; F397-W491 AromaticContact CD1-CH2 3.42Å; F397-W491 HydrophobicContact CD1-CH2 3.42Å; F397-W491 VanDerWaalsContact CD1-CH2 3.42Å; F397-W491 AromaticContact CD1-CZ2 3.96Å; F397-W491 HydrophobicContact CD1-CZ2 3.96Å; F397-W491 AromaticContact CE1-CH2 3.85Å; F397-W491 HydrophobicContact CE1-CH2 3.85Å; F397-W491 HydrophobicContact CG-CH2 4.28Å
398	N	87	Confident	85.2	Confident	39 Å²	39	36.8 Å²	36.8	21%	0.209	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	48.7	30.8	-175	-70.6	-7.2	0	0	0	114.6	V396 G400 E401	V396-N398 PolarHBondContact O-N 2.87Å; N398-G400 PolarHBondContact O-N 3.03Å; N398-G400 VanDerWaalsContact O-N 3.07Å; N398-E401 HydrophobicContact CB-CB 4.29Å; N398-E401 WeakPolarHBondContact O-CB 3.48Å; N398-E401 PolarHBondContact O-N 2.86Å
399	R	89.3	Confident	84.6	Confident	8 Å²	8	42 Å²	42	3%	0.03	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	53	30.3	-177.2	-62.2	-171.4	177.3	160	7.1	113.9	G372 V373 G374 D375 R393 E394 V396 F397 F408 K410 K415	G372-R399 CarbonylContact C-O 3.47Å; G372-R399 WeakPolarHBondContact CA-O 3.15Å; V373-R399 HydrophobicContact CG2-CB 3.73Å; V373-R399 HydrophobicContact CG2-CG 4.41Å; V373-R399 PolarHBondContact N-O 3.14Å; G374-R399 WeakPolarHBondContact O-CD 3.29Å; G374-R399 PolarHBondContact O-NH1 3.07Å; D375-R399 IonicContact OD1-NH1 2.84Å; D375-R399 PolarHBondContact OD1-NH1 2.68Å; R393-R399 CarbonylContact O-C 3.3Å; R393-R399 WeakPolarHBondContact O-CA 3.48Å; E394-R399 IonicContact OE2-NE 2.92Å; V396-R399 WeakPolarHBondContact O-CA 3.34Å; V396-R399 PolarHBondContact O-N 2.92Å; F397-R399 PolarHBondContact O-N 2.91Å; F397-R399 VanDerWaalsContact O-N 3.07Å; R399-F408 HydrophobicContact CB-CE1 4.4Å; R399-F408 HydrophobicContact CB-CZ 4.01Å; R399-F408 HydrophobicContact CG-CE1 4.31Å; R399-F408 HydrophobicContact CG-CE2 4.04Å; R399-F408 HydrophobicContact CG-CZ 3.85Å; R399-K410 PolarHBondContact NH2-O 2.71Å; R399-K415 VanDerWaalsContact NH1-CD 3.31Å
400	G	86.3	Confident	84.1	Confident	3 Å²	3	46 Å²	46	3%	0.031	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	89.5	3.8	178.7	0	0	0	0	0	114.9	V396 F397 N398	V396-G400 VanDerWaalsContact CG2-N 3.29Å; F397-G400 PolarHBondContact O-N 2.89Å; N398-G400 PolarHBondContact O-N 3.03Å; N398-G400 VanDerWaalsContact O-N 3.07Å
401	E	83.7	Confident	83.6	Confident	35 Å²	35	47.2 Å²	47.2	16%	0.164	27%	0.274	C	S	.	.			trans	-80.7	129	179.5	-161.8	166.1	175	0	0	112.3	G370 N398 L406	G370-E401 WeakPolarHBondContact O-CA 3.45Å; N398-E401 HydrophobicContact CB-CB 4.29Å; N398-E401 WeakPolarHBondContact O-CB 3.48Å; N398-E401 PolarHBondContact O-N 2.86Å; E401-L406 VanDerWaalsContact CD-CD1 3.41Å; E401-L406 VanDerWaalsContact CD-CG 3.48Å; E401-L406 VanDerWaalsContact OE1-CD1 3.23Å; E401-L406 WeakPolarHBondContact OE1-CD1 3.41Å; E401-L406 VanDerWaalsContact OE1-CG 3.31Å; E401-L406 WeakPolarHBondContact OE1-CG 3.02Å; E401-L406 WeakPolarHBondContact OE2-CD1 3.13Å; E401-L406 WeakPolarHBondContact OE2-CG 3.07Å
402	S	75.9	Confident	83	Confident	15 Å²	15	48.6 Å²	48.6	11%	0.105	28%	0.28	C	S	.	.			trans	-103	111.4	169	66	0	0	0	0	108.4	R250 L325 G370	R250-S402 PolarHBondContact NH2-OG 2.87Å; L325-S402 WeakPolarHBondContact CD1-O 3.36Å; L325-S402 WeakPolarHBondContact CD2-O 3.34Å; L325-S402 WeakPolarHBondContact CD2-OG 3.43Å; G370-S402 WeakPolarHBondContact CA-OG 3.14Å; G370-S402 PolarHBondContact O-N 2.9Å
403	G	67.6	Low	82.7	Confident	56 Å²	56	48.6 Å²	48.6	58%	0.577	28%	0.281	S	S	*	.	S	Bend	trans	158	-157.7	-175	0	0	0	0	0	112.1
404	S	64.4	Low	82.6	Confident	96 Å²	96	51.6 Å²	51.6	67%	0.671	30%	0.295	S	S	*	.	S	Bend	trans	-62.1	143.8	174.2	-62	0	0	0	0	110.8	L406	S404-L406 PolarHBondContact O-N 2.85Å; S404-L406 VanDerWaalsContact O-N 3.08Å
405	P	65.2	Low	82.6	Confident	110 Å²	110	51.6 Å²	51.6	71%	0.714	30%	0.295	S	S	*	.	P	Polyproline II helix	trans	-59.3	117.1	176.9	-17.4	28.7	0	0	0	110
406	L	68.1	Low	82.6	Confident	86 Å²	86	51.6 Å²	51.6	45%	0.45	30%	0.295	S	S	.	.	P	Polyproline II helix	trans	-80.7	150.7	171.6	-69.2	-161.5	0	0	0	111.2	E401 S404 F408	E401-L406 VanDerWaalsContact CD-CD1 3.41Å; E401-L406 VanDerWaalsContact CD-CG 3.48Å; E401-L406 VanDerWaalsContact OE1-CD1 3.23Å; E401-L406 WeakPolarHBondContact OE1-CD1 3.41Å; E401-L406 VanDerWaalsContact OE1-CG 3.31Å; E401-L406 WeakPolarHBondContact OE1-CG 3.02Å; E401-L406 WeakPolarHBondContact OE2-CD1 3.13Å; E401-L406 WeakPolarHBondContact OE2-CG 3.07Å; S404-L406 PolarHBondContact O-N 2.85Å; S404-L406 VanDerWaalsContact O-N 3.08Å; L406-F408 HydrophobicContact CB-CE1 4.19Å; L406-F408 HydrophobicContact CB-CZ 4.44Å
407	T	76.3	Confident	82.6	Confident	134 Å²	134	53 Å²	53	82%	0.822	31%	0.305	S	S	*	.	P	Polyproline II helix	trans	-90.9	132.8	165.6	50.9	0	0	0	0	108.4
408	F	82.6	Confident	82.9	Confident	63 Å²	63	53.1 Å²	53.1	28%	0.276	31%	0.312	S	S	.	.	P	Polyproline II helix	trans	-103.4	135.2	177.3	-55.7	-61.7	0	0	0	109.5	R399 L406 K410	R399-F408 HydrophobicContact CB-CE1 4.4Å; R399-F408 HydrophobicContact CB-CZ 4.01Å; R399-F408 HydrophobicContact CG-CE1 4.31Å; R399-F408 HydrophobicContact CG-CE2 4.04Å; R399-F408 HydrophobicContact CG-CZ 3.85Å; L406-F408 HydrophobicContact CB-CE1 4.19Å; L406-F408 HydrophobicContact CB-CZ 4.44Å; F408-K410 VanDerWaalsContact C-N 3.29Å
409	N	86.3	Confident	83.3	Confident	148 Å²	148	51.8 Å²	51.8	79%	0.791	30%	0.304	S	S	*	.	S	Bend	trans	-75	-24.2	178.7	-60.3	-59	0	0	0	111.9	D375	D375-N409 VanDerWaalsContact OD2-CB 3.27Å; D375-N409 WeakPolarHBondContact OD2-CB 3.29Å; D375-N409 PolarHBondContact OD2-N 2.9Å; D375-N409 PolarHBondContact OD2-ND2 2.74Å
410	K	86.6	Confident	83.6	Confident	84 Å²	84	53.6 Å²	53.6	37%	0.365	32%	0.318	S	S	.	.	S	Bend	trans	-111.7	139.2	177.9	-63.9	175.7	-175.9	169.7	0	110.2	D375 R399 F408 Q414 K415	D375-K410 PolarHBondContact OD1-N 3.31Å; R399-K410 PolarHBondContact NH2-O 2.71Å; F408-K410 VanDerWaalsContact C-N 3.29Å; K410-Q414 HydrophobicContact CB-CB 4.09Å; K410-K415 HydrophobicContact CB-CB 4.19Å
411	T	86.9	Confident	83.9	Confident	26 Å²	26	57.8 Å²	57.8	16%	0.16	34%	0.34	C	S	.	.			trans	-63.9	165.6	165.3	70.9	0	0	0	0	111	I413 Q414 K415 E577	T411-I413 VanDerWaalsContact C-N 3.34Å; T411-I413 PolarHBondContact O-N 2.83Å; T411-Q414 PolarHBondContact O-N 3.14Å; T411-Q414 VanDerWaalsContact OG1-CB 3.32Å; T411-Q414 WeakPolarHBondContact OG1-CB 3.42Å; T411-Q414 WeakPolarHBondContact OG1-CG 3.23Å; T411-Q414 PolarHBondContact OG1-N 2.86Å; T411-K415 WeakPolarHBondContact O-CB 3.23Å; T411-K415 PolarHBondContact O-N 3.23Å; T411-E577 WeakPolarHBondContact CB-OE1 3.3Å; T411-E577 PolarHBondContact OG1-OE1 2.64Å
412	E	86.3	Confident	84.3	Confident	29 Å²	29	60 Å²	60	14%	0.136	36%	0.359	C	S	.	.	H	α-helix	trans	-61.5	-41.9	-179.7	-54.6	91.3	154.4	0	0	111.7	F395 K415 Y416 Q444 K595	F395-E412 HydrophobicContact CD1-CB 4.26Å; F395-E412 HydrophobicContact CE1-CB 3.82Å; E412-K415 PolarHBondContact O-N 2.99Å; E412-Y416 WeakPolarHBondContact O-CB 3.32Å; E412-Y416 PolarHBondContact O-N 3.28Å; E412-Q444 PolarHBondContact OE1-NE2 2.7Å; E412-K595 IonicContact OE2-NZ 3.45Å; E412-K595 PolarHBondContact OE2-NZ 2.74Å
413	I	89.7	Confident	85.3	Confident	1 Å²	1	59.9 Å²	59.9	1%	0.005	36%	0.357	C	S	.	.	H	α-helix	trans	-69.5	-40.1	177.5	-70.1	161.8	0	0	0	111.1	T411 K415 Y416 S417 L447 M563 R565 E577 F579 I593	T411-I413 VanDerWaalsContact C-N 3.34Å; T411-I413 PolarHBondContact O-N 2.83Å; I413-K415 VanDerWaalsContact C-N 3.33Å; I413-K415 PolarHBondContact O-N 3.31Å; I413-Y416 PolarHBondContact O-N 3.09Å; I413-S417 VanDerWaalsContact O-CB 3.26Å; I413-S417 WeakPolarHBondContact O-CB 3.22Å; I413-S417 PolarHBondContact O-N 3.5Å; I413-S417 PolarHBondContact O-OG 2.92Å; I413-L447 HydrophobicContact CD1-CD1 3.99Å; I413-L447 HydrophobicContact CD1-CD2 3.66Å; I413-L447 HydrophobicContact CD1-CG 4.49Å; I413-L447 HydrophobicContact CG1-CD1 4.04Å; I413-L447 HydrophobicContact CG1-CD2 3.9Å; I413-M563 HydrophobicContact CG2-CE 3.81Å; I413-R565 HydrophobicContact CG2-CG 4.36Å; I413-E577 WeakPolarHBondContact CB-OE1 3.38Å; I413-E577 HydrophobicContact CD1-CB 3.39Å; I413-E577 HydrophobicContact CD1-CG 4.21Å; I413-F579 HydrophobicContact CD1-CD1 4.38Å; I413-F579 HydrophobicContact CD1-CE1 4.33Å; I413-I593 HydrophobicContact CD1-CG1 4.46Å
414	Q	89.5	Confident	86.6	Confident	67 Å²	67	57.8 Å²	57.8	31%	0.313	33%	0.332	S	S	.	.	H	α-helix	trans	-59.6	-47.3	176.3	-76	171.2	-2.9	0	0	110.9	K410 T411 T418	K410-Q414 HydrophobicContact CB-CB 4.09Å; T411-Q414 PolarHBondContact O-N 3.14Å; T411-Q414 VanDerWaalsContact OG1-CB 3.32Å; T411-Q414 WeakPolarHBondContact OG1-CB 3.42Å; T411-Q414 WeakPolarHBondContact OG1-CG 3.23Å; T411-Q414 PolarHBondContact OG1-N 2.86Å; Q414-T418 WeakPolarHBondContact O-CG2 3.2Å
415	K	90.6	Very high	88	Confident	1 Å²	1	56.4 Å²	56.4	0%	0.004	32%	0.318	C	S	.	.	H	α-helix	trans	-65.2	-49.8	176.8	-176.4	171.1	178.3	-153.7	0	111.5	G374 N376 E394 R399 K410 T411 E412 I413 S417 T418	G374-K415 WeakPolarHBondContact O-CE 3.44Å; G374-K415 PolarHBondContact O-NZ 3.05Å; N376-K415 WeakPolarHBondContact O-CE 3.38Å; N376-K415 PolarHBondContact O-NZ 3.2Å; E394-K415 VanDerWaalsContact CD-CE 3.47Å; E394-K415 WeakPolarHBondContact OE1-CE 3.48Å; E394-K415 IonicContact OE1-NZ 3.77Å; E394-K415 PolarHBondContact OE1-NZ 3.28Å; E394-K415 WeakPolarHBondContact OE2-CD 3.43Å; E394-K415 WeakPolarHBondContact OE2-CE 3.5Å; E394-K415 IonicContact OE2-NZ 2.81Å; E394-K415 PolarHBondContact OE2-NZ 3.38Å; R399-K415 VanDerWaalsContact NH1-CD 3.31Å; K410-K415 HydrophobicContact CB-CB 4.19Å; T411-K415 WeakPolarHBondContact O-CB 3.23Å; T411-K415 PolarHBondContact O-N 3.23Å; E412-K415 PolarHBondContact O-N 2.99Å; I413-K415 VanDerWaalsContact C-N 3.33Å; I413-K415 PolarHBondContact O-N 3.31Å; K415-S417 PolarHBondContact O-N 3.35Å; K415-T418 WeakPolarHBondContact O-CB 3.02Å; K415-T418 PolarHBondContact O-N 3.48Å; K415-T418 PolarHBondContact O-OG1 3.06Å
416	Y	93.9	Very high	89.5	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-59	-33.6	-179	-168.8	-96.9	0	0	0	113	F395 E412 I413 T418 Y419 K424 L427 L429 L451 P452 M563	F395-Y416 AromaticContact CE2-CD2 3.78Å; F395-Y416 HydrophobicContact CE2-CD2 3.78Å; F395-Y416 HydrophobicContact CE2-CE2 4.14Å; F395-Y416 HydrophobicContact CE2-CG 4.43Å; F395-Y416 AromaticContact CZ-CD2 3.93Å; F395-Y416 HydrophobicContact CZ-CD2 3.93Å; F395-Y416 HydrophobicContact CZ-CG 4.13Å; E412-Y416 WeakPolarHBondContact O-CB 3.32Å; E412-Y416 PolarHBondContact O-N 3.28Å; I413-Y416 PolarHBondContact O-N 3.09Å; Y416-T418 PolarHBondContact O-N 3.32Å; Y416-Y419 AromaticContact CD2-CD2 3.98Å; Y416-Y419 HydrophobicContact CD2-CD2 3.98Å; Y416-Y419 HydrophobicContact CD2-CE2 4.28Å; Y416-Y419 HydrophobicContact CE2-CD2 4.3Å; Y416-Y419 HydrophobicContact CG-CD2 4.43Å; Y416-Y419 WeakPolarHBondContact O-CD2 3.27Å; Y416-Y419 PolarHBondContact O-N 2.72Å; Y416-K424 HydrophobicContact CE1-CD 3.99Å; Y416-K424 HydrophobicContact CE1-CG 3.92Å; Y416-L427 HydrophobicContact CE2-CD1 3.79Å; Y416-L429 HydrophobicContact CE2-CD1 4.26Å; Y416-L429 HydrophobicContact CE2-CD2 3.58Å; Y416-L451 HydrophobicContact CD1-CB 4.44Å; Y416-L451 HydrophobicContact CD1-CD1 3.83Å; Y416-L451 HydrophobicContact CD1-CD2 3.95Å; Y416-L451 HydrophobicContact CD1-CG 4.3Å; Y416-L451 HydrophobicContact CE1-CB 3.99Å; Y416-L451 HydrophobicContact CE1-CD1 4.13Å; Y416-L451 HydrophobicContact CE1-CD2 4.24Å; Y416-L451 HydrophobicContact CE1-CG 4.36Å; Y416-L451 HydrophobicContact CG-CD1 4.08Å; Y416-P452 PolarHBondContact OH-O 3.5Å; Y416-M563 HydrophobicContact CD1-SD 4.4Å
417	S	92.5	Very high	90.9	Very high	33 Å²	33	49.9 Å²	49.9	23%	0.231	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-11.8	178.2	-59.5	0	0	0	0	113.7	I413 K415 Y419 M563 R565	I413-S417 VanDerWaalsContact O-CB 3.26Å; I413-S417 WeakPolarHBondContact O-CB 3.22Å; I413-S417 PolarHBondContact O-N 3.5Å; I413-S417 PolarHBondContact O-OG 2.92Å; K415-S417 PolarHBondContact O-N 3.35Å; S417-Y419 VanDerWaalsContact C-N 3.32Å; S417-M563 WeakPolarHBondContact OG-CE 3.17Å; S417-R565 WeakPolarHBondContact OG-CD 3.36Å; S417-R565 WeakPolarHBondContact OG-CG 3.45Å
418	T	93.4	Very high	92	Very high	82 Å²	82	43.5 Å²	43.5	50%	0.503	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-18.2	174.5	69.1	0	0	0	0	113.2	Q414 K415 Y416	Q414-T418 WeakPolarHBondContact O-CG2 3.2Å; K415-T418 WeakPolarHBondContact O-CB 3.02Å; K415-T418 PolarHBondContact O-N 3.48Å; K415-T418 PolarHBondContact O-OG1 3.06Å; Y416-T418 PolarHBondContact O-N 3.32Å
419	Y	94.8	Very high	92.7	Very high	10 Å²	10	40.5 Å²	40.5	4%	0.039	22%	0.222	C	C	.	.	S	Bend	trans	-68.2	144	174.5	-67.8	-63.8	0	0	0	111.4	P377 D378 L381 E394 Y416 S417 D423 K424 L427	P377-Y419 HydrophobicContact CB-CE1 4.33Å; D378-Y419 PolarHBondContact N-OH 2.83Å; L381-Y419 HydrophobicContact CD1-CD1 3.98Å; L381-Y419 HydrophobicContact CD1-CE1 3.69Å; L381-Y419 HydrophobicContact CD2-CE1 4.48Å; L381-Y419 HydrophobicContact CG-CE1 4.29Å; E394-Y419 HydrophobicContact CG-CE2 4.04Å; E394-Y419 PolarHBondContact OE1-OH 2.86Å; Y416-Y419 AromaticContact CD2-CD2 3.98Å; Y416-Y419 HydrophobicContact CD2-CD2 3.98Å; Y416-Y419 HydrophobicContact CD2-CE2 4.28Å; Y416-Y419 HydrophobicContact CE2-CD2 4.3Å; Y416-Y419 HydrophobicContact CG-CD2 4.43Å; Y416-Y419 WeakPolarHBondContact O-CD2 3.27Å; Y416-Y419 PolarHBondContact O-N 2.72Å; S417-Y419 VanDerWaalsContact C-N 3.32Å; Y419-D423 HydrophobicContact CD1-CB 4.38Å; Y419-K424 WeakPolarHBondContact O-CE 3.06Å; Y419-K424 PolarHBondContact O-NZ 3.01Å; Y419-K424 VanDerWaalsContact O-NZ 3.13Å; Y419-L427 HydrophobicContact CD1-CD1 4.29Å; Y419-L427 HydrophobicContact CD2-CD1 3.81Å; Y419-L427 HydrophobicContact CE2-CD1 4.17Å; Y419-L427 HydrophobicContact CG-CD1 3.91Å
420	S	94.9	Very high	93.2	Very high	46 Å²	46	33.4 Å²	33.4	32%	0.322	18%	0.184	S	C	.	.			trans	-68.7	157.9	170.8	72.8	0	0	0	0	110.5	S422 D423 K424	S420-S422 PolarHBondContact O-N 3.17Å; S420-S422 PolarHBondContact OG-OG 3.06Å; S420-D423 WeakPolarHBondContact CB-OD2 2.97Å; S420-D423 PolarHBondContact N-OD2 2.65Å; S420-D423 PolarHBondContact O-N 2.67Å; S420-D423 PolarHBondContact OG-N 2.82Å; S420-D423 VanDerWaalsContact OG-N 3.16Å; S420-D423 PolarHBondContact OG-OD2 2.95Å; S420-K424 WeakPolarHBondContact O-CG 3.33Å; S420-K424 PolarHBondContact O-N 2.71Å
421	D	92.6	Very high	93.6	Very high	91 Å²	91	29.4 Å²	29.4	49%	0.487	17%	0.167	S	C	.	.	H	α-helix	trans	-62.8	-32.1	177.8	-67.8	-17.4	0	0	0	112.1	D423 K424 D425	D421-D423 VanDerWaalsContact C-N 3.35Å; D421-K424 PolarHBondContact O-N 2.63Å; D421-K424 IonicContact OD1-NZ 3.53Å; D421-K424 PolarHBondContact OD1-NZ 2.94Å; D421-D425 WeakPolarHBondContact O-CB 3.16Å; D421-D425 PolarHBondContact O-N 3.41Å; D421-D425 VanDerWaalsContact O-N 3.09Å
422	S	93.2	Very high	94	Very high	81 Å²	81	28.2 Å²	28.2	57%	0.566	16%	0.159	S	C	*	.	H	α-helix	trans	-65.8	-35.1	172.7	48	0	0	0	0	113.4	S420	S420-S422 PolarHBondContact O-N 3.17Å; S420-S422 PolarHBondContact OG-OG 3.06Å
423	D	95.3	Very high	94.4	Very high	13 Å²	13	26.9 Å²	26.9	7%	0.07	15%	0.153	C	C	.	.	H	α-helix	trans	-70.2	-49.3	175.8	-60.7	-41.5	0	0	0	109.6	L381 R384 Y419 S420 D421 D425 K426 L427	L381-D423 HydrophobicContact CD2-CB 3.89Å; R384-D423 IonicContact NH1-OD1 2.96Å; Y419-D423 HydrophobicContact CD1-CB 4.38Å; S420-D423 WeakPolarHBondContact CB-OD2 2.97Å; S420-D423 PolarHBondContact N-OD2 2.65Å; S420-D423 PolarHBondContact O-N 2.67Å; S420-D423 PolarHBondContact OG-N 2.82Å; S420-D423 VanDerWaalsContact OG-N 3.16Å; S420-D423 PolarHBondContact OG-OD2 2.95Å; D421-D423 VanDerWaalsContact C-N 3.35Å; D423-D425 PolarHBondContact O-N 3.28Å; D423-D425 VanDerWaalsContact O-N 3.15Å; D423-K426 PolarHBondContact O-N 2.55Å; D423-L427 WeakPolarHBondContact O-CG 2.99Å; D423-L427 PolarHBondContact O-N 2.79Å
424	K	95.7	Very high	94.5	Very high	12 Å²	12	26.9 Å²	26.9	5%	0.052	15%	0.154	C	C	.	.	H	α-helix	trans	-52.9	-39.6	179.1	-66.5	173.2	-166.2	145.8	0	111.9	Y416 Y419 S420 D421 K426 L427 P452 G453	Y416-K424 HydrophobicContact CE1-CD 3.99Å; Y416-K424 HydrophobicContact CE1-CG 3.92Å; Y419-K424 WeakPolarHBondContact O-CE 3.06Å; Y419-K424 PolarHBondContact O-NZ 3.01Å; Y419-K424 VanDerWaalsContact O-NZ 3.13Å; S420-K424 WeakPolarHBondContact O-CG 3.33Å; S420-K424 PolarHBondContact O-N 2.71Å; D421-K424 PolarHBondContact O-N 2.63Å; D421-K424 IonicContact OD1-NZ 3.53Å; D421-K424 PolarHBondContact OD1-NZ 2.94Å; K424-K426 PolarHBondContact O-N 2.95Å; K424-L427 PolarHBondContact O-N 2.57Å; K424-L427 VanDerWaalsContact O-N 3.12Å; K424-P452 HydrophobicContact CB-CB 4.25Å; K424-P452 HydrophobicContact CD-CB 4.26Å; K424-P452 HydrophobicContact CD-CG 4.37Å; K424-G453 WeakPolarHBondContact O-CA 3.4Å
425	D	94.1	Very high	94.5	Very high	68 Å²	68	23.7 Å²	23.7	36%	0.364	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-14.8	177.8	-111.4	35.7	0	0	0	115.4	K122 D421 D423	K122-D425 WeakPolarHBondContact CE-O 3.41Å; K122-D425 PolarHBondContact NZ-O 3.43Å; K122-D425 IonicContact NZ-OD2 3.72Å; K122-D425 PolarHBondContact NZ-OD2 3.18Å; D421-D425 WeakPolarHBondContact O-CB 3.16Å; D421-D425 PolarHBondContact O-N 3.41Å; D421-D425 VanDerWaalsContact O-N 3.09Å; D423-D425 PolarHBondContact O-N 3.28Å; D423-D425 VanDerWaalsContact O-N 3.15Å
426	K	96.9	Very high	94.5	Very high	57 Å²	57	23.9 Å²	23.9	25%	0.248	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.7	-6.5	179.4	-61	-172.5	178.9	-164.1	0	113	R384 L389 M390 D423 K424 G428	R384-K426 WeakPolarHBondContact O-CD 3.32Å; R384-K426 WeakPolarHBondContact O-CE 3.22Å; R384-K426 PolarHBondContact O-NZ 3.22Å; L389-K426 CarbonylContact C-O 3.52Å; L389-K426 WeakPolarHBondContact CA-O 3.23Å; M390-K426 HydrophobicContact CE-CB 3.68Å; M390-K426 PolarHBondContact N-O 3.13Å; D423-K426 PolarHBondContact O-N 2.55Å; K424-K426 PolarHBondContact O-N 2.95Å; K426-G428 PolarHBondContact O-N 3.23Å
427	L	97.7	Very high	94.3	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.005	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	115.1	178.2	-69.4	175.5	0	0	0	110.5	L381 M390 Y416 Y419 D423 K424 L429 L454	L381-L427 HydrophobicContact CD2-CD2 4.28Å; M390-L427 HydrophobicContact CE-CD2 4.19Å; Y416-L427 HydrophobicContact CE2-CD1 3.79Å; Y419-L427 HydrophobicContact CD1-CD1 4.29Å; Y419-L427 HydrophobicContact CD2-CD1 3.81Å; Y419-L427 HydrophobicContact CE2-CD1 4.17Å; Y419-L427 HydrophobicContact CG-CD1 3.91Å; D423-L427 WeakPolarHBondContact O-CG 2.99Å; D423-L427 PolarHBondContact O-N 2.79Å; K424-L427 PolarHBondContact O-N 2.57Å; K424-L427 VanDerWaalsContact O-N 3.12Å; L427-L429 HydrophobicContact CB-CD2 3.83Å; L427-L429 PolarHBondContact O-N 2.53Å; L427-L454 PolarHBondContact O-N 3.48Å
428	G	97.9	Very high	94.2	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	107.7	167	0	0	0	0	0	110	M390 S392 K426 L454	M390-G428 PolarHBondContact O-N 2.64Å; S392-G428 VanDerWaalsContact CB-O 3.29Å; S392-G428 WeakPolarHBondContact CB-O 3.11Å; S392-G428 PolarHBondContact N-O 2.8Å; K426-G428 PolarHBondContact O-N 3.23Å; G428-L454 CarbonylContact C-O 3.55Å; G428-L454 VanDerWaalsContact CA-O 3.29Å; G428-L454 WeakPolarHBondContact CA-O 3.48Å
429	L	97.7	Very high	93.8	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	118.8	-174.9	-53.1	-170.3	0	0	0	110	F395 Y416 L427 T448 L451 P452 L454 I456	F395-L429 HydrophobicContact CD2-CD2 4.41Å; F395-L429 HydrophobicContact CE2-CD1 4.42Å; F395-L429 HydrophobicContact CE2-CD2 4.09Å; Y416-L429 HydrophobicContact CE2-CD1 4.26Å; Y416-L429 HydrophobicContact CE2-CD2 3.58Å; L427-L429 HydrophobicContact CB-CD2 3.83Å; L427-L429 PolarHBondContact O-N 2.53Å; L429-T448 HydrophobicContact CB-CG2 3.98Å; L429-L451 HydrophobicContact CD1-CB 3.88Å; L429-P452 WeakPolarHBondContact CD1-O 3.15Å; L429-L454 PolarHBondContact N-O 3.01Å; L429-I456 PolarHBondContact O-N 3.48Å
430	T	96.9	Very high	93.1	Very high	0 Å²	0	23 Å²	23	0%	0	14%	0.135	C	C	.	.			trans	-149.2	156.2	178.2	-163.1	0	0	0	0	111.2	V391 F395 V396 S432 T433 I456	V391-T430 HydrophobicContact CG1-CG2 3.88Å; F395-T430 CarbonylContact C-O 3.54Å; F395-T430 WeakPolarHBondContact CB-O 3.45Å; V396-T430 HydrophobicContact CG1-CG2 4.26Å; T430-S432 VanDerWaalsContact CG2-O 3.31Å; T430-S432 WeakPolarHBondContact CG2-O 3.39Å; T430-S432 PolarHBondContact OG1-N 3.38Å; T430-S432 PolarHBondContact OG1-O 3.43Å; T430-T433 HydrophobicContact CG2-CG2 3.82Å; T430-I456 WeakPolarHBondContact CB-O 3.28Å; T430-I456 PolarHBondContact OG1-O 3Å
431	T	95.5	Very high	92.7	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.132	C	C	.	.	S	Bend	trans	-97.5	-12.3	175.2	49.1	0	0	0	0	112.4	F395 V396 H439 Q444 L445 T448 T461	F395-T431 HydrophobicContact CB-CG2 4.25Å; F395-T431 WeakPolarHBondContact O-CA 3.49Å; V396-T431 WeakPolarHBondContact CA-O 3.29Å; T431-H439 WeakPolarHBondContact CB-NE2 3.08Å; T431-H439 PolarHBondContact O-CD2 2.76Å; T431-H439 VanDerWaalsContact O-CD2 3.32Å; T431-H439 PolarHBondContact O-NE2 2.78Å; T431-H439 VanDerWaalsContact O-NE2 3.12Å; T431-Q444 HydrophobicContact CG2-CB 3.98Å; T431-L445 HydrophobicContact CG2-CB 4.21Å; T431-T448 HydrophobicContact CG2-CG2 4.12Å; T431-T461 WeakPolarHBondContact OG1-CG2 3.44Å
432	S	94.4	Very high	92.6	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.113	C	C	.	.			trans	-153.8	155.5	-175.3	-51.6	0	0	0	0	110.6	T430 N436 P437 T438 Y458	T430-S432 VanDerWaalsContact CG2-O 3.31Å; T430-S432 WeakPolarHBondContact CG2-O 3.39Å; T430-S432 PolarHBondContact OG1-N 3.38Å; T430-S432 PolarHBondContact OG1-O 3.43Å; S432-N436 CarbonylContact C-O 3.53Å; S432-N436 VanDerWaalsContact CA-O 3.31Å; S432-N436 WeakPolarHBondContact CA-O 3.3Å; S432-N436 VanDerWaalsContact CB-O 3.31Å; S432-N436 WeakPolarHBondContact CB-O 3.07Å; S432-P437 PolarHBondContact OG-O 3.03Å; S432-T438 VanDerWaalsContact OG-CA 3.29Å; S432-T438 WeakPolarHBondContact OG-CA 3.12Å; S432-Y458 WeakPolarHBondContact O-CB 3.38Å
433	T	94.7	Very high	92.5	Very high	1 Å²	1	16 Å²	16	1%	0.006	9%	0.087	C	C	.	.	B	Isolated β-bridge	trans	-144.1	-179.3	-177.5	69.3	0	0	0	0	108.8	W128 V391 V396 T430 N435 N436 S495	W128-T433 HydrophobicContact CE3-CG2 4.43Å; W128-T433 HydrophobicContact CH2-CG2 4.27Å; W128-T433 HydrophobicContact CZ3-CG2 3.69Å; V391-T433 HydrophobicContact CG1-CG2 4.01Å; V396-T433 HydrophobicContact CG1-CG2 4.29Å; T430-T433 HydrophobicContact CG2-CG2 3.82Å; T433-N435 PolarHBondContact O-N 2.86Å; T433-N435 PolarHBondContact OG1-N 3.32Å; T433-N435 VanDerWaalsContact OG1-N 3.11Å; T433-N436 PolarHBondContact N-O 2.95Å; T433-N436 PolarHBondContact O-N 2.74Å; T433-N436 VanDerWaalsContact O-O 3.07Å; T433-N436 WeakPolarHBondContact OG1-CB 3.37Å; T433-N436 PolarHBondContact OG1-N 3.07Å; T433-N436 PolarHBondContact OG1-OD1 3.01Å; T433-N436 VanDerWaalsContact OG1-OD1 3.1Å; T433-S495 VanDerWaalsContact O-CB 3.32Å; T433-S495 WeakPolarHBondContact O-CB 3.12Å; T433-S495 PolarHBondContact O-OG 3.33Å
434	S	92	Very high	92.4	Very high	2 Å²	2	16.4 Å²	16.4	1%	0.014	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-15.5	169.9	46.8	0	0	0	0	114.1	W128 S495 H496	W128-S434 VanDerWaalsContact CZ2-OG 3.25Å; W128-S434 WeakPolarHBondContact CZ2-OG 3.33Å; S434-S495 WeakPolarHBondContact O-CB 3.44Å; S434-H496 PolarHBondContact O-NE2 3.07Å; S434-H496 VanDerWaalsContact O-NE2 3.13Å
435	N	90.3	Very high	92.3	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-125.7	0.8	-176.2	-37	34.1	0	0	0	112.5	D368 T433 W491	D368-N435 HydrophobicContact CB-CB 3.51Å; D368-N435 PolarHBondContact N-ND2 3.15Å; T433-N435 PolarHBondContact O-N 2.86Å; T433-N435 PolarHBondContact OG1-N 3.32Å; T433-N435 VanDerWaalsContact OG1-N 3.11Å; N435-W491 VanDerWaalsContact O-CD1 3.26Å; N435-W491 PolarHBondContact O-NE1 2.91Å
436	N	90.5	Very high	92.4	Very high	4 Å²	4	12.7 Å²	12.7	2%	0.021	7%	0.069	C	C	.	.	B	Isolated β-bridge	trans	-128.9	110.3	176	-64.8	104	0	0	0	108.7	V396 S432 T433 S495	V396-N436 HydrophobicContact CB-CB 4.13Å; V396-N436 HydrophobicContact CG1-CB 4.41Å; V396-N436 HydrophobicContact CG2-CB 4.41Å; S432-N436 CarbonylContact C-O 3.53Å; S432-N436 VanDerWaalsContact CA-O 3.31Å; S432-N436 WeakPolarHBondContact CA-O 3.3Å; S432-N436 VanDerWaalsContact CB-O 3.31Å; S432-N436 WeakPolarHBondContact CB-O 3.07Å; T433-N436 PolarHBondContact N-O 2.95Å; T433-N436 PolarHBondContact O-N 2.74Å; T433-N436 VanDerWaalsContact O-O 3.07Å; T433-N436 WeakPolarHBondContact OG1-CB 3.37Å; T433-N436 PolarHBondContact OG1-N 3.07Å; T433-N436 PolarHBondContact OG1-OD1 3.01Å; T433-N436 VanDerWaalsContact OG1-OD1 3.1Å; N436-S495 PolarHBondContact N-OG 2.9Å
437	P	89.7	Confident	92.3	Very high	9 Å²	9	10 Å²	10	6%	0.058	6%	0.058	C	C	.	.			trans	-68.1	165.7	-171.7	28.3	-35.4	0	0	0	112.4	S432 W491 R494 S495	S432-P437 PolarHBondContact OG-O 3.03Å; P437-W491 VanDerWaalsContact CD-CE2 3.5Å; P437-W491 HydrophobicContact CG-CD2 4.33Å; P437-W491 HydrophobicContact CG-CH2 4.29Å; P437-W491 HydrophobicContact CG-CZ2 3.99Å; P437-R494 HydrophobicContact CB-CB 3.82Å; P437-R494 HydrophobicContact CG-CB 4.42Å; P437-S495 WeakPolarHBondContact CA-OG 3.32Å
438	T	89.5	Confident	92.3	Very high	22 Å²	22	9.9 Å²	9.9	14%	0.135	6%	0.057	C	C	.	.			trans	-61.8	145.3	176.1	59.2	0	0	0	0	112.7	S432 Y458	S432-T438 VanDerWaalsContact OG-CA 3.29Å; S432-T438 WeakPolarHBondContact OG-CA 3.12Å; T438-Y458 HydrophobicContact CG2-CD1 4.33Å
439	H	85.4	Confident	92.2	Very high	18 Å²	18	10 Å²	10	8%	0.083	6%	0.058	C	C	.	.			trans	-140.9	155.7	172.8	66.1	84.4	0	0	0	110.9	F395 F397 T431 N441 Q444	F395-H439 PolarHBondContact O-NE2 3.05Å; F397-H439 HydrophobicContact CD2-CB 3.93Å; T431-H439 WeakPolarHBondContact CB-NE2 3.08Å; T431-H439 PolarHBondContact O-CD2 2.76Å; T431-H439 VanDerWaalsContact O-CD2 3.32Å; T431-H439 PolarHBondContact O-NE2 2.78Å; T431-H439 VanDerWaalsContact O-NE2 3.12Å; H439-N441 VanDerWaalsContact C-N 3.26Å; H439-N441 WeakPolarHBondContact ND1-CB 3.46Å; H439-N441 PolarHBondContact ND1-N 3Å; H439-N441 PolarHBondContact O-N 2.99Å; H439-Q444 PolarHBondContact CE1-OE1 3.37Å
440	S	79.4	Confident	92.2	Very high	58 Å²	58	10 Å²	10	41%	0.406	6%	0.058	S	C	.	.			trans	-83.7	14.1	-169.3	39.5	0	0	0	0	115.9	M442 N466	S440-M442 VanDerWaalsContact C-N 3.28Å; S440-M442 PolarHBondContact O-N 3.09Å; S440-N466 WeakPolarHBondContact CB-ND2 3.29Å; S440-N466 VanDerWaalsContact OG-CB 3.27Å; S440-N466 WeakPolarHBondContact OG-CB 3.12Å; S440-N466 PolarHBondContact OG-ND2 3.08Å; S440-N466 PolarHBondContact OG-OD1 3.15Å
441	N	88	Confident	92.2	Very high	48 Å²	48	10 Å²	10	26%	0.257	6%	0.058	S	C	.	.			trans	-79.7	83.7	-176	-165.7	-24.6	0	0	0	110.1	H439 N443 Q444 L445	H439-N441 VanDerWaalsContact C-N 3.26Å; H439-N441 WeakPolarHBondContact ND1-CB 3.46Å; H439-N441 PolarHBondContact ND1-N 3Å; H439-N441 PolarHBondContact O-N 2.99Å; N441-N443 PolarHBondContact O-N 2.78Å; N441-N443 WeakPolarHBondContact OD1-CB 3.13Å; N441-N443 PolarHBondContact OD1-N 2.98Å; N441-Q444 HydrophobicContact CB-CB 4.14Å; N441-Q444 HydrophobicContact CB-CG 4.2Å; N441-Q444 VanDerWaalsContact ND2-CD 3.26Å; N441-Q444 PolarHBondContact ND2-NE2 3.04Å; N441-Q444 WeakPolarHBondContact O-CB 3.31Å; N441-Q444 PolarHBondContact O-N 3.16Å; N441-Q444 PolarHBondContact OD1-N 2.86Å; N441-Q444 VanDerWaalsContact OD1-N 3.17Å; N441-L445 PolarHBondContact O-N 3.17Å
442	M	90.1	Very high	92.3	Very high	18 Å²	18	10.5 Å²	10.5	9%	0.089	6%	0.061	C	C	.	.	H	α-helix	trans	-63.9	-23.6	-179.8	-68.6	-55.9	-58	0	0	113	S440 L445 A446 N542 L545 V546	S440-M442 VanDerWaalsContact C-N 3.28Å; S440-M442 PolarHBondContact O-N 3.09Å; M442-L445 HydrophobicContact CE-CD2 3.76Å; M442-L445 HydrophobicContact SD-CD2 4Å; M442-A446 VanDerWaalsContact O-CB 3.22Å; M442-A446 WeakPolarHBondContact O-CB 3.41Å; M442-A446 PolarHBondContact O-N 3.31Å; M442-N542 HydrophobicContact CE-CB 3.81Å; M442-N542 WeakPolarHBondContact CG-OD1 3.41Å; M442-N542 HydrophobicContact SD-CB 3.97Å; M442-L545 HydrophobicContact CE-CD2 3.75Å; M442-V546 HydrophobicContact CE-CG2 4.24Å
443	N	91	Very high	92.4	Very high	4 Å²	4	10.9 Å²	10.9	2%	0.021	7%	0.065	C	C	.	.	H	α-helix	trans	-65.3	-44.8	170.4	-75.3	1.5	0	0	0	110.8	N441 A446 L447 I593 N644 I646	N441-N443 PolarHBondContact O-N 2.78Å; N441-N443 WeakPolarHBondContact OD1-CB 3.13Å; N441-N443 PolarHBondContact OD1-N 2.98Å; N443-A446 PolarHBondContact O-N 2.81Å; N443-L447 WeakPolarHBondContact O-CB 3.31Å; N443-L447 VanDerWaalsContact O-CG 3.22Å; N443-L447 WeakPolarHBondContact O-CG 3.44Å; N443-L447 PolarHBondContact O-N 3.47Å; N443-I593 HydrophobicContact CB-CG2 3.94Å; N443-I593 WeakPolarHBondContact ND2-CG2 3.4Å; N443-N644 VanDerWaalsContact ND2-CB 3.3Å; N443-N644 WeakPolarHBondContact ND2-CB 3.2Å; N443-I646 WeakPolarHBondContact OD1-CG1 3.36Å
444	Q	92.3	Very high	92.5	Very high	22 Å²	22	11.1 Å²	11.1	10%	0.103	7%	0.066	C	C	.	.	H	α-helix	trans	-64.8	-43.5	177.1	-73.4	175	-9.6	0	0	111	F395 E412 T431 H439 N441 A446 L447 T448	F395-Q444 PolarHBondContact O-OE1 3.13Å; E412-Q444 PolarHBondContact OE1-NE2 2.7Å; T431-Q444 HydrophobicContact CG2-CB 3.98Å; H439-Q444 PolarHBondContact CE1-OE1 3.37Å; N441-Q444 HydrophobicContact CB-CB 4.14Å; N441-Q444 HydrophobicContact CB-CG 4.2Å; N441-Q444 VanDerWaalsContact ND2-CD 3.26Å; N441-Q444 PolarHBondContact ND2-NE2 3.04Å; N441-Q444 WeakPolarHBondContact O-CB 3.31Å; N441-Q444 PolarHBondContact O-N 3.16Å; N441-Q444 PolarHBondContact OD1-N 2.86Å; N441-Q444 VanDerWaalsContact OD1-N 3.17Å; Q444-A446 VanDerWaalsContact C-N 3.34Å; Q444-A446 PolarHBondContact O-N 3.39Å; Q444-L447 WeakPolarHBondContact O-CB 3.29Å; Q444-L447 PolarHBondContact O-N 2.84Å; Q444-L447 VanDerWaalsContact O-N 3.16Å; Q444-T448 WeakPolarHBondContact O-CG2 3.27Å; Q444-T448 PolarHBondContact O-N 2.74Å
445	L	94.4	Very high	92.8	Very high	2 Å²	2	11.1 Å²	11.1	1%	0.01	7%	0.066	C	C	.	.	H	α-helix	trans	-62.1	-40.3	174.5	179.9	58.6	0	0	0	112.2	T431 N441 M442 L447 T448 I457 T461 V546	T431-L445 HydrophobicContact CG2-CB 4.21Å; N441-L445 PolarHBondContact O-N 3.17Å; M442-L445 HydrophobicContact CE-CD2 3.76Å; M442-L445 HydrophobicContact SD-CD2 4Å; L445-L447 VanDerWaalsContact C-N 3.31Å; L445-L447 PolarHBondContact O-N 3.24Å; L445-T448 PolarHBondContact O-N 2.96Å; L445-T448 PolarHBondContact O-OG1 3.48Å; L445-I457 HydrophobicContact CD1-CG1 4.46Å; L445-T461 HydrophobicContact CD1-CG2 4.15Å; L445-T461 HydrophobicContact CD2-CG2 3.95Å; L445-V546 HydrophobicContact CD2-CG2 3.77Å
446	A	95.7	Very high	93.2	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-64.8	-38.7	175	0	0	0	0	0	111.8	M442 N443 Q444 T448 L449 L450 L549 I646	M442-A446 VanDerWaalsContact O-CB 3.22Å; M442-A446 WeakPolarHBondContact O-CB 3.41Å; M442-A446 PolarHBondContact O-N 3.31Å; N443-A446 PolarHBondContact O-N 2.81Å; Q444-A446 VanDerWaalsContact C-N 3.34Å; Q444-A446 PolarHBondContact O-N 3.39Å; A446-T448 PolarHBondContact O-N 3.31Å; A446-L449 PolarHBondContact O-N 2.92Å; A446-L450 HydrophobicContact CB-CD1 4.26Å; A446-L450 WeakPolarHBondContact O-CB 3.33Å; A446-L450 WeakPolarHBondContact O-CD1 3.31Å; A446-L450 WeakPolarHBondContact O-CG 3.48Å; A446-L450 PolarHBondContact O-N 3.3Å; A446-L549 HydrophobicContact CB-CD1 3.78Å; A446-L549 HydrophobicContact CB-CD2 4.3Å; A446-I646 HydrophobicContact CB-CD1 3.46Å; A446-I646 VanDerWaalsContact CB-CD1 3.46Å; A446-I646 HydrophobicContact CB-CG1 4.07Å; A446-I646 HydrophobicContact CB-CG2 4.15Å
447	L	95.8	Very high	93.5	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-62.8	-40.1	176.6	-76.6	169.6	0	0	0	112.8	F395 I413 N443 Q444 L445 L449 L450 L451 F579 I593	F395-L447 HydrophobicContact CE1-CB 4.15Å; F395-L447 HydrophobicContact CE1-CD1 4.45Å; I413-L447 HydrophobicContact CD1-CD1 3.99Å; I413-L447 HydrophobicContact CD1-CD2 3.66Å; I413-L447 HydrophobicContact CD1-CG 4.49Å; I413-L447 HydrophobicContact CG1-CD1 4.04Å; I413-L447 HydrophobicContact CG1-CD2 3.9Å; N443-L447 WeakPolarHBondContact O-CB 3.31Å; N443-L447 VanDerWaalsContact O-CG 3.22Å; N443-L447 WeakPolarHBondContact O-CG 3.44Å; N443-L447 PolarHBondContact O-N 3.47Å; Q444-L447 WeakPolarHBondContact O-CB 3.29Å; Q444-L447 PolarHBondContact O-N 2.84Å; Q444-L447 VanDerWaalsContact O-N 3.16Å; L445-L447 VanDerWaalsContact C-N 3.31Å; L445-L447 PolarHBondContact O-N 3.24Å; L447-L449 PolarHBondContact O-N 3.3Å; L447-L450 PolarHBondContact O-N 2.95Å; L447-L450 VanDerWaalsContact O-N 3.15Å; L447-L451 HydrophobicContact CB-CD1 4.08Å; L447-L451 HydrophobicContact CD2-CD1 4.39Å; L447-L451 HydrophobicContact CD2-CG 4.35Å; L447-L451 VanDerWaalsContact O-CB 3.31Å; L447-L451 WeakPolarHBondContact O-CB 3.43Å; L447-L451 WeakPolarHBondContact O-CD1 3.46Å; L447-L451 WeakPolarHBondContact O-CG 3.28Å; L447-L451 PolarHBondContact O-N 3.12Å; L447-F579 HydrophobicContact CD2-CE1 3.7Å; L447-F579 HydrophobicContact CD2-CZ 4.19Å; L447-I593 HydrophobicContact CD1-CG1 4.41Å; L447-I593 HydrophobicContact CD2-CD1 4.32Å; L447-I593 HydrophobicContact CD2-CG1 3.83Å; L447-I593 HydrophobicContact CG-CD1 4.41Å; L447-I593 HydrophobicContact CG-CG1 4.13Å
448	T	96.4	Very high	93.9	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-60.9	-29.6	176.7	67.2	0	0	0	0	112.4	F395 L429 T431 Q444 L445 A446	F395-T448 HydrophobicContact CB-CG2 3.85Å; F395-T448 HydrophobicContact CD2-CG2 4.02Å; F395-T448 HydrophobicContact CG-CG2 3.88Å; L429-T448 HydrophobicContact CB-CG2 3.98Å; T431-T448 HydrophobicContact CG2-CG2 4.12Å; Q444-T448 WeakPolarHBondContact O-CG2 3.27Å; Q444-T448 PolarHBondContact O-N 2.74Å; L445-T448 PolarHBondContact O-N 2.96Å; L445-T448 PolarHBondContact O-OG1 3.48Å; A446-T448 PolarHBondContact O-N 3.31Å
449	L	97.2	Very high	94.2	Very high	1 Å²	1	10 Å²	10	1%	0.005	6%	0.058	C	C	.	.	H	α-helix	trans	-85.1	-29.3	176.5	-71.9	160.5	0	0	0	113.3	V125 A446 L447 P455 I457 L549 V550 R553	V125-L449 HydrophobicContact CG1-CD2 4.26Å; V125-L449 HydrophobicContact CG2-CD2 3.95Å; A446-L449 PolarHBondContact O-N 2.92Å; L447-L449 PolarHBondContact O-N 3.3Å; L449-P455 HydrophobicContact CD2-CB 3.74Å; L449-P455 HydrophobicContact CD2-CG 4.23Å; L449-P455 HydrophobicContact CG-CB 4.4Å; L449-I457 HydrophobicContact CD1-CD1 4.49Å; L449-L549 HydrophobicContact CB-CB 4.13Å; L449-L549 HydrophobicContact CD1-CB 3.69Å; L449-L549 HydrophobicContact CD1-CD1 3.94Å; L449-L549 HydrophobicContact CD1-CG 4.45Å; L449-L549 HydrophobicContact CG-CB 4.46Å; L449-V550 HydrophobicContact CD1-CG2 4.28Å; L449-V550 HydrophobicContact CD2-CG2 3.86Å; L449-R553 WeakPolarHBondContact O-CD 3.5Å; L449-R553 PolarHBondContact O-NE 3.29Å
450	L	97.3	Very high	94.6	Very high	2 Å²	2	9.1 Å²	9.1	1%	0.01	5%	0.054	C	C	.	.	H	α-helix	trans	-94.7	-20.6	-174.2	-68.1	167.6	0	0	0	114.3	A446 L447 L549 L552 M558 F579 R581 V591 I646 V648	A446-L450 HydrophobicContact CB-CD1 4.26Å; A446-L450 WeakPolarHBondContact O-CB 3.33Å; A446-L450 WeakPolarHBondContact O-CD1 3.31Å; A446-L450 WeakPolarHBondContact O-CG 3.48Å; A446-L450 PolarHBondContact O-N 3.3Å; L447-L450 PolarHBondContact O-N 2.95Å; L447-L450 VanDerWaalsContact O-N 3.15Å; L450-L549 HydrophobicContact CD1-CD2 3.81Å; L450-L549 HydrophobicContact CD2-CD2 3.88Å; L450-L549 HydrophobicContact CG-CD2 3.78Å; L450-L552 HydrophobicContact CD2-CD2 4.1Å; L450-M558 HydrophobicContact CD2-CE 3.96Å; L450-M558 HydrophobicContact CD2-SD 4.38Å; L450-F579 HydrophobicContact CB-CZ 4.02Å; L450-R581 PolarHBondContact O-NH1 2.94Å; L450-V591 HydrophobicContact CB-CG1 4.37Å; L450-V591 HydrophobicContact CB-CG2 4.37Å; L450-V591 HydrophobicContact CD1-CG1 3.75Å; L450-V591 HydrophobicContact CD2-CG2 4.24Å; L450-I646 HydrophobicContact CD1-CG2 4.1Å; L450-V648 HydrophobicContact CD1-CG2 3.95Å; L450-V648 HydrophobicContact CD2-CG2 3.93Å
451	L	97	Very high	95.2	Very high	0 Å²	0	6.5 Å²	6.5	0%	0	4%	0.036	C	C	.	.	S	Bend	trans	-79.1	157.6	176.3	-69.6	168.2	0	0	0	111.7	F395 Y416 L429 L447 R553 M563 F579 R581	F395-L451 HydrophobicContact CE1-CD1 3.99Å; F395-L451 HydrophobicContact CE2-CD1 4.05Å; F395-L451 HydrophobicContact CZ-CD1 3.32Å; Y416-L451 HydrophobicContact CD1-CB 4.44Å; Y416-L451 HydrophobicContact CD1-CD1 3.83Å; Y416-L451 HydrophobicContact CD1-CD2 3.95Å; Y416-L451 HydrophobicContact CD1-CG 4.3Å; Y416-L451 HydrophobicContact CE1-CB 3.99Å; Y416-L451 HydrophobicContact CE1-CD1 4.13Å; Y416-L451 HydrophobicContact CE1-CD2 4.24Å; Y416-L451 HydrophobicContact CE1-CG 4.36Å; Y416-L451 HydrophobicContact CG-CD1 4.08Å; L429-L451 HydrophobicContact CD1-CB 3.88Å; L447-L451 HydrophobicContact CB-CD1 4.08Å; L447-L451 HydrophobicContact CD2-CD1 4.39Å; L447-L451 HydrophobicContact CD2-CG 4.35Å; L447-L451 VanDerWaalsContact O-CB 3.31Å; L447-L451 WeakPolarHBondContact O-CB 3.43Å; L447-L451 WeakPolarHBondContact O-CD1 3.46Å; L447-L451 WeakPolarHBondContact O-CG 3.28Å; L447-L451 PolarHBondContact O-N 3.12Å; L451-R553 PolarHBondContact O-NH2 3.32Å; L451-M563 HydrophobicContact CD2-CE 3.51Å; L451-M563 HydrophobicContact CD2-SD 3.54Å; L451-M563 VanDerWaalsContact CD2-SD 3.54Å; L451-F579 HydrophobicContact CD2-CD1 4.45Å; L451-F579 HydrophobicContact CD2-CE1 3.93Å; L451-F579 HydrophobicContact CD2-CE2 4.11Å; L451-F579 HydrophobicContact CD2-CZ 3.73Å; L451-F579 HydrophobicContact CG-CZ 4.22Å; L451-R581 PolarHBondContact O-NH1 3.44Å
452	P	96.6	Very high	95.5	Very high	10 Å²	10	4.2 Å²	4.2	7%	0.065	2%	0.023	C	C	.	.	S	Bend	trans	-54.2	151.6	161.3	-19	30.9	0	0	0	110.2	Y416 K424 L429 M563	Y416-P452 PolarHBondContact OH-O 3.5Å; K424-P452 HydrophobicContact CB-CB 4.25Å; K424-P452 HydrophobicContact CD-CB 4.26Å; K424-P452 HydrophobicContact CD-CG 4.37Å; L429-P452 WeakPolarHBondContact CD1-O 3.15Å; P452-M563 HydrophobicContact CG-CB 3.52Å
453	G	96.4	Very high	95.5	Very high	8 Å²	8	3.3 Å²	3.3	8%	0.082	2%	0.019	C	C	.	.	S	Bend	trans	118.2	-165.6	-178.5	0	0	0	0	0	113.9	K424 P455 R553	K424-G453 WeakPolarHBondContact O-CA 3.4Å; G453-P455 WeakPolarHBondContact O-CD 3.3Å; G453-R553 PolarHBondContact O-NH2 3.01Å
454	L	97.8	Very high	95.4	Very high	5 Å²	5	3.3 Å²	3.3	3%	0.026	2%	0.02	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	91.4	-165.5	-45.9	178.5	0	0	0	109.3	K122 L389 L427 G428 L429 I456	K122-L454 HydrophobicContact CB-CD2 4.24Å; K122-L454 HydrophobicContact CG-CD2 3.71Å; L389-L454 HydrophobicContact CB-CD1 3.92Å; L389-L454 HydrophobicContact CD1-CB 3.86Å; L389-L454 HydrophobicContact CD1-CD1 3.67Å; L389-L454 HydrophobicContact CD1-CG 4.42Å; L389-L454 HydrophobicContact CG-CB 4.49Å; L389-L454 HydrophobicContact CG-CD1 3.76Å; L427-L454 PolarHBondContact O-N 3.48Å; G428-L454 CarbonylContact C-O 3.55Å; G428-L454 VanDerWaalsContact CA-O 3.29Å; G428-L454 WeakPolarHBondContact CA-O 3.48Å; L429-L454 PolarHBondContact N-O 3.01Å; L454-I456 PolarHBondContact O-N 3.1Å
455	P	98.1	Very high	95.1	Very high	2 Å²	2	2.6 Å²	2.6	1%	0.013	2%	0.016	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	131.3	-175.9	25	-34	0	0	0	111.8	V125 G126 L449 G453 R553	V125-P455 HydrophobicContact CB-CG 4.39Å; V125-P455 HydrophobicContact CG1-CB 4.3Å; V125-P455 HydrophobicContact CG1-CG 4.41Å; V125-P455 HydrophobicContact CG2-CB 4.45Å; V125-P455 HydrophobicContact CG2-CG 3.84Å; G126-P455 PolarHBondContact N-O 3.17Å; L449-P455 HydrophobicContact CD2-CB 3.74Å; L449-P455 HydrophobicContact CD2-CG 4.23Å; L449-P455 HydrophobicContact CG-CB 4.4Å; G453-P455 WeakPolarHBondContact O-CD 3.3Å; P455-R553 HydrophobicContact CG-CG 4.45Å
456	I	98.2	Very high	94.4	Very high	0 Å²	0	3.6 Å²	3.6	0%	0	2%	0.022	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	121.2	172.5	-59.9	164.9	0	0	0	108	G126 W128 I165 L389 V391 L429 T430 L454	G126-I456 WeakPolarHBondContact O-CA 3.47Å; W128-I456 HydrophobicContact CB-CG2 3.79Å; W128-I456 HydrophobicContact CE3-CG2 4.47Å; I165-I456 HydrophobicContact CD1-CD1 4.01Å; I165-I456 HydrophobicContact CD1-CG1 4.47Å; I165-I456 HydrophobicContact CD1-CG2 4.32Å; L389-I456 HydrophobicContact CD1-CD1 3.9Å; L389-I456 HydrophobicContact CD2-CD1 3.86Å; V391-I456 HydrophobicContact CG2-CD1 4.47Å; L429-I456 PolarHBondContact O-N 3.48Å; T430-I456 WeakPolarHBondContact CB-O 3.28Å; T430-I456 PolarHBondContact OG1-O 3Å; L454-I456 PolarHBondContact O-N 3.1Å
457	I	97.8	Very high	93.2	Very high	0 Å²	0	5.2 Å²	5.2	0%	0	4%	0.038	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	122.8	172.8	-60.8	172.6	0	0	0	107.3	V125 G126 Y127 W128 V159 L445 L449 E462 V546 V550	V125-I457 HydrophobicContact CG1-CD1 3.94Å; V125-I457 HydrophobicContact CG1-CG1 4.06Å; G126-I457 PolarHBondContact O-N 3.48Å; Y127-I457 CarbonylContact C-O 3.44Å; Y127-I457 VanDerWaalsContact CA-O 3.29Å; Y127-I457 WeakPolarHBondContact CA-O 3.34Å; Y127-I457 HydrophobicContact CD2-CB 4.01Å; Y127-I457 HydrophobicContact CD2-CG2 3.98Å; Y127-I457 VanDerWaalsContact CD2-O 3.3Å; Y127-I457 WeakPolarHBondContact CD2-O 3.47Å; Y127-I457 HydrophobicContact CE2-CB 4.49Å; Y127-I457 HydrophobicContact CE2-CG2 3.95Å; W128-I457 PolarHBondContact N-O 3.29Å; V159-I457 HydrophobicContact CG1-CD1 4.01Å; L445-I457 HydrophobicContact CD1-CG1 4.46Å; L449-I457 HydrophobicContact CD1-CD1 4.49Å; I457-E462 HydrophobicContact CG2-CB 4.21Å; I457-V546 HydrophobicContact CD1-CG1 3.75Å; I457-V550 HydrophobicContact CD1-CG2 4.14Å
458	Y	96.9	Very high	92.3	Very high	2 Å²	2	5.6 Å²	5.6	1%	0.008	4%	0.04	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	139.2	170	-169.1	-100.7	0	0	0	109.6	W128 S432 T438 T461 S495	W128-Y458 HydrophobicContact CB-CD2 3.87Å; W128-Y458 AromaticContact CD2-CD2 3.99Å; W128-Y458 HydrophobicContact CD2-CD2 3.99Å; W128-Y458 HydrophobicContact CD2-CE2 4.22Å; W128-Y458 HydrophobicContact CE3-CD2 4.39Å; W128-Y458 AromaticContact CG-CD2 3.75Å; W128-Y458 HydrophobicContact CG-CD2 3.75Å; W128-Y458 HydrophobicContact CG-CE2 4.03Å; W128-Y458 CarbonylContact O-C 2.91Å; W128-Y458 VanDerWaalsContact O-CA 3.29Å; W128-Y458 WeakPolarHBondContact O-CA 3.21Å; W128-Y458 WeakPolarHBondContact O-CD2 3.38Å; S432-Y458 WeakPolarHBondContact O-CB 3.38Å; T438-Y458 HydrophobicContact CG2-CD1 4.33Å; Y458-T461 WeakPolarHBondContact O-CB 3.08Å; Y458-T461 PolarHBondContact O-N 3.1Å; Y458-T461 PolarHBondContact O-OG1 3.23Å; Y458-S495 WeakPolarHBondContact CE1-O 3.48Å; Y458-S495 PolarHBondContact OH-O 3.08Å
459	Y	96.4	Very high	91.4	Very high	9 Å²	9	10.1 Å²	10.1	4%	0.035	6%	0.06	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.2	141.7	-173.8	84.8	-74.7	0	0	0	112.6	Y127 W128 L129 D130 A133 F134 T461 S495 L497 M499	Y127-Y459 WeakPolarHBondContact OH-CA 3.41Å; Y127-Y459 WeakPolarHBondContact OH-CB 3.46Å; W128-Y459 PolarHBondContact O-N 3.49Å; L129-Y459 HydrophobicContact CB-CD1 4.22Å; L129-Y459 HydrophobicContact CB-CG 4.24Å; D130-Y459 HydrophobicContact CB-CE1 3.93Å; A133-Y459 HydrophobicContact CB-CE2 3.99Å; A133-Y459 WeakPolarHBondContact CB-OH 3.46Å; F134-Y459 HydrophobicContact CD2-CD2 4.24Å; Y459-T461 PolarHBondContact O-N 3.36Å; Y459-S495 PolarHBondContact OH-O 3.03Å; Y459-L497 VanDerWaalsContact CE2-O 3.31Å; Y459-L497 WeakPolarHBondContact CE2-O 3.4Å; Y459-L497 PolarHBondContact OH-N 3.32Å; Y459-L497 VanDerWaalsContact OH-N 3.17Å; Y459-L497 PolarHBondContact OH-O 2.9Å; Y459-M499 HydrophobicContact CD2-CB 4.03Å; Y459-M499 HydrophobicContact CD2-CG 4.41Å; Y459-M499 HydrophobicContact CD2-SD 3.8Å; Y459-M499 HydrophobicContact CE2-CB 4.2Å
460	G	93.1	Very high	90.2	Very high	1 Å²	1	14.7 Å²	14.7	1%	0.01	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.3	-26.4	-176.4	0	0	0	0	0	113.7	E462 T463 I465	G460-E462 WeakPolarHBondContact CA-OE1 3.33Å; G460-E462 PolarHBondContact N-OE1 3.2Å; G460-E462 PolarHBondContact N-OE2 2.65Å; G460-E462 PolarHBondContact O-N 3.11Å; G460-T463 PolarHBondContact O-N 3.45Å; G460-T463 PolarHBondContact O-OG1 2.92Å; G460-I465 WeakPolarHBondContact O-CG1 3.27Å
461	T	93.1	Very high	89.1	Confident	2 Å²	2	23 Å²	23	1%	0.012	12%	0.12	C	C	.	.	G	3₁₀ helix	trans	-59.9	-37.3	178.9	-48.9	0	0	0	0	111.2	T431 L445 Y458 Y459 T463 G464	T431-T461 WeakPolarHBondContact OG1-CG2 3.44Å; L445-T461 HydrophobicContact CD1-CG2 4.15Å; L445-T461 HydrophobicContact CD2-CG2 3.95Å; Y458-T461 WeakPolarHBondContact O-CB 3.08Å; Y458-T461 PolarHBondContact O-N 3.1Å; Y458-T461 PolarHBondContact O-OG1 3.23Å; Y459-T461 PolarHBondContact O-N 3.36Å; T461-T463 PolarHBondContact O-N 2.74Å; T461-T463 VanDerWaalsContact O-N 3.12Å; T461-G464 PolarHBondContact O-N 3.06Å
462	E	93.6	Very high	88.1	Confident	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.127	C	C	.	.	G	3₁₀ helix	trans	-62.1	-18.7	178.2	69.5	-69.9	160.8	0	0	113.9	Y127 Y154 I457 G460 M499 N542 L543 V546	Y127-E462 PolarHBondContact OH-OE1 2.99Å; Y154-E462 PolarHBondContact OH-OE1 3.35Å; I457-E462 HydrophobicContact CG2-CB 4.21Å; G460-E462 WeakPolarHBondContact CA-OE1 3.33Å; G460-E462 PolarHBondContact N-OE1 3.2Å; G460-E462 PolarHBondContact N-OE2 2.65Å; G460-E462 PolarHBondContact O-N 3.11Å; E462-M499 WeakPolarHBondContact OE1-CE 3.31Å; E462-N542 CarbonylContact O-C 3.52Å; E462-L543 HydrophobicContact CB-CD1 4.02Å; E462-L543 HydrophobicContact CG-CD1 3.7Å; E462-L543 PolarHBondContact O-N 3.07Å; E462-V546 HydrophobicContact CB-CB 4.43Å; E462-V546 HydrophobicContact CB-CG1 4.16Å; E462-V546 HydrophobicContact CB-CG2 4.11Å
463	T	91.3	Very high	87.5	Confident	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.129	C	C	.	.	G	3₁₀ helix	trans	-87.1	-16.4	175.1	68.6	0	0	0	0	112.2	G460 T461 I465 M499 P500 V530 Q533 N542	G460-T463 PolarHBondContact O-N 3.45Å; G460-T463 PolarHBondContact O-OG1 2.92Å; T461-T463 PolarHBondContact O-N 2.74Å; T461-T463 VanDerWaalsContact O-N 3.12Å; T463-I465 VanDerWaalsContact C-N 3.3Å; T463-I465 WeakPolarHBondContact OG1-CG2 3.4Å; T463-M499 HydrophobicContact CG2-CE 4.27Å; T463-P500 HydrophobicContact CG2-CG 4.35Å; T463-V530 HydrophobicContact CG2-CG2 3.85Å; T463-Q533 VanDerWaalsContact CB-NE2 3.31Å; T463-Q533 PolarHBondContact O-NE2 3.17Å; T463-N542 PolarHBondContact O-ND2 2.93Å
464	G	88.7	Confident	86.9	Confident	3 Å²	3	24.7 Å²	24.7	3%	0.031	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.4	17.6	-176.4	0	0	0	0	0	114.4	T461 N466	T461-G464 PolarHBondContact O-N 3.06Å; G464-N466 PolarHBondContact O-ND2 3.02Å
465	I	85.8	Confident	86.5	Confident	7 Å²	7	32.3 Å²	32.3	4%	0.036	16%	0.163	C	C	.	.			trans	-57.1	139.9	170.6	51.9	159.2	0	0	0	110.8	G460 T463 P500 Y524	G460-I465 WeakPolarHBondContact O-CG1 3.27Å; T463-I465 VanDerWaalsContact C-N 3.3Å; T463-I465 WeakPolarHBondContact OG1-CG2 3.4Å; I465-P500 HydrophobicContact CD1-CG 4.08Å; I465-P500 HydrophobicContact CG2-CB 4.49Å; I465-P500 HydrophobicContact CG2-CG 4.03Å; I465-Y524 HydrophobicContact CB-CD1 4.1Å; I465-Y524 HydrophobicContact CB-CE1 4.12Å; I465-Y524 HydrophobicContact CD1-CE1 4.15Å
466	N	78.4	Confident	86.2	Confident	24 Å²	24	37.8 Å²	37.8	13%	0.128	19%	0.192	C	C	.	.			trans	-161.4	158.6	-175.8	72.5	93.1	0	0	0	112.4	S440 G464 L468 Y524 D525	S440-N466 WeakPolarHBondContact CB-ND2 3.29Å; S440-N466 VanDerWaalsContact OG-CB 3.27Å; S440-N466 WeakPolarHBondContact OG-CB 3.12Å; S440-N466 PolarHBondContact OG-ND2 3.08Å; S440-N466 PolarHBondContact OG-OD1 3.15Å; G464-N466 PolarHBondContact O-ND2 3.02Å; N466-L468 PolarHBondContact O-N 2.86Å; N466-Y524 WeakPolarHBondContact O-CD1 3.49Å; N466-D525 PolarHBondContact O-N 2.88Å
467	G	71.2	Confident	86	Confident	33 Å²	33	37.8 Å²	37.8	34%	0.34	19%	0.192	S	C	.	.			trans	71.2	33.3	164.5	0	0	0	0	0	113.7	K469	G467-K469 PolarHBondContact O-N 2.78Å
468	L	78	Confident	85.8	Confident	8 Å²	8	37.8 Å²	37.8	4%	0.042	19%	0.192	C	C	.	.			trans	-57.5	118.9	174.8	-174	67.6	0	0	0	109.7	N466 L470 A472 I473 L497 Y520 Y524	N466-L468 PolarHBondContact O-N 2.86Å; L468-L470 PolarHBondContact O-N 2.61Å; L468-A472 HydrophobicContact CD1-CB 3.81Å; L468-A472 HydrophobicContact CG-CB 4.45Å; L468-I473 HydrophobicContact CD2-CG1 3.99Å; L468-L497 HydrophobicContact CD2-CD1 3.15Å; L468-Y520 HydrophobicContact CD2-CE2 4.33Å; L468-Y524 HydrophobicContact CB-CD1 3.87Å; L468-Y524 HydrophobicContact CB-CE1 3.64Å; L468-Y524 HydrophobicContact CB-CG 4.46Å; L468-Y524 HydrophobicContact CD1-CD1 4.38Å; L468-Y524 HydrophobicContact CD1-CD2 3.89Å; L468-Y524 HydrophobicContact CD1-CE1 4.36Å; L468-Y524 HydrophobicContact CD1-CE2 3.87Å; L468-Y524 HydrophobicContact CD1-CG 4.15Å; L468-Y524 HydrophobicContact CG-CE1 4.44Å
469	K	76.3	Confident	85.7	Confident	96 Å²	96	37.8 Å²	37.8	42%	0.417	19%	0.192	S	C	.	.			trans	-65.2	133.2	175.9	-63.1	173.4	-173.3	168.2	0	108.9	G467 F471 A472 G523	G467-K469 PolarHBondContact O-N 2.78Å; K469-F471 HydrophobicContact CB-CD1 3.9Å; K469-F471 HydrophobicContact CB-CE1 3.47Å; K469-F471 VanDerWaalsContact CB-CE1 3.47Å; K469-F471 HydrophobicContact CB-CE2 4.36Å; K469-F471 HydrophobicContact CB-CZ 3.73Å; K469-F471 HydrophobicContact CD-CE1 3.73Å; K469-F471 HydrophobicContact CD-CE2 4.48Å; K469-F471 HydrophobicContact CD-CZ 3.48Å; K469-F471 VanDerWaalsContact CD-CZ 3.48Å; K469-F471 HydrophobicContact CG-CE1 4.08Å; K469-F471 HydrophobicContact CG-CZ 4.19Å; K469-F471 PolarHBondContact O-N 2.81Å; K469-F471 VanDerWaalsContact O-N 3.09Å; K469-A472 HydrophobicContact CB-CB 4.44Å; K469-A472 WeakPolarHBondContact O-CA 3.47Å; K469-A472 VanDerWaalsContact O-CB 3.29Å; K469-A472 WeakPolarHBondContact O-CB 3.33Å; K469-A472 PolarHBondContact O-N 2.67Å; K469-G523 PolarHBondContact N-O 3.33Å
470	L	72.2	Confident	85.6	Confident	96 Å²	96	40.9 Å²	40.9	50%	0.503	21%	0.206	S	C	.	.	G	3₁₀ helix	trans	-53.4	-37	-173.8	-72.3	170.9	0	0	0	113.7	L468 A472 I473 F490	L468-L470 PolarHBondContact O-N 2.61Å; L470-A472 PolarHBondContact O-N 2.96Å; L470-I473 HydrophobicContact CD2-CD1 4.36Å; L470-I473 WeakPolarHBondContact O-CG1 3.48Å; L470-I473 PolarHBondContact O-N 2.91Å; L470-F490 HydrophobicContact CD2-CB 4.15Å; L470-F490 HydrophobicContact CD2-CD2 4.08Å; L470-F490 HydrophobicContact CD2-CG 4.43Å
471	F	73.4	Confident	85.4	Confident	177 Å²	177	42.9 Å²	42.9	78%	0.776	23%	0.226	S	C	*	.	G	3₁₀ helix	trans	-70.8	-13.1	178.2	64.1	-98.2	0	0	0	114	K469	K469-F471 HydrophobicContact CB-CD1 3.9Å; K469-F471 HydrophobicContact CB-CE1 3.47Å; K469-F471 VanDerWaalsContact CB-CE1 3.47Å; K469-F471 HydrophobicContact CB-CE2 4.36Å; K469-F471 HydrophobicContact CB-CZ 3.73Å; K469-F471 HydrophobicContact CD-CE1 3.73Å; K469-F471 HydrophobicContact CD-CE2 4.48Å; K469-F471 HydrophobicContact CD-CZ 3.48Å; K469-F471 VanDerWaalsContact CD-CZ 3.48Å; K469-F471 HydrophobicContact CG-CE1 4.08Å; K469-F471 HydrophobicContact CG-CZ 4.19Å; K469-F471 PolarHBondContact O-N 2.81Å; K469-F471 VanDerWaalsContact O-N 3.09Å
472	A	77.5	Confident	85.4	Confident	16 Å²	16	43.8 Å²	43.8	13%	0.132	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-94.1	3.9	-179.8	0	0	0	0	0	113.1	L468 K469 L470 P474	L468-A472 HydrophobicContact CD1-CB 3.81Å; L468-A472 HydrophobicContact CG-CB 4.45Å; K469-A472 HydrophobicContact CB-CB 4.44Å; K469-A472 WeakPolarHBondContact O-CA 3.47Å; K469-A472 VanDerWaalsContact O-CB 3.29Å; K469-A472 WeakPolarHBondContact O-CB 3.33Å; K469-A472 PolarHBondContact O-N 2.67Å; L470-A472 PolarHBondContact O-N 2.96Å; A472-P474 VanDerWaalsContact O-CD 3.3Å; A472-P474 WeakPolarHBondContact O-CD 3.31Å
473	I	82.4	Confident	85.3	Confident	24 Å²	24	45.9 Å²	45.9	12%	0.123	24%	0.241	C	C	.	.			trans	-64.4	116.8	172.6	-63.4	173.8	0	0	0	108.4	L468 L470 K475 F490 R494 L497	L468-I473 HydrophobicContact CD2-CG1 3.99Å; L470-I473 HydrophobicContact CD2-CD1 4.36Å; L470-I473 WeakPolarHBondContact O-CG1 3.48Å; L470-I473 PolarHBondContact O-N 2.91Å; I473-K475 PolarHBondContact O-N 3.26Å; I473-F490 HydrophobicContact CD1-CB 3.6Å; I473-F490 HydrophobicContact CD1-CD1 3.52Å; I473-F490 HydrophobicContact CD1-CD2 4.37Å; I473-F490 HydrophobicContact CD1-CE1 4.24Å; I473-F490 HydrophobicContact CD1-CG 3.6Å; I473-R494 HydrophobicContact CD1-CG 4.15Å; I473-L497 HydrophobicContact CG2-CD2 4.32Å
474	P	84.4	Confident	85.3	Confident	14 Å²	14	46.1 Å²	46.1	9%	0.091	24%	0.241	C	C	.	.			trans	-71.7	128.7	-174.1	29.1	-34.5	0	0	0	110.6	A472 L477 Y520	A472-P474 VanDerWaalsContact O-CD 3.3Å; A472-P474 WeakPolarHBondContact O-CD 3.31Å; P474-L477 HydrophobicContact CB-CB 3.84Å; P474-L477 HydrophobicContact CB-CD1 3.84Å; P474-L477 HydrophobicContact CB-CG 3.98Å; P474-L477 HydrophobicContact CG-CB 3.81Å; P474-L477 HydrophobicContact CG-CD1 3.97Å; P474-L477 HydrophobicContact CG-CG 4.31Å; P474-Y520 HydrophobicContact CG-CD2 3.87Å; P474-Y520 HydrophobicContact CG-CE2 4.46Å; P474-Y520 HydrophobicContact CG-CG 4.21Å
475	K	89.4	Confident	85.4	Confident	165 Å²	165	46 Å²	46	72%	0.717	24%	0.24	S	C	*	.	S	Bend	trans	-81.3	-22.3	175.8	-66.8	-174	179.4	-178.2	0	113.6	I473 K480	I473-K475 PolarHBondContact O-N 3.26Å; K475-K480 CarbonylContact O-C 3.58Å; K475-K480 VanDerWaalsContact O-C 3.23Å; K475-K480 VanDerWaalsContact O-CA 3.23Å; K475-K480 WeakPolarHBondContact O-CA 3.43Å
476	N	91.5	Very high	85.4	Confident	116 Å²	116	48.5 Å²	48.5	62%	0.62	25%	0.254	S	S	*	.	S	Bend	trans	-102.7	-12.3	-174.8	-62.1	-17.4	0	0	0	113.4
477	L	93.8	Very high	85.8	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.249	C	C	.	.	S	Bend	trans	-98.1	159.6	170.2	-59.8	173	0	0	0	109.1	L141 P474 K480 P498 L512 T516 F517 Y520	L141-L477 HydrophobicContact CD1-CD2 4.38Å; P474-L477 HydrophobicContact CB-CB 3.84Å; P474-L477 HydrophobicContact CB-CD1 3.84Å; P474-L477 HydrophobicContact CB-CG 3.98Å; P474-L477 HydrophobicContact CG-CB 3.81Å; P474-L477 HydrophobicContact CG-CD1 3.97Å; P474-L477 HydrophobicContact CG-CG 4.31Å; L477-K480 VanDerWaalsContact O-CA 3.23Å; L477-K480 WeakPolarHBondContact O-CA 3.41Å; L477-K480 PolarHBondContact O-N 3.11Å; L477-P498 HydrophobicContact CB-CG 4Å; L477-L512 HydrophobicContact CD2-CD1 4.19Å; L477-L512 HydrophobicContact CD2-CD2 3.93Å; L477-T516 HydrophobicContact CD1-CG2 4.16Å; L477-T516 HydrophobicContact CD2-CG2 4.28Å; L477-T516 HydrophobicContact CG-CG2 3.96Å; L477-F517 HydrophobicContact CD1-CD2 3.8Å; L477-F517 HydrophobicContact CD1-CE2 4.45Å; L477-F517 HydrophobicContact CD1-CG 4.48Å; L477-F517 HydrophobicContact CD2-CD2 4.31Å; L477-Y520 HydrophobicContact CD1-CD1 4.22Å; L477-Y520 HydrophobicContact CD1-CG 4.22Å
478	Y	94.8	Very high	85.9	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-46.1	132.6	172.1	-178.7	-94.6	0	0	0	111.2	D130 F132 A133 I142 Y174 H496 P498	D130-Y478 WeakPolarHBondContact OD2-CE1 3.33Å; D130-Y478 PolarHBondContact OD2-OH 3.41Å; F132-Y478 HydrophobicContact CB-CD1 4.41Å; F132-Y478 HydrophobicContact CB-CD2 3.8Å; F132-Y478 HydrophobicContact CB-CE1 3.9Å; F132-Y478 HydrophobicContact CB-CE2 3.23Å; F132-Y478 HydrophobicContact CB-CG 4.38Å; F132-Y478 HydrophobicContact CG-CE2 4.03Å; A133-Y478 HydrophobicContact CB-CD1 3.73Å; A133-Y478 HydrophobicContact CB-CE1 3.82Å; I142-Y478 HydrophobicContact CG1-CD2 4.43Å; I142-Y478 HydrophobicContact CG2-CD2 4.08Å; Y174-Y478 HydrophobicContact CD2-CD2 4.19Å; Y174-Y478 AromaticContact CD2-CE2 3.5Å; Y174-Y478 HydrophobicContact CD2-CE2 3.5Å; Y174-Y478 VanDerWaalsContact CD2-CE2 3.5Å; Y174-Y478 AromaticContact CE2-CD2 3.83Å; Y174-Y478 HydrophobicContact CE2-CD2 3.83Å; Y174-Y478 AromaticContact CE2-CE2 3.59Å; Y174-Y478 HydrophobicContact CE2-CE2 3.59Å; Y174-Y478 HydrophobicContact CG-CE2 4.38Å; Y478-H496 WeakPolarHBondContact CD1-O 3.36Å; Y478-H496 HydrophobicContact CE1-CB 4.01Å; Y478-H496 WeakPolarHBondContact CE1-O 3.15Å; Y478-P498 VanDerWaalsContact O-CD 3.29Å; Y478-P498 WeakPolarHBondContact O-CD 3.34Å; Y478-P498 WeakPolarHBondContact O-CG 3.46Å
479	P	94.5	Very high	85.7	Confident	2 Å²	2	56.5 Å²	56.5	1%	0.013	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	cis	-87.5	20.6	9	36.9	-38.6	0	0	0	116	L181 G481 K482 T493	L181-P479 HydrophobicContact CD1-CB 3.72Å; L181-P479 HydrophobicContact CD1-CG 4.22Å; L181-P479 HydrophobicContact CD2-CB 4.08Å; L181-P479 HydrophobicContact CG-CB 4.2Å; P479-G481 PolarHBondContact O-N 3.19Å; P479-K482 HydrophobicContact CB-CB 4.29Å; P479-K482 WeakPolarHBondContact CG-O 3.46Å; P479-K482 WeakPolarHBondContact O-CB 2.97Å; P479-K482 WeakPolarHBondContact O-CG 3.49Å; P479-K482 PolarHBondContact O-N 3.3Å; P479-T493 HydrophobicContact CG-CG2 4.22Å
480	K	93.5	Very high	85.7	Confident	75 Å²	75	55.4 Å²	55.4	33%	0.326	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.9	45.6	178.5	-62.6	-172.3	179.4	172	0	113.4	D140 K475 L477 K482	D140-K480 VanDerWaalsContact O-CE 3.27Å; D140-K480 WeakPolarHBondContact O-CE 3.3Å; D140-K480 PolarHBondContact O-NZ 2.81Å; K475-K480 CarbonylContact O-C 3.58Å; K475-K480 VanDerWaalsContact O-C 3.23Å; K475-K480 VanDerWaalsContact O-CA 3.23Å; K475-K480 WeakPolarHBondContact O-CA 3.43Å; L477-K480 VanDerWaalsContact O-CA 3.23Å; L477-K480 WeakPolarHBondContact O-CA 3.41Å; L477-K480 PolarHBondContact O-N 3.11Å; K480-K482 VanDerWaalsContact C-N 3.25Å; K480-K482 PolarHBondContact O-N 2.84Å
481	G	89.7	Confident	86.3	Confident	42 Å²	42	53 Å²	53	43%	0.433	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.9	-0.9	180	0	0	0	0	0	115.5	P479	P479-G481 PolarHBondContact O-N 3.19Å
482	K	93.4	Very high	87	Confident	21 Å²	21	44.6 Å²	44.6	9%	0.091	24%	0.236	C	C	.	.			trans	-69	145.4	171.4	-61.8	-177.2	-177	174.3	0	110.7	Y174 N179 L181 P479 K480	Y174-K482 HydrophobicContact CD2-CD 4Å; Y174-K482 HydrophobicContact CE2-CD 3.72Å; Y174-K482 PolarHBondContact O-NZ 3.23Å; N179-K482 WeakPolarHBondContact OD1-CE 3.27Å; N179-K482 WeakPolarHBondContact OD1-CG 3.34Å; L181-K482 HydrophobicContact CD2-CB 4.2Å; L181-K482 HydrophobicContact CD2-CD 4.21Å; L181-K482 HydrophobicContact CG-CB 4.21Å; P479-K482 HydrophobicContact CB-CB 4.29Å; P479-K482 WeakPolarHBondContact CG-O 3.46Å; P479-K482 WeakPolarHBondContact O-CB 2.97Å; P479-K482 WeakPolarHBondContact O-CG 3.49Å; P479-K482 PolarHBondContact O-N 3.3Å; K480-K482 VanDerWaalsContact C-N 3.25Å; K480-K482 PolarHBondContact O-N 2.84Å
483	L	92.1	Very high	87.7	Confident	44 Å²	44	43.9 Å²	43.9	23%	0.23	23%	0.23	C	C	.	.			trans	-107	144.9	176.5	-57.7	-177.6	0	0	0	110.2	M180 L181 N485 F490 T493	M180-L483 WeakPolarHBondContact CB-O 3.14Å; L181-L483 PolarHBondContact N-O 3.25Å; L483-N485 PolarHBondContact O-N 2.69Å; L483-F490 HydrophobicContact CD2-CD1 3.4Å; L483-F490 HydrophobicContact CD2-CE1 3.23Å; L483-F490 HydrophobicContact CD2-CG 4.45Å; L483-F490 HydrophobicContact CD2-CZ 4.14Å; L483-T493 HydrophobicContact CD2-CG2 4.39Å
484	Y	91.3	Very high	88	Confident	5 Å²	5	45.1 Å²	45.1	2%	0.02	23%	0.233	C	C	.	.	B	Isolated β-bridge	trans	-70.5	121.3	172.2	-169.7	-88.4	0	0	0	110.4	F173 L181 N486 E487 S492 T493 H496	F173-Y484 HydrophobicContact CE2-CE2 4.32Å; F173-Y484 HydrophobicContact CZ-CE2 4.45Å; L181-Y484 HydrophobicContact CB-CD2 3.99Å; Y484-N486 PolarHBondContact O-N 3.44Å; Y484-E487 WeakPolarHBondContact O-CB 3.48Å; Y484-E487 WeakPolarHBondContact O-CG 3.26Å; Y484-E487 PolarHBondContact O-N 2.81Å; Y484-S492 VanDerWaalsContact CD1-CB 3.48Å; Y484-T493 PolarHBondContact N-OG1 2.82Å; Y484-H496 AromaticContact CD2-CD2 3.8Å; Y484-H496 AromaticContact CD2-NE2 3.34Å; Y484-H496 VanDerWaalsContact CD2-NE2 3.34Å; Y484-H496 WeakPolarHBondContact CD2-NE2 3.43Å; Y484-H496 AromaticContact CE2-NE2 3.51Å
485	N	89.5	Confident	88.4	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.1	18.2	-175.9	-79.4	-40.5	0	0	0	116.2	M180 L181 Y251 K253 N272 L483 E487	M180-N485 HydrophobicContact CE-CB 4.39Å; L181-N485 PolarHBondContact O-N 2.96Å; Y251-N485 HydrophobicContact CD2-CB 3.78Å; Y251-N485 HydrophobicContact CE2-CB 3.22Å; K253-N485 PolarHBondContact NZ-O 2.91Å; N272-N485 PolarHBondContact ND2-OD1 3.17Å; L483-N485 PolarHBondContact O-N 2.69Å; N485-E487 PolarHBondContact O-N 3.19Å
486	N	86.4	Confident	88.6	Confident	61 Å²	61	36.8 Å²	36.8	33%	0.326	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.1	41	-166.9	-68.2	-21.4	0	0	0	112.3	M180 Y484	M180-N486 VanDerWaalsContact CB-OD1 3.25Å; M180-N486 WeakPolarHBondContact CB-OD1 2.98Å; M180-N486 HydrophobicContact CE-CB 4.43Å; M180-N486 PolarHBondContact SD-ND2 3.49Å; Y484-N486 PolarHBondContact O-N 3.44Å
487	E	86	Confident	88.7	Confident	5 Å²	5	31.5 Å²	31.5	2%	0.023	17%	0.167	C	C	.	.			trans	-63.1	144.8	174.7	73	-173.4	169.1	0	0	111.4	Y251 Y484 N485 F490 W491 S492 T493	Y251-E487 HydrophobicContact CD1-CB 3.55Å; Y251-E487 HydrophobicContact CE1-CB 3.56Å; Y251-E487 HydrophobicContact CG-CB 4.33Å; Y484-E487 WeakPolarHBondContact O-CB 3.48Å; Y484-E487 WeakPolarHBondContact O-CG 3.26Å; Y484-E487 PolarHBondContact O-N 2.81Å; N485-E487 PolarHBondContact O-N 3.19Å; E487-F490 WeakPolarHBondContact OE1-CA 3.44Å; E487-W491 PolarHBondContact OE1-N 2.91Å; E487-S492 VanDerWaalsContact CD-N 3.3Å; E487-S492 WeakPolarHBondContact OE1-CA 2.87Å; E487-S492 PolarHBondContact OE1-N 3.47Å; E487-S492 WeakPolarHBondContact OE2-CB 3.23Å; E487-S492 PolarHBondContact OE2-N 2.81Å; E487-S492 PolarHBondContact OE2-OG 2.91Å; E487-T493 WeakPolarHBondContact OE1-CB 3.13Å; E487-T493 PolarHBondContact OE1-N 2.77Å; E487-T493 PolarHBondContact OE1-OG1 2.88Å
488	E	74.6	Confident	88.8	Confident	184 Å²	184	31.5 Å²	31.5	86%	0.86	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.8	130.7	166.3	-63.6	-174.1	172.7	0	0	109.1
489	G	74.1	Confident	88.9	Confident	43 Å²	43	31.5 Å²	31.5	44%	0.443	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	100.7	-1.6	175.3	0	0	0	0	0	116.6	W491	G489-W491 PolarHBondContact O-N 3Å; G489-W491 VanDerWaalsContact O-N 3.17Å
490	F	76.1	Confident	88.9	Confident	73 Å²	73	31.5 Å²	31.5	32%	0.32	17%	0.167	S	C	.	.			trans	59.6	24.1	171.5	-51.8	-100.3	0	0	0	114.6	L470 I473 L483 E487 T493 R494	L470-F490 HydrophobicContact CD2-CB 4.15Å; L470-F490 HydrophobicContact CD2-CD2 4.08Å; L470-F490 HydrophobicContact CD2-CG 4.43Å; I473-F490 HydrophobicContact CD1-CB 3.6Å; I473-F490 HydrophobicContact CD1-CD1 3.52Å; I473-F490 HydrophobicContact CD1-CD2 4.37Å; I473-F490 HydrophobicContact CD1-CE1 4.24Å; I473-F490 HydrophobicContact CD1-CG 3.6Å; L483-F490 HydrophobicContact CD2-CD1 3.4Å; L483-F490 HydrophobicContact CD2-CE1 3.23Å; L483-F490 HydrophobicContact CD2-CG 4.45Å; L483-F490 HydrophobicContact CD2-CZ 4.14Å; E487-F490 WeakPolarHBondContact OE1-CA 3.44Å; F490-T493 HydrophobicContact CD1-CG2 4.4Å; F490-R494 VanDerWaalsContact O-CG 3.27Å; F490-R494 WeakPolarHBondContact O-CG 3.33Å; F490-R494 PolarHBondContact O-N 3.35Å; F490-R494 VanDerWaalsContact O-N 3.1Å; F490-R494 PolarHBondContact O-NE 3Å
491	W	83.6	Confident	89	Confident	47 Å²	47	27.9 Å²	27.9	18%	0.178	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-60.7	-174.1	-173.9	-96.3	0	0	0	112.1	F397 N435 P437 E487 G489 T493 R494	F397-W491 HydrophobicContact CB-CZ2 4.49Å; F397-W491 AromaticContact CD1-CH2 3.42Å; F397-W491 HydrophobicContact CD1-CH2 3.42Å; F397-W491 VanDerWaalsContact CD1-CH2 3.42Å; F397-W491 AromaticContact CD1-CZ2 3.96Å; F397-W491 HydrophobicContact CD1-CZ2 3.96Å; F397-W491 AromaticContact CE1-CH2 3.85Å; F397-W491 HydrophobicContact CE1-CH2 3.85Å; F397-W491 HydrophobicContact CG-CH2 4.28Å; N435-W491 VanDerWaalsContact O-CD1 3.26Å; N435-W491 PolarHBondContact O-NE1 2.91Å; P437-W491 VanDerWaalsContact CD-CE2 3.5Å; P437-W491 HydrophobicContact CG-CD2 4.33Å; P437-W491 HydrophobicContact CG-CH2 4.29Å; P437-W491 HydrophobicContact CG-CZ2 3.99Å; E487-W491 PolarHBondContact OE1-N 2.91Å; G489-W491 PolarHBondContact O-N 3Å; G489-W491 VanDerWaalsContact O-N 3.17Å; W491-T493 VanDerWaalsContact C-N 3.34Å; W491-R494 PolarHBondContact O-N 3.07Å
492	S	89.1	Confident	89.3	Confident	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-36.2	178.2	-48.2	0	0	0	0	111.1	Y484 E487 R494 S495 H496	Y484-S492 VanDerWaalsContact CD1-CB 3.48Å; E487-S492 VanDerWaalsContact CD-N 3.3Å; E487-S492 WeakPolarHBondContact OE1-CA 2.87Å; E487-S492 PolarHBondContact OE1-N 3.47Å; E487-S492 WeakPolarHBondContact OE2-CB 3.23Å; E487-S492 PolarHBondContact OE2-N 2.81Å; E487-S492 PolarHBondContact OE2-OG 2.91Å; S492-R494 PolarHBondContact O-N 3.48Å; S492-S495 WeakPolarHBondContact O-CA 3.09Å; S492-S495 WeakPolarHBondContact O-CB 3.31Å; S492-S495 PolarHBondContact O-N 2.57Å; S492-S495 PolarHBondContact O-OG 3.15Å; S492-H496 PolarHBondContact O-CD2 3.43Å; S492-H496 VanDerWaalsContact O-CD2 3.31Å
493	T	90.7	Very high	89.3	Confident	1 Å²	1	29.8 Å²	29.8	1%	0.006	15%	0.148	C	C	.	.	G	3₁₀ helix	trans	-56.8	-36.1	178.9	-54.1	0	0	0	0	111.8	P479 L483 Y484 E487 F490 W491 S495 H496	P479-T493 HydrophobicContact CG-CG2 4.22Å; L483-T493 HydrophobicContact CD2-CG2 4.39Å; Y484-T493 PolarHBondContact N-OG1 2.82Å; E487-T493 WeakPolarHBondContact OE1-CB 3.13Å; E487-T493 PolarHBondContact OE1-N 2.77Å; E487-T493 PolarHBondContact OE1-OG1 2.88Å; F490-T493 HydrophobicContact CD1-CG2 4.4Å; W491-T493 VanDerWaalsContact C-N 3.34Å; T493-S495 PolarHBondContact O-N 2.72Å; T493-H496 PolarHBondContact O-N 3.2Å; T493-H496 VanDerWaalsContact O-N 3.09Å
494	R	90.4	Very high	89.4	Confident	50 Å²	50	29.5 Å²	29.5	19%	0.189	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-67	-15	175.2	-76.2	-177.1	-56.7	158.1	8.5	114	P437 I473 F490 W491 S492 H496 L497	P437-R494 HydrophobicContact CB-CB 3.82Å; P437-R494 HydrophobicContact CG-CB 4.42Å; I473-R494 HydrophobicContact CD1-CG 4.15Å; F490-R494 VanDerWaalsContact O-CG 3.27Å; F490-R494 WeakPolarHBondContact O-CG 3.33Å; F490-R494 PolarHBondContact O-N 3.35Å; F490-R494 VanDerWaalsContact O-N 3.1Å; F490-R494 PolarHBondContact O-NE 3Å; W491-R494 PolarHBondContact O-N 3.07Å; S492-R494 PolarHBondContact O-N 3.48Å; R494-H496 VanDerWaalsContact C-N 3.25Å; R494-L497 HydrophobicContact CB-CD1 4.27Å; R494-L497 HydrophobicContact CG-CD1 4.24Å
495	S	91.9	Very high	89.6	Confident	2 Å²	2	29.2 Å²	29.2	1%	0.014	15%	0.149	C	C	.	.	G	3₁₀ helix	trans	-80	-8.8	173.8	-38.4	0	0	0	0	112.8	T433 S434 N436 P437 Y458 Y459 S492 T493	T433-S495 VanDerWaalsContact O-CB 3.32Å; T433-S495 WeakPolarHBondContact O-CB 3.12Å; T433-S495 PolarHBondContact O-OG 3.33Å; S434-S495 WeakPolarHBondContact O-CB 3.44Å; N436-S495 PolarHBondContact N-OG 2.9Å; P437-S495 WeakPolarHBondContact CA-OG 3.32Å; Y458-S495 WeakPolarHBondContact CE1-O 3.48Å; Y458-S495 PolarHBondContact OH-O 3.08Å; Y459-S495 PolarHBondContact OH-O 3.03Å; S492-S495 WeakPolarHBondContact O-CA 3.09Å; S492-S495 WeakPolarHBondContact O-CB 3.31Å; S492-S495 PolarHBondContact O-N 2.57Å; S492-S495 PolarHBondContact O-OG 3.15Å; T493-S495 PolarHBondContact O-N 2.72Å
496	H	94.2	Very high	90	Very high	2 Å²	2	37 Å²	37	1%	0.009	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-112.7	26.3	-174.8	-67.8	-76.5	0	0	0	111.9	D130 F173 L181 S434 Y478 Y484 S492 T493 R494	D130-H496 IonicContact OD2-CE1 2.99Å; D130-H496 IonicContact OD2-CG 3.96Å; D130-H496 IonicContact OD2-ND1 3.39Å; D130-H496 PolarHBondContact OD2-ND1 3.33Å; F173-H496 AromaticContact CZ-CE1 3.88Å; L181-H496 HydrophobicContact CD1-CB 4.03Å; S434-H496 PolarHBondContact O-NE2 3.07Å; S434-H496 VanDerWaalsContact O-NE2 3.13Å; Y478-H496 WeakPolarHBondContact CD1-O 3.36Å; Y478-H496 HydrophobicContact CE1-CB 4.01Å; Y478-H496 WeakPolarHBondContact CE1-O 3.15Å; Y484-H496 AromaticContact CD2-CD2 3.8Å; Y484-H496 AromaticContact CD2-NE2 3.34Å; Y484-H496 VanDerWaalsContact CD2-NE2 3.34Å; Y484-H496 WeakPolarHBondContact CD2-NE2 3.43Å; Y484-H496 AromaticContact CE2-NE2 3.51Å; S492-H496 PolarHBondContact O-CD2 3.43Å; S492-H496 VanDerWaalsContact O-CD2 3.31Å; T493-H496 PolarHBondContact O-N 3.2Å; T493-H496 VanDerWaalsContact O-N 3.09Å; R494-H496 VanDerWaalsContact C-N 3.25Å
497	L	93.8	Very high	90.5	Very high	5 Å²	5	37.7 Å²	37.7	3%	0.026	18%	0.176	C	C	.	.	P	Polyproline II helix	trans	-91.4	151.6	-175.9	-62.4	177.7	0	0	0	112.2	Y459 L468 I473 R494 M499 Y520	Y459-L497 VanDerWaalsContact CE2-O 3.31Å; Y459-L497 WeakPolarHBondContact CE2-O 3.4Å; Y459-L497 PolarHBondContact OH-N 3.32Å; Y459-L497 VanDerWaalsContact OH-N 3.17Å; Y459-L497 PolarHBondContact OH-O 2.9Å; L468-L497 HydrophobicContact CD2-CD1 3.15Å; I473-L497 HydrophobicContact CG2-CD2 4.32Å; R494-L497 HydrophobicContact CB-CD1 4.27Å; R494-L497 HydrophobicContact CG-CD1 4.24Å; L497-M499 PolarHBondContact O-N 2.94Å; L497-Y520 HydrophobicContact CB-CE2 4.25Å; L497-Y520 HydrophobicContact CD1-CE2 4.34Å
498	P	95.5	Very high	91	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	18%	0.175	C	C	.	.	P	Polyproline II helix	trans	-56.8	137.2	-173.1	-26.3	35.9	0	0	0	113.1	A133 L477 Y478 F508 F517 Y520	A133-P498 WeakPolarHBondContact O-CA 3.44Å; L477-P498 HydrophobicContact CB-CG 4Å; Y478-P498 VanDerWaalsContact O-CD 3.29Å; Y478-P498 WeakPolarHBondContact O-CD 3.34Å; Y478-P498 WeakPolarHBondContact O-CG 3.46Å; P498-F508 HydrophobicContact CB-CD1 4.46Å; P498-F508 HydrophobicContact CB-CD2 4Å; P498-F508 HydrophobicContact CB-CE1 4.29Å; P498-F508 HydrophobicContact CB-CE2 3.83Å; P498-F508 HydrophobicContact CB-CG 4.32Å; P498-F508 HydrophobicContact CB-CZ 3.98Å; P498-F508 HydrophobicContact CG-CZ 4.27Å; P498-F517 HydrophobicContact CB-CE2 3.75Å; P498-F517 HydrophobicContact CB-CZ 4.21Å; P498-Y520 HydrophobicContact CB-CE1 4.2Å; P498-Y520 PolarHBondContact O-OH 3.36Å
499	M	95.7	Very high	92.1	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	13%	0.134	C	C	.	.	P	Polyproline II helix	trans	-58.5	124.2	177.7	179.2	60.4	-171.7	0	0	110.8	A133 F134 Y154 Y459 E462 T463 L497 W501 F517 V530	A133-M499 PolarHBondContact O-N 3.45Å; F134-M499 HydrophobicContact CD2-CB 4.21Å; F134-M499 HydrophobicContact CD2-CG 4.16Å; F134-M499 HydrophobicContact CE2-CG 4.14Å; F134-M499 HydrophobicContact CE2-SD 4.43Å; Y154-M499 HydrophobicContact CE1-CE 4.37Å; Y459-M499 HydrophobicContact CD2-CB 4.03Å; Y459-M499 HydrophobicContact CD2-CG 4.41Å; Y459-M499 HydrophobicContact CD2-SD 3.8Å; Y459-M499 HydrophobicContact CE2-CB 4.2Å; E462-M499 WeakPolarHBondContact OE1-CE 3.31Å; T463-M499 HydrophobicContact CG2-CE 4.27Å; L497-M499 PolarHBondContact O-N 2.94Å; M499-W501 VanDerWaalsContact C-N 3.28Å; M499-W501 HydrophobicContact CB-CZ2 4.4Å; M499-W501 HydrophobicContact CE-CE3 4.4Å; M499-W501 HydrophobicContact CE-CH2 4.45Å; M499-W501 HydrophobicContact CE-CZ3 4.27Å; M499-W501 HydrophobicContact CG-CD2 3.78Å; M499-W501 HydrophobicContact CG-CE3 4.34Å; M499-W501 HydrophobicContact CG-CG 4.18Å; M499-W501 HydrophobicContact CG-CH2 4.23Å; M499-W501 HydrophobicContact CG-CZ2 3.65Å; M499-W501 PolarHBondContact O-N 3.19Å; M499-F517 WeakPolarHBondContact O-CZ 3.37Å; M499-V530 HydrophobicContact CE-CG2 3.47Å; M499-V530 VanDerWaalsContact CE-CG2 3.47Å
500	P	94.5	Very high	93.2	Very high	1 Å²	1	31 Å²	31	1%	0.006	15%	0.149	C	C	.	.			trans	-76.2	74.2	-177.9	33.7	-40.8	0	0	0	111.6	T463 I465 L521 N529 V530	T463-P500 HydrophobicContact CG2-CG 4.35Å; I465-P500 HydrophobicContact CD1-CG 4.08Å; I465-P500 HydrophobicContact CG2-CB 4.49Å; I465-P500 HydrophobicContact CG2-CG 4.03Å; P500-L521 HydrophobicContact CB-CD2 3.65Å; P500-N529 HydrophobicContact CB-CB 4.21Å; P500-N529 WeakPolarHBondContact O-CA 3.48Å; P500-N529 WeakPolarHBondContact O-CB 3.15Å; P500-V530 PolarHBondContact O-N 3.33Å
501	W	96.5	Very high	94.2	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.155	C	C	.	.			trans	-70	-49	-179.8	-67.5	111.6	0	0	0	113.4	F134 E151 Y154 M499 R507 V530 E531	F134-W501 HydrophobicContact CD1-CZ2 4.06Å; F134-W501 HydrophobicContact CD2-CZ2 4.02Å; F134-W501 AromaticContact CE1-CH2 3.94Å; F134-W501 HydrophobicContact CE1-CH2 3.94Å; F134-W501 AromaticContact CE1-CZ2 3.7Å; F134-W501 HydrophobicContact CE1-CZ2 3.7Å; F134-W501 AromaticContact CE2-CH2 3.84Å; F134-W501 HydrophobicContact CE2-CH2 3.84Å; F134-W501 AromaticContact CE2-CZ2 3.61Å; F134-W501 HydrophobicContact CE2-CZ2 3.61Å; F134-W501 HydrophobicContact CG-CZ2 4.23Å; F134-W501 AromaticContact CZ-CH2 3.43Å; F134-W501 HydrophobicContact CZ-CH2 3.43Å; F134-W501 VanDerWaalsContact CZ-CH2 3.43Å; F134-W501 AromaticContact CZ-CZ2 3.46Å; F134-W501 HydrophobicContact CZ-CZ2 3.46Å; F134-W501 VanDerWaalsContact CZ-CZ2 3.46Å; F134-W501 PolarHBondContact O-NE1 3.31Å; E151-W501 HydrophobicContact CB-CH2 4.27Å; E151-W501 HydrophobicContact CG-CH2 4Å; E151-W501 HydrophobicContact CG-CZ2 3.96Å; Y154-W501 AromaticContact CD1-CH2 3.53Å; Y154-W501 HydrophobicContact CD1-CH2 3.53Å; Y154-W501 AromaticContact CD1-CZ3 3.65Å; Y154-W501 HydrophobicContact CD1-CZ3 3.65Å; Y154-W501 AromaticContact CD2-CZ3 3.88Å; Y154-W501 HydrophobicContact CD2-CZ3 3.88Å; Y154-W501 AromaticContact CE1-CH2 3.72Å; Y154-W501 HydrophobicContact CE1-CH2 3.72Å; Y154-W501 AromaticContact CE1-CZ3 3.71Å; Y154-W501 HydrophobicContact CE1-CZ3 3.71Å; Y154-W501 AromaticContact CE2-CZ3 3.93Å; Y154-W501 HydrophobicContact CE2-CZ3 3.93Å; Y154-W501 AromaticContact CG-CH2 4Å; Y154-W501 HydrophobicContact CG-CH2 4Å; Y154-W501 AromaticContact CG-CZ3 3.74Å; Y154-W501 HydrophobicContact CG-CZ3 3.74Å; Y154-W501 AromaticContact CZ-CZ3 3.85Å; M499-W501 VanDerWaalsContact C-N 3.28Å; M499-W501 HydrophobicContact CB-CZ2 4.4Å; M499-W501 HydrophobicContact CE-CE3 4.4Å; M499-W501 HydrophobicContact CE-CH2 4.45Å; M499-W501 HydrophobicContact CE-CZ3 4.27Å; M499-W501 HydrophobicContact CG-CD2 3.78Å; M499-W501 HydrophobicContact CG-CE3 4.34Å; M499-W501 HydrophobicContact CG-CG 4.18Å; M499-W501 HydrophobicContact CG-CH2 4.23Å; M499-W501 HydrophobicContact CG-CZ2 3.65Å; M499-W501 PolarHBondContact O-N 3.19Å; W501-R507 HydrophobicContact CB-CB 3.66Å; W501-R507 HydrophobicContact CB-CG 3.74Å; W501-R507 HydrophobicContact CD2-CG 4.19Å; W501-R507 HydrophobicContact CG-CB 4.16Å; W501-R507 HydrophobicContact CG-CG 3.82Å; W501-V530 HydrophobicContact CE3-CB 4.17Å; W501-V530 HydrophobicContact CE3-CG1 4.25Å; W501-V530 HydrophobicContact CE3-CG2 3.94Å; W501-V530 HydrophobicContact CZ3-CG2 4.31Å; W501-V530 WeakPolarHBondContact O-CB 3.34Å; W501-V530 PolarHBondContact O-N 3.28Å; W501-E531 PolarHBondContact O-N 3.49Å
502	D	95.2	Very high	94.8	Very high	9 Å²	9	29.2 Å²	29.2	5%	0.048	15%	0.149	C	C	.	.			trans	-153.7	165.6	-178.1	70.9	71.9	0	0	0	109.7	S504 G505 R506 R507 F517 E531	D502-S504 VanDerWaalsContact C-N 3.34Å; D502-S504 PolarHBondContact O-N 2.85Å; D502-S504 VanDerWaalsContact OD1-CA 3.26Å; D502-S504 WeakPolarHBondContact OD1-CA 3.48Å; D502-S504 WeakPolarHBondContact OD1-CB 3.22Å; D502-S504 PolarHBondContact OD1-N 3.41Å; D502-S504 PolarHBondContact OD1-OG 3.03Å; D502-G505 PolarHBondContact O-N 3.06Å; D502-G505 PolarHBondContact OD1-N 3.44Å; D502-R506 PolarHBondContact OD1-N 3.48Å; D502-R507 WeakPolarHBondContact OD2-CA 3.44Å; D502-R507 WeakPolarHBondContact OD2-CB 3.43Å; D502-R507 PolarHBondContact OD2-N 3.29Å; D502-F517 WeakPolarHBondContact O-CE1 3.4Å; D502-E531 HydrophobicContact CB-CB 4.1Å
503	F	93.9	Very high	94.9	Very high	93 Å²	93	36.2 Å²	36.2	41%	0.408	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-26.4	-176	-168.4	-97.5	0	0	0	114	G505 G518 L521	F503-G505 VanDerWaalsContact C-N 3.34Å; F503-G518 WeakPolarHBondContact O-CA 3.31Å; F503-G518 PolarHBondContact O-N 3.16Å; F503-L521 HydrophobicContact CD2-CB 4.4Å; F503-L521 HydrophobicContact CD2-CD1 4.15Å; F503-L521 HydrophobicContact CE2-CB 4.4Å
504	S	94.8	Very high	95	Very high	38 Å²	38	40.4 Å²	40.4	27%	0.266	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-17.3	178.7	71.2	0	0	0	0	113.5	D502 R506	D502-S504 VanDerWaalsContact C-N 3.34Å; D502-S504 PolarHBondContact O-N 2.85Å; D502-S504 VanDerWaalsContact OD1-CA 3.26Å; D502-S504 WeakPolarHBondContact OD1-CA 3.48Å; D502-S504 WeakPolarHBondContact OD1-CB 3.22Å; D502-S504 PolarHBondContact OD1-N 3.41Å; D502-S504 PolarHBondContact OD1-OG 3.03Å; S504-R506 PolarHBondContact O-N 3.45Å; S504-R506 PolarHBondContact OG-N 3.35Å; S504-R506 PolarHBondContact OG-NE 2.87Å
505	G	95.7	Very high	95.1	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.224	C	C	.	.	S	Bend	trans	74.7	-1	-172.7	0	0	0	0	0	114.5	D502 F503 R507 F508 S509 L512 F517	D502-G505 PolarHBondContact O-N 3.06Å; D502-G505 PolarHBondContact OD1-N 3.44Å; F503-G505 VanDerWaalsContact C-N 3.34Å; G505-R507 VanDerWaalsContact C-N 3.28Å; G505-R507 PolarHBondContact O-N 2.88Å; G505-F508 WeakPolarHBondContact O-CA 3.2Å; G505-F508 WeakPolarHBondContact O-CB 3.09Å; G505-F508 PolarHBondContact O-N 2.89Å; G505-S509 PolarHBondContact O-N 2.93Å; G505-L512 WeakPolarHBondContact O-CD1 3.09Å; G505-F517 VanDerWaalsContact CA-CD1 3.4Å
506	R	97	Very high	95.1	Very high	162 Å²	162	43.1 Å²	43.1	61%	0.611	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-26.1	-174.1	-75.8	-173.8	-62.7	-142	1.4	114.2	D502 S504 S509 A510 L512	D502-R506 PolarHBondContact OD1-N 3.48Å; S504-R506 PolarHBondContact O-N 3.45Å; S504-R506 PolarHBondContact OG-N 3.35Å; S504-R506 PolarHBondContact OG-NE 2.87Å; R506-S509 WeakPolarHBondContact CA-O 3.4Å; R506-S509 CarbonylContact O-C 3.49Å; R506-S509 VanDerWaalsContact O-C 3.3Å; R506-A510 PolarHBondContact O-N 2.86Å; R506-L512 WeakPolarHBondContact CG-O 3.41Å
507	R	96.8	Very high	95.1	Very high	77 Å²	77	43 Å²	43	29%	0.291	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-25.2	171.5	-175.8	167.8	173.4	-165.3	0.7	112.7	K135 E151 W501 D502 G505	K135-R507 VanDerWaalsContact CE-O 3.31Å; K135-R507 WeakPolarHBondContact CE-O 3.44Å; E151-R507 IonicContact OE1-CZ 3.37Å; E151-R507 IonicContact OE1-NE 3.65Å; E151-R507 PolarHBondContact OE1-NE 3.46Å; E151-R507 IonicContact OE1-NH2 2.8Å; E151-R507 IonicContact OE2-CZ 3.93Å; E151-R507 IonicContact OE2-NE 3.89Å; E151-R507 IonicContact OE2-NH2 3.65Å; E151-R507 PolarHBondContact OE2-NH2 2.85Å; W501-R507 HydrophobicContact CB-CB 3.66Å; W501-R507 HydrophobicContact CB-CG 3.74Å; W501-R507 HydrophobicContact CD2-CG 4.19Å; W501-R507 HydrophobicContact CG-CB 4.16Å; W501-R507 HydrophobicContact CG-CG 3.82Å; D502-R507 WeakPolarHBondContact OD2-CA 3.44Å; D502-R507 WeakPolarHBondContact OD2-CB 3.43Å; D502-R507 PolarHBondContact OD2-N 3.29Å; G505-R507 VanDerWaalsContact C-N 3.28Å; G505-R507 PolarHBondContact O-N 2.88Å
508	F	97.5	Very high	95	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-52.6	168.1	173	-104.5	0	0	0	110.3	A133 D136 P498 G505 L512 F517	A133-F508 WeakPolarHBondContact O-CE2 3.38Å; D136-F508 WeakPolarHBondContact CB-O 3.2Å; D136-F508 PolarHBondContact N-O 3.2Å; P498-F508 HydrophobicContact CB-CD1 4.46Å; P498-F508 HydrophobicContact CB-CD2 4Å; P498-F508 HydrophobicContact CB-CE1 4.29Å; P498-F508 HydrophobicContact CB-CE2 3.83Å; P498-F508 HydrophobicContact CB-CG 4.32Å; P498-F508 HydrophobicContact CB-CZ 3.98Å; P498-F508 HydrophobicContact CG-CZ 4.27Å; G505-F508 WeakPolarHBondContact O-CA 3.2Å; G505-F508 WeakPolarHBondContact O-CB 3.09Å; G505-F508 PolarHBondContact O-N 2.89Å; F508-L512 HydrophobicContact CD1-CD1 3.95Å; F508-F517 HydrophobicContact CB-CD2 4.48Å; F508-F517 HydrophobicContact CB-CE2 3.7Å; F508-F517 HydrophobicContact CB-CZ 4Å; F508-F517 HydrophobicContact CD1-CD2 4.31Å; F508-F517 AromaticContact CD1-CE2 3.83Å; F508-F517 HydrophobicContact CD1-CE2 3.83Å; F508-F517 AromaticContact CG-CE2 3.78Å; F508-F517 HydrophobicContact CG-CE2 3.78Å; F508-F517 HydrophobicContact CG-CZ 4.4Å
509	S	97.9	Very high	94.7	Very high	1 Å²	1	47.1 Å²	47.1	1%	0.007	26%	0.256	C	S	.	.	B	Isolated β-bridge	trans	-144.5	127.8	175.1	-178.5	0	0	0	0	110.8	D136 G505 R506 T511 L512	D136-S509 VanDerWaalsContact OD2-CB 3.22Å; D136-S509 WeakPolarHBondContact OD2-CB 3.46Å; D136-S509 PolarHBondContact OD2-OG 3.2Å; G505-S509 PolarHBondContact O-N 2.93Å; R506-S509 WeakPolarHBondContact CA-O 3.4Å; R506-S509 CarbonylContact O-C 3.49Å; R506-S509 VanDerWaalsContact O-C 3.3Å; S509-T511 PolarHBondContact O-N 3.4Å; S509-T511 VanDerWaalsContact O-N 3.11Å; S509-T511 PolarHBondContact OG-OG1 3.28Å; S509-L512 PolarHBondContact O-N 3.12Å
510	A	97	Very high	94.5	Very high	91 Å²	91	47.4 Å²	47.4	75%	0.752	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-15.6	-178.9	0	0	0	0	0	113.7	R506	R506-A510 PolarHBondContact O-N 2.86Å
511	T	96.5	Very high	94.3	Very high	72 Å²	72	47.4 Å²	47.4	44%	0.442	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-12.4	179.6	58.1	0	0	0	0	113.4	G139 S509 N513	G139-T511 VanDerWaalsContact CA-CG2 3.43Å; G139-T511 WeakPolarHBondContact O-CG2 3.46Å; G139-T511 PolarHBondContact O-OG1 3.35Å; S509-T511 PolarHBondContact O-N 3.4Å; S509-T511 VanDerWaalsContact O-N 3.11Å; S509-T511 PolarHBondContact OG-OG1 3.28Å; T511-N513 PolarHBondContact O-N 3Å
512	L	95.5	Very high	94	Very high	10 Å²	10	50.3 Å²	50.3	5%	0.052	27%	0.273	C	S	.	.			trans	-69.4	119	176.2	-73.6	168.3	0	0	0	111.1	L141 L477 G505 R506 F508 S509 F517	L141-L512 HydrophobicContact CD1-CD2 4.42Å; L141-L512 HydrophobicContact CD2-CD1 4.15Å; L141-L512 HydrophobicContact CD2-CD2 3.69Å; L141-L512 HydrophobicContact CD2-CG 3.61Å; L477-L512 HydrophobicContact CD2-CD1 4.19Å; L477-L512 HydrophobicContact CD2-CD2 3.93Å; G505-L512 WeakPolarHBondContact O-CD1 3.09Å; R506-L512 WeakPolarHBondContact CG-O 3.41Å; F508-L512 HydrophobicContact CD1-CD1 3.95Å; S509-L512 PolarHBondContact O-N 3.12Å; L512-F517 HydrophobicContact CD1-CB 4.21Å; L512-F517 HydrophobicContact CD1-CD2 3.73Å; L512-F517 HydrophobicContact CD1-CG 4.29Å
513	N	92.8	Very high	93.6	Very high	147 Å²	147	50.1 Å²	50.1	79%	0.786	27%	0.273	S	S	*	.			trans	-136.6	8.1	-177.3	63.7	6.9	0	0	0	113.7	T511	T511-N513 PolarHBondContact O-N 3Å
514	D	92.5	Very high	93.2	Very high	88 Å²	88	46.3 Å²	46.3	47%	0.471	26%	0.256	S	S	.	.	S	Bend	trans	-118.6	-173.1	179	68	20.6	0	0	0	111.8	T516	D514-T516 VanDerWaalsContact C-N 3.29Å; D514-T516 PolarHBondContact O-N 3.11Å; D514-T516 WeakPolarHBondContact OD1-CB 3.41Å; D514-T516 PolarHBondContact OD1-N 3.07Å; D514-T516 PolarHBondContact OD1-OG1 3.4Å; D514-T516 PolarHBondContact OD2-OG1 3.46Å
515	S	92.3	Very high	92.6	Very high	74 Å²	74	49.7 Å²	49.7	52%	0.517	27%	0.271	S	S	.	.	S	Bend	trans	-80	-4.4	179.9	65.4	0	0	0	0	114.3	F517 G518 D519	S515-F517 VanDerWaalsContact C-N 3.28Å; S515-F517 PolarHBondContact O-N 2.95Å; S515-F517 VanDerWaalsContact O-N 3.14Å; S515-G518 CarbonylContact O-C 3.49Å; S515-G518 WeakPolarHBondContact O-CA 3.29Å; S515-G518 PolarHBondContact O-N 3.36Å; S515-D519 WeakPolarHBondContact CB-OD2 3.39Å; S515-D519 VanDerWaalsContact O-CG 3.31Å; S515-D519 PolarHBondContact O-N 2.64Å; S515-D519 PolarHBondContact OG-OD2 2.87Å
516	T	91.8	Very high	91.8	Very high	35 Å²	35	51.3 Å²	51.3	22%	0.215	28%	0.282	C	S	.	.	H	α-helix	trans	-54.3	-42.9	-167.5	-61	0	0	0	0	112.4	L477 D514 Y520	L477-T516 HydrophobicContact CD1-CG2 4.16Å; L477-T516 HydrophobicContact CD2-CG2 4.28Å; L477-T516 HydrophobicContact CG-CG2 3.96Å; D514-T516 VanDerWaalsContact C-N 3.29Å; D514-T516 PolarHBondContact O-N 3.11Å; D514-T516 WeakPolarHBondContact OD1-CB 3.41Å; D514-T516 PolarHBondContact OD1-N 3.07Å; D514-T516 PolarHBondContact OD1-OG1 3.4Å; D514-T516 PolarHBondContact OD2-OG1 3.46Å; T516-Y520 PolarHBondContact O-N 2.74Å; T516-Y520 VanDerWaalsContact O-N 3.08Å
517	F	93.4	Very high	91	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-72.7	-40	179.5	-157.8	-86.1	0	0	0	112.5	L477 P498 M499 D502 G505 F508 L512 S515 D519 Y520 L521	L477-F517 HydrophobicContact CD1-CD2 3.8Å; L477-F517 HydrophobicContact CD1-CE2 4.45Å; L477-F517 HydrophobicContact CD1-CG 4.48Å; L477-F517 HydrophobicContact CD2-CD2 4.31Å; P498-F517 HydrophobicContact CB-CE2 3.75Å; P498-F517 HydrophobicContact CB-CZ 4.21Å; M499-F517 WeakPolarHBondContact O-CZ 3.37Å; D502-F517 WeakPolarHBondContact O-CE1 3.4Å; G505-F517 VanDerWaalsContact CA-CD1 3.4Å; F508-F517 HydrophobicContact CB-CD2 4.48Å; F508-F517 HydrophobicContact CB-CE2 3.7Å; F508-F517 HydrophobicContact CB-CZ 4Å; F508-F517 HydrophobicContact CD1-CD2 4.31Å; F508-F517 AromaticContact CD1-CE2 3.83Å; F508-F517 HydrophobicContact CD1-CE2 3.83Å; F508-F517 AromaticContact CG-CE2 3.78Å; F508-F517 HydrophobicContact CG-CE2 3.78Å; F508-F517 HydrophobicContact CG-CZ 4.4Å; L512-F517 HydrophobicContact CD1-CB 4.21Å; L512-F517 HydrophobicContact CD1-CD2 3.73Å; L512-F517 HydrophobicContact CD1-CG 4.29Å; S515-F517 VanDerWaalsContact C-N 3.28Å; S515-F517 PolarHBondContact O-N 2.95Å; S515-F517 VanDerWaalsContact O-N 3.14Å; F517-D519 VanDerWaalsContact C-N 3.33Å; F517-D519 PolarHBondContact O-N 3.01Å; F517-Y520 HydrophobicContact CD1-CD1 4.34Å; F517-Y520 HydrophobicContact CD2-CD1 4.33Å; F517-Y520 HydrophobicContact CE1-CD1 4.23Å; F517-Y520 HydrophobicContact CE1-CE1 4.33Å; F517-Y520 HydrophobicContact CE2-CD1 4.23Å; F517-Y520 HydrophobicContact CE2-CE1 4.3Å; F517-Y520 HydrophobicContact CG-CD1 4.39Å; F517-Y520 HydrophobicContact CZ-CD1 4.17Å; F517-Y520 HydrophobicContact CZ-CE1 4.01Å; F517-Y520 WeakPolarHBondContact O-CB 3.43Å; F517-Y520 PolarHBondContact O-N 3.41Å; F517-L521 HydrophobicContact CD1-CD1 4.08Å; F517-L521 HydrophobicContact CD1-CG 4.05Å; F517-L521 HydrophobicContact CE1-CD1 3.93Å; F517-L521 HydrophobicContact CE1-CD2 4.12Å; F517-L521 HydrophobicContact CE1-CG 3.97Å; F517-L521 WeakPolarHBondContact O-CG 3.31Å; F517-L521 PolarHBondContact O-N 2.96Å
518	G	92.1	Very high	90.5	Very high	3 Å²	3	48.3 Å²	48.3	3%	0.031	28%	0.277	C	S	.	.	H	α-helix	trans	-63.7	-38.4	174.9	0	0	0	0	0	112.3	F503 S515 L521 N522	F503-G518 WeakPolarHBondContact O-CA 3.31Å; F503-G518 PolarHBondContact O-N 3.16Å; S515-G518 CarbonylContact O-C 3.49Å; S515-G518 WeakPolarHBondContact O-CA 3.29Å; S515-G518 PolarHBondContact O-N 3.36Å; G518-L521 PolarHBondContact O-N 2.96Å; G518-N522 WeakPolarHBondContact O-CB 3.29Å; G518-N522 VanDerWaalsContact O-CG 3.24Å; G518-N522 PolarHBondContact O-N 3.43Å; G518-N522 PolarHBondContact O-ND2 3.26Å; G518-N522 VanDerWaalsContact O-ND2 3.14Å
519	D	90.2	Very high	90.2	Very high	89 Å²	89	48.3 Å²	48.3	48%	0.476	28%	0.277	S	S	.	.	H	α-helix	trans	-66	-39.3	175.4	-66.9	-30.4	0	0	0	111.7	S515 F517 N522 G523	S515-D519 WeakPolarHBondContact CB-OD2 3.39Å; S515-D519 VanDerWaalsContact O-CG 3.31Å; S515-D519 PolarHBondContact O-N 2.64Å; S515-D519 PolarHBondContact OG-OD2 2.87Å; F517-D519 VanDerWaalsContact C-N 3.33Å; F517-D519 PolarHBondContact O-N 3.01Å; D519-N522 PolarHBondContact O-N 2.8Å; D519-G523 PolarHBondContact O-N 3.48Å
520	Y	90.6	Very high	90.1	Very high	5 Å²	5	48.3 Å²	48.3	2%	0.02	28%	0.276	C	S	.	.	H	α-helix	trans	-57.3	-49.9	168.8	154.8	-117.5	0	0	0	111.7	L468 P474 L477 L497 P498 T516 F517 N522 G523 Y524	L468-Y520 HydrophobicContact CD2-CE2 4.33Å; P474-Y520 HydrophobicContact CG-CD2 3.87Å; P474-Y520 HydrophobicContact CG-CE2 4.46Å; P474-Y520 HydrophobicContact CG-CG 4.21Å; L477-Y520 HydrophobicContact CD1-CD1 4.22Å; L477-Y520 HydrophobicContact CD1-CG 4.22Å; L497-Y520 HydrophobicContact CB-CE2 4.25Å; L497-Y520 HydrophobicContact CD1-CE2 4.34Å; P498-Y520 HydrophobicContact CB-CE1 4.2Å; P498-Y520 PolarHBondContact O-OH 3.36Å; T516-Y520 PolarHBondContact O-N 2.74Å; T516-Y520 VanDerWaalsContact O-N 3.08Å; F517-Y520 HydrophobicContact CD1-CD1 4.34Å; F517-Y520 HydrophobicContact CD2-CD1 4.33Å; F517-Y520 HydrophobicContact CE1-CD1 4.23Å; F517-Y520 HydrophobicContact CE1-CE1 4.33Å; F517-Y520 HydrophobicContact CE2-CD1 4.23Å; F517-Y520 HydrophobicContact CE2-CE1 4.3Å; F517-Y520 HydrophobicContact CG-CD1 4.39Å; F517-Y520 HydrophobicContact CZ-CD1 4.17Å; F517-Y520 HydrophobicContact CZ-CE1 4.01Å; F517-Y520 WeakPolarHBondContact O-CB 3.43Å; F517-Y520 PolarHBondContact O-N 3.41Å; Y520-N522 VanDerWaalsContact C-N 3.31Å; Y520-N522 PolarHBondContact O-N 3.46Å; Y520-G523 PolarHBondContact O-N 3.14Å; Y520-Y524 HydrophobicContact CD2-CE2 4.17Å; Y520-Y524 HydrophobicContact CE1-CE2 4.4Å; Y520-Y524 AromaticContact CE2-CE2 3.47Å; Y520-Y524 HydrophobicContact CE2-CE2 3.47Å; Y520-Y524 VanDerWaalsContact CE2-CE2 3.47Å; Y520-Y524 AromaticContact CE2-CZ 3.93Å; Y520-Y524 AromaticContact CZ-CE2 3.61Å; Y520-Y524 PolarHBondContact OH-OH 2.86Å
521	L	91	Very high	90.1	Very high	2 Å²	2	49.6 Å²	49.6	1%	0.01	27%	0.267	C	S	.	.	H	α-helix	trans	-66.5	-32.2	179.1	-65.8	-171.8	0	0	0	113.1	P500 F503 F517 G518 G523 Y524 N529	P500-L521 HydrophobicContact CB-CD2 3.65Å; F503-L521 HydrophobicContact CD2-CB 4.4Å; F503-L521 HydrophobicContact CD2-CD1 4.15Å; F503-L521 HydrophobicContact CE2-CB 4.4Å; F517-L521 HydrophobicContact CD1-CD1 4.08Å; F517-L521 HydrophobicContact CD1-CG 4.05Å; F517-L521 HydrophobicContact CE1-CD1 3.93Å; F517-L521 HydrophobicContact CE1-CD2 4.12Å; F517-L521 HydrophobicContact CE1-CG 3.97Å; F517-L521 WeakPolarHBondContact O-CG 3.31Å; F517-L521 PolarHBondContact O-N 2.96Å; G518-L521 PolarHBondContact O-N 2.96Å; L521-G523 PolarHBondContact O-N 3.04Å; L521-Y524 HydrophobicContact CD2-CD2 4.49Å; L521-Y524 HydrophobicContact CD2-CE2 4.38Å; L521-Y524 PolarHBondContact O-N 2.77Å; L521-N529 HydrophobicContact CD1-CB 4.41Å
522	N	89.8	Confident	89.9	Confident	60 Å²	60	49.6 Å²	49.6	32%	0.321	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-15.2	173.5	-77.9	-40.2	0	0	0	113.3	G518 D519 Y520 Y524 K527	G518-N522 WeakPolarHBondContact O-CB 3.29Å; G518-N522 VanDerWaalsContact O-CG 3.24Å; G518-N522 PolarHBondContact O-N 3.43Å; G518-N522 PolarHBondContact O-ND2 3.26Å; G518-N522 VanDerWaalsContact O-ND2 3.14Å; D519-N522 PolarHBondContact O-N 2.8Å; Y520-N522 VanDerWaalsContact C-N 3.31Å; Y520-N522 PolarHBondContact O-N 3.46Å; N522-Y524 VanDerWaalsContact C-N 3.35Å; N522-K527 WeakPolarHBondContact OD1-CD 3.47Å; N522-K527 VanDerWaalsContact OD1-CE 3.26Å; N522-K527 WeakPolarHBondContact OD1-CE 3.3Å; N522-K527 PolarHBondContact OD1-NZ 3.44Å
523	G	86.7	Confident	89.9	Confident	5 Å²	5	49.1 Å²	49.1	5%	0.052	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-21.1	175.4	0	0	0	0	0	114.7	K469 D519 Y520 L521	K469-G523 PolarHBondContact N-O 3.33Å; D519-G523 PolarHBondContact O-N 3.48Å; Y520-G523 PolarHBondContact O-N 3.14Å; L521-G523 PolarHBondContact O-N 3.04Å
524	Y	86.1	Confident	89.9	Confident	13 Å²	13	44.8 Å²	44.8	5%	0.051	24%	0.238	C	C	.	.	S	Bend	trans	-80.4	153.6	175.3	-68.9	-87.1	0	0	0	110.9	I465 N466 L468 Y520 L521 N522 S526	I465-Y524 HydrophobicContact CB-CD1 4.1Å; I465-Y524 HydrophobicContact CB-CE1 4.12Å; I465-Y524 HydrophobicContact CD1-CE1 4.15Å; N466-Y524 WeakPolarHBondContact O-CD1 3.49Å; L468-Y524 HydrophobicContact CB-CD1 3.87Å; L468-Y524 HydrophobicContact CB-CE1 3.64Å; L468-Y524 HydrophobicContact CB-CG 4.46Å; L468-Y524 HydrophobicContact CD1-CD1 4.38Å; L468-Y524 HydrophobicContact CD1-CD2 3.89Å; L468-Y524 HydrophobicContact CD1-CE1 4.36Å; L468-Y524 HydrophobicContact CD1-CE2 3.87Å; L468-Y524 HydrophobicContact CD1-CG 4.15Å; L468-Y524 HydrophobicContact CG-CE1 4.44Å; Y520-Y524 HydrophobicContact CD2-CE2 4.17Å; Y520-Y524 HydrophobicContact CE1-CE2 4.4Å; Y520-Y524 AromaticContact CE2-CE2 3.47Å; Y520-Y524 HydrophobicContact CE2-CE2 3.47Å; Y520-Y524 VanDerWaalsContact CE2-CE2 3.47Å; Y520-Y524 AromaticContact CE2-CZ 3.93Å; Y520-Y524 AromaticContact CZ-CE2 3.61Å; Y520-Y524 PolarHBondContact OH-OH 2.86Å; L521-Y524 HydrophobicContact CD2-CD2 4.49Å; L521-Y524 HydrophobicContact CD2-CE2 4.38Å; L521-Y524 PolarHBondContact O-N 2.77Å; N522-Y524 VanDerWaalsContact C-N 3.35Å; Y524-S526 WeakPolarHBondContact CB-O 3.38Å; Y524-S526 PolarHBondContact O-N 3.48Å
525	D	81.9	Confident	90	Very high	109 Å²	109	42.9 Å²	42.9	58%	0.583	23%	0.234	S	C	*	.	S	Bend	trans	-67.8	-29.1	175.3	-69.8	-29.6	0	0	0	111.7	N466	N466-D525 PolarHBondContact O-N 2.88Å
526	S	78.1	Confident	89.7	Confident	34 Å²	34	49 Å²	49	24%	0.238	26%	0.255	C	S	.	.	S	Bend	trans	-117.1	124.9	174.8	178.8	0	0	0	0	109.7	Y524 E528	Y524-S526 WeakPolarHBondContact CB-O 3.38Å; Y524-S526 PolarHBondContact O-N 3.48Å; S526-E528 PolarHBondContact O-N 2.78Å; S526-E528 WeakPolarHBondContact OG-CG 3.05Å
527	K	81.3	Confident	89.4	Confident	117 Å²	117	50.5 Å²	50.5	51%	0.509	28%	0.277	S	S	.	.			trans	-88	22.8	-176.6	-54.8	-175.6	-176.4	-164.4	0	113.3	N522	N522-K527 WeakPolarHBondContact OD1-CD 3.47Å; N522-K527 VanDerWaalsContact OD1-CE 3.26Å; N522-K527 WeakPolarHBondContact OD1-CE 3.3Å; N522-K527 PolarHBondContact OD1-NZ 3.44Å
528	E	84.8	Confident	89	Confident	60 Å²	60	52.9 Å²	52.9	28%	0.28	29%	0.289	S	S	.	.			trans	-71.7	143.5	-175.6	-67.5	-68.5	161.5	0	0	110.9	S526 Q533	S526-E528 PolarHBondContact O-N 2.78Å; S526-E528 WeakPolarHBondContact OG-CG 3.05Å; E528-Q533 WeakPolarHBondContact OE2-CG 3.33Å
529	N	92.9	Very high	88.6	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	31%	0.312	C	S	.	.			trans	-144.4	169.9	176.8	61.1	52.3	0	0	0	109.8	P500 L521 E531 I532 Q533	P500-N529 HydrophobicContact CB-CB 4.21Å; P500-N529 WeakPolarHBondContact O-CA 3.48Å; P500-N529 WeakPolarHBondContact O-CB 3.15Å; L521-N529 HydrophobicContact CD1-CB 4.41Å; N529-E531 VanDerWaalsContact C-N 3.33Å; N529-E531 PolarHBondContact O-N 2.58Å; N529-E531 PolarHBondContact OD1-N 2.7Å; N529-I532 VanDerWaalsContact ND2-CD1 3.35Å; N529-I532 WeakPolarHBondContact ND2-CD1 3.5Å; N529-I532 PolarHBondContact O-N 3.35Å; N529-I532 WeakPolarHBondContact OD1-CG1 3.21Å; N529-I532 PolarHBondContact OD1-N 3.04Å; N529-Q533 WeakPolarHBondContact O-CB 3.33Å; N529-Q533 WeakPolarHBondContact O-CG 3.37Å; N529-Q533 PolarHBondContact O-N 3.18Å; N529-Q533 VanDerWaalsContact O-N 3.12Å
530	V	96	Very high	88.5	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-60.7	-42.1	-175.3	175	0	0	0	0	112	Y154 T463 M499 P500 W501 Q533 L534 L543	Y154-V530 HydrophobicContact CD2-CG1 4.25Å; Y154-V530 HydrophobicContact CE2-CG1 3.62Å; Y154-V530 HydrophobicContact CE2-CG2 4.2Å; T463-V530 HydrophobicContact CG2-CG2 3.85Å; M499-V530 HydrophobicContact CE-CG2 3.47Å; M499-V530 VanDerWaalsContact CE-CG2 3.47Å; P500-V530 PolarHBondContact O-N 3.33Å; W501-V530 HydrophobicContact CE3-CB 4.17Å; W501-V530 HydrophobicContact CE3-CG1 4.25Å; W501-V530 HydrophobicContact CE3-CG2 3.94Å; W501-V530 HydrophobicContact CZ3-CG2 4.31Å; W501-V530 WeakPolarHBondContact O-CB 3.34Å; W501-V530 PolarHBondContact O-N 3.28Å; V530-Q533 PolarHBondContact O-N 3.3Å; V530-L534 HydrophobicContact CG1-CD1 3.63Å; V530-L534 HydrophobicContact CG1-CG 4.23Å; V530-L534 WeakPolarHBondContact O-CB 3.04Å; V530-L534 WeakPolarHBondContact O-CG 3.36Å; V530-L534 PolarHBondContact O-N 3.43Å; V530-L543 HydrophobicContact CG1-CD2 4.24Å
531	E	95.3	Very high	88.5	Confident	119 Å²	119	55.6 Å²	55.6	56%	0.556	31%	0.305	S	S	*	.	H	α-helix	trans	-59.9	-51.8	179.9	-176.7	179.1	-104	0	0	112.1	W501 D502 N529 Q533 L534 A535	W501-E531 PolarHBondContact O-N 3.49Å; D502-E531 HydrophobicContact CB-CB 4.1Å; N529-E531 VanDerWaalsContact C-N 3.33Å; N529-E531 PolarHBondContact O-N 2.58Å; N529-E531 PolarHBondContact OD1-N 2.7Å; E531-Q533 VanDerWaalsContact C-N 3.29Å; E531-Q533 PolarHBondContact O-N 2.51Å; E531-L534 PolarHBondContact O-N 3.08Å; E531-A535 PolarHBondContact O-N 3.41Å
532	I	93.6	Very high	88.6	Confident	71 Å²	71	56.8 Å²	56.8	36%	0.364	31%	0.312	S	S	.	.	H	α-helix	trans	-61.3	-39.5	179.7	-68.5	172.5	0	0	0	111.2	N529 A535 N538	N529-I532 VanDerWaalsContact ND2-CD1 3.35Å; N529-I532 WeakPolarHBondContact ND2-CD1 3.5Å; N529-I532 PolarHBondContact O-N 3.35Å; N529-I532 WeakPolarHBondContact OD1-CG1 3.21Å; N529-I532 PolarHBondContact OD1-N 3.04Å; I532-A535 WeakPolarHBondContact O-CB 3.26Å; I532-A535 PolarHBondContact O-N 2.73Å; I532-N538 PolarHBondContact O-ND2 2.92Å
533	Q	94	Very high	88.7	Confident	0 Å²	0	54 Å²	54	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-77.2	-21.5	-177.1	-70.5	-167.1	58.6	0	0	114.2	T463 E528 N529 V530 E531 S541 L543 H544	T463-Q533 VanDerWaalsContact CB-NE2 3.31Å; T463-Q533 PolarHBondContact O-NE2 3.17Å; E528-Q533 WeakPolarHBondContact OE2-CG 3.33Å; N529-Q533 WeakPolarHBondContact O-CB 3.33Å; N529-Q533 WeakPolarHBondContact O-CG 3.37Å; N529-Q533 PolarHBondContact O-N 3.18Å; N529-Q533 VanDerWaalsContact O-N 3.12Å; V530-Q533 PolarHBondContact O-N 3.3Å; E531-Q533 VanDerWaalsContact C-N 3.29Å; E531-Q533 PolarHBondContact O-N 2.51Å; Q533-S541 PolarHBondContact O-OG 2.81Å; Q533-L543 HydrophobicContact CB-CB 3.95Å; Q533-L543 HydrophobicContact CB-CD2 4.27Å; Q533-H544 PolarHBondContact O-CE1 3.25Å; Q533-H544 PolarHBondContact O-ND1 2.84Å
534	L	94.3	Very high	89.1	Confident	57 Å²	57	55.4 Å²	55.4	30%	0.298	30%	0.302	S	S	.	.	H	α-helix	trans	-94.6	-5.6	173.4	-67.3	-179.4	0	0	0	113.2	V158 V530 E531 L543	V158-L534 HydrophobicContact CG1-CD1 4.19Å; V158-L534 HydrophobicContact CG1-CD2 3.96Å; V158-L534 HydrophobicContact CG2-CD1 4.44Å; V530-L534 HydrophobicContact CG1-CD1 3.63Å; V530-L534 HydrophobicContact CG1-CG 4.23Å; V530-L534 WeakPolarHBondContact O-CB 3.04Å; V530-L534 WeakPolarHBondContact O-CG 3.36Å; V530-L534 PolarHBondContact O-N 3.43Å; E531-L534 PolarHBondContact O-N 3.08Å; L534-L543 HydrophobicContact CD1-CD2 4.19Å; L534-L543 HydrophobicContact CD2-CD2 3.53Å; L534-L543 HydrophobicContact CD2-CG 4.16Å; L534-L543 HydrophobicContact CG-CD2 3.62Å
535	A	93.5	Very high	89.4	Confident	48 Å²	48	55 Å²	55	40%	0.397	30%	0.3	S	S	.	.	S	Bend	trans	-57.1	142.4	177.3	0	0	0	0	0	111.5	E531 I532 G537 N538	E531-A535 PolarHBondContact O-N 3.41Å; I532-A535 WeakPolarHBondContact O-CB 3.26Å; I532-A535 PolarHBondContact O-N 2.73Å; A535-G537 PolarHBondContact O-N 2.97Å; A535-N538 PolarHBondContact O-N 2.7Å; A535-N538 VanDerWaalsContact O-N 3.11Å
536	E	87.3	Confident	90.1	Very high	203 Å²	203	49.8 Å²	49.8	95%	0.949	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	133.1	179.4	-168.3	173.7	-171.6	0	0	110.7
537	G	83.7	Confident	90.9	Very high	66 Å²	66	51.7 Å²	51.7	68%	0.68	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.8	-18.5	-176	0	0	0	0	0	115.3	A535 V539	A535-G537 PolarHBondContact O-N 2.97Å; G537-V539 PolarHBondContact O-N 2.76Å
538	N	86	Confident	91.6	Very high	49 Å²	49	50.1 Å²	50.1	26%	0.262	27%	0.27	S	S	.	.			trans	-83.6	54.1	178.4	-163.7	-1.8	0	0	0	113	I532 A535 Q540 S541 H544	I532-N538 PolarHBondContact O-ND2 2.92Å; A535-N538 PolarHBondContact O-N 2.7Å; A535-N538 VanDerWaalsContact O-N 3.11Å; N538-Q540 PolarHBondContact O-N 2.02Å; N538-S541 PolarHBondContact O-N 2.81Å; N538-S541 PolarHBondContact O-OG 2.86Å; N538-H544 PolarHBondContact O-CE1 3.25Å; N538-H544 PolarHBondContact O-ND1 3.17Å
539	V	84.4	Confident	92.2	Very high	84 Å²	84	47.3 Å²	47.3	51%	0.509	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-6.2	-174.2	-61.6	0	0	0	0	114.6	G537	G537-V539 PolarHBondContact O-N 2.76Å
540	Q	86.3	Confident	92.4	Very high	63 Å²	63	47.6 Å²	47.6	29%	0.294	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.2	10.7	179.3	-63.2	-58.9	-46.2	0	0	112.9	N538 Y618	N538-Q540 PolarHBondContact O-N 2.02Å; Q540-Y618 WeakPolarHBondContact O-CE2 3.44Å
541	S	91.6	Very high	92.4	Very high	8 Å²	8	50.8 Å²	50.8	6%	0.056	28%	0.284	C	S	.	.	S	Bend	trans	-68.1	158.3	176.9	68	0	0	0	0	112.7	Q533 N538 L543 H544 L545	Q533-S541 PolarHBondContact O-OG 2.81Å; N538-S541 PolarHBondContact O-N 2.81Å; N538-S541 PolarHBondContact O-OG 2.86Å; S541-L543 PolarHBondContact O-N 3.39Å; S541-H544 PolarHBondContact O-N 2.79Å; S541-H544 VanDerWaalsContact O-N 3.09Å; S541-H544 PolarHBondContact OG-N 2.8Å; S541-H544 PolarHBondContact OG-ND1 3.02Å; S541-L545 PolarHBondContact O-N 2.84Å
542	N	91.9	Very high	92.5	Very high	27 Å²	27	46 Å²	46	14%	0.144	26%	0.262	C	S	.	.	H	α-helix	trans	-55.1	-41.4	175.1	-65.4	-35.9	0	0	0	111.2	M442 E462 T463 H544 L545 V546 Y618	M442-N542 HydrophobicContact CE-CB 3.81Å; M442-N542 WeakPolarHBondContact CG-OD1 3.41Å; M442-N542 HydrophobicContact SD-CB 3.97Å; E462-N542 CarbonylContact O-C 3.52Å; T463-N542 PolarHBondContact O-ND2 2.93Å; N542-H544 PolarHBondContact O-N 3.35Å; N542-L545 WeakPolarHBondContact O-CB 3.12Å; N542-L545 PolarHBondContact O-N 3.19Å; N542-V546 WeakPolarHBondContact O-CG2 3.32Å; N542-V546 PolarHBondContact O-N 3.32Å; N542-Y618 PolarHBondContact OD1-OH 2.86Å
543	L	94	Very high	92.6	Very high	0 Å²	0	43 Å²	43	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-65.6	-36.4	178.8	-170.8	57	0	0	0	112.4	V158 E462 V530 Q533 L534 S541 V546 K547	V158-L543 HydrophobicContact CG1-CD1 4.03Å; V158-L543 HydrophobicContact CG1-CD2 3.94Å; V158-L543 HydrophobicContact CG1-CG 4.08Å; E462-L543 HydrophobicContact CB-CD1 4.02Å; E462-L543 HydrophobicContact CG-CD1 3.7Å; E462-L543 PolarHBondContact O-N 3.07Å; V530-L543 HydrophobicContact CG1-CD2 4.24Å; Q533-L543 HydrophobicContact CB-CB 3.95Å; Q533-L543 HydrophobicContact CB-CD2 4.27Å; L534-L543 HydrophobicContact CD1-CD2 4.19Å; L534-L543 HydrophobicContact CD2-CD2 3.53Å; L534-L543 HydrophobicContact CD2-CG 4.16Å; L534-L543 HydrophobicContact CG-CD2 3.62Å; S541-L543 PolarHBondContact O-N 3.39Å; L543-V546 PolarHBondContact O-N 3.25Å; L543-K547 VanDerWaalsContact O-CG 3.32Å; L543-K547 WeakPolarHBondContact O-CG 3.18Å; L543-K547 PolarHBondContact O-N 3.24Å
544	H	93.1	Very high	92.6	Very high	36 Å²	36	46.8 Å²	46.8	17%	0.167	26%	0.264	C	S	.	.	H	α-helix	trans	-68.4	-37.1	172.5	-79.9	100.2	0	0	0	112.5	Q533 N538 S541 N542 K547 K548	Q533-H544 PolarHBondContact O-CE1 3.25Å; Q533-H544 PolarHBondContact O-ND1 2.84Å; N538-H544 PolarHBondContact O-CE1 3.25Å; N538-H544 PolarHBondContact O-ND1 3.17Å; S541-H544 PolarHBondContact O-N 2.79Å; S541-H544 VanDerWaalsContact O-N 3.09Å; S541-H544 PolarHBondContact OG-N 2.8Å; S541-H544 PolarHBondContact OG-ND1 3.02Å; N542-H544 PolarHBondContact O-N 3.35Å; H544-K547 PolarHBondContact O-N 3.46Å; H544-K548 WeakPolarHBondContact O-CG 3.13Å; H544-K548 PolarHBondContact O-N 3.02Å
545	L	94.1	Very high	92.7	Very high	4 Å²	4	46 Å²	46	2%	0.021	26%	0.26	C	S	.	.	H	α-helix	trans	-59.8	-49.5	170.5	169.9	64.5	0	0	0	110.8	M442 S541 N542 K547 K548 L549 I616 Y618 I646	M442-L545 HydrophobicContact CE-CD2 3.75Å; S541-L545 PolarHBondContact O-N 2.84Å; N542-L545 WeakPolarHBondContact O-CB 3.12Å; N542-L545 PolarHBondContact O-N 3.19Å; L545-K547 VanDerWaalsContact C-N 3.33Å; L545-K547 PolarHBondContact O-N 3.24Å; L545-K548 WeakPolarHBondContact O-CB 3.33Å; L545-K548 PolarHBondContact O-N 3.2Å; L545-K548 VanDerWaalsContact O-N 3.11Å; L545-L549 HydrophobicContact CD1-CD1 3.75Å; L545-L549 HydrophobicContact CD1-CG 3.9Å; L545-L549 HydrophobicContact CD2-CD1 4.28Å; L545-L549 HydrophobicContact CG-CD1 3.66Å; L545-L549 HydrophobicContact CG-CG 4.28Å; L545-L549 WeakPolarHBondContact O-CG 3.39Å; L545-L549 PolarHBondContact O-N 2.82Å; L545-I616 HydrophobicContact CD1-CG2 3.92Å; L545-Y618 HydrophobicContact CB-CD2 3.8Å; L545-Y618 HydrophobicContact CB-CE2 3.76Å; L545-Y618 HydrophobicContact CB-CG 4.38Å; L545-Y618 HydrophobicContact CD1-CD2 4.06Å; L545-Y618 HydrophobicContact CD1-CG 3.92Å; L545-Y618 HydrophobicContact CD2-CD1 3.6Å; L545-Y618 HydrophobicContact CD2-CD2 3.94Å; L545-Y618 HydrophobicContact CD2-CE1 3.65Å; L545-Y618 HydrophobicContact CD2-CE2 4Å; L545-Y618 HydrophobicContact CD2-CG 3.72Å; L545-Y618 HydrophobicContact CG-CD2 4.13Å; L545-Y618 HydrophobicContact CG-CE2 4.36Å; L545-Y618 HydrophobicContact CG-CG 4.2Å; L545-I646 HydrophobicContact CD2-CD1 3.72Å
546	V	95.5	Very high	92.8	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-57.7	-45.7	178.2	171.8	0	0	0	0	110.8	M442 L445 I457 E462 N542 L543 K548 L549 V550	M442-V546 HydrophobicContact CE-CG2 4.24Å; L445-V546 HydrophobicContact CD2-CG2 3.77Å; I457-V546 HydrophobicContact CD1-CG1 3.75Å; E462-V546 HydrophobicContact CB-CB 4.43Å; E462-V546 HydrophobicContact CB-CG1 4.16Å; E462-V546 HydrophobicContact CB-CG2 4.11Å; N542-V546 WeakPolarHBondContact O-CG2 3.32Å; N542-V546 PolarHBondContact O-N 3.32Å; L543-V546 PolarHBondContact O-N 3.25Å; V546-K548 VanDerWaalsContact C-N 3.33Å; V546-K548 PolarHBondContact O-N 3.48Å; V546-L549 PolarHBondContact O-N 2.66Å; V546-V550 HydrophobicContact CG1-CG2 4.09Å; V546-V550 WeakPolarHBondContact O-CB 3.21Å; V546-V550 VanDerWaalsContact O-CG2 3.28Å; V546-V550 WeakPolarHBondContact O-CG2 3.38Å; V546-V550 PolarHBondContact O-N 3.18Å
547	K	95.6	Very high	93.1	Very high	73 Å²	73	37 Å²	37	32%	0.317	21%	0.21	S	C	.	.	H	α-helix	trans	-53.8	-47	174	-77.4	168.9	73.2	178.4	0	112.5	V158 L543 H544 L545 A551	V158-K547 HydrophobicContact CG1-CD 4.29Å; V158-K547 WeakPolarHBondContact O-CG 2.99Å; L543-K547 VanDerWaalsContact O-CG 3.32Å; L543-K547 WeakPolarHBondContact O-CG 3.18Å; L543-K547 PolarHBondContact O-N 3.24Å; H544-K547 PolarHBondContact O-N 3.46Å; L545-K547 VanDerWaalsContact C-N 3.33Å; L545-K547 PolarHBondContact O-N 3.24Å; K547-A551 VanDerWaalsContact O-CB 3.31Å; K547-A551 WeakPolarHBondContact O-CB 2.91Å; K547-A551 PolarHBondContact O-N 3.42Å
548	K	95.2	Very high	93.7	Very high	84 Å²	84	34 Å²	34	37%	0.365	18%	0.178	S	C	.	.	H	α-helix	trans	-64.8	-43.4	178.4	-72.5	178.3	-179.7	-179.3	0	111.9	H544 L545 V546 A551 L552 I616	H544-K548 WeakPolarHBondContact O-CG 3.13Å; H544-K548 PolarHBondContact O-N 3.02Å; L545-K548 WeakPolarHBondContact O-CB 3.33Å; L545-K548 PolarHBondContact O-N 3.2Å; L545-K548 VanDerWaalsContact O-N 3.11Å; V546-K548 VanDerWaalsContact C-N 3.33Å; V546-K548 PolarHBondContact O-N 3.48Å; K548-A551 PolarHBondContact O-N 3.09Å; K548-L552 VanDerWaalsContact O-CB 3.29Å; K548-L552 WeakPolarHBondContact O-CB 2.8Å; K548-L552 PolarHBondContact O-N 2.88Å; K548-I616 HydrophobicContact CB-CD1 4.43Å
549	L	97.2	Very high	94.1	Very high	2 Å²	2	33.5 Å²	33.5	1%	0.01	17%	0.174	C	C	.	.	H	α-helix	trans	-64.4	-44.9	178.4	-70.9	164.7	0	0	0	111.9	A446 L449 L450 L545 V546 L552 R553 I616	A446-L549 HydrophobicContact CB-CD1 3.78Å; A446-L549 HydrophobicContact CB-CD2 4.3Å; L449-L549 HydrophobicContact CB-CB 4.13Å; L449-L549 HydrophobicContact CD1-CB 3.69Å; L449-L549 HydrophobicContact CD1-CD1 3.94Å; L449-L549 HydrophobicContact CD1-CG 4.45Å; L449-L549 HydrophobicContact CG-CB 4.46Å; L450-L549 HydrophobicContact CD1-CD2 3.81Å; L450-L549 HydrophobicContact CD2-CD2 3.88Å; L450-L549 HydrophobicContact CG-CD2 3.78Å; L545-L549 HydrophobicContact CD1-CD1 3.75Å; L545-L549 HydrophobicContact CD1-CG 3.9Å; L545-L549 HydrophobicContact CD2-CD1 4.28Å; L545-L549 HydrophobicContact CG-CD1 3.66Å; L545-L549 HydrophobicContact CG-CG 4.28Å; L545-L549 WeakPolarHBondContact O-CG 3.39Å; L545-L549 PolarHBondContact O-N 2.82Å; V546-L549 PolarHBondContact O-N 2.66Å; L549-L552 PolarHBondContact O-N 3.45Å; L549-R553 WeakPolarHBondContact O-CB 3.33Å; L549-R553 PolarHBondContact O-N 3.09Å; L549-I616 HydrophobicContact CD2-CD1 3.44Å; L549-I616 VanDerWaalsContact CD2-CD1 3.44Å; L549-I616 HydrophobicContact CG-CD1 3.94Å
550	V	97.5	Very high	94.5	Very high	6 Å²	6	32.5 Å²	32.5	4%	0.036	16%	0.161	C	C	.	.	H	α-helix	trans	-66.3	-39.1	178.5	174.3	0	0	0	0	111.3	V125 V159 L449 I457 V546 R553	V125-V550 HydrophobicContact CG2-CG1 3.92Å; V125-V550 HydrophobicContact CG2-CG2 4.21Å; V159-V550 WeakPolarHBondContact O-CG2 3.43Å; L449-V550 HydrophobicContact CD1-CG2 4.28Å; L449-V550 HydrophobicContact CD2-CG2 3.86Å; I457-V550 HydrophobicContact CD1-CG2 4.14Å; V546-V550 HydrophobicContact CG1-CG2 4.09Å; V546-V550 WeakPolarHBondContact O-CB 3.21Å; V546-V550 VanDerWaalsContact O-CG2 3.28Å; V546-V550 WeakPolarHBondContact O-CG2 3.38Å; V546-V550 PolarHBondContact O-N 3.18Å; V550-R553 WeakPolarHBondContact O-CB 3.19Å; V550-R553 PolarHBondContact O-N 3Å
551	A	96.6	Very high	94.8	Very high	66 Å²	66	29.6 Å²	29.6	55%	0.545	15%	0.148	S	C	.	.	H	α-helix	trans	-63.4	-45.9	172.6	0	0	0	0	0	111.6	K547 K548 R553 Q554	K547-A551 VanDerWaalsContact O-CB 3.31Å; K547-A551 WeakPolarHBondContact O-CB 2.91Å; K547-A551 PolarHBondContact O-N 3.42Å; K548-A551 PolarHBondContact O-N 3.09Å; A551-R553 VanDerWaalsContact C-N 3.25Å; A551-R553 PolarHBondContact O-N 3.32Å; A551-Q554 WeakPolarHBondContact O-CB 3.33Å; A551-Q554 PolarHBondContact O-N 3.06Å; A551-Q554 VanDerWaalsContact O-N 3.1Å
552	L	96.9	Very high	94.9	Very high	18 Å²	18	31.7 Å²	31.7	9%	0.094	17%	0.166	C	C	.	.	H	α-helix	trans	-61.7	-34.3	176.4	-179.3	60.2	0	0	0	112	L450 K548 L549 Q554 D555 M558 F589 I616 V648	L450-L552 HydrophobicContact CD2-CD2 4.1Å; K548-L552 VanDerWaalsContact O-CB 3.29Å; K548-L552 WeakPolarHBondContact O-CB 2.8Å; K548-L552 PolarHBondContact O-N 2.88Å; L549-L552 PolarHBondContact O-N 3.45Å; L552-Q554 PolarHBondContact O-N 2.78Å; L552-Q554 VanDerWaalsContact O-N 3.08Å; L552-D555 VanDerWaalsContact O-CB 3.29Å; L552-D555 WeakPolarHBondContact O-CB 3.22Å; L552-D555 PolarHBondContact O-N 3.27Å; L552-M558 HydrophobicContact CD1-CG 4.37Å; L552-M558 HydrophobicContact CD2-CE 3.87Å; L552-M558 HydrophobicContact CG-CE 4.18Å; L552-M558 HydrophobicContact CG-CG 4.1Å; L552-F589 HydrophobicContact CD1-CD1 4.24Å; L552-F589 HydrophobicContact CD1-CE1 3.72Å; L552-F589 HydrophobicContact CD1-CZ 4.24Å; L552-I616 HydrophobicContact CB-CD1 4.42Å; L552-I616 HydrophobicContact CD2-CD1 3.55Å; L552-I616 HydrophobicContact CD2-CG1 4.09Å; L552-V648 HydrophobicContact CD2-CB 4.31Å; L552-V648 HydrophobicContact CD2-CG1 3.79Å
553	R	96.2	Very high	95	Very high	10 Å²	10	31.4 Å²	31.4	4%	0.038	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-14.3	176.7	-164.3	48.9	155.8	88.3	-15.1	113.8	L449 L451 G453 P455 L549 V550 A551 D555 M558 K559	L449-R553 WeakPolarHBondContact O-CD 3.5Å; L449-R553 PolarHBondContact O-NE 3.29Å; L451-R553 PolarHBondContact O-NH2 3.32Å; G453-R553 PolarHBondContact O-NH2 3.01Å; P455-R553 HydrophobicContact CG-CG 4.45Å; L549-R553 WeakPolarHBondContact O-CB 3.33Å; L549-R553 PolarHBondContact O-N 3.09Å; V550-R553 WeakPolarHBondContact O-CB 3.19Å; V550-R553 PolarHBondContact O-N 3Å; A551-R553 VanDerWaalsContact C-N 3.25Å; A551-R553 PolarHBondContact O-N 3.32Å; R553-D555 VanDerWaalsContact C-N 3.29Å; R553-M558 WeakPolarHBondContact CD-O 3.38Å; R553-M558 PolarHBondContact NE-O 3.39Å; R553-M558 PolarHBondContact NH1-O 2.85Å; R553-K559 VanDerWaalsContact NH1-CA 3.29Å; R553-K559 PolarHBondContact NH1-O 2.84Å
554	Q	94.5	Very high	95	Very high	79 Å²	79	36.1 Å²	36.1	37%	0.369	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-16.1	173.4	-62.5	-54.6	-39.6	0	0	113.8	A551 L552 K559	A551-Q554 WeakPolarHBondContact O-CB 3.33Å; A551-Q554 PolarHBondContact O-N 3.06Å; A551-Q554 VanDerWaalsContact O-N 3.1Å; L552-Q554 PolarHBondContact O-N 2.78Å; L552-Q554 VanDerWaalsContact O-N 3.08Å; Q554-K559 WeakPolarHBondContact O-CE 3.46Å; Q554-K559 PolarHBondContact O-NZ 3.35Å
555	D	95.6	Very high	95	Very high	40 Å²	40	40 Å²	40	21%	0.214	20%	0.199	C	C	.	.	S	Bend	trans	-63.6	147.9	172.8	-178.4	-93.5	0	0	0	112.1	L552 R553 S557 M558 K559 F589	L552-D555 VanDerWaalsContact O-CB 3.29Å; L552-D555 WeakPolarHBondContact O-CB 3.22Å; L552-D555 PolarHBondContact O-N 3.27Å; R553-D555 VanDerWaalsContact C-N 3.29Å; D555-S557 PolarHBondContact O-N 3.24Å; D555-S557 WeakPolarHBondContact OD1-CB 3.49Å; D555-S557 PolarHBondContact OD1-N 3.06Å; D555-M558 HydrophobicContact CB-CB 4.34Å; D555-M558 HydrophobicContact CB-CG 4.38Å; D555-M558 PolarHBondContact O-N 3.1Å; D555-K559 WeakPolarHBondContact O-CB 3.27Å; D555-K559 PolarHBondContact O-N 3.06Å; D555-F589 HydrophobicContact CB-CE2 4.37Å; D555-F589 HydrophobicContact CB-CZ 4.29Å; D555-F589 WeakPolarHBondContact OD1-CE2 3.25Å
556	H	94.7	Very high	94.8	Very high	63 Å²	63	40.6 Å²	40.6	29%	0.292	20%	0.202	S	C	.	.	H	α-helix	trans	-60	-45.6	-175.9	-61.9	76.5	0	0	0	112.6	K559 W560 F586	H556-K559 PolarHBondContact O-N 2.88Å; H556-W560 HydrophobicContact CB-CH2 3.63Å; H556-W560 HydrophobicContact CB-CZ2 3.5Å; H556-W560 VanDerWaalsContact CB-CZ2 3.5Å; H556-W560 HydrophobicContact CB-CZ3 4.34Å; H556-W560 AromaticContact CD2-CH2 3.04Å; H556-W560 WeakPolarHBondContact CD2-CH2 3.35Å; H556-W560 AromaticContact CD2-CZ2 3.35Å; H556-W560 WeakPolarHBondContact CD2-CZ2 3.36Å; H556-W560 AromaticContact CG-CH2 3.54Å; H556-W560 AromaticContact CG-CZ2 3.77Å; H556-W560 VanDerWaalsContact O-CD2 3.31Å; H556-W560 PolarHBondContact O-N 3.12Å; H556-F586 HydrophobicContact CB-CB 3.95Å; H556-F586 HydrophobicContact CB-CD1 3.46Å; H556-F586 VanDerWaalsContact CB-CD1 3.46Å; H556-F586 HydrophobicContact CB-CD2 3.81Å; H556-F586 HydrophobicContact CB-CE1 3.86Å; H556-F586 HydrophobicContact CB-CE2 4.17Å; H556-F586 HydrophobicContact CB-CG 3.44Å; H556-F586 VanDerWaalsContact CB-CG 3.44Å; H556-F586 HydrophobicContact CB-CZ 4.19Å; H556-F586 AromaticContact CD2-CD1 3.64Å; H556-F586 AromaticContact CD2-CE1 3.07Å; H556-F586 WeakPolarHBondContact CD2-CE1 3.46Å; H556-F586 AromaticContact CD2-CZ 3.3Å; H556-F586 WeakPolarHBondContact CD2-CZ 3.43Å; H556-F586 AromaticContact CE1-CE1 3.85Å; H556-F586 AromaticContact CG-CD1 3.34Å; H556-F586 AromaticContact CG-CE1 3.33Å; H556-F586 AromaticContact CG-CG 3.88Å; H556-F586 AromaticContact CG-CZ 3.85Å; H556-F586 AromaticContact ND1-CD1 3.69Å; H556-F586 AromaticContact ND1-CE1 3.75Å; H556-F586 AromaticContact NE2-CE1 3.52Å; H556-F586 AromaticContact NE2-CZ 4Å
557	S	95.5	Very high	94.4	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-70.5	-34	179.7	-73.7	0	0	0	0	112.2	D555 G561 R581 A583 S587	D555-S557 PolarHBondContact O-N 3.24Å; D555-S557 WeakPolarHBondContact OD1-CB 3.49Å; D555-S557 PolarHBondContact OD1-N 3.06Å; S557-G561 WeakPolarHBondContact O-CA 3.36Å; S557-G561 PolarHBondContact O-N 3.36Å; S557-R581 PolarHBondContact O-NH2 3.36Å; S557-R581 VanDerWaalsContact O-NH2 3.16Å; S557-A583 PolarHBondContact OG-N 2.88Å; S557-S587 WeakPolarHBondContact CB-O 3.22Å; S557-S587 PolarHBondContact OG-O 3.2Å
558	M	95.8	Very high	93.7	Very high	1 Å²	1	42.7 Å²	42.7	1%	0.005	22%	0.219	C	C	.	.	H	α-helix	trans	-73.7	-33.7	173.6	-67.9	-60.8	-167.4	0	0	112.2	L450 L552 R553 D555 R581 F589 V591 V648	L450-M558 HydrophobicContact CD2-CE 3.96Å; L450-M558 HydrophobicContact CD2-SD 4.38Å; L552-M558 HydrophobicContact CD1-CG 4.37Å; L552-M558 HydrophobicContact CD2-CE 3.87Å; L552-M558 HydrophobicContact CG-CE 4.18Å; L552-M558 HydrophobicContact CG-CG 4.1Å; R553-M558 WeakPolarHBondContact CD-O 3.38Å; R553-M558 PolarHBondContact NE-O 3.39Å; R553-M558 PolarHBondContact NH1-O 2.85Å; D555-M558 HydrophobicContact CB-CB 4.34Å; D555-M558 HydrophobicContact CB-CG 4.38Å; D555-M558 PolarHBondContact O-N 3.1Å; M558-R581 PolarHBondContact O-NH1 2.79Å; M558-R581 PolarHBondContact O-NH2 2.94Å; M558-R581 HydrophobicContact SD-CB 3.91Å; M558-R581 HydrophobicContact SD-CG 3.76Å; M558-F589 HydrophobicContact CE-CB 3.36Å; M558-F589 HydrophobicContact CE-CD1 3.84Å; M558-F589 HydrophobicContact CE-CD2 4.11Å; M558-F589 HydrophobicContact CE-CG 3.49Å; M558-F589 VanDerWaalsContact CE-CG 3.49Å; M558-F589 HydrophobicContact CG-CD2 4.32Å; M558-F589 HydrophobicContact SD-CB 4.46Å; M558-V591 HydrophobicContact CE-CG2 4.14Å; M558-V648 HydrophobicContact CE-CG1 3.76Å
559	K	94.1	Very high	92.6	Very high	39 Å²	39	40.6 Å²	40.6	17%	0.17	22%	0.221	C	C	.	.	H	α-helix	trans	-73.7	-45.5	-173.3	-164.9	173.5	-41.7	-169.8	0	113.6	L118 R553 Q554 D555 H556	L118-K559 HydrophobicContact CD1-CD 4.27Å; L118-K559 HydrophobicContact CD1-CG 4.16Å; R553-K559 VanDerWaalsContact NH1-CA 3.29Å; R553-K559 PolarHBondContact NH1-O 2.84Å; Q554-K559 WeakPolarHBondContact O-CE 3.46Å; Q554-K559 PolarHBondContact O-NZ 3.35Å; D555-K559 WeakPolarHBondContact O-CB 3.27Å; D555-K559 PolarHBondContact O-N 3.06Å; H556-K559 PolarHBondContact O-N 2.88Å
560	W	92	Very high	90.5	Very high	63 Å²	63	50.6 Å²	50.6	24%	0.239	27%	0.268	C	S	.	.	H	α-helix	trans	-140.6	5	-179.6	63.4	83.1	0	0	0	114.2	V115 P116 L118 H556 F586	V115-W560 HydrophobicContact CG1-CH2 3.7Å; V115-W560 HydrophobicContact CG1-CZ2 4.2Å; V115-W560 HydrophobicContact CG1-CZ3 4.46Å; P116-W560 HydrophobicContact CG-CD2 3.95Å; P116-W560 HydrophobicContact CG-CE3 4.47Å; P116-W560 HydrophobicContact CG-CG 4.07Å; P116-W560 HydrophobicContact CG-CZ2 4.38Å; L118-W560 HydrophobicContact CD1-CB 4.28Å; L118-W560 HydrophobicContact CD1-CD2 4.31Å; L118-W560 HydrophobicContact CD1-CE3 3.58Å; L118-W560 HydrophobicContact CD1-CZ3 4.23Å; H556-W560 HydrophobicContact CB-CH2 3.63Å; H556-W560 HydrophobicContact CB-CZ2 3.5Å; H556-W560 VanDerWaalsContact CB-CZ2 3.5Å; H556-W560 HydrophobicContact CB-CZ3 4.34Å; H556-W560 AromaticContact CD2-CH2 3.04Å; H556-W560 WeakPolarHBondContact CD2-CH2 3.35Å; H556-W560 AromaticContact CD2-CZ2 3.35Å; H556-W560 WeakPolarHBondContact CD2-CZ2 3.36Å; H556-W560 AromaticContact CG-CH2 3.54Å; H556-W560 AromaticContact CG-CZ2 3.77Å; H556-W560 VanDerWaalsContact O-CD2 3.31Å; H556-W560 PolarHBondContact O-N 3.12Å; W560-F586 HydrophobicContact CZ2-CE2 4.1Å; W560-F586 HydrophobicContact CZ2-CZ 4.36Å
561	G	93.6	Very high	88.3	Confident	3 Å²	3	58.8 Å²	58.8	3%	0.031	31%	0.306	C	S	.	.			trans	-65.8	147.2	179.4	0	0	0	0	0	112.2	S557 R581 K582	S557-G561 WeakPolarHBondContact O-CA 3.36Å; S557-G561 PolarHBondContact O-N 3.36Å; G561-R581 PolarHBondContact O-NE 3.41Å; G561-R581 VanDerWaalsContact O-NE 3.09Å; G561-R581 PolarHBondContact O-NH2 3.46Å; G561-K582 CarbonylContact C-O 3.37Å; G561-K582 WeakPolarHBondContact CA-O 3.33Å
562	A	93.5	Very high	86.3	Confident	51 Å²	51	57.7 Å²	57.7	42%	0.421	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	159.7	175.2	0	0	0	0	0	110.9	R581 K582	A562-R581 WeakPolarHBondContact O-CA 3.13Å; A562-K582 PolarHBondContact N-O 3.39Å; A562-K582 PolarHBondContact O-N 3.4Å
563	M	94.9	Very high	84.5	Confident	22 Å²	22	59 Å²	59	11%	0.108	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	134.6	176.1	174.8	-169.1	-177.3	0	0	110.2	I413 Y416 S417 L451 P452 R565 F579 M580	I413-M563 HydrophobicContact CG2-CE 3.81Å; Y416-M563 HydrophobicContact CD1-SD 4.4Å; S417-M563 WeakPolarHBondContact OG-CE 3.17Å; L451-M563 HydrophobicContact CD2-CE 3.51Å; L451-M563 HydrophobicContact CD2-SD 3.54Å; L451-M563 VanDerWaalsContact CD2-SD 3.54Å; P452-M563 HydrophobicContact CG-CB 3.52Å; M563-R565 HydrophobicContact CE-CG 4.11Å; M563-F579 HydrophobicContact CE-CB 3.66Å; M563-F579 HydrophobicContact CE-CD1 3.85Å; M563-F579 HydrophobicContact CE-CD2 4.13Å; M563-F579 HydrophobicContact CE-CG 3.62Å; M563-F579 HydrophobicContact CG-CB 4.02Å; M563-F579 HydrophobicContact CG-CD2 3.92Å; M563-F579 HydrophobicContact CG-CG 4.16Å; M563-M580 VanDerWaalsContact CA-O 3.32Å; M563-M580 WeakPolarHBondContact CA-O 3.4Å
564	E	93.5	Very high	83.2	Confident	98 Å²	98	62.9 Å²	62.9	46%	0.458	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	120.8	173	-177.3	-175.9	177.1	0	0	108.5	F579 M580 K582	E564-F579 CarbonylContact O-C 3.6Å; E564-F579 WeakPolarHBondContact O-CA 3.48Å; E564-F579 WeakPolarHBondContact O-CB 3.48Å; E564-M580 PolarHBondContact N-O 2.87Å; E564-M580 PolarHBondContact O-N 3.36Å; E564-K582 IonicContact OE2-NZ 3.27Å; E564-K582 PolarHBondContact OE2-NZ 3.36Å
565	R	92.5	Very high	82.5	Confident	118 Å²	118	61.1 Å²	61.1	45%	0.445	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	140.9	176	-77.1	-175.6	60.6	-171.6	1	110.4	I413 S417 M563	I413-R565 HydrophobicContact CG2-CG 4.36Å; S417-R565 WeakPolarHBondContact OG-CD 3.36Å; S417-R565 WeakPolarHBondContact OG-CG 3.45Å; M563-R565 HydrophobicContact CE-CG 4.11Å
566	I	91	Very high	82.1	Confident	16 Å²	16	60 Å²	60	8%	0.082	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	153.6	173.7	64.8	175.8	0	0	0	109.6	F568 A578 M580 I590 F608	I566-F568 HydrophobicContact CD1-CE2 4.36Å; I566-F568 HydrophobicContact CD1-CZ 4.1Å; I566-A578 HydrophobicContact CD1-CB 3.94Å; I566-A578 HydrophobicContact CG1-CB 3.48Å; I566-A578 VanDerWaalsContact CG1-CB 3.48Å; I566-A578 PolarHBondContact N-O 2.86Å; I566-M580 HydrophobicContact CD1-CG 4.27Å; I566-M580 HydrophobicContact CG2-CG 3.76Å; I566-M580 HydrophobicContact CG2-SD 4.07Å; I566-I590 HydrophobicContact CD1-CG2 3.73Å; I566-F608 HydrophobicContact CB-CD1 4.13Å; I566-F608 HydrophobicContact CB-CE1 3.72Å; I566-F608 HydrophobicContact CB-CZ 3.99Å; I566-F608 HydrophobicContact CD1-CD1 4.4Å; I566-F608 HydrophobicContact CD1-CD2 4.1Å; I566-F608 HydrophobicContact CD1-CE2 4.24Å; I566-F608 HydrophobicContact CD1-CG 4.19Å; I566-F608 HydrophobicContact CD1-CZ 4.46Å; I566-F608 HydrophobicContact CG2-CD1 3.8Å; I566-F608 HydrophobicContact CG2-CE1 3.81Å
567	S	85.4	Confident	81.8	Confident	59 Å²	59	57.6 Å²	57.6	41%	0.413	31%	0.308	S	S	.	.			trans	-131	142.8	178.5	169.7	0	0	0	0	109.4	G569 S572 F608	S567-G569 VanDerWaalsContact C-N 3.35Å; S567-G569 PolarHBondContact OG-N 3.26Å; S567-G569 PolarHBondContact OG-O 3.3Å; S567-S572 WeakPolarHBondContact OG-CB 3.35Å; S567-S572 PolarHBondContact OG-OG 2.97Å; S567-F608 WeakPolarHBondContact O-CZ 3.36Å
568	F	81.8	Confident	81.7	Confident	58 Å²	58	57.8 Å²	57.8	25%	0.254	31%	0.31	S	S	.	.	S	Bend	trans	-97.8	28.2	178.6	-67.2	-77.5	0	0	0	112.6	I566 I576 A578 I592 L603 L605 F608	I566-F568 HydrophobicContact CD1-CE2 4.36Å; I566-F568 HydrophobicContact CD1-CZ 4.1Å; F568-I576 HydrophobicContact CD2-CG2 3.93Å; F568-I576 HydrophobicContact CE2-CG2 4.41Å; F568-A578 HydrophobicContact CD2-CB 4.35Å; F568-A578 HydrophobicContact CE2-CB 3.64Å; F568-I592 HydrophobicContact CE2-CD1 3.96Å; F568-I592 HydrophobicContact CE2-CG1 4.32Å; F568-I592 HydrophobicContact CZ-CD1 3.73Å; F568-I592 HydrophobicContact CZ-CG1 4.44Å; F568-L603 HydrophobicContact CD2-CD2 4.42Å; F568-L605 HydrophobicContact CE1-CD2 3.58Å; F568-L605 HydrophobicContact CZ-CD2 3.5Å; F568-L605 VanDerWaalsContact CZ-CD2 3.5Å; F568-F608 AromaticContact CD1-CE2 3.94Å; F568-F608 HydrophobicContact CD1-CE2 3.94Å; F568-F608 HydrophobicContact CE1-CD2 4.07Å; F568-F608 AromaticContact CE1-CE2 3.51Å; F568-F608 HydrophobicContact CE1-CE2 3.51Å; F568-F608 HydrophobicContact CZ-CD2 4.5Å; F568-F608 HydrophobicContact CZ-CE2 4.11Å
569	G	71.7	Confident	81.7	Confident	41 Å²	41	57.8 Å²	57.8	42%	0.423	31%	0.309	S	S	.	.	S	Bend	trans	120.8	176.3	178.4	0	0	0	0	0	113.4	S567 E571 S572	S567-G569 VanDerWaalsContact C-N 3.35Å; S567-G569 PolarHBondContact OG-N 3.26Å; S567-G569 PolarHBondContact OG-O 3.3Å; G569-E571 PolarHBondContact O-N 3.08Å; G569-E571 VanDerWaalsContact O-N 3.12Å; G569-S572 PolarHBondContact O-N 3.14Å
570	E	53.7	Low	81.8	Confident	211 Å²	211	56.2 Å²	56.2	99%	0.986	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-21.7	-179.1	-69.1	-175.6	164.7	0	0	113
571	E	51	Low	82	Confident	179 Å²	179	53.2 Å²	53.2	84%	0.836	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.8	18.8	175	-64.2	-171.2	165.9	0	0	113.9	G569 S573	G569-E571 PolarHBondContact O-N 3.08Å; G569-E571 VanDerWaalsContact O-N 3.12Å; E571-S573 PolarHBondContact O-N 3.4Å
572	S	53.6	Low	82.1	Confident	43 Å²	43	56.5 Å²	56.5	30%	0.301	31%	0.305	S	S	.	.			trans	-68.4	78.8	167.8	81	0	0	0	0	109.1	S567 G569	S567-S572 WeakPolarHBondContact OG-CB 3.35Å; S567-S572 PolarHBondContact OG-OG 2.97Å; G569-S572 PolarHBondContact O-N 3.14Å
573	S	59.2	Low	82.1	Confident	44 Å²	44	54.5 Å²	54.5	31%	0.308	29%	0.289	S	S	.	.			trans	-67	175.4	-174.5	64.9	0	0	0	0	110.4	E571 Q575 I576	E571-S573 PolarHBondContact O-N 3.4Å; S573-Q575 PolarHBondContact O-N 3.05Å; S573-Q575 WeakPolarHBondContact OG-CB 3.29Å; S573-Q575 PolarHBondContact OG-N 3.02Å; S573-Q575 PolarHBondContact OG-OE1 2.92Å; S573-I576 PolarHBondContact O-N 3.29Å; S573-I576 VanDerWaalsContact O-N 3.15Å
574	S	68.8	Low	82	Confident	93 Å²	93	63.2 Å²	63.2	65%	0.65	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.8	-11.5	167.9	48.1	0	0	0	0	114.5
575	Q	80.4	Confident	81.8	Confident	42 Å²	42	61.2 Å²	61.2	20%	0.196	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-27	-179.7	-60.1	170.5	-61.1	0	0	114.2	S573 L594 K595 D596	S573-Q575 PolarHBondContact O-N 3.05Å; S573-Q575 WeakPolarHBondContact OG-CB 3.29Å; S573-Q575 PolarHBondContact OG-N 3.02Å; S573-Q575 PolarHBondContact OG-OE1 2.92Å; Q575-L594 CarbonylContact O-C 3.58Å; Q575-L594 VanDerWaalsContact O-CA 3.32Å; Q575-L594 WeakPolarHBondContact O-CA 3.5Å; Q575-K595 WeakPolarHBondContact CA-O 3.45Å; Q575-K595 VanDerWaalsContact CB-O 3.27Å; Q575-K595 WeakPolarHBondContact CB-O 3.41Å; Q575-K595 WeakPolarHBondContact CG-O 3.32Å; Q575-K595 PolarHBondContact O-N 3.29Å; Q575-D596 PolarHBondContact NE2-O 3.38Å
576	I	87	Confident	81.9	Confident	17 Å²	17	57.8 Å²	57.8	9%	0.087	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	111	-176.3	-52.3	-172.1	0	0	0	109.9	F568 S573 I592 L594 L603	F568-I576 HydrophobicContact CD2-CG2 3.93Å; F568-I576 HydrophobicContact CE2-CG2 4.41Å; S573-I576 PolarHBondContact O-N 3.29Å; S573-I576 VanDerWaalsContact O-N 3.15Å; I576-I592 HydrophobicContact CG2-CG2 4.15Å; I576-L594 HydrophobicContact CB-CD2 4.05Å; I576-L594 HydrophobicContact CD1-CD2 4.05Å; I576-L594 HydrophobicContact CG1-CD2 3.65Å; I576-L594 HydrophobicContact CG2-CD2 3.73Å; I576-L603 HydrophobicContact CD1-CD2 4.15Å
577	E	89.4	Confident	82	Confident	12 Å²	12	59.3 Å²	59.3	6%	0.056	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	125.9	174.4	-54.6	-172.9	91.1	0	0	110.1	T411 I413 I593 K595	T411-E577 WeakPolarHBondContact CB-OE1 3.3Å; T411-E577 PolarHBondContact OG1-OE1 2.64Å; I413-E577 WeakPolarHBondContact CB-OE1 3.38Å; I413-E577 HydrophobicContact CD1-CB 3.39Å; I413-E577 HydrophobicContact CD1-CG 4.21Å; E577-I593 PolarHBondContact N-O 2.83Å; E577-I593 PolarHBondContact O-N 2.99Å; E577-K595 WeakPolarHBondContact OE2-CE 3.32Å; E577-K595 IonicContact OE2-NZ 3.57Å; E577-K595 PolarHBondContact OE2-NZ 3.08Å
578	A	93.1	Very high	82.5	Confident	4 Å²	4	57.8 Å²	57.8	3%	0.033	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	148.9	-175.8	0	0	0	0	0	113.1	I566 F568 V591 I592	I566-A578 HydrophobicContact CD1-CB 3.94Å; I566-A578 HydrophobicContact CG1-CB 3.48Å; I566-A578 VanDerWaalsContact CG1-CB 3.48Å; I566-A578 PolarHBondContact N-O 2.86Å; F568-A578 HydrophobicContact CD2-CB 4.35Å; F568-A578 HydrophobicContact CE2-CB 3.64Å; A578-V591 CarbonylContact C-O 3.55Å; A578-V591 WeakPolarHBondContact CA-O 3.36Å; A578-V591 WeakPolarHBondContact CB-O 3.34Å; A578-I592 HydrophobicContact CB-CB 4.44Å; A578-I592 HydrophobicContact CB-CG1 4.07Å; A578-I592 HydrophobicContact CB-CG2 4.37Å
579	F	95	Very high	83.3	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	158.9	176.1	61.5	-88.6	0	0	0	111.2	I413 L447 L450 L451 M563 E564 R581 V591	I413-F579 HydrophobicContact CD1-CD1 4.38Å; I413-F579 HydrophobicContact CD1-CE1 4.33Å; L447-F579 HydrophobicContact CD2-CE1 3.7Å; L447-F579 HydrophobicContact CD2-CZ 4.19Å; L450-F579 HydrophobicContact CB-CZ 4.02Å; L451-F579 HydrophobicContact CD2-CD1 4.45Å; L451-F579 HydrophobicContact CD2-CE1 3.93Å; L451-F579 HydrophobicContact CD2-CE2 4.11Å; L451-F579 HydrophobicContact CD2-CZ 3.73Å; L451-F579 HydrophobicContact CG-CZ 4.22Å; M563-F579 HydrophobicContact CE-CB 3.66Å; M563-F579 HydrophobicContact CE-CD1 3.85Å; M563-F579 HydrophobicContact CE-CD2 4.13Å; M563-F579 HydrophobicContact CE-CG 3.62Å; M563-F579 HydrophobicContact CG-CB 4.02Å; M563-F579 HydrophobicContact CG-CD2 3.92Å; M563-F579 HydrophobicContact CG-CG 4.16Å; E564-F579 CarbonylContact O-C 3.6Å; E564-F579 WeakPolarHBondContact O-CA 3.48Å; E564-F579 WeakPolarHBondContact O-CB 3.48Å; F579-R581 HydrophobicContact CD2-CG 4.06Å; F579-R581 HydrophobicContact CE2-CG 3.78Å; F579-V591 HydrophobicContact CD1-CB 4.19Å; F579-V591 HydrophobicContact CD1-CG1 4.32Å; F579-V591 HydrophobicContact CD2-CB 4.13Å; F579-V591 HydrophobicContact CD2-CG2 4.34Å; F579-V591 HydrophobicContact CE1-CB 3.81Å; F579-V591 HydrophobicContact CE1-CG1 3.57Å; F579-V591 HydrophobicContact CE2-CB 3.74Å; F579-V591 HydrophobicContact CE2-CG1 4.19Å; F579-V591 HydrophobicContact CE2-CG2 3.71Å; F579-V591 HydrophobicContact CG-CB 4.35Å; F579-V591 HydrophobicContact CZ-CB 3.58Å; F579-V591 HydrophobicContact CZ-CG1 3.5Å; F579-V591 HydrophobicContact CZ-CG2 3.86Å; F579-V591 PolarHBondContact N-O 2.77Å; F579-V591 PolarHBondContact O-N 3.18Å
580	M	96.6	Very high	84.5	Confident	6 Å²	6	53.2 Å²	53.2	3%	0.03	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	145.3	170.9	-62.6	-175.4	81	0	0	111.1	M563 E564 I566 K582 F589 I590 F608	M563-M580 VanDerWaalsContact CA-O 3.32Å; M563-M580 WeakPolarHBondContact CA-O 3.4Å; E564-M580 PolarHBondContact N-O 2.87Å; E564-M580 PolarHBondContact O-N 3.36Å; I566-M580 HydrophobicContact CD1-CG 4.27Å; I566-M580 HydrophobicContact CG2-CG 3.76Å; I566-M580 HydrophobicContact CG2-SD 4.07Å; M580-K582 HydrophobicContact CB-CG 4.25Å; M580-K582 WeakPolarHBondContact SD-CE 3.4Å; M580-K582 PolarHBondContact SD-NZ 2.85Å; M580-K582 VanDerWaalsContact SD-NZ 3.41Å; M580-F589 CarbonylContact C-O 3.58Å; M580-F589 WeakPolarHBondContact CA-O 3.43Å; M580-I590 HydrophobicContact CE-CD1 4.46Å; M580-I590 HydrophobicContact CE-CG1 3.9Å; M580-I590 HydrophobicContact CG-CG1 4.01Å; M580-I590 HydrophobicContact SD-CG1 4.46Å; M580-F608 HydrophobicContact CE-CB 4.42Å; M580-F608 HydrophobicContact SD-CB 4.11Å
581	R	97.1	Very high	86.5	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	122.6	167.1	-64.7	-62.1	-55.9	-68.9	-0.3	109.2	L450 L451 S557 M558 G561 A562 F579 S588 F589	L450-R581 PolarHBondContact O-NH1 2.94Å; L451-R581 PolarHBondContact O-NH1 3.44Å; S557-R581 PolarHBondContact O-NH2 3.36Å; S557-R581 VanDerWaalsContact O-NH2 3.16Å; M558-R581 PolarHBondContact O-NH1 2.79Å; M558-R581 PolarHBondContact O-NH2 2.94Å; M558-R581 HydrophobicContact SD-CB 3.91Å; M558-R581 HydrophobicContact SD-CG 3.76Å; G561-R581 PolarHBondContact O-NE 3.41Å; G561-R581 VanDerWaalsContact O-NE 3.09Å; G561-R581 PolarHBondContact O-NH2 3.46Å; A562-R581 WeakPolarHBondContact O-CA 3.13Å; F579-R581 HydrophobicContact CD2-CG 4.06Å; F579-R581 HydrophobicContact CE2-CG 3.78Å; R581-S588 CarbonylContact O-C 3.52Å; R581-S588 WeakPolarHBondContact O-CA 3.13Å; R581-F589 HydrophobicContact CB-CB 4.48Å; R581-F589 PolarHBondContact N-O 2.89Å; R581-F589 PolarHBondContact O-N 3.24Å
582	K	95.1	Very high	88.6	Confident	72 Å²	72	34.6 Å²	34.6	31%	0.313	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	126.1	-172.9	-56.2	-175.7	176	163.1	0	111.3	G561 A562 E564 M580 S588	G561-K582 CarbonylContact C-O 3.37Å; G561-K582 WeakPolarHBondContact CA-O 3.33Å; A562-K582 PolarHBondContact N-O 3.39Å; A562-K582 PolarHBondContact O-N 3.4Å; E564-K582 IonicContact OE2-NZ 3.27Å; E564-K582 PolarHBondContact OE2-NZ 3.36Å; M580-K582 HydrophobicContact CB-CG 4.25Å; M580-K582 WeakPolarHBondContact SD-CE 3.4Å; M580-K582 PolarHBondContact SD-NZ 2.85Å; M580-K582 VanDerWaalsContact SD-NZ 3.41Å; K582-S588 WeakPolarHBondContact CG-OG 3.35Å
583	A	94	Very high	90.4	Very high	10 Å²	10	32.6 Å²	32.6	8%	0.083	19%	0.189	C	C	.	.			trans	-117.6	137.9	164.4	0	0	0	0	0	110	S557 G585 F586	S557-A583 PolarHBondContact OG-N 2.88Å; A583-G585 PolarHBondContact O-N 2.89Å; A583-G585 VanDerWaalsContact O-N 3.15Å; A583-F586 HydrophobicContact CB-CB 4.29Å; A583-F586 HydrophobicContact CB-CD2 3.87Å; A583-F586 HydrophobicContact CB-CG 4.49Å; A583-F586 PolarHBondContact O-N 2.82Å; A583-F586 VanDerWaalsContact O-N 3.08Å
584	K	91.7	Very high	91.8	Very high	204 Å²	204	30.5 Å²	30.5	89%	0.887	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.1	120.5	-177.9	-175.7	178	-179.7	177.3	0	110.7	F586	K584-F586 WeakPolarHBondContact O-CD2 3.49Å
585	G	90.8	Very high	92.5	Very high	57 Å²	57	27.5 Å²	27.5	59%	0.588	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	85.9	7.2	178.9	0	0	0	0	0	115.4	P113 A583	P113-G585 WeakPolarHBondContact CG-O 3.42Å; A583-G585 PolarHBondContact O-N 2.89Å; A583-G585 VanDerWaalsContact O-N 3.15Å
586	F	93.8	Very high	92.4	Very high	46 Å²	46	30.4 Å²	30.4	20%	0.202	17%	0.167	C	C	.	.	S	Bend	trans	-125	160.5	178.2	-59.6	-80.7	0	0	0	110.9	P113 V115 H556 W560 A583 K584 S588	P113-F586 HydrophobicContact CB-CD2 4.44Å; P113-F586 HydrophobicContact CB-CE2 3.7Å; P113-F586 HydrophobicContact CB-CZ 3.78Å; P113-F586 HydrophobicContact CG-CE2 4.5Å; P113-F586 HydrophobicContact CG-CZ 4.38Å; V115-F586 HydrophobicContact CG2-CZ 3.89Å; H556-F586 HydrophobicContact CB-CB 3.95Å; H556-F586 HydrophobicContact CB-CD1 3.46Å; H556-F586 VanDerWaalsContact CB-CD1 3.46Å; H556-F586 HydrophobicContact CB-CD2 3.81Å; H556-F586 HydrophobicContact CB-CE1 3.86Å; H556-F586 HydrophobicContact CB-CE2 4.17Å; H556-F586 HydrophobicContact CB-CG 3.44Å; H556-F586 VanDerWaalsContact CB-CG 3.44Å; H556-F586 HydrophobicContact CB-CZ 4.19Å; H556-F586 AromaticContact CD2-CD1 3.64Å; H556-F586 AromaticContact CD2-CE1 3.07Å; H556-F586 WeakPolarHBondContact CD2-CE1 3.46Å; H556-F586 AromaticContact CD2-CZ 3.3Å; H556-F586 WeakPolarHBondContact CD2-CZ 3.43Å; H556-F586 AromaticContact CE1-CE1 3.85Å; H556-F586 AromaticContact CG-CD1 3.34Å; H556-F586 AromaticContact CG-CE1 3.33Å; H556-F586 AromaticContact CG-CG 3.88Å; H556-F586 AromaticContact CG-CZ 3.85Å; H556-F586 AromaticContact ND1-CD1 3.69Å; H556-F586 AromaticContact ND1-CE1 3.75Å; H556-F586 AromaticContact NE2-CE1 3.52Å; H556-F586 AromaticContact NE2-CZ 4Å; W560-F586 HydrophobicContact CZ2-CE2 4.1Å; W560-F586 HydrophobicContact CZ2-CZ 4.36Å; A583-F586 HydrophobicContact CB-CB 4.29Å; A583-F586 HydrophobicContact CB-CD2 3.87Å; A583-F586 HydrophobicContact CB-CG 4.49Å; A583-F586 PolarHBondContact O-N 2.82Å; A583-F586 VanDerWaalsContact O-N 3.08Å; K584-F586 WeakPolarHBondContact O-CD2 3.49Å; F586-S588 PolarHBondContact O-N 3.07Å
587	S	93.3	Very high	91.8	Very high	47 Å²	47	29.8 Å²	29.8	33%	0.329	16%	0.163	S	C	.	.			trans	-54.3	138.1	176.3	-54.5	0	0	0	0	110.8	S557 F589 E650	S557-S587 WeakPolarHBondContact CB-O 3.22Å; S557-S587 PolarHBondContact OG-O 3.2Å; S587-F589 WeakPolarHBondContact O-CE2 3.18Å; S587-E650 WeakPolarHBondContact CB-OE1 3.45Å; S587-E650 PolarHBondContact OG-OE1 3.42Å
588	S	96.3	Very high	91.2	Very high	28 Å²	28	35 Å²	35	20%	0.196	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	157.3	174.3	-62.6	0	0	0	0	110.3	R581 K582 F586 C651	R581-S588 CarbonylContact O-C 3.52Å; R581-S588 WeakPolarHBondContact O-CA 3.13Å; K582-S588 WeakPolarHBondContact CG-OG 3.35Å; F586-S588 PolarHBondContact O-N 3.07Å; S588-C651 WeakPolarHBondContact O-CB 3.48Å; S588-C651 PolarHBondContact O-N 3.04Å
589	F	97.6	Very high	90.6	Very high	2 Å²	2	41.4 Å²	41.4	1%	0.009	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	139.3	177.6	-64.3	-98.8	0	0	0	110.6	L552 D555 M558 M580 R581 S587 R615 V648 F649 E650	L552-F589 HydrophobicContact CD1-CD1 4.24Å; L552-F589 HydrophobicContact CD1-CE1 3.72Å; L552-F589 HydrophobicContact CD1-CZ 4.24Å; D555-F589 HydrophobicContact CB-CE2 4.37Å; D555-F589 HydrophobicContact CB-CZ 4.29Å; D555-F589 WeakPolarHBondContact OD1-CE2 3.25Å; M558-F589 HydrophobicContact CE-CB 3.36Å; M558-F589 HydrophobicContact CE-CD1 3.84Å; M558-F589 HydrophobicContact CE-CD2 4.11Å; M558-F589 HydrophobicContact CE-CG 3.49Å; M558-F589 VanDerWaalsContact CE-CG 3.49Å; M558-F589 HydrophobicContact CG-CD2 4.32Å; M558-F589 HydrophobicContact SD-CB 4.46Å; M580-F589 CarbonylContact C-O 3.58Å; M580-F589 WeakPolarHBondContact CA-O 3.43Å; R581-F589 HydrophobicContact CB-CB 4.48Å; R581-F589 PolarHBondContact N-O 2.89Å; R581-F589 PolarHBondContact O-N 3.24Å; S587-F589 WeakPolarHBondContact O-CE2 3.18Å; F589-R615 HydrophobicContact CD1-CG 4.47Å; F589-R615 HydrophobicContact CE1-CG 4.11Å; F589-V648 HydrophobicContact CB-CG1 4.41Å; F589-V648 HydrophobicContact CD1-CG1 4.23Å; F589-F649 CarbonylContact C-O 3.58Å; F589-F649 WeakPolarHBondContact CA-O 3.42Å; F589-E650 HydrophobicContact CD1-CB 3.95Å; F589-E650 HydrophobicContact CD1-CG 4.37Å; F589-E650 HydrophobicContact CE1-CB 3.65Å; F589-E650 HydrophobicContact CE1-CG 3.81Å; F589-E650 HydrophobicContact CZ-CB 4.34Å; F589-E650 HydrophobicContact CZ-CG 3.98Å
590	I	97	Very high	90.1	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	125.1	168.2	-63.1	168.5	0	0	0	107.5	I566 M580 I592 L605 F608 C609 V648 F649	I566-I590 HydrophobicContact CD1-CG2 3.73Å; M580-I590 HydrophobicContact CE-CD1 4.46Å; M580-I590 HydrophobicContact CE-CG1 3.9Å; M580-I590 HydrophobicContact CG-CG1 4.01Å; M580-I590 HydrophobicContact SD-CG1 4.46Å; I590-I592 HydrophobicContact CG2-CD1 4.03Å; I590-I592 HydrophobicContact CG2-CG1 3.8Å; I590-L605 HydrophobicContact CD1-CB 4.35Å; I590-F608 HydrophobicContact CD1-CB 3.85Å; I590-C609 HydrophobicContact CD1-CB 3.49Å; I590-C609 VanDerWaalsContact CD1-CB 3.49Å; I590-V648 CarbonylContact O-C 3.33Å; I590-V648 WeakPolarHBondContact O-CA 3.3Å; I590-F649 HydrophobicContact CB-CB 4.42Å; I590-F649 PolarHBondContact N-O 2.9Å; I590-F649 PolarHBondContact O-N 2.78Å
591	V	96.4	Very high	89.5	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	131.4	174	178.8	0	0	0	0	108.3	L450 M558 A578 F579 I593 L647 V648	L450-V591 HydrophobicContact CB-CG1 4.37Å; L450-V591 HydrophobicContact CB-CG2 4.37Å; L450-V591 HydrophobicContact CD1-CG1 3.75Å; L450-V591 HydrophobicContact CD2-CG2 4.24Å; M558-V591 HydrophobicContact CE-CG2 4.14Å; A578-V591 CarbonylContact C-O 3.55Å; A578-V591 WeakPolarHBondContact CA-O 3.36Å; A578-V591 WeakPolarHBondContact CB-O 3.34Å; F579-V591 HydrophobicContact CD1-CB 4.19Å; F579-V591 HydrophobicContact CD1-CG1 4.32Å; F579-V591 HydrophobicContact CD2-CB 4.13Å; F579-V591 HydrophobicContact CD2-CG2 4.34Å; F579-V591 HydrophobicContact CE1-CB 3.81Å; F579-V591 HydrophobicContact CE1-CG1 3.57Å; F579-V591 HydrophobicContact CE2-CB 3.74Å; F579-V591 HydrophobicContact CE2-CG1 4.19Å; F579-V591 HydrophobicContact CE2-CG2 3.71Å; F579-V591 HydrophobicContact CG-CB 4.35Å; F579-V591 HydrophobicContact CZ-CB 3.58Å; F579-V591 HydrophobicContact CZ-CG1 3.5Å; F579-V591 HydrophobicContact CZ-CG2 3.86Å; F579-V591 PolarHBondContact N-O 2.77Å; F579-V591 PolarHBondContact O-N 3.18Å; V591-I593 HydrophobicContact CG1-CD1 4.39Å; V591-L647 WeakPolarHBondContact CA-O 3.42Å; V591-V648 HydrophobicContact CG1-CG2 4.45Å; V591-V648 HydrophobicContact CG2-CG1 4.12Å; V591-V648 HydrophobicContact CG2-CG2 4.26Å
592	I	93.9	Very high	89.1	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	123.9	178.7	-48.5	178.2	0	0	0	108.1	F568 I576 A578 I590 L594 L603 L605 L647 F649	F568-I592 HydrophobicContact CE2-CD1 3.96Å; F568-I592 HydrophobicContact CE2-CG1 4.32Å; F568-I592 HydrophobicContact CZ-CD1 3.73Å; F568-I592 HydrophobicContact CZ-CG1 4.44Å; I576-I592 HydrophobicContact CG2-CG2 4.15Å; A578-I592 HydrophobicContact CB-CB 4.44Å; A578-I592 HydrophobicContact CB-CG1 4.07Å; A578-I592 HydrophobicContact CB-CG2 4.37Å; I590-I592 HydrophobicContact CG2-CD1 4.03Å; I590-I592 HydrophobicContact CG2-CG1 3.8Å; I592-L594 HydrophobicContact CG2-CD2 3.64Å; I592-L594 HydrophobicContact CG2-CG 4.07Å; I592-L603 HydrophobicContact CD1-CD1 3.99Å; I592-L603 HydrophobicContact CG2-CD1 4.36Å; I592-L605 HydrophobicContact CD1-CD2 3.66Å; I592-L647 HydrophobicContact CB-CB 4.26Å; I592-L647 PolarHBondContact N-O 3.36Å; I592-L647 PolarHBondContact O-N 2.84Å; I592-F649 HydrophobicContact CD1-CD2 4.44Å; I592-F649 HydrophobicContact CD1-CE2 4.14Å
593	I	92	Very high	88.8	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	119.3	171.8	-55.3	-57.9	0	0	0	107.3	I413 N443 L447 E577 V591 K595 Y645 I646	I413-I593 HydrophobicContact CD1-CG1 4.46Å; N443-I593 HydrophobicContact CB-CG2 3.94Å; N443-I593 WeakPolarHBondContact ND2-CG2 3.4Å; L447-I593 HydrophobicContact CD1-CG1 4.41Å; L447-I593 HydrophobicContact CD2-CD1 4.32Å; L447-I593 HydrophobicContact CD2-CG1 3.83Å; L447-I593 HydrophobicContact CG-CD1 4.41Å; L447-I593 HydrophobicContact CG-CG1 4.13Å; E577-I593 PolarHBondContact N-O 2.83Å; E577-I593 PolarHBondContact O-N 2.99Å; V591-I593 HydrophobicContact CG1-CD1 4.39Å; I593-K595 HydrophobicContact CG2-CG 4.19Å; I593-Y645 WeakPolarHBondContact CA-O 3.37Å; I593-I646 HydrophobicContact CD1-CB 4.24Å; I593-I646 HydrophobicContact CD1-CG1 3.92Å; I593-I646 HydrophobicContact CD1-CG2 3.97Å
594	L	88.2	Confident	88.7	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	130.8	174.8	-51.2	174.4	0	0	0	108.5	Q575 I576 I592 L597 L603 I637 N644 Y645 L647	Q575-L594 CarbonylContact O-C 3.58Å; Q575-L594 VanDerWaalsContact O-CA 3.32Å; Q575-L594 WeakPolarHBondContact O-CA 3.5Å; I576-L594 HydrophobicContact CB-CD2 4.05Å; I576-L594 HydrophobicContact CD1-CD2 4.05Å; I576-L594 HydrophobicContact CG1-CD2 3.65Å; I576-L594 HydrophobicContact CG2-CD2 3.73Å; I592-L594 HydrophobicContact CG2-CD2 3.64Å; I592-L594 HydrophobicContact CG2-CG 4.07Å; L594-L597 HydrophobicContact CB-CD1 4.01Å; L594-L597 HydrophobicContact CB-CD2 3.96Å; L594-L597 HydrophobicContact CB-CG 4.06Å; L594-L597 HydrophobicContact CD1-CD1 3.93Å; L594-L597 HydrophobicContact CD2-CD2 4.46Å; L594-L603 HydrophobicContact CD1-CD1 4.29Å; L594-I637 HydrophobicContact CD1-CB 4.3Å; L594-I637 HydrophobicContact CD1-CG1 4.03Å; L594-I637 HydrophobicContact CD1-CG2 3.8Å; L594-N644 CarbonylContact O-C 3.52Å; L594-N644 WeakPolarHBondContact O-CA 3.41Å; L594-N644 WeakPolarHBondContact O-CB 3.32Å; L594-Y645 HydrophobicContact CD1-CD2 4.45Å; L594-Y645 HydrophobicContact CD1-CG 4.46Å; L594-Y645 PolarHBondContact N-O 2.96Å; L594-Y645 PolarHBondContact O-N 2.78Å; L594-L647 HydrophobicContact CD1-CD1 4Å
595	K	83.4	Confident	88.7	Confident	30 Å²	30	41.6 Å²	41.6	13%	0.13	23%	0.229	C	C	.	.			trans	-124.6	133.2	-178.6	-67.8	171.6	176	171.9	0	109.7	E412 Q575 E577 I593 L597 N644	E412-K595 IonicContact OE2-NZ 3.45Å; E412-K595 PolarHBondContact OE2-NZ 2.74Å; Q575-K595 WeakPolarHBondContact CA-O 3.45Å; Q575-K595 VanDerWaalsContact CB-O 3.27Å; Q575-K595 WeakPolarHBondContact CB-O 3.41Å; Q575-K595 WeakPolarHBondContact CG-O 3.32Å; Q575-K595 PolarHBondContact O-N 3.29Å; E577-K595 WeakPolarHBondContact OE2-CE 3.32Å; E577-K595 IonicContact OE2-NZ 3.57Å; E577-K595 PolarHBondContact OE2-NZ 3.08Å; I593-K595 HydrophobicContact CG2-CG 4.19Å; K595-L597 PolarHBondContact O-N 2.8Å; K595-N644 VanDerWaalsContact CA-OD1 3.3Å; K595-N644 WeakPolarHBondContact CA-OD1 3.34Å
596	D	78.2	Confident	88.8	Confident	104 Å²	104	42.1 Å²	42.1	56%	0.556	22%	0.221	S	C	*	.	S	Bend	trans	43.9	55	171.4	-62.2	-42.5	0	0	0	113.9	Q575 M598 N644	Q575-D596 PolarHBondContact NE2-O 3.38Å; D596-M598 PolarHBondContact O-N 3.37Å; D596-N644 PolarHBondContact N-OD1 2.82Å
597	L	75.9	Confident	88.7	Confident	3 Å²	3	44.7 Å²	44.7	2%	0.016	24%	0.243	C	C	.	.			trans	-63.5	110.3	-178.4	-66.5	-178.3	0	0	0	110.6	L594 K595 I637 Y645	L594-L597 HydrophobicContact CB-CD1 4.01Å; L594-L597 HydrophobicContact CB-CD2 3.96Å; L594-L597 HydrophobicContact CB-CG 4.06Å; L594-L597 HydrophobicContact CD1-CD1 3.93Å; L594-L597 HydrophobicContact CD2-CD2 4.46Å; K595-L597 PolarHBondContact O-N 2.8Å; L597-I637 HydrophobicContact CD1-CG2 3.65Å; L597-Y645 HydrophobicContact CD1-CD2 4.1Å; L597-Y645 HydrophobicContact CD1-CE2 4.37Å
598	M	76.6	Confident	88.5	Confident	121 Å²	121	45.6 Å²	45.6	60%	0.596	24%	0.24	S	C	*	.			trans	-85.2	-17	-179.4	-65.5	-61	-75.6	0	0	112.8	D596 K639	D596-M598 PolarHBondContact O-N 3.37Å; M598-K639 WeakPolarHBondContact O-CD 3.42Å; M598-K639 WeakPolarHBondContact O-CE 3.13Å; M598-K639 PolarHBondContact O-NZ 3.41Å
599	E	80.1	Confident	88.1	Confident	139 Å²	139	44.8 Å²	44.8	65%	0.65	24%	0.235	S	C	*	.	S	Bend	trans	-143.8	170.8	-175.4	-59.8	-172.9	-178.7	0	0	110.8	H601	E599-H601 PolarHBondContact O-CD2 3.2Å; E599-H601 VanDerWaalsContact O-CD2 3.23Å
600	N	85.2	Confident	87.6	Confident	89 Å²	89	48.3 Å²	48.3	48%	0.476	26%	0.26	S	S	.	.			trans	-76.3	142.4	174.2	-57.4	-46.6	0	0	0	109.6	Y636 P638 K639	N600-Y636 HydrophobicContact CB-CE2 3.82Å; N600-Y636 WeakPolarHBondContact CB-OH 3.14Å; N600-Y636 PolarHBondContact ND2-OH 3.46Å; N600-Y636 VanDerWaalsContact ND2-OH 3.12Å; N600-Y636 PolarHBondContact OD1-OH 2.89Å; N600-P638 WeakPolarHBondContact OD1-CA 3.26Å; N600-K639 WeakPolarHBondContact OD1-CB 3.44Å; N600-K639 PolarHBondContact OD1-N 2.96Å
601	H	83.6	Confident	87.3	Confident	42 Å²	42	51.1 Å²	51.1	19%	0.194	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	141.7	177.7	-68.5	-86.4	0	0	0	111.8	E599 I637	E599-H601 PolarHBondContact O-CD2 3.2Å; E599-H601 VanDerWaalsContact O-CD2 3.23Å; H601-I637 PolarHBondContact N-O 3.23Å; H601-I637 PolarHBondContact O-N 3.46Å
602	L	88.4	Confident	87.2	Confident	115 Å²	115	51.1 Å²	51.1	60%	0.602	28%	0.278	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.7	105.9	166.8	-177.5	68.6	0	0	0	108.4	D604 K634	L602-D604 PolarHBondContact O-N 3Å; L602-K634 HydrophobicContact CD1-CB 4.27Å
603	L	88.8	Confident	87.2	Confident	3 Å²	3	51.6 Å²	51.6	2%	0.016	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	109.1	176.2	-58.4	176.9	0	0	0	109	F568 I576 I592 L594 L605 K634 I635 I637 L647	F568-L603 HydrophobicContact CD2-CD2 4.42Å; I576-L603 HydrophobicContact CD1-CD2 4.15Å; I592-L603 HydrophobicContact CD1-CD1 3.99Å; I592-L603 HydrophobicContact CG2-CD1 4.36Å; L594-L603 HydrophobicContact CD1-CD1 4.29Å; L603-L605 HydrophobicContact CB-CD2 4.37Å; L603-K634 CarbonylContact O-C 3.58Å; L603-K634 WeakPolarHBondContact O-CA 3.25Å; L603-I635 HydrophobicContact CB-CB 4.44Å; L603-I635 PolarHBondContact N-O 3.42Å; L603-I635 PolarHBondContact O-N 3.24Å; L603-I637 HydrophobicContact CD1-CD1 4.48Å; L603-I637 HydrophobicContact CD1-CG1 3.73Å; L603-I637 HydrophobicContact CG-CG1 4.21Å; L603-L647 HydrophobicContact CD1-CD1 3.93Å
604	D	91.4	Very high	87.4	Confident	48 Å²	48	51.6 Å²	51.6	26%	0.257	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	99.5	173.7	-163.7	-17.7	0	0	0	109.9	L602 T606 P607 K634	L602-D604 PolarHBondContact O-N 3Å; D604-T606 VanDerWaalsContact C-N 3.32Å; D604-T606 WeakPolarHBondContact OD1-CB 3.36Å; D604-T606 PolarHBondContact OD1-N 3.39Å; D604-T606 VanDerWaalsContact OD1-N 3.13Å; D604-T606 PolarHBondContact OD1-OG1 3.11Å; D604-P607 WeakPolarHBondContact O-CD 3.35Å; D604-K634 HydrophobicContact CB-CG 4.46Å; D604-K634 WeakPolarHBondContact OD2-CE 3.2Å; D604-K634 IonicContact OD2-NZ 3.54Å; D604-K634 PolarHBondContact OD2-NZ 3.09Å
605	L	92.5	Very high	87.7	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	30%	0.297	C	S	.	.			trans	-83.1	-9.7	179.4	-49.5	-174.1	0	0	0	112.9	F568 I590 I592 L603 P607 F608 C609 V612 S633 I635 F649	F568-L605 HydrophobicContact CE1-CD2 3.58Å; F568-L605 HydrophobicContact CZ-CD2 3.5Å; F568-L605 VanDerWaalsContact CZ-CD2 3.5Å; I590-L605 HydrophobicContact CD1-CB 4.35Å; I592-L605 HydrophobicContact CD1-CD2 3.66Å; L603-L605 HydrophobicContact CB-CD2 4.37Å; L605-P607 VanDerWaalsContact C-N 3.32Å; L605-F608 PolarHBondContact O-N 3.03Å; L605-C609 CarbonylContact C-O 3.54Å; L605-C609 PolarHBondContact O-N 3.12Å; L605-C609 VanDerWaalsContact O-O 3.1Å; L605-V612 HydrophobicContact CB-CG1 4.5Å; L605-V612 HydrophobicContact CD1-CG1 4.2Å; L605-V612 HydrophobicContact CD1-CG2 4.24Å; L605-S633 WeakPolarHBondContact CB-O 3.43Å; L605-S633 WeakPolarHBondContact CG-O 3.33Å; L605-S633 PolarHBondContact N-O 2.82Å; L605-I635 HydrophobicContact CD1-CD1 3.71Å; L605-I635 HydrophobicContact CG-CD1 4.37Å; L605-F649 HydrophobicContact CD1-CB 4.47Å; L605-F649 HydrophobicContact CD1-CD1 4.35Å; L605-F649 HydrophobicContact CD1-CD2 3.67Å; L605-F649 HydrophobicContact CD1-CE2 3.94Å; L605-F649 HydrophobicContact CD1-CG 3.9Å; L605-F649 HydrophobicContact CD1-CZ 4.42Å
606	T	91.9	Very high	88.3	Confident	68 Å²	68	54.5 Å²	54.5	42%	0.417	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.1	-40.5	-175.8	-44.4	0	0	0	0	113.9	D604 F608	D604-T606 VanDerWaalsContact C-N 3.32Å; D604-T606 WeakPolarHBondContact OD1-CB 3.36Å; D604-T606 PolarHBondContact OD1-N 3.39Å; D604-T606 VanDerWaalsContact OD1-N 3.13Å; D604-T606 PolarHBondContact OD1-OG1 3.11Å; T606-F608 PolarHBondContact O-N 2.98Å
607	P	91.4	Very high	88.9	Confident	100 Å²	100	50 Å²	50	65%	0.649	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-23.9	178.6	-23.2	35.6	0	0	0	114.2	D604 L605	D604-P607 WeakPolarHBondContact O-CD 3.35Å; L605-P607 VanDerWaalsContact C-N 3.32Å
608	F	90.2	Very high	89.7	Confident	65 Å²	65	51.6 Å²	51.6	29%	0.285	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.9	-36.8	-177.3	-49	-68.2	0	0	0	111.6	I566 S567 F568 M580 I590 L605 T606	I566-F608 HydrophobicContact CB-CD1 4.13Å; I566-F608 HydrophobicContact CB-CE1 3.72Å; I566-F608 HydrophobicContact CB-CZ 3.99Å; I566-F608 HydrophobicContact CD1-CD1 4.4Å; I566-F608 HydrophobicContact CD1-CD2 4.1Å; I566-F608 HydrophobicContact CD1-CE2 4.24Å; I566-F608 HydrophobicContact CD1-CG 4.19Å; I566-F608 HydrophobicContact CD1-CZ 4.46Å; I566-F608 HydrophobicContact CG2-CD1 3.8Å; I566-F608 HydrophobicContact CG2-CE1 3.81Å; S567-F608 WeakPolarHBondContact O-CZ 3.36Å; F568-F608 AromaticContact CD1-CE2 3.94Å; F568-F608 HydrophobicContact CD1-CE2 3.94Å; F568-F608 HydrophobicContact CE1-CD2 4.07Å; F568-F608 AromaticContact CE1-CE2 3.51Å; F568-F608 HydrophobicContact CE1-CE2 3.51Å; F568-F608 HydrophobicContact CZ-CD2 4.5Å; F568-F608 HydrophobicContact CZ-CE2 4.11Å; M580-F608 HydrophobicContact CE-CB 4.42Å; M580-F608 HydrophobicContact SD-CB 4.11Å; I590-F608 HydrophobicContact CD1-CB 3.85Å; L605-F608 PolarHBondContact O-N 3.03Å; T606-F608 PolarHBondContact O-N 2.98Å
609	C	86.8	Confident	90.1	Very high	11 Å²	11	47.8 Å²	47.8	7%	0.074	26%	0.257	C	S	.	.			trans	-168.1	129.5	-166.2	-166.3	0	0	0	0	114	I590 L605 V612 S633 C651	I590-C609 HydrophobicContact CD1-CB 3.49Å; I590-C609 VanDerWaalsContact CD1-CB 3.49Å; L605-C609 CarbonylContact C-O 3.54Å; L605-C609 PolarHBondContact O-N 3.12Å; L605-C609 VanDerWaalsContact O-O 3.1Å; C609-V612 HydrophobicContact CB-CG1 3.85Å; C609-S633 PolarHBondContact O-OG 3.26Å; C609-S633 VanDerWaalsContact O-OG 3.1Å; C609-C651 HydrophobicContact CB-CB 4.24Å; C609-C651 WeakPolarHBondContact CB-SG 3.15Å; C609-C651 WeakPolarHBondContact SG-CA 3.12Å; C609-C651 WeakPolarHBondContact SG-CB 3.2Å; C609-C651 CovalentContact SG-SG 2.02Å; C609-C651 PolarHBondContact SG-SG 3.23Å
610	S	87.3	Confident	90.3	Very high	77 Å²	77	44.3 Å²	44.3	54%	0.538	25%	0.248	S	C	.	.	S	Bend	trans	-158.8	124.9	174	-171.9	0	0	0	0	111.1	S633	S610-S633 WeakPolarHBondContact CA-OG 3.48Å; S610-S633 WeakPolarHBondContact CB-OG 3.32Å; S610-S633 PolarHBondContact OG-OG 2.65Å
611	P	91	Very high	90.1	Very high	59 Å²	59	40.8 Å²	40.8	38%	0.383	23%	0.229	S	C	.	.	S	Bend	cis	-79.6	164.6	0.4	32.4	-32.4	0	0	0	112.7	N652	P611-N652 HydrophobicContact CG-CB 4.18Å; P611-N652 PolarHBondContact O-N 3.12Å
612	V	93.9	Very high	89.9	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	145.1	177.3	-71.2	0	0	0	0	111.6	L605 C609 L630 F649 E650	L605-V612 HydrophobicContact CB-CG1 4.5Å; L605-V612 HydrophobicContact CD1-CG1 4.2Å; L605-V612 HydrophobicContact CD1-CG2 4.24Å; C609-V612 HydrophobicContact CB-CG1 3.85Å; V612-L630 HydrophobicContact CG2-CB 4.34Å; V612-L630 HydrophobicContact CG2-CD1 4.08Å; V612-L630 HydrophobicContact CG2-CG 4.45Å; V612-L630 PolarHBondContact O-N 3.16Å; V612-F649 HydrophobicContact CB-CB 4.16Å; V612-F649 HydrophobicContact CB-CD1 4.43Å; V612-F649 HydrophobicContact CG1-CB 4.39Å; V612-F649 HydrophobicContact CG2-CD1 4.39Å; V612-E650 WeakPolarHBondContact CA-O 3.49Å
613	T	95.5	Very high	89.6	Confident	9 Å²	9	46.7 Å²	46.7	6%	0.055	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	119.5	172.4	-57	0	0	0	0	109.8	R615 F649 E650 N652	T613-R615 PolarHBondContact O-N 3.29Å; T613-F649 CarbonylContact O-C 3.51Å; T613-F649 WeakPolarHBondContact O-CA 2.98Å; T613-E650 PolarHBondContact N-O 3.21Å; T613-E650 PolarHBondContact O-N 3.19Å; T613-N652 PolarHBondContact OG1-ND2 2.74Å; T613-N652 PolarHBondContact OG1-OD1 2.89Å; T613-N652 VanDerWaalsContact OG1-OD1 3.07Å
614	P	95.3	Very high	89.4	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	127.5	175.7	-14.4	29.9	0	0	0	110.3	I617 T626 D627 T628 L630 F649	P614-I617 HydrophobicContact CB-CD1 3.6Å; P614-I617 HydrophobicContact CB-CG1 4.08Å; P614-I617 HydrophobicContact CG-CD1 4.38Å; P614-T626 CarbonylContact O-C 3.48Å; P614-T626 VanDerWaalsContact O-CA 3.32Å; P614-T626 WeakPolarHBondContact O-CA 3.27Å; P614-D627 PolarHBondContact O-N 3.15Å; P614-T628 WeakPolarHBondContact CD-O 3.33Å; P614-L630 HydrophobicContact CG-CD1 3.94Å; P614-L630 HydrophobicContact CG-CD2 3.84Å; P614-L630 HydrophobicContact CG-CG 3.77Å; P614-F649 HydrophobicContact CB-CD1 3.97Å; P614-F649 HydrophobicContact CB-CE1 3.88Å; P614-F649 HydrophobicContact CG-CD1 4.02Å; P614-F649 HydrophobicContact CG-CE1 3.91Å
615	R	95.5	Very high	89.2	Confident	88 Å²	88	48.7 Å²	48.7	33%	0.332	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	-37.1	177.5	-57.1	-62	-65.9	161.4	9	111.6	F589 T613 D627 V648 E650	F589-R615 HydrophobicContact CD1-CG 4.47Å; F589-R615 HydrophobicContact CE1-CG 4.11Å; T613-R615 PolarHBondContact O-N 3.29Å; R615-D627 IonicContact CZ-OD1 3.59Å; R615-D627 VanDerWaalsContact CZ-OD1 3.27Å; R615-D627 IonicContact NH1-OD1 2.89Å; R615-D627 PolarHBondContact NH1-OD1 3.25Å; R615-D627 IonicContact NH2-OD1 2.66Å; R615-V648 PolarHBondContact N-O 2.91Å; R615-E650 WeakPolarHBondContact CD-OE2 3.41Å; R615-E650 HydrophobicContact CG-CB 3.74Å; R615-E650 IonicContact NE-OE2 3.58Å
616	I	94.7	Very high	89.1	Confident	4 Å²	4	50.8 Å²	50.8	2%	0.021	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	129.5	175.2	-59.4	-179.9	0	0	0	108.3	L545 K548 L549 L552 I646 L647 V648	L545-I616 HydrophobicContact CD1-CG2 3.92Å; K548-I616 HydrophobicContact CB-CD1 4.43Å; L549-I616 HydrophobicContact CD2-CD1 3.44Å; L549-I616 VanDerWaalsContact CD2-CD1 3.44Å; L549-I616 HydrophobicContact CG-CD1 3.94Å; L552-I616 HydrophobicContact CB-CD1 4.42Å; L552-I616 HydrophobicContact CD2-CD1 3.55Å; L552-I616 HydrophobicContact CD2-CG1 4.09Å; I616-I646 HydrophobicContact CG2-CG2 4.39Å; I616-L647 CarbonylContact O-C 3.58Å; I616-L647 WeakPolarHBondContact O-CA 3.21Å; I616-V648 HydrophobicContact CB-CB 3.95Å; I616-V648 HydrophobicContact CB-CG2 3.95Å; I616-V648 HydrophobicContact CD1-CG2 4.26Å; I616-V648 HydrophobicContact CG1-CB 4.37Å; I616-V648 HydrophobicContact CG1-CG2 4.43Å; I616-V648 PolarHBondContact N-O 3.12Å; I616-V648 PolarHBondContact O-N 3.42Å
617	I	92.1	Very high	89	Confident	10 Å²	10	52 Å²	52	5%	0.051	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	110	169.5	-61.5	153.4	0	0	0	105.1	P614 P619 H621 L624 T626 L647	P614-I617 HydrophobicContact CB-CD1 3.6Å; P614-I617 HydrophobicContact CB-CG1 4.08Å; P614-I617 HydrophobicContact CG-CD1 4.38Å; I617-P619 CarbonylContact C-O 3.53Å; I617-P619 WeakPolarHBondContact CG2-O 3.41Å; I617-H621 HydrophobicContact CG2-CB 3.74Å; I617-L624 HydrophobicContact CD1-CB 3.38Å; I617-L624 HydrophobicContact CD1-CD1 4.44Å; I617-L624 WeakPolarHBondContact CD1-O 3.49Å; I617-L624 HydrophobicContact CG1-CB 4.42Å; I617-T626 HydrophobicContact CD1-CG2 4.1Å; I617-T626 HydrophobicContact CG1-CG2 4.49Å; I617-L647 HydrophobicContact CB-CD2 4.37Å; I617-L647 HydrophobicContact CG1-CD2 4.36Å; I617-L647 HydrophobicContact CG2-CD2 3.93Å
618	Y	91.1	Very high	89.1	Confident	36 Å²	36	50.8 Å²	50.8	14%	0.141	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	125.8	-178.2	-175.7	-90.7	0	0	0	110.7	Q540 N542 L545 Y645 I646	Q540-Y618 WeakPolarHBondContact O-CE2 3.44Å; N542-Y618 PolarHBondContact OD1-OH 2.86Å; L545-Y618 HydrophobicContact CB-CD2 3.8Å; L545-Y618 HydrophobicContact CB-CE2 3.76Å; L545-Y618 HydrophobicContact CB-CG 4.38Å; L545-Y618 HydrophobicContact CD1-CD2 4.06Å; L545-Y618 HydrophobicContact CD1-CG 3.92Å; L545-Y618 HydrophobicContact CD2-CD1 3.6Å; L545-Y618 HydrophobicContact CD2-CD2 3.94Å; L545-Y618 HydrophobicContact CD2-CE1 3.65Å; L545-Y618 HydrophobicContact CD2-CE2 4Å; L545-Y618 HydrophobicContact CD2-CG 3.72Å; L545-Y618 HydrophobicContact CG-CD2 4.13Å; L545-Y618 HydrophobicContact CG-CE2 4.36Å; L545-Y618 HydrophobicContact CG-CG 4.2Å; Y618-Y645 CarbonylContact O-C 3.57Å; Y618-Y645 VanDerWaalsContact O-CA 3.25Å; Y618-Y645 WeakPolarHBondContact O-CA 3.5Å; Y618-I646 HydrophobicContact CD1-CD1 3.96Å; Y618-I646 PolarHBondContact N-O 3.06Å; Y618-I646 PolarHBondContact O-N 2.92Å
619	P	86.6	Confident	89.2	Confident	40 Å²	40	51.4 Å²	51.4	26%	0.26	30%	0.297	S	S	.	.	S	Bend	cis	-61.9	163.9	-11.1	29.6	-36	0	0	0	111.3	I617 H621 N644 Y645	I617-P619 CarbonylContact C-O 3.53Å; I617-P619 WeakPolarHBondContact CG2-O 3.41Å; P619-H621 PolarHBondContact O-N 2.6Å; P619-N644 WeakPolarHBondContact CD-O 3.07Å; P619-Y645 HydrophobicContact CG-CD1 4.27Å; P619-Y645 HydrophobicContact CG-CE1 3.95Å
620	S	82.6	Confident	89.4	Confident	66 Å²	66	52.2 Å²	52.2	46%	0.462	30%	0.301	S	S	.	.			trans	-52.9	138.8	177.3	49.9	0	0	0	0	112.7
621	H	82.5	Confident	89.5	Confident	16 Å²	16	54.9 Å²	54.9	7%	0.074	32%	0.32	C	S	.	.			trans	-104	131.9	174.3	-174.5	-87.8	0	0	0	110	I617 P619 H623 L624 P638	I617-H621 HydrophobicContact CG2-CB 3.74Å; P619-H621 PolarHBondContact O-N 2.6Å; H621-H623 AromaticContact CE1-CD2 3.88Å; H621-H623 PolarHBondContact ND1-N 2.85Å; H621-H623 PolarHBondContact O-N 3.13Å; H621-L624 HydrophobicContact CB-CB 4.1Å; H621-L624 HydrophobicContact CB-CD1 4.05Å; H621-L624 HydrophobicContact CB-CG 4.28Å; H621-L624 PolarHBondContact O-N 2.8Å; H621-P638 WeakPolarHBondContact NE2-CD 3.43Å
622	P	79.1	Confident	89.5	Confident	115 Å²	115	55.4 Å²	55.4	75%	0.747	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-28.3	-174.2	-27.2	34.2	0	0	0	115.1
623	H	80.8	Confident	89.3	Confident	166 Å²	166	55.6 Å²	55.6	77%	0.769	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.9	1.9	-174.9	-54.8	-62.7	0	0	0	114.4	H621	H621-H623 AromaticContact CE1-CD2 3.88Å; H621-H623 PolarHBondContact ND1-N 2.85Å; H621-H623 PolarHBondContact O-N 3.13Å
624	L	85.1	Confident	89.1	Confident	25 Å²	25	60.1 Å²	60.1	13%	0.131	34%	0.342	C	S	.	.			trans	-119.9	111.7	179.1	-60.6	169.4	0	0	0	109	I617 H621 L630 I635	I617-L624 HydrophobicContact CD1-CB 3.38Å; I617-L624 HydrophobicContact CD1-CD1 4.44Å; I617-L624 WeakPolarHBondContact CD1-O 3.49Å; I617-L624 HydrophobicContact CG1-CB 4.42Å; H621-L624 HydrophobicContact CB-CB 4.1Å; H621-L624 HydrophobicContact CB-CD1 4.05Å; H621-L624 HydrophobicContact CB-CG 4.28Å; H621-L624 PolarHBondContact O-N 2.8Å; L624-L630 HydrophobicContact CD2-CD1 3.99Å; L624-L630 HydrophobicContact CD2-CD2 4.02Å; L624-I635 HydrophobicContact CD1-CG2 3.71Å; L624-I635 HydrophobicContact CD2-CG2 4.22Å
625	S	86.7	Confident	88.8	Confident	68 Å²	68	60.3 Å²	60.3	48%	0.476	34%	0.343	S	S	.	.			trans	-89.9	142.9	170.4	54.8	0	0	0	0	110.2
626	T	90.3	Very high	88.5	Confident	44 Å²	44	61.8 Å²	61.8	27%	0.27	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	159.2	170.1	60	0	0	0	0	110.4	P614 I617 T628	P614-T626 CarbonylContact O-C 3.48Å; P614-T626 VanDerWaalsContact O-CA 3.32Å; P614-T626 WeakPolarHBondContact O-CA 3.27Å; I617-T626 HydrophobicContact CD1-CG2 4.1Å; I617-T626 HydrophobicContact CG1-CG2 4.49Å; T626-T628 PolarHBondContact O-N 3.1Å; T626-T628 VanDerWaalsContact O-N 3.08Å
627	D	91.6	Very high	88.1	Confident	93 Å²	93	61.6 Å²	61.6	50%	0.497	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.6	6.9	171.2	-49.1	-71.6	0	0	0	115.7	P614 R615	P614-D627 PolarHBondContact O-N 3.15Å; R615-D627 IonicContact CZ-OD1 3.59Å; R615-D627 VanDerWaalsContact CZ-OD1 3.27Å; R615-D627 IonicContact NH1-OD1 2.89Å; R615-D627 PolarHBondContact NH1-OD1 3.25Å; R615-D627 IonicContact NH2-OD1 2.66Å
628	T	91.8	Very high	87.5	Confident	75 Å²	75	62.9 Å²	62.9	46%	0.46	36%	0.357	S	S	.	.	S	Bend	trans	-117.4	124.2	174.6	-50.8	0	0	0	0	109.9	P614 T626 L630	P614-T628 WeakPolarHBondContact CD-O 3.33Å; T626-T628 PolarHBondContact O-N 3.1Å; T626-T628 VanDerWaalsContact O-N 3.08Å; T628-L630 PolarHBondContact O-N 3.21Å
629	P	92.5	Very high	87	Confident	77 Å²	77	66.2 Å²	66.2	50%	0.5	37%	0.372	S	S	.	.			trans	-57	134	175.5	-24.5	33.4	0	0	0	111.7
630	L	92	Very high	86.2	Confident	29 Å²	29	65.3 Å²	65.3	15%	0.152	37%	0.366	C	S	.	.			trans	-77.3	142	176.6	-59.9	-177.9	0	0	0	110.5	V612 P614 L624 T628 T632 I635 F649	V612-L630 HydrophobicContact CG2-CB 4.34Å; V612-L630 HydrophobicContact CG2-CD1 4.08Å; V612-L630 HydrophobicContact CG2-CG 4.45Å; V612-L630 PolarHBondContact O-N 3.16Å; P614-L630 HydrophobicContact CG-CD1 3.94Å; P614-L630 HydrophobicContact CG-CD2 3.84Å; P614-L630 HydrophobicContact CG-CG 3.77Å; L624-L630 HydrophobicContact CD2-CD1 3.99Å; L624-L630 HydrophobicContact CD2-CD2 4.02Å; T628-L630 PolarHBondContact O-N 3.21Å; L630-T632 WeakPolarHBondContact CB-O 3.3Å; L630-T632 PolarHBondContact O-N 2.96Å; L630-I635 HydrophobicContact CD1-CD1 3.73Å; L630-I635 HydrophobicContact CD1-CG1 4.01Å; L630-F649 HydrophobicContact CD1-CE1 4.38Å
631	S	88.8	Confident	85.1	Confident	133 Å²	133	70.9 Å²	70.9	93%	0.93	39%	0.385	S	S	*	.	S	Bend	trans	-69.7	-19.9	173.2	57	0	0	0	0	113.2
632	T	90.3	Very high	83.8	Confident	70 Å²	70	79.6 Å²	79.6	43%	0.429	42%	0.423	S	S	.	.			trans	-136.5	137.9	178	172.8	0	0	0	0	110	L630 K634	L630-T632 WeakPolarHBondContact CB-O 3.3Å; L630-T632 PolarHBondContact O-N 2.96Å; T632-K634 PolarHBondContact O-N 3.39Å; T632-K634 WeakPolarHBondContact OG1-CB 3.2Å; T632-K634 PolarHBondContact OG1-N 2.89Å
633	S	90.5	Very high	83.1	Confident	3 Å²	3	75.7 Å²	75.7	2%	0.021	40%	0.398	C	S	.	.	S	Bend	trans	-83.3	6	171.4	-64.2	0	0	0	0	112.9	L605 C609 S610	L605-S633 WeakPolarHBondContact CB-O 3.43Å; L605-S633 WeakPolarHBondContact CG-O 3.33Å; L605-S633 PolarHBondContact N-O 2.82Å; C609-S633 PolarHBondContact O-OG 3.26Å; C609-S633 VanDerWaalsContact O-OG 3.1Å; S610-S633 WeakPolarHBondContact CA-OG 3.48Å; S610-S633 WeakPolarHBondContact CB-OG 3.32Å; S610-S633 PolarHBondContact OG-OG 2.65Å
634	K	91.1	Very high	83.1	Confident	104 Å²	104	70.4 Å²	70.4	45%	0.452	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	115.3	173.2	-55	-168.4	-176.7	-146	0	109.7	L602 L603 D604 T632	L602-K634 HydrophobicContact CD1-CB 4.27Å; L603-K634 CarbonylContact O-C 3.58Å; L603-K634 WeakPolarHBondContact O-CA 3.25Å; D604-K634 HydrophobicContact CB-CG 4.46Å; D604-K634 WeakPolarHBondContact OD2-CE 3.2Å; D604-K634 IonicContact OD2-NZ 3.54Å; D604-K634 PolarHBondContact OD2-NZ 3.09Å; T632-K634 PolarHBondContact O-N 3.39Å; T632-K634 WeakPolarHBondContact OG1-CB 3.2Å; T632-K634 PolarHBondContact OG1-N 2.89Å
635	I	89.2	Confident	83.3	Confident	5 Å²	5	69.8 Å²	69.8	3%	0.026	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	121.7	-170.2	-55.2	179.2	0	0	0	109.4	L603 L605 L624 L630 I637 F649	L603-I635 HydrophobicContact CB-CB 4.44Å; L603-I635 PolarHBondContact N-O 3.42Å; L603-I635 PolarHBondContact O-N 3.24Å; L605-I635 HydrophobicContact CD1-CD1 3.71Å; L605-I635 HydrophobicContact CG-CD1 4.37Å; L624-I635 HydrophobicContact CD1-CG2 3.71Å; L624-I635 HydrophobicContact CD2-CG2 4.22Å; L630-I635 HydrophobicContact CD1-CD1 3.73Å; L630-I635 HydrophobicContact CD1-CG1 4.01Å; I635-I637 HydrophobicContact CG2-CD1 3.81Å; I635-I637 HydrophobicContact CG2-CG1 4.44Å; I635-F649 HydrophobicContact CD1-CD1 4.09Å; I635-F649 HydrophobicContact CD1-CE1 3.29Å; I635-F649 HydrophobicContact CD1-CE2 3.96Å; I635-F649 HydrophobicContact CD1-CZ 3.21Å
636	Y	88.5	Confident	83.6	Confident	119 Å²	119	66.6 Å²	66.6	47%	0.467	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	125.8	173.2	179.2	-97.6	0	0	0	110.1	N600 P638	N600-Y636 HydrophobicContact CB-CE2 3.82Å; N600-Y636 WeakPolarHBondContact CB-OH 3.14Å; N600-Y636 PolarHBondContact ND2-OH 3.46Å; N600-Y636 VanDerWaalsContact ND2-OH 3.12Å; N600-Y636 PolarHBondContact OD1-OH 2.89Å; Y636-P638 HydrophobicContact CE1-CB 4Å
637	I	85.9	Confident	83.8	Confident	0 Å²	0	64.5 Å²	64.5	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	114.8	173.1	-54.7	-61.5	0	0	0	108.1	L594 L597 H601 L603 I635 Y645 L647	L594-I637 HydrophobicContact CD1-CB 4.3Å; L594-I637 HydrophobicContact CD1-CG1 4.03Å; L594-I637 HydrophobicContact CD1-CG2 3.8Å; L597-I637 HydrophobicContact CD1-CG2 3.65Å; H601-I637 PolarHBondContact N-O 3.23Å; H601-I637 PolarHBondContact O-N 3.46Å; L603-I637 HydrophobicContact CD1-CD1 4.48Å; L603-I637 HydrophobicContact CD1-CG1 3.73Å; L603-I637 HydrophobicContact CG-CG1 4.21Å; I635-I637 HydrophobicContact CG2-CD1 3.81Å; I635-I637 HydrophobicContact CG2-CG1 4.44Å; I637-Y645 HydrophobicContact CG2-CD2 4.17Å; I637-Y645 HydrophobicContact CG2-CE2 4.06Å; I637-L647 HydrophobicContact CD1-CD1 3.75Å; I637-L647 HydrophobicContact CG1-CD1 4.25Å
638	P	80.7	Confident	84	Confident	37 Å²	37	60 Å²	60	24%	0.24	31%	0.312	C	S	.	.			trans	-67.3	150.7	177.2	28.8	-33.6	0	0	0	110.6	N600 H621 Y636 T640	N600-P638 WeakPolarHBondContact OD1-CA 3.26Å; H621-P638 WeakPolarHBondContact NE2-CD 3.43Å; Y636-P638 HydrophobicContact CE1-CB 4Å; P638-T640 PolarHBondContact O-N 2.83Å
639	K	80.9	Confident	84.3	Confident	105 Å²	105	56.5 Å²	56.5	46%	0.457	29%	0.291	S	S	.	.			trans	-52.5	134.9	162.4	177.6	-176.3	179.6	152.9	0	108.1	M598 N600	M598-K639 WeakPolarHBondContact O-CD 3.42Å; M598-K639 WeakPolarHBondContact O-CE 3.13Å; M598-K639 PolarHBondContact O-NZ 3.41Å; N600-K639 WeakPolarHBondContact OD1-CB 3.44Å; N600-K639 PolarHBondContact OD1-N 2.96Å
640	T	69.2	Low	84.5	Confident	22 Å²	22	54.6 Å²	54.6	14%	0.135	28%	0.275	C	S	.	.			trans	-128.6	138	172.3	59	0	0	0	0	111.2	P638 K642 S643 Y645	P638-T640 PolarHBondContact O-N 2.83Å; T640-K642 PolarHBondContact O-N 3.05Å; T640-K642 VanDerWaalsContact O-N 3.12Å; T640-S643 WeakPolarHBondContact CB-OG 3.5Å; T640-S643 PolarHBondContact OG1-O 2.83Å; T640-S643 VanDerWaalsContact OG1-O 3.09Å; T640-S643 PolarHBondContact OG1-OG 2.83Å; T640-Y645 HydrophobicContact CG2-CE2 3.65Å; T640-Y645 WeakPolarHBondContact CG2-OH 3.39Å
641	E	58.7	Low	84.6	Confident	182 Å²	182	54 Å²	54	85%	0.85	27%	0.273	S	S	*	.	S	Bend	trans	-71.2	109.7	170.4	-67.9	-173.8	172.9	0	0	108.1	S643	E641-S643 VanDerWaalsContact C-N 3.33Å; E641-S643 PolarHBondContact O-N 3.46Å
642	K	56.7	Low	84.3	Confident	199 Å²	199	53.4 Å²	53.4	87%	0.865	26%	0.26	S	S	*	.	S	Bend	trans	62.9	22.8	170.6	-55.1	-177.7	176.7	-179.7	0	116.8	T640	T640-K642 PolarHBondContact O-N 3.05Å; T640-K642 VanDerWaalsContact O-N 3.12Å
643	S	62.8	Low	84	Confident	34 Å²	34	52.6 Å²	52.6	24%	0.238	25%	0.251	C	S	.	.			trans	-108.4	125.3	171.1	20.5	0	0	0	0	112	T640 E641	T640-S643 WeakPolarHBondContact CB-OG 3.5Å; T640-S643 PolarHBondContact OG1-O 2.83Å; T640-S643 VanDerWaalsContact OG1-O 3.09Å; T640-S643 PolarHBondContact OG1-OG 2.83Å; E641-S643 VanDerWaalsContact C-N 3.33Å; E641-S643 PolarHBondContact O-N 3.46Å
644	N	81.4	Confident	83.6	Confident	54 Å²	54	55.2 Å²	55.2	29%	0.289	26%	0.263	S	S	.	.			trans	-81.7	144.3	165.9	-66	-28	0	0	0	109.2	N443 L594 K595 D596 P619	N443-N644 VanDerWaalsContact ND2-CB 3.3Å; N443-N644 WeakPolarHBondContact ND2-CB 3.2Å; L594-N644 CarbonylContact O-C 3.52Å; L594-N644 WeakPolarHBondContact O-CA 3.41Å; L594-N644 WeakPolarHBondContact O-CB 3.32Å; K595-N644 VanDerWaalsContact CA-OD1 3.3Å; K595-N644 WeakPolarHBondContact CA-OD1 3.34Å; D596-N644 PolarHBondContact N-OD1 2.82Å; P619-N644 WeakPolarHBondContact CD-O 3.07Å
645	Y	89.2	Confident	83.2	Confident	13 Å²	13	52.5 Å²	52.5	5%	0.051	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	141.6	173.6	-72.9	-92.5	0	0	0	111.7	I593 L594 L597 Y618 P619 I637 T640 L647	I593-Y645 WeakPolarHBondContact CA-O 3.37Å; L594-Y645 HydrophobicContact CD1-CD2 4.45Å; L594-Y645 HydrophobicContact CD1-CG 4.46Å; L594-Y645 PolarHBondContact N-O 2.96Å; L594-Y645 PolarHBondContact O-N 2.78Å; L597-Y645 HydrophobicContact CD1-CD2 4.1Å; L597-Y645 HydrophobicContact CD1-CE2 4.37Å; Y618-Y645 CarbonylContact O-C 3.57Å; Y618-Y645 VanDerWaalsContact O-CA 3.25Å; Y618-Y645 WeakPolarHBondContact O-CA 3.5Å; P619-Y645 HydrophobicContact CG-CD1 4.27Å; P619-Y645 HydrophobicContact CG-CE1 3.95Å; I637-Y645 HydrophobicContact CG2-CD2 4.17Å; I637-Y645 HydrophobicContact CG2-CE2 4.06Å; T640-Y645 HydrophobicContact CG2-CE2 3.65Å; T640-Y645 WeakPolarHBondContact CG2-OH 3.39Å; Y645-L647 HydrophobicContact CD1-CD2 4.26Å
646	I	93.4	Very high	82.8	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	111.5	165.8	-57.4	154.7	0	0	0	106.5	N443 A446 L450 L545 I593 I616 Y618 V648	N443-I646 WeakPolarHBondContact OD1-CG1 3.36Å; A446-I646 HydrophobicContact CB-CD1 3.46Å; A446-I646 VanDerWaalsContact CB-CD1 3.46Å; A446-I646 HydrophobicContact CB-CG1 4.07Å; A446-I646 HydrophobicContact CB-CG2 4.15Å; L450-I646 HydrophobicContact CD1-CG2 4.1Å; L545-I646 HydrophobicContact CD2-CD1 3.72Å; I593-I646 HydrophobicContact CD1-CB 4.24Å; I593-I646 HydrophobicContact CD1-CG1 3.92Å; I593-I646 HydrophobicContact CD1-CG2 3.97Å; I616-I646 HydrophobicContact CG2-CG2 4.39Å; Y618-I646 HydrophobicContact CD1-CD1 3.96Å; Y618-I646 PolarHBondContact N-O 3.06Å; Y618-I646 PolarHBondContact O-N 2.92Å; I646-V648 HydrophobicContact CG2-CG2 4.42Å
647	L	94.3	Very high	82.5	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	129.3	178.1	-49.2	174.7	0	0	0	108.9	V591 I592 L594 L603 I616 I617 I637 Y645 F649	V591-L647 WeakPolarHBondContact CA-O 3.42Å; I592-L647 HydrophobicContact CB-CB 4.26Å; I592-L647 PolarHBondContact N-O 3.36Å; I592-L647 PolarHBondContact O-N 2.84Å; L594-L647 HydrophobicContact CD1-CD1 4Å; L603-L647 HydrophobicContact CD1-CD1 3.93Å; I616-L647 CarbonylContact O-C 3.58Å; I616-L647 WeakPolarHBondContact O-CA 3.21Å; I617-L647 HydrophobicContact CB-CD2 4.37Å; I617-L647 HydrophobicContact CG1-CD2 4.36Å; I617-L647 HydrophobicContact CG2-CD2 3.93Å; I637-L647 HydrophobicContact CD1-CD1 3.75Å; I637-L647 HydrophobicContact CG1-CD1 4.25Å; Y645-L647 HydrophobicContact CD1-CD2 4.26Å; L647-F649 HydrophobicContact CB-CD2 4.43Å; L647-F649 HydrophobicContact CB-CE2 3.54Å; L647-F649 HydrophobicContact CB-CZ 3.96Å; L647-F649 HydrophobicContact CD1-CE2 4.28Å; L647-F649 HydrophobicContact CD1-CZ 4.35Å; L647-F649 HydrophobicContact CG-CE2 4.5Å
648	V	96.7	Very high	82.3	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	123.4	174.3	-170.9	0	0	0	0	109.4	L450 L552 M558 F589 I590 V591 R615 I616 I646	L450-V648 HydrophobicContact CD1-CG2 3.95Å; L450-V648 HydrophobicContact CD2-CG2 3.93Å; L552-V648 HydrophobicContact CD2-CB 4.31Å; L552-V648 HydrophobicContact CD2-CG1 3.79Å; M558-V648 HydrophobicContact CE-CG1 3.76Å; F589-V648 HydrophobicContact CB-CG1 4.41Å; F589-V648 HydrophobicContact CD1-CG1 4.23Å; I590-V648 CarbonylContact O-C 3.33Å; I590-V648 WeakPolarHBondContact O-CA 3.3Å; V591-V648 HydrophobicContact CG1-CG2 4.45Å; V591-V648 HydrophobicContact CG2-CG1 4.12Å; V591-V648 HydrophobicContact CG2-CG2 4.26Å; R615-V648 PolarHBondContact N-O 2.91Å; I616-V648 HydrophobicContact CB-CB 3.95Å; I616-V648 HydrophobicContact CB-CG2 3.95Å; I616-V648 HydrophobicContact CD1-CG2 4.26Å; I616-V648 HydrophobicContact CG1-CB 4.37Å; I616-V648 HydrophobicContact CG1-CG2 4.43Å; I616-V648 PolarHBondContact N-O 3.12Å; I616-V648 PolarHBondContact O-N 3.42Å; I646-V648 HydrophobicContact CG2-CG2 4.42Å
649	F	96.8	Very high	82.4	Confident	0 Å²	0	56 Å²	56	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	134.2	-179.7	-57.7	-83.3	0	0	0	109.9	F589 I590 I592 L605 V612 T613 P614 L630 I635 L647	F589-F649 CarbonylContact C-O 3.58Å; F589-F649 WeakPolarHBondContact CA-O 3.42Å; I590-F649 HydrophobicContact CB-CB 4.42Å; I590-F649 PolarHBondContact N-O 2.9Å; I590-F649 PolarHBondContact O-N 2.78Å; I592-F649 HydrophobicContact CD1-CD2 4.44Å; I592-F649 HydrophobicContact CD1-CE2 4.14Å; L605-F649 HydrophobicContact CD1-CB 4.47Å; L605-F649 HydrophobicContact CD1-CD1 4.35Å; L605-F649 HydrophobicContact CD1-CD2 3.67Å; L605-F649 HydrophobicContact CD1-CE2 3.94Å; L605-F649 HydrophobicContact CD1-CG 3.9Å; L605-F649 HydrophobicContact CD1-CZ 4.42Å; V612-F649 HydrophobicContact CB-CB 4.16Å; V612-F649 HydrophobicContact CB-CD1 4.43Å; V612-F649 HydrophobicContact CG1-CB 4.39Å; V612-F649 HydrophobicContact CG2-CD1 4.39Å; T613-F649 CarbonylContact O-C 3.51Å; T613-F649 WeakPolarHBondContact O-CA 2.98Å; P614-F649 HydrophobicContact CB-CD1 3.97Å; P614-F649 HydrophobicContact CB-CE1 3.88Å; P614-F649 HydrophobicContact CG-CD1 4.02Å; P614-F649 HydrophobicContact CG-CE1 3.91Å; L630-F649 HydrophobicContact CD1-CE1 4.38Å; I635-F649 HydrophobicContact CD1-CD1 4.09Å; I635-F649 HydrophobicContact CD1-CE1 3.29Å; I635-F649 HydrophobicContact CD1-CE2 3.96Å; I635-F649 HydrophobicContact CD1-CZ 3.21Å; L647-F649 HydrophobicContact CB-CD2 4.43Å; L647-F649 HydrophobicContact CB-CE2 3.54Å; L647-F649 HydrophobicContact CB-CZ 3.96Å; L647-F649 HydrophobicContact CD1-CE2 4.28Å; L647-F649 HydrophobicContact CD1-CZ 4.35Å; L647-F649 HydrophobicContact CG-CE2 4.5Å
650	E	96.6	Very high	82.5	Confident	37 Å²	37	52.2 Å²	52.2	17%	0.173	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	138.1	167.7	-176.9	173.3	-170.7	0	0	109.7	S587 F589 V612 T613 R615	S587-E650 WeakPolarHBondContact CB-OE1 3.45Å; S587-E650 PolarHBondContact OG-OE1 3.42Å; F589-E650 HydrophobicContact CD1-CB 3.95Å; F589-E650 HydrophobicContact CD1-CG 4.37Å; F589-E650 HydrophobicContact CE1-CB 3.65Å; F589-E650 HydrophobicContact CE1-CG 3.81Å; F589-E650 HydrophobicContact CZ-CB 4.34Å; F589-E650 HydrophobicContact CZ-CG 3.98Å; V612-E650 WeakPolarHBondContact CA-O 3.49Å; T613-E650 PolarHBondContact N-O 3.21Å; T613-E650 PolarHBondContact O-N 3.19Å; R615-E650 WeakPolarHBondContact CD-OE2 3.41Å; R615-E650 HydrophobicContact CG-CB 3.74Å; R615-E650 IonicContact NE-OE2 3.58Å
651	C	93.8	Very high	83.6	Confident	16 Å²	16	54.8 Å²	54.8	11%	0.108	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	119.8	172.3	-75.2	0	0	0	0	111.1	S588 C609	S588-C651 WeakPolarHBondContact O-CB 3.48Å; S588-C651 PolarHBondContact O-N 3.04Å; C609-C651 HydrophobicContact CB-CB 4.24Å; C609-C651 WeakPolarHBondContact CB-SG 3.15Å; C609-C651 WeakPolarHBondContact SG-CA 3.12Å; C609-C651 WeakPolarHBondContact SG-CB 3.2Å; C609-C651 CovalentContact SG-SG 2.02Å; C609-C651 PolarHBondContact SG-SG 3.23Å
652	N	82.8	Confident	85.9	Confident	122 Å²	122	43.2 Å²	43.2	65%	0.652	22%	0.216	S	C	*	.			trans	-91.1	0	179.1	-53.7	-49	0	0	0	112.3	P611 T613	P611-N652 HydrophobicContact CG-CB 4.18Å; P611-N652 PolarHBondContact O-N 3.12Å; T613-N652 PolarHBondContact OG1-ND2 2.74Å; T613-N652 PolarHBondContact OG1-OD1 2.89Å; T613-N652 VanDerWaalsContact OG1-OD1 3.07Å

Retrieved 652 of 652 residues in 143.2 ms (Link to these results)

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