A0A087XFQ8_POEFO Loading...

non-specific serine/threonine protein kinase

AlphaFold DB , UniProt , Accession A0A087XFQ8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 427 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38	Very low	35.4	Very low	228 Å²	228	155.8 Å²	155.8	100%	1.123	84%	0.835	S	S	*	*				0	52.3	0	-62.2	-173.5	-178.5	0	0	107
2	D	35.9	Very low	35.2	Very low	150 Å²	150	148.9 Å²	148.9	80%	0.802	83%	0.829	S	S	*	*				85	126.7	76.5	-71	13.3	0	0	0	109.5
3	S	34.9	Very low	35	Very low	116 Å²	116	152.8 Å²	152.8	81%	0.811	84%	0.84	S	S	*	*			cis	-160.6	118	-19.7	-78.7	0	0	0	0	103.6
4	S	37.8	Very low	35	Very low	114 Å²	114	156.3 Å²	156.3	80%	0.797	84%	0.843	S	S	*	*			trans	-125	114.9	171.4	64.6	0	0	0	0	108.4
5	T	39.8	Very low	35.9	Very low	151 Å²	151	153.5 Å²	153.5	93%	0.926	84%	0.837	S	S	*	*			trans	-148.6	137.6	164.5	-22.6	0	0	0	0	112.1
6	S	33.8	Very low	35.4	Very low	89 Å²	89	156.5 Å²	156.5	62%	0.622	84%	0.843	S	S	*	*			trans	-108	178.2	-168.2	-173.3	0	0	0	0	111.3
7	F	32.9	Very low	35.3	Very low	180 Å²	180	161.1 Å²	161.1	79%	0.789	85%	0.846	S	S	*	*			trans	79.9	138.5	166.4	-67.1	-81.1	0	0	0	116.7
8	K	32.2	Very low	35.5	Very low	200 Å²	200	158.6 Å²	158.6	87%	0.87	84%	0.84	S	S	*	*				-168.7	158.8	53.3	-133.3	158.9	-166.4	-177.9	0	113.9
9	V	35.3	Very low	35.3	Very low	118 Å²	118	160.1 Å²	160.1	72%	0.715	84%	0.842	S	S	*	*			trans	-79.1	148.2	177.8	170.7	0	0	0	0	112.3
10	I	34.3	Very low	35.3	Very low	171 Å²	171	160.2 Å²	160.2	88%	0.877	84%	0.842	S	S	*	*			trans	-143.8	129.8	143	-56	-175.6	0	0	0	111.5
11	K	34.8	Very low	35.1	Very low	197 Å²	197	161.9 Å²	161.9	86%	0.857	85%	0.848	S	S	*	*			trans	-94.3	150.6	167	-97.2	176.4	172.6	175.7	0	109.8
12	G	32.8	Very low	34.7	Very low	73 Å²	73	155.9 Å²	155.9	75%	0.753	83%	0.829	S	S	*	*			trans	141.9	138.1	136.6	0	0	0	0	0	118.9
13	M	32.3	Very low	34.4	Very low	199 Å²	199	156.5 Å²	156.5	98%	0.98	83%	0.832	S	S	*	*			trans	105.6	121	150.4	-57.7	-179.2	106.6	0	0	119.8
14	K	34.4	Very low	34.2	Very low	202 Å²	202	154 Å²	154	88%	0.878	82%	0.824	S	S	*	*			trans	-136.9	172.5	160.5	-92.1	-170.5	-178.5	-178	0	105.2
15	P	48.4	Very low	33.9	Very low	115 Å²	115	156.9 Å²	156.9	75%	0.747	83%	0.831	S	S	*	*			cis	-133.5	174.8	-30.4	35.7	-18.1	0	0	0	112.6
16	Q	28.6	Very low	33.6	Very low	201 Å²	201	152.7 Å²	152.7	94%	0.939	82%	0.818	S	S	*	*			trans	-158.1	137.7	154.8	-122.6	166.4	-0.4	0	0	112.9
17	R	33.6	Very low	33.7	Very low	235 Å²	235	155 Å²	155	89%	0.887	83%	0.831	S	S	*	*			trans	-92.1	156.2	168.1	-124.4	-177.5	-169.2	-180	2.8	108
18	P	39.1	Very low	33.7	Very low	116 Å²	116	156 Å²	156	75%	0.753	84%	0.835	S	S	*	*				-156.3	158.8	87	37.1	-15.7	0	0	0	118.6
19	E	32.1	Very low	33.8	Very low	186 Å²	186	158.3 Å²	158.3	87%	0.869	84%	0.838	S	S	*	*			trans	54.9	150.8	138.1	-65.6	-173	148.6	0	0	127.6
20	L	34	Very low	33.6	Very low	162 Å²	162	159.2 Å²	159.2	85%	0.848	84%	0.843	S	S	*	*			trans	-67.4	153.6	-171.3	-86.1	73	0	0	0	115.8
21	M	31	Very low	33.5	Very low	196 Å²	196	156.6 Å²	156.6	97%	0.966	84%	0.838	S	S	*	*			trans	-148.7	143.5	131.9	-82.5	-134.3	121.2	0	0	112.6
22	S	30.7	Very low	33.3	Very low	102 Å²	102	153.7 Å²	153.7	71%	0.713	84%	0.836	S	S	*	*			trans	-77.9	146.9	-179	141.6	0	0	0	0	112.5
23	N	30.2	Very low	33.1	Very low	164 Å²	164	155.8 Å²	155.8	88%	0.877	84%	0.839	S	S	*	*			trans	-167.8	133.4	131.1	-96.8	-15.8	0	0	0	112.1
24	G	29.3	Very low	33.1	Very low	63 Å²	63	154.8 Å²	154.8	65%	0.649	83%	0.831	S	S	*	*			trans	-83.8	161.4	-179.2	0	0	0	0	0	114.2
25	N	31.6	Very low	33	Very low	174 Å²	174	154.3 Å²	154.3	93%	0.93	83%	0.832	S	S	*	*			trans	-168.9	121.7	140.3	-97	-33.6	0	0	0	109
26	G	33.5	Very low	32.1	Very low	63 Å²	63	154.1 Å²	154.1	65%	0.649	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-75.2	164.2	178.9	0	0	0	0	0	113.2
27	P	36.8	Very low	32.1	Very low	138 Å²	138	154.1 Å²	154.1	90%	0.896	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-78.6	126.9	-176.8	28.2	-31	0	0	0	112.7
28	K	33.5	Very low	31.9	Very low	201 Å²	201	147.1 Å²	147.1	87%	0.874	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-77.3	138.2	173.9	-76.1	178.2	175.7	176.4	0	111.6
29	R	33.2	Very low	31.4	Very low	249 Å²	249	149.1 Å²	149.1	94%	0.94	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-71.8	146	167.2	-72.5	-178.7	-171.6	-142	0.3	111.1
30	V	31.7	Very low	31.1	Very low	137 Å²	137	148.9 Å²	148.9	83%	0.83	83%	0.828	S	S	*	*			trans	-133.6	143.5	166.5	-179.9	0	0	0	0	108.1
31	P	32.5	Very low	30.9	Very low	116 Å²	116	151.1 Å²	151.1	75%	0.753	83%	0.83	S	S	*	*			trans	-95.5	164.4	-151.8	36	-32.4	0	0	0	115.2
32	V	29.8	Very low	30.8	Very low	135 Å²	135	147 Å²	147	82%	0.818	82%	0.819	S	S	*	*			trans	-76.5	132.7	172.9	-179.4	0	0	0	0	110.1
33	S	29.7	Very low	30.9	Very low	117 Å²	117	150.3 Å²	150.3	82%	0.818	83%	0.827	S	S	*	*			trans	-124.7	127.3	165.7	44.7	0	0	0	0	110.6
34	H	32.3	Very low	30.8	Very low	178 Å²	178	148.2 Å²	148.2	82%	0.824	82%	0.819	S	S	*	*			trans	-84.1	126.6	168.7	-85	-85	0	0	0	109.5
35	H	30.5	Very low	30.8	Very low	192 Å²	192	150.7 Å²	150.7	89%	0.889	82%	0.822	S	S	*	*			trans	-149	128.2	150.9	-115.9	36.8	0	0	0	112.1
36	S	31.1	Very low	30.6	Very low	112 Å²	112	148.2 Å²	148.2	78%	0.783	82%	0.815	S	S	*	*			trans	-75.4	138.9	172.7	-52.5	0	0	0	0	110.2
37	Q	28.6	Very low	30.3	Very low	201 Å²	201	151.8 Å²	151.8	94%	0.939	83%	0.825	S	S	*	*			trans	-164.7	145.5	146.5	-108.4	170.2	23.8	0	0	110.5
38	A	28.2	Very low	30	Very low	88 Å²	88	153.5 Å²	153.5	73%	0.727	82%	0.821	S	S	*	*			trans	-103.4	162.3	-167.2	0	0	0	0	0	112.6
39	I	28.8	Very low	29.9	Very low	158 Å²	158	153.2 Å²	153.2	81%	0.81	82%	0.822	S	S	*	*			trans	85.6	106.4	158.3	-44	167.9	0	0	0	116.8
40	Q	26.1	Very low	29.4	Very low	181 Å²	181	150.1 Å²	150.1	85%	0.846	82%	0.818	S	S	*	*				-172.2	131.3	103.6	-90.2	-177.3	28.2	0	0	109.5
41	K	30.5	Very low	29.4	Very low	208 Å²	208	152.4 Å²	152.4	90%	0.904	81%	0.812	S	S	*	*			trans	-79.6	129.9	-179.7	-69.7	178.3	176.7	178.8	0	110.4
42	P	28.5	Very low	29	Very low	111 Å²	111	153 Å²	153	72%	0.721	81%	0.813	S	S	*	*			trans	-88.3	127.9	153.1	12.2	4.3	0	0	0	109.6	V44	P42-V44 PolarHBondContact O-N 3.11Å
43	I	33.7	Very low	28.9	Very low	171 Å²	171	154.8 Å²	154.8	88%	0.877	82%	0.817	S	S	*	*			trans	-66.7	115.6	165.6	-69.1	168.6	0	0	0	107
44	V	28	Very low	28.6	Very low	120 Å²	120	152.6 Å²	152.6	73%	0.727	81%	0.813	S	S	*	*			trans	-114.3	115.8	172	179	0	0	0	0	107.9	P42	P42-V44 PolarHBondContact O-N 3.11Å
45	T	29	Very low	28.3	Very low	114 Å²	114	151.7 Å²	151.7	70%	0.699	81%	0.811	S	S	*	*			trans	-54.8	136	167.9	36.1	0	0	0	0	111.1	T47	T45-T47 PolarHBondContact O-N 3.36Å; T45-T47 VanDerWaalsContact O-N 3.15Å
46	P	27.3	Very low	28.3	Very low	122 Å²	122	146.1 Å²	146.1	79%	0.792	79%	0.794	S	S	*	*			trans	-77.7	106.1	-176.2	29.8	-31.2	0	0	0	110.9	Q48	P46-Q48 PolarHBondContact O-N 3.21Å
47	T	26.9	Very low	28.4	Very low	139 Å²	139	146.2 Å²	146.2	85%	0.853	79%	0.786	S	S	*	*			trans	-75.3	105.6	155.9	24.2	0	0	0	0	108.4	T45 H49	T45-T47 PolarHBondContact O-N 3.36Å; T45-T47 VanDerWaalsContact O-N 3.15Å; T47-H49 PolarHBondContact O-N 2.74Å; T47-H49 VanDerWaalsContact O-N 3.15Å
48	Q	30.5	Very low	28.6	Very low	173 Å²	173	137.7 Å²	137.7	81%	0.808	75%	0.752	S	S	*	*			trans	-68.6	103.3	170.6	-77.7	-179.6	-18.8	0	0	109.3	P46	P46-Q48 PolarHBondContact O-N 3.21Å
49	H	30.6	Very low	29	Very low	195 Å²	195	134.2 Å²	134.2	90%	0.903	72%	0.722	S	S	*	*			trans	-168.3	70.4	143.5	-81.7	-49	0	0	0	108.5	T47	T47-H49 PolarHBondContact O-N 2.74Å; T47-H49 VanDerWaalsContact O-N 3.15Å
50	Q	23.6	Very low	29.4	Very low	185 Å²	185	132.5 Å²	132.5	86%	0.864	71%	0.71	S	S	*	*			trans	-109.9	90.2	164.2	-156.8	171.7	10	0	0	106.9	V52	Q50-V52 PolarHBondContact O-N 2.81Å
51	R	32.2	Very low	30.1	Very low	185 Å²	185	133.7 Å²	133.7	70%	0.698	71%	0.707	S	S	*	*			trans	-62.5	106.4	163.7	-83.1	-177.2	178.4	171.3	-2.4	106.3	L53	R51-L53 PolarHBondContact O-N 2.98Å
52	V	23.3	Very low	30.8	Very low	128 Å²	128	127 Å²	127	78%	0.776	68%	0.681	S	S	*	*			trans	-51.5	125.2	162.2	174.2	0	0	0	0	106.4	Q50 G54	Q50-V52 PolarHBondContact O-N 2.81Å; V52-G54 VanDerWaalsContact C-N 3.31Å; V52-G54 PolarHBondContact O-N 3.18Å
53	L	27.3	Very low	30.9	Very low	172 Å²	172	130.1 Å²	130.1	90%	0.901	69%	0.686	S	S	*	*			trans	-51.2	97.8	171.8	-78.1	159	0	0	0	108.6	R51 M55	R51-L53 PolarHBondContact O-N 2.98Å; L53-M55 PolarHBondContact O-N 2.96Å
54	G	24.8	Very low	31.2	Very low	71 Å²	71	131.1 Å²	131.1	73%	0.732	68%	0.678	S	S	*	*			trans	-70.1	116.9	176.9	0	0	0	0	0	108.3	V52 S56	V52-G54 VanDerWaalsContact C-N 3.31Å; V52-G54 PolarHBondContact O-N 3.18Å; G54-S56 PolarHBondContact O-N 3.19Å
55	M	25.5	Very low	31.4	Very low	159 Å²	159	130.8 Å²	130.8	78%	0.783	68%	0.678	S	S	*	*			trans	-41.9	135.5	166.5	-58.1	163.3	75.8	0	0	109.1	L53 N57	L53-M55 PolarHBondContact O-N 2.96Å; M55-N57 PolarHBondContact O-N 3.14Å
56	S	30.1	Very low	31.6	Very low	76 Å²	76	131.3 Å²	131.3	53%	0.531	68%	0.681	S	S	.	*			trans	-62	82.9	167	50.8	0	0	0	0	108.7	G54 G58 K165	G54-S56 PolarHBondContact O-N 3.19Å; S56-G58 PolarHBondContact O-N 3.24Å; S56-K165 PolarHBondContact OG-O 2.92Å
57	N	32.2	Very low	31.8	Very low	113 Å²	113	130.8 Å²	130.8	60%	0.604	68%	0.681	S	S	*	*			trans	-71.1	85.1	168	-77.3	-20.6	0	0	0	106	M55	M55-N57 PolarHBondContact O-N 3.14Å
58	G	33.3	Very low	32	Very low	23 Å²	23	132.7 Å²	132.7	24%	0.237	68%	0.68	C	S	.	*	P	Polyproline II helix	trans	-50.1	147.4	161.3	0	0	0	0	0	108.9	S56 Q60	S56-G58 PolarHBondContact O-N 3.24Å; G58-Q60 PolarHBondContact O-N 3.06Å
59	P	36.9	Very low	32	Very low	14 Å²	14	133.2 Å²	133.2	9%	0.091	68%	0.682	C	S	.	*	P	Polyproline II helix	trans	-51.3	131.4	-158.6	-22.9	29.4	0	0	0	112.2	K167 D280 W301	P59-K167 PolarHBondContact O-NZ 3.23Å; P59-K167 VanDerWaalsContact O-NZ 3.1Å; P59-D280 WeakPolarHBondContact CG-OD2 3.29Å; P59-W301 HydrophobicContact CB-CZ2 4.05Å; P59-W301 VanDerWaalsContact CG-NE1 3.32Å
60	Q	38.2	Very low	31.9	Very low	122 Å²	122	132.9 Å²	132.9	57%	0.57	68%	0.678	S	S	*	*	P	Polyproline II helix	trans	-99.8	146.7	168.9	-71.8	-172.6	-7.7	0	0	109.1	G58 I62	G58-Q60 PolarHBondContact O-N 3.06Å; Q60-I62 PolarHBondContact O-N 3.17Å
61	R	39.7	Very low	32.2	Very low	207 Å²	207	130.1 Å²	130.1	78%	0.781	68%	0.676	S	S	*	*			trans	-61.5	106.5	165.2	-174.9	-176.8	-165	-177.3	4.4	107	Q63	R61-Q63 PolarHBondContact O-N 3.15Å
62	I	44.6	Very low	32.2	Very low	67 Å²	67	127.5 Å²	127.5	34%	0.344	68%	0.681	S	S	.	*	P	Polyproline II helix	trans	-64	121.9	175.1	-59.7	171.5	0	0	0	106.9	Q60 L313 L317 L320	Q60-I62 PolarHBondContact O-N 3.17Å; I62-L313 HydrophobicContact CB-CD2 3.68Å; I62-L313 HydrophobicContact CB-CG 4.38Å; I62-L313 HydrophobicContact CG2-CD2 4.12Å; I62-L317 HydrophobicContact CD1-CB 4.44Å; I62-L320 HydrophobicContact CD1-CD1 3.88Å
63	Q	31.1	Very low	32.7	Very low	177 Å²	177	126.8 Å²	126.8	83%	0.827	68%	0.679	S	S	*	*	P	Polyproline II helix	trans	-77.2	139	175.2	-67.7	-173.2	15.2	0	0	109.1	R61	R61-Q63 PolarHBondContact O-N 3.15Å
64	R	40.5	Very low	32.8	Very low	192 Å²	192	127.5 Å²	127.5	73%	0.725	68%	0.677	S	S	*	*	P	Polyproline II helix	trans	-64.6	139.9	178.8	-67.3	179.7	177.6	179	-2.8	110.2	V66	R64-V66 PolarHBondContact O-N 3.04Å
65	P	32	Very low	33.1	Very low	112 Å²	112	130.1 Å²	130.1	73%	0.727	68%	0.678	S	S	*	*	P	Polyproline II helix	trans	-64.7	117.5	160.4	17.9	-16.4	0	0	0	108.6	S67	P65-S67 PolarHBondContact O-N 2.92Å
66	V	32.7	Very low	33.2	Very low	126 Å²	126	127.9 Å²	127.9	76%	0.764	68%	0.678	S	S	*	*			trans	-77.3	112.3	174.4	-177.8	0	0	0	0	107.3	R64 Q68	R64-V66 PolarHBondContact O-N 3.04Å; V66-Q68 PolarHBondContact O-N 2.9Å
67	S	32.6	Very low	33.2	Very low	111 Å²	111	131 Å²	131	78%	0.776	69%	0.694	S	S	*	*			trans	-65.7	106.6	166.9	-72.5	0	0	0	0	108.5	P65 Q69	P65-S67 PolarHBondContact O-N 2.92Å; S67-Q69 PolarHBondContact O-N 2.75Å; S67-Q69 VanDerWaalsContact O-N 3.1Å
68	Q	29.8	Very low	33	Very low	178 Å²	178	130.2 Å²	130.2	83%	0.832	70%	0.704	S	S	*	*			trans	-70.9	98.4	170.6	-69.5	-176.6	-4.9	0	0	108.8	V66 K70	V66-Q68 PolarHBondContact O-N 2.9Å; Q68-K70 PolarHBondContact O-N 3.4Å
69	Q	31.5	Very low	33	Very low	185 Å²	185	135.1 Å²	135.1	86%	0.864	73%	0.729	S	S	*	*			trans	-76.9	113.4	159.4	-75.9	-178.1	-6.9	0	0	107.9	S67	S67-Q69 PolarHBondContact O-N 2.75Å; S67-Q69 VanDerWaalsContact O-N 3.1Å
70	K	29	Very low	32.5	Very low	188 Å²	188	144.3 Å²	144.3	82%	0.817	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-66.3	137.1	169.4	-82.3	-179.5	174.9	178.5	0	109.5	Q68	Q68-K70 PolarHBondContact O-N 3.4Å
71	P	29.5	Very low	32.1	Very low	126 Å²	126	146.7 Å²	146.7	82%	0.818	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-71.3	135.6	170.6	-8.5	24.1	0	0	0	110.5
72	V	31.9	Very low	32	Very low	131 Å²	131	142.4 Å²	142.4	79%	0.794	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-84.1	134.3	170.4	-163	0	0	0	0	108.1
73	P	34	Very low	32	Very low	113 Å²	113	144.7 Å²	144.7	73%	0.734	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-78	132.7	178.2	30.2	-30.6	0	0	0	111
74	H	29.9	Very low	33	Very low	186 Å²	186	142.1 Å²	142.1	86%	0.861	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-66.9	127.9	167.8	-92.9	-82.6	0	0	0	110.4
75	V	30.2	Very low	32.3	Very low	126 Å²	126	137.3 Å²	137.3	76%	0.764	80%	0.796	S	S	*	*			trans	-120.6	122.6	160.9	-179	0	0	0	0	108	V77	V75-V77 HydrophobicContact CG1-CG2 4.44Å
76	S	26.9	Very low	32.2	Very low	112 Å²	112	138 Å²	138	78%	0.783	79%	0.794	S	S	*	*			trans	-85	129	175.2	-48.9	0	0	0	0	109.9
77	V	29.9	Very low	32.2	Very low	141 Å²	141	139.4 Å²	139.4	86%	0.855	79%	0.792	S	S	*	*			trans	-141	138.4	160.1	-175.8	0	0	0	0	110.2	V75	V75-V77 HydrophobicContact CG1-CG2 4.44Å
78	A	29.2	Very low	32	Very low	98 Å²	98	140.5 Å²	140.5	81%	0.81	79%	0.789	S	S	*	*			trans	-78.8	165.4	-167.6	0	0	0	0	0	115.8
79	V	32.3	Very low	32.1	Very low	126 Å²	126	137.4 Å²	137.4	76%	0.764	78%	0.782	S	S	*	*			trans	-64.5	146.1	-177	176.6	0	0	0	0	114.6
80	K	28.1	Very low	32	Very low	206 Å²	206	135.8 Å²	135.8	90%	0.896	78%	0.779	S	S	*	*			trans	-158.3	123.7	143.6	-108.1	175.5	-176.1	-178.3	0	111.8
81	H	29.2	Very low	32.8	Very low	172 Å²	172	132.2 Å²	132.2	80%	0.796	78%	0.776	S	S	*	*			trans	-87.2	162.3	162.2	-87.7	-61.9	0	0	0	109.6
82	P	38	Very low	32.8	Very low	117 Å²	117	130.9 Å²	130.9	76%	0.76	78%	0.775	S	S	*	*				-153.9	-154.7	62.2	49.3	-25.8	0	0	0	114.9
83	P	43.5	Very low	32.7	Very low	116 Å²	116	130 Å²	130	75%	0.753	77%	0.77	S	S	*	*				-128.3	-145.7	-122.9	33.6	-5.3	0	0	0	113.8
84	P	51.8	Low	32.6	Very low	122 Å²	122	131.7 Å²	131.7	79%	0.792	78%	0.778	S	S	*	*				-125.9	172.1	-74.7	37.2	-20.7	0	0	0	114.8
85	A	26.9	Very low	32.6	Very low	92 Å²	92	131 Å²	131	76%	0.76	77%	0.773	S	S	*	*			trans	161.4	147.3	153.8	0	0	0	0	0	108.8
86	D	29.6	Very low	32.4	Very low	127 Å²	127	133.2 Å²	133.2	68%	0.679	78%	0.779	S	S	*	*			cis	-170.1	150.3	-4.7	-126.3	-6.1	0	0	0	108.1
87	Q	31.8	Very low	32.6	Very low	154 Å²	154	134 Å²	134	72%	0.72	78%	0.779	S	S	*	*			trans	65.9	143.5	148.1	-57.4	173.6	35.5	0	0	119.2
88	N	29.6	Very low	33.2	Very low	135 Å²	135	132.9 Å²	132.9	72%	0.722	78%	0.775	S	S	*	*			cis	-169.3	156.2	16.2	-141.4	-5.1	0	0	0	113.6
89	V	31.3	Very low	33.4	Very low	113 Å²	113	132.5 Å²	132.5	69%	0.685	77%	0.772	S	S	*	*			trans	52.4	123.4	152.7	-152.7	0	0	0	0	124.2
90	N	30.2	Very low	33.5	Very low	150 Å²	150	131.8 Å²	131.8	80%	0.802	77%	0.77	S	S	*	*			trans	-114.3	155.2	150.7	-142.8	4.2	0	0	0	107.5
91	P	44.9	Very low	33.6	Very low	114 Å²	114	130.5 Å²	130.5	74%	0.74	77%	0.767	S	S	*	*				-150.5	166	110.6	37.6	-19.2	0	0	0	112.2
92	A	30.1	Very low	34.1	Very low	97 Å²	97	127.6 Å²	127.6	80%	0.802	76%	0.763	S	S	*	*			cis	-157.2	158.1	29.9	0	0	0	0	0	112.4
93	T	29.6	Very low	33.8	Very low	113 Å²	113	131.1 Å²	131.1	69%	0.693	77%	0.767	S	S	*	*			trans	-76.5	152.3	-179.4	-20.5	0	0	0	0	114.6	K95	T93-K95 HydrophobicContact CG2-CG 4.22Å
94	V	31.5	Very low	33.4	Very low	149 Å²	149	131.9 Å²	131.9	90%	0.903	77%	0.771	S	S	*	*				-145.7	128.8	123.2	-179.3	0	0	0	0	109.6
95	K	29.5	Very low	32.3	Very low	172 Å²	172	132.2 Å²	132.2	75%	0.748	77%	0.771	S	S	*	*			trans	-85.5	157.6	179.1	-74.4	172.4	172.7	176.7	0	111.4	T93	T93-K95 HydrophobicContact CG2-CG 4.22Å
96	L	26.9	Very low	32.5	Very low	172 Å²	172	132.8 Å²	132.8	90%	0.901	77%	0.77	S	S	*	*				-174.1	128.4	124	-93.8	156.8	0	0	0	111
97	T	30.8	Very low	32.6	Very low	128 Å²	128	136.4 Å²	136.4	79%	0.785	78%	0.783	S	S	*	*			trans	-134.2	157.2	163.7	35	0	0	0	0	105
98	P	42	Very low	32.6	Very low	118 Å²	118	137.3 Å²	137.3	77%	0.766	79%	0.786	S	S	*	*				-159.2	156.1	60.6	41.2	-17.5	0	0	0	120.8
99	A	32.9	Very low	32.6	Very low	90 Å²	90	137.9 Å²	137.9	74%	0.744	79%	0.79	S	S	*	*			trans	80.2	171.5	134.3	0	0	0	0	0	120.6
100	P	36	Very low	32.7	Very low	110 Å²	110	139.6 Å²	139.6	71%	0.714	79%	0.79	S	S	*	*				-142.2	179.7	-97.9	40.3	-18.2	0	0	0	116.9
101	Q	30.2	Very low	32.8	Very low	179 Å²	179	138.7 Å²	138.7	84%	0.836	79%	0.792	S	S	*	*			trans	74.7	166.5	157.4	-68.5	-164.7	5.5	0	0	119.6
102	P	38.2	Very low	32.1	Very low	112 Å²	112	141.2 Å²	141.2	73%	0.727	79%	0.792	S	S	*	*			cis	-134.9	178.8	-7.7	18.9	7.4	0	0	0	116
103	K	32.3	Very low	32	Very low	191 Å²	191	143.7 Å²	143.7	83%	0.83	80%	0.797	S	S	*	*			trans	-55.7	171	161.2	-57.4	173.5	177.6	178	0	112.9
104	P	34.5	Very low	32.1	Very low	131 Å²	131	146.1 Å²	146.1	85%	0.851	80%	0.8	S	S	*	*			trans	-126.3	147.9	137.5	29.4	-14.7	0	0	0	114.7
105	V	28.6	Very low	32.3	Very low	129 Å²	129	144.6 Å²	144.6	78%	0.782	79%	0.791	S	S	*	*			trans	-93.5	154.8	172.6	172.2	0	0	0	0	109
106	S	32.1	Very low	33	Very low	105 Å²	105	142.5 Å²	142.5	73%	0.734	80%	0.795	S	S	*	*			trans	-39.2	146.3	171.4	-42.7	0	0	0	0	116.8
107	Q	30.8	Very low	33.3	Very low	203 Å²	203	139 Å²	139	95%	0.949	79%	0.791	S	S	*	*			trans	-167.4	162.6	133.1	-108.1	177.6	25.3	0	0	113.8
108	H	32	Very low	33.2	Very low	172 Å²	172	136.1 Å²	136.1	80%	0.796	79%	0.787	S	S	*	*			trans	-80.9	144.2	-165.7	-148.6	66.2	0	0	0	113.1
109	N	29.6	Very low	32.7	Very low	148 Å²	148	139.2 Å²	139.2	79%	0.791	79%	0.79	S	S	*	*				165	142.8	124.2	-92.1	-16.7	0	0	0	114.3
110	Q	33.4	Very low	32.5	Very low	148 Å²	148	139.6 Å²	139.6	69%	0.692	79%	0.788	S	S	*	*			trans	-68.2	171.6	168.9	-64.6	-179.4	0.5	0	0	112.3
111	P	33.7	Very low	32.2	Very low	132 Å²	132	141.8 Å²	141.8	86%	0.857	79%	0.794	S	S	*	*				-138.5	153.4	105.1	25.8	-7.2	0	0	0	115.6
112	K	29.3	Very low	32.1	Very low	166 Å²	166	137.6 Å²	137.6	72%	0.722	78%	0.784	S	S	*	*			trans	-84.7	149.9	169.2	-66.6	173.6	176.7	177.2	0	110.5
113	T	29	Very low	31.7	Very low	149 Å²	149	139.5 Å²	139.5	91%	0.914	79%	0.794	S	S	*	*			trans	-127	136.5	159.6	41.2	0	0	0	0	110
114	H	30.6	Very low	31.7	Very low	164 Å²	164	139.7 Å²	139.7	76%	0.759	80%	0.795	S	S	*	*			trans	-137.2	136.4	-171.6	-127.7	-44.4	0	0	0	109.5
115	V	35	Very low	32.5	Very low	117 Å²	117	138.5 Å²	138.5	71%	0.709	79%	0.787	S	S	*	*			trans	65.9	159.2	147.5	-100.1	0	0	0	0	121.1
116	P	45.2	Very low	33.2	Very low	128 Å²	128	137.7 Å²	137.7	83%	0.831	78%	0.784	S	S	*	*			cis	-135.9	157.8	37	32.3	-8.3	0	0	0	120.3
117	A	32.7	Very low	33.2	Very low	98 Å²	98	138.1 Å²	138.1	81%	0.81	79%	0.787	S	S	*	*			trans	-98.3	156	159.6	0	0	0	0	0	109.8
118	G	28.3	Very low	33.3	Very low	68 Å²	68	137.2 Å²	137.2	70%	0.701	78%	0.783	S	S	*	*			trans	-142.5	123.5	172.9	0	0	0	0	0	113.2
119	H	31.6	Very low	33.9	Very low	183 Å²	183	134.6 Å²	134.6	85%	0.847	78%	0.781	S	S	*	*			trans	38.1	116.6	143.6	-70.7	-61.3	0	0	0	121.1
120	S	30	Very low	33.9	Very low	99 Å²	99	132 Å²	132	69%	0.692	78%	0.78	S	S	*	*				71.3	116.9	73.4	74.4	0	0	0	0	115.5
121	D	28.9	Very low	33.9	Very low	156 Å²	156	134.7 Å²	134.7	83%	0.834	79%	0.79	S	S	*	*				177.4	168.2	104.3	-151.1	-0.9	0	0	0	112.7
122	S	29.4	Very low	33.8	Very low	91 Å²	91	137.9 Å²	137.9	64%	0.636	79%	0.793	S	S	*	*			trans	-82.7	161	-161.8	-46.1	0	0	0	0	115.4
123	T	29.2	Very low	33.9	Very low	152 Å²	152	139.3 Å²	139.3	93%	0.933	80%	0.803	S	S	*	*				168.6	154.3	125.1	36	0	0	0	0	113.3
124	K	31.5	Very low	34.2	Very low	195 Å²	195	142 Å²	142	85%	0.848	80%	0.801	S	S	*	*			trans	-107.6	-172.2	-170.6	-151.4	-164.9	179.3	-178.3	0	110.5
125	P	52.3	Low	34.5	Very low	105 Å²	105	140 Å²	140	68%	0.682	80%	0.803	S	S	*	*				-100	-171.6	-114.5	44.9	-26.8	0	0	0	114.1
126	P	43.4	Very low	34.4	Very low	112 Å²	112	143.2 Å²	143.2	73%	0.727	81%	0.81	S	S	*	*				-156.7	172.7	82.6	38.1	-15.5	0	0	0	118.3
127	S	30.5	Very low	33.9	Very low	114 Å²	114	143.5 Å²	143.5	80%	0.797	81%	0.81	S	S	*	*			trans	77.3	120.5	144.4	52	0	0	0	0	123.6
128	E	34.9	Very low	34.1	Very low	184 Å²	184	148.6 Å²	148.6	86%	0.86	81%	0.814	S	S	*	*			trans	-45.3	167.8	153.3	-100.3	-175.6	172.9	0	0	115.1
129	P	42.7	Very low	34.6	Very low	118 Å²	118	151 Å²	151	77%	0.766	82%	0.817	S	S	*	*			cis	-150.1	176.1	43.9	39.2	-16.5	0	0	0	119.4
130	A	31.5	Very low	34.8	Very low	93 Å²	93	146.6 Å²	146.6	77%	0.769	81%	0.813	S	S	*	*			trans	113.8	105.2	139.5	0	0	0	0	0	119.9
131	K	31.5	Very low	35.1	Very low	204 Å²	204	151.7 Å²	151.7	89%	0.887	82%	0.822	S	S	*	*			trans	-14	141.8	152.3	-63.2	173.7	176.5	-178.3	0	119.2
132	Q	32.5	Very low	35.5	Very low	200 Å²	200	150.5 Å²	150.5	94%	0.935	82%	0.82	S	S	*	*			trans	-156.2	123.4	130.8	-106.5	173.1	16.6	0	0	111.3
133	E	32.3	Very low	36	Very low	196 Å²	196	151.3 Å²	151.3	92%	0.916	83%	0.826	S	S	*	*			trans	-80.9	142.9	173.9	-76.7	174.1	124.2	0	0	111.8
134	K	34.1	Very low	36.5	Very low	205 Å²	205	153 Å²	153	89%	0.891	82%	0.823	S	S	*	*			trans	-148.9	142.6	148.5	-107.1	179.1	-175.9	179	0	110.6
135	P	36.5	Very low	37	Very low	121 Å²	121	147.9 Å²	147.9	79%	0.786	82%	0.818	S	S	*	*			trans	-95	132.1	-165.5	34.7	-30.5	0	0	0	112.4
136	Q	33.5	Very low	36.6	Very low	186 Å²	186	148.1 Å²	148.1	87%	0.869	82%	0.822	S	S	*	*			trans	-138.2	105.9	165	-77.4	-173.8	-9.7	0	0	111.5
137	T	34.4	Very low	36.8	Very low	134 Å²	134	147.6 Å²	147.6	82%	0.822	82%	0.821	S	S	*	*			trans	15.7	110.1	143	41.1	0	0	0	0	117.7	P139	T137-P139 WeakPolarHBondContact O-CD 3.27Å
138	K	38	Very low	37.8	Very low	204 Å²	204	147.3 Å²	147.3	89%	0.887	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-64.7	124.2	165.3	-69.1	178.5	178.8	176.6	0	110.4
139	P	37.2	Very low	39.4	Very low	118 Å²	118	147.7 Å²	147.7	77%	0.766	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-76.3	131.6	157.1	10.5	4.4	0	0	0	108.6	T137 K141	T137-P139 WeakPolarHBondContact O-CD 3.27Å; P139-K141 PolarHBondContact O-N 3.38Å
140	A	36.3	Very low	40.9	Very low	92 Å²	92	151.1 Å²	151.1	76%	0.76	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-54.8	121.2	173.2	0	0	0	0	0	110	T142	A140-T142 VanDerWaalsContact C-N 3.32Å; A140-T142 PolarHBondContact O-N 2.97Å
141	K	36.8	Very low	43.6	Very low	206 Å²	206	152.1 Å²	152.1	90%	0.896	82%	0.819	S	S	*	*			trans	-69.1	93.4	165.4	-73.7	-177.4	178.1	-178.7	0	107.5	P139 S143	P139-K141 PolarHBondContact O-N 3.38Å; K141-S143 PolarHBondContact O-N 2.92Å
142	T	36.4	Very low	46.7	Very low	130 Å²	130	147.9 Å²	147.9	80%	0.798	80%	0.798	S	S	*	*			trans	-63.8	94.3	155.4	13.9	0	0	0	0	106.6	A140 Q144	A140-T142 VanDerWaalsContact C-N 3.32Å; A140-T142 PolarHBondContact O-N 2.97Å; T142-Q144 PolarHBondContact O-N 3.04Å
143	S	40	Very low	49.7	Very low	108 Å²	108	139.8 Å²	139.8	76%	0.755	76%	0.763	S	S	*	*			trans	-61.5	93.5	162.2	52.6	0	0	0	0	107.1	K141 A145	K141-S143 PolarHBondContact O-N 2.92Å; S143-A145 PolarHBondContact O-N 2.78Å
144	Q	40.1	Very low	52.7	Low	187 Å²	187	133.4 Å²	133.4	87%	0.874	74%	0.735	S	S	*	*			trans	-60.7	94.4	157.8	-80.3	-175.5	-12.1	0	0	106	T142 S146	T142-Q144 PolarHBondContact O-N 3.04Å; Q144-S146 VanDerWaalsContact C-N 3.32Å; Q144-S146 PolarHBondContact O-N 2.83Å
145	A	41.9	Very low	55.7	Low	89 Å²	89	130.2 Å²	130.2	74%	0.736	72%	0.724	S	S	*	*			trans	-57.7	104.3	163.9	0	0	0	0	0	105.8	S143 S147	S143-A145 PolarHBondContact O-N 2.78Å; A145-S147 VanDerWaalsContact C-N 3.32Å; A145-S147 PolarHBondContact O-N 2.81Å
146	S	43.6	Very low	58.6	Low	109 Å²	109	125.9 Å²	125.9	76%	0.762	69%	0.694	S	S	*	*			trans	-54.8	104.4	163.7	54.8	0	0	0	0	105.8	Q144 S148	Q144-S146 VanDerWaalsContact C-N 3.32Å; Q144-S146 PolarHBondContact O-N 2.83Å; S146-S148 VanDerWaalsContact C-N 3.25Å; S146-S148 PolarHBondContact O-N 2.61Å
147	S	47.6	Very low	61.7	Low	102 Å²	102	117.6 Å²	117.6	71%	0.713	66%	0.655	S	S	*	*			trans	-64.1	95.5	175.4	55.1	0	0	0	0	106.7	A145 K149	A145-S147 VanDerWaalsContact C-N 3.32Å; A145-S147 PolarHBondContact O-N 2.81Å; S147-K149 VanDerWaalsContact C-N 3.28Å; S147-K149 PolarHBondContact O-N 3.06Å
148	S	52.5	Low	64.7	Low	108 Å²	108	113.5 Å²	113.5	76%	0.755	63%	0.628	S	S	*	*			trans	-59	99.5	169.9	56.4	0	0	0	0	105.7	S146 K150	S146-S148 VanDerWaalsContact C-N 3.25Å; S146-S148 PolarHBondContact O-N 2.61Å; S148-K150 PolarHBondContact O-N 2.93Å
149	K	67.4	Low	67.6	Low	192 Å²	192	107.6 Å²	107.6	84%	0.835	61%	0.605	S	S	*	*	P	Polyproline II helix	trans	-53.8	119.7	177.7	-71.3	-176	179.5	179.8	0	106.4	S147	S147-K149 VanDerWaalsContact C-N 3.28Å; S147-K149 PolarHBondContact O-N 3.06Å
150	K	74.9	Confident	70.5	Confident	190 Å²	190	103.9 Å²	103.9	83%	0.826	59%	0.589	S	S	*	*	P	Polyproline II helix	trans	-53.6	139.3	177.5	-74.5	-176.5	177.2	-178.3	0	108.7	S148	S148-K150 PolarHBondContact O-N 2.93Å
151	P	89.1	Confident	73.4	Confident	114 Å²	114	106.4 Å²	106.4	74%	0.74	58%	0.579	S	S	*	*	P	Polyproline II helix	trans	-61.5	143.4	176.3	26.6	-33.4	0	0	0	109.7
152	W	94.6	Very high	76.2	Confident	114 Å²	114	100.7 Å²	100.7	43%	0.432	56%	0.563	S	S	.	*	P	Polyproline II helix	trans	-62.1	140.9	176	-66.7	112.8	0	0	0	111.1	N156 F157 E176 F224 I233	W152-N156 HydrophobicContact CE3-CB 4.04Å; W152-N156 HydrophobicContact CZ3-CB 4.21Å; W152-F157 HydrophobicContact CD2-CZ 4.11Å; W152-F157 HydrophobicContact CE3-CE1 4.45Å; W152-F157 HydrophobicContact CE3-CE2 4.02Å; W152-F157 AromaticContact CE3-CZ 3.54Å; W152-F157 HydrophobicContact CE3-CZ 3.54Å; W152-F157 HydrophobicContact CZ3-CE1 4.43Å; W152-F157 AromaticContact CZ3-CZ 3.93Å; W152-F157 HydrophobicContact CZ3-CZ 3.93Å; W152-E176 HydrophobicContact CH2-CG 3.96Å; W152-E176 HydrophobicContact CZ3-CG 3.75Å; W152-F224 HydrophobicContact CB-CB 4.03Å; W152-F224 HydrophobicContact CB-CD1 3.67Å; W152-F224 HydrophobicContact CB-CE1 4.38Å; W152-F224 HydrophobicContact CB-CG 4.02Å; W152-F224 VanDerWaalsContact O-CB 3.25Å; W152-F224 WeakPolarHBondContact O-CB 3.34Å; W152-I233 HydrophobicContact CB-CD1 4.16Å; W152-I233 HydrophobicContact CD2-CD1 3.96Å; W152-I233 HydrophobicContact CG-CD1 3.69Å
153	S	96.4	Very high	79	Confident	30 Å²	30	97.2 Å²	97.2	21%	0.21	54%	0.539	C	S	.	.			trans	-138.2	167.2	172.3	85.1	0	0	0	0	109.8	E155 N156 F157	S153-E155 PolarHBondContact O-N 3.44Å; S153-E155 WeakPolarHBondContact OG-CG 3.4Å; S153-E155 PolarHBondContact OG-N 3.1Å; S153-E155 PolarHBondContact OG-OE1 3.2Å; S153-N156 PolarHBondContact N-OD1 3.49Å; S153-N156 WeakPolarHBondContact O-CB 3.43Å; S153-N156 PolarHBondContact O-N 2.71Å; S153-N156 PolarHBondContact O-OD1 3.13Å; S153-F157 VanDerWaalsContact O-CD2 3.3Å; S153-F157 WeakPolarHBondContact O-CD2 3.4Å; S153-F157 WeakPolarHBondContact O-CE2 3.14Å
154	L	96.4	Very high	81.3	Confident	63 Å²	63	93.3 Å²	93.3	33%	0.33	52%	0.516	S	S	.	.	G	3₁₀ helix	trans	-62.7	-25.7	-179.9	-170.4	62.1	0	0	0	112.4	N156 F157 I159 L185 F224 Y231	L154-N156 PolarHBondContact O-N 3.23Å; L154-F157 PolarHBondContact O-N 2.94Å; L154-I159 HydrophobicContact CD1-CD1 3.96Å; L154-I159 HydrophobicContact CD1-CG1 4.29Å; L154-L185 HydrophobicContact CD1-CD2 3.99Å; L154-F224 HydrophobicContact CB-CE2 4.21Å; L154-F224 HydrophobicContact CD1-CZ 4.49Å; L154-Y231 HydrophobicContact CD1-CD1 4.37Å; L154-Y231 HydrophobicContact CD1-CE1 3.84Å
155	E	96.6	Very high	83.5	Confident	138 Å²	138	91.9 Å²	91.9	65%	0.645	51%	0.507	S	S	*	.	G	3₁₀ helix	trans	-68.5	-14.5	-179	88.9	-152.2	133.9	0	0	113.4	S153 F157 R177	S153-E155 PolarHBondContact O-N 3.44Å; S153-E155 WeakPolarHBondContact OG-CG 3.4Å; S153-E155 PolarHBondContact OG-N 3.1Å; S153-E155 PolarHBondContact OG-OE1 3.2Å; E155-F157 VanDerWaalsContact C-N 3.27Å; E155-R177 WeakPolarHBondContact O-CD 3.25Å; E155-R177 PolarHBondContact O-NH1 3.07Å; E155-R177 VanDerWaalsContact O-NH1 3.15Å
156	N	97.1	Very high	85.4	Confident	30 Å²	30	89.3 Å²	89.3	16%	0.16	49%	0.488	C	S	.	.	G	3₁₀ helix	trans	-81.5	-4.8	177.2	-50.8	136.4	0	0	0	112.7	W152 S153 L154 R177	W152-N156 HydrophobicContact CE3-CB 4.04Å; W152-N156 HydrophobicContact CZ3-CB 4.21Å; S153-N156 PolarHBondContact N-OD1 3.49Å; S153-N156 WeakPolarHBondContact O-CB 3.43Å; S153-N156 PolarHBondContact O-N 2.71Å; S153-N156 PolarHBondContact O-OD1 3.13Å; L154-N156 PolarHBondContact O-N 3.23Å; N156-R177 WeakPolarHBondContact O-CB 3.25Å; N156-R177 WeakPolarHBondContact O-CG 3.46Å; N156-R177 PolarHBondContact O-N 3.15Å
157	F	98.1	Very high	87.2	Confident	11 Å²	11	88.7 Å²	88.7	5%	0.048	47%	0.472	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	133.2	-173.4	-55	-82.1	0	0	0	112.1	W152 S153 L154 E155 I159 R175 E176 L183 F224 I233	W152-F157 HydrophobicContact CD2-CZ 4.11Å; W152-F157 HydrophobicContact CE3-CE1 4.45Å; W152-F157 HydrophobicContact CE3-CE2 4.02Å; W152-F157 AromaticContact CE3-CZ 3.54Å; W152-F157 HydrophobicContact CE3-CZ 3.54Å; W152-F157 HydrophobicContact CZ3-CE1 4.43Å; W152-F157 AromaticContact CZ3-CZ 3.93Å; W152-F157 HydrophobicContact CZ3-CZ 3.93Å; S153-F157 VanDerWaalsContact O-CD2 3.3Å; S153-F157 WeakPolarHBondContact O-CD2 3.4Å; S153-F157 WeakPolarHBondContact O-CE2 3.14Å; L154-F157 PolarHBondContact O-N 2.94Å; E155-F157 VanDerWaalsContact C-N 3.27Å; F157-I159 HydrophobicContact CB-CD1 3.91Å; F157-R175 CarbonylContact C-O 3.59Å; F157-R175 WeakPolarHBondContact CA-O 3.48Å; F157-E176 HydrophobicContact CD1-CB 4.16Å; F157-E176 HydrophobicContact CD1-CG 4.4Å; F157-E176 HydrophobicContact CE1-CB 4.05Å; F157-E176 HydrophobicContact CE1-CG 3.99Å; F157-L183 HydrophobicContact CD1-CD1 4.3Å; F157-L183 HydrophobicContact CD1-CD2 3.95Å; F157-L183 HydrophobicContact CE1-CD1 4.41Å; F157-L183 HydrophobicContact CE1-CD2 3.66Å; F157-F224 HydrophobicContact CD2-CE1 4.21Å; F157-F224 HydrophobicContact CD2-CZ 4.15Å; F157-F224 HydrophobicContact CE2-CD1 4.46Å; F157-F224 AromaticContact CE2-CE1 3.58Å; F157-F224 HydrophobicContact CE2-CE1 3.58Å; F157-F224 AromaticContact CE2-CZ 3.95Å; F157-F224 HydrophobicContact CE2-CZ 3.95Å; F157-F224 HydrophobicContact CZ-CE1 4.32Å; F157-I233 HydrophobicContact CE1-CG2 4.42Å; F157-I233 HydrophobicContact CE2-CD1 4.42Å; F157-I233 HydrophobicContact CZ-CD1 3.73Å; F157-I233 HydrophobicContact CZ-CG1 4.17Å
158	D	98.3	Very high	89.1	Confident	49 Å²	49	85.6 Å²	85.6	26%	0.262	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	118.3	162.1	-57.3	-37.7	0	0	0	107.7	A174 R175 R177	D158-A174 VanDerWaalsContact O-CA 3.31Å; D158-A174 WeakPolarHBondContact O-CA 3.39Å; D158-R175 HydrophobicContact CB-CB 4.39Å; D158-R175 PolarHBondContact N-O 3.32Å; D158-R175 PolarHBondContact O-N 3.19Å; D158-R175 IonicContact OD2-CZ 3.88Å; D158-R175 IonicContact OD2-NE 3.31Å; D158-R175 PolarHBondContact OD2-NE 3.25Å; D158-R175 IonicContact OD2-NH2 2.7Å; D158-R175 PolarHBondContact OD2-NH2 3.1Å; D158-R177 WeakPolarHBondContact OD1-CD 3.48Å; D158-R177 WeakPolarHBondContact OD1-CG 3.37Å; D158-R177 IonicContact OD1-NE 2.81Å; D158-R177 PolarHBondContact OD1-NE 3.08Å; D158-R177 VanDerWaalsContact OD1-NE 3.08Å
159	I	98.1	Very high	90.9	Very high	79 Å²	79	81 Å²	81	41%	0.405	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	124.2	-178.7	-50.1	-55.2	0	0	0	109.9	L154 F157 Y172 A174 L185	L154-I159 HydrophobicContact CD1-CD1 3.96Å; L154-I159 HydrophobicContact CD1-CG1 4.29Å; F157-I159 HydrophobicContact CB-CD1 3.91Å; I159-Y172 HydrophobicContact CG2-CD1 3.99Å; I159-Y172 HydrophobicContact CG2-CG 3.95Å; I159-A174 HydrophobicContact CD1-CB 4.17Å; I159-L185 HydrophobicContact CD1-CD2 3.56Å
160	G	97.7	Very high	92.2	Very high	41 Å²	41	74 Å²	74	42%	0.423	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	-150.9	178	0	0	0	0	0	113.2	L173	G160-L173 VanDerWaalsContact CA-O 3.32Å; G160-L173 WeakPolarHBondContact CA-O 3.38Å; G160-L173 PolarHBondContact N-O 2.89Å
161	R	97.4	Very high	93.2	Very high	145 Å²	145	66.4 Å²	66.4	55%	0.547	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	150.8	-177.6	69.7	-177.2	-179.5	103.2	-0.6	112.4	L173	R161-L173 HydrophobicContact CG-CB 4.27Å; R161-L173 HydrophobicContact CG-CD2 4.4Å; R161-L173 PolarHBondContact O-N 2.78Å
162	P	96.9	Very high	93.6	Very high	86 Å²	86	64.1 Å²	64.1	56%	0.558	33%	0.333	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61.9	138.8	166.9	27.9	-34.2	0	0	0	110.4	Y172	P162-Y172 HydrophobicContact CB-CD1 4.32Å; P162-Y172 HydrophobicContact CB-CE1 4.26Å
163	L	94.1	Very high	93.8	Very high	57 Å²	57	60.4 Å²	60.4	30%	0.298	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	-33	175.3	-66.4	176.4	0	0	0	111.8	V171 L173 A184 Y236	L163-V171 HydrophobicContact CB-CB 4.47Å; L163-V171 HydrophobicContact CB-CG1 4.34Å; L163-V171 HydrophobicContact CD1-CG1 4.4Å; L163-V171 PolarHBondContact N-O 3.29Å; L163-L173 HydrophobicContact CD1-CB 4.11Å; L163-L173 HydrophobicContact CD1-CD1 4.49Å; L163-L173 HydrophobicContact CD2-CB 4.06Å; L163-L173 HydrophobicContact CG-CB 4.04Å; L163-A184 HydrophobicContact CD1-CB 4.05Å; L163-Y236 HydrophobicContact CD1-CD2 3.69Å; L163-Y236 HydrophobicContact CD1-CE2 3.64Å; L163-Y236 HydrophobicContact CD2-CE2 3.76Å; L163-Y236 HydrophobicContact CG-CE2 4.37Å
164	G	89	Confident	93.9	Very high	26 Å²	26	59.1 Å²	59.1	27%	0.268	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-171.1	165	-178.9	0	0	0	0	0	112.5	V171	G164-V171 PolarHBondContact N-O 2.87Å; G164-V171 PolarHBondContact O-N 3.39Å
165	K	86.4	Confident	94	Very high	157 Å²	157	61 Å²	61	68%	0.683	32%	0.315	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.1	117.1	177	-177.8	173	-177.9	-176.8	0	109.2	S56	S56-K165 PolarHBondContact OG-O 2.92Å
166	G	81.3	Confident	94.1	Very high	34 Å²	34	54.7 Å²	54.7	35%	0.351	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	175.4	172.1	0	0	0	0	0	112.1	F168 G169	G166-F168 VanDerWaalsContact C-N 3.33Å; G166-F168 PolarHBondContact O-N 2.8Å; G166-G169 CarbonylContact C-O 3.55Å; G166-G169 VanDerWaalsContact CA-O 3.3Å; G166-G169 WeakPolarHBondContact CA-O 3.28Å; G166-G169 PolarHBondContact N-O 2.82Å
167	K	81.5	Confident	94.1	Very high	97 Å²	97	59.4 Å²	59.4	42%	0.422	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-36.9	-179.1	-176.2	173.9	179.3	178.4	0	113.8	P59	P59-K167 PolarHBondContact O-NZ 3.23Å; P59-K167 VanDerWaalsContact O-NZ 3.1Å
168	F	87.2	Confident	94	Very high	37 Å²	37	66.5 Å²	66.5	16%	0.162	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.9	11.1	-173.3	-54.7	-70.3	0	0	0	113.5	G166 L188 F189 Q192 L193 A196 V198	G166-F168 VanDerWaalsContact C-N 3.33Å; G166-F168 PolarHBondContact O-N 2.8Å; F168-L188 HydrophobicContact CB-CD2 3.93Å; F168-L188 WeakPolarHBondContact O-CA 3.45Å; F168-F189 WeakPolarHBondContact O-CD2 3.41Å; F168-F189 PolarHBondContact O-N 2.69Å; F168-Q192 HydrophobicContact CD1-CB 4.16Å; F168-Q192 PolarHBondContact O-OE1 2.8Å; F168-L193 HydrophobicContact CB-CD2 3.97Å; F168-L193 HydrophobicContact CD1-CD2 4.09Å; F168-L193 HydrophobicContact CD2-CD2 3.9Å; F168-L193 HydrophobicContact CE2-CD2 4.41Å; F168-L193 HydrophobicContact CG-CD2 3.72Å; F168-A196 HydrophobicContact CE1-CB 3.67Å; F168-A196 HydrophobicContact CZ-CB 4.11Å; F168-V198 HydrophobicContact CE1-CG2 4Å; F168-V198 HydrophobicContact CE2-CG2 3.93Å; F168-V198 HydrophobicContact CZ-CG1 4.4Å; F168-V198 HydrophobicContact CZ-CG2 3.56Å
169	G	90.7	Very high	93.9	Very high	10 Å²	10	69 Å²	69	10%	0.103	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	154.3	-161.9	179	0	0	0	0	0	113.1	G166 V187	G166-G169 CarbonylContact C-O 3.55Å; G166-G169 VanDerWaalsContact CA-O 3.3Å; G166-G169 WeakPolarHBondContact CA-O 3.28Å; G166-G169 PolarHBondContact N-O 2.82Å; G169-V187 CarbonylContact C-O 3.56Å; G169-V187 VanDerWaalsContact CA-O 3.25Å; G169-V187 WeakPolarHBondContact CA-O 3.35Å
170	N	94.8	Very high	93.9	Very high	45 Å²	45	70.6 Å²	70.6	24%	0.241	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	156.5	-170.3	-62.4	-36.4	0	0	0	111.2	Y172 V187	N170-Y172 HydrophobicContact CB-CD2 4.27Å; N170-Y172 HydrophobicContact CB-CE2 3.47Å; N170-Y172 VanDerWaalsContact CB-CE2 3.47Å; N170-Y172 PolarHBondContact ND2-OH 2.85Å; N170-V187 PolarHBondContact N-O 3.26Å; N170-V187 PolarHBondContact O-N 3.02Å
171	V	96	Very high	93.9	Very high	32 Å²	32	73.4 Å²	73.4	19%	0.194	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	131.3	170.7	-171.4	0	0	0	0	108.3	L163 G164 A184 L185 K186	L163-V171 HydrophobicContact CB-CB 4.47Å; L163-V171 HydrophobicContact CB-CG1 4.34Å; L163-V171 HydrophobicContact CD1-CG1 4.4Å; L163-V171 PolarHBondContact N-O 3.29Å; G164-V171 PolarHBondContact N-O 2.87Å; G164-V171 PolarHBondContact O-N 3.39Å; V171-A184 HydrophobicContact CG1-CB 4Å; V171-L185 WeakPolarHBondContact CA-O 3.24Å; V171-K186 HydrophobicContact CG2-CB 4.09Å; V171-K186 HydrophobicContact CG2-CG 4.08Å
172	Y	98.1	Very high	93.9	Very high	65 Å²	65	70.2 Å²	70.2	26%	0.255	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	145	-179.9	-62.4	-91.4	0	0	0	110.8	I159 P162 N170 A174 A184 L185 V187	I159-Y172 HydrophobicContact CG2-CD1 3.99Å; I159-Y172 HydrophobicContact CG2-CG 3.95Å; P162-Y172 HydrophobicContact CB-CD1 4.32Å; P162-Y172 HydrophobicContact CB-CE1 4.26Å; N170-Y172 HydrophobicContact CB-CD2 4.27Å; N170-Y172 HydrophobicContact CB-CE2 3.47Å; N170-Y172 VanDerWaalsContact CB-CE2 3.47Å; N170-Y172 PolarHBondContact ND2-OH 2.85Å; Y172-A174 PolarHBondContact O-N 3.23Å; Y172-A184 CarbonylContact O-C 3.51Å; Y172-A184 WeakPolarHBondContact O-CA 3.37Å; Y172-L185 PolarHBondContact N-O 3.34Å; Y172-L185 PolarHBondContact O-N 3.5Å; Y172-V187 HydrophobicContact CD2-CG2 3.86Å; Y172-V187 HydrophobicContact CE2-CB 4.45Å; Y172-V187 HydrophobicContact CE2-CG2 3.97Å
173	L	98.3	Very high	94	Very high	37 Å²	37	66.3 Å²	66.3	19%	0.194	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	133.1	161.4	-177.1	64	0	0	0	107	G160 R161 L163 I182 Y236	G160-L173 VanDerWaalsContact CA-O 3.32Å; G160-L173 WeakPolarHBondContact CA-O 3.38Å; G160-L173 PolarHBondContact N-O 2.89Å; R161-L173 HydrophobicContact CG-CB 4.27Å; R161-L173 HydrophobicContact CG-CD2 4.4Å; R161-L173 PolarHBondContact O-N 2.78Å; L163-L173 HydrophobicContact CD1-CB 4.11Å; L163-L173 HydrophobicContact CD1-CD1 4.49Å; L163-L173 HydrophobicContact CD2-CB 4.06Å; L163-L173 HydrophobicContact CG-CB 4.04Å; L173-I182 HydrophobicContact CD1-CG2 3.59Å; L173-Y236 HydrophobicContact CD1-CD1 4.03Å; L173-Y236 HydrophobicContact CD1-CD2 3.87Å; L173-Y236 HydrophobicContact CD1-CE1 3.93Å; L173-Y236 HydrophobicContact CD1-CE2 3.8Å; L173-Y236 HydrophobicContact CD1-CG 3.99Å
174	A	98.5	Very high	94.2	Very high	2 Å²	2	63.9 Å²	63.9	2%	0.017	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	160	177.9	0	0	0	0	0	110.8	D158 I159 Y172 L183 L185	D158-A174 VanDerWaalsContact O-CA 3.31Å; D158-A174 WeakPolarHBondContact O-CA 3.39Å; I159-A174 HydrophobicContact CD1-CB 4.17Å; Y172-A174 PolarHBondContact O-N 3.23Å; A174-L183 HydrophobicContact CB-CD1 3.57Å; A174-L183 HydrophobicContact CB-CG 4.23Å; A174-L183 PolarHBondContact N-O 2.84Å; A174-L183 PolarHBondContact O-N 3.36Å; A174-L183 VanDerWaalsContact O-O 3.1Å; A174-L185 HydrophobicContact CB-CB 3.99Å
175	R	98.4	Very high	94.6	Very high	102 Å²	102	62.7 Å²	62.7	39%	0.385	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	124.1	173.5	-177.1	177.3	65.4	-172.1	-2.9	109.4	F157 D158 R177 K180 F181 I182	F157-R175 CarbonylContact C-O 3.59Å; F157-R175 WeakPolarHBondContact CA-O 3.48Å; D158-R175 HydrophobicContact CB-CB 4.39Å; D158-R175 PolarHBondContact N-O 3.32Å; D158-R175 PolarHBondContact O-N 3.19Å; D158-R175 IonicContact OD2-CZ 3.88Å; D158-R175 IonicContact OD2-NE 3.31Å; D158-R175 PolarHBondContact OD2-NE 3.25Å; D158-R175 IonicContact OD2-NH2 2.7Å; D158-R175 PolarHBondContact OD2-NH2 3.1Å; R175-R177 PolarHBondContact O-N 3.2Å; R175-K180 HydrophobicContact CG-CB 4.4Å; R175-K180 WeakPolarHBondContact CG-O 3.39Å; R175-F181 WeakPolarHBondContact CA-O 3.21Å; R175-I182 HydrophobicContact CB-CD1 3.88Å; R175-I182 HydrophobicContact CG-CD1 3.87Å
176	E	97.9	Very high	95.1	Very high	7 Å²	7	56.8 Å²	56.8	3%	0.033	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	129.5	172.2	-166.6	-74.5	125.1	0	0	109.3	W152 F157 Q178 T179 K180 F181 L183	W152-E176 HydrophobicContact CH2-CG 3.96Å; W152-E176 HydrophobicContact CZ3-CG 3.75Å; F157-E176 HydrophobicContact CD1-CB 4.16Å; F157-E176 HydrophobicContact CD1-CG 4.4Å; F157-E176 HydrophobicContact CE1-CB 4.05Å; F157-E176 HydrophobicContact CE1-CG 3.99Å; E176-Q178 VanDerWaalsContact CD-N 3.34Å; E176-Q178 PolarHBondContact O-N 3.33Å; E176-Q178 WeakPolarHBondContact OE1-CB 3.14Å; E176-Q178 WeakPolarHBondContact OE1-CG 3.32Å; E176-Q178 PolarHBondContact OE1-N 3.37Å; E176-Q178 PolarHBondContact OE2-N 3.23Å; E176-T179 WeakPolarHBondContact OE2-CA 3.43Å; E176-T179 VanDerWaalsContact OE2-CB 3.26Å; E176-T179 WeakPolarHBondContact OE2-CB 3.3Å; E176-T179 WeakPolarHBondContact OE2-CG2 3.4Å; E176-T179 PolarHBondContact OE2-N 3.18Å; E176-T179 PolarHBondContact OE2-OG1 2.98Å; E176-K180 WeakPolarHBondContact O-CA 3.41Å; E176-K180 PolarHBondContact O-N 3.17Å; E176-F181 PolarHBondContact N-O 2.84Å; E176-L183 HydrophobicContact CB-CD2 4.11Å
177	R	97.3	Very high	95.9	Very high	128 Å²	128	55.7 Å²	55.7	48%	0.483	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-30.7	-164.1	-71.5	176.7	96.7	-149.5	-2	113.5	E155 N156 D158 R175 K180	E155-R177 WeakPolarHBondContact O-CD 3.25Å; E155-R177 PolarHBondContact O-NH1 3.07Å; E155-R177 VanDerWaalsContact O-NH1 3.15Å; N156-R177 WeakPolarHBondContact O-CB 3.25Å; N156-R177 WeakPolarHBondContact O-CG 3.46Å; N156-R177 PolarHBondContact O-N 3.15Å; D158-R177 WeakPolarHBondContact OD1-CD 3.48Å; D158-R177 WeakPolarHBondContact OD1-CG 3.37Å; D158-R177 IonicContact OD1-NE 2.81Å; D158-R177 PolarHBondContact OD1-NE 3.08Å; D158-R177 VanDerWaalsContact OD1-NE 3.08Å; R175-R177 PolarHBondContact O-N 3.2Å; R177-K180 WeakPolarHBondContact O-CD 3.3Å; R177-K180 VanDerWaalsContact O-CE 3.28Å; R177-K180 WeakPolarHBondContact O-CE 3.02Å; R177-K180 PolarHBondContact O-NZ 3.2Å
178	Q	95.8	Very high	96.5	Very high	160 Å²	160	51.5 Å²	51.5	75%	0.748	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-56.3	-177.2	-60.1	-179.9	16.6	0	0	111.5	E176	E176-Q178 VanDerWaalsContact CD-N 3.34Å; E176-Q178 PolarHBondContact O-N 3.33Å; E176-Q178 WeakPolarHBondContact OE1-CB 3.14Å; E176-Q178 WeakPolarHBondContact OE1-CG 3.32Å; E176-Q178 PolarHBondContact OE1-N 3.37Å; E176-Q178 PolarHBondContact OE2-N 3.23Å
179	T	96.9	Very high	96.9	Very high	101 Å²	101	53.6 Å²	53.6	62%	0.62	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-13.4	-175.5	63.9	0	0	0	0	113.3	E176 F181	E176-T179 WeakPolarHBondContact OE2-CA 3.43Å; E176-T179 VanDerWaalsContact OE2-CB 3.26Å; E176-T179 WeakPolarHBondContact OE2-CB 3.3Å; E176-T179 WeakPolarHBondContact OE2-CG2 3.4Å; E176-T179 PolarHBondContact OE2-N 3.18Å; E176-T179 PolarHBondContact OE2-OG1 2.98Å; T179-F181 PolarHBondContact O-N 3Å; T179-F181 VanDerWaalsContact OG1-CB 3.26Å; T179-F181 WeakPolarHBondContact OG1-CB 3.5Å; T179-F181 PolarHBondContact OG1-N 3.44Å
180	K	97.8	Very high	97.2	Very high	113 Å²	113	55.5 Å²	55.5	49%	0.491	26%	0.258	S	S	.	.			trans	60.7	17.7	-171.7	-51.7	-53.9	-175.4	-166.9	0	113.7	R175 E176 R177 I182	R175-K180 HydrophobicContact CG-CB 4.4Å; R175-K180 WeakPolarHBondContact CG-O 3.39Å; E176-K180 WeakPolarHBondContact O-CA 3.41Å; E176-K180 PolarHBondContact O-N 3.17Å; R177-K180 WeakPolarHBondContact O-CD 3.3Å; R177-K180 VanDerWaalsContact O-CE 3.28Å; R177-K180 WeakPolarHBondContact O-CE 3.02Å; R177-K180 PolarHBondContact O-NZ 3.2Å; K180-I182 PolarHBondContact O-N 2.86Å
181	F	97.8	Very high	97.1	Very high	101 Å²	101	61.6 Å²	61.6	44%	0.443	28%	0.282	S	S	.	.			trans	-67.4	129.9	179.3	-172.6	-103.1	0	0	0	111.3	R175 E176 T179 L183 Y221	R175-F181 WeakPolarHBondContact CA-O 3.21Å; E176-F181 PolarHBondContact N-O 2.84Å; T179-F181 PolarHBondContact O-N 3Å; T179-F181 VanDerWaalsContact OG1-CB 3.26Å; T179-F181 WeakPolarHBondContact OG1-CB 3.5Å; T179-F181 PolarHBondContact OG1-N 3.44Å; F181-L183 HydrophobicContact CD1-CB 4.41Å; F181-L183 HydrophobicContact CD1-CD2 4.45Å; F181-L183 HydrophobicContact CE1-CB 4.46Å; F181-Y221 AromaticContact CE1-CE2 3.71Å; F181-Y221 HydrophobicContact CE1-CE2 3.71Å; F181-Y221 AromaticContact CE1-CZ 3.84Å; F181-Y221 HydrophobicContact CZ-CE2 4.33Å
182	I	98.3	Very high	97	Very high	77 Å²	77	64.2 Å²	64.2	40%	0.395	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	133.9	-179.9	-58.6	-62.3	0	0	0	109.8	L173 R175 K180 Y236	L173-I182 HydrophobicContact CD1-CG2 3.59Å; R175-I182 HydrophobicContact CB-CD1 3.88Å; R175-I182 HydrophobicContact CG-CD1 3.87Å; K180-I182 PolarHBondContact O-N 2.86Å; I182-Y236 HydrophobicContact CG2-CD1 3.7Å; I182-Y236 HydrophobicContact CG2-CE1 4.31Å; I182-Y236 HydrophobicContact CG2-CG 4.2Å
183	L	98.4	Very high	96.6	Very high	4 Å²	4	61.5 Å²	61.5	2%	0.021	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	171.7	-175.2	61.4	88.7	0	0	0	111.4	F157 A174 E176 F181 L185 I233 L234	F157-L183 HydrophobicContact CD1-CD1 4.3Å; F157-L183 HydrophobicContact CD1-CD2 3.95Å; F157-L183 HydrophobicContact CE1-CD1 4.41Å; F157-L183 HydrophobicContact CE1-CD2 3.66Å; A174-L183 HydrophobicContact CB-CD1 3.57Å; A174-L183 HydrophobicContact CB-CG 4.23Å; A174-L183 PolarHBondContact N-O 2.84Å; A174-L183 PolarHBondContact O-N 3.36Å; A174-L183 VanDerWaalsContact O-O 3.1Å; E176-L183 HydrophobicContact CB-CD2 4.11Å; F181-L183 HydrophobicContact CD1-CB 4.41Å; F181-L183 HydrophobicContact CD1-CD2 4.45Å; F181-L183 HydrophobicContact CE1-CB 4.46Å; L183-L185 HydrophobicContact CD1-CB 4.24Å; L183-L185 HydrophobicContact CD1-CD1 4.46Å; L183-I233 HydrophobicContact CD1-CG2 4Å; L183-I233 HydrophobicContact CD2-CG2 3.8Å; L183-I233 HydrophobicContact CG-CG2 4.36Å; L183-L234 WeakPolarHBondContact CB-O 3.15Å
184	A	98.3	Very high	96.3	Very high	7 Å²	7	64.8 Å²	64.8	6%	0.058	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	131.2	169.9	0	0	0	0	0	109.9	L163 V171 Y172 L234	L163-A184 HydrophobicContact CD1-CB 4.05Å; V171-A184 HydrophobicContact CG1-CB 4Å; Y172-A184 CarbonylContact O-C 3.51Å; Y172-A184 WeakPolarHBondContact O-CA 3.37Å; A184-L234 HydrophobicContact CB-CB 4.2Å; A184-L234 PolarHBondContact N-O 2.84Å; A184-L234 PolarHBondContact O-N 3.21Å
185	L	98	Very high	96	Very high	1 Å²	1	74 Å²	74	1%	0.005	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	105	177.2	-162.4	70.4	0	0	0	109.4	L154 I159 V171 Y172 A174 L183 F224 Y231 L232 I233	L154-L185 HydrophobicContact CD1-CD2 3.99Å; I159-L185 HydrophobicContact CD1-CD2 3.56Å; V171-L185 WeakPolarHBondContact CA-O 3.24Å; Y172-L185 PolarHBondContact N-O 3.34Å; Y172-L185 PolarHBondContact O-N 3.5Å; A174-L185 HydrophobicContact CB-CB 3.99Å; L183-L185 HydrophobicContact CD1-CB 4.24Å; L183-L185 HydrophobicContact CD1-CD1 4.46Å; L185-F224 HydrophobicContact CD1-CE1 4.02Å; L185-F224 HydrophobicContact CD1-CZ 4.34Å; L185-Y231 HydrophobicContact CD2-CD1 3.96Å; L185-Y231 HydrophobicContact CG-CD1 4.21Å; L185-L232 WeakPolarHBondContact CA-O 3.09Å; L185-I233 HydrophobicContact CD1-CG1 4.02Å
186	K	96.4	Very high	95.5	Very high	32 Å²	32	71.7 Å²	71.7	14%	0.139	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	114.9	176.4	177	173.1	174.6	-171.6	0	108.5	V171 L188 E205 Y231 L232 L234	V171-K186 HydrophobicContact CG2-CB 4.09Å; V171-K186 HydrophobicContact CG2-CG 4.08Å; K186-L188 HydrophobicContact CG-CD2 4.2Å; K186-L188 HydrophobicContact CG-CG 4.36Å; K186-E205 IonicContact NZ-OE1 3.79Å; K186-E205 PolarHBondContact NZ-OE1 3.15Å; K186-E205 IonicContact NZ-OE2 3.85Å; K186-Y231 CarbonylContact O-C 3.56Å; K186-Y231 WeakPolarHBondContact O-CA 3.49Å; K186-L232 HydrophobicContact CB-CB 4.22Å; K186-L232 HydrophobicContact CD-CD1 4.22Å; K186-L232 PolarHBondContact N-O 2.92Å; K186-L232 PolarHBondContact O-N 2.78Å; K186-L234 HydrophobicContact CB-CD1 3.77Å; K186-L234 HydrophobicContact CD-CD1 4.07Å
187	V	96.8	Very high	95	Very high	12 Å²	12	73.8 Å²	73.8	7%	0.073	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	125	-177.6	-173.8	0	0	0	0	108.8	G169 N170 Y172 R229 Y231	G169-V187 CarbonylContact C-O 3.56Å; G169-V187 VanDerWaalsContact CA-O 3.25Å; G169-V187 WeakPolarHBondContact CA-O 3.35Å; N170-V187 PolarHBondContact N-O 3.26Å; N170-V187 PolarHBondContact O-N 3.02Å; Y172-V187 HydrophobicContact CD2-CG2 3.86Å; Y172-V187 HydrophobicContact CE2-CB 4.45Å; Y172-V187 HydrophobicContact CE2-CG2 3.97Å; V187-R229 HydrophobicContact CG1-CB 4.2Å; V187-R229 HydrophobicContact CG1-CG 4.06Å; V187-Y231 HydrophobicContact CB-CD1 4.47Å; V187-Y231 HydrophobicContact CG1-CD1 4.26Å; V187-Y231 HydrophobicContact CG1-CE1 3.95Å; V187-Y231 HydrophobicContact CG2-CD1 3.82Å; V187-Y231 HydrophobicContact CG2-CE1 3.94Å
188	L	95.6	Very high	94.4	Very high	9 Å²	9	68.5 Å²	68.5	5%	0.047	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	133.4	-178	-56.1	167.4	0	0	0	110	F168 K186 L193 L202 R229 V230 L232	F168-L188 HydrophobicContact CB-CD2 3.93Å; F168-L188 WeakPolarHBondContact O-CA 3.45Å; K186-L188 HydrophobicContact CG-CD2 4.2Å; K186-L188 HydrophobicContact CG-CG 4.36Å; L188-L193 HydrophobicContact CB-CD1 4.08Å; L188-L202 HydrophobicContact CD1-CD1 3.41Å; L188-L202 VanDerWaalsContact CD1-CD1 3.41Å; L188-L202 HydrophobicContact CD1-CD2 3.75Å; L188-L202 HydrophobicContact CD1-CG 4.24Å; L188-R229 CarbonylContact O-C 3.55Å; L188-R229 WeakPolarHBondContact O-CA 3.05Å; L188-V230 HydrophobicContact CB-CB 4.37Å; L188-V230 PolarHBondContact N-O 3.42Å; L188-V230 PolarHBondContact O-N 3.3Å; L188-L232 HydrophobicContact CD1-CD1 4.3Å; L188-L232 HydrophobicContact CD1-CG 4.4Å
189	F	95.8	Very high	94.1	Very high	81 Å²	81	63.7 Å²	63.7	36%	0.355	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	121.9	180	-66.5	-81.2	0	0	0	111.7	F168 K191 Q192 L193 R229	F168-F189 WeakPolarHBondContact O-CD2 3.41Å; F168-F189 PolarHBondContact O-N 2.69Å; F189-K191 PolarHBondContact O-N 2.85Å; F189-Q192 HydrophobicContact CB-CB 4.2Å; F189-Q192 HydrophobicContact CB-CG 3.92Å; F189-Q192 PolarHBondContact O-N 3.04Å; F189-L193 PolarHBondContact O-N 2.78Å; F189-L193 VanDerWaalsContact O-N 3.15Å; F189-R229 HydrophobicContact CD1-CG 3.89Å; F189-R229 HydrophobicContact CE1-CG 4.06Å
190	K	95.3	Very high	93.5	Very high	50 Å²	50	65.4 Å²	65.4	22%	0.217	32%	0.322	C	S	.	.	H	α-helix	trans	-56	-47.9	-177.3	-72.1	-178.6	171.2	-179.8	0	112.8	Q192 L193 E194 H225 D226 S228 V230	K190-Q192 PolarHBondContact O-N 2.98Å; K190-L193 WeakPolarHBondContact O-CB 3.3Å; K190-L193 PolarHBondContact O-N 2.89Å; K190-E194 WeakPolarHBondContact O-CG 3.49Å; K190-E194 PolarHBondContact O-N 2.81Å; K190-H225 PolarHBondContact NZ-ND1 3.3Å; K190-D226 WeakPolarHBondContact CE-O 3.31Å; K190-D226 PolarHBondContact NZ-O 3.33Å; K190-S228 WeakPolarHBondContact CB-O 3.38Å; K190-S228 PolarHBondContact N-O 2.82Å; K190-V230 HydrophobicContact CG-CG2 4.04Å
191	K	94.4	Very high	92.7	Very high	172 Å²	172	63 Å²	63	75%	0.748	31%	0.313	S	S	*	.	H	α-helix	trans	-56.6	-34.4	176.9	-67.5	-171.9	176.4	-175.8	0	113.6	F189 K195	F189-K191 PolarHBondContact O-N 2.85Å; K191-K195 VanDerWaalsContact O-CB 3.27Å; K191-K195 WeakPolarHBondContact O-CB 3.13Å; K191-K195 PolarHBondContact O-N 2.99Å; K191-K195 VanDerWaalsContact O-N 3.11Å
192	Q	92.8	Very high	92.3	Very high	88 Å²	88	59 Å²	59	41%	0.411	30%	0.296	S	S	.	.	H	α-helix	trans	-76.2	-36.3	179.1	-64.6	-178	3.3	0	0	111.6	F168 F189 K190 A196	F168-Q192 HydrophobicContact CD1-CB 4.16Å; F168-Q192 PolarHBondContact O-OE1 2.8Å; F189-Q192 HydrophobicContact CB-CB 4.2Å; F189-Q192 HydrophobicContact CB-CG 3.92Å; F189-Q192 PolarHBondContact O-N 3.04Å; K190-Q192 PolarHBondContact O-N 2.98Å; Q192-A196 WeakPolarHBondContact O-CB 3.48Å; Q192-A196 PolarHBondContact O-N 2.93Å
193	L	90.4	Very high	91.9	Very high	7 Å²	7	62.8 Å²	62.8	4%	0.037	31%	0.305	C	S	.	.	H	α-helix	trans	-66.3	-46.8	175.4	-64.2	166.5	0	0	0	111.3	F168 L188 F189 K190 A196 G197 V198 E199 L202	F168-L193 HydrophobicContact CB-CD2 3.97Å; F168-L193 HydrophobicContact CD1-CD2 4.09Å; F168-L193 HydrophobicContact CD2-CD2 3.9Å; F168-L193 HydrophobicContact CE2-CD2 4.41Å; F168-L193 HydrophobicContact CG-CD2 3.72Å; L188-L193 HydrophobicContact CB-CD1 4.08Å; F189-L193 PolarHBondContact O-N 2.78Å; F189-L193 VanDerWaalsContact O-N 3.15Å; K190-L193 WeakPolarHBondContact O-CB 3.3Å; K190-L193 PolarHBondContact O-N 2.89Å; L193-A196 CarbonylContact O-C 3.51Å; L193-A196 PolarHBondContact O-N 2.81Å; L193-G197 PolarHBondContact O-N 3.39Å; L193-V198 HydrophobicContact CB-CG2 4.31Å; L193-V198 HydrophobicContact CD2-CG2 3.7Å; L193-V198 PolarHBondContact O-N 3.45Å; L193-V198 VanDerWaalsContact O-N 3.14Å; L193-E199 HydrophobicContact CB-CG 4.19Å; L193-L202 HydrophobicContact CD1-CD2 3.5Å; L193-L202 VanDerWaalsContact CD1-CD2 3.5Å; L193-L202 HydrophobicContact CD2-CD2 4.44Å
194	E	92.3	Very high	91.2	Very high	107 Å²	107	67 Å²	67	50%	0.5	32%	0.321	S	S	.	.	H	α-helix	trans	-58.3	-50.8	175.7	-74.9	161.6	-161.5	0	0	111.1	K190 A196 G197 E199	K190-E194 WeakPolarHBondContact O-CG 3.49Å; K190-E194 PolarHBondContact O-N 2.81Å; E194-A196 PolarHBondContact O-N 2.82Å; E194-G197 PolarHBondContact O-N 2.78Å; E194-E199 HydrophobicContact CG-CG 4.48Å; E194-E199 WeakPolarHBondContact CG-OE1 3.31Å
195	K	91.8	Very high	90.7	Very high	195 Å²	195	67.2 Å²	67.2	85%	0.848	32%	0.321	S	S	*	.	H	α-helix	trans	-58.9	-32.5	178.6	-176.3	176.7	179.1	179.8	0	112.8	K191	K191-K195 VanDerWaalsContact O-CB 3.27Å; K191-K195 WeakPolarHBondContact O-CB 3.13Å; K191-K195 PolarHBondContact O-N 2.99Å; K191-K195 VanDerWaalsContact O-N 3.11Å
196	A	87.4	Confident	90.3	Very high	53 Å²	53	67.8 Å²	67.8	44%	0.438	32%	0.324	S	S	.	.	H	α-helix	trans	-88.8	-8.7	177.9	0	0	0	0	0	113.6	F168 Q192 L193 E194 V198	F168-A196 HydrophobicContact CE1-CB 3.67Å; F168-A196 HydrophobicContact CZ-CB 4.11Å; Q192-A196 WeakPolarHBondContact O-CB 3.48Å; Q192-A196 PolarHBondContact O-N 2.93Å; L193-A196 CarbonylContact O-C 3.51Å; L193-A196 PolarHBondContact O-N 2.81Å; E194-A196 PolarHBondContact O-N 2.82Å; A196-V198 VanDerWaalsContact C-N 3.34Å; A196-V198 HydrophobicContact CB-CG1 4.21Å; A196-V198 HydrophobicContact CB-CG2 4.07Å; A196-V198 PolarHBondContact O-N 3.01Å
197	G	87.2	Confident	90	Very high	51 Å²	51	72.4 Å²	72.4	53%	0.526	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.9	33.6	-177.9	0	0	0	0	0	113.9	L193 E194	L193-G197 PolarHBondContact O-N 3.39Å; E194-G197 PolarHBondContact O-N 2.78Å
198	V	85.6	Confident	89.6	Confident	17 Å²	17	72.4 Å²	72.4	10%	0.103	35%	0.346	C	S	.	.			trans	-111	12.5	-173.8	-61.7	0	0	0	0	114	F168 L193 A196 H200 Q201 L202	F168-V198 HydrophobicContact CE1-CG2 4Å; F168-V198 HydrophobicContact CE2-CG2 3.93Å; F168-V198 HydrophobicContact CZ-CG1 4.4Å; F168-V198 HydrophobicContact CZ-CG2 3.56Å; L193-V198 HydrophobicContact CB-CG2 4.31Å; L193-V198 HydrophobicContact CD2-CG2 3.7Å; L193-V198 PolarHBondContact O-N 3.45Å; L193-V198 VanDerWaalsContact O-N 3.14Å; A196-V198 VanDerWaalsContact C-N 3.34Å; A196-V198 HydrophobicContact CB-CG1 4.21Å; A196-V198 HydrophobicContact CB-CG2 4.07Å; A196-V198 PolarHBondContact O-N 3.01Å; V198-H200 PolarHBondContact O-N 2.91Å; V198-Q201 HydrophobicContact CB-CB 4.37Å; V198-Q201 HydrophobicContact CB-CG 4.44Å; V198-Q201 WeakPolarHBondContact O-CB 3.32Å; V198-Q201 PolarHBondContact O-N 2.95Å; V198-L202 PolarHBondContact O-N 3.5Å; V198-L202 VanDerWaalsContact O-N 3.13Å
199	E	88.6	Confident	89.5	Confident	60 Å²	60	72.1 Å²	72.1	28%	0.28	34%	0.344	S	S	.	.	H	α-helix	trans	-61.7	-33.6	-179.4	-53.6	107.2	127	0	0	112.2	L193 E194 Q201 L202 R203	L193-E199 HydrophobicContact CB-CG 4.19Å; E194-E199 HydrophobicContact CG-CG 4.48Å; E194-E199 WeakPolarHBondContact CG-OE1 3.31Å; E199-Q201 VanDerWaalsContact C-N 3.29Å; E199-Q201 PolarHBondContact O-N 2.91Å; E199-L202 PolarHBondContact O-N 2.85Å; E199-R203 WeakPolarHBondContact O-CG 3.37Å; E199-R203 PolarHBondContact O-N 2.74Å
200	H	84.3	Confident	89.3	Confident	136 Å²	136	69.9 Å²	69.9	63%	0.63	34%	0.339	S	S	*	.	H	α-helix	trans	-64.9	-32.5	174.7	-67.8	-76.3	0	0	0	112.9	V198 R204	V198-H200 PolarHBondContact O-N 2.91Å; H200-R204 WeakPolarHBondContact O-CB 3.47Å; H200-R204 PolarHBondContact O-N 3.44Å
201	Q	82.5	Confident	89.1	Confident	63 Å²	63	73.4 Å²	73.4	29%	0.294	36%	0.356	S	S	.	.	H	α-helix	trans	-69.7	-44	175	-62.6	178	11.8	0	0	110.2	V198 E199 R203 R204 E205	V198-Q201 HydrophobicContact CB-CB 4.37Å; V198-Q201 HydrophobicContact CB-CG 4.44Å; V198-Q201 WeakPolarHBondContact O-CB 3.32Å; V198-Q201 PolarHBondContact O-N 2.95Å; E199-Q201 VanDerWaalsContact C-N 3.29Å; E199-Q201 PolarHBondContact O-N 2.91Å; Q201-R203 PolarHBondContact O-N 2.83Å; Q201-R204 WeakPolarHBondContact O-CB 3.42Å; Q201-R204 PolarHBondContact O-N 2.91Å; Q201-E205 PolarHBondContact O-N 2.87Å
202	L	88.8	Confident	89.1	Confident	18 Å²	18	65.4 Å²	65.4	9%	0.094	32%	0.321	C	S	.	.	H	α-helix	trans	-62.2	-44.7	176.6	178.3	60.4	0	0	0	112.5	L188 L193 V198 E199 R204 E205 V206 V230 L232	L188-L202 HydrophobicContact CD1-CD1 3.41Å; L188-L202 VanDerWaalsContact CD1-CD1 3.41Å; L188-L202 HydrophobicContact CD1-CD2 3.75Å; L188-L202 HydrophobicContact CD1-CG 4.24Å; L193-L202 HydrophobicContact CD1-CD2 3.5Å; L193-L202 VanDerWaalsContact CD1-CD2 3.5Å; L193-L202 HydrophobicContact CD2-CD2 4.44Å; V198-L202 PolarHBondContact O-N 3.5Å; V198-L202 VanDerWaalsContact O-N 3.13Å; E199-L202 PolarHBondContact O-N 2.85Å; L202-R204 PolarHBondContact O-N 3.36Å; L202-E205 PolarHBondContact O-N 3.26Å; L202-V206 HydrophobicContact CD1-CG2 4.31Å; L202-V206 WeakPolarHBondContact O-CG2 3.36Å; L202-V206 PolarHBondContact O-N 3.44Å; L202-V230 HydrophobicContact CD2-CB 4.32Å; L202-V230 HydrophobicContact CD2-CG1 4.15Å; L202-V230 HydrophobicContact CD2-CG2 4.33Å; L202-L232 HydrophobicContact CD1-CD1 4.15Å
203	R	88.6	Confident	89.2	Confident	156 Å²	156	66.8 Å²	66.8	59%	0.589	32%	0.323	S	S	*	.	H	α-helix	trans	-57.9	-41.4	176.1	-72.5	-176.7	-168.3	120.6	0.4	111.1	E199 Q201 V206 E207	E199-R203 WeakPolarHBondContact O-CG 3.37Å; E199-R203 PolarHBondContact O-N 2.74Å; Q201-R203 PolarHBondContact O-N 2.83Å; R203-V206 PolarHBondContact O-N 2.76Å; R203-E207 VanDerWaalsContact O-CB 3.31Å; R203-E207 WeakPolarHBondContact O-CB 3.11Å; R203-E207 PolarHBondContact O-N 2.75Å
204	R	84.4	Confident	89.6	Confident	91 Å²	91	67.3 Å²	67.3	34%	0.343	33%	0.325	S	S	.	.	H	α-helix	trans	-67.6	-42.5	177.2	-175.4	179.5	-65.4	155	2.7	112.6	H200 Q201 L202 V206 E207 I208 S302	H200-R204 WeakPolarHBondContact O-CB 3.47Å; H200-R204 PolarHBondContact O-N 3.44Å; Q201-R204 WeakPolarHBondContact O-CB 3.42Å; Q201-R204 PolarHBondContact O-N 2.91Å; L202-R204 PolarHBondContact O-N 3.36Å; R204-V206 VanDerWaalsContact C-N 3.31Å; R204-V206 PolarHBondContact O-N 2.91Å; R204-E207 PolarHBondContact O-N 3.34Å; R204-I208 HydrophobicContact CG-CD1 3.55Å; R204-I208 HydrophobicContact CG-CG1 4.09Å; R204-I208 WeakPolarHBondContact O-CB 3.34Å; R204-I208 WeakPolarHBondContact O-CG1 3.44Å; R204-I208 PolarHBondContact O-N 3.12Å; R204-S302 WeakPolarHBondContact CD-O 3.44Å
205	E	87.3	Confident	89.8	Confident	13 Å²	13	65.4 Å²	65.4	6%	0.061	32%	0.322	C	S	.	.	H	α-helix	trans	-54.8	-49.9	174.3	-177.6	-175.7	169.7	0	0	109.9	K186 Q201 L202 Q209 F299	K186-E205 IonicContact NZ-OE1 3.79Å; K186-E205 PolarHBondContact NZ-OE1 3.15Å; K186-E205 IonicContact NZ-OE2 3.85Å; Q201-E205 PolarHBondContact O-N 2.87Å; L202-E205 PolarHBondContact O-N 3.26Å; E205-Q209 WeakPolarHBondContact O-CB 3.28Å; E205-Q209 PolarHBondContact O-N 3.15Å; E205-F299 HydrophobicContact CG-CB 4.23Å
206	V	91.2	Very high	90.1	Very high	13 Å²	13	56.5 Å²	56.5	8%	0.079	28%	0.284	C	S	.	.	H	α-helix	trans	-62.4	-48.2	178.1	172.7	0	0	0	0	111.6	L202 R203 R204 S210 L220 Y223 L232	L202-V206 HydrophobicContact CD1-CG2 4.31Å; L202-V206 WeakPolarHBondContact O-CG2 3.36Å; L202-V206 PolarHBondContact O-N 3.44Å; R203-V206 PolarHBondContact O-N 2.76Å; R204-V206 VanDerWaalsContact C-N 3.31Å; R204-V206 PolarHBondContact O-N 2.91Å; V206-S210 WeakPolarHBondContact O-CB 3.48Å; V206-S210 PolarHBondContact O-N 3.18Å; V206-S210 PolarHBondContact O-OG 3.47Å; V206-L220 HydrophobicContact CB-CD2 4.38Å; V206-L220 HydrophobicContact CG1-CD2 4.25Å; V206-L220 HydrophobicContact CG2-CD2 4.46Å; V206-Y223 HydrophobicContact CG1-CD1 3.37Å; V206-Y223 HydrophobicContact CG1-CE1 3.5Å; V206-Y223 VanDerWaalsContact CG1-CE1 3.5Å; V206-Y223 HydrophobicContact CG1-CG 3.99Å; V206-L232 HydrophobicContact CG2-CD2 3.6Å
207	E	89.6	Confident	90.6	Very high	128 Å²	128	54.2 Å²	54.2	60%	0.598	26%	0.264	S	S	*	.	H	α-helix	trans	-59.8	-52	179.8	-176.3	-177.1	179.7	0	0	111.4	R203 R204 S210 H211	R203-E207 VanDerWaalsContact O-CB 3.31Å; R203-E207 WeakPolarHBondContact O-CB 3.11Å; R203-E207 PolarHBondContact O-N 2.75Å; R204-E207 PolarHBondContact O-N 3.34Å; E207-S210 PolarHBondContact O-OG 3.04Å; E207-H211 PolarHBondContact O-ND1 3.31Å
208	I	88.8	Confident	91.1	Very high	12 Å²	12	52.2 Å²	52.2	6%	0.062	24%	0.241	C	C	.	.	H	α-helix	trans	-65.3	-57.3	-179	-68.1	176.9	0	0	0	110.2	R204 S210 H211 L212 V276 F299	R204-I208 HydrophobicContact CG-CD1 3.55Å; R204-I208 HydrophobicContact CG-CG1 4.09Å; R204-I208 WeakPolarHBondContact O-CB 3.34Å; R204-I208 WeakPolarHBondContact O-CG1 3.44Å; R204-I208 PolarHBondContact O-N 3.12Å; I208-S210 VanDerWaalsContact C-N 3.26Å; I208-S210 PolarHBondContact O-N 3.49Å; I208-H211 PolarHBondContact O-N 2.71Å; I208-L212 HydrophobicContact CG2-CD1 3.89Å; I208-L212 HydrophobicContact CG2-CG 4.35Å; I208-L212 WeakPolarHBondContact O-CG 3.48Å; I208-L212 PolarHBondContact O-N 3.42Å; I208-V276 HydrophobicContact CG2-CG1 3.73Å; I208-V276 HydrophobicContact CG2-CG2 3.91Å; I208-F299 HydrophobicContact CG2-CD1 4.02Å
209	Q	92.6	Very high	91.6	Very high	3 Å²	3	54 Å²	54	1%	0.014	25%	0.246	C	C	.	.	H	α-helix	trans	-66.8	-28.1	-171	-163.8	178.7	3	0	0	112.4	E205 H211 L212 L218 L220 F299	E205-Q209 WeakPolarHBondContact O-CB 3.28Å; E205-Q209 PolarHBondContact O-N 3.15Å; Q209-H211 PolarHBondContact O-N 3.3Å; Q209-L212 PolarHBondContact O-N 3.13Å; Q209-L218 PolarHBondContact NE2-O 3.47Å; Q209-L220 HydrophobicContact CB-CB 4.22Å; Q209-L220 HydrophobicContact CB-CD2 4.19Å; Q209-L220 HydrophobicContact CG-CB 3.84Å; Q209-F299 HydrophobicContact CB-CB 4.43Å; Q209-F299 HydrophobicContact CB-CD2 4.38Å; Q209-F299 HydrophobicContact CB-CG 4.4Å; Q209-F299 HydrophobicContact CG-CD2 3.97Å; Q209-F299 HydrophobicContact CG-CE2 4.39Å; Q209-F299 HydrophobicContact CG-CG 4.47Å
210	S	92	Very high	92	Very high	35 Å²	35	51.3 Å²	51.3	25%	0.245	23%	0.233	C	C	.	.	H	α-helix	trans	-66.1	-17.6	174.7	67.1	0	0	0	0	113.8	V206 E207 I208 R213	V206-S210 WeakPolarHBondContact O-CB 3.48Å; V206-S210 PolarHBondContact O-N 3.18Å; V206-S210 PolarHBondContact O-OG 3.47Å; E207-S210 PolarHBondContact O-OG 3.04Å; I208-S210 VanDerWaalsContact C-N 3.26Å; I208-S210 PolarHBondContact O-N 3.49Å; S210-R213 PolarHBondContact O-NH1 3.36Å; S210-R213 PolarHBondContact O-NH2 3Å
211	H	91.6	Very high	92.5	Very high	124 Å²	124	49.3 Å²	49.3	57%	0.574	22%	0.221	S	C	*	.	H	α-helix	trans	-103.9	-8.2	177.8	-65.3	96.9	0	0	0	114.4	E207 I208 Q209 K274	E207-H211 PolarHBondContact O-ND1 3.31Å; I208-H211 PolarHBondContact O-N 2.71Å; Q209-H211 PolarHBondContact O-N 3.3Å; H211-K274 PolarHBondContact O-NZ 2.92Å
212	L	93.9	Very high	93.2	Very high	4 Å²	4	47 Å²	47	2%	0.021	22%	0.215	C	C	.	.			trans	-84.1	131.8	177.3	-58.9	177.8	0	0	0	111.2	I208 Q209 I217 Y270 K274 V276 F299	I208-L212 HydrophobicContact CG2-CD1 3.89Å; I208-L212 HydrophobicContact CG2-CG 4.35Å; I208-L212 WeakPolarHBondContact O-CG 3.48Å; I208-L212 PolarHBondContact O-N 3.42Å; Q209-L212 PolarHBondContact O-N 3.13Å; L212-I217 HydrophobicContact CB-CD1 4.39Å; L212-I217 HydrophobicContact CB-CG2 4.25Å; L212-I217 HydrophobicContact CD1-CD1 4.36Å; L212-I217 HydrophobicContact CD1-CG2 4.43Å; L212-Y270 HydrophobicContact CB-CE1 4.09Å; L212-Y270 HydrophobicContact CD2-CD1 4.38Å; L212-Y270 HydrophobicContact CD2-CE1 3.7Å; L212-Y270 HydrophobicContact CG-CE1 4.47Å; L212-K274 HydrophobicContact CD2-CD 3.93Å; L212-V276 HydrophobicContact CD2-CG2 4.43Å; L212-F299 HydrophobicContact CD1-CD1 3.73Å; L212-F299 HydrophobicContact CD1-CE1 3.19Å; L212-F299 HydrophobicContact CD1-CE2 4.43Å; L212-F299 HydrophobicContact CD1-CZ 3.61Å
213	R	95.4	Very high	93.5	Very high	116 Å²	116	52.5 Å²	52.5	44%	0.438	24%	0.235	S	C	.	.			trans	-137.5	95.2	-179.7	-59.9	-66.4	179	-75.7	-4.8	107.8	S210 R219 Y270	S210-R213 PolarHBondContact O-NH1 3.36Å; S210-R213 PolarHBondContact O-NH2 3Å; R213-R219 VanDerWaalsContact CD-NE 3.3Å; R213-R219 VanDerWaalsContact NE-NH2 3.19Å; R213-Y270 PolarHBondContact N-OH 2.84Å; R213-Y270 WeakPolarHBondContact O-CE2 3.3Å; R213-Y270 VanDerWaalsContact O-CZ 3.23Å; R213-Y270 PolarHBondContact O-OH 3.13Å
214	H	97.3	Very high	93.9	Very high	19 Å²	19	46 Å²	46	9%	0.088	21%	0.211	C	C	.	.			trans	-150.6	141.2	179	-170.3	-89.4	0	0	0	108.9	N216 I217 D266 A267 Y270 T418	H214-N216 PolarHBondContact ND1-N 2.9Å; H214-N216 VanDerWaalsContact ND1-N 3.13Å; H214-N216 PolarHBondContact O-N 3.2Å; H214-I217 HydrophobicContact CB-CB 4.08Å; H214-I217 HydrophobicContact CB-CD1 3.7Å; H214-I217 HydrophobicContact CB-CG1 3.83Å; H214-I217 PolarHBondContact O-N 3.45Å; H214-I217 VanDerWaalsContact O-N 3.11Å; H214-D266 IonicContact CE1-OD2 3.85Å; H214-D266 PolarHBondContact CE1-OD2 3.44Å; H214-D266 IonicContact NE2-OD2 3.73Å; H214-D266 PolarHBondContact NE2-OD2 2.84Å; H214-A267 PolarHBondContact CE1-N 3.25Å; H214-Y270 HydrophobicContact CB-CD1 3.87Å; H214-Y270 HydrophobicContact CB-CE1 4.15Å; H214-Y270 HydrophobicContact CB-CG 4.11Å; H214-Y270 AromaticContact CD2-CG 3.77Å; H214-T418 PolarHBondContact NE2-OG1 3.32Å
215	P	97.1	Very high	94.5	Very high	67 Å²	67	47.3 Å²	47.3	44%	0.435	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-35.7	-178.6	21	-33.4	0	0	0	113.3	K295 T418	P215-K295 PolarHBondContact O-NZ 3.02Å; P215-T418 HydrophobicContact CG-CG2 4.3Å
216	N	97.8	Very high	94.9	Very high	8 Å²	8	48.9 Å²	48.9	4%	0.043	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.6	20.1	179.6	-53.2	101.6	0	0	0	114.3	H214 E263 A267 L294 K295 I296	H214-N216 PolarHBondContact ND1-N 2.9Å; H214-N216 VanDerWaalsContact ND1-N 3.13Å; H214-N216 PolarHBondContact O-N 3.2Å; N216-E263 HydrophobicContact CB-CB 4.39Å; N216-E263 WeakPolarHBondContact CB-O 3.46Å; N216-E263 WeakPolarHBondContact ND2-CB 3.47Å; N216-E263 WeakPolarHBondContact ND2-CG 3.34Å; N216-A267 HydrophobicContact CB-CB 3.95Å; N216-L294 WeakPolarHBondContact CA-O 3.42Å; N216-L294 VanDerWaalsContact CB-O 3.23Å; N216-L294 WeakPolarHBondContact CB-O 3.09Å; N216-L294 PolarHBondContact ND2-O 3.14Å; N216-K295 WeakPolarHBondContact O-CA 3.48Å; N216-I296 PolarHBondContact O-N 2.83Å
217	I	97.7	Very high	95.1	Very high	5 Å²	5	53.2 Å²	53.2	3%	0.026	27%	0.266	C	S	.	.	B	Isolated β-bridge	trans	-122.1	127.9	170.1	-63.4	176.1	0	0	0	108.8	L212 H214 R219 A267 Y270 C271 F299	L212-I217 HydrophobicContact CB-CD1 4.39Å; L212-I217 HydrophobicContact CB-CG2 4.25Å; L212-I217 HydrophobicContact CD1-CD1 4.36Å; L212-I217 HydrophobicContact CD1-CG2 4.43Å; H214-I217 HydrophobicContact CB-CB 4.08Å; H214-I217 HydrophobicContact CB-CD1 3.7Å; H214-I217 HydrophobicContact CB-CG1 3.83Å; H214-I217 PolarHBondContact O-N 3.45Å; H214-I217 VanDerWaalsContact O-N 3.11Å; I217-R219 PolarHBondContact O-N 2.81Å; I217-A267 HydrophobicContact CD1-CB 4.35Å; I217-A267 HydrophobicContact CG1-CB 3.86Å; I217-Y270 HydrophobicContact CD1-CD1 3.7Å; I217-Y270 HydrophobicContact CD1-CE1 4.16Å; I217-C271 WeakPolarHBondContact CD1-SG 3.28Å; I217-F299 HydrophobicContact CD1-CZ 4.43Å; I217-F299 HydrophobicContact CG1-CZ 4.5Å; I217-F299 HydrophobicContact CG2-CE2 3.71Å; I217-F299 HydrophobicContact CG2-CZ 3.64Å
218	L	97.3	Very high	95.5	Very high	8 Å²	8	49.8 Å²	49.8	4%	0.042	26%	0.257	C	S	.	.			trans	-62	123.2	-179.7	-164.9	77.6	0	0	0	110.5	Q209 L234 E235 A237 L287 K295 I296 A297	Q209-L218 PolarHBondContact NE2-O 3.47Å; L218-L234 HydrophobicContact CD2-CB 4.47Å; L218-E235 HydrophobicContact CD1-CB 3.9Å; L218-E235 HydrophobicContact CD1-CG 4.09Å; L218-E235 HydrophobicContact CG-CB 4.18Å; L218-A237 HydrophobicContact CD1-CB 4.22Å; L218-L287 HydrophobicContact CD1-CD1 4.12Å; L218-L287 HydrophobicContact CD2-CD1 3.86Å; L218-K295 HydrophobicContact CB-CB 4.42Å; L218-K295 HydrophobicContact CD1-CB 4.29Å; L218-K295 HydrophobicContact CD1-CD 3.98Å; L218-I296 VanDerWaalsContact CB-O 3.3Å; L218-I296 WeakPolarHBondContact CB-O 3.4Å; L218-I296 PolarHBondContact N-O 2.87Å; L218-A297 HydrophobicContact CB-CB 4.28Å; L218-A297 HydrophobicContact CD2-CB 3.95Å
219	R	97	Very high	95.9	Very high	55 Å²	55	53 Å²	53	21%	0.208	27%	0.268	C	S	.	.			trans	-73.9	130.3	-174.2	-167.7	74.7	-177.8	77.5	24.1	112.3	R213 I217 Y221 L234 E235	R213-R219 VanDerWaalsContact CD-NE 3.3Å; R213-R219 VanDerWaalsContact NE-NH2 3.19Å; I217-R219 PolarHBondContact O-N 2.81Å; R219-Y221 HydrophobicContact CB-CE1 4.11Å; R219-Y221 HydrophobicContact CG-CD1 3.75Å; R219-Y221 HydrophobicContact CG-CE1 3.53Å; R219-L234 CarbonylContact O-C 3.5Å; R219-L234 WeakPolarHBondContact O-CA 3.45Å; R219-E235 HydrophobicContact CB-CB 3.91Å; R219-E235 PolarHBondContact N-OE2 2.96Å; R219-E235 PolarHBondContact O-N 3.01Å
220	L	96.9	Very high	96.1	Very high	3 Å²	3	53.8 Å²	53.8	2%	0.016	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	106.1	162.1	178.5	65.2	0	0	0	110	V206 Q209 G222 L232 L234	V206-L220 HydrophobicContact CB-CD2 4.38Å; V206-L220 HydrophobicContact CG1-CD2 4.25Å; V206-L220 HydrophobicContact CG2-CD2 4.46Å; Q209-L220 HydrophobicContact CB-CB 4.22Å; Q209-L220 HydrophobicContact CB-CD2 4.19Å; Q209-L220 HydrophobicContact CG-CB 3.84Å; L220-G222 WeakPolarHBondContact CD1-O 3.36Å; L220-L232 HydrophobicContact CD1-CB 3.91Å; L220-L234 HydrophobicContact CB-CD2 4.17Å; L220-L234 HydrophobicContact CD1-CD2 3.65Å; L220-L234 HydrophobicContact CD1-CG 4.44Å
221	Y	95.9	Very high	96.3	Very high	94 Å²	94	52.2 Å²	52.2	37%	0.369	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	-32.5	-179.6	-61.6	-60.8	0	0	0	112.9	F181 R219 I233 E235	F181-Y221 AromaticContact CE1-CE2 3.71Å; F181-Y221 HydrophobicContact CE1-CE2 3.71Å; F181-Y221 AromaticContact CE1-CZ 3.84Å; F181-Y221 HydrophobicContact CZ-CE2 4.33Å; R219-Y221 HydrophobicContact CB-CE1 4.11Å; R219-Y221 HydrophobicContact CG-CD1 3.75Å; R219-Y221 HydrophobicContact CG-CE1 3.53Å; Y221-I233 HydrophobicContact CD2-CG2 4.24Å; Y221-I233 PolarHBondContact N-O 2.87Å; Y221-E235 HydrophobicContact CE2-CB 4.14Å
222	G	95.3	Very high	96.6	Very high	16 Å²	16	46.3 Å²	46.3	17%	0.165	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	173.4	-176.5	-179.5	0	0	0	0	0	111.8	L220 I233	L220-G222 WeakPolarHBondContact CD1-O 3.36Å; G222-I233 WeakPolarHBondContact O-CB 3.46Å; G222-I233 PolarHBondContact O-N 2.82Å
223	Y	96.4	Very high	96.7	Very high	133 Å²	133	46.3 Å²	46.3	52%	0.522	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	161	176.7	69.4	-82.7	0	0	0	110.1	V206 Y231	V206-Y223 HydrophobicContact CG1-CD1 3.37Å; V206-Y223 HydrophobicContact CG1-CE1 3.5Å; V206-Y223 VanDerWaalsContact CG1-CE1 3.5Å; V206-Y223 HydrophobicContact CG1-CG 3.99Å; Y223-Y231 CarbonylContact C-O 3.51Å; Y223-Y231 WeakPolarHBondContact CA-O 3.49Å; Y223-Y231 VanDerWaalsContact CB-O 3.3Å; Y223-Y231 WeakPolarHBondContact CB-O 3.04Å
224	F	96.7	Very high	96.8	Very high	19 Å²	19	41.4 Å²	41.4	8%	0.083	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	174.2	169.2	61.8	-82.3	0	0	0	109.8	W152 L154 F157 L185 Y231 I233	W152-F224 HydrophobicContact CB-CB 4.03Å; W152-F224 HydrophobicContact CB-CD1 3.67Å; W152-F224 HydrophobicContact CB-CE1 4.38Å; W152-F224 HydrophobicContact CB-CG 4.02Å; W152-F224 VanDerWaalsContact O-CB 3.25Å; W152-F224 WeakPolarHBondContact O-CB 3.34Å; L154-F224 HydrophobicContact CB-CE2 4.21Å; L154-F224 HydrophobicContact CD1-CZ 4.49Å; F157-F224 HydrophobicContact CD2-CE1 4.21Å; F157-F224 HydrophobicContact CD2-CZ 4.15Å; F157-F224 HydrophobicContact CE2-CD1 4.46Å; F157-F224 AromaticContact CE2-CE1 3.58Å; F157-F224 HydrophobicContact CE2-CE1 3.58Å; F157-F224 AromaticContact CE2-CZ 3.95Å; F157-F224 HydrophobicContact CE2-CZ 3.95Å; F157-F224 HydrophobicContact CZ-CE1 4.32Å; L185-F224 HydrophobicContact CD1-CE1 4.02Å; L185-F224 HydrophobicContact CD1-CZ 4.34Å; F224-Y231 HydrophobicContact CD1-CG 4.49Å; F224-Y231 AromaticContact CD2-CD2 3.48Å; F224-Y231 HydrophobicContact CD2-CD2 3.48Å; F224-Y231 VanDerWaalsContact CD2-CD2 3.48Å; F224-Y231 HydrophobicContact CD2-CE2 4.12Å; F224-Y231 AromaticContact CD2-CG 3.92Å; F224-Y231 HydrophobicContact CD2-CG 3.92Å; F224-Y231 VanDerWaalsContact CE1-CB 3.48Å; F224-Y231 HydrophobicContact CE1-CG 4.03Å; F224-Y231 AromaticContact CE2-CD1 3.95Å; F224-Y231 HydrophobicContact CE2-CD1 3.95Å; F224-Y231 AromaticContact CE2-CD2 3.23Å; F224-Y231 HydrophobicContact CE2-CD2 3.23Å; F224-Y231 HydrophobicContact CE2-CE1 4.34Å; F224-Y231 AromaticContact CE2-CE2 3.69Å; F224-Y231 HydrophobicContact CE2-CE2 3.69Å; F224-Y231 AromaticContact CE2-CG 3.36Å; F224-Y231 HydrophobicContact CE2-CG 3.36Å; F224-Y231 HydrophobicContact CG-CD2 4.26Å; F224-Y231 HydrophobicContact CG-CG 4.45Å; F224-Y231 VanDerWaalsContact CZ-CB 3.45Å; F224-Y231 AromaticContact CZ-CD1 3.79Å; F224-Y231 HydrophobicContact CZ-CD1 3.79Å; F224-Y231 AromaticContact CZ-CD2 3.84Å; F224-Y231 HydrophobicContact CZ-CD2 3.84Å; F224-Y231 HydrophobicContact CZ-CE1 4.46Å; F224-Y231 AromaticContact CZ-CG 3.43Å; F224-Y231 HydrophobicContact CZ-CG 3.43Å; F224-Y231 VanDerWaalsContact CZ-CG 3.43Å; F224-Y231 PolarHBondContact N-O 2.9Å; F224-Y231 PolarHBondContact O-N 3.34Å; F224-I233 HydrophobicContact CD1-CD1 4.03Å; F224-I233 HydrophobicContact CD1-CG1 4.21Å; F224-I233 HydrophobicContact CE1-CD1 4.17Å; F224-I233 HydrophobicContact CE1-CG1 4.07Å
225	H	96.6	Very high	96.9	Very high	119 Å²	119	42.2 Å²	42.2	55%	0.551	22%	0.221	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-147.2	154.2	177.4	66.7	72.4	0	0	0	111.6	K190 R229 V230	K190-H225 PolarHBondContact NZ-ND1 3.3Å; H225-R229 CarbonylContact C-O 3.55Å; H225-R229 VanDerWaalsContact CA-O 3.24Å; H225-R229 WeakPolarHBondContact CA-O 3.32Å; H225-R229 VanDerWaalsContact CB-O 3.28Å; H225-R229 WeakPolarHBondContact CB-O 3.42Å; H225-V230 HydrophobicContact CB-CG2 4.2Å
226	D	96.2	Very high	96.9	Very high	46 Å²	46	41.7 Å²	41.7	25%	0.246	21%	0.21	C	C	.	.			trans	-112	-168.2	166.3	68.1	39	0	0	0	110.3	K190 S228 R229 Y231	K190-D226 WeakPolarHBondContact CE-O 3.31Å; K190-D226 PolarHBondContact NZ-O 3.33Å; D226-S228 PolarHBondContact O-N 2.97Å; D226-S228 WeakPolarHBondContact OD1-CA 3.37Å; D226-S228 PolarHBondContact OD1-N 3.04Å; D226-S228 PolarHBondContact OD1-OG 2.8Å; D226-R229 PolarHBondContact N-O 2.86Å; D226-R229 PolarHBondContact OD1-N 3.03Å; D226-R229 IonicContact OD1-NE 3.78Å; D226-R229 IonicContact OD2-CZ 2.9Å; D226-R229 VanDerWaalsContact OD2-CZ 3.31Å; D226-R229 IonicContact OD2-NE 3.04Å; D226-R229 PolarHBondContact OD2-NE 3.03Å; D226-R229 IonicContact OD2-NH2 2.73Å; D226-R229 PolarHBondContact OD2-NH2 3.5Å; D226-Y231 HydrophobicContact CB-CE2 4.38Å; D226-Y231 WeakPolarHBondContact OD2-CE2 3.3Å; D226-Y231 PolarHBondContact OD2-OH 3.43Å
227	A	96.1	Very high	96.9	Very high	103 Å²	103	41.8 Å²	41.8	85%	0.851	21%	0.213	S	C	*	.	S	Bend	trans	-59.4	-26.6	179	0	0	0	0	0	113.5
228	S	96.3	Very high	96.8	Very high	57 Å²	57	44.4 Å²	44.4	40%	0.399	23%	0.23	S	C	.	.	S	Bend	trans	-120.5	-22.6	-168.6	65.2	0	0	0	0	114.6	K190 D226	K190-S228 WeakPolarHBondContact CB-O 3.38Å; K190-S228 PolarHBondContact N-O 2.82Å; D226-S228 PolarHBondContact O-N 2.97Å; D226-S228 WeakPolarHBondContact OD1-CA 3.37Å; D226-S228 PolarHBondContact OD1-N 3.04Å; D226-S228 PolarHBondContact OD1-OG 2.8Å
229	R	97.2	Very high	96.7	Very high	79 Å²	79	49.6 Å²	49.6	30%	0.298	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	151.1	-167.5	-68.2	167.4	-66.3	-179.7	7.1	112.3	V187 L188 F189 H225 D226 Y231	V187-R229 HydrophobicContact CG1-CB 4.2Å; V187-R229 HydrophobicContact CG1-CG 4.06Å; L188-R229 CarbonylContact O-C 3.55Å; L188-R229 WeakPolarHBondContact O-CA 3.05Å; F189-R229 HydrophobicContact CD1-CG 3.89Å; F189-R229 HydrophobicContact CE1-CG 4.06Å; H225-R229 CarbonylContact C-O 3.55Å; H225-R229 VanDerWaalsContact CA-O 3.24Å; H225-R229 WeakPolarHBondContact CA-O 3.32Å; H225-R229 VanDerWaalsContact CB-O 3.28Å; H225-R229 WeakPolarHBondContact CB-O 3.42Å; D226-R229 PolarHBondContact N-O 2.86Å; D226-R229 PolarHBondContact OD1-N 3.03Å; D226-R229 IonicContact OD1-NE 3.78Å; D226-R229 IonicContact OD2-CZ 2.9Å; D226-R229 VanDerWaalsContact OD2-CZ 3.31Å; D226-R229 IonicContact OD2-NE 3.04Å; D226-R229 PolarHBondContact OD2-NE 3.03Å; D226-R229 IonicContact OD2-NH2 2.73Å; D226-R229 PolarHBondContact OD2-NH2 3.5Å; R229-Y231 HydrophobicContact CB-CD2 4.45Å; R229-Y231 HydrophobicContact CB-CE2 3.73Å; R229-Y231 PolarHBondContact NE-OH 3.21Å; R229-Y231 PolarHBondContact NH2-OH 2.9Å
230	V	96.6	Very high	96.6	Very high	20 Å²	20	48.4 Å²	48.4	12%	0.121	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	141.3	165.1	-178.6	0	0	0	0	108	L188 K190 L202 H225 L232	L188-V230 HydrophobicContact CB-CB 4.37Å; L188-V230 PolarHBondContact N-O 3.42Å; L188-V230 PolarHBondContact O-N 3.3Å; K190-V230 HydrophobicContact CG-CG2 4.04Å; L202-V230 HydrophobicContact CD2-CB 4.32Å; L202-V230 HydrophobicContact CD2-CG1 4.15Å; L202-V230 HydrophobicContact CD2-CG2 4.33Å; H225-V230 HydrophobicContact CB-CG2 4.2Å; V230-L232 HydrophobicContact CG1-CD2 4.23Å
231	Y	97.1	Very high	96.3	Very high	2 Å²	2	52.7 Å²	52.7	1%	0.008	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	125.3	-177.9	-57.9	-97.9	0	0	0	109.4	L154 L185 K186 V187 Y223 F224 D226 R229	L154-Y231 HydrophobicContact CD1-CD1 4.37Å; L154-Y231 HydrophobicContact CD1-CE1 3.84Å; L185-Y231 HydrophobicContact CD2-CD1 3.96Å; L185-Y231 HydrophobicContact CG-CD1 4.21Å; K186-Y231 CarbonylContact O-C 3.56Å; K186-Y231 WeakPolarHBondContact O-CA 3.49Å; V187-Y231 HydrophobicContact CB-CD1 4.47Å; V187-Y231 HydrophobicContact CG1-CD1 4.26Å; V187-Y231 HydrophobicContact CG1-CE1 3.95Å; V187-Y231 HydrophobicContact CG2-CD1 3.82Å; V187-Y231 HydrophobicContact CG2-CE1 3.94Å; Y223-Y231 CarbonylContact C-O 3.51Å; Y223-Y231 WeakPolarHBondContact CA-O 3.49Å; Y223-Y231 VanDerWaalsContact CB-O 3.3Å; Y223-Y231 WeakPolarHBondContact CB-O 3.04Å; F224-Y231 HydrophobicContact CD1-CG 4.49Å; F224-Y231 AromaticContact CD2-CD2 3.48Å; F224-Y231 HydrophobicContact CD2-CD2 3.48Å; F224-Y231 VanDerWaalsContact CD2-CD2 3.48Å; F224-Y231 HydrophobicContact CD2-CE2 4.12Å; F224-Y231 AromaticContact CD2-CG 3.92Å; F224-Y231 HydrophobicContact CD2-CG 3.92Å; F224-Y231 VanDerWaalsContact CE1-CB 3.48Å; F224-Y231 HydrophobicContact CE1-CG 4.03Å; F224-Y231 AromaticContact CE2-CD1 3.95Å; F224-Y231 HydrophobicContact CE2-CD1 3.95Å; F224-Y231 AromaticContact CE2-CD2 3.23Å; F224-Y231 HydrophobicContact CE2-CD2 3.23Å; F224-Y231 HydrophobicContact CE2-CE1 4.34Å; F224-Y231 AromaticContact CE2-CE2 3.69Å; F224-Y231 HydrophobicContact CE2-CE2 3.69Å; F224-Y231 AromaticContact CE2-CG 3.36Å; F224-Y231 HydrophobicContact CE2-CG 3.36Å; F224-Y231 HydrophobicContact CG-CD2 4.26Å; F224-Y231 HydrophobicContact CG-CG 4.45Å; F224-Y231 VanDerWaalsContact CZ-CB 3.45Å; F224-Y231 AromaticContact CZ-CD1 3.79Å; F224-Y231 HydrophobicContact CZ-CD1 3.79Å; F224-Y231 AromaticContact CZ-CD2 3.84Å; F224-Y231 HydrophobicContact CZ-CD2 3.84Å; F224-Y231 HydrophobicContact CZ-CE1 4.46Å; F224-Y231 AromaticContact CZ-CG 3.43Å; F224-Y231 HydrophobicContact CZ-CG 3.43Å; F224-Y231 VanDerWaalsContact CZ-CG 3.43Å; F224-Y231 PolarHBondContact N-O 2.9Å; F224-Y231 PolarHBondContact O-N 3.34Å; D226-Y231 HydrophobicContact CB-CE2 4.38Å; D226-Y231 WeakPolarHBondContact OD2-CE2 3.3Å; D226-Y231 PolarHBondContact OD2-OH 3.43Å; R229-Y231 HydrophobicContact CB-CD2 4.45Å; R229-Y231 HydrophobicContact CB-CE2 3.73Å; R229-Y231 PolarHBondContact NE-OH 3.21Å; R229-Y231 PolarHBondContact NH2-OH 2.9Å
232	L	96.9	Very high	96.2	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	128.3	171.2	-48.9	-174.1	0	0	0	109	L185 K186 L188 L202 V206 L220 V230 L234	L185-L232 WeakPolarHBondContact CA-O 3.09Å; K186-L232 HydrophobicContact CB-CB 4.22Å; K186-L232 HydrophobicContact CD-CD1 4.22Å; K186-L232 PolarHBondContact N-O 2.92Å; K186-L232 PolarHBondContact O-N 2.78Å; L188-L232 HydrophobicContact CD1-CD1 4.3Å; L188-L232 HydrophobicContact CD1-CG 4.4Å; L202-L232 HydrophobicContact CD1-CD1 4.15Å; V206-L232 HydrophobicContact CG2-CD2 3.6Å; L220-L232 HydrophobicContact CD1-CB 3.91Å; V230-L232 HydrophobicContact CG1-CD2 4.23Å; L232-L234 HydrophobicContact CB-CG 4.25Å
233	I	97.7	Very high	95.8	Very high	4 Å²	4	51 Å²	51	2%	0.021	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	102.1	179.6	-50.2	168.2	0	0	0	107.4	W152 F157 L183 L185 Y221 G222 F224	W152-I233 HydrophobicContact CB-CD1 4.16Å; W152-I233 HydrophobicContact CD2-CD1 3.96Å; W152-I233 HydrophobicContact CG-CD1 3.69Å; F157-I233 HydrophobicContact CE1-CG2 4.42Å; F157-I233 HydrophobicContact CE2-CD1 4.42Å; F157-I233 HydrophobicContact CZ-CD1 3.73Å; F157-I233 HydrophobicContact CZ-CG1 4.17Å; L183-I233 HydrophobicContact CD1-CG2 4Å; L183-I233 HydrophobicContact CD2-CG2 3.8Å; L183-I233 HydrophobicContact CG-CG2 4.36Å; L185-I233 HydrophobicContact CD1-CG1 4.02Å; Y221-I233 HydrophobicContact CD2-CG2 4.24Å; Y221-I233 PolarHBondContact N-O 2.87Å; G222-I233 WeakPolarHBondContact O-CB 3.46Å; G222-I233 PolarHBondContact O-N 2.82Å; F224-I233 HydrophobicContact CD1-CD1 4.03Å; F224-I233 HydrophobicContact CD1-CG1 4.21Å; F224-I233 HydrophobicContact CE1-CD1 4.17Å; F224-I233 HydrophobicContact CE1-CG1 4.07Å
234	L	97.7	Very high	95.4	Very high	13 Å²	13	46.7 Å²	46.7	7%	0.068	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	154.3	-170.8	-63	168.1	0	0	0	111.4	L183 A184 K186 L218 R219 L220 L232	L183-L234 WeakPolarHBondContact CB-O 3.15Å; A184-L234 HydrophobicContact CB-CB 4.2Å; A184-L234 PolarHBondContact N-O 2.84Å; A184-L234 PolarHBondContact O-N 3.21Å; K186-L234 HydrophobicContact CB-CD1 3.77Å; K186-L234 HydrophobicContact CD-CD1 4.07Å; L218-L234 HydrophobicContact CD2-CB 4.47Å; R219-L234 CarbonylContact O-C 3.5Å; R219-L234 WeakPolarHBondContact O-CA 3.45Å; L220-L234 HydrophobicContact CB-CD2 4.17Å; L220-L234 HydrophobicContact CD1-CD2 3.65Å; L220-L234 HydrophobicContact CD1-CG 4.44Å; L232-L234 HydrophobicContact CB-CG 4.25Å
235	E	97.8	Very high	95.2	Very high	36 Å²	36	47 Å²	47	17%	0.168	26%	0.259	C	S	.	.			trans	-54.7	138.1	163.1	177.2	177.4	-167	0	0	111.2	L218 R219 Y221 K295	L218-E235 HydrophobicContact CD1-CB 3.9Å; L218-E235 HydrophobicContact CD1-CG 4.09Å; L218-E235 HydrophobicContact CG-CB 4.18Å; R219-E235 HydrophobicContact CB-CB 3.91Å; R219-E235 PolarHBondContact N-OE2 2.96Å; R219-E235 PolarHBondContact O-N 3.01Å; Y221-E235 HydrophobicContact CE2-CB 4.14Å; E235-K295 WeakPolarHBondContact OE1-CE 3.49Å; E235-K295 IonicContact OE1-NZ 3.52Å; E235-K295 PolarHBondContact OE1-NZ 3.16Å; E235-K295 IonicContact OE2-NZ 3.34Å
236	Y	97.9	Very high	95	Very high	55 Å²	55	41.3 Å²	41.3	22%	0.216	23%	0.233	C	C	.	.			trans	-87.4	121.5	174.2	175.6	-126.3	0	0	0	110.1	L163 L173 I182 P238	L163-Y236 HydrophobicContact CD1-CD2 3.69Å; L163-Y236 HydrophobicContact CD1-CE2 3.64Å; L163-Y236 HydrophobicContact CD2-CE2 3.76Å; L163-Y236 HydrophobicContact CG-CE2 4.37Å; L173-Y236 HydrophobicContact CD1-CD1 4.03Å; L173-Y236 HydrophobicContact CD1-CD2 3.87Å; L173-Y236 HydrophobicContact CD1-CE1 3.93Å; L173-Y236 HydrophobicContact CD1-CE2 3.8Å; L173-Y236 HydrophobicContact CD1-CG 3.99Å; I182-Y236 HydrophobicContact CG2-CD1 3.7Å; I182-Y236 HydrophobicContact CG2-CE1 4.31Å; I182-Y236 HydrophobicContact CG2-CG 4.2Å; Y236-P238 HydrophobicContact CD1-CB 4.22Å; Y236-P238 HydrophobicContact CE1-CB 3.6Å; Y236-P238 VanDerWaalsContact O-CD 3.29Å; Y236-P238 WeakPolarHBondContact O-CD 3.21Å
237	A	97.5	Very high	94.7	Very high	11 Å²	11	42.3 Å²	42.3	9%	0.091	24%	0.236	C	C	.	.			trans	-99.2	96.8	173.4	0	0	0	0	0	109.5	L218 R239 G240 L287 L288	L218-A237 HydrophobicContact CD1-CB 4.22Å; A237-R239 VanDerWaalsContact C-N 3.27Å; A237-R239 PolarHBondContact O-N 2.89Å; A237-G240 PolarHBondContact O-N 3.48Å; A237-L287 HydrophobicContact CB-CB 3.6Å; A237-L287 HydrophobicContact CB-CD1 3.9Å; A237-L287 HydrophobicContact CB-CG 4.36Å; A237-L288 CarbonylContact C-O 3.58Å; A237-L288 WeakPolarHBondContact CB-O 3.44Å
238	P	96	Very high	94.6	Very high	60 Å²	60	45.2 Å²	45.2	39%	0.39	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-21.2	-166.6	28	-37.5	0	0	0	114.5	Y236 G240	Y236-P238 HydrophobicContact CD1-CB 4.22Å; Y236-P238 HydrophobicContact CE1-CB 3.6Å; Y236-P238 VanDerWaalsContact O-CD 3.29Å; Y236-P238 WeakPolarHBondContact O-CD 3.21Å; P238-G240 VanDerWaalsContact C-N 3.31Å
239	R	95.5	Very high	94.5	Very high	116 Å²	116	45 Å²	45	44%	0.438	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.5	3.6	179.3	-61.2	-175.9	78.8	-140.4	1.9	112.7	A237 L288 G289	A237-R239 VanDerWaalsContact C-N 3.27Å; A237-R239 PolarHBondContact O-N 2.89Å; R239-L288 HydrophobicContact CB-CB 3.55Å; R239-L288 PolarHBondContact N-O 3.36Å; R239-G289 WeakPolarHBondContact CD-O 3.29Å; R239-G289 WeakPolarHBondContact CG-O 3.44Å
240	G	93.4	Very high	94.3	Very high	30 Å²	30	43.2 Å²	43.2	31%	0.309	23%	0.229	S	C	.	.			trans	73.5	-153.4	170.6	0	0	0	0	0	113.8	A237 P238 L287 L288	A237-G240 PolarHBondContact O-N 3.48Å; P238-G240 VanDerWaalsContact C-N 3.31Å; G240-L287 CarbonylContact O-C 3.35Å; G240-L287 VanDerWaalsContact O-CA 3.29Å; G240-L287 WeakPolarHBondContact O-CA 3.32Å; G240-L288 PolarHBondContact O-N 3.1Å
241	E	91.9	Very high	94.2	Very high	93 Å²	93	44.8 Å²	44.8	44%	0.435	24%	0.241	S	C	.	.	B	Isolated β-bridge	trans	-77.7	136.1	-177.5	-65.2	170.3	-164.2	0	0	111.8	Y243 G244 E245 L287	E241-Y243 PolarHBondContact O-N 3.28Å; E241-G244 PolarHBondContact O-N 3.2Å; E241-E245 PolarHBondContact O-N 3.29Å; E241-L287 HydrophobicContact CB-CD2 4.32Å; E241-L287 HydrophobicContact CG-CD2 3.71Å
242	L	92.6	Very high	94.2	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-60.8	-34.7	174.7	-174.6	71.7	0	0	0	111.4	G244 E245 L246 F252 Y260 L286 L288 L294 F346	L242-G244 PolarHBondContact O-N 3.11Å; L242-E245 WeakPolarHBondContact O-CB 3.32Å; L242-E245 PolarHBondContact O-N 2.9Å; L242-L246 PolarHBondContact O-N 3.39Å; L242-F252 HydrophobicContact CD1-CE2 4.09Å; L242-F252 HydrophobicContact CD1-CZ 4.22Å; L242-F252 HydrophobicContact CG-CE2 4.47Å; L242-Y260 HydrophobicContact CD1-CD2 4.01Å; L242-Y260 HydrophobicContact CD1-CE1 4.43Å; L242-Y260 HydrophobicContact CD1-CE2 3.57Å; L242-L286 HydrophobicContact CB-CB 3.84Å; L242-L286 WeakPolarHBondContact CB-O 3.42Å; L242-L286 HydrophobicContact CD2-CB 3.84Å; L242-L286 HydrophobicContact CD2-CD1 3.68Å; L242-L286 HydrophobicContact CD2-CG 4.43Å; L242-L286 PolarHBondContact N-O 2.57Å; L242-L288 HydrophobicContact CD1-CD1 4.02Å; L242-L288 HydrophobicContact CD1-CD2 3.77Å; L242-L288 HydrophobicContact CD1-CG 4.02Å; L242-L294 HydrophobicContact CD2-CD1 4.1Å; L242-F346 HydrophobicContact CD2-CE1 3.62Å; L242-F346 HydrophobicContact CD2-CE2 4.32Å; L242-F346 HydrophobicContact CD2-CZ 3.33Å; L242-F346 HydrophobicContact CG-CE1 4.33Å; L242-F346 HydrophobicContact CG-CZ 4.43Å
243	Y	87	Confident	94.2	Very high	76 Å²	76	48.2 Å²	48.2	30%	0.298	26%	0.264	S	S	.	.	H	α-helix	trans	-56.2	-48.1	175.6	-176.2	-113.4	0	0	0	112.7	E241 E245 L246 Q247 P283 E284	E241-Y243 PolarHBondContact O-N 3.28Å; Y243-E245 PolarHBondContact O-N 2.71Å; Y243-L246 PolarHBondContact O-N 2.83Å; Y243-Q247 HydrophobicContact CD1-CG 4.29Å; Y243-Q247 HydrophobicContact CD2-CG 4.44Å; Y243-Q247 HydrophobicContact CE1-CG 3.9Å; Y243-Q247 HydrophobicContact CE2-CG 4.07Å; Y243-Q247 WeakPolarHBondContact O-CG 3.43Å; Y243-Q247 PolarHBondContact O-N 2.93Å; Y243-P283 HydrophobicContact CD2-CB 3.71Å; Y243-P283 HydrophobicContact CD2-CG 4.31Å; Y243-P283 HydrophobicContact CG-CB 4.12Å; Y243-P283 PolarHBondContact N-O 2.96Å; Y243-E284 HydrophobicContact CD1-CG 4.46Å; Y243-E284 HydrophobicContact CG-CG 4.28Å
244	G	88.2	Confident	94.2	Very high	41 Å²	41	50.1 Å²	50.1	42%	0.423	27%	0.273	S	S	.	.	H	α-helix	trans	-61.9	-36.2	179	0	0	0	0	0	112.2	E241 L242 R248	E241-G244 PolarHBondContact O-N 3.2Å; L242-G244 PolarHBondContact O-N 3.11Å; G244-R248 WeakPolarHBondContact O-CB 3.49Å; G244-R248 PolarHBondContact O-N 3.31Å
245	E	93.1	Very high	94.1	Very high	25 Å²	25	53.4 Å²	53.4	12%	0.117	29%	0.291	C	S	.	.	H	α-helix	trans	-69.4	-40	175.5	178.6	64.7	178.2	0	0	112.4	E241 L242 Y243 R248 C249 F252 R256 L288	E241-E245 PolarHBondContact O-N 3.29Å; L242-E245 WeakPolarHBondContact O-CB 3.32Å; L242-E245 PolarHBondContact O-N 2.9Å; Y243-E245 PolarHBondContact O-N 2.71Å; E245-R248 PolarHBondContact O-N 3.47Å; E245-R248 IonicContact OE1-CZ 3.7Å; E245-R248 IonicContact OE1-NH2 2.65Å; E245-R248 PolarHBondContact OE1-NH2 3.49Å; E245-R248 IonicContact OE2-CZ 3.76Å; E245-R248 IonicContact OE2-NE 2.9Å; E245-R248 PolarHBondContact OE2-NE 3.4Å; E245-R248 IonicContact OE2-NH2 3.82Å; E245-R248 PolarHBondContact OE2-NH2 3.3Å; E245-C249 PolarHBondContact O-N 2.8Å; E245-F252 HydrophobicContact CG-CE1 4.09Å; E245-F252 HydrophobicContact CG-CZ 4.09Å; E245-R256 IonicContact OE1-CZ 3.36Å; E245-R256 IonicContact OE1-NH1 3.32Å; E245-R256 PolarHBondContact OE1-NH1 3.17Å; E245-R256 IonicContact OE1-NH2 2.91Å; E245-R256 PolarHBondContact OE1-NH2 2.61Å; E245-L288 HydrophobicContact CB-CD1 4.14Å; E245-L288 HydrophobicContact CG-CD1 4.07Å
246	L	93.1	Very high	94.1	Very high	0 Å²	0	54 Å²	54	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-62.7	-47.3	173.7	179.7	65.5	0	0	0	111.1	L242 Y243 R248 C249 G250 F252 E345 F346	L242-L246 PolarHBondContact O-N 3.39Å; Y243-L246 PolarHBondContact O-N 2.83Å; L246-R248 PolarHBondContact O-N 3.03Å; L246-C249 CarbonylContact O-C 3.57Å; L246-C249 PolarHBondContact O-N 3.35Å; L246-C249 VanDerWaalsContact O-N 3.13Å; L246-G250 WeakPolarHBondContact O-CA 3.41Å; L246-G250 PolarHBondContact O-N 3.25Å; L246-F252 HydrophobicContact CB-CE1 4.33Å; L246-F252 HydrophobicContact CB-CE2 4.15Å; L246-F252 HydrophobicContact CB-CZ 3.73Å; L246-F252 HydrophobicContact CD1-CD1 4.28Å; L246-F252 HydrophobicContact CD1-CD2 4.03Å; L246-F252 HydrophobicContact CD1-CE1 4.14Å; L246-F252 HydrophobicContact CD1-CE2 3.89Å; L246-F252 HydrophobicContact CD1-CG 4.23Å; L246-F252 HydrophobicContact CD1-CZ 3.95Å; L246-F252 HydrophobicContact CG-CZ 4.46Å; L246-E345 HydrophobicContact CD2-CG 3.73Å; L246-F346 HydrophobicContact CD1-CD1 4.48Å; L246-F346 HydrophobicContact CD2-CD1 4.3Å
247	Q	89.9	Confident	94.1	Very high	67 Å²	67	51.4 Å²	51.4	31%	0.313	28%	0.281	S	S	.	.	H	α-helix	trans	-59.5	-37	177.5	-69	-57.7	-53.6	0	0	112.2	Y243	Y243-Q247 HydrophobicContact CD1-CG 4.29Å; Y243-Q247 HydrophobicContact CD2-CG 4.44Å; Y243-Q247 HydrophobicContact CE1-CG 3.9Å; Y243-Q247 HydrophobicContact CE2-CG 4.07Å; Y243-Q247 WeakPolarHBondContact O-CG 3.43Å; Y243-Q247 PolarHBondContact O-N 2.93Å
248	R	93.6	Very high	94.2	Very high	165 Å²	165	50.9 Å²	50.9	62%	0.623	28%	0.277	S	S	*	.	H	α-helix	trans	-68.3	-37.5	176.9	-170.9	-171.4	66.3	73.4	-1	112.4	G244 E245 L246	G244-R248 WeakPolarHBondContact O-CB 3.49Å; G244-R248 PolarHBondContact O-N 3.31Å; E245-R248 PolarHBondContact O-N 3.47Å; E245-R248 IonicContact OE1-CZ 3.7Å; E245-R248 IonicContact OE1-NH2 2.65Å; E245-R248 PolarHBondContact OE1-NH2 3.49Å; E245-R248 IonicContact OE2-CZ 3.76Å; E245-R248 IonicContact OE2-NE 2.9Å; E245-R248 PolarHBondContact OE2-NE 3.4Å; E245-R248 IonicContact OE2-NH2 3.82Å; E245-R248 PolarHBondContact OE2-NH2 3.3Å; L246-R248 PolarHBondContact O-N 3.03Å
249	C	93.9	Very high	94.3	Very high	51 Å²	51	48.7 Å²	48.7	35%	0.345	26%	0.262	S	S	.	.	H	α-helix	trans	-84.7	-20.9	179.9	-72.1	0	0	0	0	113.5	E245 L246 S251 F252	E245-C249 PolarHBondContact O-N 2.8Å; L246-C249 CarbonylContact O-C 3.57Å; L246-C249 PolarHBondContact O-N 3.35Å; L246-C249 VanDerWaalsContact O-N 3.13Å; C249-S251 WeakPolarHBondContact CB-O 3.39Å; C249-S251 PolarHBondContact O-N 3.3Å; C249-F252 HydrophobicContact CB-CD1 4.03Å; C249-F252 HydrophobicContact CB-CE1 3.95Å
250	G	93.3	Very high	94.4	Very high	42 Å²	42	43.6 Å²	43.6	43%	0.433	24%	0.243	S	C	.	.	S	Bend	trans	79.8	-59.7	-168.1	0	0	0	0	0	110.9	L246 G349	L246-G250 WeakPolarHBondContact O-CA 3.41Å; L246-G250 PolarHBondContact O-N 3.25Å; G250-G349 WeakPolarHBondContact O-CA 3.32Å
251	S	94.8	Very high	94.6	Very high	53 Å²	53	42.1 Å²	42.1	37%	0.371	23%	0.228	S	C	.	.	S	Bend	trans	-144.5	169.5	170.8	62.6	0	0	0	0	110.5	C249 F346 L347	C249-S251 WeakPolarHBondContact CB-O 3.39Å; C249-S251 PolarHBondContact O-N 3.3Å; S251-F346 WeakPolarHBondContact CB-O 3.19Å; S251-L347 WeakPolarHBondContact CB-O 3.45Å
252	F	96.2	Very high	94.9	Very high	11 Å²	11	37.9 Å²	37.9	5%	0.048	21%	0.208	C	C	.	.			trans	-102.8	152.6	173.5	-60.8	-33.7	0	0	0	111	L242 E245 L246 C249 R256 Y260 F346	L242-F252 HydrophobicContact CD1-CE2 4.09Å; L242-F252 HydrophobicContact CD1-CZ 4.22Å; L242-F252 HydrophobicContact CG-CE2 4.47Å; E245-F252 HydrophobicContact CG-CE1 4.09Å; E245-F252 HydrophobicContact CG-CZ 4.09Å; L246-F252 HydrophobicContact CB-CE1 4.33Å; L246-F252 HydrophobicContact CB-CE2 4.15Å; L246-F252 HydrophobicContact CB-CZ 3.73Å; L246-F252 HydrophobicContact CD1-CD1 4.28Å; L246-F252 HydrophobicContact CD1-CD2 4.03Å; L246-F252 HydrophobicContact CD1-CE1 4.14Å; L246-F252 HydrophobicContact CD1-CE2 3.89Å; L246-F252 HydrophobicContact CD1-CG 4.23Å; L246-F252 HydrophobicContact CD1-CZ 3.95Å; L246-F252 HydrophobicContact CG-CZ 4.46Å; C249-F252 HydrophobicContact CB-CD1 4.03Å; C249-F252 HydrophobicContact CB-CE1 3.95Å; F252-R256 HydrophobicContact CB-CB 4.32Å; F252-R256 HydrophobicContact CB-CG 4.35Å; F252-R256 HydrophobicContact CG-CG 4.37Å; F252-Y260 HydrophobicContact CD2-CD2 4.07Å; F252-Y260 HydrophobicContact CD2-CE2 4.06Å; F252-Y260 HydrophobicContact CE2-CD2 4.04Å; F252-Y260 AromaticContact CE2-CE2 3.81Å; F252-Y260 HydrophobicContact CE2-CE2 3.81Å; F252-Y260 HydrophobicContact CZ-CE2 4.28Å; F252-F346 HydrophobicContact CD2-CB 3.86Å; F252-F346 AromaticContact CD2-CD1 3.85Å; F252-F346 HydrophobicContact CD2-CD1 3.85Å; F252-F346 AromaticContact CD2-CG 3.82Å; F252-F346 HydrophobicContact CD2-CG 3.82Å; F252-F346 AromaticContact CE2-CD1 3.8Å; F252-F346 HydrophobicContact CE2-CD1 3.8Å; F252-F346 HydrophobicContact CE2-CE1 4.2Å; F252-F346 HydrophobicContact CE2-CG 4.22Å; F252-F346 PolarHBondContact N-O 2.85Å
253	S	96.8	Very high	95.2	Very high	64 Å²	64	38.3 Å²	38.3	45%	0.448	21%	0.21	S	C	.	.			trans	-67.8	162.6	168.7	53.6	0	0	0	0	111.1	D255 R256 T257	S253-D255 WeakPolarHBondContact CB-OD1 3.26Å; S253-D255 PolarHBondContact O-N 3Å; S253-D255 PolarHBondContact OG-OD1 3.03Å; S253-R256 PolarHBondContact O-N 3.25Å; S253-T257 WeakPolarHBondContact O-CB 3.5Å; S253-T257 PolarHBondContact O-N 2.91Å; S253-T257 PolarHBondContact O-OG1 3.06Å
254	E	97.3	Very high	95.7	Very high	43 Å²	43	34.7 Å²	34.7	20%	0.201	20%	0.196	C	C	.	.	H	α-helix	trans	-64.5	-38.2	-176.6	-65	-151.1	161.3	0	0	112.9	T257 A258 L347 S379 W408	E254-T257 PolarHBondContact O-N 3.28Å; E254-A258 VanDerWaalsContact O-CB 3.23Å; E254-A258 WeakPolarHBondContact O-CB 3.26Å; E254-A258 PolarHBondContact O-N 3.04Å; E254-L347 HydrophobicContact CG-CD2 3.92Å; E254-S379 VanDerWaalsContact CD-OG 3.27Å; E254-S379 WeakPolarHBondContact OE1-CB 3.36Å; E254-S379 PolarHBondContact OE1-N 3.11Å; E254-S379 PolarHBondContact OE1-OG 3.26Å; E254-S379 VanDerWaalsContact OE1-OG 3.08Å; E254-S379 VanDerWaalsContact OE2-CB 3.22Å; E254-S379 WeakPolarHBondContact OE2-CB 3.36Å; E254-S379 PolarHBondContact OE2-OG 3.07Å; E254-W408 HydrophobicContact CB-CZ2 3.89Å; E254-W408 HydrophobicContact CG-CZ2 4.27Å; E254-W408 PolarHBondContact OE2-NE1 2.85Å
255	D	97.3	Very high	96.2	Very high	82 Å²	82	32.7 Å²	32.7	44%	0.439	18%	0.176	S	C	.	.	H	α-helix	trans	-61.4	-45.6	176.1	62.6	-47.2	0	0	0	112.1	S253 T259 C412	S253-D255 WeakPolarHBondContact CB-OD1 3.26Å; S253-D255 PolarHBondContact O-N 3Å; S253-D255 PolarHBondContact OG-OD1 3.03Å; D255-T259 WeakPolarHBondContact O-CB 3.17Å; D255-T259 PolarHBondContact O-N 3.41Å; D255-T259 PolarHBondContact O-OG1 3.4Å; D255-C412 WeakPolarHBondContact CA-O 3.38Å
256	R	97.3	Very high	96.4	Very high	50 Å²	50	31.6 Å²	31.6	19%	0.189	17%	0.171	C	C	.	.	H	α-helix	trans	-67.4	-41.9	177	-173	176.7	-171.9	-178.2	5.5	111.1	E245 F252 S253 T259 Y260	E245-R256 IonicContact OE1-CZ 3.36Å; E245-R256 IonicContact OE1-NH1 3.32Å; E245-R256 PolarHBondContact OE1-NH1 3.17Å; E245-R256 IonicContact OE1-NH2 2.91Å; E245-R256 PolarHBondContact OE1-NH2 2.61Å; F252-R256 HydrophobicContact CB-CB 4.32Å; F252-R256 HydrophobicContact CB-CG 4.35Å; F252-R256 HydrophobicContact CG-CG 4.37Å; S253-R256 PolarHBondContact O-N 3.25Å; R256-T259 PolarHBondContact O-N 2.75Å; R256-Y260 HydrophobicContact CG-CD2 4.13Å; R256-Y260 HydrophobicContact CG-CE2 3.66Å; R256-Y260 PolarHBondContact NE-OH 3.43Å; R256-Y260 VanDerWaalsContact NE-OH 3.17Å; R256-Y260 PolarHBondContact NH2-OH 2.99Å; R256-Y260 WeakPolarHBondContact O-CD2 3.2Å; R256-Y260 PolarHBondContact O-N 3.14Å
257	T	98	Very high	96.6	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-61.7	-53.2	176.5	-59.6	0	0	0	0	110.7	S253 E254 T259 Y260 I261 F346 L347 W408	S253-T257 WeakPolarHBondContact O-CB 3.5Å; S253-T257 PolarHBondContact O-N 2.91Å; S253-T257 PolarHBondContact O-OG1 3.06Å; E254-T257 PolarHBondContact O-N 3.28Å; T257-T259 PolarHBondContact O-N 3.16Å; T257-Y260 PolarHBondContact O-N 3.17Å; T257-Y260 VanDerWaalsContact O-N 3.12Å; T257-I261 HydrophobicContact CG2-CG1 4.2Å; T257-I261 VanDerWaalsContact O-CG1 3.32Å; T257-I261 WeakPolarHBondContact O-CG1 3.4Å; T257-I261 PolarHBondContact O-N 3.33Å; T257-F346 HydrophobicContact CG2-CB 3.71Å; T257-F346 HydrophobicContact CG2-CD2 4.1Å; T257-F346 HydrophobicContact CG2-CG 4.44Å; T257-L347 HydrophobicContact CG2-CD2 3.98Å; T257-L347 HydrophobicContact CG2-CG 3.94Å; T257-W408 HydrophobicContact CG2-CH2 3.77Å
258	A	98.3	Very high	96.9	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-58.5	-38.8	179.3	0	0	0	0	0	111.5	E254 I261 M262 W408 C412	E254-A258 VanDerWaalsContact O-CB 3.23Å; E254-A258 WeakPolarHBondContact O-CB 3.26Å; E254-A258 PolarHBondContact O-N 3.04Å; A258-I261 PolarHBondContact O-N 3.11Å; A258-M262 WeakPolarHBondContact O-CB 3.42Å; A258-M262 PolarHBondContact O-N 2.83Å; A258-W408 HydrophobicContact CB-CE3 4.37Å; A258-W408 HydrophobicContact CB-CH2 3.87Å; A258-W408 HydrophobicContact CB-CZ2 4.21Å; A258-W408 HydrophobicContact CB-CZ3 3.95Å; A258-C412 HydrophobicContact CB-CB 3.53Å
259	T	98.2	Very high	97.1	Very high	13 Å²	13	21.8 Å²	21.8	8%	0.08	13%	0.132	C	C	.	.	H	α-helix	trans	-61.1	-47.7	174.4	-60.7	0	0	0	0	111.9	D255 R256 T257 M262 E263 T414 K415	D255-T259 WeakPolarHBondContact O-CB 3.17Å; D255-T259 PolarHBondContact O-N 3.41Å; D255-T259 PolarHBondContact O-OG1 3.4Å; R256-T259 PolarHBondContact O-N 2.75Å; T257-T259 PolarHBondContact O-N 3.16Å; T259-M262 WeakPolarHBondContact O-CB 3.35Å; T259-M262 PolarHBondContact O-N 3.43Å; T259-E263 WeakPolarHBondContact O-CG 3.37Å; T259-E263 PolarHBondContact O-N 3.23Å; T259-T414 WeakPolarHBondContact CG2-OG1 3.23Å; T259-T414 PolarHBondContact OG1-N 3.41Å; T259-T414 PolarHBondContact OG1-OG1 2.92Å; T259-K415 HydrophobicContact CG2-CB 4.34Å; T259-K415 HydrophobicContact CG2-CG 3.61Å
260	Y	98.2	Very high	97.2	Very high	9 Å²	9	20.9 Å²	20.9	4%	0.035	12%	0.121	C	C	.	.	H	α-helix	trans	-67.6	-35.7	176.8	-69.6	-33	0	0	0	113.1	L242 F252 R256 T257 E263 L264 L288 L294	L242-Y260 HydrophobicContact CD1-CD2 4.01Å; L242-Y260 HydrophobicContact CD1-CE1 4.43Å; L242-Y260 HydrophobicContact CD1-CE2 3.57Å; F252-Y260 HydrophobicContact CD2-CD2 4.07Å; F252-Y260 HydrophobicContact CD2-CE2 4.06Å; F252-Y260 HydrophobicContact CE2-CD2 4.04Å; F252-Y260 AromaticContact CE2-CE2 3.81Å; F252-Y260 HydrophobicContact CE2-CE2 3.81Å; F252-Y260 HydrophobicContact CZ-CE2 4.28Å; R256-Y260 HydrophobicContact CG-CD2 4.13Å; R256-Y260 HydrophobicContact CG-CE2 3.66Å; R256-Y260 PolarHBondContact NE-OH 3.43Å; R256-Y260 VanDerWaalsContact NE-OH 3.17Å; R256-Y260 PolarHBondContact NH2-OH 2.99Å; R256-Y260 WeakPolarHBondContact O-CD2 3.2Å; R256-Y260 PolarHBondContact O-N 3.14Å; T257-Y260 PolarHBondContact O-N 3.17Å; T257-Y260 VanDerWaalsContact O-N 3.12Å; Y260-E263 PolarHBondContact O-N 3.18Å; Y260-L264 WeakPolarHBondContact O-CB 3.3Å; Y260-L264 PolarHBondContact O-N 3.01Å; Y260-L288 HydrophobicContact CE1-CD2 3.79Å; Y260-L294 HydrophobicContact CD1-CB 3.93Å; Y260-L294 HydrophobicContact CD1-CD1 4.21Å; Y260-L294 HydrophobicContact CE1-CB 4.41Å; Y260-L294 HydrophobicContact CG-CD1 4.26Å
261	I	98.4	Very high	97.3	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-65.3	-40.9	174.7	-67.5	-60.7	0	0	0	110.9	T257 A258 A265 L339 C343 F346 L385 V403 V409	T257-I261 HydrophobicContact CG2-CG1 4.2Å; T257-I261 VanDerWaalsContact O-CG1 3.32Å; T257-I261 WeakPolarHBondContact O-CG1 3.4Å; T257-I261 PolarHBondContact O-N 3.33Å; A258-I261 PolarHBondContact O-N 3.11Å; I261-A265 WeakPolarHBondContact O-CB 3.2Å; I261-A265 PolarHBondContact O-N 3.33Å; I261-L339 HydrophobicContact CD1-CD1 3.67Å; I261-L339 HydrophobicContact CD1-CG 4.34Å; I261-L339 HydrophobicContact CG2-CD1 4.41Å; I261-C343 HydrophobicContact CD1-CB 3.61Å; I261-C343 HydrophobicContact CG1-CB 4.07Å; I261-F346 HydrophobicContact CD1-CD2 4.49Å; I261-F346 HydrophobicContact CD1-CE2 4.46Å; I261-L385 HydrophobicContact CG2-CD2 4.14Å; I261-V403 HydrophobicContact CG2-CG1 3.93Å; I261-V409 HydrophobicContact CG2-CG2 4.24Å
262	M	98.2	Very high	97.3	Very high	3 Å²	3	18 Å²	18	2%	0.015	9%	0.091	C	C	.	.	H	α-helix	trans	-59.2	-53.9	173.5	-179.8	66	82.6	0	0	111.2	A258 T259 L264 A265 D266 L404 V409 L410 S413 K415 P417	A258-M262 WeakPolarHBondContact O-CB 3.42Å; A258-M262 PolarHBondContact O-N 2.83Å; T259-M262 WeakPolarHBondContact O-CB 3.35Å; T259-M262 PolarHBondContact O-N 3.43Å; M262-L264 VanDerWaalsContact C-N 3.33Å; M262-L264 PolarHBondContact O-N 2.74Å; M262-A265 PolarHBondContact O-N 3.43Å; M262-D266 WeakPolarHBondContact O-CB 3.16Å; M262-D266 PolarHBondContact O-N 3.47Å; M262-L404 HydrophobicContact SD-CD2 3.69Å; M262-V409 HydrophobicContact CB-CG1 4.09Å; M262-V409 HydrophobicContact CE-CG1 3.6Å; M262-V409 HydrophobicContact SD-CG1 4.3Å; M262-L410 HydrophobicContact CE-CD2 4.12Å; M262-S413 WeakPolarHBondContact CB-OG 3.41Å; M262-K415 HydrophobicContact CG-CB 4.26Å; M262-P417 HydrophobicContact SD-CB 4.17Å; M262-P417 HydrophobicContact SD-CG 4.2Å
263	E	97.9	Very high	97.2	Very high	9 Å²	9	21.7 Å²	21.7	4%	0.042	11%	0.114	C	C	.	.	H	α-helix	trans	-61	-40.2	-178.9	-74.2	-176.1	147.2	0	0	112.8	N216 T259 Y260 A267 E293 L294 K415	N216-E263 HydrophobicContact CB-CB 4.39Å; N216-E263 WeakPolarHBondContact CB-O 3.46Å; N216-E263 WeakPolarHBondContact ND2-CB 3.47Å; N216-E263 WeakPolarHBondContact ND2-CG 3.34Å; T259-E263 WeakPolarHBondContact O-CG 3.37Å; T259-E263 PolarHBondContact O-N 3.23Å; Y260-E263 PolarHBondContact O-N 3.18Å; E263-A267 PolarHBondContact O-N 2.8Å; E263-E293 WeakPolarHBondContact OE1-CB 3.39Å; E263-L294 HydrophobicContact CB-CB 4.17Å; E263-L294 WeakPolarHBondContact OE2-CB 3.47Å; E263-L294 PolarHBondContact OE2-N 2.87Å; E263-K415 HydrophobicContact CG-CG 4.27Å
264	L	97.8	Very high	97	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-70.3	-42.8	177.8	-179.1	56.3	0	0	0	111.5	Y260 M262 A267 L268 I281 L286 L294 I296 L339 L342	Y260-L264 WeakPolarHBondContact O-CB 3.3Å; Y260-L264 PolarHBondContact O-N 3.01Å; M262-L264 VanDerWaalsContact C-N 3.33Å; M262-L264 PolarHBondContact O-N 2.74Å; L264-A267 PolarHBondContact O-N 3Å; L264-L268 HydrophobicContact CD1-CD1 4.18Å; L264-L268 HydrophobicContact CD1-CG 4.23Å; L264-L268 HydrophobicContact CG-CD1 4.1Å; L264-L268 WeakPolarHBondContact O-CB 3.47Å; L264-L268 VanDerWaalsContact O-CG 3.31Å; L264-L268 WeakPolarHBondContact O-CG 3.16Å; L264-L268 PolarHBondContact O-N 2.71Å; L264-I281 HydrophobicContact CD1-CD1 4.32Å; L264-I281 HydrophobicContact CD1-CG2 4.43Å; L264-I281 HydrophobicContact CD2-CG2 4.08Å; L264-L286 HydrophobicContact CD1-CD2 4.12Å; L264-L286 HydrophobicContact CD2-CD1 4.38Å; L264-L294 HydrophobicContact CB-CD1 4.26Å; L264-L294 HydrophobicContact CB-CD2 4.15Å; L264-L294 HydrophobicContact CD1-CD2 4.22Å; L264-I296 HydrophobicContact CD1-CD1 3.6Å; L264-I296 HydrophobicContact CD1-CG1 3.67Å; L264-L339 HydrophobicContact CB-CD1 4.14Å; L264-L339 HydrophobicContact CD2-CD1 3.45Å; L264-L339 VanDerWaalsContact CD2-CD1 3.45Å; L264-L339 HydrophobicContact CG-CD1 3.71Å; L264-L342 HydrophobicContact CD2-CD1 3.5Å
265	A	98.1	Very high	96.7	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-65.1	-40	178.5	0	0	0	0	0	112	I261 M262 L268 H269 L339 I400 V403 L404	I261-A265 WeakPolarHBondContact O-CB 3.2Å; I261-A265 PolarHBondContact O-N 3.33Å; M262-A265 PolarHBondContact O-N 3.43Å; A265-L268 PolarHBondContact O-N 2.86Å; A265-H269 WeakPolarHBondContact O-CB 3.17Å; A265-H269 PolarHBondContact O-N 3.41Å; A265-L339 HydrophobicContact CB-CD2 4.2Å; A265-I400 HydrophobicContact CB-CD1 3.79Å; A265-I400 HydrophobicContact CB-CG1 4.44Å; A265-I400 WeakPolarHBondContact O-CG1 3.23Å; A265-V403 HydrophobicContact CB-CB 4.44Å; A265-V403 HydrophobicContact CB-CG1 3.98Å; A265-L404 HydrophobicContact CB-CD2 3.6Å; A265-L404 HydrophobicContact CB-CG 4.26Å
266	D	97.9	Very high	96.5	Very high	2 Å²	2	20.9 Å²	20.9	1%	0.011	10%	0.103	C	C	.	.	H	α-helix	trans	-61.1	-46.6	176.5	-164.5	43.6	0	0	0	110.8	H214 M262 L268 H269 Y270 L404 T418 T419	H214-D266 IonicContact CE1-OD2 3.85Å; H214-D266 PolarHBondContact CE1-OD2 3.44Å; H214-D266 IonicContact NE2-OD2 3.73Å; H214-D266 PolarHBondContact NE2-OD2 2.84Å; M262-D266 WeakPolarHBondContact O-CB 3.16Å; M262-D266 PolarHBondContact O-N 3.47Å; D266-L268 PolarHBondContact O-N 2.95Å; D266-H269 PolarHBondContact O-N 3.22Å; D266-Y270 PolarHBondContact O-N 3.04Å; D266-L404 HydrophobicContact CB-CD2 4.37Å; D266-T418 VanDerWaalsContact CG-N 3.29Å; D266-T418 PolarHBondContact OD1-N 3.38Å; D266-T418 WeakPolarHBondContact OD2-CB 3.33Å; D266-T418 PolarHBondContact OD2-N 2.91Å; D266-T418 PolarHBondContact OD2-OG1 3.35Å; D266-T419 WeakPolarHBondContact OD1-CG2 3.32Å; D266-T419 PolarHBondContact OD1-N 3.37Å; D266-T419 PolarHBondContact OD1-OG1 2.79Å
267	A	97.6	Very high	96.2	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-64.7	-39.5	175.4	0	0	0	0	0	113.8	H214 N216 I217 E263 L264 Y270 C271 I296	H214-A267 PolarHBondContact CE1-N 3.25Å; N216-A267 HydrophobicContact CB-CB 3.95Å; I217-A267 HydrophobicContact CD1-CB 4.35Å; I217-A267 HydrophobicContact CG1-CB 3.86Å; E263-A267 PolarHBondContact O-N 2.8Å; L264-A267 PolarHBondContact O-N 3Å; A267-Y270 PolarHBondContact O-N 3.48Å; A267-C271 PolarHBondContact O-N 3.35Å; A267-C271 PolarHBondContact O-SG 3.27Å; A267-I296 HydrophobicContact CB-CD1 3.55Å; A267-I296 HydrophobicContact CB-CG1 4.21Å
268	L	96.8	Very high	95.8	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-68.7	-42.1	177.6	-74.9	174.4	0	0	0	111.4	L264 A265 D266 Y270 C271 H272 H278 I281 I296 D335 I400	L264-L268 HydrophobicContact CD1-CD1 4.18Å; L264-L268 HydrophobicContact CD1-CG 4.23Å; L264-L268 HydrophobicContact CG-CD1 4.1Å; L264-L268 WeakPolarHBondContact O-CB 3.47Å; L264-L268 VanDerWaalsContact O-CG 3.31Å; L264-L268 WeakPolarHBondContact O-CG 3.16Å; L264-L268 PolarHBondContact O-N 2.71Å; A265-L268 PolarHBondContact O-N 2.86Å; D266-L268 PolarHBondContact O-N 2.95Å; L268-Y270 VanDerWaalsContact C-N 3.32Å; L268-Y270 PolarHBondContact O-N 2.97Å; L268-C271 WeakPolarHBondContact O-CB 3.49Å; L268-C271 PolarHBondContact O-N 2.81Å; L268-H272 WeakPolarHBondContact O-CB 3.42Å; L268-H272 PolarHBondContact O-CD2 3.02Å; L268-H272 VanDerWaalsContact O-CD2 3.26Å; L268-H272 VanDerWaalsContact O-CG 3.22Å; L268-H272 PolarHBondContact O-N 2.83Å; L268-H278 HydrophobicContact CD2-CB 4.31Å; L268-I281 HydrophobicContact CD2-CD1 4Å; L268-I281 HydrophobicContact CD2-CG1 4.14Å; L268-I296 HydrophobicContact CD2-CD1 4.2Å; L268-I296 HydrophobicContact CG-CD1 4.29Å; L268-D335 HydrophobicContact CD1-CB 4.15Å; L268-D335 HydrophobicContact CD2-CB 4.01Å; L268-I400 HydrophobicContact CB-CD1 4.2Å
269	H	97.1	Very high	95.3	Very high	25 Å²	25	19.8 Å²	19.8	12%	0.116	10%	0.1	C	C	.	.	H	α-helix	trans	-57.7	-46.8	173.3	179.6	75.6	0	0	0	110.6	A265 D266 C271 H272 T273 I400 E401 L404 T419	A265-H269 WeakPolarHBondContact O-CB 3.17Å; A265-H269 PolarHBondContact O-N 3.41Å; D266-H269 PolarHBondContact O-N 3.22Å; H269-C271 VanDerWaalsContact C-N 3.31Å; H269-C271 PolarHBondContact O-N 2.88Å; H269-H272 PolarHBondContact O-N 2.86Å; H269-H272 VanDerWaalsContact O-N 3.15Å; H269-T273 WeakPolarHBondContact O-CG2 3.45Å; H269-T273 PolarHBondContact O-N 2.84Å; H269-T273 PolarHBondContact O-OG1 3.01Å; H269-I400 HydrophobicContact CB-CG1 3.86Å; H269-I400 HydrophobicContact CB-CG2 3.94Å; H269-I400 WeakPolarHBondContact ND1-CG2 3.44Å; H269-E401 IonicContact CE1-OE1 3.07Å; H269-E401 PolarHBondContact CE1-OE1 3Å; H269-E401 IonicContact ND1-OE1 3.01Å; H269-E401 PolarHBondContact ND1-OE1 3.4Å; H269-L404 HydrophobicContact CB-CD1 4.36Å; H269-T419 PolarHBondContact CD2-OG1 2.52Å; H269-T419 VanDerWaalsContact CD2-OG1 3.23Å
270	Y	96.7	Very high	94.8	Very high	32 Å²	32	19.4 Å²	19.4	13%	0.125	10%	0.097	C	C	.	.	H	α-helix	trans	-56.7	-40.3	172.4	174.6	-92.9	0	0	0	113.5	L212 R213 H214 I217 D266 A267 L268 T273 K274	L212-Y270 HydrophobicContact CB-CE1 4.09Å; L212-Y270 HydrophobicContact CD2-CD1 4.38Å; L212-Y270 HydrophobicContact CD2-CE1 3.7Å; L212-Y270 HydrophobicContact CG-CE1 4.47Å; R213-Y270 PolarHBondContact N-OH 2.84Å; R213-Y270 WeakPolarHBondContact O-CE2 3.3Å; R213-Y270 VanDerWaalsContact O-CZ 3.23Å; R213-Y270 PolarHBondContact O-OH 3.13Å; H214-Y270 HydrophobicContact CB-CD1 3.87Å; H214-Y270 HydrophobicContact CB-CE1 4.15Å; H214-Y270 HydrophobicContact CB-CG 4.11Å; H214-Y270 AromaticContact CD2-CG 3.77Å; I217-Y270 HydrophobicContact CD1-CD1 3.7Å; I217-Y270 HydrophobicContact CD1-CE1 4.16Å; D266-Y270 PolarHBondContact O-N 3.04Å; A267-Y270 PolarHBondContact O-N 3.48Å; L268-Y270 VanDerWaalsContact C-N 3.32Å; L268-Y270 PolarHBondContact O-N 2.97Å; Y270-T273 PolarHBondContact O-OG1 3.37Å; Y270-K274 HydrophobicContact CE1-CD 3.96Å; Y270-K274 HydrophobicContact CE2-CD 4.34Å; Y270-K274 VanDerWaalsContact CZ-CE 3.42Å; Y270-K274 PolarHBondContact O-N 3.34Å; Y270-K274 WeakPolarHBondContact OH-CE 3.35Å; Y270-K274 PolarHBondContact OH-NZ 3.19Å
271	C	95.3	Very high	94.4	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-65.5	-44.6	175.9	-68.5	0	0	0	0	111.4	I217 A267 L268 H269 K274 N275 V276	I217-C271 WeakPolarHBondContact CD1-SG 3.28Å; A267-C271 PolarHBondContact O-N 3.35Å; A267-C271 PolarHBondContact O-SG 3.27Å; L268-C271 WeakPolarHBondContact O-CB 3.49Å; L268-C271 PolarHBondContact O-N 2.81Å; H269-C271 VanDerWaalsContact C-N 3.31Å; H269-C271 PolarHBondContact O-N 2.88Å; C271-K274 CarbonylContact O-C 3.58Å; C271-K274 WeakPolarHBondContact O-CA 3.12Å; C271-K274 WeakPolarHBondContact O-CB 3.33Å; C271-K274 PolarHBondContact O-N 2.83Å; C271-N275 PolarHBondContact O-N 2.88Å; C271-V276 CarbonylContact C-O 3.55Å; C271-V276 HydrophobicContact CB-CB 4.15Å; C271-V276 HydrophobicContact CB-CG1 4.37Å; C271-V276 WeakPolarHBondContact CB-O 3.41Å; C271-V276 WeakPolarHBondContact O-CB 3.22Å; C271-V276 PolarHBondContact O-N 3.34Å
272	H	94.4	Very high	93.8	Very high	34 Å²	34	19.3 Å²	19.3	16%	0.157	10%	0.097	C	C	.	.	H	α-helix	trans	-66.9	-37.4	-176.5	-66.2	-177.4	0	0	0	111.8	L268 H269 K274 N275 V276 D335	L268-H272 WeakPolarHBondContact O-CB 3.42Å; L268-H272 PolarHBondContact O-CD2 3.02Å; L268-H272 VanDerWaalsContact O-CD2 3.26Å; L268-H272 VanDerWaalsContact O-CG 3.22Å; L268-H272 PolarHBondContact O-N 2.83Å; H269-H272 PolarHBondContact O-N 2.86Å; H269-H272 VanDerWaalsContact O-N 3.15Å; H272-K274 PolarHBondContact O-N 3.26Å; H272-N275 WeakPolarHBondContact O-CA 3.35Å; H272-N275 PolarHBondContact O-N 3.07Å; H272-V276 PolarHBondContact CD2-O 3.43Å; H272-D335 IonicContact CD2-OD2 3.48Å; H272-D335 IonicContact CE1-OD2 3.3Å; H272-D335 IonicContact NE2-OD2 3.85Å; H272-D335 PolarHBondContact NE2-OD2 3.13Å
273	T	94.1	Very high	93.1	Very high	89 Å²	89	19.2 Å²	19.2	55%	0.546	10%	0.096	S	C	.	.	H	α-helix	trans	-63.7	-22.2	171.9	60.8	0	0	0	0	113.1	H269 Y270	H269-T273 WeakPolarHBondContact O-CG2 3.45Å; H269-T273 PolarHBondContact O-N 2.84Å; H269-T273 PolarHBondContact O-OG1 3.01Å; Y270-T273 PolarHBondContact O-OG1 3.37Å
274	K	92.7	Very high	92.4	Very high	79 Å²	79	21.9 Å²	21.9	34%	0.343	11%	0.109	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.8	14.2	171.6	-65.7	-166.6	167	-153	0	113.5	H211 L212 Y270 C271 H272 V276 H304	H211-K274 PolarHBondContact O-NZ 2.92Å; L212-K274 HydrophobicContact CD2-CD 3.93Å; Y270-K274 HydrophobicContact CE1-CD 3.96Å; Y270-K274 HydrophobicContact CE2-CD 4.34Å; Y270-K274 VanDerWaalsContact CZ-CE 3.42Å; Y270-K274 PolarHBondContact O-N 3.34Å; Y270-K274 WeakPolarHBondContact OH-CE 3.35Å; Y270-K274 PolarHBondContact OH-NZ 3.19Å; C271-K274 CarbonylContact O-C 3.58Å; C271-K274 WeakPolarHBondContact O-CA 3.12Å; C271-K274 WeakPolarHBondContact O-CB 3.33Å; C271-K274 PolarHBondContact O-N 2.83Å; H272-K274 PolarHBondContact O-N 3.26Å; K274-V276 HydrophobicContact CB-CG2 4.36Å; K274-V276 PolarHBondContact O-N 3.2Å; K274-V276 VanDerWaalsContact O-N 3.14Å; K274-H304 PolarHBondContact O-CE1 3.37Å; K274-H304 PolarHBondContact O-ND1 3.3Å; K274-H304 VanDerWaalsContact O-ND1 3.16Å
275	N	91.1	Very high	92	Very high	89 Å²	89	22.6 Å²	22.6	48%	0.476	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.7	29.4	-177.1	-54.2	105.4	0	0	0	113.7	C271 H272 H304 T305	C271-N275 PolarHBondContact O-N 2.88Å; H272-N275 WeakPolarHBondContact O-CA 3.35Å; H272-N275 PolarHBondContact O-N 3.07Å; N275-H304 CarbonylContact O-C 3.54Å; N275-H304 WeakPolarHBondContact O-CA 3.47Å; N275-T305 PolarHBondContact O-N 2.92Å
276	V	91.6	Very high	91.9	Very high	4 Å²	4	22.6 Å²	22.6	2%	0.024	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	123	176.1	175.9	0	0	0	0	109.2	I208 L212 C271 H272 K274 F299 V303	I208-V276 HydrophobicContact CG2-CG1 3.73Å; I208-V276 HydrophobicContact CG2-CG2 3.91Å; L212-V276 HydrophobicContact CD2-CG2 4.43Å; C271-V276 CarbonylContact C-O 3.55Å; C271-V276 HydrophobicContact CB-CB 4.15Å; C271-V276 HydrophobicContact CB-CG1 4.37Å; C271-V276 WeakPolarHBondContact CB-O 3.41Å; C271-V276 WeakPolarHBondContact O-CB 3.22Å; C271-V276 PolarHBondContact O-N 3.34Å; H272-V276 PolarHBondContact CD2-O 3.43Å; K274-V276 HydrophobicContact CB-CG2 4.36Å; K274-V276 PolarHBondContact O-N 3.2Å; K274-V276 VanDerWaalsContact O-N 3.14Å; V276-F299 HydrophobicContact CG1-CD1 4.47Å; V276-F299 HydrophobicContact CG1-CE1 4.48Å; V276-V303 WeakPolarHBondContact CA-O 3.29Å
277	I	91.2	Very high	91.8	Very high	11 Å²	11	24.1 Å²	24.1	6%	0.056	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	131.5	171.9	-48.7	169.8	0	0	0	108	R279 S302 V303 E332 V334 D335	I277-R279 HydrophobicContact CB-CG 4.15Å; I277-R279 HydrophobicContact CG2-CG 3.51Å; I277-S302 CarbonylContact O-C 3.39Å; I277-S302 WeakPolarHBondContact O-CA 3.45Å; I277-S302 WeakPolarHBondContact O-CB 3.45Å; I277-V303 HydrophobicContact CB-CG2 4.14Å; I277-V303 HydrophobicContact CD1-CG2 4.45Å; I277-V303 PolarHBondContact N-O 2.95Å; I277-V303 PolarHBondContact O-N 3.32Å; I277-E332 HydrophobicContact CD1-CB 4.24Å; I277-E332 HydrophobicContact CG1-CB 3.93Å; I277-V334 HydrophobicContact CG2-CG2 3.93Å; I277-D335 WeakPolarHBondContact CG2-OD2 3.3Å
278	H	91.3	Very high	91.8	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.005	12%	0.121	C	C	.	.			trans	-79.6	-50.6	-175.6	-169.8	-82.8	0	0	0	112.9	L268 D280 I281 I296 A297 D298 F299 W301 D335	L268-H278 HydrophobicContact CD2-CB 4.31Å; H278-D280 PolarHBondContact CE1-O 2.91Å; H278-D280 PolarHBondContact ND1-N 2.85Å; H278-D280 PolarHBondContact O-N 3.26Å; H278-D280 VanDerWaalsContact O-N 3.11Å; H278-I281 HydrophobicContact CB-CD1 3.84Å; H278-I281 HydrophobicContact CB-CG1 3.91Å; H278-I281 VanDerWaalsContact ND1-CD1 3.28Å; H278-I281 WeakPolarHBondContact ND1-CD1 3.39Å; H278-I281 PolarHBondContact ND1-N 3.44Å; H278-I296 VanDerWaalsContact NE2-CG2 3.33Å; H278-I296 WeakPolarHBondContact NE2-CG2 3.48Å; H278-A297 PolarHBondContact NE2-O 3.46Å; H278-D298 PolarHBondContact CE1-O 3.1Å; H278-D298 PolarHBondContact NE2-O 2.91Å; H278-F299 AromaticContact CD2-CE1 3.8Å; H278-F299 AromaticContact CD2-CZ 3.98Å; H278-W301 CarbonylContact O-C 3.41Å; H278-D335 PolarHBondContact N-OD2 3.06Å
279	R	87.7	Confident	91.8	Very high	16 Å²	16	24.2 Å²	24.2	6%	0.06	12%	0.121	C	C	.	.			trans	68.7	-10.1	175.5	-49.6	-170.2	-64.8	160.6	4.9	117.9	I277 W301 V303 M324 H330 V334 D335	I277-R279 HydrophobicContact CB-CG 4.15Å; I277-R279 HydrophobicContact CG2-CG 3.51Å; R279-W301 PolarHBondContact NE-O 2.84Å; R279-W301 PolarHBondContact NH2-O 3.17Å; R279-V303 VanDerWaalsContact NH2-CG1 3.31Å; R279-M324 HydrophobicContact CB-CE 4.3Å; R279-M324 HydrophobicContact CG-CE 4.45Å; R279-H330 PolarHBondContact NH1-NE2 3.19Å; R279-V334 HydrophobicContact CG-CG2 4.06Å; R279-D335 PolarHBondContact N-OD1 3.26Å
280	D	85.8	Confident	91.7	Very high	5 Å²	5	25.3 Å²	25.3	3%	0.027	14%	0.14	C	C	.	.			trans	-130	46.8	175.3	-165.3	34.6	0	0	0	111.5	P59 H278 K282 N285 W301 G315	P59-D280 WeakPolarHBondContact CG-OD2 3.29Å; H278-D280 PolarHBondContact CE1-O 2.91Å; H278-D280 PolarHBondContact ND1-N 2.85Å; H278-D280 PolarHBondContact O-N 3.26Å; H278-D280 VanDerWaalsContact O-N 3.11Å; D280-K282 VanDerWaalsContact CG-NZ 3.34Å; D280-K282 PolarHBondContact O-N 3.06Å; D280-K282 IonicContact OD1-NZ 3.97Å; D280-K282 PolarHBondContact OD1-NZ 2.65Å; D280-K282 IonicContact OD2-NZ 3.08Å; D280-K282 PolarHBondContact OD2-NZ 2.86Å; D280-N285 VanDerWaalsContact CG-ND2 3.28Å; D280-N285 PolarHBondContact O-ND2 3.49Å; D280-N285 PolarHBondContact OD2-ND2 3.04Å; D280-W301 HydrophobicContact CB-CB 4.16Å; D280-W301 HydrophobicContact CB-CG 4.34Å; D280-G315 WeakPolarHBondContact OD1-CA 3.4Å
281	I	91.8	Very high	91.6	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.005	17%	0.173	C	C	.	.			trans	-76.4	116.5	175.6	-64.8	-64.7	0	0	0	109.2	L264 L268 H278 I296 L342	L264-I281 HydrophobicContact CD1-CD1 4.32Å; L264-I281 HydrophobicContact CD1-CG2 4.43Å; L264-I281 HydrophobicContact CD2-CG2 4.08Å; L268-I281 HydrophobicContact CD2-CD1 4Å; L268-I281 HydrophobicContact CD2-CG1 4.14Å; H278-I281 HydrophobicContact CB-CD1 3.84Å; H278-I281 HydrophobicContact CB-CG1 3.91Å; H278-I281 VanDerWaalsContact ND1-CD1 3.28Å; H278-I281 WeakPolarHBondContact ND1-CD1 3.39Å; H278-I281 PolarHBondContact ND1-N 3.44Å; I281-I296 HydrophobicContact CD1-CD1 4.22Å; I281-I296 HydrophobicContact CD1-CG2 4.01Å; I281-L342 HydrophobicContact CG2-CD1 3.37Å
282	K	85.5	Confident	91.5	Very high	6 Å²	6	31.7 Å²	31.7	3%	0.026	18%	0.178	C	C	.	.	S	Bend	trans	-164.1	162.1	-179.4	63.5	-177.2	-178.9	-143.8	0	110.8	D280 E284 N285 L286 T316 Y319	D280-K282 VanDerWaalsContact CG-NZ 3.34Å; D280-K282 PolarHBondContact O-N 3.06Å; D280-K282 IonicContact OD1-NZ 3.97Å; D280-K282 PolarHBondContact OD1-NZ 2.65Å; D280-K282 IonicContact OD2-NZ 3.08Å; D280-K282 PolarHBondContact OD2-NZ 2.86Å; K282-E284 VanDerWaalsContact C-N 3.25Å; K282-E284 WeakPolarHBondContact CB-OE2 3.46Å; K282-E284 VanDerWaalsContact CD-OE2 3.3Å; K282-E284 WeakPolarHBondContact CD-OE2 3.37Å; K282-E284 WeakPolarHBondContact CG-OE2 3.44Å; K282-E284 PolarHBondContact O-N 3.39Å; K282-E284 VanDerWaalsContact O-N 3.13Å; K282-N285 WeakPolarHBondContact CE-ND2 3.42Å; K282-N285 HydrophobicContact CG-CB 4.26Å; K282-N285 PolarHBondContact O-N 3.05Å; K282-L286 WeakPolarHBondContact O-CG 3.39Å; K282-T316 WeakPolarHBondContact CD-OG1 3.2Å; K282-T316 PolarHBondContact NZ-OG1 2.88Å; K282-Y319 HydrophobicContact CB-CD1 4.12Å; K282-Y319 HydrophobicContact CB-CD2 4.12Å; K282-Y319 HydrophobicContact CB-CE1 4.21Å; K282-Y319 HydrophobicContact CB-CE2 4.17Å; K282-Y319 HydrophobicContact CB-CG 4.09Å
283	P	82.4	Confident	91.6	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-56.5	-32.5	-172.5	-28.1	37.6	0	0	0	115.2	Y243 N285 L286 Y319 L342 E345	Y243-P283 HydrophobicContact CD2-CB 3.71Å; Y243-P283 HydrophobicContact CD2-CG 4.31Å; Y243-P283 HydrophobicContact CG-CB 4.12Å; Y243-P283 PolarHBondContact N-O 2.96Å; P283-N285 VanDerWaalsContact C-N 3.3Å; P283-N285 PolarHBondContact O-N 3.25Å; P283-L286 PolarHBondContact O-N 2.72Å; P283-Y319 WeakPolarHBondContact CD-OH 3.3Å; P283-Y319 HydrophobicContact CG-CE1 4.32Å; P283-Y319 WeakPolarHBondContact CG-OH 3.32Å; P283-L342 HydrophobicContact CG-CD2 3.55Å; P283-E345 VanDerWaalsContact CG-OE2 3.22Å; P283-E345 WeakPolarHBondContact CG-OE2 3.41Å
284	E	83.3	Confident	91.8	Very high	66 Å²	66	27.6 Å²	27.6	31%	0.308	15%	0.153	S	C	.	.	G	3₁₀ helix	trans	-72.3	-24.8	-178.8	-52.4	96.1	131.5	0	0	112.7	Y243 K282 L286	Y243-E284 HydrophobicContact CD1-CG 4.46Å; Y243-E284 HydrophobicContact CG-CG 4.28Å; K282-E284 VanDerWaalsContact C-N 3.25Å; K282-E284 WeakPolarHBondContact CB-OE2 3.46Å; K282-E284 VanDerWaalsContact CD-OE2 3.3Å; K282-E284 WeakPolarHBondContact CD-OE2 3.37Å; K282-E284 WeakPolarHBondContact CG-OE2 3.44Å; K282-E284 PolarHBondContact O-N 3.39Å; K282-E284 VanDerWaalsContact O-N 3.13Å; E284-L286 VanDerWaalsContact C-N 3.33Å
285	N	90.4	Very high	92	Very high	14 Å²	14	24.4 Å²	24.4	8%	0.075	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	-94	7.5	176.1	-69.6	-13.7	0	0	0	112.1	D280 K282 P283 A297	D280-N285 VanDerWaalsContact CG-ND2 3.28Å; D280-N285 PolarHBondContact O-ND2 3.49Å; D280-N285 PolarHBondContact OD2-ND2 3.04Å; K282-N285 WeakPolarHBondContact CE-ND2 3.42Å; K282-N285 HydrophobicContact CG-CB 4.26Å; K282-N285 PolarHBondContact O-N 3.05Å; P283-N285 VanDerWaalsContact C-N 3.3Å; P283-N285 PolarHBondContact O-N 3.25Å; N285-A297 WeakPolarHBondContact O-CA 3.29Å; N285-A297 WeakPolarHBondContact O-CB 3.18Å; N285-A297 PolarHBondContact O-N 3.28Å
286	L	95.3	Very high	92.3	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	124.3	176.8	-60.9	175.9	0	0	0	108.8	L242 L264 K282 P283 E284 L294 I296 L342 F346	L242-L286 HydrophobicContact CB-CB 3.84Å; L242-L286 WeakPolarHBondContact CB-O 3.42Å; L242-L286 HydrophobicContact CD2-CB 3.84Å; L242-L286 HydrophobicContact CD2-CD1 3.68Å; L242-L286 HydrophobicContact CD2-CG 4.43Å; L242-L286 PolarHBondContact N-O 2.57Å; L264-L286 HydrophobicContact CD1-CD2 4.12Å; L264-L286 HydrophobicContact CD2-CD1 4.38Å; K282-L286 WeakPolarHBondContact O-CG 3.39Å; P283-L286 PolarHBondContact O-N 2.72Å; E284-L286 VanDerWaalsContact C-N 3.33Å; L286-L294 HydrophobicContact CD1-CD1 4.14Å; L286-L294 HydrophobicContact CD2-CD2 4.1Å; L286-L294 HydrophobicContact CD2-CG 4.42Å; L286-I296 HydrophobicContact CD2-CB 4.46Å; L286-I296 HydrophobicContact CD2-CG1 4.08Å; L286-L342 HydrophobicContact CD1-CD1 3.75Å; L286-L342 HydrophobicContact CD1-CD2 4.38Å; L286-F346 HydrophobicContact CD1-CZ 4.44Å
287	L	96.7	Very high	92.3	Very high	34 Å²	34	20.5 Å²	20.5	18%	0.178	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	163	177.5	-58.2	-178.1	0	0	0	110.9	L218 A237 G240 E241 L294 K295 A297	L218-L287 HydrophobicContact CD1-CD1 4.12Å; L218-L287 HydrophobicContact CD2-CD1 3.86Å; A237-L287 HydrophobicContact CB-CB 3.6Å; A237-L287 HydrophobicContact CB-CD1 3.9Å; A237-L287 HydrophobicContact CB-CG 4.36Å; G240-L287 CarbonylContact O-C 3.35Å; G240-L287 VanDerWaalsContact O-CA 3.29Å; G240-L287 WeakPolarHBondContact O-CA 3.32Å; E241-L287 HydrophobicContact CB-CD2 4.32Å; E241-L287 HydrophobicContact CG-CD2 3.71Å; L287-L294 CarbonylContact O-C 3.6Å; L287-K295 PolarHBondContact N-O 3.26Å; L287-K295 PolarHBondContact O-N 2.9Å; L287-A297 HydrophobicContact CD1-CB 3.94Å; L287-A297 HydrophobicContact CG-CB 3.97Å
288	L	97.4	Very high	91.8	Very high	1 Å²	1	22.2 Å²	22.2	1%	0.005	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	122.9	177.4	-69.1	178.6	0	0	0	111.2	A237 R239 G240 L242 E245 Y260	A237-L288 CarbonylContact C-O 3.58Å; A237-L288 WeakPolarHBondContact CB-O 3.44Å; R239-L288 HydrophobicContact CB-CB 3.55Å; R239-L288 PolarHBondContact N-O 3.36Å; G240-L288 PolarHBondContact O-N 3.1Å; L242-L288 HydrophobicContact CD1-CD1 4.02Å; L242-L288 HydrophobicContact CD1-CD2 3.77Å; L242-L288 HydrophobicContact CD1-CG 4.02Å; E245-L288 HydrophobicContact CB-CD1 4.14Å; E245-L288 HydrophobicContact CG-CD1 4.07Å; Y260-L288 HydrophobicContact CE1-CD2 3.79Å
289	G	96.6	Very high	91.4	Very high	1 Å²	1	22.2 Å²	22.2	1%	0.01	13%	0.129	C	C	.	.			trans	-72.3	-177	175.9	0	0	0	0	0	113.7	R239 N291 G292 E293	R239-G289 WeakPolarHBondContact CD-O 3.29Å; R239-G289 WeakPolarHBondContact CG-O 3.44Å; G289-N291 VanDerWaalsContact C-N 3.3Å; G289-N291 PolarHBondContact O-N 2.73Å; G289-G292 PolarHBondContact O-N 3.43Å; G289-G292 VanDerWaalsContact O-N 3.08Å; G289-E293 WeakPolarHBondContact CA-OE1 3.47Å; G289-E293 PolarHBondContact N-O 3.1Å
290	G	94.8	Very high	90.5	Very high	49 Å²	49	21.9 Å²	21.9	51%	0.505	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-35.9	-173.9	0	0	0	0	0	113.9	G292	G290-G292 VanDerWaalsContact C-N 3.32Å
291	N	93.9	Very high	89.8	Confident	156 Å²	156	23.3 Å²	23.3	83%	0.834	14%	0.136	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.1	6.3	179.8	-54	-39.5	0	0	0	111.8	G289 E293	G289-N291 VanDerWaalsContact C-N 3.3Å; G289-N291 PolarHBondContact O-N 2.73Å; N291-E293 VanDerWaalsContact CA-OE2 3.31Å; N291-E293 WeakPolarHBondContact CA-OE2 3.38Å; N291-E293 VanDerWaalsContact CB-OE2 3.31Å; N291-E293 WeakPolarHBondContact CB-OE2 3.45Å; N291-E293 PolarHBondContact N-OE2 3.16Å
292	G	94.3	Very high	88.8	Confident	10 Å²	10	23.3 Å²	23.3	10%	0.103	14%	0.136	C	C	.	.	S	Bend	trans	82.4	11.7	-177.7	0	0	0	0	0	115.3	G289 G290	G289-G292 PolarHBondContact O-N 3.43Å; G289-G292 VanDerWaalsContact O-N 3.08Å; G290-G292 VanDerWaalsContact C-N 3.32Å
293	E	95.8	Very high	88	Confident	37 Å²	37	23.1 Å²	23.1	17%	0.173	14%	0.135	C	C	.	.			trans	-66.6	138.7	170.6	73.5	-74.9	-175.2	0	0	111.3	E263 G289 N291 K295	E263-E293 WeakPolarHBondContact OE1-CB 3.39Å; G289-E293 WeakPolarHBondContact CA-OE1 3.47Å; G289-E293 PolarHBondContact N-O 3.1Å; N291-E293 VanDerWaalsContact CA-OE2 3.31Å; N291-E293 WeakPolarHBondContact CA-OE2 3.38Å; N291-E293 VanDerWaalsContact CB-OE2 3.31Å; N291-E293 WeakPolarHBondContact CB-OE2 3.45Å; N291-E293 PolarHBondContact N-OE2 3.16Å; E293-K295 VanDerWaalsContact OE1-CE 3.3Å; E293-K295 WeakPolarHBondContact OE1-CE 3.41Å; E293-K295 IonicContact OE1-NZ 2.85Å
294	L	97.5	Very high	87.3	Confident	0 Å²	0	28 Å²	28	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	140.3	176.6	178.2	153.6	0	0	0	110.8	N216 L242 Y260 E263 L264 L286 L287 I296	N216-L294 WeakPolarHBondContact CA-O 3.42Å; N216-L294 VanDerWaalsContact CB-O 3.23Å; N216-L294 WeakPolarHBondContact CB-O 3.09Å; N216-L294 PolarHBondContact ND2-O 3.14Å; L242-L294 HydrophobicContact CD2-CD1 4.1Å; Y260-L294 HydrophobicContact CD1-CB 3.93Å; Y260-L294 HydrophobicContact CD1-CD1 4.21Å; Y260-L294 HydrophobicContact CE1-CB 4.41Å; Y260-L294 HydrophobicContact CG-CD1 4.26Å; E263-L294 HydrophobicContact CB-CB 4.17Å; E263-L294 WeakPolarHBondContact OE2-CB 3.47Å; E263-L294 PolarHBondContact OE2-N 2.87Å; L264-L294 HydrophobicContact CB-CD1 4.26Å; L264-L294 HydrophobicContact CB-CD2 4.15Å; L264-L294 HydrophobicContact CD1-CD2 4.22Å; L286-L294 HydrophobicContact CD1-CD1 4.14Å; L286-L294 HydrophobicContact CD2-CD2 4.1Å; L286-L294 HydrophobicContact CD2-CG 4.42Å; L287-L294 CarbonylContact O-C 3.6Å; L294-I296 HydrophobicContact CD2-CG1 4.29Å
295	K	97.8	Very high	86.1	Confident	12 Å²	12	26.1 Å²	26.1	5%	0.052	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	119.2	174.3	-66.5	-179.9	-177.2	-79.1	0	110.6	P215 N216 L218 E235 L287 E293 A297	P215-K295 PolarHBondContact O-NZ 3.02Å; N216-K295 WeakPolarHBondContact O-CA 3.48Å; L218-K295 HydrophobicContact CB-CB 4.42Å; L218-K295 HydrophobicContact CD1-CB 4.29Å; L218-K295 HydrophobicContact CD1-CD 3.98Å; E235-K295 WeakPolarHBondContact OE1-CE 3.49Å; E235-K295 IonicContact OE1-NZ 3.52Å; E235-K295 PolarHBondContact OE1-NZ 3.16Å; E235-K295 IonicContact OE2-NZ 3.34Å; L287-K295 PolarHBondContact N-O 3.26Å; L287-K295 PolarHBondContact O-N 2.9Å; E293-K295 VanDerWaalsContact OE1-CE 3.3Å; E293-K295 WeakPolarHBondContact OE1-CE 3.41Å; E293-K295 IonicContact OE1-NZ 2.85Å; K295-A297 PolarHBondContact O-N 3.41Å
296	I	96.9	Very high	84	Confident	0 Å²	0	30.7 Å²	30.7	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	124.4	169.7	-54.3	178.2	0	0	0	108.8	N216 L218 L264 A267 L268 H278 I281 L286 L294 F299	N216-I296 PolarHBondContact O-N 2.83Å; L218-I296 VanDerWaalsContact CB-O 3.3Å; L218-I296 WeakPolarHBondContact CB-O 3.4Å; L218-I296 PolarHBondContact N-O 2.87Å; L264-I296 HydrophobicContact CD1-CD1 3.6Å; L264-I296 HydrophobicContact CD1-CG1 3.67Å; A267-I296 HydrophobicContact CB-CD1 3.55Å; A267-I296 HydrophobicContact CB-CG1 4.21Å; L268-I296 HydrophobicContact CD2-CD1 4.2Å; L268-I296 HydrophobicContact CG-CD1 4.29Å; H278-I296 VanDerWaalsContact NE2-CG2 3.33Å; H278-I296 WeakPolarHBondContact NE2-CG2 3.48Å; I281-I296 HydrophobicContact CD1-CD1 4.22Å; I281-I296 HydrophobicContact CD1-CG2 4.01Å; L286-I296 HydrophobicContact CD2-CB 4.46Å; L286-I296 HydrophobicContact CD2-CG1 4.08Å; L294-I296 HydrophobicContact CD2-CG1 4.29Å; I296-F299 HydrophobicContact CG2-CE2 4.03Å; I296-F299 HydrophobicContact CG2-CZ 4Å
297	A	91.4	Very high	81.6	Confident	10 Å²	10	36 Å²	36	8%	0.083	22%	0.218	C	C	.	.			trans	-115.8	170.2	173.2	0	0	0	0	0	110.6	L218 H278 N285 L287 K295	L218-A297 HydrophobicContact CB-CB 4.28Å; L218-A297 HydrophobicContact CD2-CB 3.95Å; H278-A297 PolarHBondContact NE2-O 3.46Å; N285-A297 WeakPolarHBondContact O-CA 3.29Å; N285-A297 WeakPolarHBondContact O-CB 3.18Å; N285-A297 PolarHBondContact O-N 3.28Å; L287-A297 HydrophobicContact CD1-CB 3.94Å; L287-A297 HydrophobicContact CG-CB 3.97Å; K295-A297 PolarHBondContact O-N 3.41Å
298	D	81.2	Confident	79	Confident	48 Å²	48	37.8 Å²	37.8	26%	0.257	23%	0.233	S	C	.	.			trans	58	84.8	174.7	-155.7	-23.5	0	0	0	116	H278 G300	H278-D298 PolarHBondContact CE1-O 3.1Å; H278-D298 PolarHBondContact NE2-O 2.91Å; D298-G300 PolarHBondContact O-N 3.41Å; D298-G300 PolarHBondContact OD1-N 3.24Å
299	F	83.2	Confident	76.8	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	27%	0.266	C	S	.	.			trans	-88.1	20.5	175.1	-73.9	-106.1	0	0	0	112.7	E205 I208 Q209 L212 I217 V276 H278 I296 W301 S302	E205-F299 HydrophobicContact CG-CB 4.23Å; I208-F299 HydrophobicContact CG2-CD1 4.02Å; Q209-F299 HydrophobicContact CB-CB 4.43Å; Q209-F299 HydrophobicContact CB-CD2 4.38Å; Q209-F299 HydrophobicContact CB-CG 4.4Å; Q209-F299 HydrophobicContact CG-CD2 3.97Å; Q209-F299 HydrophobicContact CG-CE2 4.39Å; Q209-F299 HydrophobicContact CG-CG 4.47Å; L212-F299 HydrophobicContact CD1-CD1 3.73Å; L212-F299 HydrophobicContact CD1-CE1 3.19Å; L212-F299 HydrophobicContact CD1-CE2 4.43Å; L212-F299 HydrophobicContact CD1-CZ 3.61Å; I217-F299 HydrophobicContact CD1-CZ 4.43Å; I217-F299 HydrophobicContact CG1-CZ 4.5Å; I217-F299 HydrophobicContact CG2-CE2 3.71Å; I217-F299 HydrophobicContact CG2-CZ 3.64Å; V276-F299 HydrophobicContact CG1-CD1 4.47Å; V276-F299 HydrophobicContact CG1-CE1 4.48Å; H278-F299 AromaticContact CD2-CE1 3.8Å; H278-F299 AromaticContact CD2-CZ 3.98Å; I296-F299 HydrophobicContact CG2-CE2 4.03Å; I296-F299 HydrophobicContact CG2-CZ 4Å; F299-W301 PolarHBondContact O-N 2.9Å; F299-S302 VanDerWaalsContact CA-OG 3.3Å; F299-S302 WeakPolarHBondContact CA-OG 3.47Å; F299-S302 WeakPolarHBondContact CB-OG 3.49Å; F299-S302 WeakPolarHBondContact CD1-OG 3.47Å; F299-S302 WeakPolarHBondContact O-CB 3.42Å; F299-S302 PolarHBondContact O-N 3.35Å; F299-S302 PolarHBondContact O-OG 3.01Å
300	G	69.2	Low	74.8	Confident	10 Å²	10	50 Å²	50	10%	0.103	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-25.8	-176	0	0	0	0	0	114.4	D298	D298-G300 PolarHBondContact O-N 3.41Å; D298-G300 PolarHBondContact OD1-N 3.24Å
301	W	69.8	Low	72.4	Confident	34 Å²	34	51.7 Å²	51.7	13%	0.129	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103	-0.6	174.4	-65	99	0	0	0	113.6	P59 H278 R279 D280 F299 T312 C314	P59-W301 HydrophobicContact CB-CZ2 4.05Å; P59-W301 VanDerWaalsContact CG-NE1 3.32Å; H278-W301 CarbonylContact O-C 3.41Å; R279-W301 PolarHBondContact NE-O 2.84Å; R279-W301 PolarHBondContact NH2-O 3.17Å; D280-W301 HydrophobicContact CB-CB 4.16Å; D280-W301 HydrophobicContact CB-CG 4.34Å; F299-W301 PolarHBondContact O-N 2.9Å; W301-T312 HydrophobicContact CZ3-CG2 4.42Å; W301-C314 HydrophobicContact CD2-CB 3.53Å; W301-C314 HydrophobicContact CE3-CB 3.26Å; W301-C314 HydrophobicContact CG-CB 4.19Å; W301-C314 HydrophobicContact CH2-CB 3.94Å; W301-C314 HydrophobicContact CZ2-CB 4.18Å; W301-C314 HydrophobicContact CZ3-CB 3.49Å; W301-C314 VanDerWaalsContact CZ3-CB 3.49Å
302	S	70.9	Confident	70.2	Confident	1 Å²	1	47.3 Å²	47.3	1%	0.007	26%	0.262	C	S	.	.			trans	-69.3	150.4	-178.2	-55.4	0	0	0	0	111.4	R204 I277 F299	R204-S302 WeakPolarHBondContact CD-O 3.44Å; I277-S302 CarbonylContact O-C 3.39Å; I277-S302 WeakPolarHBondContact O-CA 3.45Å; I277-S302 WeakPolarHBondContact O-CB 3.45Å; F299-S302 VanDerWaalsContact CA-OG 3.3Å; F299-S302 WeakPolarHBondContact CA-OG 3.47Å; F299-S302 WeakPolarHBondContact CB-OG 3.49Å; F299-S302 WeakPolarHBondContact CD1-OG 3.47Å; F299-S302 WeakPolarHBondContact O-CB 3.42Å; F299-S302 PolarHBondContact O-N 3.35Å; F299-S302 PolarHBondContact O-OG 3.01Å
303	V	70.3	Confident	68	Low	2 Å²	2	48.8 Å²	48.8	1%	0.012	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	138.7	179.5	-71.7	0	0	0	0	111	V276 I277 R279	V276-V303 WeakPolarHBondContact CA-O 3.29Å; I277-V303 HydrophobicContact CB-CG2 4.14Å; I277-V303 HydrophobicContact CD1-CG2 4.45Å; I277-V303 PolarHBondContact N-O 2.95Å; I277-V303 PolarHBondContact O-N 3.32Å; R279-V303 VanDerWaalsContact NH2-CG1 3.31Å
304	H	65.9	Low	65.7	Low	104 Å²	104	47 Å²	47	48%	0.481	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	125.8	164	-160	72	0	0	0	108.1	K274 N275	K274-H304 PolarHBondContact O-CE1 3.37Å; K274-H304 PolarHBondContact O-ND1 3.3Å; K274-H304 VanDerWaalsContact O-ND1 3.16Å; N275-H304 CarbonylContact O-C 3.54Å; N275-H304 WeakPolarHBondContact O-CA 3.47Å
305	T	58	Low	63.7	Low	25 Å²	25	47.3 Å²	47.3	15%	0.153	26%	0.262	C	S	.	.			trans	-123.5	103.6	-173.5	-46.3	0	0	0	0	111	N275	N275-T305 PolarHBondContact O-N 2.92Å
306	P	47.2	Very low	62.2	Low	111 Å²	111	48.7 Å²	48.7	72%	0.721	27%	0.272	S	S	*	.	S	Bend	trans	-81.2	-29	166.6	-14.5	30.4	0	0	0	112.8
307	S	44.9	Very low	61.4	Low	110 Å²	110	49.9 Å²	49.9	77%	0.769	28%	0.278	S	S	*	.	S	Bend	trans	-175.7	43.8	-170.6	53.7	0	0	0	0	116.3
308	S	43.1	Very low	61.1	Low	72 Å²	72	51 Å²	51	50%	0.503	28%	0.283	S	S	.	.			trans	-147.9	111	178.4	-150.7	0	0	0	0	116.2	R310	S308-R310 WeakPolarHBondContact O-CG 3.33Å
309	R	50.3	Low	61.5	Low	182 Å²	182	49.4 Å²	49.4	69%	0.687	27%	0.273	S	S	*	.			trans	-55.6	125.7	159.8	-95.5	-179.1	-174.8	-169.2	4.2	110.6	T329	R309-T329 HydrophobicContact CB-CG2 3.77Å
310	R	55.1	Low	61.9	Low	78 Å²	78	49.6 Å²	49.6	29%	0.294	27%	0.274	S	S	.	.	B	Isolated β-bridge	trans	-123.7	160.6	-170.5	-60.2	-152.7	-158.3	-143.3	6.7	116.2	S308 T329 H330	S308-R310 WeakPolarHBondContact O-CG 3.33Å; R310-T329 CarbonylContact O-C 3.35Å; R310-T329 WeakPolarHBondContact O-CA 3.23Å; R310-H330 PolarHBondContact N-O 2.96Å; R310-H330 PolarHBondContact O-CE1 3.08Å; R310-H330 PolarHBondContact O-N 2.97Å; R310-H330 PolarHBondContact O-ND1 2.79Å
311	S	44.5	Very low	63.1	Low	84 Å²	84	49.2 Å²	49.2	59%	0.587	27%	0.27	S	S	*	.			trans	-117	8.6	-175.6	57.7	0	0	0	0	115.7	L313	S311-L313 PolarHBondContact O-N 3Å
312	T	46.7	Very low	64.3	Low	64 Å²	64	47.6 Å²	47.6	39%	0.393	26%	0.264	S	S	.	.			trans	-75.2	124.2	-178.5	-49.2	0	0	0	0	111.8	W301 H330	W301-T312 HydrophobicContact CZ3-CG2 4.42Å; T312-H330 PolarHBondContact O-CE1 3.34Å
313	L	49	Very low	65.4	Low	40 Å²	40	47.9 Å²	47.9	21%	0.209	27%	0.265	C	S	.	.			trans	-84.7	114.1	173.2	-168.5	68.7	0	0	0	110	I62 S311 L320 M324	I62-L313 HydrophobicContact CB-CD2 3.68Å; I62-L313 HydrophobicContact CB-CG 4.38Å; I62-L313 HydrophobicContact CG2-CD2 4.12Å; S311-L313 PolarHBondContact O-N 3Å; L313-L320 HydrophobicContact CD1-CD1 3.82Å; L313-L320 HydrophobicContact CG-CD1 4.46Å; L313-M324 HydrophobicContact CD1-CB 4.32Å; L313-M324 WeakPolarHBondContact CD1-O 3Å
314	C	47	Very low	66.3	Low	0 Å²	0	48.2 Å²	48.2	0%	0	27%	0.266	C	S	.	.			trans	-146.4	138.1	177.8	54.9	0	0	0	0	110.5	W301 L320	W301-C314 HydrophobicContact CD2-CB 3.53Å; W301-C314 HydrophobicContact CE3-CB 3.26Å; W301-C314 HydrophobicContact CG-CB 4.19Å; W301-C314 HydrophobicContact CH2-CB 3.94Å; W301-C314 HydrophobicContact CZ2-CB 4.18Å; W301-C314 HydrophobicContact CZ3-CB 3.49Å; W301-C314 VanDerWaalsContact CZ3-CB 3.49Å; C314-L320 WeakPolarHBondContact O-CD2 3.37Å
315	G	54.8	Low	67.3	Low	6 Å²	6	44.2 Å²	44.2	6%	0.062	25%	0.248	C	C	.	.	S	Bend	trans	135.3	177.4	177.4	0	0	0	0	0	113.5	D280	D280-G315 WeakPolarHBondContact OD1-CA 3.4Å
316	T	67	Low	68.7	Low	42 Å²	42	45.5 Å²	45.5	26%	0.258	25%	0.253	S	S	.	.			trans	-83.8	133.3	166.1	-56.7	0	0	0	0	108	K282 D318 Y319	K282-T316 WeakPolarHBondContact CD-OG1 3.2Å; K282-T316 PolarHBondContact NZ-OG1 2.88Å; T316-D318 PolarHBondContact O-N 3.29Å; T316-Y319 HydrophobicContact CG2-CD2 4.27Å; T316-Y319 HydrophobicContact CG2-CE2 4.39Å; T316-Y319 PolarHBondContact O-N 3.2Å
317	L	79.7	Confident	70.5	Confident	25 Å²	25	41.9 Å²	41.9	13%	0.131	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-49.1	-40.9	-168.3	-179.8	61.4	0	0	0	113.2	I62 Y319 L320 I325 H358 T361 I365	I62-L317 HydrophobicContact CD1-CB 4.44Å; L317-Y319 PolarHBondContact O-N 2.92Å; L317-L320 HydrophobicContact CD1-CD1 4.2Å; L317-L320 PolarHBondContact O-N 3.49Å; L317-I325 HydrophobicContact CD1-CG2 4.49Å; L317-H358 HydrophobicContact CD2-CB 3.76Å; L317-T361 HydrophobicContact CD2-CG2 3.93Å; L317-T361 HydrophobicContact CG-CG2 3.83Å; L317-I365 WeakPolarHBondContact O-CD1 3.31Å
318	D	85.3	Confident	72.5	Confident	33 Å²	33	41.8 Å²	41.8	18%	0.176	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-65.4	-17.3	-176.3	-53.5	-79.2	0	0	0	114.7	T316 P351	T316-D318 PolarHBondContact O-N 3.29Å; D318-P351 HydrophobicContact CB-CB 3.93Å; D318-P351 HydrophobicContact CB-CG 4.12Å
319	Y	90.8	Very high	74.4	Confident	14 Å²	14	41.7 Å²	41.7	6%	0.055	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-107.6	-1.2	-180	-57.2	-96	0	0	0	112.8	K282 P283 T316 L317 S338 V341 L342 E345	K282-Y319 HydrophobicContact CB-CD1 4.12Å; K282-Y319 HydrophobicContact CB-CD2 4.12Å; K282-Y319 HydrophobicContact CB-CE1 4.21Å; K282-Y319 HydrophobicContact CB-CE2 4.17Å; K282-Y319 HydrophobicContact CB-CG 4.09Å; P283-Y319 WeakPolarHBondContact CD-OH 3.3Å; P283-Y319 HydrophobicContact CG-CE1 4.32Å; P283-Y319 WeakPolarHBondContact CG-OH 3.32Å; T316-Y319 HydrophobicContact CG2-CD2 4.27Å; T316-Y319 HydrophobicContact CG2-CE2 4.39Å; T316-Y319 PolarHBondContact O-N 3.2Å; L317-Y319 PolarHBondContact O-N 2.92Å; Y319-S338 PolarHBondContact O-OG 3.22Å; Y319-V341 HydrophobicContact CD1-CB 4.08Å; Y319-V341 HydrophobicContact CD1-CG1 3.35Å; Y319-V341 HydrophobicContact CE1-CG1 3.57Å; Y319-V341 HydrophobicContact CG-CG1 4.07Å; Y319-L342 HydrophobicContact CE1-CD2 3.97Å; Y319-L342 HydrophobicContact CE1-CG 4.33Å; Y319-E345 WeakPolarHBondContact CE1-OE2 2.92Å; Y319-E345 VanDerWaalsContact CZ-OE2 3.3Å; Y319-E345 PolarHBondContact OH-OE1 3.5Å; Y319-E345 PolarHBondContact OH-OE2 3.39Å
320	L	90.6	Very high	76.1	Confident	4 Å²	4	33.4 Å²	33.4	2%	0.021	19%	0.186	C	C	.	.			trans	-74.8	133.6	-179.3	-64.6	-176.9	0	0	0	110.8	I62 L313 C314 L317 M324 I325 W337 I365	I62-L320 HydrophobicContact CD1-CD1 3.88Å; L313-L320 HydrophobicContact CD1-CD1 3.82Å; L313-L320 HydrophobicContact CG-CD1 4.46Å; C314-L320 WeakPolarHBondContact O-CD2 3.37Å; L317-L320 HydrophobicContact CD1-CD1 4.2Å; L317-L320 PolarHBondContact O-N 3.49Å; L320-M324 HydrophobicContact CD2-SD 4.21Å; L320-I325 HydrophobicContact CB-CG2 3.62Å; L320-I325 HydrophobicContact CD1-CG2 3.97Å; L320-I325 HydrophobicContact CG-CG2 4.46Å; L320-W337 PolarHBondContact O-NE1 2.87Å; L320-W337 VanDerWaalsContact O-NE1 3.14Å; L320-I365 WeakPolarHBondContact O-CG2 3.34Å
321	P	94	Very high	77.7	Confident	2 Å²	2	31.2 Å²	31.2	1%	0.013	18%	0.181	C	C	.	.			trans	-76.5	159.1	175.1	33.8	-37.9	0	0	0	112.1	E323 M324 I325 V334 W337	P321-E323 VanDerWaalsContact C-N 3.31Å; P321-E323 HydrophobicContact CG-CG 4.43Å; P321-E323 PolarHBondContact O-N 3.11Å; P321-M324 VanDerWaalsContact CD-SD 3.56Å; P321-M324 HydrophobicContact CG-CB 3.94Å; P321-M324 HydrophobicContact CG-CG 3.71Å; P321-M324 HydrophobicContact CG-SD 3.75Å; P321-M324 PolarHBondContact O-N 3.25Å; P321-I325 PolarHBondContact O-N 3.45Å; P321-V334 HydrophobicContact CG-CB 3.96Å; P321-V334 HydrophobicContact CG-CG1 3.73Å; P321-W337 HydrophobicContact CB-CB 3.85Å; P321-W337 HydrophobicContact CB-CD2 3.99Å; P321-W337 HydrophobicContact CB-CG 3.57Å
322	P	95.4	Very high	80	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-53.1	-43.7	-178.3	-28.9	37.6	0	0	0	113.7	M324 I325 E326 W337 I365 V368	P322-M324 VanDerWaalsContact C-N 3.28Å; P322-M324 PolarHBondContact O-N 2.71Å; P322-I325 WeakPolarHBondContact O-CG1 3.37Å; P322-I325 PolarHBondContact O-N 2.79Å; P322-E326 VanDerWaalsContact O-CB 3.23Å; P322-E326 WeakPolarHBondContact O-CB 3.21Å; P322-E326 WeakPolarHBondContact O-CG 3.36Å; P322-E326 PolarHBondContact O-N 2.7Å; P322-W337 HydrophobicContact CG-CE3 4.46Å; P322-W337 HydrophobicContact CG-CH2 3.74Å; P322-W337 HydrophobicContact CG-CZ2 4.26Å; P322-W337 HydrophobicContact CG-CZ3 3.85Å; P322-I365 HydrophobicContact CG-CG2 4.06Å; P322-V368 HydrophobicContact CG-CG2 4.5Å
323	E	93.6	Very high	82.3	Confident	8 Å²	8	29 Å²	29	4%	0.037	16%	0.156	C	C	.	.	H	α-helix	trans	-63.5	-30.9	179.9	64.7	-85	-159.4	0	0	113.3	P321 G327 K328 H330 P394 R397	P321-E323 VanDerWaalsContact C-N 3.31Å; P321-E323 HydrophobicContact CG-CG 4.43Å; P321-E323 PolarHBondContact O-N 3.11Å; E323-G327 PolarHBondContact O-N 3.13Å; E323-K328 HydrophobicContact CB-CB 4Å; E323-K328 WeakPolarHBondContact O-CA 3.31Å; E323-K328 WeakPolarHBondContact O-CB 3.49Å; E323-K328 PolarHBondContact O-N 3.05Å; E323-H330 HydrophobicContact CG-CB 3.99Å; E323-P394 HydrophobicContact CG-CG 4.19Å; E323-P394 WeakPolarHBondContact OE1-CG 3.37Å; E323-R397 VanDerWaalsContact CD-NH2 3.31Å; E323-R397 IonicContact OE1-CZ 2.93Å; E323-R397 IonicContact OE1-NH1 2.8Å; E323-R397 PolarHBondContact OE1-NH1 3.45Å; E323-R397 IonicContact OE1-NH2 3.41Å; E323-R397 PolarHBondContact OE1-NH2 3.09Å; E323-R397 VanDerWaalsContact OE1-NH2 3.1Å; E323-R397 IonicContact OE2-CZ 2.98Å; E323-R397 IonicContact OE2-NH1 2.79Å; E323-R397 IonicContact OE2-NH2 2.99Å; E323-R397 PolarHBondContact OE2-NH2 3.48Å
324	M	89.4	Confident	84.4	Confident	8 Å²	8	27.1 Å²	27.1	4%	0.039	15%	0.146	C	C	.	.	H	α-helix	trans	-74.5	-45.2	176.5	-80.1	-176.3	166	0	0	111	R279 L313 L320 P321 P322 E326 G327 H330 V334	R279-M324 HydrophobicContact CB-CE 4.3Å; R279-M324 HydrophobicContact CG-CE 4.45Å; L313-M324 HydrophobicContact CD1-CB 4.32Å; L313-M324 WeakPolarHBondContact CD1-O 3Å; L320-M324 HydrophobicContact CD2-SD 4.21Å; P321-M324 VanDerWaalsContact CD-SD 3.56Å; P321-M324 HydrophobicContact CG-CB 3.94Å; P321-M324 HydrophobicContact CG-CG 3.71Å; P321-M324 HydrophobicContact CG-SD 3.75Å; P321-M324 PolarHBondContact O-N 3.25Å; P322-M324 VanDerWaalsContact C-N 3.28Å; P322-M324 PolarHBondContact O-N 2.71Å; M324-E326 VanDerWaalsContact C-N 3.31Å; M324-E326 PolarHBondContact O-N 2.92Å; M324-G327 PolarHBondContact O-N 3.3Å; M324-G327 VanDerWaalsContact O-N 3.11Å; M324-H330 HydrophobicContact CE-CB 4.47Å; M324-H330 VanDerWaalsContact CE-CD2 3.46Å; M324-H330 WeakPolarHBondContact CE-CD2 3.49Å; M324-H330 WeakPolarHBondContact CE-NE2 3.33Å; M324-H330 HydrophobicContact CG-CB 4.33Å; M324-V334 HydrophobicContact CE-CB 4.16Å; M324-V334 HydrophobicContact CE-CG1 3.94Å; M324-V334 HydrophobicContact CE-CG2 4.11Å; M324-V334 HydrophobicContact SD-CG1 4.46Å
325	I	87.1	Confident	86.8	Confident	20 Å²	20	27.1 Å²	27.1	10%	0.103	15%	0.146	C	C	.	.	H	α-helix	trans	-68.5	-32.8	-179.8	66.7	162.9	0	0	0	111.7	L317 L320 P321 P322 G327 Y362 I365	L317-I325 HydrophobicContact CD1-CG2 4.49Å; L320-I325 HydrophobicContact CB-CG2 3.62Å; L320-I325 HydrophobicContact CD1-CG2 3.97Å; L320-I325 HydrophobicContact CG-CG2 4.46Å; P321-I325 PolarHBondContact O-N 3.45Å; P322-I325 WeakPolarHBondContact O-CG1 3.37Å; P322-I325 PolarHBondContact O-N 2.79Å; I325-G327 PolarHBondContact O-N 2.85Å; I325-Y362 HydrophobicContact CB-CD2 3.92Å; I325-Y362 HydrophobicContact CB-CE2 3.51Å; I325-Y362 HydrophobicContact CD1-CD1 4.19Å; I325-Y362 HydrophobicContact CD1-CD2 3.82Å; I325-Y362 HydrophobicContact CD1-CE1 4.12Å; I325-Y362 HydrophobicContact CD1-CE2 3.81Å; I325-Y362 HydrophobicContact CD1-CG 4.01Å; I325-Y362 HydrophobicContact CG1-CD2 4.32Å; I325-Y362 HydrophobicContact CG1-CE2 3.91Å; I325-Y362 WeakPolarHBondContact O-CE2 3.5Å; I325-Y362 PolarHBondContact O-OH 2.85Å; I325-Y362 VanDerWaalsContact O-OH 3.12Å; I325-I365 HydrophobicContact CD1-CB 3.74Å; I325-I365 HydrophobicContact CD1-CG2 3.42Å; I325-I365 VanDerWaalsContact CD1-CG2 3.42Å; I325-I365 HydrophobicContact CG1-CG2 4.14Å
326	E	88.3	Confident	88.8	Confident	53 Å²	53	27.3 Å²	27.3	25%	0.248	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-1.1	174.8	-67.4	168.4	-169.9	0	0	112.8	P322 M324 K328 S366 H392	P322-E326 VanDerWaalsContact O-CB 3.23Å; P322-E326 WeakPolarHBondContact O-CB 3.21Å; P322-E326 WeakPolarHBondContact O-CG 3.36Å; P322-E326 PolarHBondContact O-N 2.7Å; M324-E326 VanDerWaalsContact C-N 3.31Å; M324-E326 PolarHBondContact O-N 2.92Å; E326-K328 HydrophobicContact CB-CD 4.27Å; E326-K328 HydrophobicContact CB-CG 4.23Å; E326-K328 PolarHBondContact O-N 3.05Å; E326-K328 WeakPolarHBondContact OE2-CE 3.3Å; E326-K328 IonicContact OE2-NZ 2.61Å; E326-K328 PolarHBondContact OE2-NZ 3.35Å; E326-S366 PolarHBondContact OE1-OG 2.8Å; E326-S366 VanDerWaalsContact OE1-OG 3.06Å; E326-H392 IonicContact OE1-CE1 3.84Å; E326-H392 IonicContact OE1-NE2 3.06Å; E326-H392 PolarHBondContact OE1-NE2 3.45Å; E326-H392 IonicContact OE2-CE1 2.75Å; E326-H392 IonicContact OE2-NE2 3.9Å
327	G	83.5	Confident	90.3	Very high	34 Å²	34	25.3 Å²	25.3	35%	0.351	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.8	19.4	178.7	0	0	0	0	0	114.4	E323 M324 I325	E323-G327 PolarHBondContact O-N 3.13Å; M324-G327 PolarHBondContact O-N 3.3Å; M324-G327 VanDerWaalsContact O-N 3.11Å; I325-G327 PolarHBondContact O-N 2.85Å
328	K	87.3	Confident	91.1	Very high	108 Å²	108	24.3 Å²	24.3	47%	0.47	13%	0.129	S	C	.	.			trans	-77.8	167.5	174.4	-66.2	173.4	177.7	166.3	0	110.3	E323 E326	E323-K328 HydrophobicContact CB-CB 4Å; E323-K328 WeakPolarHBondContact O-CA 3.31Å; E323-K328 WeakPolarHBondContact O-CB 3.49Å; E323-K328 PolarHBondContact O-N 3.05Å; E326-K328 HydrophobicContact CB-CD 4.27Å; E326-K328 HydrophobicContact CB-CG 4.23Å; E326-K328 PolarHBondContact O-N 3.05Å; E326-K328 WeakPolarHBondContact OE2-CE 3.3Å; E326-K328 IonicContact OE2-NZ 2.61Å; E326-K328 PolarHBondContact OE2-NZ 3.35Å
329	T	84.2	Confident	91.7	Very high	70 Å²	70	22.8 Å²	22.8	43%	0.429	12%	0.12	S	C	.	.			trans	-71.6	139	174.1	54.5	0	0	0	0	111.9	R309 R310	R309-T329 HydrophobicContact CB-CG2 3.77Å; R310-T329 CarbonylContact O-C 3.35Å; R310-T329 WeakPolarHBondContact O-CA 3.23Å
330	H	84.4	Confident	92.1	Very high	8 Å²	8	22.1 Å²	22.1	4%	0.037	12%	0.118	C	C	.	.	B	Isolated β-bridge	trans	-122.6	158.1	177.8	57.8	-95.8	0	0	0	113.4	R279 R310 T312 E323 M324 V334	R279-H330 PolarHBondContact NH1-NE2 3.19Å; R310-H330 PolarHBondContact N-O 2.96Å; R310-H330 PolarHBondContact O-CE1 3.08Å; R310-H330 PolarHBondContact O-N 2.97Å; R310-H330 PolarHBondContact O-ND1 2.79Å; T312-H330 PolarHBondContact O-CE1 3.34Å; E323-H330 HydrophobicContact CG-CB 3.99Å; M324-H330 HydrophobicContact CE-CB 4.47Å; M324-H330 VanDerWaalsContact CE-CD2 3.46Å; M324-H330 WeakPolarHBondContact CE-CD2 3.49Å; M324-H330 WeakPolarHBondContact CE-NE2 3.33Å; M324-H330 HydrophobicContact CG-CB 4.33Å; H330-V334 HydrophobicContact CB-CG1 3.55Å
331	D	89.4	Confident	92.4	Very high	33 Å²	33	21.9 Å²	21.9	18%	0.176	12%	0.117	C	C	.	.			trans	-131.2	-160.3	178.5	67	5.2	0	0	0	110.7	K333 V334	D331-K333 PolarHBondContact O-N 2.98Å; D331-K333 VanDerWaalsContact O-N 3.16Å; D331-K333 VanDerWaalsContact OD1-CB 3.23Å; D331-K333 WeakPolarHBondContact OD1-CB 3.32Å; D331-K333 VanDerWaalsContact OD1-CG 3.3Å; D331-K333 WeakPolarHBondContact OD1-CG 3.35Å; D331-K333 PolarHBondContact OD1-N 2.79Å; D331-K333 IonicContact OD1-NZ 3.1Å; D331-K333 IonicContact OD2-NZ 2.72Å; D331-K333 PolarHBondContact OD2-NZ 2.8Å; D331-V334 WeakPolarHBondContact O-CG2 3.41Å; D331-V334 PolarHBondContact O-N 3.03Å
332	E	91.8	Very high	92.6	Very high	67 Å²	67	21.8 Å²	21.8	31%	0.313	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-18.7	-178.7	72.9	-69.1	156.9	0	0	114.3	I277 V334 D335	I277-E332 HydrophobicContact CD1-CB 4.24Å; I277-E332 HydrophobicContact CG1-CB 3.93Å; E332-V334 PolarHBondContact O-N 3.42Å; E332-V334 VanDerWaalsContact O-N 3.1Å; E332-D335 PolarHBondContact O-N 2.93Å
333	K	95.4	Very high	92.7	Very high	34 Å²	34	21.8 Å²	21.8	15%	0.148	12%	0.116	C	C	.	.	H	α-helix	trans	-69.6	-10.2	-176.8	-58.8	176.4	-173.7	61.2	0	113	D331 D335 L336 W337 P394 M395 R397	D331-K333 PolarHBondContact O-N 2.98Å; D331-K333 VanDerWaalsContact O-N 3.16Å; D331-K333 VanDerWaalsContact OD1-CB 3.23Å; D331-K333 WeakPolarHBondContact OD1-CB 3.32Å; D331-K333 VanDerWaalsContact OD1-CG 3.3Å; D331-K333 WeakPolarHBondContact OD1-CG 3.35Å; D331-K333 PolarHBondContact OD1-N 2.79Å; D331-K333 IonicContact OD1-NZ 3.1Å; D331-K333 IonicContact OD2-NZ 2.72Å; D331-K333 PolarHBondContact OD2-NZ 2.8Å; K333-D335 VanDerWaalsContact C-N 3.27Å; K333-L336 HydrophobicContact CB-CD1 4.22Å; K333-L336 HydrophobicContact CG-CD1 4.16Å; K333-L336 WeakPolarHBondContact O-CB 3.35Å; K333-L336 PolarHBondContact O-N 3.1Å; K333-W337 PolarHBondContact O-N 3.18Å; K333-P394 HydrophobicContact CB-CB 3.96Å; K333-P394 HydrophobicContact CD-CB 3.89Å; K333-P394 WeakPolarHBondContact CD-O 3.38Å; K333-M395 HydrophobicContact CD-SD 4.18Å; K333-M395 VanDerWaalsContact CE-SD 3.55Å; K333-R397 PolarHBondContact O-NH1 2.65Å
334	V	94.4	Very high	93	Very high	1 Å²	1	21.8 Å²	21.8	1%	0.006	12%	0.116	C	C	.	.	H	α-helix	trans	-64.3	-34.6	170.4	-57.8	0	0	0	0	111.9	I277 R279 P321 M324 H330 D331 E332 L336 W337 S338	I277-V334 HydrophobicContact CG2-CG2 3.93Å; R279-V334 HydrophobicContact CG-CG2 4.06Å; P321-V334 HydrophobicContact CG-CB 3.96Å; P321-V334 HydrophobicContact CG-CG1 3.73Å; M324-V334 HydrophobicContact CE-CB 4.16Å; M324-V334 HydrophobicContact CE-CG1 3.94Å; M324-V334 HydrophobicContact CE-CG2 4.11Å; M324-V334 HydrophobicContact SD-CG1 4.46Å; H330-V334 HydrophobicContact CB-CG1 3.55Å; D331-V334 WeakPolarHBondContact O-CG2 3.41Å; D331-V334 PolarHBondContact O-N 3.03Å; E332-V334 PolarHBondContact O-N 3.42Å; E332-V334 VanDerWaalsContact O-N 3.1Å; V334-L336 VanDerWaalsContact C-N 3.27Å; V334-L336 PolarHBondContact O-N 3.11Å; V334-W337 WeakPolarHBondContact O-CB 3.48Å; V334-W337 PolarHBondContact O-N 2.79Å; V334-S338 PolarHBondContact O-N 3.04Å; V334-S338 VanDerWaalsContact O-N 3.1Å; V334-S338 PolarHBondContact O-OG 3.43Å
335	D	95.8	Very high	93.3	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-67.6	-32.2	177	-66.1	-24.8	0	0	0	110.5	L268 H272 I277 H278 R279 E332 K333 S338 L339	L268-D335 HydrophobicContact CD1-CB 4.15Å; L268-D335 HydrophobicContact CD2-CB 4.01Å; H272-D335 IonicContact CD2-OD2 3.48Å; H272-D335 IonicContact CE1-OD2 3.3Å; H272-D335 IonicContact NE2-OD2 3.85Å; H272-D335 PolarHBondContact NE2-OD2 3.13Å; I277-D335 WeakPolarHBondContact CG2-OD2 3.3Å; H278-D335 PolarHBondContact N-OD2 3.06Å; R279-D335 PolarHBondContact N-OD1 3.26Å; E332-D335 PolarHBondContact O-N 2.93Å; K333-D335 VanDerWaalsContact C-N 3.27Å; D335-S338 PolarHBondContact O-N 2.95Å; D335-L339 WeakPolarHBondContact O-CB 3.4Å; D335-L339 PolarHBondContact O-N 3.06Å
336	L	98.1	Very high	93.8	Very high	9 Å²	9	20.6 Å²	20.6	5%	0.047	11%	0.11	C	C	.	.	H	α-helix	trans	-66.7	-38.3	174.4	-57.3	175.7	0	0	0	112.3	K333 V334 L339 G340 L389 R397 L398 I400	K333-L336 HydrophobicContact CB-CD1 4.22Å; K333-L336 HydrophobicContact CG-CD1 4.16Å; K333-L336 WeakPolarHBondContact O-CB 3.35Å; K333-L336 PolarHBondContact O-N 3.1Å; V334-L336 VanDerWaalsContact C-N 3.27Å; V334-L336 PolarHBondContact O-N 3.11Å; L336-L339 WeakPolarHBondContact O-CB 3.33Å; L336-L339 PolarHBondContact O-N 3.29Å; L336-G340 PolarHBondContact O-N 3.26Å; L336-G340 VanDerWaalsContact O-N 3.1Å; L336-L389 HydrophobicContact CB-CD2 4.13Å; L336-R397 HydrophobicContact CB-CB 4.42Å; L336-R397 HydrophobicContact CD1-CB 4.24Å; L336-L398 WeakPolarHBondContact CD1-O 3.42Å; L336-I400 HydrophobicContact CD2-CB 4.02Å; L336-I400 HydrophobicContact CD2-CD1 3.75Å; L336-I400 HydrophobicContact CD2-CG1 4.49Å
337	W	98.1	Very high	94.2	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-62.8	-50.5	173.2	173.2	-88.3	0	0	0	110.8	L320 P321 P322 K333 V334 L339 G340 V341 F353 I365 V368 L390	L320-W337 PolarHBondContact O-NE1 2.87Å; L320-W337 VanDerWaalsContact O-NE1 3.14Å; P321-W337 HydrophobicContact CB-CB 3.85Å; P321-W337 HydrophobicContact CB-CD2 3.99Å; P321-W337 HydrophobicContact CB-CG 3.57Å; P322-W337 HydrophobicContact CG-CE3 4.46Å; P322-W337 HydrophobicContact CG-CH2 3.74Å; P322-W337 HydrophobicContact CG-CZ2 4.26Å; P322-W337 HydrophobicContact CG-CZ3 3.85Å; K333-W337 PolarHBondContact O-N 3.18Å; V334-W337 WeakPolarHBondContact O-CB 3.48Å; V334-W337 PolarHBondContact O-N 2.79Å; W337-L339 PolarHBondContact O-N 3.07Å; W337-G340 WeakPolarHBondContact O-CA 3.47Å; W337-G340 PolarHBondContact O-N 3.23Å; W337-V341 WeakPolarHBondContact O-CG2 3.35Å; W337-V341 PolarHBondContact O-N 3.49Å; W337-F353 AromaticContact CE2-CE2 3.98Å; W337-F353 HydrophobicContact CH2-CE1 4.49Å; W337-F353 AromaticContact CH2-CE2 3.72Å; W337-F353 HydrophobicContact CH2-CE2 3.72Å; W337-F353 AromaticContact CH2-CZ 3.54Å; W337-F353 HydrophobicContact CH2-CZ 3.54Å; W337-F353 HydrophobicContact CZ2-CD2 4.02Å; W337-F353 AromaticContact CZ2-CE2 3.19Å; W337-F353 HydrophobicContact CZ2-CE2 3.19Å; W337-F353 AromaticContact CZ2-CZ 3.55Å; W337-F353 HydrophobicContact CZ2-CZ 3.55Å; W337-I365 HydrophobicContact CH2-CG2 4.47Å; W337-I365 HydrophobicContact CZ2-CG2 3.92Å; W337-V368 HydrophobicContact CH2-CG1 4.21Å; W337-V368 HydrophobicContact CH2-CG2 4.14Å; W337-V368 HydrophobicContact CZ3-CG1 4.29Å; W337-V368 HydrophobicContact CZ3-CG2 4.2Å; W337-L390 HydrophobicContact CD2-CD2 3.9Å; W337-L390 HydrophobicContact CE3-CD2 3.88Å; W337-L390 HydrophobicContact CG-CD2 4.47Å; W337-L390 HydrophobicContact CH2-CD2 4.38Å; W337-L390 HydrophobicContact CZ2-CD2 4.4Å; W337-L390 HydrophobicContact CZ3-CB 4.3Å; W337-L390 HydrophobicContact CZ3-CD2 4.12Å
338	S	96.6	Very high	94.8	Very high	5 Å²	5	18.2 Å²	18.2	4%	0.035	9%	0.091	C	C	.	.	H	α-helix	trans	-60	-34.7	178.4	-57.4	0	0	0	0	112.2	Y319 V334 D335 V341 L342	Y319-S338 PolarHBondContact O-OG 3.22Å; V334-S338 PolarHBondContact O-N 3.04Å; V334-S338 VanDerWaalsContact O-N 3.1Å; V334-S338 PolarHBondContact O-OG 3.43Å; D335-S338 PolarHBondContact O-N 2.95Å; S338-V341 PolarHBondContact O-N 2.86Å; S338-L342 WeakPolarHBondContact O-CB 3.5Å; S338-L342 WeakPolarHBondContact O-CG 3.4Å; S338-L342 PolarHBondContact O-N 3.1Å
339	L	97.9	Very high	95.1	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-62.3	-41.5	172.4	-172.3	63.2	0	0	0	112.3	I261 L264 A265 D335 L336 W337 L342 C343 L389 I400 V403	I261-L339 HydrophobicContact CD1-CD1 3.67Å; I261-L339 HydrophobicContact CD1-CG 4.34Å; I261-L339 HydrophobicContact CG2-CD1 4.41Å; L264-L339 HydrophobicContact CB-CD1 4.14Å; L264-L339 HydrophobicContact CD2-CD1 3.45Å; L264-L339 VanDerWaalsContact CD2-CD1 3.45Å; L264-L339 HydrophobicContact CG-CD1 3.71Å; A265-L339 HydrophobicContact CB-CD2 4.2Å; D335-L339 WeakPolarHBondContact O-CB 3.4Å; D335-L339 PolarHBondContact O-N 3.06Å; L336-L339 WeakPolarHBondContact O-CB 3.33Å; L336-L339 PolarHBondContact O-N 3.29Å; W337-L339 PolarHBondContact O-N 3.07Å; L339-L342 PolarHBondContact O-N 3.26Å; L339-C343 WeakPolarHBondContact O-CB 3.15Å; L339-C343 PolarHBondContact O-N 2.95Å; L339-L389 HydrophobicContact CB-CD1 4.45Å; L339-L389 HydrophobicContact CD2-CD1 4.34Å; L339-L389 HydrophobicContact CG-CD1 4.17Å; L339-I400 HydrophobicContact CD2-CD1 4.05Å; L339-V403 HydrophobicContact CD2-CG1 4Å; L339-V403 HydrophobicContact CD2-CG2 4.2Å
340	G	98.4	Very high	95.5	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-65.6	-41.1	174.8	0	0	0	0	0	113	L336 W337 C343 Y344	L336-G340 PolarHBondContact O-N 3.26Å; L336-G340 VanDerWaalsContact O-N 3.1Å; W337-G340 WeakPolarHBondContact O-CA 3.47Å; W337-G340 PolarHBondContact O-N 3.23Å; G340-C343 PolarHBondContact O-N 3.15Å; G340-Y344 PolarHBondContact O-N 2.85Å; G340-Y344 VanDerWaalsContact O-N 3.09Å
341	V	98.2	Very high	96	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-60.9	-47.9	174.8	174	0	0	0	0	110.4	Y319 W337 S338 Y344 E345 P352 F353 L390	Y319-V341 HydrophobicContact CD1-CB 4.08Å; Y319-V341 HydrophobicContact CD1-CG1 3.35Å; Y319-V341 HydrophobicContact CE1-CG1 3.57Å; Y319-V341 HydrophobicContact CG-CG1 4.07Å; W337-V341 WeakPolarHBondContact O-CG2 3.35Å; W337-V341 PolarHBondContact O-N 3.49Å; S338-V341 PolarHBondContact O-N 2.86Å; V341-Y344 PolarHBondContact O-N 3.33Å; V341-E345 WeakPolarHBondContact O-CB 3.44Å; V341-E345 PolarHBondContact O-N 3.09Å; V341-P352 HydrophobicContact CG1-CG 4.33Å; V341-P352 HydrophobicContact CG2-CG 4.37Å; V341-F353 HydrophobicContact CG2-CD2 4.5Å; V341-F353 HydrophobicContact CG2-CE2 4.08Å; V341-L390 HydrophobicContact CG2-CD2 3.89Å
342	L	97.3	Very high	96.4	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-63.2	-42.1	177.4	-79.8	175.8	0	0	0	112.9	L264 I281 P283 L286 Y319 S338 L339 Y344 E345 F346	L264-L342 HydrophobicContact CD2-CD1 3.5Å; I281-L342 HydrophobicContact CG2-CD1 3.37Å; P283-L342 HydrophobicContact CG-CD2 3.55Å; L286-L342 HydrophobicContact CD1-CD1 3.75Å; L286-L342 HydrophobicContact CD1-CD2 4.38Å; Y319-L342 HydrophobicContact CE1-CD2 3.97Å; Y319-L342 HydrophobicContact CE1-CG 4.33Å; S338-L342 WeakPolarHBondContact O-CB 3.5Å; S338-L342 WeakPolarHBondContact O-CG 3.4Å; S338-L342 PolarHBondContact O-N 3.1Å; L339-L342 PolarHBondContact O-N 3.26Å; L342-Y344 VanDerWaalsContact C-N 3.34Å; L342-Y344 PolarHBondContact O-N 3.48Å; L342-E345 PolarHBondContact O-N 2.92Å; L342-F346 HydrophobicContact CB-CE2 4.27Å; L342-F346 HydrophobicContact CB-CZ 4.19Å; L342-F346 HydrophobicContact CD2-CE1 3.99Å; L342-F346 HydrophobicContact CD2-CZ 3.91Å; L342-F346 HydrophobicContact CG-CZ 4.49Å; L342-F346 WeakPolarHBondContact O-CB 3.38Å; L342-F346 WeakPolarHBondContact O-CD2 3.44Å; L342-F346 WeakPolarHBondContact O-CG 3.31Å; L342-F346 PolarHBondContact O-N 3.06Å
343	C	98.4	Very high	96.6	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-58.9	-47.8	177	-173.6	0	0	0	0	111	I261 L339 G340 E345 L347 V386	I261-C343 HydrophobicContact CD1-CB 3.61Å; I261-C343 HydrophobicContact CG1-CB 4.07Å; L339-C343 WeakPolarHBondContact O-CB 3.15Å; L339-C343 PolarHBondContact O-N 2.95Å; G340-C343 PolarHBondContact O-N 3.15Å; C343-E345 PolarHBondContact O-N 3.48Å; C343-L347 WeakPolarHBondContact O-CD1 3.42Å; C343-L347 VanDerWaalsContact O-CG 3.28Å; C343-L347 WeakPolarHBondContact O-CG 3.44Å; C343-L347 PolarHBondContact O-N 3Å; C343-V386 HydrophobicContact CB-CG2 3.97Å
344	Y	98.3	Very high	96.4	Very high	7 Å²	7	14.1 Å²	14.1	3%	0.027	7%	0.073	C	C	.	.	H	α-helix	trans	-59.3	-48.2	174.3	-179.6	-77.6	0	0	0	111.3	G340 V341 L342 F346 L347 V348 K350 P352 Y370 S371 Y372 V386	G340-Y344 PolarHBondContact O-N 2.85Å; G340-Y344 VanDerWaalsContact O-N 3.09Å; V341-Y344 PolarHBondContact O-N 3.33Å; L342-Y344 VanDerWaalsContact C-N 3.34Å; L342-Y344 PolarHBondContact O-N 3.48Å; Y344-F346 PolarHBondContact O-N 3.43Å; Y344-L347 PolarHBondContact O-N 2.94Å; Y344-V348 HydrophobicContact CD1-CB 4.01Å; Y344-V348 HydrophobicContact CD1-CG2 4.01Å; Y344-V348 HydrophobicContact CD2-CG2 4.32Å; Y344-V348 HydrophobicContact CE1-CB 3.61Å; Y344-V348 HydrophobicContact CE1-CG1 3.69Å; Y344-V348 HydrophobicContact CE1-CG2 3.66Å; Y344-V348 HydrophobicContact CE2-CG2 4.01Å; Y344-V348 HydrophobicContact CG-CG2 4.33Å; Y344-V348 WeakPolarHBondContact O-CB 3.33Å; Y344-V348 WeakPolarHBondContact O-CG2 3.39Å; Y344-V348 PolarHBondContact O-N 3.43Å; Y344-K350 WeakPolarHBondContact CD1-O 3.44Å; Y344-K350 VanDerWaalsContact CE1-O 3.29Å; Y344-K350 WeakPolarHBondContact CE1-O 3.28Å; Y344-P352 HydrophobicContact CD1-CB 3.63Å; Y344-P352 HydrophobicContact CD1-CG 4.01Å; Y344-P352 HydrophobicContact CD2-CB 3.93Å; Y344-P352 VanDerWaalsContact CE1-CA 3.41Å; Y344-P352 HydrophobicContact CE1-CB 3.83Å; Y344-P352 HydrophobicContact CE2-CB 4.11Å; Y344-P352 HydrophobicContact CG-CB 3.7Å; Y344-P352 HydrophobicContact CG-CG 4.05Å; Y344-Y370 AromaticContact CD2-CD2 3.95Å; Y344-Y370 HydrophobicContact CD2-CD2 3.95Å; Y344-Y370 HydrophobicContact CD2-CE2 4.17Å; Y344-Y370 AromaticContact CE2-CD2 3.73Å; Y344-Y370 HydrophobicContact CE2-CD2 3.73Å; Y344-Y370 HydrophobicContact CE2-CE2 4.29Å; Y344-S371 PolarHBondContact OH-O 3.2Å; Y344-Y372 HydrophobicContact CD2-CD1 4.1Å; Y344-Y372 AromaticContact CD2-CE1 3.53Å; Y344-Y372 HydrophobicContact CD2-CE1 3.53Å; Y344-Y372 AromaticContact CE2-CD1 3.67Å; Y344-Y372 HydrophobicContact CE2-CD1 3.67Å; Y344-Y372 AromaticContact CE2-CE1 3.57Å; Y344-Y372 HydrophobicContact CE2-CE1 3.57Å; Y344-Y372 HydrophobicContact CE2-CG 4.35Å; Y344-V386 HydrophobicContact CD2-CG1 4.37Å
345	E	96.8	Very high	96.2	Very high	4 Å²	4	15.4 Å²	15.4	2%	0.019	8%	0.084	C	C	.	.	H	α-helix	trans	-64.2	-38.5	-176.1	-180	179.4	-157	0	0	112.7	L246 P283 Y319 V341 L342 C343 L347 V348 G349 K350	L246-E345 HydrophobicContact CD2-CG 3.73Å; P283-E345 VanDerWaalsContact CG-OE2 3.22Å; P283-E345 WeakPolarHBondContact CG-OE2 3.41Å; Y319-E345 WeakPolarHBondContact CE1-OE2 2.92Å; Y319-E345 VanDerWaalsContact CZ-OE2 3.3Å; Y319-E345 PolarHBondContact OH-OE1 3.5Å; Y319-E345 PolarHBondContact OH-OE2 3.39Å; V341-E345 WeakPolarHBondContact O-CB 3.44Å; V341-E345 PolarHBondContact O-N 3.09Å; L342-E345 PolarHBondContact O-N 2.92Å; C343-E345 PolarHBondContact O-N 3.48Å; E345-L347 VanDerWaalsContact C-N 3.32Å; E345-L347 PolarHBondContact O-N 3.31Å; E345-V348 PolarHBondContact O-N 2.94Å; E345-G349 WeakPolarHBondContact O-CA 3.16Å; E345-G349 PolarHBondContact O-N 3.3Å; E345-K350 WeakPolarHBondContact CA-O 3.23Å
346	F	97.3	Very high	95.9	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-61.7	-41.7	174.3	-68	-16.6	0	0	0	111.6	L242 L246 S251 F252 T257 I261 L286 L342 Y344	L242-F346 HydrophobicContact CD2-CE1 3.62Å; L242-F346 HydrophobicContact CD2-CE2 4.32Å; L242-F346 HydrophobicContact CD2-CZ 3.33Å; L242-F346 HydrophobicContact CG-CE1 4.33Å; L242-F346 HydrophobicContact CG-CZ 4.43Å; L246-F346 HydrophobicContact CD1-CD1 4.48Å; L246-F346 HydrophobicContact CD2-CD1 4.3Å; S251-F346 WeakPolarHBondContact CB-O 3.19Å; F252-F346 HydrophobicContact CD2-CB 3.86Å; F252-F346 AromaticContact CD2-CD1 3.85Å; F252-F346 HydrophobicContact CD2-CD1 3.85Å; F252-F346 AromaticContact CD2-CG 3.82Å; F252-F346 HydrophobicContact CD2-CG 3.82Å; F252-F346 AromaticContact CE2-CD1 3.8Å; F252-F346 HydrophobicContact CE2-CD1 3.8Å; F252-F346 HydrophobicContact CE2-CE1 4.2Å; F252-F346 HydrophobicContact CE2-CG 4.22Å; F252-F346 PolarHBondContact N-O 2.85Å; T257-F346 HydrophobicContact CG2-CB 3.71Å; T257-F346 HydrophobicContact CG2-CD2 4.1Å; T257-F346 HydrophobicContact CG2-CG 4.44Å; I261-F346 HydrophobicContact CD1-CD2 4.49Å; I261-F346 HydrophobicContact CD1-CE2 4.46Å; L286-F346 HydrophobicContact CD1-CZ 4.44Å; L342-F346 HydrophobicContact CB-CE2 4.27Å; L342-F346 HydrophobicContact CB-CZ 4.19Å; L342-F346 HydrophobicContact CD2-CE1 3.99Å; L342-F346 HydrophobicContact CD2-CZ 3.91Å; L342-F346 HydrophobicContact CG-CZ 4.49Å; L342-F346 WeakPolarHBondContact O-CB 3.38Å; L342-F346 WeakPolarHBondContact O-CD2 3.44Å; L342-F346 WeakPolarHBondContact O-CG 3.31Å; L342-F346 PolarHBondContact O-N 3.06Å; Y344-F346 PolarHBondContact O-N 3.43Å
347	L	97.4	Very high	95.4	Very high	12 Å²	12	28.6 Å²	28.6	6%	0.063	15%	0.148	C	C	.	.	H	α-helix	trans	-73	-35.1	-179.5	-64.1	164.9	0	0	0	112.8	S251 E254 T257 C343 Y344 E345 I378 A382 W408	S251-L347 WeakPolarHBondContact CB-O 3.45Å; E254-L347 HydrophobicContact CG-CD2 3.92Å; T257-L347 HydrophobicContact CG2-CD2 3.98Å; T257-L347 HydrophobicContact CG2-CG 3.94Å; C343-L347 WeakPolarHBondContact O-CD1 3.42Å; C343-L347 VanDerWaalsContact O-CG 3.28Å; C343-L347 WeakPolarHBondContact O-CG 3.44Å; C343-L347 PolarHBondContact O-N 3Å; Y344-L347 PolarHBondContact O-N 2.94Å; E345-L347 VanDerWaalsContact C-N 3.32Å; E345-L347 PolarHBondContact O-N 3.31Å; L347-I378 HydrophobicContact CB-CD1 4.09Å; L347-I378 HydrophobicContact CB-CG1 4.34Å; L347-I378 HydrophobicContact CD1-CG2 4.09Å; L347-A382 HydrophobicContact CD1-CB 3.83Å; L347-W408 HydrophobicContact CD2-CZ2 4.33Å
348	V	96.4	Very high	94.8	Very high	24 Å²	24	35.6 Å²	35.6	15%	0.145	18%	0.18	C	C	.	.	H	α-helix	trans	-104.7	-22.5	-168.8	177.4	0	0	0	0	113	Y344 E345 K350 Y372 P373 I378	Y344-V348 HydrophobicContact CD1-CB 4.01Å; Y344-V348 HydrophobicContact CD1-CG2 4.01Å; Y344-V348 HydrophobicContact CD2-CG2 4.32Å; Y344-V348 HydrophobicContact CE1-CB 3.61Å; Y344-V348 HydrophobicContact CE1-CG1 3.69Å; Y344-V348 HydrophobicContact CE1-CG2 3.66Å; Y344-V348 HydrophobicContact CE2-CG2 4.01Å; Y344-V348 HydrophobicContact CG-CG2 4.33Å; Y344-V348 WeakPolarHBondContact O-CB 3.33Å; Y344-V348 WeakPolarHBondContact O-CG2 3.39Å; Y344-V348 PolarHBondContact O-N 3.43Å; E345-V348 PolarHBondContact O-N 2.94Å; V348-K350 VanDerWaalsContact C-N 3.34Å; V348-K350 HydrophobicContact CG1-CG 3.84Å; V348-Y372 HydrophobicContact CG2-CD1 4.3Å; V348-P373 HydrophobicContact CG1-CG 3.72Å; V348-I378 HydrophobicContact CG2-CD1 3.6Å
349	G	93.4	Very high	94.5	Very high	18 Å²	18	41 Å²	41	19%	0.186	21%	0.208	C	C	.	.	S	Bend	trans	86.3	-1.2	-176.4	0	0	0	0	0	115.6	G250 E345	G250-G349 WeakPolarHBondContact O-CA 3.32Å; E345-G349 WeakPolarHBondContact O-CA 3.16Å; E345-G349 PolarHBondContact O-N 3.3Å
350	K	92.5	Very high	94.2	Very high	104 Å²	104	43 Å²	43	45%	0.452	22%	0.218	S	C	.	.	S	Bend	trans	-149.4	153.3	178.5	55.5	172.9	-179.5	-177.8	0	111.6	Y344 E345 V348 E354	Y344-K350 WeakPolarHBondContact CD1-O 3.44Å; Y344-K350 VanDerWaalsContact CE1-O 3.29Å; Y344-K350 WeakPolarHBondContact CE1-O 3.28Å; E345-K350 WeakPolarHBondContact CA-O 3.23Å; V348-K350 VanDerWaalsContact C-N 3.34Å; V348-K350 HydrophobicContact CG1-CG 3.84Å; K350-E354 WeakPolarHBondContact CB-OE2 3.42Å
351	P	94.6	Very high	93.9	Very high	14 Å²	14	43.1 Å²	43.1	9%	0.091	22%	0.219	C	C	.	.			trans	-60.7	148.2	177.4	-22.7	33.2	0	0	0	113	D318 F353 E354	D318-P351 HydrophobicContact CB-CB 3.93Å; D318-P351 HydrophobicContact CB-CG 4.12Å; P351-F353 VanDerWaalsContact C-N 3.28Å; P351-F353 PolarHBondContact O-N 2.85Å; P351-E354 HydrophobicContact CB-CB 4.3Å; P351-E354 PolarHBondContact O-N 3.42Å
352	P	96.9	Very high	93.5	Very high	6 Å²	6	47.8 Å²	47.8	4%	0.039	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-29.6	-177.2	22.2	-29.6	0	0	0	113.9	V341 Y344 Y370 L390	V341-P352 HydrophobicContact CG1-CG 4.33Å; V341-P352 HydrophobicContact CG2-CG 4.37Å; Y344-P352 HydrophobicContact CD1-CB 3.63Å; Y344-P352 HydrophobicContact CD1-CG 4.01Å; Y344-P352 HydrophobicContact CD2-CB 3.93Å; Y344-P352 VanDerWaalsContact CE1-CA 3.41Å; Y344-P352 HydrophobicContact CE1-CB 3.83Å; Y344-P352 HydrophobicContact CE2-CB 4.11Å; Y344-P352 HydrophobicContact CG-CB 3.7Å; Y344-P352 HydrophobicContact CG-CG 4.05Å; P352-Y370 HydrophobicContact CB-CD2 4.17Å; P352-Y370 HydrophobicContact CB-CG 3.97Å; P352-Y370 WeakPolarHBondContact O-CB 3.19Å; P352-L390 HydrophobicContact CG-CD1 4.17Å
353	F	96.8	Very high	93.5	Very high	0 Å²	0	52 Å²	52	0%	0	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.6	1.8	-174.5	-49.7	-64.9	0	0	0	113.5	W337 V341 P351 A355 T361 R364 I365 V368 Y370 L390	W337-F353 AromaticContact CE2-CE2 3.98Å; W337-F353 HydrophobicContact CH2-CE1 4.49Å; W337-F353 AromaticContact CH2-CE2 3.72Å; W337-F353 HydrophobicContact CH2-CE2 3.72Å; W337-F353 AromaticContact CH2-CZ 3.54Å; W337-F353 HydrophobicContact CH2-CZ 3.54Å; W337-F353 HydrophobicContact CZ2-CD2 4.02Å; W337-F353 AromaticContact CZ2-CE2 3.19Å; W337-F353 HydrophobicContact CZ2-CE2 3.19Å; W337-F353 AromaticContact CZ2-CZ 3.55Å; W337-F353 HydrophobicContact CZ2-CZ 3.55Å; V341-F353 HydrophobicContact CG2-CD2 4.5Å; V341-F353 HydrophobicContact CG2-CE2 4.08Å; P351-F353 VanDerWaalsContact C-N 3.28Å; P351-F353 PolarHBondContact O-N 2.85Å; F353-A355 PolarHBondContact O-N 3.47Å; F353-T361 HydrophobicContact CB-CG2 4.46Å; F353-R364 HydrophobicContact CB-CB 4.17Å; F353-R364 HydrophobicContact CD1-CB 4.06Å; F353-I365 HydrophobicContact CB-CG1 3.72Å; F353-I365 HydrophobicContact CD1-CG1 4.42Å; F353-I365 HydrophobicContact CD2-CG1 3.8Å; F353-I365 HydrophobicContact CG-CG1 3.71Å; F353-V368 HydrophobicContact CZ-CG1 4.36Å; F353-Y370 AromaticContact CE1-CD1 3.79Å; F353-Y370 HydrophobicContact CE1-CD1 3.79Å; F353-Y370 HydrophobicContact CE1-CG 4.29Å; F353-Y370 HydrophobicContact CZ-CD1 4.12Å; F353-L390 HydrophobicContact CE2-CD1 4.33Å; F353-L390 HydrophobicContact CE2-CD2 4.41Å; F353-L390 HydrophobicContact CZ-CD1 4.02Å
354	E	91.4	Very high	93.4	Very high	92 Å²	92	55.8 Å²	55.8	43%	0.43	27%	0.267	S	S	.	.			trans	-55.8	131.5	-178.7	-171.6	-170.7	172.4	0	0	110.3	K350 P351 R364	K350-E354 WeakPolarHBondContact CB-OE2 3.42Å; P351-E354 HydrophobicContact CB-CB 4.3Å; P351-E354 PolarHBondContact O-N 3.42Å; E354-R364 PolarHBondContact O-NH1 2.83Å
355	A	90.5	Very high	93.3	Very high	28 Å²	28	55.4 Å²	55.4	23%	0.231	27%	0.266	C	S	.	.			trans	-146.3	169.2	179.3	0	0	0	0	0	111.8	F353 T357 E360 T361	F353-A355 PolarHBondContact O-N 3.47Å; A355-T357 VanDerWaalsContact C-N 3.27Å; A355-T357 PolarHBondContact O-N 3Å; A355-E360 HydrophobicContact CB-CB 3.6Å; A355-E360 HydrophobicContact CB-CG 3.33Å; A355-T361 PolarHBondContact N-OG1 2.91Å
356	K	88.4	Confident	93.2	Very high	212 Å²	212	57 Å²	57	92%	0.922	28%	0.277	S	S	*	.	S	Bend	trans	-66.1	-26.7	-177.7	-65.9	-176	-179.8	179.8	0	113.6
357	T	87.5	Confident	93.2	Very high	75 Å²	75	65 Å²	65	46%	0.46	31%	0.307	S	S	.	.	S	Bend	trans	-130.6	148.3	-177.3	67.3	0	0	0	0	110.4	A355 D359 E360 T361	A355-T357 VanDerWaalsContact C-N 3.27Å; A355-T357 PolarHBondContact O-N 3Å; T357-D359 VanDerWaalsContact C-N 3.25Å; T357-D359 PolarHBondContact O-N 3.19Å; T357-E360 WeakPolarHBondContact O-CB 3.48Å; T357-E360 PolarHBondContact O-N 2.9Å; T357-E360 VanDerWaalsContact O-N 3.13Å; T357-E360 WeakPolarHBondContact OG1-CB 3.5Å; T357-E360 PolarHBondContact OG1-N 3.18Å; T357-T361 PolarHBondContact O-N 3.37Å; T357-T361 PolarHBondContact O-OG1 3.44Å
358	H	86.4	Confident	93.2	Very high	147 Å²	147	65.9 Å²	65.9	68%	0.681	31%	0.313	S	S	*	.	H	α-helix	trans	-60.4	-34.9	177.7	-66	170.9	0	0	0	112.6	L317 E360 T361 Y362	L317-H358 HydrophobicContact CD2-CB 3.76Å; H358-E360 VanDerWaalsContact C-N 3.31Å; H358-E360 PolarHBondContact O-N 3.44Å; H358-T361 PolarHBondContact O-N 3.43Å; H358-Y362 WeakPolarHBondContact O-CB 3.44Å; H358-Y362 PolarHBondContact O-N 3.21Å
359	D	88.8	Confident	93.3	Very high	117 Å²	117	69.2 Å²	69.2	63%	0.626	33%	0.327	S	S	*	.	H	α-helix	trans	-66.3	-34.5	177.4	-65.5	-25.1	0	0	0	112.1	T357 R363	T357-D359 VanDerWaalsContact C-N 3.25Å; T357-D359 PolarHBondContact O-N 3.19Å; D359-R363 WeakPolarHBondContact O-CB 3.48Å; D359-R363 PolarHBondContact O-N 2.64Å
360	E	92.4	Very high	93.5	Very high	43 Å²	43	71 Å²	71	20%	0.201	33%	0.328	C	S	.	.	H	α-helix	trans	-68.6	-47.9	174	-173.6	64	-146.2	0	0	110.8	A355 T357 H358 Y362 R363 R364	A355-E360 HydrophobicContact CB-CB 3.6Å; A355-E360 HydrophobicContact CB-CG 3.33Å; T357-E360 WeakPolarHBondContact O-CB 3.48Å; T357-E360 PolarHBondContact O-N 2.9Å; T357-E360 VanDerWaalsContact O-N 3.13Å; T357-E360 WeakPolarHBondContact OG1-CB 3.5Å; T357-E360 PolarHBondContact OG1-N 3.18Å; H358-E360 VanDerWaalsContact C-N 3.31Å; H358-E360 PolarHBondContact O-N 3.44Å; E360-Y362 VanDerWaalsContact C-N 3.3Å; E360-Y362 PolarHBondContact O-N 3.47Å; E360-R363 PolarHBondContact O-N 3.28Å; E360-R363 VanDerWaalsContact O-N 3.16Å; E360-R363 IonicContact OE1-CZ 3.41Å; E360-R363 IonicContact OE1-NH1 2.86Å; E360-R363 PolarHBondContact OE1-NH1 2.76Å; E360-R363 IonicContact OE2-CZ 3.18Å; E360-R363 IonicContact OE2-NH1 3.03Å; E360-R363 PolarHBondContact OE2-NH1 2.83Å; E360-R363 IonicContact OE2-NH2 2.75Å; E360-R363 PolarHBondContact OE2-NH2 3.04Å; E360-R364 WeakPolarHBondContact O-CG 3.46Å; E360-R364 PolarHBondContact O-N 3.12Å; E360-R364 IonicContact OE1-NE 2.79Å; E360-R364 PolarHBondContact OE1-NE 2.84Å
361	T	91.8	Very high	93.6	Very high	3 Å²	3	70.4 Å²	70.4	2%	0.018	34%	0.337	C	S	.	.	H	α-helix	trans	-56.8	-45.8	175.3	-56.2	0	0	0	0	110.7	L317 F353 A355 T357 H358 R363 R364 I365	L317-T361 HydrophobicContact CD2-CG2 3.93Å; L317-T361 HydrophobicContact CG-CG2 3.83Å; F353-T361 HydrophobicContact CB-CG2 4.46Å; A355-T361 PolarHBondContact N-OG1 2.91Å; T357-T361 PolarHBondContact O-N 3.37Å; T357-T361 PolarHBondContact O-OG1 3.44Å; H358-T361 PolarHBondContact O-N 3.43Å; T361-R363 VanDerWaalsContact C-N 3.35Å; T361-R363 PolarHBondContact O-N 3.3Å; T361-R364 PolarHBondContact O-N 3.43Å; T361-I365 HydrophobicContact CG2-CD1 3.86Å; T361-I365 HydrophobicContact CG2-CG1 4.48Å; T361-I365 VanDerWaalsContact O-CG1 3.3Å; T361-I365 WeakPolarHBondContact O-CG1 3.41Å; T361-I365 PolarHBondContact O-N 2.86Å
362	Y	91	Very high	93.6	Very high	97 Å²	97	71.8 Å²	71.8	38%	0.38	34%	0.341	S	S	.	.	H	α-helix	trans	-57.4	-47.1	176.2	-175.1	-76.9	0	0	0	111.5	I325 H358 E360 R364 I365 S366	I325-Y362 HydrophobicContact CB-CD2 3.92Å; I325-Y362 HydrophobicContact CB-CE2 3.51Å; I325-Y362 HydrophobicContact CD1-CD1 4.19Å; I325-Y362 HydrophobicContact CD1-CD2 3.82Å; I325-Y362 HydrophobicContact CD1-CE1 4.12Å; I325-Y362 HydrophobicContact CD1-CE2 3.81Å; I325-Y362 HydrophobicContact CD1-CG 4.01Å; I325-Y362 HydrophobicContact CG1-CD2 4.32Å; I325-Y362 HydrophobicContact CG1-CE2 3.91Å; I325-Y362 WeakPolarHBondContact O-CE2 3.5Å; I325-Y362 PolarHBondContact O-OH 2.85Å; I325-Y362 VanDerWaalsContact O-OH 3.12Å; H358-Y362 WeakPolarHBondContact O-CB 3.44Å; H358-Y362 PolarHBondContact O-N 3.21Å; E360-Y362 VanDerWaalsContact C-N 3.3Å; E360-Y362 PolarHBondContact O-N 3.47Å; Y362-R364 PolarHBondContact O-N 3.39Å; Y362-I365 PolarHBondContact O-N 3.48Å; Y362-S366 WeakPolarHBondContact O-CB 3.31Å; Y362-S366 PolarHBondContact O-N 3.13Å
363	R	95.5	Very high	93.3	Very high	89 Å²	89	73.4 Å²	73.4	34%	0.336	35%	0.352	S	S	.	.	H	α-helix	trans	-63.1	-43.3	179.8	-163.1	-170.6	-38.8	117.7	15	111.7	D359 E360 T361 S366 R367	D359-R363 WeakPolarHBondContact O-CB 3.48Å; D359-R363 PolarHBondContact O-N 2.64Å; E360-R363 PolarHBondContact O-N 3.28Å; E360-R363 VanDerWaalsContact O-N 3.16Å; E360-R363 IonicContact OE1-CZ 3.41Å; E360-R363 IonicContact OE1-NH1 2.86Å; E360-R363 PolarHBondContact OE1-NH1 2.76Å; E360-R363 IonicContact OE2-CZ 3.18Å; E360-R363 IonicContact OE2-NH1 3.03Å; E360-R363 PolarHBondContact OE2-NH1 2.83Å; E360-R363 IonicContact OE2-NH2 2.75Å; E360-R363 PolarHBondContact OE2-NH2 3.04Å; T361-R363 VanDerWaalsContact C-N 3.35Å; T361-R363 PolarHBondContact O-N 3.3Å; R363-S366 PolarHBondContact O-N 3.33Å; R363-R367 WeakPolarHBondContact O-CB 3.43Å; R363-R367 WeakPolarHBondContact O-CG 3.36Å; R363-R367 PolarHBondContact O-N 3.48Å
364	R	97.2	Very high	92.7	Very high	79 Å²	79	80 Å²	80	30%	0.298	39%	0.394	S	S	.	.	H	α-helix	trans	-63.3	-43.1	177.9	-73.1	179.9	179.4	-160.2	-9.1	112	F353 E354 E360 T361 Y362 R367 V368 E369	F353-R364 HydrophobicContact CB-CB 4.17Å; F353-R364 HydrophobicContact CD1-CB 4.06Å; E354-R364 PolarHBondContact O-NH1 2.83Å; E360-R364 WeakPolarHBondContact O-CG 3.46Å; E360-R364 PolarHBondContact O-N 3.12Å; E360-R364 IonicContact OE1-NE 2.79Å; E360-R364 PolarHBondContact OE1-NE 2.84Å; T361-R364 PolarHBondContact O-N 3.43Å; Y362-R364 PolarHBondContact O-N 3.39Å; R364-R367 PolarHBondContact O-N 2.93Å; R364-V368 CarbonylContact O-C 3.6Å; R364-V368 VanDerWaalsContact O-CA 3.29Å; R364-V368 WeakPolarHBondContact O-CA 3.46Å; R364-V368 PolarHBondContact O-N 2.95Å; R364-E369 HydrophobicContact CB-CB 4.5Å; R364-E369 HydrophobicContact CG-CB 4.45Å; R364-E369 PolarHBondContact O-N 3.35Å
365	I	96.5	Very high	92.1	Very high	0 Å²	0	84 Å²	84	0%	0	42%	0.418	C	S	.	.	H	α-helix	trans	-61.4	-52	174.1	-67.5	166.1	0	0	0	110.3	L317 L320 P322 I325 W337 F353 T361 Y362 R367 V368	L317-I365 WeakPolarHBondContact O-CD1 3.31Å; L320-I365 WeakPolarHBondContact O-CG2 3.34Å; P322-I365 HydrophobicContact CG-CG2 4.06Å; I325-I365 HydrophobicContact CD1-CB 3.74Å; I325-I365 HydrophobicContact CD1-CG2 3.42Å; I325-I365 VanDerWaalsContact CD1-CG2 3.42Å; I325-I365 HydrophobicContact CG1-CG2 4.14Å; W337-I365 HydrophobicContact CH2-CG2 4.47Å; W337-I365 HydrophobicContact CZ2-CG2 3.92Å; F353-I365 HydrophobicContact CB-CG1 3.72Å; F353-I365 HydrophobicContact CD1-CG1 4.42Å; F353-I365 HydrophobicContact CD2-CG1 3.8Å; F353-I365 HydrophobicContact CG-CG1 3.71Å; T361-I365 HydrophobicContact CG2-CD1 3.86Å; T361-I365 HydrophobicContact CG2-CG1 4.48Å; T361-I365 VanDerWaalsContact O-CG1 3.3Å; T361-I365 WeakPolarHBondContact O-CG1 3.41Å; T361-I365 PolarHBondContact O-N 2.86Å; Y362-I365 PolarHBondContact O-N 3.48Å; I365-R367 VanDerWaalsContact C-N 3.25Å; I365-R367 PolarHBondContact O-N 3.38Å; I365-V368 PolarHBondContact O-N 3.17Å
366	S	95	Very high	91.5	Very high	36 Å²	36	83.8 Å²	83.8	25%	0.252	42%	0.416	S	S	.	.	H	α-helix	trans	-62.5	-30.8	-176.9	-176.5	0	0	0	0	113	E326 Y362 R363 H392	E326-S366 PolarHBondContact OE1-OG 2.8Å; E326-S366 VanDerWaalsContact OE1-OG 3.06Å; Y362-S366 WeakPolarHBondContact O-CB 3.31Å; Y362-S366 PolarHBondContact O-N 3.13Å; R363-S366 PolarHBondContact O-N 3.33Å; S366-H392 PolarHBondContact O-CD2 2.51Å; S366-H392 PolarHBondContact O-NE2 3.37Å
367	R	97	Very high	91.4	Very high	170 Å²	170	79.7 Å²	79.7	64%	0.642	41%	0.414	S	S	*	.	H	α-helix	trans	-93.5	-5.5	175.8	-65.6	-179.5	-179.5	-179.9	-2.8	114.1	R363 R364 I365 E369	R363-R367 WeakPolarHBondContact O-CB 3.43Å; R363-R367 WeakPolarHBondContact O-CG 3.36Å; R363-R367 PolarHBondContact O-N 3.48Å; R364-R367 PolarHBondContact O-N 2.93Å; I365-R367 VanDerWaalsContact C-N 3.25Å; I365-R367 PolarHBondContact O-N 3.38Å; R367-E369 HydrophobicContact CB-CB 4.2Å; R367-E369 PolarHBondContact O-N 2.83Å
368	V	97.6	Very high	91.8	Very high	29 Å²	29	76.9 Å²	76.9	18%	0.176	40%	0.396	C	S	.	.	T	Hydrogen-bonded Turn	trans	51.6	47.8	-171.1	-163	0	0	0	0	110.9	P322 W337 F353 R364 I365 Y370 L390 H392	P322-V368 HydrophobicContact CG-CG2 4.5Å; W337-V368 HydrophobicContact CH2-CG1 4.21Å; W337-V368 HydrophobicContact CH2-CG2 4.14Å; W337-V368 HydrophobicContact CZ3-CG1 4.29Å; W337-V368 HydrophobicContact CZ3-CG2 4.2Å; F353-V368 HydrophobicContact CZ-CG1 4.36Å; R364-V368 CarbonylContact O-C 3.6Å; R364-V368 VanDerWaalsContact O-CA 3.29Å; R364-V368 WeakPolarHBondContact O-CA 3.46Å; R364-V368 PolarHBondContact O-N 2.95Å; I365-V368 PolarHBondContact O-N 3.17Å; V368-Y370 HydrophobicContact CG1-CD1 4.35Å; V368-Y370 HydrophobicContact CG1-CE1 4.08Å; V368-L390 HydrophobicContact CG1-CB 4.21Å; V368-L390 WeakPolarHBondContact CG1-O 3.44Å; V368-H392 HydrophobicContact CG2-CB 3.71Å
369	E	97.6	Very high	92.2	Very high	95 Å²	95	71.9 Å²	71.9	44%	0.444	38%	0.377	S	S	.	.			trans	-98.3	105.7	-175.1	-172.7	-178.8	170.2	0	0	110.2	R364 R367	R364-E369 HydrophobicContact CB-CB 4.5Å; R364-E369 HydrophobicContact CG-CB 4.45Å; R364-E369 PolarHBondContact O-N 3.35Å; R367-E369 HydrophobicContact CB-CB 4.2Å; R367-E369 PolarHBondContact O-N 2.83Å
370	Y	97.1	Very high	92.6	Very high	56 Å²	56	70.2 Å²	70.2	22%	0.22	38%	0.38	C	S	.	.			trans	-147.7	159.4	175.4	68.5	-81.7	0	0	0	110.5	Y344 P352 F353 V368 Y372 V386 L390	Y344-Y370 AromaticContact CD2-CD2 3.95Å; Y344-Y370 HydrophobicContact CD2-CD2 3.95Å; Y344-Y370 HydrophobicContact CD2-CE2 4.17Å; Y344-Y370 AromaticContact CE2-CD2 3.73Å; Y344-Y370 HydrophobicContact CE2-CD2 3.73Å; Y344-Y370 HydrophobicContact CE2-CE2 4.29Å; P352-Y370 HydrophobicContact CB-CD2 4.17Å; P352-Y370 HydrophobicContact CB-CG 3.97Å; P352-Y370 WeakPolarHBondContact O-CB 3.19Å; F353-Y370 AromaticContact CE1-CD1 3.79Å; F353-Y370 HydrophobicContact CE1-CD1 3.79Å; F353-Y370 HydrophobicContact CE1-CG 4.29Å; F353-Y370 HydrophobicContact CZ-CD1 4.12Å; V368-Y370 HydrophobicContact CG1-CD1 4.35Å; V368-Y370 HydrophobicContact CG1-CE1 4.08Å; Y370-Y372 AromaticContact CE2-CE2 3.97Å; Y370-Y372 HydrophobicContact CE2-CE2 3.97Å; Y370-V386 HydrophobicContact CE2-CG1 4.05Å; Y370-L390 HydrophobicContact CD1-CD1 4.27Å; Y370-L390 HydrophobicContact CE1-CB 4.16Å; Y370-L390 HydrophobicContact CE1-CD1 3.85Å; Y370-L390 HydrophobicContact CE2-CD1 4.39Å
371	S	95.6	Very high	92.9	Very high	91 Å²	91	69.3 Å²	69.3	64%	0.636	38%	0.382	S	S	*	.			trans	-140	151.8	179.6	62.4	0	0	0	0	110.7	Y344	Y344-S371 PolarHBondContact OH-O 3.2Å
372	Y	94.6	Very high	93.2	Very high	42 Å²	42	69.2 Å²	69.2	17%	0.165	38%	0.382	C	S	.	.			trans	-85.6	139.9	172.6	-64.7	-83	0	0	0	110.7	Y344 V348 Y370 I378 R383 V386	Y344-Y372 HydrophobicContact CD2-CD1 4.1Å; Y344-Y372 AromaticContact CD2-CE1 3.53Å; Y344-Y372 HydrophobicContact CD2-CE1 3.53Å; Y344-Y372 AromaticContact CE2-CD1 3.67Å; Y344-Y372 HydrophobicContact CE2-CD1 3.67Å; Y344-Y372 AromaticContact CE2-CE1 3.57Å; Y344-Y372 HydrophobicContact CE2-CE1 3.57Å; Y344-Y372 HydrophobicContact CE2-CG 4.35Å; V348-Y372 HydrophobicContact CG2-CD1 4.3Å; Y370-Y372 AromaticContact CE2-CE2 3.97Å; Y370-Y372 HydrophobicContact CE2-CE2 3.97Å; Y372-I378 HydrophobicContact CD1-CD1 3.51Å; Y372-I378 HydrophobicContact CE1-CD1 4.07Å; Y372-I378 HydrophobicContact CG-CD1 4.47Å; Y372-R383 HydrophobicContact CD2-CG 4.22Å; Y372-R383 HydrophobicContact CE1-CG 4.15Å; Y372-R383 HydrophobicContact CE2-CB 4.21Å; Y372-R383 HydrophobicContact CE2-CG 3.8Å; Y372-V386 WeakPolarHBondContact OH-CB 3.25Å; Y372-V386 WeakPolarHBondContact OH-CG1 3.33Å
373	P	90.7	Very high	93.5	Very high	41 Å²	41	69.3 Å²	69.3	27%	0.266	38%	0.381	S	S	.	.			trans	-58.8	135.8	173.4	-20.6	31.1	0	0	0	110.9	V348 L375 A376	V348-P373 HydrophobicContact CG1-CG 3.72Å; P373-L375 PolarHBondContact O-N 3Å; P373-L375 VanDerWaalsContact O-N 3.14Å; P373-A376 HydrophobicContact CB-CB 4Å; P373-A376 HydrophobicContact CG-CB 4.18Å; P373-A376 WeakPolarHBondContact O-CB 3.08Å; P373-A376 PolarHBondContact O-N 3.05Å
374	P	83.6	Confident	93.7	Very high	138 Å²	138	68.1 Å²	68.1	90%	0.896	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-30.4	-178.7	-27	34.7	0	0	0	114.2
375	L	78.8	Confident	93.8	Very high	176 Å²	176	64.4 Å²	64.4	92%	0.921	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-8.9	179.6	-61.5	174.2	0	0	0	113.4	P373 S377	P373-L375 PolarHBondContact O-N 3Å; P373-L375 VanDerWaalsContact O-N 3.14Å; L375-S377 PolarHBondContact O-N 3.21Å
376	A	78.6	Confident	93.9	Very high	24 Å²	24	64.4 Å²	64.4	20%	0.198	37%	0.368	C	S	.	.			trans	-82.2	107.3	178.8	0	0	0	0	0	109.6	P373 I378	P373-A376 HydrophobicContact CB-CB 4Å; P373-A376 HydrophobicContact CG-CB 4.18Å; P373-A376 WeakPolarHBondContact O-CB 3.08Å; P373-A376 PolarHBondContact O-N 3.05Å; A376-I378 HydrophobicContact CB-CD1 3.76Å; A376-I378 HydrophobicContact CB-CG1 4.01Å; A376-I378 PolarHBondContact O-N 2.93Å
377	S	87	Confident	94	Very high	126 Å²	126	64.3 Å²	64.3	88%	0.881	37%	0.369	S	S	*	.			trans	-74.2	76.5	174	-177	0	0	0	0	110.5	L375	L375-S377 PolarHBondContact O-N 3.21Å
378	I	94.3	Very high	94.1	Very high	16 Å²	16	59.8 Å²	59.8	8%	0.082	35%	0.354	C	S	.	.			trans	-103.6	126.3	178.2	-59.9	165.8	0	0	0	108.9	L347 V348 Y372 A376 A382 R383	L347-I378 HydrophobicContact CB-CD1 4.09Å; L347-I378 HydrophobicContact CB-CG1 4.34Å; L347-I378 HydrophobicContact CD1-CG2 4.09Å; V348-I378 HydrophobicContact CG2-CD1 3.6Å; Y372-I378 HydrophobicContact CD1-CD1 3.51Å; Y372-I378 HydrophobicContact CE1-CD1 4.07Å; Y372-I378 HydrophobicContact CG-CD1 4.47Å; A376-I378 HydrophobicContact CB-CD1 3.76Å; A376-I378 HydrophobicContact CB-CG1 4.01Å; A376-I378 PolarHBondContact O-N 2.93Å; I378-A382 HydrophobicContact CG2-CB 3.65Å; I378-R383 HydrophobicContact CG2-CG 3.89Å; I378-R383 PolarHBondContact O-NE 3.48Å; I378-R383 PolarHBondContact O-NH2 3.14Å
379	S	96.5	Very high	94.2	Very high	41 Å²	41	58.4 Å²	58.4	29%	0.287	35%	0.346	S	S	.	.			trans	-63.3	157.5	-176.8	72.1	0	0	0	0	112.7	E254 G381 A382 R383 W408	E254-S379 VanDerWaalsContact CD-OG 3.27Å; E254-S379 WeakPolarHBondContact OE1-CB 3.36Å; E254-S379 PolarHBondContact OE1-N 3.11Å; E254-S379 PolarHBondContact OE1-OG 3.26Å; E254-S379 VanDerWaalsContact OE1-OG 3.08Å; E254-S379 VanDerWaalsContact OE2-CB 3.22Å; E254-S379 WeakPolarHBondContact OE2-CB 3.36Å; E254-S379 PolarHBondContact OE2-OG 3.07Å; S379-G381 PolarHBondContact O-N 3.23Å; S379-A382 PolarHBondContact O-N 2.91Å; S379-A382 PolarHBondContact OG-N 3.31Å; S379-R383 WeakPolarHBondContact O-CG 3.5Å; S379-R383 PolarHBondContact O-N 3.42Å; S379-W408 PolarHBondContact OG-NE1 3.01Å
380	A	97	Very high	94.2	Very high	83 Å²	83	54.1 Å²	54.1	69%	0.686	33%	0.326	S	S	*	.	H	α-helix	trans	-60.4	-36	175.6	0	0	0	0	0	111.8	R383 D384	A380-R383 PolarHBondContact O-N 3.46Å; A380-D384 WeakPolarHBondContact O-CB 3.36Å; A380-D384 PolarHBondContact O-N 3.1Å
381	G	98	Very high	94.3	Very high	24 Å²	24	55.2 Å²	55.2	25%	0.247	33%	0.332	C	S	.	.	H	α-helix	trans	-65.6	-42.4	179	0	0	0	0	0	113.3	S379 D384 L385 H406	S379-G381 PolarHBondContact O-N 3.23Å; G381-D384 PolarHBondContact O-N 3.1Å; G381-L385 PolarHBondContact O-N 3.05Å; G381-L385 VanDerWaalsContact O-N 3.1Å; G381-H406 PolarHBondContact O-CE1 2.98Å
382	A	98.1	Very high	94.4	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-62.8	-44.9	174.4	0	0	0	0	0	111.7	L347 I378 S379 D384 L385 V386 W408	L347-A382 HydrophobicContact CD1-CB 3.83Å; I378-A382 HydrophobicContact CG2-CB 3.65Å; S379-A382 PolarHBondContact O-N 2.91Å; S379-A382 PolarHBondContact OG-N 3.31Å; A382-D384 VanDerWaalsContact C-N 3.33Å; A382-D384 PolarHBondContact O-N 2.94Å; A382-L385 PolarHBondContact O-N 3.03Å; A382-V386 WeakPolarHBondContact O-CG2 3.37Å; A382-V386 PolarHBondContact O-N 3.36Å; A382-V386 VanDerWaalsContact O-N 3.14Å; A382-W408 HydrophobicContact CB-CD2 4.07Å; A382-W408 HydrophobicContact CB-CG 4.48Å; A382-W408 HydrophobicContact CB-CH2 4.37Å; A382-W408 HydrophobicContact CB-CZ2 3.69Å
383	R	98.1	Very high	94.5	Very high	99 Å²	99	55.4 Å²	55.4	37%	0.374	33%	0.326	S	S	.	.	H	α-helix	trans	-63	-39.9	177.4	-64.7	178.5	-169.7	-149.6	-3.5	112	Y372 I378 S379 A380 V386 A387	Y372-R383 HydrophobicContact CD2-CG 4.22Å; Y372-R383 HydrophobicContact CE1-CG 4.15Å; Y372-R383 HydrophobicContact CE2-CB 4.21Å; Y372-R383 HydrophobicContact CE2-CG 3.8Å; I378-R383 HydrophobicContact CG2-CG 3.89Å; I378-R383 PolarHBondContact O-NE 3.48Å; I378-R383 PolarHBondContact O-NH2 3.14Å; S379-R383 WeakPolarHBondContact O-CG 3.5Å; S379-R383 PolarHBondContact O-N 3.42Å; A380-R383 PolarHBondContact O-N 3.46Å; R383-V386 PolarHBondContact O-N 2.85Å; R383-A387 VanDerWaalsContact O-CB 3.25Å; R383-A387 WeakPolarHBondContact O-CB 3.49Å; R383-A387 PolarHBondContact O-N 2.63Å
384	D	98.6	Very high	94.8	Very high	65 Å²	65	54.7 Å²	54.7	35%	0.348	32%	0.321	S	S	.	.	H	α-helix	trans	-61.5	-46.6	177.1	-179	56.4	0	0	0	111.6	A380 G381 A382 V386 A387 K388 H406	A380-D384 WeakPolarHBondContact O-CB 3.36Å; A380-D384 PolarHBondContact O-N 3.1Å; G381-D384 PolarHBondContact O-N 3.1Å; A382-D384 VanDerWaalsContact C-N 3.33Å; A382-D384 PolarHBondContact O-N 2.94Å; D384-V386 PolarHBondContact O-N 2.87Å; D384-A387 PolarHBondContact O-N 3.17Å; D384-K388 WeakPolarHBondContact O-CB 3.13Å; D384-K388 VanDerWaalsContact O-CG 3.31Å; D384-K388 WeakPolarHBondContact O-CG 3.36Å; D384-K388 PolarHBondContact O-N 3.14Å; D384-K388 VanDerWaalsContact OD1-CE 3.23Å; D384-K388 WeakPolarHBondContact OD1-CE 3.36Å; D384-K388 IonicContact OD1-NZ 3.48Å; D384-K388 PolarHBondContact OD1-NZ 3Å; D384-K388 VanDerWaalsContact OD2-CE 3.29Å; D384-K388 WeakPolarHBondContact OD2-CE 3.43Å; D384-K388 IonicContact OD2-NZ 2.65Å; D384-K388 PolarHBondContact OD2-NZ 3.04Å; D384-H406 IonicContact OD2-CE1 3.61Å; D384-H406 IonicContact OD2-NE2 3.09Å; D384-H406 PolarHBondContact OD2-NE2 3Å; D384-H406 VanDerWaalsContact OD2-NE2 3.09Å
385	L	98.8	Very high	95.4	Very high	0 Å²	0	54 Å²	54	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-58.9	-50.3	176.1	178.1	62.4	0	0	0	111.9	I261 G381 A382 A387 K388 L389 L398 V403 H406 W408 V409	I261-L385 HydrophobicContact CG2-CD2 4.14Å; G381-L385 PolarHBondContact O-N 3.05Å; G381-L385 VanDerWaalsContact O-N 3.1Å; A382-L385 PolarHBondContact O-N 3.03Å; L385-A387 VanDerWaalsContact C-N 3.33Å; L385-A387 PolarHBondContact O-N 2.97Å; L385-K388 PolarHBondContact O-N 3.49Å; L385-L389 HydrophobicContact CD1-CD1 3.95Å; L385-L389 HydrophobicContact CD1-CG 4.32Å; L385-L389 HydrophobicContact CG-CD1 4.07Å; L385-L389 PolarHBondContact O-N 3.35Å; L385-L398 HydrophobicContact CD1-CD2 3.79Å; L385-V403 HydrophobicContact CD1-CG1 4.25Å; L385-V403 HydrophobicContact CD1-CG2 4.4Å; L385-H406 HydrophobicContact CD1-CB 4.22Å; L385-W408 HydrophobicContact CD2-CE3 3.72Å; L385-W408 HydrophobicContact CD2-CZ3 3.75Å; L385-V409 HydrophobicContact CD2-CG2 3.58Å
386	V	98.6	Very high	96.3	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-59.3	-45.3	178.9	173.7	0	0	0	0	110.6	C343 Y344 Y370 Y372 A382 R383 D384 K388 L389 L390	C343-V386 HydrophobicContact CB-CG2 3.97Å; Y344-V386 HydrophobicContact CD2-CG1 4.37Å; Y370-V386 HydrophobicContact CE2-CG1 4.05Å; Y372-V386 WeakPolarHBondContact OH-CB 3.25Å; Y372-V386 WeakPolarHBondContact OH-CG1 3.33Å; A382-V386 WeakPolarHBondContact O-CG2 3.37Å; A382-V386 PolarHBondContact O-N 3.36Å; A382-V386 VanDerWaalsContact O-N 3.14Å; R383-V386 PolarHBondContact O-N 2.85Å; D384-V386 PolarHBondContact O-N 2.87Å; V386-K388 VanDerWaalsContact C-N 3.28Å; V386-K388 PolarHBondContact O-N 2.88Å; V386-L389 PolarHBondContact O-N 2.89Å; V386-L390 HydrophobicContact CG1-CD1 3.61Å; V386-L390 HydrophobicContact CG1-CG 4.1Å; V386-L390 WeakPolarHBondContact O-CB 3.34Å; V386-L390 PolarHBondContact O-N 2.78Å
387	A	98.5	Very high	97.2	Very high	34 Å²	34	51 Å²	51	28%	0.281	28%	0.284	S	S	.	.	H	α-helix	trans	-66.4	-27.2	179.9	0	0	0	0	0	113.6	R383 D384 L385 K391	R383-A387 VanDerWaalsContact O-CB 3.25Å; R383-A387 WeakPolarHBondContact O-CB 3.49Å; R383-A387 PolarHBondContact O-N 2.63Å; D384-A387 PolarHBondContact O-N 3.17Å; L385-A387 VanDerWaalsContact C-N 3.33Å; L385-A387 PolarHBondContact O-N 2.97Å; A387-K391 WeakPolarHBondContact O-CD 3.5Å; A387-K391 WeakPolarHBondContact O-CE 3.49Å; A387-K391 PolarHBondContact O-NZ 3.31Å
388	K	98.7	Very high	97.8	Very high	75 Å²	75	46.6 Å²	46.6	33%	0.326	25%	0.251	S	S	.	.	H	α-helix	trans	-80.1	-26.9	174.5	-74.3	173.1	173.9	164	0	113	D384 L385 V386 R397 L398	D384-K388 WeakPolarHBondContact O-CB 3.13Å; D384-K388 VanDerWaalsContact O-CG 3.31Å; D384-K388 WeakPolarHBondContact O-CG 3.36Å; D384-K388 PolarHBondContact O-N 3.14Å; D384-K388 VanDerWaalsContact OD1-CE 3.23Å; D384-K388 WeakPolarHBondContact OD1-CE 3.36Å; D384-K388 IonicContact OD1-NZ 3.48Å; D384-K388 PolarHBondContact OD1-NZ 3Å; D384-K388 VanDerWaalsContact OD2-CE 3.29Å; D384-K388 WeakPolarHBondContact OD2-CE 3.43Å; D384-K388 IonicContact OD2-NZ 2.65Å; D384-K388 PolarHBondContact OD2-NZ 3.04Å; L385-K388 PolarHBondContact O-N 3.49Å; V386-K388 VanDerWaalsContact C-N 3.28Å; V386-K388 PolarHBondContact O-N 2.88Å; K388-R397 WeakPolarHBondContact O-CA 3.32Å; K388-L398 HydrophobicContact CB-CB 4.04Å; K388-L398 HydrophobicContact CB-CD2 4.33Å; K388-L398 HydrophobicContact CD-CD2 4.39Å; K388-L398 PolarHBondContact O-N 2.89Å
389	L	98.6	Very high	97.9	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-85.7	-41.4	175.6	-72.7	170.7	0	0	0	112.9	L336 L339 L385 V386 K391 R397 L398 V403	L336-L389 HydrophobicContact CB-CD2 4.13Å; L339-L389 HydrophobicContact CB-CD1 4.45Å; L339-L389 HydrophobicContact CD2-CD1 4.34Å; L339-L389 HydrophobicContact CG-CD1 4.17Å; L385-L389 HydrophobicContact CD1-CD1 3.95Å; L385-L389 HydrophobicContact CD1-CG 4.32Å; L385-L389 HydrophobicContact CG-CD1 4.07Å; L385-L389 PolarHBondContact O-N 3.35Å; V386-L389 PolarHBondContact O-N 2.89Å; L389-K391 VanDerWaalsContact C-N 3.26Å; L389-K391 PolarHBondContact O-N 3.3Å; L389-R397 WeakPolarHBondContact O-CD 3.31Å; L389-R397 VanDerWaalsContact O-CG 3.32Å; L389-R397 WeakPolarHBondContact O-CG 2.99Å; L389-L398 HydrophobicContact CD2-CB 4.17Å; L389-V403 HydrophobicContact CD1-CG2 4.39Å; L389-V403 HydrophobicContact CD2-CG2 3.76Å; L389-V403 HydrophobicContact CG-CG2 4.44Å
390	L	98.6	Very high	98	Very high	5 Å²	5	47.8 Å²	47.8	3%	0.026	26%	0.258	C	S	.	.			trans	-82.2	70.9	178.9	-60.8	-174.9	0	0	0	110.6	W337 V341 P352 F353 V368 Y370 V386	W337-L390 HydrophobicContact CD2-CD2 3.9Å; W337-L390 HydrophobicContact CE3-CD2 3.88Å; W337-L390 HydrophobicContact CG-CD2 4.47Å; W337-L390 HydrophobicContact CH2-CD2 4.38Å; W337-L390 HydrophobicContact CZ2-CD2 4.4Å; W337-L390 HydrophobicContact CZ3-CB 4.3Å; W337-L390 HydrophobicContact CZ3-CD2 4.12Å; V341-L390 HydrophobicContact CG2-CD2 3.89Å; P352-L390 HydrophobicContact CG-CD1 4.17Å; F353-L390 HydrophobicContact CE2-CD1 4.33Å; F353-L390 HydrophobicContact CE2-CD2 4.41Å; F353-L390 HydrophobicContact CZ-CD1 4.02Å; V368-L390 HydrophobicContact CG1-CB 4.21Å; V368-L390 WeakPolarHBondContact CG1-O 3.44Å; Y370-L390 HydrophobicContact CD1-CD1 4.27Å; Y370-L390 HydrophobicContact CE1-CB 4.16Å; Y370-L390 HydrophobicContact CE1-CD1 3.85Å; Y370-L390 HydrophobicContact CE2-CD1 4.39Å; V386-L390 HydrophobicContact CG1-CD1 3.61Å; V386-L390 HydrophobicContact CG1-CG 4.1Å; V386-L390 WeakPolarHBondContact O-CB 3.34Å; V386-L390 PolarHBondContact O-N 2.78Å
391	K	98.4	Very high	98	Very high	80 Å²	80	48.2 Å²	48.2	35%	0.348	25%	0.246	S	C	.	.			trans	-108.2	138.6	169.8	-61.5	-56.3	-166.7	-157.8	0	110.9	A387 L389 H396 R397	A387-K391 WeakPolarHBondContact O-CD 3.5Å; A387-K391 WeakPolarHBondContact O-CE 3.49Å; A387-K391 PolarHBondContact O-NZ 3.31Å; L389-K391 VanDerWaalsContact C-N 3.26Å; L389-K391 PolarHBondContact O-N 3.3Å; K391-H396 HydrophobicContact CB-CB 4.05Å; K391-H396 HydrophobicContact CG-CB 4.07Å; K391-R397 HydrophobicContact CB-CG 3.99Å; K391-R397 PolarHBondContact O-NE 2.97Å; K391-R397 VanDerWaalsContact O-NE 3.11Å; K391-R397 PolarHBondContact O-NH2 3.4Å
392	H	97.7	Very high	97.9	Very high	70 Å²	70	47.9 Å²	47.9	32%	0.324	24%	0.242	S	C	.	.	S	Bend	trans	-59.3	-55.4	176.4	-176.1	-86.8	0	0	0	111	E326 S366 V368 P394	E326-H392 IonicContact OE1-CE1 3.84Å; E326-H392 IonicContact OE1-NE2 3.06Å; E326-H392 PolarHBondContact OE1-NE2 3.45Å; E326-H392 IonicContact OE2-CE1 2.75Å; E326-H392 IonicContact OE2-NE2 3.9Å; S366-H392 PolarHBondContact O-CD2 2.51Å; S366-H392 PolarHBondContact O-NE2 3.37Å; V368-H392 HydrophobicContact CG2-CB 3.71Å; H392-P394 VanDerWaalsContact O-CD 3.31Å; H392-P394 WeakPolarHBondContact O-CD 3.23Å
393	N	97.1	Very high	97.9	Very high	66 Å²	66	47.9 Å²	47.9	35%	0.353	24%	0.242	S	C	.	.	S	Bend	trans	-71.1	118.5	173.5	-175.2	-8.7	0	0	0	109.7	M395 H396	N393-M395 PolarHBondContact O-N 3.41Å; N393-M395 PolarHBondContact OD1-N 3.1Å; N393-M395 VanDerWaalsContact OD1-N 3.1Å; N393-H396 HydrophobicContact CB-CB 4.5Å; N393-H396 PolarHBondContact ND2-NE2 3.39Å; N393-H396 PolarHBondContact O-N 2.74Å
394	P	96.8	Very high	97.9	Very high	26 Å²	26	43.2 Å²	43.2	17%	0.169	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-54.8	-37.4	179.5	-25.9	35.3	0	0	0	112.9	E323 K333 H392 H396 R397	E323-P394 HydrophobicContact CG-CG 4.19Å; E323-P394 WeakPolarHBondContact OE1-CG 3.37Å; K333-P394 HydrophobicContact CB-CB 3.96Å; K333-P394 HydrophobicContact CD-CB 3.89Å; K333-P394 WeakPolarHBondContact CD-O 3.38Å; H392-P394 VanDerWaalsContact O-CD 3.31Å; H392-P394 WeakPolarHBondContact O-CD 3.23Å; P394-H396 PolarHBondContact O-N 3.04Å; P394-H396 VanDerWaalsContact O-N 3.13Å; P394-R397 WeakPolarHBondContact O-CB 3.37Å; P394-R397 WeakPolarHBondContact O-CG 3.35Å; P394-R397 PolarHBondContact O-N 3.02Å
395	M	96.4	Very high	97.8	Very high	125 Å²	125	43.5 Å²	43.5	62%	0.616	23%	0.232	S	C	*	.	G	3₁₀ helix	trans	-65.8	-16.7	-177.8	-61.5	-58.2	-62.1	0	0	114	K333 N393	K333-M395 HydrophobicContact CD-SD 4.18Å; K333-M395 VanDerWaalsContact CE-SD 3.55Å; N393-M395 PolarHBondContact O-N 3.41Å; N393-M395 PolarHBondContact OD1-N 3.1Å; N393-M395 VanDerWaalsContact OD1-N 3.1Å
396	H	97.9	Very high	97.8	Very high	128 Å²	128	43.9 Å²	43.9	59%	0.593	23%	0.234	S	C	*	.	G	3₁₀ helix	trans	-93.8	-5.3	178.1	-62.5	177.6	0	0	0	112.7	K391 N393 P394	K391-H396 HydrophobicContact CB-CB 4.05Å; K391-H396 HydrophobicContact CG-CB 4.07Å; N393-H396 HydrophobicContact CB-CB 4.5Å; N393-H396 PolarHBondContact ND2-NE2 3.39Å; N393-H396 PolarHBondContact O-N 2.74Å; P394-H396 PolarHBondContact O-N 3.04Å; P394-H396 VanDerWaalsContact O-N 3.13Å
397	R	98.6	Very high	97.8	Very high	8 Å²	8	48.1 Å²	48.1	3%	0.03	26%	0.261	C	S	.	.	S	Bend	trans	-68.1	141.1	177.4	-60.3	-177.4	-172.2	143	9.9	109.4	E323 K333 L336 K388 L389 K391 P394 P399	E323-R397 VanDerWaalsContact CD-NH2 3.31Å; E323-R397 IonicContact OE1-CZ 2.93Å; E323-R397 IonicContact OE1-NH1 2.8Å; E323-R397 PolarHBondContact OE1-NH1 3.45Å; E323-R397 IonicContact OE1-NH2 3.41Å; E323-R397 PolarHBondContact OE1-NH2 3.09Å; E323-R397 VanDerWaalsContact OE1-NH2 3.1Å; E323-R397 IonicContact OE2-CZ 2.98Å; E323-R397 IonicContact OE2-NH1 2.79Å; E323-R397 IonicContact OE2-NH2 2.99Å; E323-R397 PolarHBondContact OE2-NH2 3.48Å; K333-R397 PolarHBondContact O-NH1 2.65Å; L336-R397 HydrophobicContact CB-CB 4.42Å; L336-R397 HydrophobicContact CD1-CB 4.24Å; K388-R397 WeakPolarHBondContact O-CA 3.32Å; L389-R397 WeakPolarHBondContact O-CD 3.31Å; L389-R397 VanDerWaalsContact O-CG 3.32Å; L389-R397 WeakPolarHBondContact O-CG 2.99Å; K391-R397 HydrophobicContact CB-CG 3.99Å; K391-R397 PolarHBondContact O-NE 2.97Å; K391-R397 VanDerWaalsContact O-NE 3.11Å; K391-R397 PolarHBondContact O-NH2 3.4Å; P394-R397 WeakPolarHBondContact O-CB 3.37Å; P394-R397 WeakPolarHBondContact O-CG 3.35Å; P394-R397 PolarHBondContact O-N 3.02Å; R397-P399 WeakPolarHBondContact O-CD 3.48Å
398	L	98.4	Very high	97.8	Very high	34 Å²	34	46.8 Å²	46.8	18%	0.178	25%	0.249	C	C	.	.	P	Polyproline II helix	trans	-55.1	121.8	173.6	-172.4	62.8	0	0	0	110	L336 L385 K388 L389 V403	L336-L398 WeakPolarHBondContact CD1-O 3.42Å; L385-L398 HydrophobicContact CD1-CD2 3.79Å; K388-L398 HydrophobicContact CB-CB 4.04Å; K388-L398 HydrophobicContact CB-CD2 4.33Å; K388-L398 HydrophobicContact CD-CD2 4.39Å; K388-L398 PolarHBondContact O-N 2.89Å; L389-L398 HydrophobicContact CD2-CB 4.17Å; L398-V403 HydrophobicContact CD2-CG2 3.98Å; L398-V403 HydrophobicContact CG-CG2 4.22Å
399	P	97.6	Very high	97.7	Very high	74 Å²	74	43.2 Å²	43.2	48%	0.481	23%	0.233	S	C	.	.	P	Polyproline II helix	trans	-58	157.1	175.1	-24.8	35.2	0	0	0	111.8	R397 E401 G402 V403	R397-P399 WeakPolarHBondContact O-CD 3.48Å; P399-E401 VanDerWaalsContact C-N 3.26Å; P399-E401 PolarHBondContact O-N 3.47Å; P399-G402 WeakPolarHBondContact O-CA 3.29Å; P399-G402 PolarHBondContact O-N 3.49Å; P399-V403 PolarHBondContact O-N 3.4Å; P399-V403 VanDerWaalsContact O-N 3.11Å
400	I	97.3	Very high	97.6	Very high	7 Å²	7	48 Å²	48	4%	0.036	26%	0.258	C	S	.	.	H	α-helix	trans	-61	-36.5	-173.6	-164	65.9	0	0	0	112.1	A265 L268 H269 L336 L339 G402 V403 L404	A265-I400 HydrophobicContact CB-CD1 3.79Å; A265-I400 HydrophobicContact CB-CG1 4.44Å; A265-I400 WeakPolarHBondContact O-CG1 3.23Å; L268-I400 HydrophobicContact CB-CD1 4.2Å; H269-I400 HydrophobicContact CB-CG1 3.86Å; H269-I400 HydrophobicContact CB-CG2 3.94Å; H269-I400 WeakPolarHBondContact ND1-CG2 3.44Å; L336-I400 HydrophobicContact CD2-CB 4.02Å; L336-I400 HydrophobicContact CD2-CD1 3.75Å; L336-I400 HydrophobicContact CD2-CG1 4.49Å; L339-I400 HydrophobicContact CD2-CD1 4.05Å; I400-G402 VanDerWaalsContact C-N 3.28Å; I400-G402 PolarHBondContact O-N 3.23Å; I400-V403 WeakPolarHBondContact O-CB 3.33Å; I400-V403 PolarHBondContact O-N 3.11Å; I400-V403 VanDerWaalsContact O-N 3.1Å; I400-L404 WeakPolarHBondContact O-CG 3.46Å; I400-L404 PolarHBondContact O-N 3.14Å; I400-L404 VanDerWaalsContact O-N 3.1Å
401	E	96.4	Very high	97.5	Very high	92 Å²	92	55.7 Å²	55.7	43%	0.43	29%	0.294	S	S	.	.	H	α-helix	trans	-62.1	-39.5	174.5	-60	73.6	-159.5	0	0	110.9	H269 P399 V403 L404 S405	H269-E401 IonicContact CE1-OE1 3.07Å; H269-E401 PolarHBondContact CE1-OE1 3Å; H269-E401 IonicContact ND1-OE1 3.01Å; H269-E401 PolarHBondContact ND1-OE1 3.4Å; P399-E401 VanDerWaalsContact C-N 3.26Å; P399-E401 PolarHBondContact O-N 3.47Å; E401-V403 VanDerWaalsContact C-N 3.27Å; E401-V403 PolarHBondContact O-N 3.25Å; E401-L404 PolarHBondContact O-N 3.14Å; E401-S405 PolarHBondContact O-N 3.39Å; E401-S405 PolarHBondContact O-OG 3.3Å
402	G	97.6	Very high	97.4	Very high	17 Å²	17	53.4 Å²	53.4	18%	0.175	29%	0.288	C	S	.	.	H	α-helix	trans	-66.5	-27.6	175.7	0	0	0	0	0	113.3	P399 I400 H406	P399-G402 WeakPolarHBondContact O-CA 3.29Å; P399-G402 PolarHBondContact O-N 3.49Å; I400-G402 VanDerWaalsContact C-N 3.28Å; I400-G402 PolarHBondContact O-N 3.23Å; G402-H406 WeakPolarHBondContact O-CB 3.38Å; G402-H406 PolarHBondContact O-N 3.17Å; G402-H406 VanDerWaalsContact O-N 3.14Å
403	V	98.1	Very high	97.3	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-70.8	-46.5	171.3	-179	0	0	0	0	110.5	I261 A265 L339 L385 L389 L398 P399 I400 E401 S405 H406	I261-V403 HydrophobicContact CG2-CG1 3.93Å; A265-V403 HydrophobicContact CB-CB 4.44Å; A265-V403 HydrophobicContact CB-CG1 3.98Å; L339-V403 HydrophobicContact CD2-CG1 4Å; L339-V403 HydrophobicContact CD2-CG2 4.2Å; L385-V403 HydrophobicContact CD1-CG1 4.25Å; L385-V403 HydrophobicContact CD1-CG2 4.4Å; L389-V403 HydrophobicContact CD1-CG2 4.39Å; L389-V403 HydrophobicContact CD2-CG2 3.76Å; L389-V403 HydrophobicContact CG-CG2 4.44Å; L398-V403 HydrophobicContact CD2-CG2 3.98Å; L398-V403 HydrophobicContact CG-CG2 4.22Å; P399-V403 PolarHBondContact O-N 3.4Å; P399-V403 VanDerWaalsContact O-N 3.11Å; I400-V403 WeakPolarHBondContact O-CB 3.33Å; I400-V403 PolarHBondContact O-N 3.11Å; I400-V403 VanDerWaalsContact O-N 3.1Å; E401-V403 VanDerWaalsContact C-N 3.27Å; E401-V403 PolarHBondContact O-N 3.25Å; V403-S405 PolarHBondContact O-N 3.48Å; V403-H406 VanDerWaalsContact O-CB 3.31Å; V403-H406 WeakPolarHBondContact O-CB 3.22Å; V403-H406 PolarHBondContact O-N 3.38Å; V403-H406 VanDerWaalsContact O-N 3.11Å
404	L	97.4	Very high	97.1	Very high	2 Å²	2	52.9 Å²	52.9	1%	0.01	29%	0.293	C	S	.	.	H	α-helix	trans	-61.5	-31.5	179	-65.8	176.8	0	0	0	112.4	M262 A265 D266 H269 I400 E401 L410 P417 L420	M262-L404 HydrophobicContact SD-CD2 3.69Å; A265-L404 HydrophobicContact CB-CD2 3.6Å; A265-L404 HydrophobicContact CB-CG 4.26Å; D266-L404 HydrophobicContact CB-CD2 4.37Å; H269-L404 HydrophobicContact CB-CD1 4.36Å; I400-L404 WeakPolarHBondContact O-CG 3.46Å; I400-L404 PolarHBondContact O-N 3.14Å; I400-L404 VanDerWaalsContact O-N 3.1Å; E401-L404 PolarHBondContact O-N 3.14Å; L404-L410 WeakPolarHBondContact O-CD2 3.31Å; L404-P417 HydrophobicContact CD1-CB 4.37Å; L404-P417 HydrophobicContact CD2-CB 4.15Å; L404-L420 HydrophobicContact CB-CD1 4.07Å; L404-L420 HydrophobicContact CD1-CD1 3.99Å; L404-L420 HydrophobicContact CD1-CG 4.31Å
405	S	97.2	Very high	96.8	Very high	71 Å²	71	56.3 Å²	56.3	50%	0.497	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.5	8.8	177	73.2	0	0	0	0	114.1	E401 V403	E401-S405 PolarHBondContact O-N 3.39Å; E401-S405 PolarHBondContact O-OG 3.3Å; V403-S405 PolarHBondContact O-N 3.48Å
406	H	98.4	Very high	96.4	Very high	7 Å²	7	59.3 Å²	59.3	3%	0.032	32%	0.315	C	S	.	.			trans	-67.9	132.4	-176.2	-168.4	-87.1	0	0	0	110.5	G381 D384 L385 G402 V403 W408 V409 L410	G381-H406 PolarHBondContact O-CE1 2.98Å; D384-H406 IonicContact OD2-CE1 3.61Å; D384-H406 IonicContact OD2-NE2 3.09Å; D384-H406 PolarHBondContact OD2-NE2 3Å; D384-H406 VanDerWaalsContact OD2-NE2 3.09Å; L385-H406 HydrophobicContact CD1-CB 4.22Å; G402-H406 WeakPolarHBondContact O-CB 3.38Å; G402-H406 PolarHBondContact O-N 3.17Å; G402-H406 VanDerWaalsContact O-N 3.14Å; V403-H406 VanDerWaalsContact O-CB 3.31Å; V403-H406 WeakPolarHBondContact O-CB 3.22Å; V403-H406 PolarHBondContact O-N 3.38Å; V403-H406 VanDerWaalsContact O-N 3.11Å; H406-W408 VanDerWaalsContact C-N 3.34Å; H406-W408 PolarHBondContact ND1-N 3.35Å; H406-W408 PolarHBondContact O-N 3.24Å; H406-V409 HydrophobicContact CB-CB 4.23Å; H406-V409 HydrophobicContact CB-CG2 3.92Å; H406-V409 PolarHBondContact O-N 3.35Å; H406-L410 PolarHBondContact O-N 2.68Å
407	P	97.9	Very high	95.6	Very high	89 Å²	89	54.2 Å²	54.2	58%	0.578	29%	0.293	S	S	*	.	H	α-helix	trans	-52.3	-47.9	-174.2	-29.7	35.3	0	0	0	113.9	V409 L410 E411	P407-V409 VanDerWaalsContact C-N 3.31Å; P407-V409 PolarHBondContact O-N 3.21Å; P407-L410 PolarHBondContact O-N 3.08Å; P407-E411 VanDerWaalsContact O-CB 3.32Å; P407-E411 WeakPolarHBondContact O-CB 3.39Å; P407-E411 PolarHBondContact O-N 3.27Å
408	W	98.4	Very high	94.8	Very high	7 Å²	7	56.9 Å²	56.9	3%	0.027	31%	0.31	C	S	.	.	H	α-helix	trans	-61.2	-36.8	177.6	177.9	78.1	0	0	0	113.4	E254 T257 A258 L347 S379 A382 L385 H406 C412	E254-W408 HydrophobicContact CB-CZ2 3.89Å; E254-W408 HydrophobicContact CG-CZ2 4.27Å; E254-W408 PolarHBondContact OE2-NE1 2.85Å; T257-W408 HydrophobicContact CG2-CH2 3.77Å; A258-W408 HydrophobicContact CB-CE3 4.37Å; A258-W408 HydrophobicContact CB-CH2 3.87Å; A258-W408 HydrophobicContact CB-CZ2 4.21Å; A258-W408 HydrophobicContact CB-CZ3 3.95Å; L347-W408 HydrophobicContact CD2-CZ2 4.33Å; S379-W408 PolarHBondContact OG-NE1 3.01Å; A382-W408 HydrophobicContact CB-CD2 4.07Å; A382-W408 HydrophobicContact CB-CG 4.48Å; A382-W408 HydrophobicContact CB-CH2 4.37Å; A382-W408 HydrophobicContact CB-CZ2 3.69Å; L385-W408 HydrophobicContact CD2-CE3 3.72Å; L385-W408 HydrophobicContact CD2-CZ3 3.75Å; H406-W408 VanDerWaalsContact C-N 3.34Å; H406-W408 PolarHBondContact ND1-N 3.35Å; H406-W408 PolarHBondContact O-N 3.24Å; W408-C412 VanDerWaalsContact O-CB 3.3Å; W408-C412 WeakPolarHBondContact O-CB 3.48Å; W408-C412 PolarHBondContact O-N 2.93Å; W408-C412 PolarHBondContact O-SG 3.3Å
409	V	97.7	Very high	93.4	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-69.8	-44.8	178.5	179	0	0	0	0	109.6	I261 M262 L385 H406 P407 E411 S413	I261-V409 HydrophobicContact CG2-CG2 4.24Å; M262-V409 HydrophobicContact CB-CG1 4.09Å; M262-V409 HydrophobicContact CE-CG1 3.6Å; M262-V409 HydrophobicContact SD-CG1 4.3Å; L385-V409 HydrophobicContact CD2-CG2 3.58Å; H406-V409 HydrophobicContact CB-CB 4.23Å; H406-V409 HydrophobicContact CB-CG2 3.92Å; H406-V409 PolarHBondContact O-N 3.35Å; P407-V409 VanDerWaalsContact C-N 3.31Å; P407-V409 PolarHBondContact O-N 3.21Å; V409-E411 PolarHBondContact O-N 3.3Å; V409-S413 WeakPolarHBondContact O-CA 2.91Å; V409-S413 WeakPolarHBondContact O-CB 3.3Å; V409-S413 PolarHBondContact O-N 2.76Å
410	L	96.2	Very high	91.8	Very high	100 Å²	100	57 Å²	57	52%	0.524	31%	0.308	S	S	.	.	H	α-helix	trans	-65.5	-36.8	178.9	-67.6	177.7	0	0	0	113	M262 L404 H406 P407	M262-L410 HydrophobicContact CE-CD2 4.12Å; L404-L410 WeakPolarHBondContact O-CD2 3.31Å; H406-L410 PolarHBondContact O-N 2.68Å; P407-L410 PolarHBondContact O-N 3.08Å
411	E	95.8	Very high	89.6	Confident	166 Å²	166	59.7 Å²	59.7	78%	0.776	33%	0.327	S	S	*	.	H	α-helix	trans	-74.8	-42.6	-179.5	-174.5	178.2	179	0	0	112.3	P407 V409	P407-E411 VanDerWaalsContact O-CB 3.32Å; P407-E411 WeakPolarHBondContact O-CB 3.39Å; P407-E411 PolarHBondContact O-N 3.27Å; V409-E411 PolarHBondContact O-N 3.3Å
412	C	96.1	Very high	87.2	Confident	32 Å²	32	58.9 Å²	58.9	22%	0.216	33%	0.332	C	S	.	.	H	α-helix	trans	-94.1	-25.4	-173.2	-61.6	0	0	0	0	114.1	D255 A258 W408	D255-C412 WeakPolarHBondContact CA-O 3.38Å; A258-C412 HydrophobicContact CB-CB 3.53Å; W408-C412 VanDerWaalsContact O-CB 3.3Å; W408-C412 WeakPolarHBondContact O-CB 3.48Å; W408-C412 PolarHBondContact O-N 2.93Å; W408-C412 PolarHBondContact O-SG 3.3Å
413	S	95.6	Very high	84.6	Confident	18 Å²	18	65.9 Å²	65.9	13%	0.126	36%	0.36	C	S	.	.			trans	-70.6	136.7	-177.6	176.7	0	0	0	0	111.9	M262 V409 K415	M262-S413 WeakPolarHBondContact CB-OG 3.41Å; V409-S413 WeakPolarHBondContact O-CA 2.91Å; V409-S413 WeakPolarHBondContact O-CB 3.3Å; V409-S413 PolarHBondContact O-N 2.76Å; S413-K415 VanDerWaalsContact C-N 3.26Å; S413-K415 PolarHBondContact OG-N 2.86Å; S413-K415 PolarHBondContact OG-O 3.5Å
414	T	93	Very high	81.8	Confident	108 Å²	108	73.9 Å²	73.9	66%	0.663	40%	0.397	S	S	*	.	S	Bend	trans	-83.8	-3.6	170.2	61.9	0	0	0	0	113.1	T259	T259-T414 WeakPolarHBondContact CG2-OG1 3.23Å; T259-T414 PolarHBondContact OG1-N 3.41Å; T259-T414 PolarHBondContact OG1-OG1 2.92Å
415	K	91.8	Very high	78.8	Confident	98 Å²	98	78.8 Å²	78.8	43%	0.426	43%	0.431	S	S	.	.			trans	-117.8	152.9	-177.7	-64.1	-69.4	-173.2	178.9	0	111.2	T259 M262 E263 S413	T259-K415 HydrophobicContact CG2-CB 4.34Å; T259-K415 HydrophobicContact CG2-CG 3.61Å; M262-K415 HydrophobicContact CG-CB 4.26Å; E263-K415 HydrophobicContact CG-CG 4.27Å; S413-K415 VanDerWaalsContact C-N 3.26Å; S413-K415 PolarHBondContact OG-N 2.86Å; S413-K415 PolarHBondContact OG-O 3.5Å
416	K	86.9	Confident	76	Confident	187 Å²	187	80.5 Å²	80.5	81%	0.813	44%	0.443	S	S	*	.			trans	-112.3	151.8	171.7	-66.3	-171.7	178.3	-172.7	0	109.9
417	P	81.2	Confident	72.8	Confident	21 Å²	21	92.2 Å²	92.2	14%	0.136	50%	0.498	C	S	.	.			trans	-65.1	135.8	178.3	22.2	-27.7	0	0	0	111.5	M262 L404 L420 S421	M262-P417 HydrophobicContact SD-CB 4.17Å; M262-P417 HydrophobicContact SD-CG 4.2Å; L404-P417 HydrophobicContact CD1-CB 4.37Å; L404-P417 HydrophobicContact CD2-CB 4.15Å; P417-L420 HydrophobicContact CB-CB 4.38Å; P417-L420 HydrophobicContact CB-CD1 4.24Å; P417-L420 HydrophobicContact CB-CG 4.3Å; P417-L420 HydrophobicContact CG-CB 4.18Å; P417-L420 HydrophobicContact CG-CD1 3.86Å; P417-L420 HydrophobicContact CG-CG 4.29Å; P417-S421 PolarHBondContact O-OG 3.04Å
418	T	81.4	Confident	71.6	Confident	64 Å²	64	92.4 Å²	92.4	39%	0.393	49%	0.494	S	S	.	.	S	Bend	trans	-86.4	-23.3	177.7	66	0	0	0	0	112.1	H214 P215 D266 S421	H214-T418 PolarHBondContact NE2-OG1 3.32Å; P215-T418 HydrophobicContact CG-CG2 4.3Å; D266-T418 VanDerWaalsContact CG-N 3.29Å; D266-T418 PolarHBondContact OD1-N 3.38Å; D266-T418 WeakPolarHBondContact OD2-CB 3.33Å; D266-T418 PolarHBondContact OD2-N 2.91Å; D266-T418 PolarHBondContact OD2-OG1 3.35Å; T418-S421 PolarHBondContact O-OG 3.5Å
419	T	69.7	Low	70.2	Confident	27 Å²	27	96.8 Å²	96.8	17%	0.166	52%	0.519	C	S	.	.	S	Bend	trans	-79.3	-23.9	-179.9	61.9	0	0	0	0	114.1	D266 H269 S422	D266-T419 WeakPolarHBondContact OD1-CG2 3.32Å; D266-T419 PolarHBondContact OD1-N 3.37Å; D266-T419 PolarHBondContact OD1-OG1 2.79Å; H269-T419 PolarHBondContact CD2-OG1 2.52Å; H269-T419 VanDerWaalsContact CD2-OG1 3.23Å; T419-S422 PolarHBondContact O-OG 2.99Å
420	L	63	Low	68.6	Low	84 Å²	84	102.2 Å²	102.2	44%	0.44	55%	0.548	S	S	.	.	S	Bend	trans	-90.7	-15.6	-178.9	-63.1	178.5	0	0	0	113.4	L404 P417	L404-L420 HydrophobicContact CB-CD1 4.07Å; L404-L420 HydrophobicContact CD1-CD1 3.99Å; L404-L420 HydrophobicContact CD1-CG 4.31Å; P417-L420 HydrophobicContact CB-CB 4.38Å; P417-L420 HydrophobicContact CB-CD1 4.24Å; P417-L420 HydrophobicContact CB-CG 4.3Å; P417-L420 HydrophobicContact CG-CB 4.18Å; P417-L420 HydrophobicContact CG-CD1 3.86Å; P417-L420 HydrophobicContact CG-CG 4.29Å
421	S	52.6	Low	67	Low	63 Å²	63	102.4 Å²	102.4	44%	0.441	55%	0.549	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-11.9	-178.5	42.2	0	0	0	0	113.8	P417 T418 E423	P417-S421 PolarHBondContact O-OG 3.04Å; T418-S421 PolarHBondContact O-OG 3.5Å; S421-E423 VanDerWaalsContact C-N 3.35Å; S421-E423 PolarHBondContact O-N 3.42Å
422	S	45.3	Very low	65.2	Low	75 Å²	75	98.4 Å²	98.4	52%	0.524	54%	0.535	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-14.7	179	37.4	0	0	0	0	115	T419	T419-S422 PolarHBondContact O-OG 2.99Å
423	E	42.2	Very low	63.2	Low	164 Å²	164	102.8 Å²	102.8	77%	0.766	56%	0.556	S	S	*	*	S	Bend	trans	-84.4	-25	178	-69.3	-163.5	156.7	0	0	113.5	S421 S425	S421-E423 VanDerWaalsContact C-N 3.35Å; S421-E423 PolarHBondContact O-N 3.42Å; E423-S425 VanDerWaalsContact C-N 3.31Å; E423-S425 PolarHBondContact O-N 2.9Å
424	E	39.1	Very low	60.9	Low	169 Å²	169	108.9 Å²	108.9	79%	0.79	59%	0.587	S	S	*	*	G	3₁₀ helix	trans	-78.7	-11.5	178.8	-74.1	-174.5	145.3	0	0	113.8
425	S	36.4	Very low	58.4	Low	104 Å²	104	108.9 Å²	108.9	73%	0.727	58%	0.581	S	S	*	*	G	3₁₀ helix	trans	-91.8	8	-179.3	-54.6	0	0	0	0	114	E423	E423-S425 VanDerWaalsContact C-N 3.31Å; E423-S425 PolarHBondContact O-N 2.9Å
426	S	36.6	Very low	55.6	Low	107 Å²	107	109.8 Å²	109.8	75%	0.748	59%	0.594	S	S	*	*	G	3₁₀ helix	trans	-124.2	22.1	-178.3	-63.7	0	0	0	0	114.1
427	Q	32.8	Very low	52.8	Low	253 Å²	253	102.8 Å²	102.8	100%	1.182	57%	0.574	S	S	*	*			trans	-107.7	0	168.7	-72.6	-169.5	-0.3	0	0	112

Retrieved 427 of 427 residues in 159.5 ms (Link to these results)

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