A0A087XBE5_POEFO Loading...

asparaginase

AlphaFold DB , UniProt , Accession A0A087XBE5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 646 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	31.4	Very low	28.8	Very low	246 Å²	246	162.7 Å²	162.7	100%	1.212	88%	0.878	S	S	*	*				0	91.2	0	-71.7	178.7	-179.8	0	0	106.2
2	A	31.6	Very low	28.5	Very low	94 Å²	94	170.3 Å²	170.3	78%	0.777	89%	0.885	S	S	*	*				103	89.6	95.6	0	0	0	0	0	107.6
3	E	28.5	Very low	28.3	Very low	178 Å²	178	165 Å²	165	83%	0.832	88%	0.881	S	S	*	*				81.1	108.6	99	-96.1	-169.8	176.6	0	0	113.4
4	Y	25.9	Very low	28	Very low	244 Å²	244	165.8 Å²	165.8	96%	0.957	88%	0.884	S	S	*	*			trans	-153.4	123.1	141.7	-110.3	-79.8	0	0	0	109.3
5	S	30.4	Very low	27.9	Very low	115 Å²	115	162.9 Å²	162.9	80%	0.804	88%	0.882	S	S	*	*			trans	-74.8	142.4	-170.9	-45.4	0	0	0	0	113.2
6	R	28.5	Very low	27.8	Very low	244 Å²	244	164.4 Å²	164.4	92%	0.921	88%	0.881	S	S	*	*			trans	-112.1	153.6	171.1	-87.7	-172.2	-178.6	-178.3	1.4	112
7	P	32.6	Very low	28.5	Very low	120 Å²	120	161.2 Å²	161.2	78%	0.779	87%	0.871	S	S	*	*			trans	-93.3	160.1	-169.1	37.3	-33.5	0	0	0	114.3
8	N	27.8	Very low	28.3	Very low	163 Å²	163	160.4 Å²	160.4	87%	0.872	87%	0.873	S	S	*	*			trans	-81.3	135.3	170.1	-84.1	-22.9	0	0	0	111.6
9	T	27.3	Very low	28.1	Very low	139 Å²	139	161.2 Å²	161.2	85%	0.853	88%	0.875	S	S	*	*			trans	-149.2	134.7	145.4	37.1	0	0	0	0	111.6
10	L	27.9	Very low	27.9	Very low	176 Å²	176	161.6 Å²	161.6	92%	0.921	88%	0.875	S	S	*	*			trans	-28.2	137.8	162.6	-79.6	77.3	0	0	0	115.6
11	G	24.6	Very low	27.8	Very low	71 Å²	71	162 Å²	162	73%	0.732	87%	0.871	S	S	*	*			trans	167.6	88	157.4	0	0	0	0	0	113.5
12	R	25.4	Very low	27.4	Very low	254 Å²	254	156.3 Å²	156.3	96%	0.958	85%	0.85	S	S	*	*			trans	150.6	105.9	145.5	-91.5	172.3	149.4	167.5	-6	111.7
13	A	25.9	Very low	27	Very low	101 Å²	101	158.8 Å²	158.8	84%	0.835	85%	0.851	S	S	*	*			trans	-162.5	72.3	152.6	0	0	0	0	0	111
14	L	23.7	Very low	26.8	Very low	176 Å²	176	157.4 Å²	157.4	92%	0.921	85%	0.849	S	S	*	*			trans	-148	97.3	155.8	-78.7	-178.9	0	0	0	109.1
15	S	26.4	Very low	26.7	Very low	123 Å²	123	152.6 Å²	152.6	86%	0.86	85%	0.845	S	S	*	*			trans	-178.5	112.6	146.9	56	0	0	0	0	110.7
16	H	27.2	Very low	26.4	Very low	187 Å²	187	151.9 Å²	151.9	87%	0.866	84%	0.84	S	S	*	*			trans	-68.6	-174.9	170.3	-83	-65	0	0	0	113.1
17	P	40.2	Very low	26.5	Very low	109 Å²	109	145.9 Å²	145.9	71%	0.708	83%	0.832	S	S	*	*			cis	-135.9	170.5	-31.6	30.7	-11.5	0	0	0	113.9
18	T	24.8	Very low	26.4	Very low	148 Å²	148	145.5 Å²	145.5	91%	0.908	83%	0.829	S	S	*	*			trans	-163.3	135.8	139.6	17	0	0	0	0	111.6
19	L	24.2	Very low	26.2	Very low	175 Å²	175	145.2 Å²	145.2	92%	0.916	83%	0.828	S	S	*	*			trans	-83.2	134	175.8	-81.8	148.8	0	0	0	110.9
20	I	23.9	Very low	26.1	Very low	169 Å²	169	145.2 Å²	145.2	87%	0.867	83%	0.828	S	S	*	*			trans	-142.4	138.3	152.8	-61.2	-175.6	0	0	0	108.9
21	E	24.8	Very low	25.8	Very low	171 Å²	171	145.9 Å²	145.9	80%	0.799	83%	0.826	S	S	*	*			trans	-63	153.5	-176.7	-60.4	170.4	142.1	0	0	115.2
22	T	23.6	Very low	25.9	Very low	125 Å²	125	150.5 Å²	150.5	77%	0.767	83%	0.833	S	S	*	*				169.8	131.8	114.6	36.3	0	0	0	0	114.3
23	N	23.2	Very low	25.8	Very low	147 Å²	147	147.1 Å²	147.1	79%	0.786	83%	0.828	S	S	*	*			trans	54.6	115.1	140.9	-62.7	-8.8	0	0	0	124.6
24	D	24.2	Very low	25.8	Very low	149 Å²	149	148.2 Å²	148.2	80%	0.797	83%	0.826	S	S	*	*				26.8	133.1	129.2	-85.7	-29	0	0	0	121.7
25	V	25	Very low	25.8	Very low	143 Å²	143	151.2 Å²	151.2	87%	0.867	83%	0.825	S	S	*	*				-172	127	125.6	153.6	0	0	0	0	109.2
26	S	22.9	Very low	25.7	Very low	100 Å²	100	157.4 Å²	157.4	70%	0.699	83%	0.83	S	S	*	*			trans	-92.2	168	166.5	-31	0	0	0	0	110.1
27	P	32	Very low	25.5	Very low	117 Å²	117	159.6 Å²	159.6	76%	0.76	83%	0.831	S	S	*	*			cis	-154.8	-149.5	43.1	43.5	-18.7	0	0	0	113.4
28	P	29.4	Very low	24.9	Very low	112 Å²	112	166.4 Å²	166.4	73%	0.727	84%	0.842	S	S	*	*			cis	-127	159.3	-26.4	27.2	-5.4	0	0	0	117
29	N	22.7	Very low	24.8	Very low	158 Å²	158	168.5 Å²	168.5	85%	0.845	84%	0.838	S	S	*	*			trans	6.1	124.5	153.6	-74.4	-25.3	0	0	0	123.7
30	V	25.4	Very low	24.8	Very low	139 Å²	139	166.3 Å²	166.3	84%	0.842	84%	0.835	S	S	*	*			trans	-133.8	127.3	143.9	178.3	0	0	0	0	109.1
31	Q	23	Very low	24.8	Very low	189 Å²	189	163.3 Å²	163.3	88%	0.883	83%	0.829	S	S	*	*			trans	-75.7	128.4	-178.6	-75.5	174.6	-20.1	0	0	112.4
32	L	25.1	Very low	24.8	Very low	168 Å²	168	160.8 Å²	160.8	88%	0.88	83%	0.83	S	S	*	*			trans	-139.3	132.3	163.6	-85.5	164.2	0	0	0	110.2
33	H	24.1	Very low	24.8	Very low	184 Å²	184	160.7 Å²	160.7	85%	0.852	83%	0.833	S	S	*	*			trans	-57.2	150.4	-175.3	-72.5	-76.6	0	0	0	115	R35	H33-R35 PolarHBondContact O-N 3.22Å
34	P	25.5	Very low	24.9	Very low	123 Å²	123	158.5 Å²	158.5	80%	0.799	83%	0.829	S	S	*	*			trans	-81.9	105.5	-171.1	31.2	-31.8	0	0	0	112.8	R36	P34-R36 PolarHBondContact O-N 2.83Å
35	R	23.9	Very low	25.1	Very low	239 Å²	239	157 Å²	157	90%	0.902	83%	0.831	S	S	*	*			trans	-70.7	117.8	151.7	-76.5	-177.5	173.7	-177.1	-2.2	107.9	H33 R37	H33-R35 PolarHBondContact O-N 3.22Å; R35-R37 VanDerWaalsContact C-N 3.34Å; R35-R37 PolarHBondContact O-N 3.49Å
36	R	25.2	Very low	25.1	Very low	253 Å²	253	155.8 Å²	155.8	96%	0.955	82%	0.823	S	S	*	*			trans	-62.5	90.1	174.8	-93.2	-178.2	170.2	177.4	-2.4	110.5	P34	P34-R36 PolarHBondContact O-N 2.83Å
37	R	23.6	Very low	25.4	Very low	234 Å²	234	159.5 Å²	159.5	88%	0.883	83%	0.829	S	S	*	*			trans	-76.3	112.9	155.8	-81.8	179.5	169.1	174.4	-3.3	107.5	R35 K39	R35-R37 VanDerWaalsContact C-N 3.34Å; R35-R37 PolarHBondContact O-N 3.49Å; R37-K39 PolarHBondContact O-N 2.88Å
38	R	26.4	Very low	25	Very low	252 Å²	252	161.2 Å²	161.2	95%	0.951	83%	0.832	S	S	*	*			trans	-66.4	112.4	161.1	-100.6	179.2	166.5	166	-4.7	107.2
39	K	23.2	Very low	24.8	Very low	191 Å²	191	162.8 Å²	162.8	83%	0.83	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-65.6	146.5	163.9	-80.9	-177.6	175.2	-179.3	0	108.8	R37 S41	R37-K39 PolarHBondContact O-N 2.88Å; K39-S41 PolarHBondContact O-N 3.03Å
40	P	23.6	Very low	25.2	Very low	129 Å²	129	162.3 Å²	162.3	84%	0.838	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-66.2	122.5	172.1	28	-31.1	0	0	0	108.5	S42	P40-S42 PolarHBondContact O-N 3.21Å
41	S	24.6	Very low	25.2	Very low	107 Å²	107	167 Å²	167	75%	0.748	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-68.6	120.8	174.7	47.6	0	0	0	0	109.6	K39 C43	K39-S41 PolarHBondContact O-N 3.03Å; S41-C43 PolarHBondContact O-N 3.15Å
42	S	24	Very low	25.5	Very low	118 Å²	118	165.2 Å²	165.2	83%	0.825	84%	0.835	S	S	*	*			trans	-62.7	104.9	161.4	52.6	0	0	0	0	109	P40 S44	P40-S42 PolarHBondContact O-N 3.21Å; S42-S44 PolarHBondContact O-N 3.31Å
43	C	24.2	Very low	25.7	Very low	123 Å²	123	162 Å²	162	83%	0.831	83%	0.827	S	S	*	*			trans	-83.9	106.3	165	-103.4	0	0	0	0	108.1	S41 S45	S41-C43 PolarHBondContact O-N 3.15Å; C43-S45 PolarHBondContact O-N 3.07Å
44	S	24.1	Very low	26.1	Very low	100 Å²	100	158.2 Å²	158.2	70%	0.699	82%	0.821	S	S	*	*			trans	-53.8	121.6	162.7	46.9	0	0	0	0	109.7	S42 V46	S42-S44 PolarHBondContact O-N 3.31Å; S44-V46 PolarHBondContact O-N 3.32Å; S44-V46 VanDerWaalsContact O-N 3.15Å
45	S	28.6	Very low	26.7	Very low	119 Å²	119	155.5 Å²	155.5	83%	0.832	80%	0.804	S	S	*	*			trans	-56.6	107.7	166.3	40.3	0	0	0	0	110	C43	C43-S45 PolarHBondContact O-N 3.07Å
46	V	24.8	Very low	27.5	Very low	117 Å²	117	148 Å²	148	71%	0.709	79%	0.788	S	S	*	*			trans	-111.6	110	157.4	-176.6	0	0	0	0	105.5	S44 N48	S44-V46 PolarHBondContact O-N 3.32Å; S44-V46 VanDerWaalsContact O-N 3.15Å; V46-N48 PolarHBondContact O-N 3Å
47	E	29.6	Very low	28.7	Very low	177 Å²	177	138.3 Å²	138.3	83%	0.827	76%	0.758	S	S	*	*			trans	-53.2	117.3	170.7	-68.6	173.5	150.6	0	0	109.1
48	N	23.2	Very low	30	Very low	154 Å²	154	129.5 Å²	129.5	82%	0.824	74%	0.735	S	S	*	*			trans	-119.5	107.1	159.8	-93.3	-41	0	0	0	107	V46	V46-N48 PolarHBondContact O-N 3Å
49	L	26.8	Very low	32.2	Very low	144 Å²	144	120.8 Å²	120.8	75%	0.754	71%	0.707	S	S	*	*			trans	-56.6	141	167.2	-95.8	73.9	0	0	0	110.6
50	D	30.8	Very low	35.1	Very low	148 Å²	148	112.6 Å²	112.6	79%	0.791	67%	0.672	S	S	*	*			trans	54.5	76.5	155.3	-58.6	-26.9	0	0	0	118.2
51	R	24.5	Very low	38.2	Very low	237 Å²	237	106.6 Å²	106.6	89%	0.894	63%	0.633	S	S	*	*			trans	-128.2	118.7	138.1	-75	-171.8	177.6	-172.3	-0.7	108.7	S53	R51-S53 PolarHBondContact O-N 3.18Å
52	V	29.5	Very low	41.4	Very low	152 Å²	152	102.2 Å²	102.2	92%	0.921	60%	0.6	S	S	*	*			trans	-51.3	108.1	168.5	177.5	0	0	0	0	107.3	S54	V52-S54 PolarHBondContact O-N 2.94Å
53	S	29.3	Very low	44.9	Very low	101 Å²	101	96.6 Å²	96.6	71%	0.706	56%	0.561	S	S	*	*	P	Polyproline II helix	trans	-66.7	124.1	175.1	30.9	0	0	0	0	107.7	R51	R51-S53 PolarHBondContact O-N 3.18Å
54	S	32.4	Very low	48.4	Very low	104 Å²	104	91 Å²	91	73%	0.727	52%	0.523	S	S	*	.	P	Polyproline II helix	trans	-49.2	128.8	162.7	48.5	0	0	0	0	108.2	V52 S56	V52-S54 PolarHBondContact O-N 2.94Å; S54-S56 PolarHBondContact O-N 2.74Å; S54-S56 VanDerWaalsContact O-N 3.15Å
55	P	38.3	Very low	51.9	Low	67 Å²	67	86.3 Å²	86.3	44%	0.435	49%	0.49	S	S	.	.	P	Polyproline II helix	trans	-58.3	125.4	-177.4	16.7	-23.2	0	0	0	109.2	P57 T107	P55-P57 WeakPolarHBondContact O-CD 3.46Å; P55-T107 HydrophobicContact CG-CG2 3.44Å; P55-T107 VanDerWaalsContact CG-CG2 3.44Å
56	S	40.7	Very low	55.2	Low	82 Å²	82	80.6 Å²	80.6	57%	0.573	45%	0.45	S	S	*	.	P	Polyproline II helix	trans	-65	123.4	173.6	173.6	0	0	0	0	108.3	S54 A58	S54-S56 PolarHBondContact O-N 2.74Å; S54-S56 VanDerWaalsContact O-N 3.15Å; S56-A58 PolarHBondContact O-N 3.26Å; S56-A58 VanDerWaalsContact O-N 3.1Å
57	P	50.2	Low	58.7	Low	48 Å²	48	75.1 Å²	75.1	31%	0.312	42%	0.417	S	S	.	.	G	3₁₀ helix	trans	-58.3	-20	177.6	-24.7	33.9	0	0	0	114.1	P55 N59 E60 E566	P55-P57 WeakPolarHBondContact O-CD 3.46Å; P57-N59 PolarHBondContact O-N 2.59Å; P57-E60 PolarHBondContact O-N 3.42Å; P57-E566 HydrophobicContact CB-CG 3.87Å; P57-E566 VanDerWaalsContact O-OE2 3.12Å
58	A	51.7	Low	61.9	Low	50 Å²	50	66.8 Å²	66.8	41%	0.413	38%	0.378	S	S	.	.	G	3₁₀ helix	trans	-63.5	1	-170.1	0	0	0	0	0	116.5	S56	S56-A58 PolarHBondContact O-N 3.26Å; S56-A58 VanDerWaalsContact O-N 3.1Å
59	N	71.7	Confident	65.3	Low	68 Å²	68	59.5 Å²	59.5	36%	0.364	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	-125.7	24.4	-179.7	-158.8	28.5	0	0	0	113.2	P57 N139 K140 R141	P57-N59 PolarHBondContact O-N 2.59Å; N59-N139 PolarHBondContact ND2-O 2.9Å; N59-N139 PolarHBondContact OD1-O 3.33Å; N59-K140 VanDerWaalsContact O-CA 3.29Å; N59-K140 WeakPolarHBondContact O-CA 3.26Å; N59-R141 PolarHBondContact O-N 2.99Å
60	E	83.8	Confident	68.5	Low	20 Å²	20	52.7 Å²	52.7	9%	0.093	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	155.4	174.1	-59.9	-173.1	157.4	0	0	111.5	P57 Y103 Y113 R141 I143	P57-E60 PolarHBondContact O-N 3.42Å; E60-Y103 PolarHBondContact OE1-OH 3.21Å; E60-Y113 PolarHBondContact OE2-OH 2.91Å; E60-R141 CarbonylContact C-O 3.59Å; E60-R141 VanDerWaalsContact CA-O 3.26Å; E60-R141 WeakPolarHBondContact CA-O 3.41Å; E60-I143 HydrophobicContact CG-CD1 4.31Å; E60-I143 WeakPolarHBondContact OE2-CD1 3.37Å
61	S	88.9	Confident	71.5	Confident	3 Å²	3	47.1 Å²	47.1	2%	0.021	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	135.4	167.7	-171.6	0	0	0	0	109.2	R141 I142 I143 D178 G235	S61-R141 PolarHBondContact N-O 2.97Å; S61-I142 WeakPolarHBondContact O-CA 3.33Å; S61-I143 PolarHBondContact O-N 2.89Å; S61-D178 WeakPolarHBondContact CA-OD2 3.41Å; S61-D178 WeakPolarHBondContact OG-CB 3.42Å; S61-D178 PolarHBondContact OG-OD2 3.32Å; S61-G235 WeakPolarHBondContact CB-O 3.4Å; S61-G235 WeakPolarHBondContact OG-CA 3.32Å; S61-G235 PolarHBondContact OG-O 3.06Å
62	R	92.3	Very high	74.8	Confident	15 Å²	15	35.8 Å²	35.8	6%	0.057	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	123.9	-173.7	-56.7	-174.2	79.7	-133.4	-1.9	110.9	I143 N176 F177 D178	R62-I143 CarbonylContact C-O 3.44Å; R62-I143 VanDerWaalsContact CA-O 3.26Å; R62-I143 WeakPolarHBondContact CA-O 3.31Å; R62-N176 PolarHBondContact NH1-O 3.4Å; R62-F177 HydrophobicContact CB-CD1 4.02Å; R62-D178 PolarHBondContact N-OD2 3.13Å; R62-D178 PolarHBondContact O-N 2.87Å
63	V	96.8	Very high	77.7	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	128.9	-179.9	179.9	0	0	0	0	110.1	I142 I143 Y144 T145 F177 G179 V181 L231 A234	V63-I142 HydrophobicContact CG2-CG2 4.01Å; V63-I143 PolarHBondContact N-O 3.45Å; V63-Y144 CarbonylContact O-C 3.58Å; V63-Y144 WeakPolarHBondContact O-CA 3.42Å; V63-Y144 WeakPolarHBondContact O-CB 3.42Å; V63-T145 PolarHBondContact O-N 3.46Å; V63-F177 VanDerWaalsContact C-CD1 3.47Å; V63-G179 WeakPolarHBondContact CA-O 3.26Å; V63-V181 HydrophobicContact CG1-CB 4.38Å; V63-V181 HydrophobicContact CG1-CG2 3.77Å; V63-L231 HydrophobicContact CB-CD2 4.29Å; V63-L231 HydrophobicContact CG1-CD2 3.91Å; V63-A234 HydrophobicContact CG1-CB 4Å; V63-A234 HydrophobicContact CG2-CB 4.23Å
64	L	98.1	Very high	80.7	Confident	5 Å²	5	24.5 Å²	24.5	3%	0.026	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	123	170.8	-178.6	65	0	0	0	109	I66 L147 N173 F177 G179 F180 V181	L64-I66 HydrophobicContact CD2-CD1 4.27Å; L64-I66 HydrophobicContact CD2-CG1 4.1Å; L64-I66 HydrophobicContact CG-CG1 4.11Å; L64-L147 HydrophobicContact CD1-CB 4.04Å; L64-N173 HydrophobicContact CD2-CB 3.66Å; L64-F177 HydrophobicContact CB-CB 4.24Å; L64-F177 HydrophobicContact CB-CD1 3.75Å; L64-F177 HydrophobicContact CB-CD2 3.84Å; L64-F177 HydrophobicContact CB-CE1 3.96Å; L64-F177 HydrophobicContact CB-CE2 4.05Å; L64-F177 HydrophobicContact CB-CG 3.67Å; L64-F177 HydrophobicContact CB-CZ 4.1Å; L64-F177 HydrophobicContact CD1-CE1 4.26Å; L64-F177 HydrophobicContact CD1-CE2 4.03Å; L64-F177 HydrophobicContact CD1-CZ 3.81Å; L64-F177 HydrophobicContact CD2-CD2 4.38Å; L64-F177 HydrophobicContact CD2-CE2 4.3Å; L64-F177 HydrophobicContact CG-CE2 4.36Å; L64-F177 HydrophobicContact CG-CZ 4.46Å; L64-F177 VanDerWaalsContact N-CD1 3.33Å; L64-G179 PolarHBondContact N-O 2.92Å; L64-F180 HydrophobicContact CB-CD1 3.83Å; L64-F180 HydrophobicContact CB-CE1 3.98Å; L64-F180 HydrophobicContact CD2-CD1 4.02Å; L64-F180 HydrophobicContact CD2-CE1 3.89Å; L64-F180 HydrophobicContact CG-CD1 4.38Å; L64-F180 CarbonylContact O-C 3.56Å; L64-F180 WeakPolarHBondContact O-CA 3.36Å; L64-V181 PolarHBondContact O-N 3.5Å
65	V	98.6	Very high	83.2	Confident	1 Å²	1	21 Å²	21	1%	0.006	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	114.5	172	-176.9	0	0	0	0	108.4	Y144 T145 I146 L147 V181 L183 L231	V65-Y144 HydrophobicContact CG2-CD2 3.68Å; V65-Y144 HydrophobicContact CG2-CG 4.32Å; V65-T145 PolarHBondContact N-O 2.82Å; V65-I146 HydrophobicContact CB-CG1 3.96Å; V65-I146 HydrophobicContact CG1-CG1 4.25Å; V65-I146 HydrophobicContact CG2-CG1 4.49Å; V65-I146 CarbonylContact O-C 3.57Å; V65-I146 WeakPolarHBondContact O-CA 3.27Å; V65-L147 PolarHBondContact O-N 2.88Å; V65-V181 CarbonylContact C-O 3.57Å; V65-V181 VanDerWaalsContact CA-O 3.24Å; V65-V181 WeakPolarHBondContact CA-O 3.07Å; V65-V181 HydrophobicContact CG1-CG1 4.46Å; V65-V181 HydrophobicContact CG2-CB 4.23Å; V65-L183 HydrophobicContact CG1-CD1 3.94Å; V65-L183 HydrophobicContact CG1-CD2 4.44Å; V65-L183 HydrophobicContact CG1-CG 3.78Å; V65-L231 HydrophobicContact CG2-CD2 3.66Å
66	I	98.4	Very high	85.3	Confident	0 Å²	0	23.5 Å²	23.5	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	112.1	173.5	-54.8	-177	0	0	0	107.7	L64 T68 L147 Y149 D169 I170 V181 I182 L183	L64-I66 HydrophobicContact CD2-CD1 4.27Å; L64-I66 HydrophobicContact CD2-CG1 4.1Å; L64-I66 HydrophobicContact CG-CG1 4.11Å; I66-T68 HydrophobicContact CG2-CG2 4.02Å; I66-L147 WeakPolarHBondContact CA-O 3.26Å; I66-L147 HydrophobicContact CG1-CD2 4.38Å; I66-Y149 HydrophobicContact CG2-CD1 4.17Å; I66-Y149 HydrophobicContact CG2-CE1 3.59Å; I66-Y149 HydrophobicContact CG2-CE2 4.35Å; I66-D169 HydrophobicContact CD1-CB 4.06Å; I66-I170 HydrophobicContact CD1-CG1 3.84Å; I66-V181 PolarHBondContact N-O 3.27Å; I66-I182 HydrophobicContact CB-CD1 3.76Å; I66-I182 HydrophobicContact CD1-CD1 3.8Å; I66-I182 HydrophobicContact CG1-CD1 3.94Å; I66-I182 WeakPolarHBondContact O-CA 3.38Å; I66-L183 PolarHBondContact O-N 3.14Å
67	N	97.5	Very high	87.1	Confident	1 Å²	1	25.7 Å²	25.7	1%	0.005	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	102	177.4	-178.8	20.5	0	0	0	110.3	G69 L88 I146 L147 E148 Y149 L152 L183	N67-G69 PolarHBondContact OD1-N 3.07Å; N67-L88 HydrophobicContact CB-CD2 4.37Å; N67-L88 WeakPolarHBondContact ND2-CD2 3.49Å; N67-I146 HydrophobicContact CB-CG2 4.25Å; N67-L147 PolarHBondContact N-O 3.47Å; N67-E148 HydrophobicContact CB-CB 4.46Å; N67-E148 HydrophobicContact CB-CG 4.24Å; N67-E148 PolarHBondContact ND2-OE2 2.88Å; N67-Y149 WeakPolarHBondContact O-CB 3.43Å; N67-Y149 PolarHBondContact O-N 2.96Å; N67-L152 WeakPolarHBondContact O-CD2 3.45Å; N67-L183 HydrophobicContact CB-CD1 4.23Å
68	T	96.8	Very high	88.4	Confident	2 Å²	2	31.9 Å²	31.9	1%	0.012	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	-15.1	178	74.3	0	0	0	0	112.4	I66 Y149 L153 I166 I182 L183	I66-T68 HydrophobicContact CG2-CG2 4.02Å; T68-Y149 HydrophobicContact CG2-CD2 4Å; T68-Y149 HydrophobicContact CG2-CE2 3.98Å; T68-L153 PolarHBondContact O-N 3.26Å; T68-I166 HydrophobicContact CG2-CD1 3.77Å; T68-I166 HydrophobicContact CG2-CG1 3.88Å; T68-I182 HydrophobicContact CG2-CG2 4.03Å; T68-L183 PolarHBondContact N-O 3.12Å; T68-L183 VanDerWaalsContact N-O 3.09Å; T68-L183 PolarHBondContact OG1-O 2.85Å
69	G	94.6	Very high	89.5	Confident	1 Å²	1	36 Å²	36	1%	0.01	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	126.1	-139	-179.9	0	0	0	0	0	112.7	N67 L153	N67-G69 PolarHBondContact OD1-N 3.07Å; G69-L153 WeakPolarHBondContact CA-O 3.42Å
70	G	93.3	Very high	89.9	Confident	1 Å²	1	34.1 Å²	34.1	1%	0.01	19%	0.186	C	C	.	.	S	Bend	trans	78.1	174.3	-173	0	0	0	0	0	114.8	I72 G73 M74 L153 G185	G70-I72 PolarHBondContact O-N 2.91Å; G70-I72 VanDerWaalsContact O-N 3.09Å; G70-G73 PolarHBondContact O-N 3.3Å; G70-M74 WeakPolarHBondContact O-CG 3.45Å; G70-L153 PolarHBondContact N-O 3.36Å; G70-G185 VanDerWaalsContact CA-CA 3.45Å
71	T	93.9	Very high	89.8	Confident	31 Å²	31	38.2 Å²	38.2	19%	0.19	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-55.7	-31.8	-171.1	-48	0	0	0	0	114	G73 M74 S212 Q213 P215	T71-G73 PolarHBondContact O-N 2.87Å; T71-G73 VanDerWaalsContact O-N 3.12Å; T71-M74 PolarHBondContact O-N 3.01Å; T71-S212 WeakPolarHBondContact CB-O 3.39Å; T71-Q213 WeakPolarHBondContact CG2-O 3.36Å; T71-P215 HydrophobicContact CG2-CG 3.99Å; T71-P215 VanDerWaalsContact O-CA 3.29Å; T71-P215 WeakPolarHBondContact O-CA 3.44Å; T71-P215 WeakPolarHBondContact O-CB 3.31Å; T71-P215 WeakPolarHBondContact O-CG 3.23Å
72	I	94.4	Very high	89.4	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-54.9	-35.8	-177.1	-164.9	171.9	0	0	0	113.7	G70 L183 S212 I216 L227	G70-I72 PolarHBondContact O-N 2.91Å; G70-I72 VanDerWaalsContact O-N 3.09Å; I72-L183 HydrophobicContact CD1-CD2 3.99Å; I72-L183 HydrophobicContact CG2-CB 4.18Å; I72-L183 HydrophobicContact CG2-CD1 4.44Å; I72-S212 WeakPolarHBondContact CA-OG 3.37Å; I72-S212 WeakPolarHBondContact CB-OG 3.11Å; I72-S212 PolarHBondContact N-OG 3.06Å; I72-I216 HydrophobicContact CG1-CB 4.15Å; I72-I216 WeakPolarHBondContact O-CB 3.43Å; I72-I216 VanDerWaalsContact O-CG2 3.26Å; I72-I216 WeakPolarHBondContact O-CG2 3.49Å; I72-I216 PolarHBondContact O-N 3.23Å; I72-L227 HydrophobicContact CD1-CB 4.39Å
73	G	91.1	Very high	88.7	Confident	4 Å²	4	40 Å²	40	4%	0.041	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-107.8	13.2	178.2	0	0	0	0	0	114.5	G70 T71	G70-G73 PolarHBondContact O-N 3.3Å; T71-G73 PolarHBondContact O-N 2.87Å; T71-G73 VanDerWaalsContact O-N 3.12Å
74	M	90.8	Very high	87.9	Confident	11 Å²	11	45 Å²	45	5%	0.054	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	145.4	178.9	-71.1	-174.2	178.2	0	0	112	G70 T71 Y81 A82 P83 D154 P215 Y217	G70-M74 WeakPolarHBondContact O-CG 3.45Å; T71-M74 PolarHBondContact O-N 3.01Å; M74-Y81 HydrophobicContact CB-CD1 4.28Å; M74-A82 WeakPolarHBondContact CA-O 3.47Å; M74-P83 HydrophobicContact CE-CG 4.25Å; M74-P83 HydrophobicContact CG-CG 4.31Å; M74-D154 HydrophobicContact CE-CB 4.42Å; M74-P215 HydrophobicContact CB-CG 4.33Å; M74-P215 WeakPolarHBondContact O-CB 3.48Å; M74-Y217 VanDerWaalsContact O-CD2 3.27Å; M74-Y217 WeakPolarHBondContact O-CD2 3.48Å; M74-Y217 WeakPolarHBondContact O-CE2 3.45Å
75	T	85.4	Confident	87.2	Confident	31 Å²	31	47.6 Å²	47.6	19%	0.19	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	146.1	171.3	57	0	0	0	0	109.7	R77 A82 K84 Y217	T75-R77 PolarHBondContact O-N 3.03Å; T75-A82 PolarHBondContact N-O 2.92Å; T75-A82 PolarHBondContact O-N 3.1Å; T75-A82 VanDerWaalsContact O-N 3.09Å; T75-K84 HydrophobicContact CG2-CB 3.91Å; T75-K84 HydrophobicContact CG2-CD 3.95Å; T75-Y217 HydrophobicContact CG2-CD2 3.86Å; T75-Y217 HydrophobicContact CG2-CE2 3.58Å
76	L	82.3	Confident	86.5	Confident	119 Å²	119	53 Å²	53	62%	0.623	29%	0.29	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.4	126.2	174.7	-169.7	67	0	0	0	110.1	Y81	L76-Y81 HydrophobicContact CB-CD1 4.27Å; L76-Y81 HydrophobicContact CB-CE1 3.9Å; L76-Y81 HydrophobicContact CD1-CD1 4.43Å; L76-Y81 HydrophobicContact CD1-CD2 4.15Å; L76-Y81 HydrophobicContact CD1-CE1 4.25Å; L76-Y81 HydrophobicContact CD1-CE2 3.98Å; L76-Y81 HydrophobicContact CD1-CG 4.38Å
77	R	79.9	Confident	85.9	Confident	129 Å²	129	53.3 Å²	53.3	49%	0.487	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	173.6	170.3	-57.3	-168.1	-173.7	-163.3	6.9	109.4	T75 T79 G80 P83	T75-R77 PolarHBondContact O-N 3.03Å; R77-T79 PolarHBondContact O-N 3.36Å; R77-T79 VanDerWaalsContact O-N 3.08Å; R77-G80 PolarHBondContact N-O 2.96Å; R77-G80 PolarHBondContact O-N 3.33Å; R77-P83 PolarHBondContact NH2-O 3.32Å
78	D	76	Confident	85.5	Confident	177 Å²	177	53.3 Å²	53.3	95%	0.947	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-25	179.4	-57.2	-31	0	0	0	113.5
79	T	74.9	Confident	85.3	Confident	136 Å²	136	53.8 Å²	53.8	83%	0.834	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.3	9.4	178.2	60.9	0	0	0	0	114	R77	R77-T79 PolarHBondContact O-N 3.36Å; R77-T79 VanDerWaalsContact O-N 3.08Å
80	G	80	Confident	85	Confident	29 Å²	29	59.7 Å²	59.7	30%	0.299	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	107.6	-167	-174.4	0	0	0	0	0	113.7	R77	R77-G80 PolarHBondContact N-O 2.96Å; R77-G80 PolarHBondContact O-N 3.33Å
81	Y	81.6	Confident	84.9	Confident	106 Å²	106	61 Å²	61	42%	0.416	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	127.6	178.3	-77.7	-76.4	0	0	0	110.9	M74 L76 P215 E218	M74-Y81 HydrophobicContact CB-CD1 4.28Å; L76-Y81 HydrophobicContact CB-CD1 4.27Å; L76-Y81 HydrophobicContact CB-CE1 3.9Å; L76-Y81 HydrophobicContact CD1-CD1 4.43Å; L76-Y81 HydrophobicContact CD1-CD2 4.15Å; L76-Y81 HydrophobicContact CD1-CE1 4.25Å; L76-Y81 HydrophobicContact CD1-CE2 3.98Å; L76-Y81 HydrophobicContact CD1-CG 4.38Å; Y81-P215 HydrophobicContact CD1-CG 3.74Å; Y81-P215 HydrophobicContact CE1-CG 3.63Å; Y81-E218 PolarHBondContact OH-OE1 3.5Å
82	A	80.4	Confident	84.9	Confident	25 Å²	25	59.6 Å²	59.6	21%	0.207	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	151.1	177.1	0	0	0	0	0	111.1	M74 T75	M74-A82 WeakPolarHBondContact CA-O 3.47Å; T75-A82 PolarHBondContact N-O 2.92Å; T75-A82 PolarHBondContact O-N 3.1Å; T75-A82 VanDerWaalsContact O-N 3.09Å
83	P	79.2	Confident	84.8	Confident	30 Å²	30	63 Å²	63	20%	0.195	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59	143.8	176.9	-23.5	34.3	0	0	0	112.2	M74 R77 L152	M74-P83 HydrophobicContact CE-CG 4.25Å; M74-P83 HydrophobicContact CG-CG 4.31Å; R77-P83 PolarHBondContact NH2-O 3.32Å; P83-L152 HydrophobicContact CB-CB 3.47Å; P83-L152 VanDerWaalsContact CB-CB 3.47Å; P83-L152 HydrophobicContact CB-CD1 3.85Å; P83-L152 HydrophobicContact CB-CG 4.32Å; P83-L152 HydrophobicContact CG-CB 4.14Å
84	K	79.8	Confident	84.9	Confident	106 Å²	106	70.3 Å²	70.3	46%	0.461	37%	0.367	S	S	.	.			trans	-123.2	112.3	173.7	-174.5	-178.7	174	-174.8	0	109.7	T75 A87	T75-K84 HydrophobicContact CG2-CB 3.91Å; T75-K84 HydrophobicContact CG2-CD 3.95Å; K84-A87 HydrophobicContact CB-CB 4.04Å; K84-A87 HydrophobicContact CD-CB 3.74Å; K84-A87 HydrophobicContact CG-CB 3.82Å; K84-A87 PolarHBondContact O-N 3.04Å
85	A	82.6	Confident	85	Confident	60 Å²	60	71.5 Å²	71.5	50%	0.496	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	143.4	177.7	0	0	0	0	0	111.5	A87 E148	A85-A87 PolarHBondContact O-N 3.03Å; A85-E148 WeakPolarHBondContact CA-OE1 3.44Å
86	N	82.8	Confident	85.4	Confident	113 Å²	113	74.9 Å²	74.9	60%	0.604	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.2	5.8	178	-54.7	-54.7	0	0	0	115.8	E148	N86-E148 PolarHBondContact N-OE1 3.43Å
87	A	85.9	Confident	85.9	Confident	7 Å²	7	72.9 Å²	72.9	6%	0.058	39%	0.385	C	S	.	.	H	α-helix	trans	-83.1	-24.5	-177.9	0	0	0	0	0	113.8	K84 A85 S91	K84-A87 HydrophobicContact CB-CB 4.04Å; K84-A87 HydrophobicContact CD-CB 3.74Å; K84-A87 HydrophobicContact CG-CB 3.82Å; K84-A87 PolarHBondContact O-N 3.04Å; A85-A87 PolarHBondContact O-N 3.03Å; A87-S91 WeakPolarHBondContact O-CB 3.33Å; A87-S91 PolarHBondContact O-N 3.19Å; A87-S91 PolarHBondContact O-OG 2.85Å
88	L	90.6	Very high	86.6	Confident	1 Å²	1	66.8 Å²	66.8	1%	0.005	36%	0.362	C	S	.	.	H	α-helix	trans	-67.4	-53.7	-173	-176.7	63.7	0	0	0	111.8	N67 E90 S91 L92 I146 L183 I216	N67-L88 HydrophobicContact CB-CD2 4.37Å; N67-L88 WeakPolarHBondContact ND2-CD2 3.49Å; L88-E90 PolarHBondContact O-N 3.28Å; L88-S91 PolarHBondContact O-N 3.15Å; L88-S91 VanDerWaalsContact O-N 3.09Å; L88-L92 HydrophobicContact CD1-CD1 4.21Å; L88-L92 HydrophobicContact CD1-CD2 4.37Å; L88-L92 HydrophobicContact CD1-CG 4.1Å; L88-L92 HydrophobicContact CG-CD1 3.99Å; L88-L92 HydrophobicContact CG-CG 4.25Å; L88-L92 WeakPolarHBondContact O-CG 3.39Å; L88-L92 PolarHBondContact O-N 2.86Å; L88-I146 HydrophobicContact CD2-CD1 4.41Å; L88-L183 HydrophobicContact CD2-CD1 3.44Å; L88-L183 VanDerWaalsContact CD2-CD1 3.44Å; L88-I216 HydrophobicContact CD1-CG2 4.06Å
89	V	91.6	Very high	87.5	Confident	13 Å²	13	58.6 Å²	58.6	8%	0.079	32%	0.318	C	S	.	.	H	α-helix	trans	-57.2	-48.1	-177.7	173.4	0	0	0	0	111.5	S91 L92 R93 N117 L119 I146	V89-S91 PolarHBondContact O-N 3.31Å; V89-L92 PolarHBondContact O-N 3.25Å; V89-R93 WeakPolarHBondContact O-CG 3.31Å; V89-R93 PolarHBondContact O-N 2.98Å; V89-N117 HydrophobicContact CG2-CB 4.22Å; V89-L119 HydrophobicContact CG1-CD1 4.39Å; V89-I146 HydrophobicContact CG2-CB 3.92Å; V89-I146 HydrophobicContact CG2-CD1 3.83Å; V89-I146 HydrophobicContact CG2-CG1 4.41Å; V89-I146 HydrophobicContact CG2-CG2 4.09Å
90	E	89.3	Confident	88.5	Confident	124 Å²	124	53.9 Å²	53.9	58%	0.579	29%	0.287	S	S	*	.	H	α-helix	trans	-58.6	-35.8	178.4	-66.4	-176.6	175	0	0	112.7	L88 K94	L88-E90 PolarHBondContact O-N 3.28Å; E90-K94 WeakPolarHBondContact O-CG 3.47Å
91	S	89.9	Confident	89.1	Confident	30 Å²	30	55.2 Å²	55.2	21%	0.21	29%	0.286	C	S	.	.	H	α-helix	trans	-77.1	-41.7	179.7	-58.3	0	0	0	0	111.6	A87 L88 V89 R93 K94 Y217	A87-S91 WeakPolarHBondContact O-CB 3.33Å; A87-S91 PolarHBondContact O-N 3.19Å; A87-S91 PolarHBondContact O-OG 2.85Å; L88-S91 PolarHBondContact O-N 3.15Å; L88-S91 VanDerWaalsContact O-N 3.09Å; V89-S91 PolarHBondContact O-N 3.31Å; S91-R93 VanDerWaalsContact C-N 3.29Å; S91-R93 PolarHBondContact O-N 3.44Å; S91-K94 WeakPolarHBondContact O-CB 3.3Å; S91-K94 PolarHBondContact O-N 3.29Å; S91-K94 VanDerWaalsContact O-N 3.08Å; S91-Y217 VanDerWaalsContact CB-CE1 3.49Å; S91-Y217 VanDerWaalsContact OG-CE1 3.24Å; S91-Y217 WeakPolarHBondContact OG-CE1 3.09Å
92	L	94.3	Very high	89.5	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-62.1	-37.2	177.1	-67.5	-177.4	0	0	0	112.1	L88 V89 K94 L95 L98 H99 L119 Y144 I146 I216 L227	L88-L92 HydrophobicContact CD1-CD1 4.21Å; L88-L92 HydrophobicContact CD1-CD2 4.37Å; L88-L92 HydrophobicContact CD1-CG 4.1Å; L88-L92 HydrophobicContact CG-CD1 3.99Å; L88-L92 HydrophobicContact CG-CG 4.25Å; L88-L92 WeakPolarHBondContact O-CG 3.39Å; L88-L92 PolarHBondContact O-N 2.86Å; V89-L92 PolarHBondContact O-N 3.25Å; L92-K94 PolarHBondContact O-N 3.36Å; L92-K94 VanDerWaalsContact O-N 3.16Å; L92-L95 HydrophobicContact CD2-CD1 4.24Å; L92-L95 PolarHBondContact O-N 3.38Å; L92-L98 HydrophobicContact CD2-CD1 3.64Å; L92-H99 WeakPolarHBondContact O-CB 3.07Å; L92-L119 HydrophobicContact CB-CD2 3.77Å; L92-Y144 HydrophobicContact CD1-CE2 4.32Å; L92-I146 HydrophobicContact CD1-CD1 3.43Å; L92-I146 VanDerWaalsContact CD1-CD1 3.43Å; L92-I216 HydrophobicContact CD2-CD1 3.76Å; L92-L227 HydrophobicContact CD1-CD2 4.13Å; L92-L227 HydrophobicContact CD2-CD2 4.03Å
93	R	92.8	Very high	89.9	Confident	72 Å²	72	56.3 Å²	56.3	27%	0.272	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-27.1	174.3	-76.3	171.1	172.1	-89.4	3.3	113.4	V89 S91 Y110 E116 L119	V89-R93 WeakPolarHBondContact O-CG 3.31Å; V89-R93 PolarHBondContact O-N 2.98Å; S91-R93 VanDerWaalsContact C-N 3.29Å; S91-R93 PolarHBondContact O-N 3.44Å; R93-Y110 VanDerWaalsContact NH1-CE1 3.32Å; R93-Y110 PolarHBondContact NH1-OH 3.45Å; R93-E116 PolarHBondContact NH2-O 2.89Å; R93-L119 HydrophobicContact CG-CD2 3.75Å
94	K	92.7	Very high	90.4	Very high	158 Å²	158	54.9 Å²	54.9	69%	0.687	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-8.9	179.2	-62.1	170.5	-172.3	172.6	0	113.1	E90 S91 L92 P96	E90-K94 WeakPolarHBondContact O-CG 3.47Å; S91-K94 WeakPolarHBondContact O-CB 3.3Å; S91-K94 PolarHBondContact O-N 3.29Å; S91-K94 VanDerWaalsContact O-N 3.08Å; L92-K94 PolarHBondContact O-N 3.36Å; L92-K94 VanDerWaalsContact O-N 3.16Å; K94-P96 WeakPolarHBondContact O-CD 3.43Å
95	L	93.3	Very high	90.8	Very high	35 Å²	35	57.7 Å²	57.7	18%	0.183	29%	0.291	C	S	.	.			trans	-100.2	107.8	-176.6	-64.6	176.7	0	0	0	109.8	L92 I97 L98 H99 R224	L92-L95 HydrophobicContact CD2-CD1 4.24Å; L92-L95 PolarHBondContact O-N 3.38Å; L95-I97 HydrophobicContact CB-CG1 4.32Å; L95-I97 PolarHBondContact O-N 3.38Å; L95-I97 VanDerWaalsContact O-N 3.1Å; L95-L98 HydrophobicContact CB-CB 4.33Å; L95-L98 HydrophobicContact CD1-CD1 4.02Å; L95-L98 CarbonylContact O-C 3.57Å; L95-L98 PolarHBondContact O-N 3.19Å; L95-H99 PolarHBondContact O-N 2.91Å; L95-R224 HydrophobicContact CD1-CG 4.49Å
96	P	93.2	Very high	91.1	Very high	102 Å²	102	61.7 Å²	61.7	66%	0.662	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-28.1	-176.7	-25.8	35.6	0	0	0	113.7	K94 L98 P122	K94-P96 WeakPolarHBondContact O-CD 3.43Å; P96-L98 PolarHBondContact O-N 2.96Å; P96-P122 WeakPolarHBondContact O-CG 3.37Å
97	I	92.6	Very high	91.2	Very high	78 Å²	78	57.9 Å²	57.9	40%	0.4	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-21.3	176.6	55.7	158.5	0	0	0	113.5	L95 R224	L95-I97 HydrophobicContact CB-CG1 4.32Å; L95-I97 PolarHBondContact O-N 3.38Å; L95-I97 VanDerWaalsContact O-N 3.1Å; I97-R224 HydrophobicContact CD1-CB 4.06Å; I97-R224 HydrophobicContact CD1-CG 4.37Å
98	L	94.9	Very high	91.1	Very high	0 Å²	0	65.3 Å²	65.3	0%	0	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.6	-9.5	-176.8	-69.4	168.3	0	0	0	112.2	L92 L95 P96 L121 Y144 I216 L227 L228 L231	L92-L98 HydrophobicContact CD2-CD1 3.64Å; L95-L98 HydrophobicContact CB-CB 4.33Å; L95-L98 HydrophobicContact CD1-CD1 4.02Å; L95-L98 CarbonylContact O-C 3.57Å; L95-L98 PolarHBondContact O-N 3.19Å; P96-L98 PolarHBondContact O-N 2.96Å; L98-L121 HydrophobicContact CB-CD2 4.49Å; L98-L121 HydrophobicContact CD2-CD2 4Å; L98-Y144 WeakPolarHBondContact O-CE1 3.24Å; L98-Y144 PolarHBondContact O-OH 3.24Å; L98-I216 HydrophobicContact CD1-CD1 4.19Å; L98-L227 HydrophobicContact CD1-CD2 4.33Å; L98-L227 HydrophobicContact CD2-CG 4.38Å; L98-L228 HydrophobicContact CD2-CB 4.03Å; L98-L228 HydrophobicContact CD2-CD1 4.2Å; L98-L231 HydrophobicContact CD2-CD1 4.3Å
99	H	95.6	Very high	90.9	Very high	6 Å²	6	65.3 Å²	65.3	3%	0.028	31%	0.308	C	S	.	.			trans	-148.4	118.8	178.7	-169.3	59.1	0	0	0	113.3	L92 L95 E101 Y110 L119 V120	L92-H99 WeakPolarHBondContact O-CB 3.07Å; L95-H99 PolarHBondContact O-N 2.91Å; H99-E101 IonicContact CD2-OE2 2.75Å; H99-E101 IonicContact NE2-OE2 3.79Å; H99-E101 PolarHBondContact NE2-OE2 3.44Å; H99-E101 PolarHBondContact O-N 2.69Å; H99-Y110 PolarHBondContact CE1-OH 3.44Å; H99-Y110 VanDerWaalsContact CE1-OH 3.26Å; H99-Y110 PolarHBondContact NE2-OH 3.45Å; H99-L119 HydrophobicContact CB-CD2 4.15Å; H99-V120 CarbonylContact C-O 3.53Å; H99-V120 VanDerWaalsContact CA-O 3.27Å; H99-V120 WeakPolarHBondContact CA-O 3.43Å
100	D	94.6	Very high	90.4	Very high	36 Å²	36	66.9 Å²	66.9	19%	0.193	31%	0.313	C	S	.	.			trans	-93.7	87.9	171.1	-173.7	-13.8	0	0	0	110.7	L102 Y103 A104 V120 R141	D100-L102 VanDerWaalsContact C-N 3.29Å; D100-L102 PolarHBondContact O-N 3.31Å; D100-L102 PolarHBondContact OD1-N 3.43Å; D100-Y103 PolarHBondContact O-N 3.35Å; D100-Y103 PolarHBondContact OD1-N 3.49Å; D100-A104 PolarHBondContact O-N 3.45Å; D100-V120 HydrophobicContact CB-CG1 4.28Å; D100-V120 PolarHBondContact N-O 3.45Å; D100-V120 WeakPolarHBondContact O-CG1 3.49Å; D100-R141 IonicContact OD2-CZ 2.97Å; D100-R141 IonicContact OD2-NH1 3.68Å; D100-R141 IonicContact OD2-NH2 2.74Å; D100-R141 PolarHBondContact OD2-NH2 2.9Å
101	E	92.4	Very high	90	Very high	58 Å²	58	66.8 Å²	66.8	27%	0.271	31%	0.313	S	S	.	.	H	α-helix	trans	-64.6	-30.5	-179.1	177.5	67.5	-179.3	0	0	112.6	H99 A104 R105 Y110	H99-E101 IonicContact CD2-OE2 2.75Å; H99-E101 IonicContact NE2-OE2 3.79Å; H99-E101 PolarHBondContact NE2-OE2 3.44Å; H99-E101 PolarHBondContact O-N 2.69Å; E101-A104 PolarHBondContact O-N 3.31Å; E101-R105 WeakPolarHBondContact O-CG 3.41Å; E101-R105 PolarHBondContact O-N 3.39Å; E101-R105 VanDerWaalsContact O-N 3.08Å; E101-R105 IonicContact OE1-CZ 3.34Å; E101-R105 IonicContact OE1-NE 2.74Å; E101-R105 PolarHBondContact OE1-NE 2.66Å; E101-R105 IonicContact OE1-NH2 3.5Å; E101-R105 PolarHBondContact OE1-NH2 3.19Å; E101-Y110 PolarHBondContact OE2-OH 3.3Å
102	L	90.8	Very high	89.4	Confident	127 Å²	127	69.7 Å²	69.7	67%	0.665	32%	0.32	S	S	*	.	H	α-helix	trans	-66	-48.5	177.8	-70.5	177.2	0	0	0	110.3	D100 A104 R105 Q106	D100-L102 VanDerWaalsContact C-N 3.29Å; D100-L102 PolarHBondContact O-N 3.31Å; D100-L102 PolarHBondContact OD1-N 3.43Å; L102-A104 VanDerWaalsContact C-N 3.35Å; L102-R105 PolarHBondContact O-N 3.5Å; L102-Q106 WeakPolarHBondContact O-CB 3.5Å; L102-Q106 VanDerWaalsContact O-CG 3.26Å; L102-Q106 WeakPolarHBondContact O-CG 3.26Å; L102-Q106 PolarHBondContact O-N 3.44Å
103	Y	89.4	Confident	88.5	Confident	26 Å²	26	70.4 Å²	70.4	10%	0.102	32%	0.322	C	S	.	.	H	α-helix	trans	-61.4	-44.6	175.2	-176.1	-97.1	0	0	0	111.5	E60 D100 R105 Q106 T107 V120	E60-Y103 PolarHBondContact OE1-OH 3.21Å; D100-Y103 PolarHBondContact O-N 3.35Å; D100-Y103 PolarHBondContact OD1-N 3.49Å; Y103-R105 VanDerWaalsContact C-N 3.31Å; Y103-R105 PolarHBondContact O-N 2.89Å; Y103-Q106 PolarHBondContact O-N 3.01Å; Y103-T107 HydrophobicContact CD1-CG2 4.12Å; Y103-T107 HydrophobicContact CD2-CG2 3.97Å; Y103-T107 HydrophobicContact CE1-CG2 3.78Å; Y103-T107 HydrophobicContact CE2-CG2 3.64Å; Y103-T107 HydrophobicContact CG-CG2 4.23Å; Y103-T107 WeakPolarHBondContact O-CB 3.32Å; Y103-T107 WeakPolarHBondContact O-CG2 3.28Å; Y103-T107 PolarHBondContact O-N 2.94Å; Y103-T107 PolarHBondContact O-OG1 3.38Å; Y103-V120 HydrophobicContact CD1-CB 4.38Å; Y103-V120 HydrophobicContact CD1-CG1 4.04Å; Y103-V120 HydrophobicContact CD1-CG2 3.72Å; Y103-V120 HydrophobicContact CE1-CG2 4Å
104	A	89	Confident	87.4	Confident	0 Å²	0	75.7 Å²	75.7	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-57.5	-42.6	-179.5	0	0	0	0	0	112.6	D100 E101 L102 T107 Y108 L109 Y110 V120	D100-A104 PolarHBondContact O-N 3.45Å; E101-A104 PolarHBondContact O-N 3.31Å; L102-A104 VanDerWaalsContact C-N 3.35Å; A104-T107 PolarHBondContact O-OG1 3.02Å; A104-Y108 PolarHBondContact O-N 2.61Å; A104-L109 HydrophobicContact CB-CB 4.15Å; A104-L109 HydrophobicContact CB-CD1 4.28Å; A104-L109 WeakPolarHBondContact O-CB 3.14Å; A104-L109 PolarHBondContact O-N 2.84Å; A104-Y110 HydrophobicContact CB-CE2 4.08Å; A104-V120 HydrophobicContact CB-CG1 4.13Å
105	R	88.8	Confident	86.5	Confident	166 Å²	166	71.9 Å²	71.9	63%	0.626	33%	0.334	S	S	*	.	H	α-helix	trans	-70.2	-44.2	176.5	-70.1	-179.4	-174.1	-172.9	3.3	112.9	E101 L102 Y103 T107 Y108	E101-R105 WeakPolarHBondContact O-CG 3.41Å; E101-R105 PolarHBondContact O-N 3.39Å; E101-R105 VanDerWaalsContact O-N 3.08Å; E101-R105 IonicContact OE1-CZ 3.34Å; E101-R105 IonicContact OE1-NE 2.74Å; E101-R105 PolarHBondContact OE1-NE 2.66Å; E101-R105 IonicContact OE1-NH2 3.5Å; E101-R105 PolarHBondContact OE1-NH2 3.19Å; L102-R105 PolarHBondContact O-N 3.5Å; Y103-R105 VanDerWaalsContact C-N 3.31Å; Y103-R105 PolarHBondContact O-N 2.89Å; R105-T107 PolarHBondContact O-N 3.48Å; R105-Y108 PolarHBondContact O-N 3.04Å
106	Q	88.6	Confident	85.8	Confident	144 Å²	144	77.8 Å²	77.8	67%	0.673	36%	0.361	S	S	*	.	H	α-helix	trans	-64.3	-31.1	-179.1	-74.4	174.4	-9.4	0	0	112.7	L102 Y103	L102-Q106 WeakPolarHBondContact O-CB 3.5Å; L102-Q106 VanDerWaalsContact O-CG 3.26Å; L102-Q106 WeakPolarHBondContact O-CG 3.26Å; L102-Q106 PolarHBondContact O-N 3.44Å; Y103-Q106 PolarHBondContact O-N 3.01Å
107	T	83.9	Confident	85.7	Confident	33 Å²	33	76 Å²	76	20%	0.202	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.2	2	-179.4	56.7	0	0	0	0	113.8	P55 Y103 A104 R105 L109	P55-T107 HydrophobicContact CG-CG2 3.44Å; P55-T107 VanDerWaalsContact CG-CG2 3.44Å; Y103-T107 HydrophobicContact CD1-CG2 4.12Å; Y103-T107 HydrophobicContact CD2-CG2 3.97Å; Y103-T107 HydrophobicContact CE1-CG2 3.78Å; Y103-T107 HydrophobicContact CE2-CG2 3.64Å; Y103-T107 HydrophobicContact CG-CG2 4.23Å; Y103-T107 WeakPolarHBondContact O-CB 3.32Å; Y103-T107 WeakPolarHBondContact O-CG2 3.28Å; Y103-T107 PolarHBondContact O-N 2.94Å; Y103-T107 PolarHBondContact O-OG1 3.38Å; A104-T107 PolarHBondContact O-OG1 3.02Å; R105-T107 PolarHBondContact O-N 3.48Å; T107-L109 PolarHBondContact O-N 3.21Å
108	Y	84.9	Confident	85.8	Confident	162 Å²	162	72.2 Å²	72.2	64%	0.635	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.8	42.8	-173.8	-57	-83.1	0	0	0	111.4	A104 R105 Y110 E111 Y112	A104-Y108 PolarHBondContact O-N 2.61Å; R105-Y108 PolarHBondContact O-N 3.04Å; Y108-Y110 PolarHBondContact O-N 2.94Å; Y108-E111 VanDerWaalsContact CA-OE2 3.32Å; Y108-E111 WeakPolarHBondContact CA-OE2 3.42Å; Y108-E111 PolarHBondContact O-N 3.38Å; Y108-Y112 WeakPolarHBondContact O-CB 3.39Å; Y108-Y112 PolarHBondContact O-N 3.1Å
109	L	85.3	Confident	85.8	Confident	2 Å²	2	72.2 Å²	72.2	1%	0.01	33%	0.326	C	S	.	.	H	α-helix	trans	-57.3	-39.7	-169.3	-176.2	152.9	0	0	0	111.5	A104 T107 Y112 Y113 T118 V120 I143	A104-L109 HydrophobicContact CB-CB 4.15Å; A104-L109 HydrophobicContact CB-CD1 4.28Å; A104-L109 WeakPolarHBondContact O-CB 3.14Å; A104-L109 PolarHBondContact O-N 2.84Å; T107-L109 PolarHBondContact O-N 3.21Å; L109-Y112 PolarHBondContact O-N 3.21Å; L109-Y113 HydrophobicContact CD2-CD2 4.03Å; L109-Y113 HydrophobicContact CG-CD2 3.77Å; L109-Y113 HydrophobicContact CG-CE2 4.04Å; L109-Y113 WeakPolarHBondContact O-CB 3.47Å; L109-Y113 VanDerWaalsContact O-CD2 3.31Å; L109-Y113 WeakPolarHBondContact O-CD2 3.48Å; L109-Y113 PolarHBondContact O-N 3.04Å; L109-T118 HydrophobicContact CD2-CG2 3.8Å; L109-V120 HydrophobicContact CD1-CB 3.75Å; L109-V120 HydrophobicContact CD1-CG1 3.75Å; L109-I143 HydrophobicContact CD1-CD1 4.18Å
110	Y	82.3	Confident	85.7	Confident	46 Å²	46	72 Å²	72	18%	0.18	33%	0.325	C	S	.	.	H	α-helix	trans	-69.4	-40.3	-176.9	-52.6	-56.1	0	0	0	111.8	R93 H99 E101 A104 Y108 K114	R93-Y110 VanDerWaalsContact NH1-CE1 3.32Å; R93-Y110 PolarHBondContact NH1-OH 3.45Å; H99-Y110 PolarHBondContact CE1-OH 3.44Å; H99-Y110 VanDerWaalsContact CE1-OH 3.26Å; H99-Y110 PolarHBondContact NE2-OH 3.45Å; E101-Y110 PolarHBondContact OE2-OH 3.3Å; A104-Y110 HydrophobicContact CB-CE2 4.08Å; Y108-Y110 PolarHBondContact O-N 2.94Å; Y110-K114 VanDerWaalsContact O-CA 3.31Å; Y110-K114 WeakPolarHBondContact O-CA 3.42Å; Y110-K114 PolarHBondContact O-N 3.2Å
111	E	81.1	Confident	85.7	Confident	121 Å²	121	70.4 Å²	70.4	57%	0.565	32%	0.317	S	S	*	.	H	α-helix	trans	-70.4	-39.1	175.8	-62.4	78	-174.8	0	0	111.4	Y108 K114	Y108-E111 VanDerWaalsContact CA-OE2 3.32Å; Y108-E111 WeakPolarHBondContact CA-OE2 3.42Å; Y108-E111 PolarHBondContact O-N 3.38Å; E111-K114 VanDerWaalsContact O-CG 3.27Å; E111-K114 WeakPolarHBondContact O-CG 3.27Å
112	Y	75.9	Confident	85.6	Confident	92 Å²	92	70.1 Å²	70.1	36%	0.361	32%	0.32	S	S	.	.	H	α-helix	trans	-66.8	-48.1	-178.9	-171.8	-98.5	0	0	0	112.3	Y108 L109 R565 E569	Y108-Y112 WeakPolarHBondContact O-CB 3.39Å; Y108-Y112 PolarHBondContact O-N 3.1Å; L109-Y112 PolarHBondContact O-N 3.21Å; Y112-R565 PolarHBondContact O-NH2 3.43Å; Y112-E569 VanDerWaalsContact OH-CD 3.23Å; Y112-E569 PolarHBondContact OH-OE1 3.41Å; Y112-E569 PolarHBondContact OH-OE2 3.25Å
113	Y	75.3	Confident	85	Confident	14 Å²	14	69 Å²	69	6%	0.055	31%	0.31	C	S	.	.	H	α-helix	trans	-87	-16.3	-178.3	-70	-66.2	0	0	0	113.3	E60 L109 L115 T118 I143	E60-Y113 PolarHBondContact OE2-OH 2.91Å; L109-Y113 HydrophobicContact CD2-CD2 4.03Å; L109-Y113 HydrophobicContact CG-CD2 3.77Å; L109-Y113 HydrophobicContact CG-CE2 4.04Å; L109-Y113 WeakPolarHBondContact O-CB 3.47Å; L109-Y113 VanDerWaalsContact O-CD2 3.31Å; L109-Y113 WeakPolarHBondContact O-CD2 3.48Å; L109-Y113 PolarHBondContact O-N 3.04Å; Y113-L115 WeakPolarHBondContact O-CG 3.44Å; Y113-L115 PolarHBondContact O-N 3.31Å; Y113-L115 VanDerWaalsContact O-N 3.14Å; Y113-T118 HydrophobicContact CD2-CG2 4.22Å; Y113-T118 HydrophobicContact CG-CG2 4.38Å; Y113-I143 HydrophobicContact CE2-CD1 3.64Å; Y113-I143 HydrophobicContact CE2-CG2 4.14Å; Y113-I143 WeakPolarHBondContact OH-CD1 3.36Å
114	K	71.7	Confident	83.8	Confident	184 Å²	184	69.9 Å²	69.9	80%	0.8	32%	0.318	S	S	*	.			trans	51.6	30.5	-177.9	-54.9	-173.8	-179.6	-177	0	113.3	Y110 E111	Y110-K114 VanDerWaalsContact O-CA 3.31Å; Y110-K114 WeakPolarHBondContact O-CA 3.42Å; Y110-K114 PolarHBondContact O-N 3.2Å; E111-K114 VanDerWaalsContact O-CG 3.27Å; E111-K114 WeakPolarHBondContact O-CG 3.27Å
115	L	73.4	Confident	82.2	Confident	78 Å²	78	75.5 Å²	75.5	41%	0.408	35%	0.353	S	S	.	.			trans	-136.2	100.6	-174.2	-74.3	167.7	0	0	0	107.7	Y113 N117 T118 T145	Y113-L115 WeakPolarHBondContact O-CG 3.44Å; Y113-L115 PolarHBondContact O-N 3.31Å; Y113-L115 VanDerWaalsContact O-N 3.14Å; L115-N117 PolarHBondContact O-N 3.29Å; L115-T118 VanDerWaalsContact CB-OG1 3.24Å; L115-T118 WeakPolarHBondContact CB-OG1 3.43Å; L115-T118 WeakPolarHBondContact O-CB 3.46Å; L115-T118 PolarHBondContact O-N 3.45Å; L115-T118 PolarHBondContact O-OG1 3.4Å; L115-T145 HydrophobicContact CD1-CG2 4.16Å
116	E	78.6	Confident	80.3	Confident	159 Å²	159	70 Å²	70	74%	0.743	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-17.6	179.8	-64.1	-175.8	175.4	0	0	112.8	R93 T118	R93-E116 PolarHBondContact NH2-O 2.89Å; E116-T118 VanDerWaalsContact C-N 3.28Å; E116-T118 PolarHBondContact O-N 3.14Å
117	N	90.9	Very high	78.3	Confident	63 Å²	63	65.8 Å²	65.8	34%	0.337	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	15.9	178.7	-58.6	-4.3	0	0	0	113.3	V89 L115 T145 I146	V89-N117 HydrophobicContact CG2-CB 4.22Å; L115-N117 PolarHBondContact O-N 3.29Å; N117-T145 WeakPolarHBondContact O-CA 3.39Å; N117-I146 WeakPolarHBondContact CB-O 3.49Å; N117-I146 PolarHBondContact ND2-O 3.19Å; N117-I146 PolarHBondContact O-N 3.42Å
118	T	93.4	Very high	76.3	Confident	0 Å²	0	68.4 Å²	68.4	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	131.5	178.2	-51.2	0	0	0	0	110.8	L109 Y113 L115 E116 I143 Y144 T145	L109-T118 HydrophobicContact CD2-CG2 3.8Å; Y113-T118 HydrophobicContact CD2-CG2 4.22Å; Y113-T118 HydrophobicContact CG-CG2 4.38Å; L115-T118 VanDerWaalsContact CB-OG1 3.24Å; L115-T118 WeakPolarHBondContact CB-OG1 3.43Å; L115-T118 WeakPolarHBondContact O-CB 3.46Å; L115-T118 PolarHBondContact O-N 3.45Å; L115-T118 PolarHBondContact O-OG1 3.4Å; E116-T118 VanDerWaalsContact C-N 3.28Å; E116-T118 PolarHBondContact O-N 3.14Å; T118-I143 HydrophobicContact CG2-CG2 3.39Å; T118-Y144 WeakPolarHBondContact CA-O 3.31Å; T118-T145 PolarHBondContact OG1-OG1 2.98Å; T118-T145 VanDerWaalsContact OG1-OG1 3.13Å
119	L	94.9	Very high	74.3	Confident	0 Å²	0	67.2 Å²	67.2	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	165.5	178.7	-58.2	103.2	0	0	0	109.6	V89 L92 R93 H99 I143 Y144 I146	V89-L119 HydrophobicContact CG1-CD1 4.39Å; L92-L119 HydrophobicContact CB-CD2 3.77Å; R93-L119 HydrophobicContact CG-CD2 3.75Å; H99-L119 HydrophobicContact CB-CD2 4.15Å; L119-I143 CarbonylContact O-C 3.47Å; L119-I143 WeakPolarHBondContact O-CA 3.46Å; L119-Y144 HydrophobicContact CB-CD1 4.16Å; L119-Y144 HydrophobicContact CB-CD2 4.4Å; L119-Y144 HydrophobicContact CB-CE1 3.56Å; L119-Y144 HydrophobicContact CB-CE2 3.87Å; L119-Y144 VanDerWaalsContact CB-CZ 3.42Å; L119-Y144 HydrophobicContact CD1-CD2 4.26Å; L119-Y144 HydrophobicContact CD1-CE2 3.66Å; L119-Y144 HydrophobicContact CG-CE2 4.27Å; L119-Y144 PolarHBondContact N-O 3.03Å; L119-Y144 PolarHBondContact O-N 3.15Å; L119-I146 HydrophobicContact CD1-CD1 3.8Å; L119-I146 HydrophobicContact CD1-CG1 4.23Å
120	V	94.8	Very high	72.4	Confident	0 Å²	0	72.3 Å²	72.3	0%	0	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	131.1	-178.7	55.3	0	0	0	0	109.8	H99 D100 Y103 A104 L109 R141 I142 I143	H99-V120 CarbonylContact C-O 3.53Å; H99-V120 VanDerWaalsContact CA-O 3.27Å; H99-V120 WeakPolarHBondContact CA-O 3.43Å; D100-V120 HydrophobicContact CB-CG1 4.28Å; D100-V120 PolarHBondContact N-O 3.45Å; D100-V120 WeakPolarHBondContact O-CG1 3.49Å; Y103-V120 HydrophobicContact CD1-CB 4.38Å; Y103-V120 HydrophobicContact CD1-CG1 4.04Å; Y103-V120 HydrophobicContact CD1-CG2 3.72Å; Y103-V120 HydrophobicContact CE1-CG2 4Å; A104-V120 HydrophobicContact CB-CG1 4.13Å; L109-V120 HydrophobicContact CD1-CB 3.75Å; L109-V120 HydrophobicContact CD1-CG1 3.75Å; V120-R141 HydrophobicContact CG2-CG 3.72Å; V120-I142 WeakPolarHBondContact CA-O 3.28Å; V120-I143 HydrophobicContact CB-CG1 4.23Å; V120-I143 HydrophobicContact CG2-CG1 3.98Å
121	L	94.8	Very high	70.4	Confident	4 Å²	4	78.9 Å²	78.9	2%	0.021	40%	0.403	C	S	.	.	P	Polyproline II helix	trans	-73.8	148.5	174.9	-66.8	-173	0	0	0	111.1	L98 R141 I142 Y144 L228 L231	L98-L121 HydrophobicContact CB-CD2 4.49Å; L98-L121 HydrophobicContact CD2-CD2 4Å; L121-R141 PolarHBondContact O-NE 3.39Å; L121-I142 HydrophobicContact CB-CB 4.3Å; L121-I142 HydrophobicContact CD1-CB 3.95Å; L121-I142 HydrophobicContact CD1-CD1 3.9Å; L121-I142 HydrophobicContact CD1-CG2 4.09Å; L121-I142 HydrophobicContact CG-CB 4.21Å; L121-I142 HydrophobicContact CG-CG2 4.36Å; L121-I142 PolarHBondContact N-O 3.41Å; L121-Y144 HydrophobicContact CD2-CD1 4.37Å; L121-Y144 HydrophobicContact CD2-CE1 3.73Å; L121-Y144 HydrophobicContact CG-CD1 4.24Å; L121-Y144 HydrophobicContact CG-CE1 4.07Å; L121-L228 HydrophobicContact CD1-CD1 3.91Å; L121-L228 HydrophobicContact CD2-CD1 4.15Å; L121-L231 HydrophobicContact CD1-CB 3.92Å; L121-L231 HydrophobicContact CD1-CD1 4.24Å; L121-L231 HydrophobicContact CD2-CD1 4.14Å
122	P	89.9	Confident	68.5	Low	51 Å²	51	81.5 Å²	81.5	33%	0.331	41%	0.412	S	S	.	.	P	Polyproline II helix	trans	-51.4	145.8	164.8	-24.8	34.2	0	0	0	111.3	P96	P96-P122 WeakPolarHBondContact O-CG 3.37Å
123	K	78	Confident	66.6	Low	104 Å²	104	81.4 Å²	81.4	45%	0.452	42%	0.423	S	S	.	.	P	Polyproline II helix	trans	-69.7	134.5	178	-165.2	178.1	177.3	-179.4	0	106	T125	K123-T125 PolarHBondContact O-N 2.95Å; K123-T125 VanDerWaalsContact O-N 3.12Å
124	P	64.2	Low	64.9	Low	44 Å²	44	88 Å²	88	29%	0.286	45%	0.448	S	S	.	.	P	Polyproline II helix	trans	-53.8	123.9	165.6	-18.5	29.7	0	0	0	107.4	P126	P124-P126 VanDerWaalsContact O-CD 3.3Å; P124-P126 WeakPolarHBondContact O-CD 3.49Å; P124-P126 VanDerWaalsContact O-N 3.1Å
125	T	55.6	Low	63.4	Low	118 Å²	118	85 Å²	85	72%	0.724	45%	0.447	S	S	*	.	P	Polyproline II helix	trans	-55.6	119.8	-178.6	-20.5	0	0	0	0	108.2	K123 Q127	K123-T125 PolarHBondContact O-N 2.95Å; K123-T125 VanDerWaalsContact O-N 3.12Å; T125-Q127 PolarHBondContact O-N 3.34Å; T125-Q127 VanDerWaalsContact O-N 3.09Å
126	P	48.1	Very low	62	Low	52 Å²	52	82.8 Å²	82.8	34%	0.338	44%	0.438	S	S	.	.	P	Polyproline II helix	trans	-59.1	119.1	174.8	-19.9	31.4	0	0	0	108.1	P124 S128 D129	P124-P126 VanDerWaalsContact O-CD 3.3Å; P124-P126 WeakPolarHBondContact O-CD 3.49Å; P124-P126 VanDerWaalsContact O-N 3.1Å; P126-S128 PolarHBondContact O-N 3.33Å; P126-D129 PolarHBondContact O-N 2.93Å
127	Q	46.8	Very low	60.8	Low	54 Å²	54	84.6 Å²	84.6	25%	0.252	44%	0.444	S	S	.	.	G	3₁₀ helix	trans	-69.7	6	179.1	-65.2	-179.8	-1.2	0	0	112.8	T125 D129 L130 R134	T125-Q127 PolarHBondContact O-N 3.34Å; T125-Q127 VanDerWaalsContact O-N 3.09Å; Q127-D129 PolarHBondContact O-N 2.96Å; Q127-L130 HydrophobicContact CB-CD1 4.14Å; Q127-L130 HydrophobicContact CG-CD1 3.99Å; Q127-L130 PolarHBondContact O-N 3.19Å; Q127-L130 VanDerWaalsContact O-N 3.16Å; Q127-R134 VanDerWaalsContact OE1-CB 3.22Å; Q127-R134 PolarHBondContact OE1-O 3.06Å
128	S	43.3	Very low	59.3	Low	88 Å²	88	83.4 Å²	83.4	62%	0.615	44%	0.437	S	S	*	.	G	3₁₀ helix	trans	-63	-19.6	169.6	54.4	0	0	0	0	113.3	P126 L130	P126-S128 PolarHBondContact O-N 3.33Å; S128-L130 VanDerWaalsContact C-N 3.34Å
129	D	42.3	Very low	58.2	Low	138 Å²	138	88 Å²	88	74%	0.738	46%	0.462	S	S	*	.	G	3₁₀ helix	trans	-90.5	2	176.3	-62.1	-18.1	0	0	0	112.7	P126 Q127	P126-D129 PolarHBondContact O-N 2.93Å; Q127-D129 PolarHBondContact O-N 2.96Å
130	L	45.5	Very low	57.4	Low	108 Å²	108	90.1 Å²	90.1	57%	0.565	47%	0.471	S	S	*	.	S	Bend	trans	-101.1	142.5	174.5	-68.1	167.6	0	0	0	110.2	Q127 S128 F132	Q127-L130 HydrophobicContact CB-CD1 4.14Å; Q127-L130 HydrophobicContact CG-CD1 3.99Å; Q127-L130 PolarHBondContact O-N 3.19Å; Q127-L130 VanDerWaalsContact O-N 3.16Å; S128-L130 VanDerWaalsContact C-N 3.34Å; L130-F132 PolarHBondContact O-N 2.98Å
131	Q	40.2	Very low	57.1	Low	185 Å²	185	91.5 Å²	91.5	86%	0.864	48%	0.476	S	S	*	.	S	Bend	trans	-60.3	-8.9	-177.7	-142.6	155.8	35.7	0	0	114.2
132	F	40.8	Very low	57	Low	175 Å²	175	91.5 Å²	91.5	77%	0.768	48%	0.476	S	S	*	.	S	Bend	trans	-140.1	89.2	172.3	-60.6	-78.7	0	0	0	110.2	L130 R134	L130-F132 PolarHBondContact O-N 2.98Å; F132-R134 PolarHBondContact O-N 3.13Å
133	P	35.7	Very low	57.2	Low	91 Å²	91	89.1 Å²	89.1	59%	0.591	46%	0.461	S	S	*	.			trans	-68.2	123.5	-179.8	25	-31.3	0	0	0	110.5
134	R	40.2	Very low	58	Low	151 Å²	151	84.2 Å²	84.2	57%	0.57	44%	0.439	S	S	*	.			trans	-90.9	144.5	161.5	-47	-177.8	-169.9	175.6	3.4	107.9	Q127 F132 S136	Q127-R134 VanDerWaalsContact OE1-CB 3.22Å; Q127-R134 PolarHBondContact OE1-O 3.06Å; F132-R134 PolarHBondContact O-N 3.13Å; R134-S136 VanDerWaalsContact C-N 3.3Å; R134-S136 PolarHBondContact O-N 3.41Å
135	P	40	Very low	59.6	Low	121 Å²	121	82.6 Å²	82.6	79%	0.786	43%	0.429	S	S	*	.			trans	-69.2	87.9	175.7	27	-32.1	0	0	0	109.6	K137	P135-K137 PolarHBondContact O-N 3.04Å; P135-K137 VanDerWaalsContact O-N 3.12Å
136	S	44.8	Very low	61.5	Low	32 Å²	32	77.1 Å²	77.1	22%	0.224	40%	0.395	C	S	.	.			trans	-67.3	110.4	170.8	59.2	0	0	0	0	108.5	R134 L138 N139	R134-S136 VanDerWaalsContact C-N 3.3Å; R134-S136 PolarHBondContact O-N 3.41Å; S136-L138 PolarHBondContact O-N 2.99Å; S136-L138 VanDerWaalsContact O-N 3.09Å; S136-N139 PolarHBondContact O-OD1 3.24Å
137	K	52.4	Low	63.8	Low	198 Å²	198	77.4 Å²	77.4	86%	0.861	39%	0.393	S	S	*	.	S	Bend	trans	-67.8	0.6	175.1	-68.4	179.7	177.7	178.4	0	113.4	P135	P135-K137 PolarHBondContact O-N 3.04Å; P135-K137 VanDerWaalsContact O-N 3.12Å
138	L	60.4	Low	66.1	Low	38 Å²	38	76.5 Å²	76.5	20%	0.199	39%	0.389	C	S	.	.			trans	-105.3	84.2	-172.7	-60.5	176.7	0	0	0	110.9	S136 Q236 F237 F282	S136-L138 PolarHBondContact O-N 2.99Å; S136-L138 VanDerWaalsContact O-N 3.09Å; L138-Q236 HydrophobicContact CD2-CB 3.69Å; L138-Q236 HydrophobicContact CD2-CG 3.95Å; L138-F237 HydrophobicContact CD2-CE1 4.22Å; L138-F237 HydrophobicContact CD2-CE2 4.04Å; L138-F237 HydrophobicContact CD2-CZ 3.55Å; L138-F282 HydrophobicContact CD1-CD2 3.99Å; L138-F282 HydrophobicContact CD1-CE2 4.27Å
139	N	68.6	Low	68.6	Low	96 Å²	96	72.9 Å²	72.9	51%	0.513	36%	0.362	S	S	.	.			trans	-107.2	-10.3	-172.4	-73.4	-14.1	0	0	0	114.8	N59 S136	N59-N139 PolarHBondContact ND2-O 2.9Å; N59-N139 PolarHBondContact OD1-O 3.33Å; S136-N139 PolarHBondContact O-OD1 3.24Å
140	K	78.9	Confident	70.9	Confident	45 Å²	45	70.9 Å²	70.9	20%	0.196	36%	0.359	C	S	.	.	P	Polyproline II helix	trans	-89.2	137.6	-175.4	-63.9	-172.7	-178	-173.2	0	112.1	N59 K533	N59-K140 VanDerWaalsContact O-CA 3.29Å; N59-K140 WeakPolarHBondContact O-CA 3.26Å; K140-K533 VanDerWaalsContact NZ-CD 3.33Å
141	R	88.3	Confident	73.2	Confident	28 Å²	28	70.1 Å²	70.1	11%	0.106	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	129.3	170.9	174.9	149.7	-97	-178.9	-20.2	109.2	N59 E60 S61 D100 V120 L121	N59-R141 PolarHBondContact O-N 2.99Å; E60-R141 CarbonylContact C-O 3.59Å; E60-R141 VanDerWaalsContact CA-O 3.26Å; E60-R141 WeakPolarHBondContact CA-O 3.41Å; S61-R141 PolarHBondContact N-O 2.97Å; D100-R141 IonicContact OD2-CZ 2.97Å; D100-R141 IonicContact OD2-NH1 3.68Å; D100-R141 IonicContact OD2-NH2 2.74Å; D100-R141 PolarHBondContact OD2-NH2 2.9Å; V120-R141 HydrophobicContact CG2-CG 3.72Å; L121-R141 PolarHBondContact O-NE 3.39Å
142	I	92.5	Very high	75.7	Confident	4 Å²	4	62.5 Å²	62.5	2%	0.021	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	121.6	-176.2	-64	157.5	0	0	0	109.1	S61 V63 V120 L121 L232 Q236	S61-I142 WeakPolarHBondContact O-CA 3.33Å; V63-I142 HydrophobicContact CG2-CG2 4.01Å; V120-I142 WeakPolarHBondContact CA-O 3.28Å; L121-I142 HydrophobicContact CB-CB 4.3Å; L121-I142 HydrophobicContact CD1-CB 3.95Å; L121-I142 HydrophobicContact CD1-CD1 3.9Å; L121-I142 HydrophobicContact CD1-CG2 4.09Å; L121-I142 HydrophobicContact CG-CB 4.21Å; L121-I142 HydrophobicContact CG-CG2 4.36Å; L121-I142 PolarHBondContact N-O 3.41Å; I142-L232 HydrophobicContact CD1-CD2 3.75Å; I142-L232 HydrophobicContact CD1-CG 4.4Å; I142-Q236 HydrophobicContact CD1-CG 4.06Å
143	I	93.8	Very high	78.1	Confident	1 Å²	1	55.8 Å²	55.8	1%	0.005	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	131.6	168.7	-62.3	-172.4	0	0	0	107.1	E60 S61 R62 V63 L109 Y113 T118 L119 V120	E60-I143 HydrophobicContact CG-CD1 4.31Å; E60-I143 WeakPolarHBondContact OE2-CD1 3.37Å; S61-I143 PolarHBondContact O-N 2.89Å; R62-I143 CarbonylContact C-O 3.44Å; R62-I143 VanDerWaalsContact CA-O 3.26Å; R62-I143 WeakPolarHBondContact CA-O 3.31Å; V63-I143 PolarHBondContact N-O 3.45Å; L109-I143 HydrophobicContact CD1-CD1 4.18Å; Y113-I143 HydrophobicContact CE2-CD1 3.64Å; Y113-I143 HydrophobicContact CE2-CG2 4.14Å; Y113-I143 WeakPolarHBondContact OH-CD1 3.36Å; T118-I143 HydrophobicContact CG2-CG2 3.39Å; L119-I143 CarbonylContact O-C 3.47Å; L119-I143 WeakPolarHBondContact O-CA 3.46Å; V120-I143 HydrophobicContact CB-CG1 4.23Å; V120-I143 HydrophobicContact CG2-CG1 3.98Å
144	Y	96.4	Very high	80.8	Confident	1 Å²	1	54.1 Å²	54.1	0%	0.004	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	139.5	-178.5	69.4	-83.3	0	0	0	111.9	V63 V65 L92 L98 T118 L119 L121 I146 L231	V63-Y144 CarbonylContact O-C 3.58Å; V63-Y144 WeakPolarHBondContact O-CA 3.42Å; V63-Y144 WeakPolarHBondContact O-CB 3.42Å; V65-Y144 HydrophobicContact CG2-CD2 3.68Å; V65-Y144 HydrophobicContact CG2-CG 4.32Å; L92-Y144 HydrophobicContact CD1-CE2 4.32Å; L98-Y144 WeakPolarHBondContact O-CE1 3.24Å; L98-Y144 PolarHBondContact O-OH 3.24Å; T118-Y144 WeakPolarHBondContact CA-O 3.31Å; L119-Y144 HydrophobicContact CB-CD1 4.16Å; L119-Y144 HydrophobicContact CB-CD2 4.4Å; L119-Y144 HydrophobicContact CB-CE1 3.56Å; L119-Y144 HydrophobicContact CB-CE2 3.87Å; L119-Y144 VanDerWaalsContact CB-CZ 3.42Å; L119-Y144 HydrophobicContact CD1-CD2 4.26Å; L119-Y144 HydrophobicContact CD1-CE2 3.66Å; L119-Y144 HydrophobicContact CG-CE2 4.27Å; L119-Y144 PolarHBondContact N-O 3.03Å; L119-Y144 PolarHBondContact O-N 3.15Å; L121-Y144 HydrophobicContact CD2-CD1 4.37Å; L121-Y144 HydrophobicContact CD2-CE1 3.73Å; L121-Y144 HydrophobicContact CG-CD1 4.24Å; L121-Y144 HydrophobicContact CG-CE1 4.07Å; Y144-I146 HydrophobicContact CD2-CG1 4.28Å; Y144-I146 HydrophobicContact CE2-CD1 4.1Å; Y144-I146 HydrophobicContact CE2-CG1 4.28Å; Y144-L231 HydrophobicContact CD1-CD1 4.03Å; Y144-L231 HydrophobicContact CD1-CD2 4.27Å; Y144-L231 HydrophobicContact CD2-CD1 4.3Å; Y144-L231 HydrophobicContact CD2-CD2 4.09Å; Y144-L231 HydrophobicContact CE1-CD1 3.98Å; Y144-L231 HydrophobicContact CE2-CD1 4.22Å; Y144-L231 HydrophobicContact CG-CD1 4.18Å; Y144-L231 HydrophobicContact CG-CD2 3.78Å
145	T	96.3	Very high	83.4	Confident	11 Å²	11	47 Å²	47	7%	0.067	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	133.4	179.8	-58.8	0	0	0	0	108.7	V63 V65 L115 N117 T118	V63-T145 PolarHBondContact O-N 3.46Å; V65-T145 PolarHBondContact N-O 2.82Å; L115-T145 HydrophobicContact CD1-CG2 4.16Å; N117-T145 WeakPolarHBondContact O-CA 3.39Å; T118-T145 PolarHBondContact OG1-OG1 2.98Å; T118-T145 VanDerWaalsContact OG1-OG1 3.13Å
146	I	96.4	Very high	85.9	Confident	3 Å²	3	44.7 Å²	44.7	2%	0.015	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	117.4	177.4	-64.5	172.9	0	0	0	110.2	V65 N67 L88 V89 L92 N117 L119 Y144 E148	V65-I146 HydrophobicContact CB-CG1 3.96Å; V65-I146 HydrophobicContact CG1-CG1 4.25Å; V65-I146 HydrophobicContact CG2-CG1 4.49Å; V65-I146 CarbonylContact O-C 3.57Å; V65-I146 WeakPolarHBondContact O-CA 3.27Å; N67-I146 HydrophobicContact CB-CG2 4.25Å; L88-I146 HydrophobicContact CD2-CD1 4.41Å; V89-I146 HydrophobicContact CG2-CB 3.92Å; V89-I146 HydrophobicContact CG2-CD1 3.83Å; V89-I146 HydrophobicContact CG2-CG1 4.41Å; V89-I146 HydrophobicContact CG2-CG2 4.09Å; L92-I146 HydrophobicContact CD1-CD1 3.43Å; L92-I146 VanDerWaalsContact CD1-CD1 3.43Å; N117-I146 WeakPolarHBondContact CB-O 3.49Å; N117-I146 PolarHBondContact ND2-O 3.19Å; N117-I146 PolarHBondContact O-N 3.42Å; L119-I146 HydrophobicContact CD1-CD1 3.8Å; L119-I146 HydrophobicContact CD1-CG1 4.23Å; Y144-I146 HydrophobicContact CD2-CG1 4.28Å; Y144-I146 HydrophobicContact CE2-CD1 4.1Å; Y144-I146 HydrophobicContact CE2-CG1 4.28Å; I146-E148 HydrophobicContact CG2-CB 4.5Å
147	L	96.1	Very high	88.2	Confident	57 Å²	57	48.7 Å²	48.7	30%	0.298	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	105.7	164.6	176.2	64.7	0	0	0	108.4	L64 V65 I66 N67 Y149 D169	L64-L147 HydrophobicContact CD1-CB 4.04Å; V65-L147 PolarHBondContact O-N 2.88Å; I66-L147 WeakPolarHBondContact CA-O 3.26Å; I66-L147 HydrophobicContact CG1-CD2 4.38Å; N67-L147 PolarHBondContact N-O 3.47Å; L147-Y149 HydrophobicContact CD2-CE1 4.23Å; L147-Y149 HydrophobicContact CG-CE1 4.39Å; L147-D169 HydrophobicContact CD2-CB 4.1Å
148	E	95.1	Very high	90.2	Very high	36 Å²	36	40.3 Å²	40.3	17%	0.168	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	131.7	179.6	-168	168.5	103.6	0	0	111.9	N67 A85 N86 I146 L152	N67-E148 HydrophobicContact CB-CB 4.46Å; N67-E148 HydrophobicContact CB-CG 4.24Å; N67-E148 PolarHBondContact ND2-OE2 2.88Å; A85-E148 WeakPolarHBondContact CA-OE1 3.44Å; N86-E148 PolarHBondContact N-OE1 3.43Å; I146-E148 HydrophobicContact CG2-CB 4.5Å; E148-L152 HydrophobicContact CG-CD1 4.46Å; E148-L152 HydrophobicContact CG-CD2 3.76Å; E148-L152 HydrophobicContact CG-CG 4.32Å
149	Y	95.5	Very high	91.8	Very high	12 Å²	12	41.4 Å²	41.4	5%	0.047	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	148.4	175.5	-78.4	9.9	0	0	0	111.9	I66 N67 T68 L147 L152 R165 I166 D169	I66-Y149 HydrophobicContact CG2-CD1 4.17Å; I66-Y149 HydrophobicContact CG2-CE1 3.59Å; I66-Y149 HydrophobicContact CG2-CE2 4.35Å; N67-Y149 WeakPolarHBondContact O-CB 3.43Å; N67-Y149 PolarHBondContact O-N 2.96Å; T68-Y149 HydrophobicContact CG2-CD2 4Å; T68-Y149 HydrophobicContact CG2-CE2 3.98Å; L147-Y149 HydrophobicContact CD2-CE1 4.23Å; L147-Y149 HydrophobicContact CG-CE1 4.39Å; Y149-L152 WeakPolarHBondContact O-CD2 3.29Å; Y149-R165 HydrophobicContact CE2-CB 4.48Å; Y149-R165 HydrophobicContact CE2-CG 4Å; Y149-R165 PolarHBondContact OH-O 3.44Å; Y149-I166 HydrophobicContact CE2-CG1 3.94Å; Y149-I166 VanDerWaalsContact OH-CA 3.27Å; Y149-I166 WeakPolarHBondContact OH-CA 3.39Å; Y149-I166 PolarHBondContact OH-N 2.86Å; Y149-D169 WeakPolarHBondContact CE1-OD2 3.39Å; Y149-D169 PolarHBondContact OH-OD2 3.04Å
150	S	91.7	Very high	93	Very high	96 Å²	96	38 Å²	38	67%	0.671	22%	0.218	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-127.9	125	169.5	-175.3	0	0	0	0	108.6	R165	S150-R165 PolarHBondContact O-NH1 3.07Å
151	P	92.7	Very high	93.7	Very high	92 Å²	92	40.9 Å²	40.9	60%	0.597	24%	0.235	S	C	*	.	E	Extended strand (participates in β ladder)	cis	-67.4	157.6	-11.3	32	-35.4	0	0	0	112.1	L153	P151-L153 HydrophobicContact CG-CD2 4.2Å
152	L	93.4	Very high	94.1	Very high	25 Å²	25	41.1 Å²	41.1	13%	0.131	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	140.4	163.5	-70.9	174.1	0	0	0	109.2	N67 P83 E148 Y149	N67-L152 WeakPolarHBondContact O-CD2 3.45Å; P83-L152 HydrophobicContact CB-CB 3.47Å; P83-L152 VanDerWaalsContact CB-CB 3.47Å; P83-L152 HydrophobicContact CB-CD1 3.85Å; P83-L152 HydrophobicContact CB-CG 4.32Å; P83-L152 HydrophobicContact CG-CB 4.14Å; E148-L152 HydrophobicContact CG-CD1 4.46Å; E148-L152 HydrophobicContact CG-CD2 3.76Å; E148-L152 HydrophobicContact CG-CG 4.32Å; Y149-L152 WeakPolarHBondContact O-CD2 3.29Å
153	L	91.6	Very high	94.3	Very high	34 Å²	34	42.5 Å²	42.5	18%	0.178	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	144.5	-173.2	-61.7	177	0	0	0	112.2	T68 G69 G70 P151 M158 D162	T68-L153 PolarHBondContact O-N 3.26Å; G69-L153 WeakPolarHBondContact CA-O 3.42Å; G70-L153 PolarHBondContact N-O 3.36Å; P151-L153 HydrophobicContact CG-CD2 4.2Å; L153-M158 HydrophobicContact CB-CG 4.15Å; L153-M158 HydrophobicContact CD1-CG 3.87Å; L153-D162 HydrophobicContact CD1-CB 4.49Å
154	D	91.1	Very high	94.5	Very high	55 Å²	55	42.9 Å²	42.9	29%	0.294	25%	0.248	S	C	.	.			trans	-70.3	133.7	150.4	-172.1	-51.1	0	0	0	107.8	M74 S156 N157	M74-D154 HydrophobicContact CE-CB 4.42Å; D154-S156 PolarHBondContact O-N 2.88Å; D154-S156 VanDerWaalsContact O-N 3.11Å; D154-S156 WeakPolarHBondContact OD1-CB 3.33Å; D154-S156 PolarHBondContact OD1-N 3.44Å; D154-S156 PolarHBondContact OD1-OG 3.01Å; D154-N157 PolarHBondContact O-N 3.26Å
155	S	94.4	Very high	94.5	Very high	1 Å²	1	48 Å²	48	1%	0.007	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-59.6	-24.5	-176.9	55.2	0	0	0	0	113.5	N157 M158 G185 D187 T188	S155-N157 PolarHBondContact O-N 3.35Å; S155-M158 WeakPolarHBondContact O-CB 3.21Å; S155-M158 PolarHBondContact O-N 2.86Å; S155-G185 VanDerWaalsContact OG-C 3.25Å; S155-G185 WeakPolarHBondContact OG-CA 3.49Å; S155-G185 PolarHBondContact OG-O 3.04Å; S155-D187 PolarHBondContact OG-N 3.32Å; S155-T188 VanDerWaalsContact CB-OG1 3.3Å; S155-T188 WeakPolarHBondContact CB-OG1 3.3Å; S155-T188 VanDerWaalsContact O-CG2 3.3Å; S155-T188 WeakPolarHBondContact O-CG2 3.39Å; S155-T188 PolarHBondContact O-OG1 3.37Å
156	S	93.4	Very high	94.6	Very high	74 Å²	74	47.5 Å²	47.5	52%	0.517	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-66	-19.6	174.9	-59.4	0	0	0	0	113.4	D154	D154-S156 PolarHBondContact O-N 2.88Å; D154-S156 VanDerWaalsContact O-N 3.11Å; D154-S156 WeakPolarHBondContact OD1-CB 3.33Å; D154-S156 PolarHBondContact OD1-N 3.44Å; D154-S156 PolarHBondContact OD1-OG 3.01Å
157	N	93.4	Very high	94.7	Very high	116 Å²	116	47.3 Å²	47.3	62%	0.62	26%	0.263	S	S	*	.	G	3₁₀ helix	trans	-97.7	3	177.4	-64.6	-52.3	0	0	0	113.2	D154 S155	D154-N157 PolarHBondContact O-N 3.26Å; S155-N157 PolarHBondContact O-N 3.35Å
158	M	94.4	Very high	94.8	Very high	21 Å²	21	48.6 Å²	48.6	10%	0.103	27%	0.267	C	S	.	.			trans	-78.9	144.5	-178	-70.6	-175.7	67	0	0	112.4	L153 S155 D162 I166 H184	L153-M158 HydrophobicContact CB-CG 4.15Å; L153-M158 HydrophobicContact CD1-CG 3.87Å; S155-M158 WeakPolarHBondContact O-CB 3.21Å; S155-M158 PolarHBondContact O-N 2.86Å; M158-D162 HydrophobicContact CE-CB 3.95Å; M158-I166 HydrophobicContact CE-CD1 3.86Å; M158-H184 VanDerWaalsContact CE-NE2 3.26Å; M158-H184 WeakPolarHBondContact CE-NE2 3.33Å; M158-H184 VanDerWaalsContact SD-CE1 3.56Å; M158-H184 PolarHBondContact SD-NE2 3.17Å
159	T	93.8	Very high	94.9	Very high	61 Å²	61	48.4 Å²	48.4	37%	0.374	27%	0.267	S	S	.	.			trans	-126.1	176.7	-177.2	70.1	0	0	0	0	111.4	D161 D162 W163	T159-D161 PolarHBondContact O-N 3.35Å; T159-D161 PolarHBondContact OG1-N 3Å; T159-D162 PolarHBondContact N-OD2 3.26Å; T159-D162 PolarHBondContact O-N 2.98Å; T159-D162 PolarHBondContact OG1-OD2 3.3Å; T159-W163 PolarHBondContact O-N 3.31Å
160	T	93.2	Very high	95	Very high	25 Å²	25	47.9 Å²	47.9	15%	0.153	26%	0.264	C	S	.	.	H	α-helix	trans	-58.9	-28.2	174.7	61.2	0	0	0	0	113	W163 G164 L304 R306	T160-W163 HydrophobicContact CG2-CE3 4.06Å; T160-W163 HydrophobicContact CG2-CZ3 3.93Å; T160-W163 PolarHBondContact O-N 3.19Å; T160-G164 PolarHBondContact O-N 3.37Å; T160-L304 HydrophobicContact CG2-CB 4.32Å; T160-L304 HydrophobicContact CG2-CD1 4.32Å; T160-R306 HydrophobicContact CG2-CG 4.49Å; T160-R306 PolarHBondContact OG1-NE 2.9Å; T160-R306 PolarHBondContact OG1-NH2 3.08Å
161	D	94.5	Very high	95.3	Very high	105 Å²	105	46.5 Å²	46.5	56%	0.561	25%	0.247	S	C	*	.	H	α-helix	trans	-72.9	-37.1	-179.1	-62.3	-10.8	0	0	0	110.7	T159 W163 G164 R165 R306	T159-D161 PolarHBondContact O-N 3.35Å; T159-D161 PolarHBondContact OG1-N 3Å; D161-W163 VanDerWaalsContact C-N 3.34Å; D161-G164 CarbonylContact O-C 3.56Å; D161-G164 WeakPolarHBondContact O-CA 3.49Å; D161-G164 PolarHBondContact O-N 2.88Å; D161-R165 PolarHBondContact O-N 3.46Å; D161-R306 IonicContact OD1-CZ 3.36Å; D161-R306 IonicContact OD1-NH2 3.77Å; D161-R306 PolarHBondContact OD1-NH2 3.14Å; D161-R306 IonicContact OD2-CZ 3.88Å; D161-R306 IonicContact OD2-NH2 3.09Å; D161-R306 PolarHBondContact OD2-NH2 2.79Å
162	D	96.5	Very high	95.5	Very high	34 Å²	34	49.7 Å²	49.7	18%	0.182	25%	0.252	C	S	.	.	H	α-helix	trans	-65	-41.1	175.3	-56	-66.4	0	0	0	110.7	L153 M158 T159 G164 R165 I166	L153-D162 HydrophobicContact CD1-CB 4.49Å; M158-D162 HydrophobicContact CE-CB 3.95Å; T159-D162 PolarHBondContact N-OD2 3.26Å; T159-D162 PolarHBondContact O-N 2.98Å; T159-D162 PolarHBondContact OG1-OD2 3.3Å; D162-G164 VanDerWaalsContact C-N 3.32Å; D162-G164 PolarHBondContact O-N 3.34Å; D162-R165 WeakPolarHBondContact O-CB 3.45Å; D162-R165 PolarHBondContact O-N 3.38Å; D162-I166 WeakPolarHBondContact O-CG1 3.49Å; D162-I166 PolarHBondContact O-N 2.94Å
163	W	97	Very high	95.6	Very high	33 Å²	33	50 Å²	50	13%	0.125	25%	0.253	C	S	.	.	H	α-helix	trans	-61.6	-41.7	172	-54.5	-22.5	0	0	0	111.6	T159 T160 D161 R165 I166 G167 T192 A195 M199 L304	T159-W163 PolarHBondContact O-N 3.31Å; T160-W163 HydrophobicContact CG2-CE3 4.06Å; T160-W163 HydrophobicContact CG2-CZ3 3.93Å; T160-W163 PolarHBondContact O-N 3.19Å; D161-W163 VanDerWaalsContact C-N 3.34Å; W163-R165 VanDerWaalsContact C-N 3.34Å; W163-R165 PolarHBondContact O-N 2.85Å; W163-I166 PolarHBondContact O-N 2.97Å; W163-G167 PolarHBondContact O-N 2.96Å; W163-T192 HydrophobicContact CG-CG2 4.49Å; W163-T192 PolarHBondContact NE1-OG1 3.13Å; W163-A195 HydrophobicContact CD2-CB 3.78Å; W163-A195 HydrophobicContact CE3-CB 3.33Å; W163-A195 HydrophobicContact CG-CB 4.34Å; W163-A195 HydrophobicContact CH2-CB 4.45Å; W163-A195 HydrophobicContact CZ3-CB 3.72Å; W163-M199 HydrophobicContact CB-CE 4.37Å; W163-M199 HydrophobicContact CB-SD 3.98Å; W163-M199 WeakPolarHBondContact O-CE 3.49Å; W163-L304 HydrophobicContact CE3-CD1 3.9Å; W163-L304 HydrophobicContact CZ3-CD1 4.39Å
164	G	97.1	Very high	95.7	Very high	9 Å²	9	48.8 Å²	48.8	9%	0.093	25%	0.247	C	C	.	.	H	α-helix	trans	-54.7	-46.6	172	0	0	0	0	0	113.1	T160 D161 D162 G167 K168 M199	T160-G164 PolarHBondContact O-N 3.37Å; D161-G164 CarbonylContact O-C 3.56Å; D161-G164 WeakPolarHBondContact O-CA 3.49Å; D161-G164 PolarHBondContact O-N 2.88Å; D162-G164 VanDerWaalsContact C-N 3.32Å; D162-G164 PolarHBondContact O-N 3.34Å; G164-G167 PolarHBondContact O-N 3.36Å; G164-K168 PolarHBondContact O-N 2.9Å; G164-M199 VanDerWaalsContact CA-CE 3.45Å
165	R	97.7	Very high	95.7	Very high	108 Å²	108	49.8 Å²	49.8	41%	0.408	25%	0.25	S	C	.	.	H	α-helix	trans	-60.8	-48	176.9	-171.6	-174.4	173.6	168.7	1.9	111.7	Y149 S150 D161 D162 W163 G167 K168 D169	Y149-R165 HydrophobicContact CE2-CB 4.48Å; Y149-R165 HydrophobicContact CE2-CG 4Å; Y149-R165 PolarHBondContact OH-O 3.44Å; S150-R165 PolarHBondContact O-NH1 3.07Å; D161-R165 PolarHBondContact O-N 3.46Å; D162-R165 WeakPolarHBondContact O-CB 3.45Å; D162-R165 PolarHBondContact O-N 3.38Å; W163-R165 VanDerWaalsContact C-N 3.34Å; W163-R165 PolarHBondContact O-N 2.85Å; R165-G167 VanDerWaalsContact C-N 3.34Å; R165-G167 PolarHBondContact O-N 2.88Å; R165-K168 PolarHBondContact O-N 2.92Å; R165-D169 PolarHBondContact O-N 2.97Å
166	I	98.3	Very high	95.5	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-56.8	-49.8	176.5	-62.6	164.2	0	0	0	110.2	T68 Y149 M158 D162 W163 K168 D169 I170 I182 T192 L196	T68-I166 HydrophobicContact CG2-CD1 3.77Å; T68-I166 HydrophobicContact CG2-CG1 3.88Å; Y149-I166 HydrophobicContact CE2-CG1 3.94Å; Y149-I166 VanDerWaalsContact OH-CA 3.27Å; Y149-I166 WeakPolarHBondContact OH-CA 3.39Å; Y149-I166 PolarHBondContact OH-N 2.86Å; M158-I166 HydrophobicContact CE-CD1 3.86Å; D162-I166 WeakPolarHBondContact O-CG1 3.49Å; D162-I166 PolarHBondContact O-N 2.94Å; W163-I166 PolarHBondContact O-N 2.97Å; I166-K168 PolarHBondContact O-N 3.25Å; I166-D169 PolarHBondContact O-N 3.32Å; I166-I170 HydrophobicContact CG2-CD1 3.89Å; I166-I170 VanDerWaalsContact O-CG1 3.31Å; I166-I170 WeakPolarHBondContact O-CG1 3.47Å; I166-I170 PolarHBondContact O-N 3.5Å; I166-I182 HydrophobicContact CG2-CD1 3.95Å; I166-I182 HydrophobicContact CG2-CG1 4.41Å; I166-I182 HydrophobicContact CG2-CG2 4.43Å; I166-T192 HydrophobicContact CD1-CG2 4.19Å; I166-L196 HydrophobicContact CB-CD2 4.28Å; I166-L196 HydrophobicContact CG2-CD1 3.86Å; I166-L196 HydrophobicContact CG2-CD2 4.09Å
167	G	97.6	Very high	95.5	Very high	0 Å²	0	51 Å²	51	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-57.2	-46.1	177.7	0	0	0	0	0	112.6	W163 G164 R165 D169 I170 E171 V300	W163-G167 PolarHBondContact O-N 2.96Å; G164-G167 PolarHBondContact O-N 3.36Å; R165-G167 VanDerWaalsContact C-N 3.34Å; R165-G167 PolarHBondContact O-N 2.88Å; G167-D169 PolarHBondContact O-N 3Å; G167-I170 WeakPolarHBondContact O-CB 3.24Å; G167-I170 PolarHBondContact O-N 3.33Å; G167-E171 PolarHBondContact O-N 3.07Å; G167-V300 WeakPolarHBondContact O-CG2 3.39Å
168	K	97.9	Very high	95.4	Very high	84 Å²	84	47.1 Å²	47.1	37%	0.365	23%	0.229	S	C	.	.	H	α-helix	trans	-66.4	-35.8	178.9	-72.6	-50	-166.1	-169.1	0	113.6	G164 R165 I166 I170 E171 K172 V300 T302	G164-K168 PolarHBondContact O-N 2.9Å; R165-K168 PolarHBondContact O-N 2.92Å; I166-K168 PolarHBondContact O-N 3.25Å; K168-I170 VanDerWaalsContact C-N 3.34Å; K168-E171 VanDerWaalsContact CD-OE2 3.23Å; K168-E171 WeakPolarHBondContact CD-OE2 3.11Å; K168-E171 IonicContact NZ-OE1 3.88Å; K168-E171 IonicContact NZ-OE2 3.81Å; K168-E171 PolarHBondContact NZ-OE2 2.95Å; K168-E171 PolarHBondContact O-N 2.89Å; K168-K172 WeakPolarHBondContact O-CB 3.37Å; K168-K172 PolarHBondContact O-N 2.75Å; K168-V300 PolarHBondContact NZ-O 2.83Å; K168-T302 HydrophobicContact CD-CG2 3.89Å; K168-T302 HydrophobicContact CG-CG2 3.72Å
169	D	97.9	Very high	95.5	Very high	32 Å²	32	46.1 Å²	46.1	17%	0.171	22%	0.224	C	C	.	.	H	α-helix	trans	-68.6	-35.2	175	-76.2	-31.4	0	0	0	111.9	I66 L147 Y149 R165 I166 G167 N173	I66-D169 HydrophobicContact CD1-CB 4.06Å; L147-D169 HydrophobicContact CD2-CB 4.1Å; Y149-D169 WeakPolarHBondContact CE1-OD2 3.39Å; Y149-D169 PolarHBondContact OH-OD2 3.04Å; R165-D169 PolarHBondContact O-N 2.97Å; I166-D169 PolarHBondContact O-N 3.32Å; G167-D169 PolarHBondContact O-N 3Å; D169-N173 WeakPolarHBondContact O-CB 3.26Å; D169-N173 PolarHBondContact O-N 3.21Å; D169-N173 PolarHBondContact O-ND2 3.18Å
170	I	98.2	Very high	95.8	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-63.3	-49.7	170.6	-65.9	167	0	0	0	110.1	I66 I166 G167 K168 K172 N173 Y174 F180 I182 I207 F298	I66-I170 HydrophobicContact CD1-CG1 3.84Å; I166-I170 HydrophobicContact CG2-CD1 3.89Å; I166-I170 VanDerWaalsContact O-CG1 3.31Å; I166-I170 WeakPolarHBondContact O-CG1 3.47Å; I166-I170 PolarHBondContact O-N 3.5Å; G167-I170 WeakPolarHBondContact O-CB 3.24Å; G167-I170 PolarHBondContact O-N 3.33Å; K168-I170 VanDerWaalsContact C-N 3.34Å; I170-K172 PolarHBondContact O-N 3.44Å; I170-N173 CarbonylContact O-C 3.5Å; I170-N173 PolarHBondContact O-N 3.1Å; I170-N173 VanDerWaalsContact O-N 3.15Å; I170-Y174 HydrophobicContact CG2-CD2 4.11Å; I170-Y174 WeakPolarHBondContact O-CA 3.3Å; I170-Y174 WeakPolarHBondContact O-CB 3.37Å; I170-Y174 PolarHBondContact O-N 3.08Å; I170-F180 HydrophobicContact CB-CD1 4.44Å; I170-F180 HydrophobicContact CG1-CD1 4.04Å; I170-F180 HydrophobicContact CG1-CG 4.3Å; I170-F180 HydrophobicContact CG2-CD1 4.2Å; I170-F180 HydrophobicContact CG2-CD2 4.09Å; I170-F180 HydrophobicContact CG2-CE1 4.2Å; I170-F180 HydrophobicContact CG2-CE2 4.1Å; I170-F180 HydrophobicContact CG2-CG 4.18Å; I170-F180 HydrophobicContact CG2-CZ 4.18Å; I170-I182 HydrophobicContact CD1-CD1 4.13Å; I170-I207 HydrophobicContact CD1-CD1 3.96Å; I170-I207 HydrophobicContact CD1-CG1 4.35Å; I170-I207 HydrophobicContact CD1-CG2 4.1Å; I170-I207 HydrophobicContact CG2-CD1 4.11Å; I170-F298 HydrophobicContact CG2-CE1 4.19Å; I170-F298 HydrophobicContact CG2-CZ 4.04Å
171	E	96.8	Very high	96	Very high	67 Å²	67	42 Å²	42	31%	0.313	20%	0.199	S	C	.	.	H	α-helix	trans	-55.7	-48.1	178.5	-172.5	173.5	-120.1	0	0	112.2	G167 K168 N173 Y174 F298 V300	G167-E171 PolarHBondContact O-N 3.07Å; K168-E171 VanDerWaalsContact CD-OE2 3.23Å; K168-E171 WeakPolarHBondContact CD-OE2 3.11Å; K168-E171 IonicContact NZ-OE1 3.88Å; K168-E171 IonicContact NZ-OE2 3.81Å; K168-E171 PolarHBondContact NZ-OE2 2.95Å; K168-E171 PolarHBondContact O-N 2.89Å; E171-N173 VanDerWaalsContact C-N 3.26Å; E171-N173 PolarHBondContact O-N 3.15Å; E171-Y174 WeakPolarHBondContact O-CB 3.17Å; E171-Y174 PolarHBondContact O-N 3.34Å; E171-F298 HydrophobicContact CB-CE1 4.41Å; E171-V300 HydrophobicContact CB-CB 4.17Å; E171-V300 HydrophobicContact CB-CG2 3.8Å; E171-V300 HydrophobicContact CG-CG2 4.37Å; E171-V300 PolarHBondContact OE1-N 3.16Å
172	K	96.4	Very high	96.2	Very high	160 Å²	160	37 Å²	37	70%	0.696	17%	0.172	S	C	*	.	H	α-helix	trans	-60	-36.3	178.5	-179.9	-179.8	176.1	-176.3	0	112.8	K168 I170	K168-K172 WeakPolarHBondContact O-CB 3.37Å; K168-K172 PolarHBondContact O-N 2.75Å; I170-K172 PolarHBondContact O-N 3.44Å
173	N	95.4	Very high	96.3	Very high	30 Å²	30	35.4 Å²	35.4	16%	0.16	16%	0.163	C	C	.	.	H	α-helix	trans	-101.1	4.9	-175.2	-68.9	-72.5	0	0	0	113.1	L64 D169 I170 E171 E175 N176 F177 F180	L64-N173 HydrophobicContact CD2-CB 3.66Å; D169-N173 WeakPolarHBondContact O-CB 3.26Å; D169-N173 PolarHBondContact O-N 3.21Å; D169-N173 PolarHBondContact O-ND2 3.18Å; I170-N173 CarbonylContact O-C 3.5Å; I170-N173 PolarHBondContact O-N 3.1Å; I170-N173 VanDerWaalsContact O-N 3.15Å; E171-N173 VanDerWaalsContact C-N 3.26Å; E171-N173 PolarHBondContact O-N 3.15Å; N173-E175 VanDerWaalsContact C-N 3.29Å; N173-E175 PolarHBondContact O-N 3.07Å; N173-N176 PolarHBondContact O-N 2.86Å; N173-F177 HydrophobicContact CB-CD2 3.91Å; N173-F177 HydrophobicContact CB-CE2 4.1Å; N173-F177 PolarHBondContact O-N 2.8Å; N173-F180 HydrophobicContact CB-CE1 4.19Å
174	Y	95.1	Very high	96.4	Very high	9 Å²	9	33.9 Å²	33.9	4%	0.035	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-35.7	-169.8	-160.5	-103.1	0	0	0	113.4	I170 E171 F180 L203 G204 K205 F298	I170-Y174 HydrophobicContact CG2-CD2 4.11Å; I170-Y174 WeakPolarHBondContact O-CA 3.3Å; I170-Y174 WeakPolarHBondContact O-CB 3.37Å; I170-Y174 PolarHBondContact O-N 3.08Å; E171-Y174 WeakPolarHBondContact O-CB 3.17Å; E171-Y174 PolarHBondContact O-N 3.34Å; Y174-F180 AromaticContact CD2-CE2 3.74Å; Y174-F180 HydrophobicContact CD2-CE2 3.74Å; Y174-F180 HydrophobicContact CD2-CZ 4.1Å; Y174-F180 HydrophobicContact CE2-CE2 4.1Å; Y174-L203 HydrophobicContact CE2-CD1 3.8Å; Y174-G204 WeakPolarHBondContact OH-CA 3.12Å; Y174-G204 PolarHBondContact OH-N 2.98Å; Y174-K205 HydrophobicContact CD2-CD 4.47Å; Y174-K205 HydrophobicContact CE1-CD 4.09Å; Y174-K205 HydrophobicContact CE1-CG 4.35Å; Y174-K205 HydrophobicContact CE2-CB 4Å; Y174-K205 HydrophobicContact CE2-CD 4.04Å; Y174-K205 HydrophobicContact CE2-CG 4.21Å; Y174-K205 PolarHBondContact O-NZ 3.33Å; Y174-K205 PolarHBondContact OH-N 3.42Å; Y174-K205 VanDerWaalsContact OH-N 3.09Å; Y174-F298 HydrophobicContact CD1-CB 4.06Å; Y174-F298 AromaticContact CD1-CD1 3.6Å; Y174-F298 HydrophobicContact CD1-CD1 3.6Å; Y174-F298 HydrophobicContact CD1-CE1 4.38Å; Y174-F298 HydrophobicContact CD1-CG 4.03Å; Y174-F298 AromaticContact CD2-CD1 3.4Å; Y174-F298 HydrophobicContact CD2-CD1 3.4Å; Y174-F298 AromaticContact CD2-CE1 3.33Å; Y174-F298 HydrophobicContact CD2-CE1 3.33Å; Y174-F298 HydrophobicContact CD2-CG 4.09Å; Y174-F298 HydrophobicContact CD2-CZ 4Å; Y174-F298 HydrophobicContact CE1-CB 3.63Å; Y174-F298 AromaticContact CE1-CD1 3.81Å; Y174-F298 HydrophobicContact CE1-CD1 3.81Å; Y174-F298 AromaticContact CE1-CG 3.76Å; Y174-F298 HydrophobicContact CE1-CG 3.76Å; Y174-F298 AromaticContact CE2-CD1 3.62Å; Y174-F298 HydrophobicContact CE2-CD1 3.62Å; Y174-F298 HydrophobicContact CE2-CD2 4.12Å; Y174-F298 AromaticContact CE2-CE1 3.7Å; Y174-F298 HydrophobicContact CE2-CE1 3.7Å; Y174-F298 HydrophobicContact CE2-CE2 4.2Å; Y174-F298 AromaticContact CE2-CG 3.82Å; Y174-F298 HydrophobicContact CE2-CG 3.82Å; Y174-F298 AromaticContact CE2-CZ 4Å; Y174-F298 HydrophobicContact CE2-CZ 4Å; Y174-F298 AromaticContact CG-CD1 3.36Å; Y174-F298 HydrophobicContact CG-CD1 3.36Å; Y174-F298 AromaticContact CG-CE1 3.7Å; Y174-F298 HydrophobicContact CG-CE1 3.7Å; Y174-F298 HydrophobicContact CG-CG 4.17Å; Y174-F298 AromaticContact CZ-CD1 3.81Å; Y174-F298 AromaticContact CZ-CG 3.63Å
175	E	90.8	Very high	96.3	Very high	77 Å²	77	33.5 Å²	33.5	36%	0.36	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-18.3	179.7	-60.2	-170.7	-176.4	0	0	113.3	N173 K297 H562	N173-E175 VanDerWaalsContact C-N 3.29Å; N173-E175 PolarHBondContact O-N 3.07Å; E175-K297 IonicContact OE1-NZ 3.04Å; E175-K297 PolarHBondContact OE1-NZ 2.7Å; E175-H562 HydrophobicContact CG-CB 4.49Å; E175-H562 PolarHBondContact O-CD2 2.9Å
176	N	89.4	Confident	96.3	Very high	87 Å²	87	28.5 Å²	28.5	47%	0.465	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.3	-17.9	-171.7	-67.4	-33.9	0	0	0	114.5	R62 N173	R62-N176 PolarHBondContact NH1-O 3.4Å; N173-N176 PolarHBondContact O-N 2.86Å
177	F	93.3	Very high	96.2	Very high	12 Å²	12	32 Å²	32	5%	0.053	15%	0.154	C	C	.	.			trans	-129.7	149.3	-174.7	-65.3	-90.1	0	0	0	111.1	R62 V63 L64 N173 F180 K205	R62-F177 HydrophobicContact CB-CD1 4.02Å; V63-F177 VanDerWaalsContact C-CD1 3.47Å; L64-F177 HydrophobicContact CB-CB 4.24Å; L64-F177 HydrophobicContact CB-CD1 3.75Å; L64-F177 HydrophobicContact CB-CD2 3.84Å; L64-F177 HydrophobicContact CB-CE1 3.96Å; L64-F177 HydrophobicContact CB-CE2 4.05Å; L64-F177 HydrophobicContact CB-CG 3.67Å; L64-F177 HydrophobicContact CB-CZ 4.1Å; L64-F177 HydrophobicContact CD1-CE1 4.26Å; L64-F177 HydrophobicContact CD1-CE2 4.03Å; L64-F177 HydrophobicContact CD1-CZ 3.81Å; L64-F177 HydrophobicContact CD2-CD2 4.38Å; L64-F177 HydrophobicContact CD2-CE2 4.3Å; L64-F177 HydrophobicContact CG-CE2 4.36Å; L64-F177 HydrophobicContact CG-CZ 4.46Å; L64-F177 VanDerWaalsContact N-CD1 3.33Å; N173-F177 HydrophobicContact CB-CD2 3.91Å; N173-F177 HydrophobicContact CB-CE2 4.1Å; N173-F177 PolarHBondContact O-N 2.8Å; F177-F180 HydrophobicContact CB-CE1 4.34Å; F177-F180 HydrophobicContact CB-CZ 4.17Å; F177-K205 WeakPolarHBondContact O-CD 3.38Å; F177-K205 PolarHBondContact O-NZ 3.46Å
178	D	92.7	Very high	96.2	Very high	35 Å²	35	33.3 Å²	33.3	19%	0.187	16%	0.162	C	C	.	.	S	Bend	trans	-82.9	-25.3	-179.6	-62.9	-61.4	0	0	0	112.6	S61 R62 K533	S61-D178 WeakPolarHBondContact CA-OD2 3.41Å; S61-D178 WeakPolarHBondContact OG-CB 3.42Å; S61-D178 PolarHBondContact OG-OD2 3.32Å; R62-D178 PolarHBondContact N-OD2 3.13Å; R62-D178 PolarHBondContact O-N 2.87Å; D178-K533 IonicContact OD1-NZ 3.82Å; D178-K533 PolarHBondContact OD1-NZ 2.88Å; D178-K533 IonicContact OD2-NZ 3.35Å
179	G	96.6	Very high	96.2	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.6	168.5	178.5	0	0	0	0	0	112.4	V63 L64	V63-G179 WeakPolarHBondContact CA-O 3.26Å; L64-G179 PolarHBondContact N-O 2.92Å
180	F	98.8	Very high	96.3	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	137.3	-176.9	-58.7	-89.6	0	0	0	110.1	L64 I170 N173 Y174 F177 K205 P206 I207 V208	L64-F180 HydrophobicContact CB-CD1 3.83Å; L64-F180 HydrophobicContact CB-CE1 3.98Å; L64-F180 HydrophobicContact CD2-CD1 4.02Å; L64-F180 HydrophobicContact CD2-CE1 3.89Å; L64-F180 HydrophobicContact CG-CD1 4.38Å; L64-F180 CarbonylContact O-C 3.56Å; L64-F180 WeakPolarHBondContact O-CA 3.36Å; I170-F180 HydrophobicContact CB-CD1 4.44Å; I170-F180 HydrophobicContact CG1-CD1 4.04Å; I170-F180 HydrophobicContact CG1-CG 4.3Å; I170-F180 HydrophobicContact CG2-CD1 4.2Å; I170-F180 HydrophobicContact CG2-CD2 4.09Å; I170-F180 HydrophobicContact CG2-CE1 4.2Å; I170-F180 HydrophobicContact CG2-CE2 4.1Å; I170-F180 HydrophobicContact CG2-CG 4.18Å; I170-F180 HydrophobicContact CG2-CZ 4.18Å; N173-F180 HydrophobicContact CB-CE1 4.19Å; Y174-F180 AromaticContact CD2-CE2 3.74Å; Y174-F180 HydrophobicContact CD2-CE2 3.74Å; Y174-F180 HydrophobicContact CD2-CZ 4.1Å; Y174-F180 HydrophobicContact CE2-CE2 4.1Å; F177-F180 HydrophobicContact CB-CE1 4.34Å; F177-F180 HydrophobicContact CB-CZ 4.17Å; F180-K205 HydrophobicContact CE2-CD 4.43Å; F180-P206 PolarHBondContact N-O 2.83Å; F180-I207 HydrophobicContact CB-CB 4.48Å; F180-I207 HydrophobicContact CB-CG1 4.15Å; F180-I207 HydrophobicContact CB-CG2 4.44Å; F180-I207 HydrophobicContact CD2-CG1 4.16Å; F180-I207 HydrophobicContact CG-CG1 4.45Å; F180-I207 CarbonylContact O-C 3.5Å; F180-I207 WeakPolarHBondContact O-CA 3.34Å; F180-V208 PolarHBondContact O-N 3.14Å
181	V	98.8	Very high	96.3	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	130.9	169.1	173.5	0	0	0	0	108	V63 L64 V65 I66 L183 V208 T210 L227 A230 L231 A234	V63-V181 HydrophobicContact CG1-CB 4.38Å; V63-V181 HydrophobicContact CG1-CG2 3.77Å; L64-V181 PolarHBondContact O-N 3.5Å; V65-V181 CarbonylContact C-O 3.57Å; V65-V181 VanDerWaalsContact CA-O 3.24Å; V65-V181 WeakPolarHBondContact CA-O 3.07Å; V65-V181 HydrophobicContact CG1-CG1 4.46Å; V65-V181 HydrophobicContact CG2-CB 4.23Å; I66-V181 PolarHBondContact N-O 3.27Å; V181-L183 HydrophobicContact CG1-CD2 4.34Å; V181-V208 CarbonylContact C-O 3.55Å; V181-V208 VanDerWaalsContact CA-O 3.25Å; V181-V208 WeakPolarHBondContact CA-O 3.4Å; V181-V208 HydrophobicContact CG2-CB 4.47Å; V181-T210 HydrophobicContact CG1-CG2 3.78Å; V181-L227 HydrophobicContact CG1-CD1 4.32Å; V181-A230 HydrophobicContact CG1-CB 4.03Å; V181-A230 HydrophobicContact CG2-CB 4.14Å; V181-L231 HydrophobicContact CG2-CD2 4.18Å; V181-A234 HydrophobicContact CG2-CB 3.79Å
182	I	98.8	Very high	96.3	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	113	178.2	-44.8	-59.1	0	0	0	107.8	I66 T68 I166 I170 I207 V208 L209 T210	I66-I182 HydrophobicContact CB-CD1 3.76Å; I66-I182 HydrophobicContact CD1-CD1 3.8Å; I66-I182 HydrophobicContact CG1-CD1 3.94Å; I66-I182 WeakPolarHBondContact O-CA 3.38Å; T68-I182 HydrophobicContact CG2-CG2 4.03Å; I166-I182 HydrophobicContact CG2-CD1 3.95Å; I166-I182 HydrophobicContact CG2-CG1 4.41Å; I166-I182 HydrophobicContact CG2-CG2 4.43Å; I170-I182 HydrophobicContact CD1-CD1 4.13Å; I182-I207 HydrophobicContact CD1-CG2 4.48Å; I182-I207 HydrophobicContact CG1-CG2 3.99Å; I182-V208 PolarHBondContact N-O 3.11Å; I182-L209 HydrophobicContact CB-CG 4.16Å; I182-L209 HydrophobicContact CG1-CG 4.46Å; I182-L209 WeakPolarHBondContact O-CA 3.33Å; I182-T210 PolarHBondContact O-N 3.15Å
183	L	98.4	Very high	96.4	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	120.2	170.9	-58.1	-177	0	0	0	108.6	V65 I66 N67 T68 I72 L88 V181 T210 L227	V65-L183 HydrophobicContact CG1-CD1 3.94Å; V65-L183 HydrophobicContact CG1-CD2 4.44Å; V65-L183 HydrophobicContact CG1-CG 3.78Å; I66-L183 PolarHBondContact O-N 3.14Å; N67-L183 HydrophobicContact CB-CD1 4.23Å; T68-L183 PolarHBondContact N-O 3.12Å; T68-L183 VanDerWaalsContact N-O 3.09Å; T68-L183 PolarHBondContact OG1-O 2.85Å; I72-L183 HydrophobicContact CD1-CD2 3.99Å; I72-L183 HydrophobicContact CG2-CB 4.18Å; I72-L183 HydrophobicContact CG2-CD1 4.44Å; L88-L183 HydrophobicContact CD2-CD1 3.44Å; L88-L183 VanDerWaalsContact CD2-CD1 3.44Å; V181-L183 HydrophobicContact CG1-CD2 4.34Å; L183-T210 WeakPolarHBondContact CA-O 3.44Å; L183-T210 HydrophobicContact CD2-CG2 3.63Å; L183-L227 HydrophobicContact CD2-CD1 3.86Å
184	H	98.1	Very high	96.6	Very high	1 Å²	1	19.2 Å²	19.2	1%	0.005	10%	0.096	C	C	.	.			trans	-141.1	152.3	-170	-162.3	-79.3	0	0	0	110.9	M158 M189 T192 T210	M158-H184 VanDerWaalsContact CE-NE2 3.26Å; M158-H184 WeakPolarHBondContact CE-NE2 3.33Å; M158-H184 VanDerWaalsContact SD-CE1 3.56Å; M158-H184 PolarHBondContact SD-NE2 3.17Å; H184-M189 HydrophobicContact CB-CE 4.16Å; H184-M189 HydrophobicContact CB-CG 4.37Å; H184-M189 WeakPolarHBondContact O-CE 3.47Å; H184-T192 PolarHBondContact CE1-OG1 3.36Å; H184-T192 WeakPolarHBondContact NE2-CB 3.48Å; H184-T192 PolarHBondContact NE2-OG1 3.32Å; H184-T210 PolarHBondContact N-O 3.47Å
185	G	96.6	Very high	96.7	Very high	1 Å²	1	18.8 Å²	18.8	1%	0.01	10%	0.095	C	C	.	.			trans	-69.3	148.8	171.4	0	0	0	0	0	111.9	G70 S155 D187 M189	G70-G185 VanDerWaalsContact CA-CA 3.45Å; S155-G185 VanDerWaalsContact OG-C 3.25Å; S155-G185 WeakPolarHBondContact OG-CA 3.49Å; S155-G185 PolarHBondContact OG-O 3.04Å; G185-D187 VanDerWaalsContact C-N 3.34Å; G185-D187 PolarHBondContact O-N 3.45Å; G185-M189 WeakPolarHBondContact O-CB 3.42Å
186	T	97	Very high	97.1	Very high	3 Å²	3	15.1 Å²	15.1	2%	0.018	8%	0.078	C	C	.	.	S	Bend	trans	-75.4	-21.5	-170.9	59.4	0	0	0	0	113.4	T188 M189 S212 Q213 F246 K258 F267	T186-T188 PolarHBondContact O-N 2.97Å; T186-M189 HydrophobicContact CG2-CE 4.18Å; T186-S212 WeakPolarHBondContact CG2-O 3.38Å; T186-Q213 PolarHBondContact OG1-OE1 3.01Å; T186-F246 HydrophobicContact CG2-CE2 4.02Å; T186-F246 HydrophobicContact CG2-CZ 3.94Å; T186-K258 WeakPolarHBondContact O-CD 3.48Å; T186-K258 PolarHBondContact OG1-NZ 3.38Å; T186-F267 HydrophobicContact CG2-CE2 4.15Å; T186-F267 HydrophobicContact CG2-CZ 4.41Å; T186-F267 WeakPolarHBondContact O-CZ 3.34Å
187	D	96.1	Very high	97.5	Very high	74 Å²	74	11.5 Å²	11.5	40%	0.396	6%	0.059	S	C	.	.	S	Bend	trans	-67.9	-40.3	-170.4	-61	-32.1	0	0	0	113.6	S155 G185 K258	S155-D187 PolarHBondContact OG-N 3.32Å; G185-D187 VanDerWaalsContact C-N 3.34Å; G185-D187 PolarHBondContact O-N 3.45Å; D187-K258 IonicContact OD1-NZ 3.51Å; D187-K258 PolarHBondContact OD1-NZ 3.02Å
188	T	97.6	Very high	97.7	Very high	28 Å²	28	10.9 Å²	10.9	17%	0.172	6%	0.056	C	C	.	.	S	Bend	trans	-116.5	13.5	179.1	66.9	0	0	0	0	113.1	S155 T186 A190 Y191 T192	S155-T188 VanDerWaalsContact CB-OG1 3.3Å; S155-T188 WeakPolarHBondContact CB-OG1 3.3Å; S155-T188 VanDerWaalsContact O-CG2 3.3Å; S155-T188 WeakPolarHBondContact O-CG2 3.39Å; S155-T188 PolarHBondContact O-OG1 3.37Å; T186-T188 PolarHBondContact O-N 2.97Å; T188-A190 VanDerWaalsContact C-N 3.27Å; T188-A190 PolarHBondContact O-N 3.25Å; T188-Y191 WeakPolarHBondContact O-CB 3.41Å; T188-Y191 PolarHBondContact O-N 3.34Å; T188-T192 PolarHBondContact O-N 2.98Å; T188-T192 PolarHBondContact O-OG1 2.91Å
189	M	98.3	Very high	97.9	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-56.9	-38.3	-177.2	-162	-177.4	-74	0	0	113	H184 G185 T186 T192 A193 L209 T210 L244 F267	H184-M189 HydrophobicContact CB-CE 4.16Å; H184-M189 HydrophobicContact CB-CG 4.37Å; H184-M189 WeakPolarHBondContact O-CE 3.47Å; G185-M189 WeakPolarHBondContact O-CB 3.42Å; T186-M189 HydrophobicContact CG2-CE 4.18Å; M189-T192 PolarHBondContact O-N 3.46Å; M189-A193 VanDerWaalsContact O-CB 3.27Å; M189-A193 WeakPolarHBondContact O-CB 3.44Å; M189-A193 PolarHBondContact O-N 3.31Å; M189-L209 HydrophobicContact CG-CB 4.14Å; M189-L209 HydrophobicContact CG-CD2 4.07Å; M189-L209 HydrophobicContact SD-CB 4.33Å; M189-T210 VanDerWaalsContact CE-C 3.49Å; M189-T210 WeakPolarHBondContact CE-O 3.41Å; M189-L244 HydrophobicContact CB-CD1 4.24Å; M189-L244 HydrophobicContact CG-CD1 3.69Å; M189-L244 HydrophobicContact CG-CG 4.43Å; M189-L244 HydrophobicContact SD-CD1 3.5Å; M189-L244 VanDerWaalsContact SD-CD1 3.5Å; M189-L244 HydrophobicContact SD-CD2 4.38Å; M189-L244 HydrophobicContact SD-CG 3.74Å; M189-F267 HydrophobicContact CB-CE1 4.15Å; M189-F267 HydrophobicContact CB-CZ 3.78Å; M189-F267 HydrophobicContact CE-CZ 4.49Å; M189-F267 HydrophobicContact CG-CZ 4.42Å; M189-F267 HydrophobicContact SD-CE2 4.04Å; M189-F267 HydrophobicContact SD-CZ 3.93Å
190	A	98.4	Very high	97.9	Very high	4 Å²	4	9.4 Å²	9.4	3%	0.033	5%	0.048	C	C	.	.	H	α-helix	trans	-64.6	-38.2	177.1	0	0	0	0	0	112.7	T188 S194 V256 E399	T188-A190 VanDerWaalsContact C-N 3.27Å; T188-A190 PolarHBondContact O-N 3.25Å; A190-S194 VanDerWaalsContact O-CB 3.29Å; A190-S194 WeakPolarHBondContact O-CB 3.36Å; A190-S194 PolarHBondContact O-N 2.95Å; A190-S194 PolarHBondContact O-OG 3Å; A190-V256 WeakPolarHBondContact CB-O 3.47Å; A190-E399 HydrophobicContact CB-CB 4.49Å; A190-E399 HydrophobicContact CB-CG 3.97Å
191	Y	98.3	Very high	97.7	Very high	72 Å²	72	10 Å²	10	28%	0.282	5%	0.051	S	C	.	.	H	α-helix	trans	-65.8	-48.4	173.5	-69.9	-84	0	0	0	111.1	T188 A193 S194 A195 E399 L402	T188-Y191 WeakPolarHBondContact O-CB 3.41Å; T188-Y191 PolarHBondContact O-N 3.34Å; Y191-A193 PolarHBondContact O-N 3.04Å; Y191-S194 PolarHBondContact O-N 3.13Å; Y191-A195 WeakPolarHBondContact O-CB 3.37Å; Y191-A195 PolarHBondContact O-N 2.99Å; Y191-E399 HydrophobicContact CD1-CB 3.85Å; Y191-E399 HydrophobicContact CD1-CG 3.84Å; Y191-E399 HydrophobicContact CD2-CG 3.88Å; Y191-E399 HydrophobicContact CE1-CB 4Å; Y191-E399 HydrophobicContact CE1-CG 3.69Å; Y191-E399 HydrophobicContact CE2-CG 3.72Å; Y191-E399 HydrophobicContact CG-CB 4.18Å; Y191-E399 HydrophobicContact CG-CG 3.94Å; Y191-L402 HydrophobicContact CD1-CD2 4.42Å; Y191-L402 HydrophobicContact CE1-CD2 3.96Å
192	T	98.4	Very high	97.4	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-62.2	-42.9	178.4	-55	0	0	0	0	111.7	W163 I166 H184 T188 M189 S194 A195 L196 L209	W163-T192 HydrophobicContact CG-CG2 4.49Å; W163-T192 PolarHBondContact NE1-OG1 3.13Å; I166-T192 HydrophobicContact CD1-CG2 4.19Å; H184-T192 PolarHBondContact CE1-OG1 3.36Å; H184-T192 WeakPolarHBondContact NE2-CB 3.48Å; H184-T192 PolarHBondContact NE2-OG1 3.32Å; T188-T192 PolarHBondContact O-N 2.98Å; T188-T192 PolarHBondContact O-OG1 2.91Å; M189-T192 PolarHBondContact O-N 3.46Å; T192-S194 VanDerWaalsContact C-N 3.32Å; T192-S194 PolarHBondContact O-N 3.38Å; T192-A195 PolarHBondContact O-N 3.25Å; T192-L196 HydrophobicContact CG2-CD1 3.9Å; T192-L196 HydrophobicContact CG2-CG 4.25Å; T192-L196 WeakPolarHBondContact O-CB 3.35Å; T192-L196 WeakPolarHBondContact O-CG 3.33Å; T192-L196 PolarHBondContact O-N 3.14Å; T192-L209 HydrophobicContact CG2-CD2 3.9Å
193	A	98.6	Very high	97.1	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-62	-41.4	176.8	0	0	0	0	0	111.7	M189 Y191 S197 L209 V242	M189-A193 VanDerWaalsContact O-CB 3.27Å; M189-A193 WeakPolarHBondContact O-CB 3.44Å; M189-A193 PolarHBondContact O-N 3.31Å; Y191-A193 PolarHBondContact O-N 3.04Å; A193-S197 WeakPolarHBondContact O-CB 3.35Å; A193-S197 PolarHBondContact O-N 3.07Å; A193-S197 VanDerWaalsContact O-N 3.09Å; A193-L209 HydrophobicContact CB-CD1 3.91Å; A193-L209 HydrophobicContact CB-CD2 3.95Å; A193-L209 HydrophobicContact CB-CG 4.46Å; A193-V242 HydrophobicContact CB-CG1 4.44Å; A193-V242 WeakPolarHBondContact O-CG1 3.36Å
194	S	98.6	Very high	96.8	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-65.5	-48.8	176	-63.8	0	0	0	0	112	A190 Y191 T192 S197 F198 S403	A190-S194 VanDerWaalsContact O-CB 3.29Å; A190-S194 WeakPolarHBondContact O-CB 3.36Å; A190-S194 PolarHBondContact O-N 2.95Å; A190-S194 PolarHBondContact O-OG 3Å; Y191-S194 PolarHBondContact O-N 3.13Å; T192-S194 VanDerWaalsContact C-N 3.32Å; T192-S194 PolarHBondContact O-N 3.38Å; S194-S197 WeakPolarHBondContact O-CB 3.25Å; S194-S197 PolarHBondContact O-N 3.46Å; S194-F198 WeakPolarHBondContact O-CD2 3.17Å; S194-F198 PolarHBondContact O-N 3.45Å; S194-S403 VanDerWaalsContact CB-OG 3.29Å; S194-S403 WeakPolarHBondContact CB-OG 3.45Å
195	A	98.1	Very high	96.6	Very high	1 Å²	1	14.1 Å²	14.1	1%	0.008	7%	0.073	C	C	.	.	H	α-helix	trans	-60.3	-51.4	179	0	0	0	0	0	111.6	W163 Y191 T192 S197 F198 M199 L304 S403	W163-A195 HydrophobicContact CD2-CB 3.78Å; W163-A195 HydrophobicContact CE3-CB 3.33Å; W163-A195 HydrophobicContact CG-CB 4.34Å; W163-A195 HydrophobicContact CH2-CB 4.45Å; W163-A195 HydrophobicContact CZ3-CB 3.72Å; Y191-A195 WeakPolarHBondContact O-CB 3.37Å; Y191-A195 PolarHBondContact O-N 2.99Å; T192-A195 PolarHBondContact O-N 3.25Å; A195-S197 PolarHBondContact O-N 3.48Å; A195-F198 PolarHBondContact O-N 2.89Å; A195-F198 VanDerWaalsContact O-N 3.09Å; A195-M199 HydrophobicContact CB-SD 4.32Å; A195-M199 WeakPolarHBondContact O-CG 3.4Å; A195-M199 PolarHBondContact O-N 3.44Å; A195-L304 HydrophobicContact CB-CD1 4.4Å; A195-S403 PolarHBondContact N-OG 3.07Å
196	L	98.5	Very high	96.6	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-59.8	-34.7	178	-71.3	177.2	0	0	0	112	I166 T192 F198 M199 C200 V242	I166-L196 HydrophobicContact CB-CD2 4.28Å; I166-L196 HydrophobicContact CG2-CD1 3.86Å; I166-L196 HydrophobicContact CG2-CD2 4.09Å; T192-L196 HydrophobicContact CG2-CD1 3.9Å; T192-L196 HydrophobicContact CG2-CG 4.25Å; T192-L196 WeakPolarHBondContact O-CB 3.35Å; T192-L196 WeakPolarHBondContact O-CG 3.33Å; T192-L196 PolarHBondContact O-N 3.14Å; L196-F198 VanDerWaalsContact C-N 3.29Å; L196-F198 PolarHBondContact O-N 3.38Å; L196-M199 HydrophobicContact CD2-SD 4.28Å; L196-M199 PolarHBondContact O-N 3.03Å; L196-C200 WeakPolarHBondContact O-CB 3.45Å; L196-C200 PolarHBondContact O-N 3.21Å; L196-C200 PolarHBondContact O-SG 3.43Å; L196-C200 VanDerWaalsContact O-SG 3.34Å; L196-V242 HydrophobicContact CB-CG1 4.07Å; L196-V242 HydrophobicContact CB-CG2 4.15Å
197	S	98.1	Very high	96.7	Very high	10 Å²	10	14 Å²	14	7%	0.07	7%	0.073	C	C	.	.	H	α-helix	trans	-59.7	-37.9	176.7	-175	0	0	0	0	112.9	A193 S194 A195 N254 R428	A193-S197 WeakPolarHBondContact O-CB 3.35Å; A193-S197 PolarHBondContact O-N 3.07Å; A193-S197 VanDerWaalsContact O-N 3.09Å; S194-S197 WeakPolarHBondContact O-CB 3.25Å; S194-S197 PolarHBondContact O-N 3.46Å; A195-S197 PolarHBondContact O-N 3.48Å; S197-N254 PolarHBondContact OG-ND2 2.96Å; S197-R428 VanDerWaalsContact O-CD 3.3Å; S197-R428 WeakPolarHBondContact O-CD 3.37Å; S197-R428 WeakPolarHBondContact O-CG 3.16Å; S197-R428 PolarHBondContact O-NE 3.45Å
198	F	97.6	Very high	96.8	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-81.3	-40.3	175.6	-65.7	-70.2	0	0	0	112.8	S194 A195 L196 K404 Y407 L427 R428 E430	S194-F198 WeakPolarHBondContact O-CD2 3.17Å; S194-F198 PolarHBondContact O-N 3.45Å; A195-F198 PolarHBondContact O-N 2.89Å; A195-F198 VanDerWaalsContact O-N 3.09Å; L196-F198 VanDerWaalsContact C-N 3.29Å; L196-F198 PolarHBondContact O-N 3.38Å; F198-K404 HydrophobicContact CD1-CG 4.39Å; F198-K404 HydrophobicContact CD2-CB 4.38Å; F198-K404 HydrophobicContact CE1-CB 3.93Å; F198-K404 HydrophobicContact CE1-CD 4.27Å; F198-K404 HydrophobicContact CE1-CG 3.7Å; F198-K404 HydrophobicContact CE2-CB 3.72Å; F198-K404 HydrophobicContact CE2-CG 4.41Å; F198-K404 HydrophobicContact CZ-CB 3.47Å; F198-K404 VanDerWaalsContact CZ-CB 3.47Å; F198-K404 HydrophobicContact CZ-CD 4.17Å; F198-K404 HydrophobicContact CZ-CG 3.72Å; F198-Y407 HydrophobicContact CB-CD1 4.12Å; F198-Y407 HydrophobicContact CB-CD2 3.96Å; F198-Y407 HydrophobicContact CB-CE2 4.48Å; F198-Y407 HydrophobicContact CB-CG 3.75Å; F198-Y407 HydrophobicContact CD1-CD1 4.25Å; F198-Y407 HydrophobicContact CG-CD1 4.45Å; F198-Y407 HydrophobicContact CG-CG 4.41Å; F198-Y407 WeakPolarHBondContact O-CE2 3.31Å; F198-L427 HydrophobicContact CD1-CD1 4.46Å; F198-L427 HydrophobicContact CE1-CB 4.15Å; F198-L427 HydrophobicContact CE1-CD1 4.27Å; F198-R428 HydrophobicContact CD1-CB 4.43Å; F198-R428 HydrophobicContact CD1-CG 3.69Å; F198-R428 HydrophobicContact CE1-CB 4.14Å; F198-R428 HydrophobicContact CE1-CG 3.85Å; F198-E430 HydrophobicContact CE1-CG 4.48Å; F198-E430 HydrophobicContact CZ-CB 4.14Å; F198-E430 HydrophobicContact CZ-CG 3.9Å
199	M	97.3	Very high	96.9	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-65	-39.1	-178.9	-67	169.1	72	0	0	113.1	W163 G164 A195 L196 E201 V300 R301 T302 L304	W163-M199 HydrophobicContact CB-CE 4.37Å; W163-M199 HydrophobicContact CB-SD 3.98Å; W163-M199 WeakPolarHBondContact O-CE 3.49Å; G164-M199 VanDerWaalsContact CA-CE 3.45Å; A195-M199 HydrophobicContact CB-SD 4.32Å; A195-M199 WeakPolarHBondContact O-CG 3.4Å; A195-M199 PolarHBondContact O-N 3.44Å; L196-M199 HydrophobicContact CD2-SD 4.28Å; L196-M199 PolarHBondContact O-N 3.03Å; M199-E201 PolarHBondContact O-N 3.48Å; M199-E201 VanDerWaalsContact O-N 3.16Å; M199-V300 WeakPolarHBondContact O-CA 3.38Å; M199-R301 WeakPolarHBondContact CB-O 3.41Å; M199-R301 WeakPolarHBondContact CG-O 3.43Å; M199-R301 PolarHBondContact O-N 2.97Å; M199-T302 HydrophobicContact CE-CG2 4.34Å; M199-L304 HydrophobicContact CG-CD1 4.25Å; M199-L304 HydrophobicContact CG-CD2 4.28Å; M199-L304 HydrophobicContact CG-CG 4.4Å; M199-L304 HydrophobicContact SD-CD1 3.89Å
200	C	96.7	Very high	96.9	Very high	3 Å²	3	9.1 Å²	9.1	2%	0.02	5%	0.046	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	81.7	-179.5	-67.3	0	0	0	0	110.1	L196 I207 F298	L196-C200 WeakPolarHBondContact O-CB 3.45Å; L196-C200 PolarHBondContact O-N 3.21Å; L196-C200 PolarHBondContact O-SG 3.43Å; L196-C200 VanDerWaalsContact O-SG 3.34Å; C200-I207 HydrophobicContact CB-CD1 4.29Å; C200-F298 HydrophobicContact CB-CE2 3.81Å; C200-F298 HydrophobicContact CB-CZ 4.24Å
201	E	94.3	Very high	96.9	Very high	13 Å²	13	9 Å²	9	6%	0.061	4%	0.044	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	141.2	-179.2	-51.1	-172	172.2	0	0	111	M199 L203 F298 Q299 Y407 K411	M199-E201 PolarHBondContact O-N 3.48Å; M199-E201 VanDerWaalsContact O-N 3.16Å; E201-L203 VanDerWaalsContact C-N 3.26Å; E201-L203 PolarHBondContact O-N 3.39Å; E201-F298 WeakPolarHBondContact O-CD2 3.33Å; E201-Q299 HydrophobicContact CB-CG 3.89Å; E201-Q299 PolarHBondContact N-O 2.74Å; E201-Q299 PolarHBondContact O-N 2.97Å; E201-Q299 VanDerWaalsContact O-N 3.14Å; E201-Q299 PolarHBondContact OE2-NE2 3.41Å; E201-Y407 VanDerWaalsContact CD-OH 3.32Å; E201-Y407 WeakPolarHBondContact OE1-CE2 3.17Å; E201-Y407 PolarHBondContact OE1-OH 2.96Å; E201-K411 IonicContact OE1-NZ 3.4Å; E201-K411 PolarHBondContact OE1-NZ 3.45Å
202	H	92	Very high	96.8	Very high	53 Å²	53	5.6 Å²	5.6	25%	0.245	3%	0.031	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.7	37.1	177.5	-42.7	-52.1	0	0	0	113.4	T294 A296	H202-T294 HydrophobicContact CB-CG2 4.06Å; H202-T294 WeakPolarHBondContact ND1-CG2 3.08Å; H202-A296 WeakPolarHBondContact CD2-CB 3.29Å; H202-A296 WeakPolarHBondContact NE2-CB 3.4Å
203	L	93.3	Very high	96.6	Very high	17 Å²	17	7.1 Å²	7.1	9%	0.089	4%	0.038	C	C	.	.			trans	-59	137.5	176.6	-172.9	63.6	0	0	0	111.1	Y174 E201 K205 I207 P240 V242 F298	Y174-L203 HydrophobicContact CE2-CD1 3.8Å; E201-L203 VanDerWaalsContact C-N 3.26Å; E201-L203 PolarHBondContact O-N 3.39Å; L203-K205 VanDerWaalsContact CD1-O 3.31Å; L203-K205 WeakPolarHBondContact CD1-O 3.26Å; L203-K205 VanDerWaalsContact CG-O 3.24Å; L203-K205 WeakPolarHBondContact CG-O 3.23Å; L203-I207 HydrophobicContact CD1-CD1 3.57Å; L203-I207 HydrophobicContact CD1-CG1 4.08Å; L203-I207 HydrophobicContact CD2-CD1 3.76Å; L203-I207 HydrophobicContact CD2-CG1 4.17Å; L203-I207 HydrophobicContact CG-CD1 4.35Å; L203-P240 WeakPolarHBondContact O-CB 3.38Å; L203-V242 HydrophobicContact CD2-CG2 4.05Å; L203-F298 HydrophobicContact CB-CD2 4.38Å; L203-F298 HydrophobicContact CB-CE2 4.33Å; L203-F298 HydrophobicContact CD1-CD2 4.05Å; L203-F298 HydrophobicContact CD1-CE2 3.64Å; L203-F298 HydrophobicContact CD1-CZ 4.27Å
204	G	90.6	Very high	96.5	Very high	10 Å²	10	9 Å²	9	10%	0.103	5%	0.049	C	C	.	.			trans	-129.6	-4.4	-178.5	0	0	0	0	0	114	Y174 V238	Y174-G204 WeakPolarHBondContact OH-CA 3.12Å; Y174-G204 PolarHBondContact OH-N 2.98Å; G204-V238 WeakPolarHBondContact O-CG1 3.34Å
205	K	94.3	Very high	96.3	Very high	7 Å²	7	9.2 Å²	9.2	3%	0.03	5%	0.051	C	C	.	.	S	Bend	trans	-129	153.9	-177.8	-65.9	-178.1	178.6	-172.6	0	110	Y174 F177 F180 L203 H562	Y174-K205 HydrophobicContact CD2-CD 4.47Å; Y174-K205 HydrophobicContact CE1-CD 4.09Å; Y174-K205 HydrophobicContact CE1-CG 4.35Å; Y174-K205 HydrophobicContact CE2-CB 4Å; Y174-K205 HydrophobicContact CE2-CD 4.04Å; Y174-K205 HydrophobicContact CE2-CG 4.21Å; Y174-K205 PolarHBondContact O-NZ 3.33Å; Y174-K205 PolarHBondContact OH-N 3.42Å; Y174-K205 VanDerWaalsContact OH-N 3.09Å; F177-K205 WeakPolarHBondContact O-CD 3.38Å; F177-K205 PolarHBondContact O-NZ 3.46Å; F180-K205 HydrophobicContact CE2-CD 4.43Å; L203-K205 VanDerWaalsContact CD1-O 3.31Å; L203-K205 WeakPolarHBondContact CD1-O 3.26Å; L203-K205 VanDerWaalsContact CG-O 3.24Å; L203-K205 WeakPolarHBondContact CG-O 3.23Å; K205-H562 PolarHBondContact NZ-CE1 2.92Å; K205-H562 VanDerWaalsContact NZ-CE1 3.33Å; K205-H562 PolarHBondContact NZ-NE2 3.1Å
206	P	96.9	Very high	96.1	Very high	2 Å²	2	9.2 Å²	9.2	1%	0.013	5%	0.051	C	C	.	.			trans	-69.4	134.8	178.3	29.2	-35.7	0	0	0	112.2	F180 V208 A234 F237 I239	F180-P206 PolarHBondContact N-O 2.83Å; P206-V208 HydrophobicContact CB-CG2 4.32Å; P206-A234 HydrophobicContact CG-CB 4.33Å; P206-A234 WeakPolarHBondContact CG-O 3.34Å; P206-F237 WeakPolarHBondContact CG-O 3.49Å; P206-I239 WeakPolarHBondContact CA-O 3.17Å; P206-I239 VanDerWaalsContact CB-O 3.32Å; P206-I239 WeakPolarHBondContact CB-O 3.48Å
207	I	98.6	Very high	95.6	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	109.2	164.7	-60	167	0	0	0	106.7	I170 F180 I182 C200 L203 E241 V242 C243	I170-I207 HydrophobicContact CD1-CD1 3.96Å; I170-I207 HydrophobicContact CD1-CG1 4.35Å; I170-I207 HydrophobicContact CD1-CG2 4.1Å; I170-I207 HydrophobicContact CG2-CD1 4.11Å; F180-I207 HydrophobicContact CB-CB 4.48Å; F180-I207 HydrophobicContact CB-CG1 4.15Å; F180-I207 HydrophobicContact CB-CG2 4.44Å; F180-I207 HydrophobicContact CD2-CG1 4.16Å; F180-I207 HydrophobicContact CG-CG1 4.45Å; F180-I207 CarbonylContact O-C 3.5Å; F180-I207 WeakPolarHBondContact O-CA 3.34Å; I182-I207 HydrophobicContact CD1-CG2 4.48Å; I182-I207 HydrophobicContact CG1-CG2 3.99Å; C200-I207 HydrophobicContact CB-CD1 4.29Å; L203-I207 HydrophobicContact CD1-CD1 3.57Å; L203-I207 HydrophobicContact CD1-CG1 4.08Å; L203-I207 HydrophobicContact CD2-CD1 3.76Å; L203-I207 HydrophobicContact CD2-CG1 4.17Å; L203-I207 HydrophobicContact CG-CD1 4.35Å; I207-E241 PolarHBondContact N-O 3.16Å; I207-V242 HydrophobicContact CB-CG2 4.17Å; I207-V242 HydrophobicContact CD1-CG2 3.99Å; I207-V242 HydrophobicContact CG2-CG1 4.46Å; I207-V242 HydrophobicContact CG2-CG2 4.45Å; I207-V242 CarbonylContact O-C 3.58Å; I207-V242 WeakPolarHBondContact O-CA 3.48Å; I207-C243 PolarHBondContact O-N 3.16Å
208	V	98.8	Very high	95.3	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	109.8	-174.9	-173.3	0	0	0	0	110	F180 V181 I182 P206 A230 I233 A234 C243 L250	F180-V208 PolarHBondContact O-N 3.14Å; V181-V208 CarbonylContact C-O 3.55Å; V181-V208 VanDerWaalsContact CA-O 3.25Å; V181-V208 WeakPolarHBondContact CA-O 3.4Å; V181-V208 HydrophobicContact CG2-CB 4.47Å; I182-V208 PolarHBondContact N-O 3.11Å; P206-V208 HydrophobicContact CB-CG2 4.32Å; V208-A230 HydrophobicContact CB-CB 4.44Å; V208-A230 HydrophobicContact CG1-CB 3.78Å; V208-I233 HydrophobicContact CG2-CG2 4.09Å; V208-A234 HydrophobicContact CG2-CB 4.18Å; V208-C243 HydrophobicContact CG2-CB 4.49Å; V208-L250 HydrophobicContact CG1-CD1 4.07Å
209	L	98.8	Very high	95	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	138.2	168.2	-67.4	87.6	0	0	0	109.5	I182 M189 T192 A193 V242 C243 L244 Y245	I182-L209 HydrophobicContact CB-CG 4.16Å; I182-L209 HydrophobicContact CG1-CG 4.46Å; I182-L209 WeakPolarHBondContact O-CA 3.33Å; M189-L209 HydrophobicContact CG-CB 4.14Å; M189-L209 HydrophobicContact CG-CD2 4.07Å; M189-L209 HydrophobicContact SD-CB 4.33Å; T192-L209 HydrophobicContact CG2-CD2 3.9Å; A193-L209 HydrophobicContact CB-CD1 3.91Å; A193-L209 HydrophobicContact CB-CD2 3.95Å; A193-L209 HydrophobicContact CB-CG 4.46Å; L209-V242 HydrophobicContact CD1-CG1 3.36Å; L209-C243 VanDerWaalsContact CD1-O 3.29Å; L209-C243 WeakPolarHBondContact CD1-O 3.36Å; L209-C243 PolarHBondContact N-O 2.91Å; L209-L244 WeakPolarHBondContact O-CA 3.46Å; L209-Y245 PolarHBondContact O-N 3.06Å
210	T	98.7	Very high	94.9	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	168.3	174.8	-167	0	0	0	0	110.3	V181 I182 L183 H184 M189 N226 A230 Y245	V181-T210 HydrophobicContact CG1-CG2 3.78Å; I182-T210 PolarHBondContact O-N 3.15Å; L183-T210 WeakPolarHBondContact CA-O 3.44Å; L183-T210 HydrophobicContact CD2-CG2 3.63Å; H184-T210 PolarHBondContact N-O 3.47Å; M189-T210 VanDerWaalsContact CE-C 3.49Å; M189-T210 WeakPolarHBondContact CE-O 3.41Å; T210-N226 PolarHBondContact OG1-O 3.04Å; T210-A230 HydrophobicContact CG2-CB 3.78Å; T210-Y245 PolarHBondContact OG1-O 3.38Å
211	G	97.5	Very high	94.8	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.156	C	C	.	.			trans	-171.8	-155.5	179.8	0	0	0	0	0	110.3	N226 F246	G211-N226 WeakPolarHBondContact O-CB 3.41Å; G211-N226 PolarHBondContact O-ND2 3.35Å; G211-F246 VanDerWaalsContact C-CE2 3.48Å; G211-F246 WeakPolarHBondContact O-CE2 3.42Å
212	S	97.1	Very high	94.9	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.007	16%	0.155	C	C	.	.			trans	-154.5	159.7	176	71.9	0	0	0	0	111.7	T71 I72 T186 V214 D222 G223	T71-S212 WeakPolarHBondContact CB-O 3.39Å; I72-S212 WeakPolarHBondContact CA-OG 3.37Å; I72-S212 WeakPolarHBondContact CB-OG 3.11Å; I72-S212 PolarHBondContact N-OG 3.06Å; T186-S212 WeakPolarHBondContact CG2-O 3.38Å; S212-V214 VanDerWaalsContact CB-O 3.24Å; S212-V214 WeakPolarHBondContact CB-O 3.42Å; S212-V214 PolarHBondContact OG-O 3.47Å; S212-D222 WeakPolarHBondContact CA-OD2 3.17Å; S212-D222 WeakPolarHBondContact CB-OD1 3.24Å; S212-G223 VanDerWaalsContact CB-CA 3.42Å
213	Q	95.3	Very high	95.1	Very high	33 Å²	33	30.6 Å²	30.6	15%	0.154	14%	0.143	C	C	.	.	S	Bend	trans	-84.3	-27.9	167.7	-63.4	-71.1	29.2	0	0	111.8	T71 T186 D222 F246 D260 S263 F264	T71-Q213 WeakPolarHBondContact CG2-O 3.36Å; T186-Q213 PolarHBondContact OG1-OE1 3.01Å; Q213-D222 PolarHBondContact N-OD1 3.29Å; Q213-D222 PolarHBondContact N-OD2 3.02Å; Q213-F246 HydrophobicContact CG-CE1 4.47Å; Q213-D260 PolarHBondContact NE2-O 3.12Å; Q213-S263 WeakPolarHBondContact CG-O 3.28Å; Q213-S263 PolarHBondContact NE2-O 3.38Å; Q213-F264 HydrophobicContact CB-CD1 4.08Å; Q213-F264 HydrophobicContact CB-CE1 4.29Å; Q213-F264 HydrophobicContact CG-CD1 4.32Å
214	V	94.9	Very high	95.3	Very high	39 Å²	39	32.6 Å²	32.6	24%	0.236	15%	0.15	C	C	.	.	S	Bend	trans	-122.1	138.1	178.5	-179.8	0	0	0	0	109.6	S212 E218 R220 N221 D222 F264	S212-V214 VanDerWaalsContact CB-O 3.24Å; S212-V214 WeakPolarHBondContact CB-O 3.42Å; S212-V214 PolarHBondContact OG-O 3.47Å; V214-E218 HydrophobicContact CG1-CB 3.65Å; V214-E218 HydrophobicContact CG1-CG 3.72Å; V214-R220 WeakPolarHBondContact CG1-O 2.96Å; V214-N221 HydrophobicContact CB-CB 3.94Å; V214-N221 HydrophobicContact CG1-CB 3.87Å; V214-D222 PolarHBondContact N-OD1 3.28Å; V214-F264 HydrophobicContact CG2-CE1 3.94Å; V214-F264 HydrophobicContact CG2-CZ 4.41Å
215	P	94.3	Very high	95.5	Very high	4 Å²	4	36.6 Å²	36.6	3%	0.026	17%	0.169	C	C	.	.			trans	-56.7	146.6	179.7	-24.8	33.9	0	0	0	113.3	T71 M74 Y81 Y217 E218 N221	T71-P215 HydrophobicContact CG2-CG 3.99Å; T71-P215 VanDerWaalsContact O-CA 3.29Å; T71-P215 WeakPolarHBondContact O-CA 3.44Å; T71-P215 WeakPolarHBondContact O-CB 3.31Å; T71-P215 WeakPolarHBondContact O-CG 3.23Å; M74-P215 HydrophobicContact CB-CG 4.33Å; M74-P215 WeakPolarHBondContact O-CB 3.48Å; Y81-P215 HydrophobicContact CD1-CG 3.74Å; Y81-P215 HydrophobicContact CE1-CG 3.63Å; P215-Y217 HydrophobicContact CB-CD2 4.18Å; P215-Y217 PolarHBondContact O-N 3.3Å; P215-E218 HydrophobicContact CB-CG 4.4Å; P215-E218 PolarHBondContact O-N 2.98Å; P215-E218 VanDerWaalsContact O-N 3.1Å; P215-N221 WeakPolarHBondContact O-CB 3.46Å
216	I	93.9	Very high	95.6	Very high	2 Å²	2	36.5 Å²	36.5	1%	0.01	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-19.5	-174.3	-157.7	169.2	0	0	0	113.4	I72 L88 L92 L98 N221 R224 L227	I72-I216 HydrophobicContact CG1-CB 4.15Å; I72-I216 WeakPolarHBondContact O-CB 3.43Å; I72-I216 VanDerWaalsContact O-CG2 3.26Å; I72-I216 WeakPolarHBondContact O-CG2 3.49Å; I72-I216 PolarHBondContact O-N 3.23Å; L88-I216 HydrophobicContact CD1-CG2 4.06Å; L92-I216 HydrophobicContact CD2-CD1 3.76Å; L98-I216 HydrophobicContact CD1-CD1 4.19Å; I216-N221 PolarHBondContact O-ND2 3.36Å; I216-R224 HydrophobicContact CD1-CG 4.2Å; I216-R224 HydrophobicContact CG1-CG 3.64Å; I216-R224 PolarHBondContact O-NE 3.17Å; I216-R224 PolarHBondContact O-NH2 3.05Å; I216-L227 HydrophobicContact CD1-CD2 4.14Å
217	Y	89.8	Confident	95.7	Very high	67 Å²	67	36.5 Å²	36.5	26%	0.263	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-26.1	179.5	-45	-56.5	0	0	0	112.9	M74 T75 S91 P215	M74-Y217 VanDerWaalsContact O-CD2 3.27Å; M74-Y217 WeakPolarHBondContact O-CD2 3.48Å; M74-Y217 WeakPolarHBondContact O-CE2 3.45Å; T75-Y217 HydrophobicContact CG2-CD2 3.86Å; T75-Y217 HydrophobicContact CG2-CE2 3.58Å; S91-Y217 VanDerWaalsContact CB-CE1 3.49Å; S91-Y217 VanDerWaalsContact OG-CE1 3.24Å; S91-Y217 WeakPolarHBondContact OG-CE1 3.09Å; P215-Y217 HydrophobicContact CB-CD2 4.18Å; P215-Y217 PolarHBondContact O-N 3.3Å
218	E	91.2	Very high	95.6	Very high	72 Å²	72	38.6 Å²	38.6	34%	0.336	18%	0.179	S	C	.	.	S	Bend	trans	-70.1	153.1	-178.8	-64.4	-65.2	168.9	0	0	111.3	Y81 V214 P215 R220 N221 R224	Y81-E218 PolarHBondContact OH-OE1 3.5Å; V214-E218 HydrophobicContact CG1-CB 3.65Å; V214-E218 HydrophobicContact CG1-CG 3.72Å; P215-E218 HydrophobicContact CB-CG 4.4Å; P215-E218 PolarHBondContact O-N 2.98Å; P215-E218 VanDerWaalsContact O-N 3.1Å; E218-R220 PolarHBondContact O-N 3.02Å; E218-N221 PolarHBondContact O-ND2 2.98Å; E218-R224 PolarHBondContact O-NH2 3.14Å
219	L	91.4	Very high	95.4	Very high	160 Å²	160	38.8 Å²	38.8	84%	0.838	18%	0.181	S	C	*	.	S	Bend	trans	-61.2	-49.1	-178.4	-179.7	62.6	0	0	0	112
220	R	94.6	Very high	95.4	Very high	202 Å²	202	38.8 Å²	38.8	76%	0.762	18%	0.181	S	C	*	.	S	Bend	trans	-104.9	104.6	177.4	-179.3	-179.3	179.4	-126.7	-0.3	108.8	V214 E218	V214-R220 WeakPolarHBondContact CG1-O 2.96Å; E218-R220 PolarHBondContact O-N 3.02Å
221	N	95.1	Very high	95.3	Very high	18 Å²	18	38.8 Å²	38.8	10%	0.096	18%	0.181	C	C	.	.			trans	-144.5	160.4	178.2	71.4	83.6	0	0	0	111	V214 P215 I216 E218 G223 R224	V214-N221 HydrophobicContact CB-CB 3.94Å; V214-N221 HydrophobicContact CG1-CB 3.87Å; P215-N221 WeakPolarHBondContact O-CB 3.46Å; I216-N221 PolarHBondContact O-ND2 3.36Å; E218-N221 PolarHBondContact O-ND2 2.98Å; N221-G223 PolarHBondContact OD1-N 3.35Å; N221-R224 PolarHBondContact ND2-NE 3.41Å; N221-R224 WeakPolarHBondContact OD1-CG 3.13Å; N221-R224 PolarHBondContact OD1-N 3Å
222	D	96.7	Very high	95.2	Very high	8 Å²	8	40.4 Å²	40.4	4%	0.043	19%	0.19	C	C	.	.	S	Bend	trans	-94.3	-14.4	172.6	57.8	-41.6	0	0	0	112.9	S212 Q213 V214 R224 D225 N226 F246 F264	S212-D222 WeakPolarHBondContact CA-OD2 3.17Å; S212-D222 WeakPolarHBondContact CB-OD1 3.24Å; Q213-D222 PolarHBondContact N-OD1 3.29Å; Q213-D222 PolarHBondContact N-OD2 3.02Å; V214-D222 PolarHBondContact N-OD1 3.28Å; D222-R224 PolarHBondContact O-N 3.47Å; D222-D225 PolarHBondContact O-N 3.49Å; D222-N226 VanDerWaalsContact O-CB 3.29Å; D222-N226 WeakPolarHBondContact O-CB 3.19Å; D222-N226 PolarHBondContact O-N 3.44Å; D222-N226 PolarHBondContact O-ND2 3.33Å; D222-N226 PolarHBondContact OD2-ND2 2.89Å; D222-F246 WeakPolarHBondContact OD2-CE1 3.45Å; D222-F246 WeakPolarHBondContact OD2-CZ 3.35Å; D222-F264 HydrophobicContact CB-CB 4.25Å; D222-F264 HydrophobicContact CB-CD1 3.71Å; D222-F264 HydrophobicContact CB-CD2 4.04Å; D222-F264 HydrophobicContact CB-CE1 3.96Å; D222-F264 HydrophobicContact CB-CE2 4.27Å; D222-F264 HydrophobicContact CB-CG 3.76Å; D222-F264 HydrophobicContact CB-CZ 4.23Å
223	G	96.1	Very high	95	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-63.8	-32.7	-175.5	0	0	0	0	0	115.1	S212 N221 L227	S212-G223 VanDerWaalsContact CB-CA 3.42Å; N221-G223 PolarHBondContact OD1-N 3.35Å; G223-L227 VanDerWaalsContact O-CB 3.23Å; G223-L227 WeakPolarHBondContact O-CB 3.33Å; G223-L227 PolarHBondContact O-N 3.15Å
224	R	96	Very high	95	Very high	60 Å²	60	39 Å²	39	23%	0.226	18%	0.183	C	C	.	.	H	α-helix	trans	-63.6	-51.2	177.8	-69.6	173.6	-169.6	160.6	7.7	111.7	L95 I97 I216 E218 N221 D222 L228	L95-R224 HydrophobicContact CD1-CG 4.49Å; I97-R224 HydrophobicContact CD1-CB 4.06Å; I97-R224 HydrophobicContact CD1-CG 4.37Å; I216-R224 HydrophobicContact CD1-CG 4.2Å; I216-R224 HydrophobicContact CG1-CG 3.64Å; I216-R224 PolarHBondContact O-NE 3.17Å; I216-R224 PolarHBondContact O-NH2 3.05Å; E218-R224 PolarHBondContact O-NH2 3.14Å; N221-R224 PolarHBondContact ND2-NE 3.41Å; N221-R224 WeakPolarHBondContact OD1-CG 3.13Å; N221-R224 PolarHBondContact OD1-N 3Å; D222-R224 PolarHBondContact O-N 3.47Å; R224-L228 VanDerWaalsContact O-CB 3.3Å; R224-L228 WeakPolarHBondContact O-CB 3.4Å; R224-L228 PolarHBondContact O-N 3.17Å
225	D	95.1	Very high	94.8	Very high	94 Å²	94	37.4 Å²	37.4	50%	0.503	18%	0.175	S	C	.	.	H	α-helix	trans	-71.4	-39.6	-177.7	-64.5	-23.1	0	0	0	111.3	D222 L228 G229	D222-D225 PolarHBondContact O-N 3.49Å; D225-L228 PolarHBondContact O-N 2.93Å; D225-G229 PolarHBondContact O-N 3.48Å
226	N	97.9	Very high	94.5	Very high	4 Å²	4	39 Å²	39	2%	0.021	18%	0.182	C	C	.	.	H	α-helix	trans	-61.9	-43.4	176.1	-75.6	-13.3	0	0	0	112	T210 G211 D222 A230 Y245 F246 Y247	T210-N226 PolarHBondContact OG1-O 3.04Å; G211-N226 WeakPolarHBondContact O-CB 3.41Å; G211-N226 PolarHBondContact O-ND2 3.35Å; D222-N226 VanDerWaalsContact O-CB 3.29Å; D222-N226 WeakPolarHBondContact O-CB 3.19Å; D222-N226 PolarHBondContact O-N 3.44Å; D222-N226 PolarHBondContact O-ND2 3.33Å; D222-N226 PolarHBondContact OD2-ND2 2.89Å; N226-A230 VanDerWaalsContact O-CB 3.32Å; N226-A230 WeakPolarHBondContact O-CB 3.43Å; N226-A230 PolarHBondContact O-N 3.32Å; N226-A230 VanDerWaalsContact O-N 3.14Å; N226-Y245 VanDerWaalsContact O-CD1 3.31Å; N226-Y245 WeakPolarHBondContact O-CD1 3.06Å; N226-F246 WeakPolarHBondContact ND2-CE2 3.43Å; N226-F246 VanDerWaalsContact ND2-CZ 3.31Å; N226-F246 WeakPolarHBondContact ND2-CZ 3.46Å; N226-Y247 PolarHBondContact OD1-N 3.27Å
227	L	98.1	Very high	94.1	Very high	2 Å²	2	40.5 Å²	40.5	1%	0.01	19%	0.188	C	C	.	.	H	α-helix	trans	-68.8	-46.7	176.6	177.3	52	0	0	0	111.6	I72 L92 L98 V181 L183 I216 G223 G229 A230 L231	I72-L227 HydrophobicContact CD1-CB 4.39Å; L92-L227 HydrophobicContact CD1-CD2 4.13Å; L92-L227 HydrophobicContact CD2-CD2 4.03Å; L98-L227 HydrophobicContact CD1-CD2 4.33Å; L98-L227 HydrophobicContact CD2-CG 4.38Å; V181-L227 HydrophobicContact CG1-CD1 4.32Å; L183-L227 HydrophobicContact CD2-CD1 3.86Å; I216-L227 HydrophobicContact CD1-CD2 4.14Å; G223-L227 VanDerWaalsContact O-CB 3.23Å; G223-L227 WeakPolarHBondContact O-CB 3.33Å; G223-L227 PolarHBondContact O-N 3.15Å; L227-G229 PolarHBondContact O-N 2.67Å; L227-A230 PolarHBondContact O-N 3.24Å; L227-L231 HydrophobicContact CD1-CD1 3.91Å; L227-L231 HydrophobicContact CD1-CG 3.96Å; L227-L231 HydrophobicContact CG-CD1 4Å; L227-L231 WeakPolarHBondContact O-CG 3.43Å; L227-L231 PolarHBondContact O-N 2.84Å
228	L	96.4	Very high	94.1	Very high	45 Å²	45	39.2 Å²	39.2	24%	0.236	19%	0.188	C	C	.	.	H	α-helix	trans	-58.8	-48.8	179.6	178.3	60	0	0	0	111.4	L98 L121 R224 D225 A230 L231 L232	L98-L228 HydrophobicContact CD2-CB 4.03Å; L98-L228 HydrophobicContact CD2-CD1 4.2Å; L121-L228 HydrophobicContact CD1-CD1 3.91Å; L121-L228 HydrophobicContact CD2-CD1 4.15Å; R224-L228 VanDerWaalsContact O-CB 3.3Å; R224-L228 WeakPolarHBondContact O-CB 3.4Å; R224-L228 PolarHBondContact O-N 3.17Å; D225-L228 PolarHBondContact O-N 2.93Å; L228-A230 PolarHBondContact O-N 3.46Å; L228-L231 PolarHBondContact O-N 3.47Å; L228-L232 HydrophobicContact CD1-CD1 4.12Å; L228-L232 HydrophobicContact CD1-CG 4.29Å; L228-L232 HydrophobicContact CG-CD1 3.97Å; L228-L232 VanDerWaalsContact O-CG 3.28Å; L228-L232 WeakPolarHBondContact O-CG 3.47Å; L228-L232 PolarHBondContact O-N 3.34Å
229	G	95.7	Very high	94.1	Very high	3 Å²	3	35.9 Å²	35.9	3%	0.031	17%	0.172	C	C	.	.	H	α-helix	trans	-64.3	-38.4	178.8	0	0	0	0	0	113	D225 L227 L232 I233 Y245	D225-G229 PolarHBondContact O-N 3.48Å; L227-G229 PolarHBondContact O-N 2.67Å; G229-L232 PolarHBondContact O-N 3.39Å; G229-I233 WeakPolarHBondContact O-CB 3.45Å; G229-I233 VanDerWaalsContact O-CG1 3.29Å; G229-I233 WeakPolarHBondContact O-CG1 3.4Å; G229-I233 PolarHBondContact O-N 3.47Å; G229-Y245 VanDerWaalsContact CA-CE1 3.49Å
230	A	98	Very high	94.2	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-63.8	-42.7	174.9	0	0	0	0	0	112.4	V181 V208 T210 N226 L227 L228 I233 A234 Y245	V181-A230 HydrophobicContact CG1-CB 4.03Å; V181-A230 HydrophobicContact CG2-CB 4.14Å; V208-A230 HydrophobicContact CB-CB 4.44Å; V208-A230 HydrophobicContact CG1-CB 3.78Å; T210-A230 HydrophobicContact CG2-CB 3.78Å; N226-A230 VanDerWaalsContact O-CB 3.32Å; N226-A230 WeakPolarHBondContact O-CB 3.43Å; N226-A230 PolarHBondContact O-N 3.32Å; N226-A230 VanDerWaalsContact O-N 3.14Å; L227-A230 PolarHBondContact O-N 3.24Å; L228-A230 PolarHBondContact O-N 3.46Å; A230-I233 PolarHBondContact O-N 2.91Å; A230-A234 VanDerWaalsContact O-CB 3.29Å; A230-A234 WeakPolarHBondContact O-CB 3.28Å; A230-A234 PolarHBondContact O-N 3.06Å; A230-Y245 HydrophobicContact CB-CD1 4.24Å
231	L	97.1	Very high	94.3	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-63.8	-44.7	176	-72.7	169.3	0	0	0	111.9	V63 V65 L98 L121 Y144 V181 L227 L228 A234 G235	V63-L231 HydrophobicContact CB-CD2 4.29Å; V63-L231 HydrophobicContact CG1-CD2 3.91Å; V65-L231 HydrophobicContact CG2-CD2 3.66Å; L98-L231 HydrophobicContact CD2-CD1 4.3Å; L121-L231 HydrophobicContact CD1-CB 3.92Å; L121-L231 HydrophobicContact CD1-CD1 4.24Å; L121-L231 HydrophobicContact CD2-CD1 4.14Å; Y144-L231 HydrophobicContact CD1-CD1 4.03Å; Y144-L231 HydrophobicContact CD1-CD2 4.27Å; Y144-L231 HydrophobicContact CD2-CD1 4.3Å; Y144-L231 HydrophobicContact CD2-CD2 4.09Å; Y144-L231 HydrophobicContact CE1-CD1 3.98Å; Y144-L231 HydrophobicContact CE2-CD1 4.22Å; Y144-L231 HydrophobicContact CG-CD1 4.18Å; Y144-L231 HydrophobicContact CG-CD2 3.78Å; V181-L231 HydrophobicContact CG2-CD2 4.18Å; L227-L231 HydrophobicContact CD1-CD1 3.91Å; L227-L231 HydrophobicContact CD1-CG 3.96Å; L227-L231 HydrophobicContact CG-CD1 4Å; L227-L231 WeakPolarHBondContact O-CG 3.43Å; L227-L231 PolarHBondContact O-N 2.84Å; L228-L231 PolarHBondContact O-N 3.47Å; L231-A234 PolarHBondContact O-N 2.67Å; L231-G235 PolarHBondContact O-N 3.33Å
232	L	93.9	Very high	94.5	Very high	35 Å²	35	18.9 Å²	18.9	18%	0.183	10%	0.097	C	C	.	.	H	α-helix	trans	-58.6	-48.6	175.9	-71.9	167.3	0	0	0	110.6	I142 L228 G229 G235 Q236 F282	I142-L232 HydrophobicContact CD1-CD2 3.75Å; I142-L232 HydrophobicContact CD1-CG 4.4Å; L228-L232 HydrophobicContact CD1-CD1 4.12Å; L228-L232 HydrophobicContact CD1-CG 4.29Å; L228-L232 HydrophobicContact CG-CD1 3.97Å; L228-L232 VanDerWaalsContact O-CG 3.28Å; L228-L232 WeakPolarHBondContact O-CG 3.47Å; L228-L232 PolarHBondContact O-N 3.34Å; G229-L232 PolarHBondContact O-N 3.39Å; L232-G235 PolarHBondContact O-N 3.25Å; L232-Q236 WeakPolarHBondContact O-CB 3.32Å; L232-Q236 VanDerWaalsContact O-CG 3.31Å; L232-Q236 WeakPolarHBondContact O-CG 3.33Å; L232-Q236 PolarHBondContact O-N 3.2Å; L232-Q236 PolarHBondContact O-OE1 3.29Å; L232-F282 HydrophobicContact CB-CE2 4.11Å; L232-F282 HydrophobicContact CB-CZ 3.88Å; L232-F282 HydrophobicContact CD1-CE2 4.13Å; L232-F282 HydrophobicContact CD1-CZ 4.04Å
233	I	93.4	Very high	94.6	Very high	2 Å²	2	18.5 Å²	18.5	1%	0.01	10%	0.096	C	C	.	.	H	α-helix	trans	-61.9	-49.8	179.6	-71	171.6	0	0	0	111.5	V208 G229 A230 G235 F237 I239 Y245 L250 F282	V208-I233 HydrophobicContact CG2-CG2 4.09Å; G229-I233 WeakPolarHBondContact O-CB 3.45Å; G229-I233 VanDerWaalsContact O-CG1 3.29Å; G229-I233 WeakPolarHBondContact O-CG1 3.4Å; G229-I233 PolarHBondContact O-N 3.47Å; A230-I233 PolarHBondContact O-N 2.91Å; I233-G235 VanDerWaalsContact C-N 3.33Å; I233-G235 PolarHBondContact O-N 2.81Å; I233-F237 PolarHBondContact O-N 3.17Å; I233-F237 VanDerWaalsContact O-N 3.15Å; I233-I239 HydrophobicContact CG2-CD1 4.21Å; I233-Y245 HydrophobicContact CD1-CD2 3.33Å; I233-Y245 HydrophobicContact CD1-CE2 3.48Å; I233-Y245 VanDerWaalsContact CD1-CE2 3.48Å; I233-Y245 HydrophobicContact CD1-CG 4.16Å; I233-L250 HydrophobicContact CD1-CB 4.02Å; I233-L250 HydrophobicContact CD1-CD1 3.92Å; I233-L250 HydrophobicContact CD1-CD2 4.21Å; I233-L250 HydrophobicContact CD1-CG 4.27Å; I233-L250 HydrophobicContact CG2-CD1 4.13Å; I233-L250 HydrophobicContact CG2-CD2 3.81Å; I233-F282 HydrophobicContact CD1-CD1 4.29Å; I233-F282 HydrophobicContact CD1-CE1 3.86Å; I233-F282 HydrophobicContact CG1-CD1 4.02Å; I233-F282 HydrophobicContact CG1-CE1 3.61Å; I233-F282 HydrophobicContact CG1-CZ 4.31Å
234	A	95.4	Very high	94.7	Very high	2 Å²	2	18.5 Å²	18.5	2%	0.017	10%	0.096	C	C	.	.	H	α-helix	trans	-66.9	-31.4	-176.9	0	0	0	0	0	113.3	V63 V181 P206 V208 A230 L231	V63-A234 HydrophobicContact CG1-CB 4Å; V63-A234 HydrophobicContact CG2-CB 4.23Å; V181-A234 HydrophobicContact CG2-CB 3.79Å; P206-A234 HydrophobicContact CG-CB 4.33Å; P206-A234 WeakPolarHBondContact CG-O 3.34Å; V208-A234 HydrophobicContact CG2-CB 4.18Å; A230-A234 VanDerWaalsContact O-CB 3.29Å; A230-A234 WeakPolarHBondContact O-CB 3.28Å; A230-A234 PolarHBondContact O-N 3.06Å; L231-A234 PolarHBondContact O-N 2.67Å
235	G	91.2	Very high	94.8	Very high	6 Å²	6	15.9 Å²	15.9	6%	0.062	9%	0.086	C	C	.	.	H	α-helix	trans	-90.7	-20.3	-179.4	0	0	0	0	0	114.8	S61 L231 L232 I233	S61-G235 WeakPolarHBondContact CB-O 3.4Å; S61-G235 WeakPolarHBondContact OG-CA 3.32Å; S61-G235 PolarHBondContact OG-O 3.06Å; L231-G235 PolarHBondContact O-N 3.33Å; L232-G235 PolarHBondContact O-N 3.25Å; I233-G235 VanDerWaalsContact C-N 3.33Å; I233-G235 PolarHBondContact O-N 2.81Å
236	Q	86.6	Confident	94.9	Very high	37 Å²	37	11.5 Å²	11.5	17%	0.173	6%	0.062	C	C	.	.	H	α-helix	trans	-109.3	-23.3	-172.3	-63.3	171.3	-26.2	0	0	113.4	L138 I142 L232	L138-Q236 HydrophobicContact CD2-CB 3.69Å; L138-Q236 HydrophobicContact CD2-CG 3.95Å; I142-Q236 HydrophobicContact CD1-CG 4.06Å; L232-Q236 WeakPolarHBondContact O-CB 3.32Å; L232-Q236 VanDerWaalsContact O-CG 3.31Å; L232-Q236 WeakPolarHBondContact O-CG 3.33Å; L232-Q236 PolarHBondContact O-N 3.2Å; L232-Q236 PolarHBondContact O-OE1 3.29Å
237	F	87.4	Confident	94.9	Very high	33 Å²	33	16.8 Å²	16.8	15%	0.145	8%	0.083	C	C	.	.			trans	-125.6	141.4	-174.7	-53.6	-75.8	0	0	0	112.8	L138 P206 I233 I239 F282 I284 W286	L138-F237 HydrophobicContact CD2-CE1 4.22Å; L138-F237 HydrophobicContact CD2-CE2 4.04Å; L138-F237 HydrophobicContact CD2-CZ 3.55Å; P206-F237 WeakPolarHBondContact CG-O 3.49Å; I233-F237 PolarHBondContact O-N 3.17Å; I233-F237 VanDerWaalsContact O-N 3.15Å; F237-I239 HydrophobicContact CB-CD1 4.2Å; F237-I239 HydrophobicContact CB-CG1 4.05Å; F237-I239 PolarHBondContact O-N 2.88Å; F237-F282 HydrophobicContact CE2-CB 4.04Å; F237-F282 HydrophobicContact CE2-CD2 4.17Å; F237-F282 AromaticContact CE2-CG 4Å; F237-F282 HydrophobicContact CE2-CG 4Å; F237-F282 HydrophobicContact CZ-CB 3.85Å; F237-F282 HydrophobicContact CZ-CD2 4.38Å; F237-F282 HydrophobicContact CZ-CG 4.24Å; F237-I284 HydrophobicContact CB-CD1 4.02Å; F237-I284 HydrophobicContact CD1-CD1 3.18Å; F237-I284 HydrophobicContact CD2-CD1 3.81Å; F237-I284 HydrophobicContact CE1-CD1 3.41Å; F237-I284 VanDerWaalsContact CE1-CD1 3.41Å; F237-I284 HydrophobicContact CE2-CD1 4.03Å; F237-I284 HydrophobicContact CG-CD1 3.38Å; F237-I284 HydrophobicContact CZ-CD1 3.83Å; F237-W286 HydrophobicContact CB-CH2 4.35Å; F237-W286 HydrophobicContact CD1-CZ2 4.29Å
238	V	88.2	Confident	94.8	Very high	41 Å²	41	20.4 Å²	20.4	25%	0.248	10%	0.102	C	C	.	.			trans	-94.5	76.3	175	-172.1	0	0	0	0	109.3	G204 P240 R291 H531	G204-V238 WeakPolarHBondContact O-CG1 3.34Å; V238-P240 WeakPolarHBondContact O-CD 3.46Å; V238-R291 PolarHBondContact O-NH1 3.2Å; V238-H531 HydrophobicContact CG1-CB 4.41Å
239	I	92.1	Very high	94.9	Very high	1 Å²	1	21.5 Å²	21.5	1%	0.005	11%	0.105	C	C	.	.			trans	-98.4	98.7	173.6	-57.9	175.4	0	0	0	107.4	P206 I233 F237 E241 L250 L275 I284 W286 V289	P206-I239 WeakPolarHBondContact CA-O 3.17Å; P206-I239 VanDerWaalsContact CB-O 3.32Å; P206-I239 WeakPolarHBondContact CB-O 3.48Å; I233-I239 HydrophobicContact CG2-CD1 4.21Å; F237-I239 HydrophobicContact CB-CD1 4.2Å; F237-I239 HydrophobicContact CB-CG1 4.05Å; F237-I239 PolarHBondContact O-N 2.88Å; I239-E241 HydrophobicContact CG2-CB 4.3Å; I239-E241 HydrophobicContact CG2-CG 4.49Å; I239-E241 PolarHBondContact O-N 3.03Å; I239-L250 HydrophobicContact CD1-CD2 3.5Å; I239-L275 HydrophobicContact CG2-CD1 4.47Å; I239-I284 HydrophobicContact CD1-CD1 4.3Å; I239-I284 HydrophobicContact CD1-CG2 4.35Å; I239-W286 HydrophobicContact CG1-CH2 4.11Å; I239-W286 HydrophobicContact CG1-CZ3 4.01Å; I239-V289 HydrophobicContact CG2-CG1 4.14Å; I239-V289 HydrophobicContact CG2-CG2 4.3Å
240	P	93.7	Very high	95	Very high	10 Å²	10	21.4 Å²	21.4	7%	0.065	10%	0.104	C	C	.	.			trans	-81.9	53.8	-168.3	36.5	-38.2	0	0	0	112.2	L203 V238 R291	L203-P240 WeakPolarHBondContact O-CB 3.38Å; V238-P240 WeakPolarHBondContact O-CD 3.46Å; P240-R291 HydrophobicContact CG-CB 4.34Å; P240-R291 HydrophobicContact CG-CG 3.76Å
241	E	96.1	Very high	95	Very high	9 Å²	9	21.7 Å²	21.7	4%	0.042	11%	0.105	C	C	.	.	S	Bend	trans	-134.5	158.1	-175.8	-65.7	-165.3	-128.6	0	0	111.4	I207 I239 R252 V289 W290	I207-E241 PolarHBondContact N-O 3.16Å; I239-E241 HydrophobicContact CG2-CB 4.3Å; I239-E241 HydrophobicContact CG2-CG 4.49Å; I239-E241 PolarHBondContact O-N 3.03Å; E241-R252 IonicContact OE1-CZ 3.75Å; E241-R252 IonicContact OE1-NE 3.19Å; E241-R252 IonicContact OE1-NH2 2.81Å; E241-R252 PolarHBondContact OE1-NH2 2.84Å; E241-R252 WeakPolarHBondContact OE2-CG 3.36Å; E241-R252 IonicContact OE2-CZ 3.64Å; E241-R252 IonicContact OE2-NE 2.7Å; E241-R252 PolarHBondContact OE2-NE 3.03Å; E241-R252 IonicContact OE2-NH2 3.24Å; E241-R252 PolarHBondContact OE2-NH2 3.27Å; E241-V289 VanDerWaalsContact OE1-CA 3.32Å; E241-V289 WeakPolarHBondContact OE1-CA 3.26Å; E241-W290 HydrophobicContact CG-CB 4.15Å; E241-W290 PolarHBondContact OE1-N 3.19Å
242	V	98.5	Very high	95.1	Very high	4 Å²	4	22.1 Å²	22.1	2%	0.024	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	114.1	160.1	-178.7	0	0	0	0	107.3	A193 L196 L203 I207 L209 G253	A193-V242 HydrophobicContact CB-CG1 4.44Å; A193-V242 WeakPolarHBondContact O-CG1 3.36Å; L196-V242 HydrophobicContact CB-CG1 4.07Å; L196-V242 HydrophobicContact CB-CG2 4.15Å; L203-V242 HydrophobicContact CD2-CG2 4.05Å; I207-V242 HydrophobicContact CB-CG2 4.17Å; I207-V242 HydrophobicContact CD1-CG2 3.99Å; I207-V242 HydrophobicContact CG2-CG1 4.46Å; I207-V242 HydrophobicContact CG2-CG2 4.45Å; I207-V242 CarbonylContact O-C 3.58Å; I207-V242 WeakPolarHBondContact O-CA 3.48Å; L209-V242 HydrophobicContact CD1-CG1 3.36Å; V242-G253 WeakPolarHBondContact O-CA 3.45Å; V242-G253 PolarHBondContact O-N 2.82Å
243	C	98.6	Very high	95.3	Very high	1 Å²	1	20.5 Å²	20.5	1%	0.007	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	162	-174.7	-60.4	0	0	0	0	110.8	I207 V208 L209 L250 Y251	I207-C243 PolarHBondContact O-N 3.16Å; V208-C243 HydrophobicContact CG2-CB 4.49Å; L209-C243 VanDerWaalsContact CD1-O 3.29Å; L209-C243 WeakPolarHBondContact CD1-O 3.36Å; L209-C243 PolarHBondContact N-O 2.91Å; C243-L250 HydrophobicContact CB-CD1 3.54Å; C243-L250 HydrophobicContact CB-CD2 4.5Å; C243-L250 HydrophobicContact CB-CG 4.03Å; C243-Y251 CarbonylContact C-O 3.47Å; C243-Y251 WeakPolarHBondContact CA-O 3.36Å; C243-Y251 WeakPolarHBondContact CB-O 3.36Å
244	L	98.8	Very high	95.5	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	122.1	168.6	-173.9	154.7	0	0	0	108.2	M189 L209 F246 Y251 V256 F267	M189-L244 HydrophobicContact CB-CD1 4.24Å; M189-L244 HydrophobicContact CG-CD1 3.69Å; M189-L244 HydrophobicContact CG-CG 4.43Å; M189-L244 HydrophobicContact SD-CD1 3.5Å; M189-L244 VanDerWaalsContact SD-CD1 3.5Å; M189-L244 HydrophobicContact SD-CD2 4.38Å; M189-L244 HydrophobicContact SD-CG 3.74Å; L209-L244 WeakPolarHBondContact O-CA 3.46Å; L244-F246 HydrophobicContact CD2-CB 3.91Å; L244-Y251 HydrophobicContact CD2-CD2 4.18Å; L244-Y251 PolarHBondContact N-O 2.89Å; L244-Y251 PolarHBondContact O-N 3.05Å; L244-V256 HydrophobicContact CB-CG2 4.31Å; L244-V256 HydrophobicContact CD1-CB 4.37Å; L244-V256 HydrophobicContact CD1-CG1 3.84Å; L244-V256 HydrophobicContact CD2-CG1 4.39Å; L244-F267 HydrophobicContact CD1-CD1 4.09Å; L244-F267 HydrophobicContact CD1-CE1 4.08Å; L244-F267 HydrophobicContact CD1-CG 4.33Å; L244-F267 HydrophobicContact CD1-CZ 4.33Å; L244-F267 HydrophobicContact CD2-CB 4.1Å; L244-F267 HydrophobicContact CD2-CD1 4.49Å; L244-F267 HydrophobicContact CD2-CD2 3.91Å; L244-F267 HydrophobicContact CD2-CE2 4.45Å; L244-F267 HydrophobicContact CD2-CG 3.92Å
245	Y	98.6	Very high	95.6	Very high	5 Å²	5	20.6 Å²	20.6	2%	0.02	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	122.1	176.9	-176.7	-99.1	0	0	0	110.5	L209 T210 N226 G229 A230 I233 K249 L250 A278	L209-Y245 PolarHBondContact O-N 3.06Å; T210-Y245 PolarHBondContact OG1-O 3.38Å; N226-Y245 VanDerWaalsContact O-CD1 3.31Å; N226-Y245 WeakPolarHBondContact O-CD1 3.06Å; G229-Y245 VanDerWaalsContact CA-CE1 3.49Å; A230-Y245 HydrophobicContact CB-CD1 4.24Å; I233-Y245 HydrophobicContact CD1-CD2 3.33Å; I233-Y245 HydrophobicContact CD1-CE2 3.48Å; I233-Y245 VanDerWaalsContact CD1-CE2 3.48Å; I233-Y245 HydrophobicContact CD1-CG 4.16Å; Y245-K249 WeakPolarHBondContact CA-O 3.1Å; Y245-K249 VanDerWaalsContact CD2-O 3.29Å; Y245-K249 WeakPolarHBondContact CD2-O 3.28Å; Y245-L250 HydrophobicContact CD2-CB 4.13Å; Y245-L250 HydrophobicContact CD2-CD1 4.16Å; Y245-A278 HydrophobicContact CE2-CB 4.31Å; Y245-A278 WeakPolarHBondContact OH-CB 3.45Å
246	F	97.9	Very high	96	Very high	1 Å²	1	20.3 Å²	20.3	0%	0.004	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	141.5	178.4	-135.5	-93.9	0	0	0	110.1	T186 G211 Q213 D222 N226 L244 N248 K249 F264 A266 F267	T186-F246 HydrophobicContact CG2-CE2 4.02Å; T186-F246 HydrophobicContact CG2-CZ 3.94Å; G211-F246 VanDerWaalsContact C-CE2 3.48Å; G211-F246 WeakPolarHBondContact O-CE2 3.42Å; Q213-F246 HydrophobicContact CG-CE1 4.47Å; D222-F246 WeakPolarHBondContact OD2-CE1 3.45Å; D222-F246 WeakPolarHBondContact OD2-CZ 3.35Å; N226-F246 WeakPolarHBondContact ND2-CE2 3.43Å; N226-F246 VanDerWaalsContact ND2-CZ 3.31Å; N226-F246 WeakPolarHBondContact ND2-CZ 3.46Å; L244-F246 HydrophobicContact CD2-CB 3.91Å; F246-N248 VanDerWaalsContact C-N 3.35Å; F246-N248 PolarHBondContact O-N 3.02Å; F246-K249 PolarHBondContact N-O 2.72Å; F246-K249 PolarHBondContact O-N 2.83Å; F246-K249 VanDerWaalsContact O-N 3.07Å; F246-F264 WeakPolarHBondContact CD1-O 3.27Å; F246-F264 WeakPolarHBondContact CE1-O 3.39Å; F246-A266 HydrophobicContact CD1-CB 4.31Å; F246-A266 HydrophobicContact CE1-CB 4Å; F246-F267 HydrophobicContact CB-CD2 4.07Å; F246-F267 HydrophobicContact CD1-CD2 4.09Å; F246-F267 AromaticContact CD2-CD2 3.98Å; F246-F267 HydrophobicContact CD2-CD2 3.98Å; F246-F267 AromaticContact CD2-CE2 3.94Å; F246-F267 HydrophobicContact CD2-CE2 3.94Å; F246-F267 HydrophobicContact CE2-CD2 4.42Å; F246-F267 HydrophobicContact CE2-CE2 4.02Å; F246-F267 AromaticContact CG-CD2 3.78Å; F246-F267 HydrophobicContact CG-CD2 3.78Å; F246-F267 HydrophobicContact CG-CE2 4.2Å; F246-F267 HydrophobicContact CZ-CE2 4.38Å
247	Y	96.6	Very high	96.5	Very high	115 Å²	115	19.7 Å²	19.7	45%	0.451	9%	0.094	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.6	53.6	174	-163	-106.7	0	0	0	112.9	N226 K249 F264 N265	N226-Y247 PolarHBondContact OD1-N 3.27Å; Y247-K249 PolarHBondContact O-N 2.95Å; Y247-K249 VanDerWaalsContact O-N 3.11Å; Y247-F264 HydrophobicContact CD2-CB 3.92Å; Y247-F264 HydrophobicContact CE2-CB 4.22Å; Y247-N265 HydrophobicContact CD1-CB 3.64Å; Y247-N265 WeakPolarHBondContact CD1-OD1 3.41Å; Y247-N265 HydrophobicContact CD2-CB 4.37Å; Y247-N265 HydrophobicContact CE1-CB 3.94Å; Y247-N265 HydrophobicContact CG-CB 3.88Å
248	N	96.6	Very high	97	Very high	79 Å²	79	20.5 Å²	20.5	42%	0.422	10%	0.097	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.7	19.2	177.9	-59.3	-18.9	0	0	0	115.3	F246 A278	F246-N248 VanDerWaalsContact C-N 3.35Å; F246-N248 PolarHBondContact O-N 3.02Å; N248-A278 HydrophobicContact CB-CB 4.2Å; N248-A278 WeakPolarHBondContact CB-O 3.46Å; N248-A278 PolarHBondContact O-N 3.38Å
249	K	97.9	Very high	97.4	Very high	68 Å²	68	22 Å²	22	30%	0.296	11%	0.106	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	136.4	178.8	-66.5	170.7	-176.2	171.8	0	110.2	Y245 F246 Y247 Y251 P274 T277	Y245-K249 WeakPolarHBondContact CA-O 3.1Å; Y245-K249 VanDerWaalsContact CD2-O 3.29Å; Y245-K249 WeakPolarHBondContact CD2-O 3.28Å; F246-K249 PolarHBondContact N-O 2.72Å; F246-K249 PolarHBondContact O-N 2.83Å; F246-K249 VanDerWaalsContact O-N 3.07Å; Y247-K249 PolarHBondContact O-N 2.95Å; Y247-K249 VanDerWaalsContact O-N 3.11Å; K249-Y251 HydrophobicContact CB-CD2 4.39Å; K249-Y251 HydrophobicContact CB-CE1 4.23Å; K249-Y251 HydrophobicContact CB-CE2 3.73Å; K249-Y251 HydrophobicContact CD-CE1 4.29Å; K249-Y251 WeakPolarHBondContact CD-OH 3.17Å; K249-P274 HydrophobicContact CB-CB 4.46Å; K249-P274 HydrophobicContact CD-CG 4.34Å; K249-P274 HydrophobicContact CG-CG 4.48Å; K249-T277 HydrophobicContact CG-CG2 4.43Å
250	L	98.4	Very high	97.6	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	122.4	169.3	-172.2	72.8	0	0	0	108.7	V208 I233 I239 C243 Y245 P274 L275 A276	V208-L250 HydrophobicContact CG1-CD1 4.07Å; I233-L250 HydrophobicContact CD1-CB 4.02Å; I233-L250 HydrophobicContact CD1-CD1 3.92Å; I233-L250 HydrophobicContact CD1-CD2 4.21Å; I233-L250 HydrophobicContact CD1-CG 4.27Å; I233-L250 HydrophobicContact CG2-CD1 4.13Å; I233-L250 HydrophobicContact CG2-CD2 3.81Å; I239-L250 HydrophobicContact CD1-CD2 3.5Å; C243-L250 HydrophobicContact CB-CD1 3.54Å; C243-L250 HydrophobicContact CB-CD2 4.5Å; C243-L250 HydrophobicContact CB-CG 4.03Å; Y245-L250 HydrophobicContact CD2-CB 4.13Å; Y245-L250 HydrophobicContact CD2-CD1 4.16Å; L250-P274 CarbonylContact O-C 3.47Å; L250-P274 WeakPolarHBondContact O-CA 3.45Å; L250-P274 WeakPolarHBondContact O-CB 3.41Å; L250-L275 HydrophobicContact CD2-CB 4.26Å; L250-L275 HydrophobicContact CG-CB 4.49Å; L250-L275 PolarHBondContact O-N 3.23Å; L250-A276 HydrophobicContact CB-CB 3.86Å; L250-A276 HydrophobicContact CD2-CB 4.17Å; L250-A276 PolarHBondContact N-O 3.02Å; L250-A276 PolarHBondContact O-N 3.22Å
251	Y	98.4	Very high	97.6	Very high	7 Å²	7	28.2 Å²	28.2	3%	0.027	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	154.6	177.7	-56	-79.2	0	0	0	110.9	C243 L244 K249 G253 V256 F267 P274	C243-Y251 CarbonylContact C-O 3.47Å; C243-Y251 WeakPolarHBondContact CA-O 3.36Å; C243-Y251 WeakPolarHBondContact CB-O 3.36Å; L244-Y251 HydrophobicContact CD2-CD2 4.18Å; L244-Y251 PolarHBondContact N-O 2.89Å; L244-Y251 PolarHBondContact O-N 3.05Å; K249-Y251 HydrophobicContact CB-CD2 4.39Å; K249-Y251 HydrophobicContact CB-CE1 4.23Å; K249-Y251 HydrophobicContact CB-CE2 3.73Å; K249-Y251 HydrophobicContact CD-CE1 4.29Å; K249-Y251 WeakPolarHBondContact CD-OH 3.17Å; Y251-G253 PolarHBondContact O-N 3.26Å; Y251-V256 HydrophobicContact CD2-CG2 4.21Å; Y251-V256 HydrophobicContact CG-CG2 3.8Å; Y251-F267 PolarHBondContact OH-O 2.85Å; Y251-P274 HydrophobicContact CD1-CB 4.18Å; Y251-P274 HydrophobicContact CD1-CG 4.12Å; Y251-P274 HydrophobicContact CE1-CB 4.25Å; Y251-P274 HydrophobicContact CE1-CG 3.77Å
252	R	98.4	Very high	97.4	Very high	9 Å²	9	32.8 Å²	32.8	3%	0.034	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	123.8	163.7	171.9	172.1	-67.7	144	16	108.7	E241 N254 R255 V256 L272 L275 T288 W290 G429	E241-R252 IonicContact OE1-CZ 3.75Å; E241-R252 IonicContact OE1-NE 3.19Å; E241-R252 IonicContact OE1-NH2 2.81Å; E241-R252 PolarHBondContact OE1-NH2 2.84Å; E241-R252 WeakPolarHBondContact OE2-CG 3.36Å; E241-R252 IonicContact OE2-CZ 3.64Å; E241-R252 IonicContact OE2-NE 2.7Å; E241-R252 PolarHBondContact OE2-NE 3.03Å; E241-R252 IonicContact OE2-NH2 3.24Å; E241-R252 PolarHBondContact OE2-NH2 3.27Å; R252-N254 WeakPolarHBondContact CD-OD1 3.47Å; R252-N254 WeakPolarHBondContact CG-OD1 3.1Å; R252-N254 PolarHBondContact O-N 2.94Å; R252-R255 HydrophobicContact CB-CB 4.17Å; R252-R255 HydrophobicContact CB-CG 4.14Å; R252-R255 HydrophobicContact CG-CB 4.3Å; R252-R255 HydrophobicContact CG-CG 3.91Å; R252-R255 PolarHBondContact O-N 3.39Å; R252-V256 WeakPolarHBondContact O-CG2 3.41Å; R252-L272 HydrophobicContact CB-CD2 3.92Å; R252-L275 HydrophobicContact CB-CD1 4.05Å; R252-L275 HydrophobicContact CB-CD2 4.45Å; R252-L275 HydrophobicContact CB-CG 4.29Å; R252-T288 PolarHBondContact NH2-O 3.48Å; R252-W290 VanDerWaalsContact NH2-CB 3.3Å; R252-W290 VanDerWaalsContact NH2-N 3.18Å; R252-G429 VanDerWaalsContact CD-O 3.3Å; R252-G429 WeakPolarHBondContact CD-O 3.44Å; R252-G429 PolarHBondContact NH1-O 2.92Å; R252-G429 VanDerWaalsContact NH1-O 3.12Å
253	G	98.1	Very high	97.3	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-57.6	-44.1	-170.6	0	0	0	0	0	114.2	V242 Y251 R255 V256	V242-G253 WeakPolarHBondContact O-CA 3.45Å; V242-G253 PolarHBondContact O-N 2.82Å; Y251-G253 PolarHBondContact O-N 3.26Å; G253-R255 PolarHBondContact O-N 3.15Å; G253-R255 VanDerWaalsContact O-N 3.16Å; G253-V256 PolarHBondContact O-N 2.68Å
254	N	98.1	Very high	97.1	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-79	14.9	178.2	69	20	0	0	0	114.4	S197 R252 A400 R428 E430	S197-N254 PolarHBondContact OG-ND2 2.96Å; R252-N254 WeakPolarHBondContact CD-OD1 3.47Å; R252-N254 WeakPolarHBondContact CG-OD1 3.1Å; R252-N254 PolarHBondContact O-N 2.94Å; N254-A400 HydrophobicContact CB-CB 4.31Å; N254-A400 WeakPolarHBondContact O-CB 3.2Å; N254-R428 WeakPolarHBondContact ND2-CB 3.32Å; N254-R428 PolarHBondContact ND2-O 2.95Å; N254-E430 HydrophobicContact CB-CB 4.12Å; N254-E430 WeakPolarHBondContact OD1-CA 3.44Å
255	R	98.1	Very high	97	Very high	7 Å²	7	39.7 Å²	39.7	3%	0.026	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-123.8	8.3	174.9	-69.7	-73	-157.6	149	5.2	112	R252 G253 S269 P270 L272 D395 G429 E430 M431 S432	R252-R255 HydrophobicContact CB-CB 4.17Å; R252-R255 HydrophobicContact CB-CG 4.14Å; R252-R255 HydrophobicContact CG-CB 4.3Å; R252-R255 HydrophobicContact CG-CG 3.91Å; R252-R255 PolarHBondContact O-N 3.39Å; G253-R255 PolarHBondContact O-N 3.15Å; G253-R255 VanDerWaalsContact O-N 3.16Å; R255-S269 VanDerWaalsContact CB-OG 3.29Å; R255-S269 WeakPolarHBondContact CB-OG 3.29Å; R255-S269 VanDerWaalsContact O-CA 3.26Å; R255-S269 WeakPolarHBondContact O-CA 3.43Å; R255-S269 WeakPolarHBondContact O-CB 3.42Å; R255-S269 PolarHBondContact O-OG 3.04Å; R255-P270 WeakPolarHBondContact O-CD 3.43Å; R255-L272 HydrophobicContact CB-CB 4.34Å; R255-L272 HydrophobicContact CB-CD2 4.46Å; R255-L272 HydrophobicContact CG-CB 4.18Å; R255-L272 HydrophobicContact CG-CD2 3.94Å; R255-D395 IonicContact CZ-OD2 3.06Å; R255-D395 IonicContact NH1-OD1 2.68Å; R255-D395 PolarHBondContact NH1-OD1 2.89Å; R255-D395 IonicContact NH1-OD2 3.76Å; R255-D395 PolarHBondContact NH1-OD2 3.06Å; R255-D395 IonicContact NH2-OD2 2.69Å; R255-G429 PolarHBondContact NE-O 2.6Å; R255-G429 PolarHBondContact NH2-O 2.69Å; R255-E430 VanDerWaalsContact CD-O 3.25Å; R255-E430 WeakPolarHBondContact CD-O 3.25Å; R255-E430 VanDerWaalsContact CZ-O 3.28Å; R255-E430 PolarHBondContact NE-O 3.34Å; R255-M431 PolarHBondContact NH2-O 3.35Å; R255-S432 VanDerWaalsContact NH2-N 3.12Å; R255-S432 PolarHBondContact NH2-OG 2.98Å; R255-S432 VanDerWaalsContact NH2-OG 3.11Å
256	V	97.9	Very high	96.9	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.219	C	C	.	.			trans	-105.2	143.6	-174.9	174.8	0	0	0	0	110.8	A190 L244 Y251 R252 G253 F267 T268	A190-V256 WeakPolarHBondContact CB-O 3.47Å; L244-V256 HydrophobicContact CB-CG2 4.31Å; L244-V256 HydrophobicContact CD1-CB 4.37Å; L244-V256 HydrophobicContact CD1-CG1 3.84Å; L244-V256 HydrophobicContact CD2-CG1 4.39Å; Y251-V256 HydrophobicContact CD2-CG2 4.21Å; Y251-V256 HydrophobicContact CG-CG2 3.8Å; R252-V256 WeakPolarHBondContact O-CG2 3.41Å; G253-V256 PolarHBondContact O-N 2.68Å; V256-F267 HydrophobicContact CG1-CB 3.74Å; V256-F267 HydrophobicContact CG1-CD1 3.5Å; V256-F267 HydrophobicContact CG1-CE1 4.45Å; V256-F267 HydrophobicContact CG1-CG 3.96Å; V256-T268 WeakPolarHBondContact CA-O 3.35Å
257	T	98	Very high	97	Very high	24 Å²	24	39.5 Å²	39.5	15%	0.147	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	148.2	165.3	175.8	0	0	0	0	109.3	V259 T268 P270 L371 E399	T257-V259 HydrophobicContact CG2-CG1 3.96Å; T257-T268 HydrophobicContact CG2-CG2 4.03Å; T257-T268 PolarHBondContact N-O 3.19Å; T257-T268 VanDerWaalsContact N-O 3.07Å; T257-T268 PolarHBondContact O-N 3.32Å; T257-T268 VanDerWaalsContact O-N 3.11Å; T257-P270 HydrophobicContact CG2-CG 4.46Å; T257-L371 HydrophobicContact CG2-CD1 3.53Å; T257-E399 WeakPolarHBondContact CB-OE1 3.33Å; T257-E399 PolarHBondContact OG1-OE1 3.07Å
258	K	98	Very high	97	Very high	50 Å²	50	36 Å²	36	22%	0.217	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	130.2	169.5	-162.5	-174	-171	-169.4	0	108.2	T186 D187 F267	T186-K258 WeakPolarHBondContact O-CD 3.48Å; T186-K258 PolarHBondContact OG1-NZ 3.38Å; D187-K258 IonicContact OD1-NZ 3.51Å; D187-K258 PolarHBondContact OD1-NZ 3.02Å; K258-F267 HydrophobicContact CB-CD1 4.02Å; K258-F267 HydrophobicContact CB-CE1 3.76Å; K258-F267 HydrophobicContact CG-CD1 4.32Å; K258-F267 HydrophobicContact CG-CE1 3.98Å; K258-F267 HydrophobicContact CG-CZ 4.35Å
259	V	97.1	Very high	97	Very high	71 Å²	71	32.8 Å²	32.8	43%	0.43	19%	0.194	S	C	.	.			trans	-122.8	-16.9	-177.2	-67.8	0	0	0	0	113.7	T257 A266 T268 L371	T257-V259 HydrophobicContact CG2-CG1 3.96Å; V259-A266 PolarHBondContact N-O 3.24Å; V259-T268 HydrophobicContact CB-CG2 4.41Å; V259-T268 HydrophobicContact CG1-CG2 3.43Å; V259-T268 VanDerWaalsContact CG1-CG2 3.43Å; V259-T268 HydrophobicContact CG2-CG2 4.11Å; V259-L371 HydrophobicContact CG1-CD1 3.85Å; V259-L371 HydrophobicContact CG1-CD2 4.14Å
260	D	96.8	Very high	96.8	Very high	69 Å²	69	30.6 Å²	30.6	37%	0.369	19%	0.186	S	C	.	.			trans	-138.6	131.5	179.8	-162.6	-48.4	0	0	0	110.3	Q213 S262 S263 A266	Q213-D260 PolarHBondContact NE2-O 3.12Å; D260-S262 PolarHBondContact OD1-N 2.8Å; D260-S263 WeakPolarHBondContact OD1-CB 3.38Å; D260-S263 PolarHBondContact OD1-N 2.77Å; D260-S263 VanDerWaalsContact OD2-CB 3.24Å; D260-S263 WeakPolarHBondContact OD2-CB 3.49Å; D260-A266 PolarHBondContact N-O 2.9Å
261	A	93.7	Very high	96.5	Very high	74 Å²	74	32.4 Å²	32.4	61%	0.612	20%	0.196	S	C	*	.	S	Bend	trans	-87.9	-14.6	-178.1	0	0	0	0	0	113.3
262	S	92	Very high	96.3	Very high	105 Å²	105	33.2 Å²	33.2	73%	0.734	20%	0.201	S	C	*	.	S	Bend	trans	-126.1	-31	-171.4	-56.1	0	0	0	0	113.3	D260	D260-S262 PolarHBondContact OD1-N 2.8Å
263	S	95.3	Very high	96	Very high	47 Å²	47	36.1 Å²	36.1	33%	0.329	22%	0.221	S	C	.	.	S	Bend	trans	-70	145.2	177.2	-175.9	0	0	0	0	111.7	Q213 D260 N265 A266	Q213-S263 WeakPolarHBondContact CG-O 3.28Å; Q213-S263 PolarHBondContact NE2-O 3.38Å; D260-S263 WeakPolarHBondContact OD1-CB 3.38Å; D260-S263 PolarHBondContact OD1-N 2.77Å; D260-S263 VanDerWaalsContact OD2-CB 3.24Å; D260-S263 WeakPolarHBondContact OD2-CB 3.49Å; S263-N265 PolarHBondContact O-N 3.33Å; S263-N265 PolarHBondContact OG-N 3.07Å; S263-N265 VanDerWaalsContact OG-N 3.13Å; S263-A266 PolarHBondContact O-N 3.02Å
264	F	95.4	Very high	95.8	Very high	49 Å²	49	37.9 Å²	37.9	22%	0.215	23%	0.232	C	C	.	.	S	Bend	trans	-64.2	-24.3	167.9	-64.8	-19.9	0	0	0	111.9	Q213 V214 D222 F246 Y247 A266	Q213-F264 HydrophobicContact CB-CD1 4.08Å; Q213-F264 HydrophobicContact CB-CE1 4.29Å; Q213-F264 HydrophobicContact CG-CD1 4.32Å; V214-F264 HydrophobicContact CG2-CE1 3.94Å; V214-F264 HydrophobicContact CG2-CZ 4.41Å; D222-F264 HydrophobicContact CB-CB 4.25Å; D222-F264 HydrophobicContact CB-CD1 3.71Å; D222-F264 HydrophobicContact CB-CD2 4.04Å; D222-F264 HydrophobicContact CB-CE1 3.96Å; D222-F264 HydrophobicContact CB-CE2 4.27Å; D222-F264 HydrophobicContact CB-CG 3.76Å; D222-F264 HydrophobicContact CB-CZ 4.23Å; F246-F264 WeakPolarHBondContact CD1-O 3.27Å; F246-F264 WeakPolarHBondContact CE1-O 3.39Å; Y247-F264 HydrophobicContact CD2-CB 3.92Å; Y247-F264 HydrophobicContact CE2-CB 4.22Å; F264-A266 PolarHBondContact O-N 2.88Å; F264-A266 VanDerWaalsContact O-N 3.08Å
265	N	96.3	Very high	95.6	Very high	54 Å²	54	37.9 Å²	37.9	29%	0.289	23%	0.232	S	C	.	.			trans	-86	61.2	169.7	-171.9	42.3	0	0	0	110.4	Y247 S263 F267	Y247-N265 HydrophobicContact CD1-CB 3.64Å; Y247-N265 WeakPolarHBondContact CD1-OD1 3.41Å; Y247-N265 HydrophobicContact CD2-CB 4.37Å; Y247-N265 HydrophobicContact CE1-CB 3.94Å; Y247-N265 HydrophobicContact CG-CB 3.88Å; S263-N265 PolarHBondContact O-N 3.33Å; S263-N265 PolarHBondContact OG-N 3.07Å; S263-N265 VanDerWaalsContact OG-N 3.13Å; N265-F267 PolarHBondContact O-N 3.33Å
266	A	96.8	Very high	95.4	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	23%	0.232	C	C	.	.			trans	-72.9	-24.6	-168.7	0	0	0	0	0	114.7	F246 V259 D260 S263 F264	F246-A266 HydrophobicContact CD1-CB 4.31Å; F246-A266 HydrophobicContact CE1-CB 4Å; V259-A266 PolarHBondContact N-O 3.24Å; D260-A266 PolarHBondContact N-O 2.9Å; S263-A266 PolarHBondContact O-N 3.02Å; F264-A266 PolarHBondContact O-N 2.88Å; F264-A266 VanDerWaalsContact O-N 3.08Å
267	F	98.2	Very high	95.1	Very high	1 Å²	1	39.5 Å²	39.5	0%	0.004	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	148.8	-170	-67.6	-79.7	0	0	0	111.6	T186 M189 L244 F246 Y251 V256 K258 N265	T186-F267 HydrophobicContact CG2-CE2 4.15Å; T186-F267 HydrophobicContact CG2-CZ 4.41Å; T186-F267 WeakPolarHBondContact O-CZ 3.34Å; M189-F267 HydrophobicContact CB-CE1 4.15Å; M189-F267 HydrophobicContact CB-CZ 3.78Å; M189-F267 HydrophobicContact CE-CZ 4.49Å; M189-F267 HydrophobicContact CG-CZ 4.42Å; M189-F267 HydrophobicContact SD-CE2 4.04Å; M189-F267 HydrophobicContact SD-CZ 3.93Å; L244-F267 HydrophobicContact CD1-CD1 4.09Å; L244-F267 HydrophobicContact CD1-CE1 4.08Å; L244-F267 HydrophobicContact CD1-CG 4.33Å; L244-F267 HydrophobicContact CD1-CZ 4.33Å; L244-F267 HydrophobicContact CD2-CB 4.1Å; L244-F267 HydrophobicContact CD2-CD1 4.49Å; L244-F267 HydrophobicContact CD2-CD2 3.91Å; L244-F267 HydrophobicContact CD2-CE2 4.45Å; L244-F267 HydrophobicContact CD2-CG 3.92Å; F246-F267 HydrophobicContact CB-CD2 4.07Å; F246-F267 HydrophobicContact CD1-CD2 4.09Å; F246-F267 AromaticContact CD2-CD2 3.98Å; F246-F267 HydrophobicContact CD2-CD2 3.98Å; F246-F267 AromaticContact CD2-CE2 3.94Å; F246-F267 HydrophobicContact CD2-CE2 3.94Å; F246-F267 HydrophobicContact CE2-CD2 4.42Å; F246-F267 HydrophobicContact CE2-CE2 4.02Å; F246-F267 AromaticContact CG-CD2 3.78Å; F246-F267 HydrophobicContact CG-CD2 3.78Å; F246-F267 HydrophobicContact CG-CE2 4.2Å; F246-F267 HydrophobicContact CZ-CE2 4.38Å; Y251-F267 PolarHBondContact OH-O 2.85Å; V256-F267 HydrophobicContact CG1-CB 3.74Å; V256-F267 HydrophobicContact CG1-CD1 3.5Å; V256-F267 HydrophobicContact CG1-CE1 4.45Å; V256-F267 HydrophobicContact CG1-CG 3.96Å; K258-F267 HydrophobicContact CB-CD1 4.02Å; K258-F267 HydrophobicContact CB-CE1 3.76Å; K258-F267 HydrophobicContact CG-CD1 4.32Å; K258-F267 HydrophobicContact CG-CE1 3.98Å; K258-F267 HydrophobicContact CG-CZ 4.35Å; N265-F267 PolarHBondContact O-N 3.33Å
268	T	97.4	Very high	94.7	Very high	41 Å²	41	39.1 Å²	39.1	25%	0.252	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	156.7	171.1	-162.4	0	0	0	0	110.9	V256 T257 V259 L371	V256-T268 WeakPolarHBondContact CA-O 3.35Å; T257-T268 HydrophobicContact CG2-CG2 4.03Å; T257-T268 PolarHBondContact N-O 3.19Å; T257-T268 VanDerWaalsContact N-O 3.07Å; T257-T268 PolarHBondContact O-N 3.32Å; T257-T268 VanDerWaalsContact O-N 3.11Å; V259-T268 HydrophobicContact CB-CG2 4.41Å; V259-T268 HydrophobicContact CG1-CG2 3.43Å; V259-T268 VanDerWaalsContact CG1-CG2 3.43Å; V259-T268 HydrophobicContact CG2-CG2 4.11Å; T268-L371 HydrophobicContact CG2-CD1 4.19Å; T268-L371 HydrophobicContact CG2-CD2 4.45Å
269	S	97.3	Very high	94.1	Very high	13 Å²	13	42.7 Å²	42.7	9%	0.091	26%	0.26	C	S	.	.			trans	-113.5	101.2	164.9	-169.3	0	0	0	0	108.5	R255 L272	R255-S269 VanDerWaalsContact CB-OG 3.29Å; R255-S269 WeakPolarHBondContact CB-OG 3.29Å; R255-S269 VanDerWaalsContact O-CA 3.26Å; R255-S269 WeakPolarHBondContact O-CA 3.43Å; R255-S269 WeakPolarHBondContact O-CB 3.42Å; R255-S269 PolarHBondContact O-OG 3.04Å; S269-L272 VanDerWaalsContact CB-O 3.24Å; S269-L272 WeakPolarHBondContact CB-O 3.11Å; S269-L272 VanDerWaalsContact O-O 3.06Å; S269-L272 PolarHBondContact OG-O 3.15Å; S269-L272 VanDerWaalsContact OG-O 3.1Å
270	P	93.6	Very high	93.2	Very high	21 Å²	21	45.1 Å²	45.1	14%	0.136	28%	0.275	C	S	.	.	S	Bend	trans	-77.6	-30.9	-163.6	27	-33.1	0	0	0	113.8	R255 T257 L371 R372	R255-P270 WeakPolarHBondContact O-CD 3.43Å; T257-P270 HydrophobicContact CG2-CG 4.46Å; P270-L371 HydrophobicContact CB-CD1 4.27Å; P270-L371 HydrophobicContact CB-CG 4.11Å; P270-L371 WeakPolarHBondContact CB-O 3.29Å; P270-L371 HydrophobicContact CG-CD1 4.3Å; P270-L371 WeakPolarHBondContact CG-O 3.48Å; P270-R372 HydrophobicContact CB-CB 4.33Å
271	N	92.3	Very high	92.3	Very high	39 Å²	39	45.6 Å²	45.6	21%	0.209	28%	0.277	C	S	.	.	S	Bend	trans	-111.1	-0.8	-174.4	-63.4	-38.9	0	0	0	113.3	R372 G373 D395	N271-R372 WeakPolarHBondContact OD1-CG 3.4Å; N271-G373 PolarHBondContact ND2-O 2.87Å; N271-G373 PolarHBondContact OD1-N 3.19Å; N271-D395 HydrophobicContact CB-CB 4.08Å; N271-D395 PolarHBondContact ND2-O 3.29Å
272	L	92.9	Very high	91.7	Very high	23 Å²	23	44.1 Å²	44.1	12%	0.12	26%	0.257	C	S	.	.	S	Bend	trans	-138.1	133.7	175.4	-170.9	76.5	0	0	0	109.5	R252 R255 S269	R252-L272 HydrophobicContact CB-CD2 3.92Å; R255-L272 HydrophobicContact CB-CB 4.34Å; R255-L272 HydrophobicContact CB-CD2 4.46Å; R255-L272 HydrophobicContact CG-CB 4.18Å; R255-L272 HydrophobicContact CG-CD2 3.94Å; S269-L272 VanDerWaalsContact CB-O 3.24Å; S269-L272 WeakPolarHBondContact CB-O 3.11Å; S269-L272 VanDerWaalsContact O-O 3.06Å; S269-L272 PolarHBondContact OG-O 3.15Å; S269-L272 VanDerWaalsContact OG-O 3.1Å
273	P	92.3	Very high	91.3	Very high	70 Å²	70	44.9 Å²	44.9	46%	0.455	25%	0.247	S	C	.	.			trans	-63.7	158	173.3	28	-35	0	0	0	111.4	T288	P273-T288 HydrophobicContact CG-CG2 4.41Å
274	P	95.3	Very high	90.7	Very high	38 Å²	38	44 Å²	44	25%	0.247	24%	0.238	C	C	.	.			trans	-51.9	142	171.8	-22.2	30.7	0	0	0	111.9	K249 L250 Y251 A276 T277	K249-P274 HydrophobicContact CB-CB 4.46Å; K249-P274 HydrophobicContact CD-CG 4.34Å; K249-P274 HydrophobicContact CG-CG 4.48Å; L250-P274 CarbonylContact O-C 3.47Å; L250-P274 WeakPolarHBondContact O-CA 3.45Å; L250-P274 WeakPolarHBondContact O-CB 3.41Å; Y251-P274 HydrophobicContact CD1-CB 4.18Å; Y251-P274 HydrophobicContact CD1-CG 4.12Å; Y251-P274 HydrophobicContact CE1-CB 4.25Å; Y251-P274 HydrophobicContact CE1-CG 3.77Å; P274-A276 VanDerWaalsContact C-N 3.29Å; P274-T277 HydrophobicContact CB-CG2 4.46Å
275	L	93.5	Very high	90.1	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.243	C	C	.	.	S	Bend	trans	-68.7	-31.8	172.6	-61.5	-178.2	0	0	0	111.3	I239 L250 R252 N285	I239-L275 HydrophobicContact CG2-CD1 4.47Å; L250-L275 HydrophobicContact CD2-CB 4.26Å; L250-L275 HydrophobicContact CG-CB 4.49Å; L250-L275 PolarHBondContact O-N 3.23Å; R252-L275 HydrophobicContact CB-CD1 4.05Å; R252-L275 HydrophobicContact CB-CD2 4.45Å; R252-L275 HydrophobicContact CB-CG 4.29Å; L275-N285 PolarHBondContact O-N 3.19Å
276	A	92.6	Very high	89.2	Confident	3 Å²	3	45.6 Å²	45.6	3%	0.025	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	153.9	173.4	0	0	0	0	0	112.6	L250 P274 K283 I284	L250-A276 HydrophobicContact CB-CB 3.86Å; L250-A276 HydrophobicContact CD2-CB 4.17Å; L250-A276 PolarHBondContact N-O 3.02Å; L250-A276 PolarHBondContact O-N 3.22Å; P274-A276 VanDerWaalsContact C-N 3.29Å; A276-K283 CarbonylContact C-O 3.52Å; A276-K283 WeakPolarHBondContact CA-O 3.48Å; A276-K283 WeakPolarHBondContact CB-O 3.44Å; A276-I284 HydrophobicContact CB-CB 4.39Å; A276-I284 HydrophobicContact CB-CG1 3.85Å
277	T	93.4	Very high	88	Confident	38 Å²	38	50.9 Å²	50.9	23%	0.233	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	134.2	167.1	58.1	0	0	0	0	110.2	K249 P274 F282 K283	K249-T277 HydrophobicContact CG-CG2 4.43Å; P274-T277 HydrophobicContact CB-CG2 4.46Å; T277-F282 WeakPolarHBondContact O-CA 3.4Å; T277-K283 PolarHBondContact N-O 2.99Å; T277-K283 PolarHBondContact O-N 3.35Å
278	A	89.3	Confident	87.2	Confident	15 Å²	15	52.5 Å²	52.5	12%	0.124	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	90.1	176.4	0	0	0	0	0	108.7	Y245 N248 F282	Y245-A278 HydrophobicContact CE2-CB 4.31Å; Y245-A278 WeakPolarHBondContact OH-CB 3.45Å; N248-A278 HydrophobicContact CB-CB 4.2Å; N248-A278 WeakPolarHBondContact CB-O 3.46Å; N248-A278 PolarHBondContact O-N 3.38Å; A278-F282 HydrophobicContact CB-CD1 3.81Å; A278-F282 HydrophobicContact CB-CE1 3.5Å; A278-F282 VanDerWaalsContact CB-CE1 3.5Å; A278-F282 HydrophobicContact CB-CZ 4.2Å
279	E	84.6	Confident	86.6	Confident	125 Å²	125	50.7 Å²	50.7	58%	0.584	27%	0.271	S	S	*	.	S	Bend	trans	-101.4	-135.1	174.1	-65.8	177.2	-177.9	0	0	108.9	D281 K283	E279-D281 PolarHBondContact N-O 3.09Å; E279-D281 PolarHBondContact O-N 3.16Å; E279-K283 IonicContact OE2-NZ 3.79Å; E279-K283 PolarHBondContact OE2-NZ 3.29Å
280	V	78.7	Confident	85.9	Confident	122 Å²	122	54 Å²	54	74%	0.739	28%	0.281	S	S	*	.	S	Bend	trans	-58.8	-37.6	167.8	178.6	0	0	0	0	110.7
281	D	76.8	Confident	85.2	Confident	80 Å²	80	54.7 Å²	54.7	43%	0.428	28%	0.281	S	S	.	.	S	Bend	trans	-126.3	155.3	174.6	-62.4	-65.3	0	0	0	109.2	E279 K283	E279-D281 PolarHBondContact N-O 3.09Å; E279-D281 PolarHBondContact O-N 3.16Å; D281-K283 PolarHBondContact O-N 3.48Å
282	F	83	Confident	84.2	Confident	43 Å²	43	54.5 Å²	54.5	19%	0.189	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	115.6	169	-72.8	-85.5	0	0	0	109.9	L138 L232 I233 F237 T277 A278	L138-F282 HydrophobicContact CD1-CD2 3.99Å; L138-F282 HydrophobicContact CD1-CE2 4.27Å; L232-F282 HydrophobicContact CB-CE2 4.11Å; L232-F282 HydrophobicContact CB-CZ 3.88Å; L232-F282 HydrophobicContact CD1-CE2 4.13Å; L232-F282 HydrophobicContact CD1-CZ 4.04Å; I233-F282 HydrophobicContact CD1-CD1 4.29Å; I233-F282 HydrophobicContact CD1-CE1 3.86Å; I233-F282 HydrophobicContact CG1-CD1 4.02Å; I233-F282 HydrophobicContact CG1-CE1 3.61Å; I233-F282 HydrophobicContact CG1-CZ 4.31Å; F237-F282 HydrophobicContact CE2-CB 4.04Å; F237-F282 HydrophobicContact CE2-CD2 4.17Å; F237-F282 AromaticContact CE2-CG 4Å; F237-F282 HydrophobicContact CE2-CG 4Å; F237-F282 HydrophobicContact CZ-CB 3.85Å; F237-F282 HydrophobicContact CZ-CD2 4.38Å; F237-F282 HydrophobicContact CZ-CG 4.24Å; T277-F282 WeakPolarHBondContact O-CA 3.4Å; A278-F282 HydrophobicContact CB-CD1 3.81Å; A278-F282 HydrophobicContact CB-CE1 3.5Å; A278-F282 VanDerWaalsContact CB-CE1 3.5Å; A278-F282 HydrophobicContact CB-CZ 4.2Å
283	K	83.3	Confident	83.3	Confident	120 Å²	120	58.7 Å²	58.7	52%	0.522	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	106.3	172.9	-67.2	174	-179.9	166.3	0	108.6	A276 T277 E279 D281	A276-K283 CarbonylContact C-O 3.52Å; A276-K283 WeakPolarHBondContact CA-O 3.48Å; A276-K283 WeakPolarHBondContact CB-O 3.44Å; T277-K283 PolarHBondContact N-O 2.99Å; T277-K283 PolarHBondContact O-N 3.35Å; E279-K283 IonicContact OE2-NZ 3.79Å; E279-K283 PolarHBondContact OE2-NZ 3.29Å; D281-K283 PolarHBondContact O-N 3.48Å
284	I	83	Confident	82.6	Confident	28 Å²	28	57.5 Å²	57.5	14%	0.144	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	129.4	179.4	-57.6	170.1	0	0	0	109.3	F237 I239 A276 W286 V289	F237-I284 HydrophobicContact CB-CD1 4.02Å; F237-I284 HydrophobicContact CD1-CD1 3.18Å; F237-I284 HydrophobicContact CD2-CD1 3.81Å; F237-I284 HydrophobicContact CE1-CD1 3.41Å; F237-I284 VanDerWaalsContact CE1-CD1 3.41Å; F237-I284 HydrophobicContact CE2-CD1 4.03Å; F237-I284 HydrophobicContact CG-CD1 3.38Å; F237-I284 HydrophobicContact CZ-CD1 3.83Å; I239-I284 HydrophobicContact CD1-CD1 4.3Å; I239-I284 HydrophobicContact CD1-CG2 4.35Å; A276-I284 HydrophobicContact CB-CB 4.39Å; A276-I284 HydrophobicContact CB-CG1 3.85Å; I284-W286 HydrophobicContact CB-CD2 4.41Å; I284-W286 HydrophobicContact CB-CZ2 4.21Å; I284-W286 HydrophobicContact CD1-CH2 4.1Å; I284-W286 HydrophobicContact CD1-CZ2 3.59Å; I284-W286 HydrophobicContact CG2-CD2 3.68Å; I284-W286 HydrophobicContact CG2-CE3 4Å; I284-W286 HydrophobicContact CG2-CG 4.13Å; I284-W286 HydrophobicContact CG2-CH2 4.23Å; I284-W286 HydrophobicContact CG2-CZ2 3.92Å; I284-W286 HydrophobicContact CG2-CZ3 4.26Å; I284-W286 PolarHBondContact O-N 3.42Å; I284-V289 HydrophobicContact CG2-CG2 4.41Å
285	N	81.4	Confident	81.8	Confident	59 Å²	59	57.9 Å²	57.9	32%	0.316	30%	0.301	S	S	.	.			trans	-87.7	86.1	172.1	-172.6	-13.8	0	0	0	109.6	L275 D287 T288 V289	L275-N285 PolarHBondContact O-N 3.19Å; N285-D287 PolarHBondContact O-N 3.07Å; N285-D287 PolarHBondContact OD1-N 2.98Å; N285-T288 WeakPolarHBondContact ND2-CG2 3.41Å; N285-T288 PolarHBondContact O-N 3.36Å; N285-T288 PolarHBondContact O-OG1 3.49Å; N285-T288 PolarHBondContact OD1-N 2.8Å; N285-V289 PolarHBondContact O-N 3.48Å
286	W	78.4	Confident	81.5	Confident	79 Å²	79	59.8 Å²	59.8	30%	0.299	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-21.3	-176.7	-67.5	108.7	0	0	0	114.1	F237 I239 I284 T288 V289 R291 R498 L499	F237-W286 HydrophobicContact CB-CH2 4.35Å; F237-W286 HydrophobicContact CD1-CZ2 4.29Å; I239-W286 HydrophobicContact CG1-CH2 4.11Å; I239-W286 HydrophobicContact CG1-CZ3 4.01Å; I284-W286 HydrophobicContact CB-CD2 4.41Å; I284-W286 HydrophobicContact CB-CZ2 4.21Å; I284-W286 HydrophobicContact CD1-CH2 4.1Å; I284-W286 HydrophobicContact CD1-CZ2 3.59Å; I284-W286 HydrophobicContact CG2-CD2 3.68Å; I284-W286 HydrophobicContact CG2-CE3 4Å; I284-W286 HydrophobicContact CG2-CG 4.13Å; I284-W286 HydrophobicContact CG2-CH2 4.23Å; I284-W286 HydrophobicContact CG2-CZ2 3.92Å; I284-W286 HydrophobicContact CG2-CZ3 4.26Å; I284-W286 PolarHBondContact O-N 3.42Å; W286-T288 VanDerWaalsContact C-N 3.34Å; W286-V289 HydrophobicContact CE3-CB 4.44Å; W286-V289 HydrophobicContact CE3-CG2 4.11Å; W286-V289 PolarHBondContact O-N 3.36Å; W286-R291 VanDerWaalsContact CZ3-NH2 3.34Å; W286-R498 PolarHBondContact O-NH2 3.14Å; W286-R498 VanDerWaalsContact O-NH2 3.15Å; W286-L499 HydrophobicContact CB-CD2 4.46Å
287	D	71.3	Confident	81.4	Confident	111 Å²	111	64.1 Å²	64.1	59%	0.594	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-34.2	178.1	-64.4	-25.3	0	0	0	111.6	N285	N285-D287 PolarHBondContact O-N 3.07Å; N285-D287 PolarHBondContact OD1-N 2.98Å
288	T	80.6	Confident	81.4	Confident	34 Å²	34	63.2 Å²	63.2	21%	0.209	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-20.4	178.3	59.5	0	0	0	0	112.9	R252 P273 N285 W286 W290	R252-T288 PolarHBondContact NH2-O 3.48Å; P273-T288 HydrophobicContact CG-CG2 4.41Å; N285-T288 WeakPolarHBondContact ND2-CG2 3.41Å; N285-T288 PolarHBondContact O-N 3.36Å; N285-T288 PolarHBondContact O-OG1 3.49Å; N285-T288 PolarHBondContact OD1-N 2.8Å; W286-T288 VanDerWaalsContact C-N 3.34Å; T288-W290 PolarHBondContact O-N 3.44Å
289	V	85	Confident	81.7	Confident	4 Å²	4	66.9 Å²	66.9	2%	0.024	34%	0.342	C	S	.	.			trans	-61.4	120.4	179.4	173.8	0	0	0	0	110.9	I239 E241 I284 N285 W286 R291 R498	I239-V289 HydrophobicContact CG2-CG1 4.14Å; I239-V289 HydrophobicContact CG2-CG2 4.3Å; E241-V289 VanDerWaalsContact OE1-CA 3.32Å; E241-V289 WeakPolarHBondContact OE1-CA 3.26Å; I284-V289 HydrophobicContact CG2-CG2 4.41Å; N285-V289 PolarHBondContact O-N 3.48Å; W286-V289 HydrophobicContact CE3-CB 4.44Å; W286-V289 HydrophobicContact CE3-CG2 4.11Å; W286-V289 PolarHBondContact O-N 3.36Å; V289-R291 HydrophobicContact CG1-CG 4.45Å; V289-R498 PolarHBondContact O-NH1 2.83Å; V289-R498 VanDerWaalsContact O-NH1 3.12Å
290	W	83.8	Confident	82.2	Confident	83 Å²	83	61.3 Å²	61.3	31%	0.314	32%	0.317	S	S	.	.			trans	-77	136.7	176.8	-172.2	-95.5	0	0	0	110.1	E241 R252 T288 N426	E241-W290 HydrophobicContact CG-CB 4.15Å; E241-W290 PolarHBondContact OE1-N 3.19Å; R252-W290 VanDerWaalsContact NH2-CB 3.3Å; R252-W290 VanDerWaalsContact NH2-N 3.18Å; T288-W290 PolarHBondContact O-N 3.44Å; W290-N426 VanDerWaalsContact CZ3-ND2 3.33Å; W290-N426 WeakPolarHBondContact CZ3-ND2 3.44Å
291	R	78.7	Confident	83	Confident	35 Å²	35	57.8 Å²	57.8	13%	0.132	29%	0.29	C	S	.	.			trans	-135.2	140.6	172.5	-52.8	-162.3	-171.5	-105.6	-1	108.4	V238 P240 W286 V289 N293 G527	V238-R291 PolarHBondContact O-NH1 3.2Å; P240-R291 HydrophobicContact CG-CB 4.34Å; P240-R291 HydrophobicContact CG-CG 3.76Å; W286-R291 VanDerWaalsContact CZ3-NH2 3.34Å; V289-R291 HydrophobicContact CG1-CG 4.45Å; R291-N293 PolarHBondContact O-N 3.12Å; R291-G527 WeakPolarHBondContact CD-O 3.21Å
292	A	71.1	Confident	83.8	Confident	35 Å²	35	56.4 Å²	56.4	29%	0.289	29%	0.285	S	S	.	.			trans	-73.1	123.1	177.1	0	0	0	0	0	110	T294	A292-T294 HydrophobicContact CB-CG2 3.62Å; A292-T294 PolarHBondContact O-N 3Å
293	N	72.8	Confident	84.3	Confident	110 Å²	110	60 Å²	60	59%	0.588	30%	0.302	S	S	*	.			trans	-81.9	70.1	173.3	-72.5	-2.5	0	0	0	109.7	R291 N525 G527	R291-N293 PolarHBondContact O-N 3.12Å; N293-N525 WeakPolarHBondContact CB-O 3.03Å; N293-G527 WeakPolarHBondContact OD1-CA 3.35Å; N293-G527 PolarHBondContact OD1-N 2.98Å
294	T	78.3	Confident	84.9	Confident	46 Å²	46	55.3 Å²	55.3	28%	0.282	28%	0.283	S	S	.	.			trans	-151.2	152.1	-174.1	-176.2	0	0	0	0	111.5	H202 A292 A296	H202-T294 HydrophobicContact CB-CG2 4.06Å; H202-T294 WeakPolarHBondContact ND1-CG2 3.08Å; A292-T294 HydrophobicContact CB-CG2 3.62Å; A292-T294 PolarHBondContact O-N 3Å; T294-A296 HydrophobicContact CG2-CB 4.49Å; T294-A296 WeakPolarHBondContact OG1-CB 3.44Å; T294-A296 PolarHBondContact OG1-N 2.96Å
295	T	78.9	Confident	85.5	Confident	45 Å²	45	55 Å²	55	28%	0.276	28%	0.281	S	S	.	.			trans	-97	5	171.2	58.5	0	0	0	0	112.8	L524 N525 T559	T295-L524 HydrophobicContact CG2-CB 3.93Å; T295-N525 WeakPolarHBondContact CG2-OD1 3.26Å; T295-T559 HydrophobicContact CG2-CG2 3.99Å; T295-T559 WeakPolarHBondContact O-CA 3.46Å; T295-T559 VanDerWaalsContact O-CG2 3.28Å; T295-T559 WeakPolarHBondContact O-CG2 3.29Å
296	A	86.8	Confident	86.2	Confident	41 Å²	41	59 Å²	59	34%	0.339	29%	0.292	S	S	.	.	P	Polyproline II helix	trans	-72	143.2	177.7	0	0	0	0	0	110.9	H202 T294	H202-A296 WeakPolarHBondContact CD2-CB 3.29Å; H202-A296 WeakPolarHBondContact NE2-CB 3.4Å; T294-A296 HydrophobicContact CG2-CB 4.49Å; T294-A296 WeakPolarHBondContact OG1-CB 3.44Å; T294-A296 PolarHBondContact OG1-N 2.96Å
297	K	89.9	Confident	87.1	Confident	93 Å²	93	58.1 Å²	58.1	40%	0.404	29%	0.293	S	S	.	.	P	Polyproline II helix	trans	-69	149.6	173.7	-176.1	173.1	-177.4	-179.6	0	109.7	E175 Q299	E175-K297 IonicContact OE1-NZ 3.04Å; E175-K297 PolarHBondContact OE1-NZ 2.7Å; K297-Q299 PolarHBondContact O-N 3.11Å
298	F	94.1	Very high	88.3	Confident	20 Å²	20	54.2 Å²	54.2	9%	0.088	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-50.1	133.2	169.7	177.1	-111.5	0	0	0	111.6	I170 E171 Y174 C200 E201 L203 V300	I170-F298 HydrophobicContact CG2-CE1 4.19Å; I170-F298 HydrophobicContact CG2-CZ 4.04Å; E171-F298 HydrophobicContact CB-CE1 4.41Å; Y174-F298 HydrophobicContact CD1-CB 4.06Å; Y174-F298 AromaticContact CD1-CD1 3.6Å; Y174-F298 HydrophobicContact CD1-CD1 3.6Å; Y174-F298 HydrophobicContact CD1-CE1 4.38Å; Y174-F298 HydrophobicContact CD1-CG 4.03Å; Y174-F298 AromaticContact CD2-CD1 3.4Å; Y174-F298 HydrophobicContact CD2-CD1 3.4Å; Y174-F298 AromaticContact CD2-CE1 3.33Å; Y174-F298 HydrophobicContact CD2-CE1 3.33Å; Y174-F298 HydrophobicContact CD2-CG 4.09Å; Y174-F298 HydrophobicContact CD2-CZ 4Å; Y174-F298 HydrophobicContact CE1-CB 3.63Å; Y174-F298 AromaticContact CE1-CD1 3.81Å; Y174-F298 HydrophobicContact CE1-CD1 3.81Å; Y174-F298 AromaticContact CE1-CG 3.76Å; Y174-F298 HydrophobicContact CE1-CG 3.76Å; Y174-F298 AromaticContact CE2-CD1 3.62Å; Y174-F298 HydrophobicContact CE2-CD1 3.62Å; Y174-F298 HydrophobicContact CE2-CD2 4.12Å; Y174-F298 AromaticContact CE2-CE1 3.7Å; Y174-F298 HydrophobicContact CE2-CE1 3.7Å; Y174-F298 HydrophobicContact CE2-CE2 4.2Å; Y174-F298 AromaticContact CE2-CG 3.82Å; Y174-F298 HydrophobicContact CE2-CG 3.82Å; Y174-F298 AromaticContact CE2-CZ 4Å; Y174-F298 HydrophobicContact CE2-CZ 4Å; Y174-F298 AromaticContact CG-CD1 3.36Å; Y174-F298 HydrophobicContact CG-CD1 3.36Å; Y174-F298 AromaticContact CG-CE1 3.7Å; Y174-F298 HydrophobicContact CG-CE1 3.7Å; Y174-F298 HydrophobicContact CG-CG 4.17Å; Y174-F298 AromaticContact CZ-CD1 3.81Å; Y174-F298 AromaticContact CZ-CG 3.63Å; C200-F298 HydrophobicContact CB-CE2 3.81Å; C200-F298 HydrophobicContact CB-CZ 4.24Å; E201-F298 WeakPolarHBondContact O-CD2 3.33Å; L203-F298 HydrophobicContact CB-CD2 4.38Å; L203-F298 HydrophobicContact CB-CE2 4.33Å; L203-F298 HydrophobicContact CD1-CD2 4.05Å; L203-F298 HydrophobicContact CD1-CE2 3.64Å; L203-F298 HydrophobicContact CD1-CZ 4.27Å; F298-V300 HydrophobicContact CE1-CG2 3.84Å; F298-V300 HydrophobicContact CE2-CG2 4.29Å; F298-V300 HydrophobicContact CZ-CG2 3.48Å; F298-V300 VanDerWaalsContact CZ-CG2 3.48Å
299	Q	94.4	Very high	89.1	Confident	91 Å²	91	53.1 Å²	53.1	43%	0.425	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	152.3	177.4	65.6	-177.2	14.3	0	0	111	E201 K297	E201-Q299 HydrophobicContact CB-CG 3.89Å; E201-Q299 PolarHBondContact N-O 2.74Å; E201-Q299 PolarHBondContact O-N 2.97Å; E201-Q299 VanDerWaalsContact O-N 3.14Å; E201-Q299 PolarHBondContact OE2-NE2 3.41Å; K297-Q299 PolarHBondContact O-N 3.11Å
300	V	96.5	Very high	89.7	Confident	9 Å²	9	55.5 Å²	55.5	6%	0.055	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	117.4	177.9	177.6	0	0	0	0	111.5	G167 K168 E171 M199 F298 T302	G167-V300 WeakPolarHBondContact O-CG2 3.39Å; K168-V300 PolarHBondContact NZ-O 2.83Å; E171-V300 HydrophobicContact CB-CB 4.17Å; E171-V300 HydrophobicContact CB-CG2 3.8Å; E171-V300 HydrophobicContact CG-CG2 4.37Å; E171-V300 PolarHBondContact OE1-N 3.16Å; M199-V300 WeakPolarHBondContact O-CA 3.38Å; F298-V300 HydrophobicContact CE1-CG2 3.84Å; F298-V300 HydrophobicContact CE2-CG2 4.29Å; F298-V300 HydrophobicContact CZ-CG2 3.48Å; F298-V300 VanDerWaalsContact CZ-CG2 3.48Å; V300-T302 HydrophobicContact CG1-CG2 4.1Å
301	R	95	Very high	90.3	Very high	47 Å²	47	52.2 Å²	52.2	18%	0.177	27%	0.27	C	S	.	.			trans	-94.5	113.6	170.5	-169.1	169.6	-173.4	155.4	-6.4	109.8	M199 E303 A410 E413	M199-R301 WeakPolarHBondContact CB-O 3.41Å; M199-R301 WeakPolarHBondContact CG-O 3.43Å; M199-R301 PolarHBondContact O-N 2.97Å; R301-E303 IonicContact NH2-OE2 2.73Å; R301-A410 PolarHBondContact NH2-O 3.37Å; R301-E413 IonicContact CZ-OE1 3.67Å; R301-E413 IonicContact NH1-OE1 3.05Å; R301-E413 PolarHBondContact NH1-OE1 2.82Å; R301-E413 IonicContact NH2-OE1 2.72Å; R301-E413 PolarHBondContact NH2-OE1 3.05Å; R301-E413 IonicContact NH2-OE2 2.68Å; R301-E413 PolarHBondContact NH2-OE2 2.87Å; R301-E413 VanDerWaalsContact NH2-OE2 3.09Å
302	T	94.4	Very high	91.2	Very high	51 Å²	51	56.7 Å²	56.7	31%	0.313	29%	0.287	S	S	.	.			trans	-90.9	-16.3	-177.6	51.7	0	0	0	0	113.7	K168 M199 V300 L304	K168-T302 HydrophobicContact CD-CG2 3.89Å; K168-T302 HydrophobicContact CG-CG2 3.72Å; M199-T302 HydrophobicContact CE-CG2 4.34Å; V300-T302 HydrophobicContact CG1-CG2 4.1Å; T302-L304 PolarHBondContact O-N 3.16Å
303	E	93.6	Very high	92.4	Very high	120 Å²	120	55.2 Å²	55.2	56%	0.561	27%	0.274	S	S	*	.			trans	-71.3	115.2	179.9	-65	175.8	179.4	0	0	110.2	R301 A410	R301-E303 IonicContact NH2-OE2 2.73Å; E303-A410 HydrophobicContact CB-CB 4.34Å; E303-A410 WeakPolarHBondContact O-CB 3.44Å
304	L	95.2	Very high	93.4	Very high	20 Å²	20	55.3 Å²	55.3	11%	0.105	27%	0.269	C	S	.	.			trans	-125.9	136.5	174.5	-71.3	-177.5	0	0	0	108.6	T160 W163 A195 M199 T302 R306 S406	T160-L304 HydrophobicContact CG2-CB 4.32Å; T160-L304 HydrophobicContact CG2-CD1 4.32Å; W163-L304 HydrophobicContact CE3-CD1 3.9Å; W163-L304 HydrophobicContact CZ3-CD1 4.39Å; A195-L304 HydrophobicContact CB-CD1 4.4Å; M199-L304 HydrophobicContact CG-CD1 4.25Å; M199-L304 HydrophobicContact CG-CD2 4.28Å; M199-L304 HydrophobicContact CG-CG 4.4Å; M199-L304 HydrophobicContact SD-CD1 3.89Å; T302-L304 PolarHBondContact O-N 3.16Å; L304-R306 PolarHBondContact O-N 3.14Å; L304-S406 WeakPolarHBondContact CB-OG 3.49Å
305	N	95.8	Very high	94.1	Very high	22 Å²	22	58.6 Å²	58.6	12%	0.118	29%	0.291	C	S	.	.			trans	-75.9	120.5	178.6	-165.1	-41.1	0	0	0	110.2	N307 Q331 S406 L409	N305-N307 WeakPolarHBondContact OD1-CB 3.4Å; N305-N307 PolarHBondContact OD1-N 3.4Å; N305-Q331 PolarHBondContact ND2-OE1 3.23Å; N305-Q331 PolarHBondContact OD1-OE1 3.35Å; N305-S406 WeakPolarHBondContact CB-O 3.12Å; N305-S406 PolarHBondContact N-O 3.15Å; N305-S406 PolarHBondContact N-OG 3.33Å; N305-S406 WeakPolarHBondContact O-CB 3.22Å; N305-S406 PolarHBondContact O-OG 2.85Å; N305-L409 HydrophobicContact CB-CB 3.71Å
306	R	95.6	Very high	94.7	Very high	142 Å²	142	59.4 Å²	59.4	54%	0.536	31%	0.309	S	S	.	.	S	Bend	trans	-82.1	-15.8	-179.3	-68.5	-177.9	161.9	-160.3	-1.3	114	T160 D161 L304 V308	T160-R306 HydrophobicContact CG2-CG 4.49Å; T160-R306 PolarHBondContact OG1-NE 2.9Å; T160-R306 PolarHBondContact OG1-NH2 3.08Å; D161-R306 IonicContact OD1-CZ 3.36Å; D161-R306 IonicContact OD1-NH2 3.77Å; D161-R306 PolarHBondContact OD1-NH2 3.14Å; D161-R306 IonicContact OD2-CZ 3.88Å; D161-R306 IonicContact OD2-NH2 3.09Å; D161-R306 PolarHBondContact OD2-NH2 2.79Å; L304-R306 PolarHBondContact O-N 3.14Å; R306-V308 PolarHBondContact O-N 3.24Å
307	N	96.9	Very high	95.1	Very high	61 Å²	61	57.9 Å²	57.9	33%	0.326	30%	0.295	S	S	.	.			trans	-85.1	50.5	-179.4	-58.7	-41.6	0	0	0	110.9	N305 P329 M330 Q331 G332	N305-N307 WeakPolarHBondContact OD1-CB 3.4Å; N305-N307 PolarHBondContact OD1-N 3.4Å; N307-P329 VanDerWaalsContact CB-O 3.26Å; N307-P329 WeakPolarHBondContact CB-O 3.38Å; N307-M330 VanDerWaalsContact O-SD 3.41Å; N307-Q331 HydrophobicContact CB-CB 4.26Å; N307-Q331 HydrophobicContact CB-CG 4.26Å; N307-Q331 PolarHBondContact O-N 3.07Å; N307-G332 PolarHBondContact O-N 3.05Å
308	V	97.4	Very high	95.4	Very high	30 Å²	30	56.3 Å²	56.3	18%	0.182	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	149.6	175.6	-61.7	0	0	0	0	110.4	R306 G332 L402 L405 L409	R306-V308 PolarHBondContact O-N 3.24Å; V308-G332 CarbonylContact C-O 3.58Å; V308-G332 WeakPolarHBondContact CA-O 3.06Å; V308-L402 HydrophobicContact CB-CD1 4.03Å; V308-L402 HydrophobicContact CG2-CD1 3.79Å; V308-L402 HydrophobicContact CG2-CG 4.3Å; V308-L405 HydrophobicContact CG1-CD2 4.38Å; V308-L405 HydrophobicContact CG1-CG 4.06Å; V308-L409 HydrophobicContact CG1-CD1 3.71Å
309	G	96.9	Very high	95.4	Very high	11 Å²	11	56.7 Å²	56.7	11%	0.113	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	162.6	-179.9	0	0	0	0	0	113.2	G332 V333 V334	G309-G332 PolarHBondContact N-O 2.87Å; G309-V333 CarbonylContact O-C 3.58Å; G309-V333 VanDerWaalsContact O-CA 3.31Å; G309-V333 WeakPolarHBondContact O-CA 3.49Å; G309-V334 PolarHBondContact O-N 3.19Å
310	L	97.4	Very high	95.5	Very high	53 Å²	53	56 Å²	56	28%	0.277	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	123.5	171.4	-173.6	161.5	0	0	0	108.3	F325 V334 E336 P398	L310-F325 WeakPolarHBondContact O-CZ 3.33Å; L310-V334 CarbonylContact C-O 3.59Å; L310-V334 WeakPolarHBondContact CA-O 3.46Å; L310-E336 HydrophobicContact CD2-CG 3.95Å; L310-E336 WeakPolarHBondContact CD2-OE2 3.49Å; L310-E336 HydrophobicContact CG-CG 4.3Å; L310-P398 HydrophobicContact CD1-CB 3.66Å
311	L	97.6	Very high	95.5	Very high	15 Å²	15	58.9 Å²	58.9	8%	0.079	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	116.6	178.5	-179.6	61.5	0	0	0	109.6	I317 V322 F325 V333 V334 L335 E336	L311-I317 HydrophobicContact CD1-CD1 4.23Å; L311-V322 HydrophobicContact CD2-CG1 4.38Å; L311-V322 HydrophobicContact CD2-CG2 4.27Å; L311-F325 HydrophobicContact CB-CD1 4.05Å; L311-F325 HydrophobicContact CB-CE1 3.73Å; L311-F325 HydrophobicContact CB-CZ 4.05Å; L311-F325 HydrophobicContact CD1-CD1 4.43Å; L311-F325 HydrophobicContact CD1-CD2 4.23Å; L311-F325 HydrophobicContact CD1-CE2 4.46Å; L311-F325 HydrophobicContact CD1-CG 4.2Å; L311-F325 HydrophobicContact CD2-CD1 4.04Å; L311-F325 HydrophobicContact CD2-CG 4.34Å; L311-F325 HydrophobicContact CG-CD1 4.41Å; L311-V333 HydrophobicContact CB-CG1 3.94Å; L311-V334 PolarHBondContact N-O 3.5Å; L311-L335 HydrophobicContact CB-CD1 4.06Å; L311-L335 HydrophobicContact CD2-CD1 3.83Å; L311-L335 HydrophobicContact CG-CD1 3.96Å; L311-L335 CarbonylContact O-C 3.59Å; L311-L335 WeakPolarHBondContact O-CA 3.17Å; L311-E336 PolarHBondContact O-N 2.95Å
312	R	97.2	Very high	95.6	Very high	129 Å²	129	56.7 Å²	56.7	49%	0.487	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	121.3	175.7	-170.6	177.1	-174	116.6	-4.5	111	E336 Q369	R312-E336 HydrophobicContact CB-CB 4.37Å; R312-E336 WeakPolarHBondContact CB-OE2 3.29Å; R312-E336 WeakPolarHBondContact CD-OE2 3.39Å; R312-E336 HydrophobicContact CG-CB 4.18Å; R312-E336 WeakPolarHBondContact CG-OE2 3.38Å; R312-E336 IonicContact NH1-OE1 3.59Å; R312-E336 IonicContact NH1-OE2 3.41Å; R312-E336 PolarHBondContact NH1-OE2 3.33Å; R312-Q369 HydrophobicContact CG-CG 4.23Å
313	L	95	Very high	95.7	Very high	3 Å²	3	59.9 Å²	59.9	2%	0.016	32%	0.319	C	S	.	.			trans	-70.1	142.2	172.6	-65.4	-174.4	0	0	0	111	I317 L335 E336 T337 Y338 A343 Q369	L313-I317 HydrophobicContact CD2-CD1 4.34Å; L313-I317 HydrophobicContact CD2-CG2 4.1Å; L313-L335 HydrophobicContact CD1-CD2 4.34Å; L313-L335 HydrophobicContact CD1-CG 4.45Å; L313-L335 HydrophobicContact CD2-CD1 3.85Å; L313-L335 HydrophobicContact CG-CD1 3.93Å; L313-L335 HydrophobicContact CG-CG 4.27Å; L313-E336 WeakPolarHBondContact CB-O 3.26Å; L313-E336 PolarHBondContact N-O 2.94Å; L313-T337 HydrophobicContact CD1-CG2 3.83Å; L313-Y338 HydrophobicContact CB-CE1 4.17Å; L313-Y338 WeakPolarHBondContact O-CE1 3.42Å; L313-A343 HydrophobicContact CD1-CB 4.01Å; L313-Q369 PolarHBondContact O-NE2 2.84Å
314	F	95	Very high	95.9	Very high	112 Å²	112	57.4 Å²	57.4	49%	0.491	32%	0.319	S	S	.	.			trans	-143.1	151.4	170.2	60.6	-89.4	0	0	0	109.5	G316 I317 Y338	F314-G316 PolarHBondContact O-N 2.87Å; F314-G316 VanDerWaalsContact O-N 3.15Å; F314-I317 HydrophobicContact CD1-CB 4.31Å; F314-I317 HydrophobicContact CD1-CD1 4.38Å; F314-I317 HydrophobicContact CD2-CB 4.47Å; F314-I317 HydrophobicContact CE1-CB 4Å; F314-I317 HydrophobicContact CE1-CD1 3.93Å; F314-I317 HydrophobicContact CE1-CG1 3.95Å; F314-I317 HydrophobicContact CE2-CB 4.17Å; F314-I317 HydrophobicContact CZ-CB 3.92Å; F314-I317 HydrophobicContact CZ-CG1 4.04Å; F314-I317 WeakPolarHBondContact O-CG2 3.32Å; F314-I317 PolarHBondContact O-N 3Å; F314-I317 VanDerWaalsContact O-N 3.07Å; F314-Y338 WeakPolarHBondContact CA-OH 3.39Å; F314-Y338 PolarHBondContact N-OH 2.66Å; F314-Y338 VanDerWaalsContact N-OH 3.07Å; F314-Y338 PolarHBondContact O-OH 2.9Å
315	P	92.9	Very high	96	Very high	116 Å²	116	59.6 Å²	59.6	75%	0.753	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	123.1	-178.9	-27.1	35.7	0	0	0	110.8	Y338	P315-Y338 VanDerWaalsContact N-OH 3.16Å
316	G	90.3	Very high	96.1	Very high	62 Å²	62	59.2 Å²	59.2	64%	0.639	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	94.9	2.3	-179.2	0	0	0	0	0	115.9	F314 T318	F314-G316 PolarHBondContact O-N 2.87Å; F314-G316 VanDerWaalsContact O-N 3.15Å; G316-T318 PolarHBondContact O-N 3.33Å
317	I	95.3	Very high	96	Very high	8 Å²	8	57.4 Å²	57.4	4%	0.041	32%	0.323	C	S	.	.			trans	-55.7	134.1	169.8	-165.3	171.8	0	0	0	110.7	L311 L313 F314 T321 V322	L311-I317 HydrophobicContact CD1-CD1 4.23Å; L313-I317 HydrophobicContact CD2-CD1 4.34Å; L313-I317 HydrophobicContact CD2-CG2 4.1Å; F314-I317 HydrophobicContact CD1-CB 4.31Å; F314-I317 HydrophobicContact CD1-CD1 4.38Å; F314-I317 HydrophobicContact CD2-CB 4.47Å; F314-I317 HydrophobicContact CE1-CB 4Å; F314-I317 HydrophobicContact CE1-CD1 3.93Å; F314-I317 HydrophobicContact CE1-CG1 3.95Å; F314-I317 HydrophobicContact CE2-CB 4.17Å; F314-I317 HydrophobicContact CZ-CB 3.92Å; F314-I317 HydrophobicContact CZ-CG1 4.04Å; F314-I317 WeakPolarHBondContact O-CG2 3.32Å; F314-I317 PolarHBondContact O-N 3Å; F314-I317 VanDerWaalsContact O-N 3.07Å; I317-T321 HydrophobicContact CG1-CG2 4.38Å; I317-V322 HydrophobicContact CD1-CG2 3.87Å; I317-V322 HydrophobicContact CG1-CG2 4.11Å
318	T	95.9	Very high	95.9	Very high	60 Å²	60	59.9 Å²	59.9	37%	0.368	34%	0.343	S	S	.	.			trans	-90.4	150.3	-175.7	65.4	0	0	0	0	111	G316 S320 T321 V322	G316-T318 PolarHBondContact O-N 3.33Å; T318-S320 PolarHBondContact O-N 2.95Å; T318-S320 PolarHBondContact OG1-OG 3.25Å; T318-T321 PolarHBondContact O-N 3.46Å; T318-T321 PolarHBondContact OG1-N 2.98Å; T318-T321 PolarHBondContact OG1-OG1 3.38Å; T318-V322 PolarHBondContact O-N 2.94Å
319	S	95.3	Very high	95.9	Very high	28 Å²	28	62.8 Å²	62.8	20%	0.196	36%	0.362	C	S	.	.	H	α-helix	trans	-61.5	-30	172.5	42	0	0	0	0	111.9	V322 R323 D349	S319-V322 PolarHBondContact O-N 3.48Å; S319-R323 VanDerWaalsContact O-CB 3.27Å; S319-R323 WeakPolarHBondContact O-CB 3.47Å; S319-R323 PolarHBondContact O-N 3.4Å; S319-D349 VanDerWaalsContact CB-OD2 3.3Å; S319-D349 WeakPolarHBondContact CB-OD2 3.37Å; S319-D349 PolarHBondContact OG-OD2 3.05Å
320	S	96.8	Very high	95.9	Very high	77 Å²	77	64 Å²	64	54%	0.538	37%	0.366	S	S	.	.	H	α-helix	trans	-64.2	-41	173.8	56.6	0	0	0	0	113.2	T318 A324	T318-S320 PolarHBondContact O-N 2.95Å; T318-S320 PolarHBondContact OG1-OG 3.25Å; S320-A324 WeakPolarHBondContact O-CB 3.24Å; S320-A324 PolarHBondContact O-N 3.42Å
321	T	96.4	Very high	95.9	Very high	70 Å²	70	65.6 Å²	65.6	43%	0.429	37%	0.372	S	S	.	.	H	α-helix	trans	-65.4	-44.5	175.4	-64.5	0	0	0	0	110.8	I317 T318 A324 F325	I317-T321 HydrophobicContact CG1-CG2 4.38Å; T318-T321 PolarHBondContact O-N 3.46Å; T318-T321 PolarHBondContact OG1-N 2.98Å; T318-T321 PolarHBondContact OG1-OG1 3.38Å; T321-A324 PolarHBondContact O-N 2.75Å; T321-F325 WeakPolarHBondContact O-CB 3.46Å; T321-F325 PolarHBondContact O-N 2.94Å
322	V	96.6	Very high	95.9	Very high	1 Å²	1	64.9 Å²	64.9	1%	0.006	37%	0.368	C	S	.	.	H	α-helix	trans	-63.9	-44.4	178.2	177	0	0	0	0	111.1	L311 I317 T318 S319 A324 F325 L326 L350 E353 L354	L311-V322 HydrophobicContact CD2-CG1 4.38Å; L311-V322 HydrophobicContact CD2-CG2 4.27Å; I317-V322 HydrophobicContact CD1-CG2 3.87Å; I317-V322 HydrophobicContact CG1-CG2 4.11Å; T318-V322 PolarHBondContact O-N 2.94Å; S319-V322 PolarHBondContact O-N 3.48Å; V322-A324 VanDerWaalsContact C-N 3.34Å; V322-A324 PolarHBondContact O-N 3.39Å; V322-F325 PolarHBondContact O-N 3.5Å; V322-L326 HydrophobicContact CG1-CD1 3.6Å; V322-L326 HydrophobicContact CG1-CG 4.41Å; V322-L326 WeakPolarHBondContact O-CB 3.32Å; V322-L326 VanDerWaalsContact O-CG 3.3Å; V322-L326 WeakPolarHBondContact O-CG 3.37Å; V322-L326 PolarHBondContact O-N 2.84Å; V322-L350 HydrophobicContact CB-CD1 4.06Å; V322-L350 HydrophobicContact CG1-CD1 4.08Å; V322-L350 HydrophobicContact CG2-CD1 3.62Å; V322-E353 HydrophobicContact CG1-CB 4.48Å; V322-L354 HydrophobicContact CG1-CD2 4.16Å
323	R	96.9	Very high	96	Very high	118 Å²	118	58.8 Å²	58.8	45%	0.445	35%	0.345	S	S	.	.	H	α-helix	trans	-56.8	-47	174	-178.4	-179.4	-60.9	-170.7	8.9	112.1	S319 F325 L326 Q327 E353	S319-R323 VanDerWaalsContact O-CB 3.27Å; S319-R323 WeakPolarHBondContact O-CB 3.47Å; S319-R323 PolarHBondContact O-N 3.4Å; R323-F325 VanDerWaalsContact C-N 3.33Å; R323-L326 PolarHBondContact O-N 3.33Å; R323-Q327 WeakPolarHBondContact O-CG 3.32Å; R323-Q327 PolarHBondContact O-N 3.49Å; R323-Q327 PolarHBondContact O-NE2 3.15Å; R323-E353 HydrophobicContact CB-CG 4.43Å; R323-E353 VanDerWaalsContact CB-OE2 3.32Å; R323-E353 WeakPolarHBondContact CB-OE2 3.43Å; R323-E353 VanDerWaalsContact CG-OE2 3.28Å; R323-E353 WeakPolarHBondContact CG-OE2 3.32Å; R323-E353 IonicContact CZ-OE1 3.22Å; R323-E353 IonicContact CZ-OE2 3.45Å; R323-E353 VanDerWaalsContact NE-CD 3.25Å; R323-E353 IonicContact NE-OE1 3.3Å; R323-E353 PolarHBondContact NE-OE1 3.17Å; R323-E353 IonicContact NE-OE2 2.74Å; R323-E353 PolarHBondContact NE-OE2 3.16Å; R323-E353 VanDerWaalsContact NH2-CD 3.3Å; R323-E353 IonicContact NH2-OE1 2.77Å; R323-E353 PolarHBondContact NH2-OE1 2.9Å; R323-E353 IonicContact NH2-OE2 2.66Å
324	A	97.5	Very high	96.1	Very high	68 Å²	68	58.6 Å²	58.6	56%	0.562	34%	0.344	S	S	*	.	H	α-helix	trans	-63	-41.3	-179.8	0	0	0	0	0	111.4	S320 T321 V322 L326 Q327	S320-A324 WeakPolarHBondContact O-CB 3.24Å; S320-A324 PolarHBondContact O-N 3.42Å; T321-A324 PolarHBondContact O-N 2.75Å; V322-A324 VanDerWaalsContact C-N 3.34Å; V322-A324 PolarHBondContact O-N 3.39Å; A324-L326 VanDerWaalsContact C-N 3.33Å; A324-L326 PolarHBondContact O-N 3.3Å; A324-Q327 PolarHBondContact O-N 3.38Å
325	F	97.6	Very high	96.2	Very high	66 Å²	66	53.3 Å²	53.3	29%	0.289	32%	0.321	S	S	.	.	H	α-helix	trans	-65.6	-34.3	177.9	-168.3	-88.9	0	0	0	113	L310 L311 T321 V322 R323 M330 V333	L310-F325 WeakPolarHBondContact O-CZ 3.33Å; L311-F325 HydrophobicContact CB-CD1 4.05Å; L311-F325 HydrophobicContact CB-CE1 3.73Å; L311-F325 HydrophobicContact CB-CZ 4.05Å; L311-F325 HydrophobicContact CD1-CD1 4.43Å; L311-F325 HydrophobicContact CD1-CD2 4.23Å; L311-F325 HydrophobicContact CD1-CE2 4.46Å; L311-F325 HydrophobicContact CD1-CG 4.2Å; L311-F325 HydrophobicContact CD2-CD1 4.04Å; L311-F325 HydrophobicContact CD2-CG 4.34Å; L311-F325 HydrophobicContact CG-CD1 4.41Å; T321-F325 WeakPolarHBondContact O-CB 3.46Å; T321-F325 PolarHBondContact O-N 2.94Å; V322-F325 PolarHBondContact O-N 3.5Å; R323-F325 VanDerWaalsContact C-N 3.33Å; F325-M330 HydrophobicContact CE1-CE 4.25Å; F325-V333 HydrophobicContact CD1-CG1 4.49Å; F325-V333 HydrophobicContact CD1-CG2 4.26Å; F325-V333 HydrophobicContact CE1-CG1 3.9Å; F325-V333 HydrophobicContact CE1-CG2 3.86Å
326	L	96.6	Very high	96.4	Very high	13 Å²	13	48.6 Å²	48.6	7%	0.068	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	3.3	-178	-65.4	169	0	0	0	114.2	V322 R323 A324 V333 L354 A357 I364	V322-L326 HydrophobicContact CG1-CD1 3.6Å; V322-L326 HydrophobicContact CG1-CG 4.41Å; V322-L326 WeakPolarHBondContact O-CB 3.32Å; V322-L326 VanDerWaalsContact O-CG 3.3Å; V322-L326 WeakPolarHBondContact O-CG 3.37Å; V322-L326 PolarHBondContact O-N 2.84Å; R323-L326 PolarHBondContact O-N 3.33Å; A324-L326 VanDerWaalsContact C-N 3.33Å; A324-L326 PolarHBondContact O-N 3.3Å; L326-V333 HydrophobicContact CD2-CB 4.29Å; L326-V333 HydrophobicContact CD2-CG2 3.64Å; L326-L354 HydrophobicContact CD1-CD2 4.13Å; L326-A357 HydrophobicContact CB-CB 4.13Å; L326-A357 HydrophobicContact CD1-CB 3.8Å; L326-A357 HydrophobicContact CD2-CB 4.24Å; L326-A357 HydrophobicContact CG-CB 4.28Å; L326-I364 HydrophobicContact CD1-CD1 4.48Å; L326-I364 HydrophobicContact CD2-CD1 4.05Å
327	Q	94.9	Very high	96.6	Very high	104 Å²	104	45.6 Å²	45.6	49%	0.486	26%	0.258	S	S	.	.			trans	-65.4	152.6	178.7	-71.2	-53.5	-65.2	0	0	112	R323 A324 M330	R323-Q327 WeakPolarHBondContact O-CG 3.32Å; R323-Q327 PolarHBondContact O-N 3.49Å; R323-Q327 PolarHBondContact O-NE2 3.15Å; A324-Q327 PolarHBondContact O-N 3.38Å; Q327-M330 WeakPolarHBondContact O-CB 3.03Å; Q327-M330 PolarHBondContact O-N 3.25Å; Q327-M330 VanDerWaalsContact O-N 3.14Å
328	P	95.2	Very high	96.5	Very high	113 Å²	113	48.2 Å²	48.2	73%	0.734	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51	141.5	167.5	-26	35	0	0	0	111.5
329	P	96.3	Very high	96.2	Very high	91 Å²	91	47.1 Å²	47.1	59%	0.591	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	cis	-90.2	14.7	14.7	36.9	-37.7	0	0	0	115.4	N307 Q331	N307-P329 VanDerWaalsContact CB-O 3.26Å; N307-P329 WeakPolarHBondContact CB-O 3.38Å; P329-Q331 PolarHBondContact O-N 3.41Å
330	M	97.4	Very high	95.7	Very high	37 Å²	37	47 Å²	47	18%	0.182	27%	0.268	C	S	.	.			trans	-55.4	131.3	-178	-171	59.9	70.6	0	0	112.4	N307 F325 Q327 V333	N307-M330 VanDerWaalsContact O-SD 3.41Å; F325-M330 HydrophobicContact CE1-CE 4.25Å; Q327-M330 WeakPolarHBondContact O-CB 3.03Å; Q327-M330 PolarHBondContact O-N 3.25Å; Q327-M330 VanDerWaalsContact O-N 3.14Å; M330-V333 HydrophobicContact CG-CG2 3.68Å; M330-V333 HydrophobicContact SD-CG2 3.86Å
331	Q	97.3	Very high	95.3	Very high	86 Å²	86	43.4 Å²	43.4	40%	0.402	24%	0.243	S	C	.	.			trans	-121.1	-20.7	-178.9	-72.1	179.2	-27.1	0	0	113.2	N305 N307 P329 V362 I363 L409	N305-Q331 PolarHBondContact ND2-OE1 3.23Å; N305-Q331 PolarHBondContact OD1-OE1 3.35Å; N307-Q331 HydrophobicContact CB-CB 4.26Å; N307-Q331 HydrophobicContact CB-CG 4.26Å; N307-Q331 PolarHBondContact O-N 3.07Å; P329-Q331 PolarHBondContact O-N 3.41Å; Q331-V362 WeakPolarHBondContact O-CA 3.31Å; Q331-I363 PolarHBondContact O-N 3.43Å; Q331-L409 HydrophobicContact CB-CD1 4.18Å
332	G	97.7	Very high	94.9	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	145	173.5	0	0	0	0	0	113.7	N307 V308 G309 I363 L405	N307-G332 PolarHBondContact O-N 3.05Å; V308-G332 CarbonylContact C-O 3.58Å; V308-G332 WeakPolarHBondContact CA-O 3.06Å; G309-G332 PolarHBondContact N-O 2.87Å; G332-I363 CarbonylContact C-O 3.55Å; G332-I363 WeakPolarHBondContact CA-O 3.49Å; G332-L405 VanDerWaalsContact C-CD2 3.49Å
333	V	98.3	Very high	94.5	Very high	1 Å²	1	41.6 Å²	41.6	1%	0.006	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	133.9	177.9	176	0	0	0	0	111.1	G309 L311 F325 L326 M330 V362 I363 I364 V365	G309-V333 CarbonylContact O-C 3.58Å; G309-V333 VanDerWaalsContact O-CA 3.31Å; G309-V333 WeakPolarHBondContact O-CA 3.49Å; L311-V333 HydrophobicContact CB-CG1 3.94Å; F325-V333 HydrophobicContact CD1-CG1 4.49Å; F325-V333 HydrophobicContact CD1-CG2 4.26Å; F325-V333 HydrophobicContact CE1-CG1 3.9Å; F325-V333 HydrophobicContact CE1-CG2 3.86Å; L326-V333 HydrophobicContact CD2-CB 4.29Å; L326-V333 HydrophobicContact CD2-CG2 3.64Å; M330-V333 HydrophobicContact CG-CG2 3.68Å; M330-V333 HydrophobicContact SD-CG2 3.86Å; V333-V362 HydrophobicContact CG2-CG1 4.47Å; V333-I363 PolarHBondContact N-O 3.4Å; V333-I364 HydrophobicContact CB-CG1 4.44Å; V333-I364 CarbonylContact O-C 3.48Å; V333-I364 VanDerWaalsContact O-CA 3.29Å; V333-I364 WeakPolarHBondContact O-CA 3.4Å; V333-V365 PolarHBondContact O-N 3.33Å
334	V	98.1	Very high	93.9	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	111.8	161.2	-179.6	0	0	0	0	107.5	G309 L310 L311 V365 C367 A401 L402 L405	G309-V334 PolarHBondContact O-N 3.19Å; L310-V334 CarbonylContact C-O 3.59Å; L310-V334 WeakPolarHBondContact CA-O 3.46Å; L311-V334 PolarHBondContact N-O 3.5Å; V334-V365 CarbonylContact C-O 3.53Å; V334-V365 WeakPolarHBondContact CA-O 3.31Å; V334-C367 HydrophobicContact CG1-CB 3.99Å; V334-A401 HydrophobicContact CG1-CB 4.07Å; V334-A401 HydrophobicContact CG2-CB 3.88Å; V334-L402 HydrophobicContact CG2-CB 4.07Å; V334-L402 HydrophobicContact CG2-CD1 4.11Å; V334-L405 HydrophobicContact CG2-CD2 4.19Å
335	L	97.6	Very high	93.2	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.005	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	112.1	177.5	-172.9	70.9	0	0	0	109	L311 L313 T337 L354 I364 V365 C367 L390	L311-L335 HydrophobicContact CB-CD1 4.06Å; L311-L335 HydrophobicContact CD2-CD1 3.83Å; L311-L335 HydrophobicContact CG-CD1 3.96Å; L311-L335 CarbonylContact O-C 3.59Å; L311-L335 WeakPolarHBondContact O-CA 3.17Å; L313-L335 HydrophobicContact CD1-CD2 4.34Å; L313-L335 HydrophobicContact CD1-CG 4.45Å; L313-L335 HydrophobicContact CD2-CD1 3.85Å; L313-L335 HydrophobicContact CG-CD1 3.93Å; L313-L335 HydrophobicContact CG-CG 4.27Å; L335-T337 HydrophobicContact CD2-CG2 3.82Å; L335-T337 HydrophobicContact CG-CG2 3.84Å; L335-L354 HydrophobicContact CD2-CD1 4.28Å; L335-L354 HydrophobicContact CD2-CD2 4.29Å; L335-I364 HydrophobicContact CB-CG2 3.92Å; L335-V365 PolarHBondContact N-O 2.9Å; L335-C367 PolarHBondContact O-N 2.91Å; L335-L390 HydrophobicContact CD2-CD2 3.59Å
336	E	96.8	Very high	92.7	Very high	16 Å²	16	41.3 Å²	41.3	8%	0.075	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	114.9	173.8	-54	-173.6	104.5	0	0	110.3	L310 L311 R312 L313 C367 Q369 P398	L310-E336 HydrophobicContact CD2-CG 3.95Å; L310-E336 WeakPolarHBondContact CD2-OE2 3.49Å; L310-E336 HydrophobicContact CG-CG 4.3Å; L311-E336 PolarHBondContact O-N 2.95Å; R312-E336 HydrophobicContact CB-CB 4.37Å; R312-E336 WeakPolarHBondContact CB-OE2 3.29Å; R312-E336 WeakPolarHBondContact CD-OE2 3.39Å; R312-E336 HydrophobicContact CG-CB 4.18Å; R312-E336 WeakPolarHBondContact CG-OE2 3.38Å; R312-E336 IonicContact NH1-OE1 3.59Å; R312-E336 IonicContact NH1-OE2 3.41Å; R312-E336 PolarHBondContact NH1-OE2 3.33Å; L313-E336 WeakPolarHBondContact CB-O 3.26Å; L313-E336 PolarHBondContact N-O 2.94Å; E336-C367 CarbonylContact C-O 3.52Å; E336-C367 VanDerWaalsContact CA-O 3.27Å; E336-C367 WeakPolarHBondContact CA-O 3.28Å; E336-Q369 HydrophobicContact CB-CG 3.64Å; E336-Q369 PolarHBondContact O-NE2 3.28Å; E336-P398 VanDerWaalsContact OE1-CG 3.26Å; E336-P398 WeakPolarHBondContact OE1-CG 3.33Å
337	T	94.5	Very high	92.3	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	173.7	-174.8	66.8	0	0	0	0	112.3	L313 L335 G341 N342 N366 C367 Q369 L385	L313-T337 HydrophobicContact CD1-CG2 3.83Å; L335-T337 HydrophobicContact CD2-CG2 3.82Å; L335-T337 HydrophobicContact CG-CG2 3.84Å; T337-G341 WeakPolarHBondContact OG1-CA 3.48Å; T337-N342 WeakPolarHBondContact CB-O 3.34Å; T337-N366 WeakPolarHBondContact CB-OD1 3.33Å; T337-N366 WeakPolarHBondContact CG2-OD1 3.36Å; T337-N366 PolarHBondContact OG1-OD1 3.18Å; T337-C367 PolarHBondContact N-O 2.71Å; T337-C367 PolarHBondContact OG1-O 3.46Å; T337-Q369 WeakPolarHBondContact O-CB 3.49Å; T337-Q369 VanDerWaalsContact O-CG 3.25Å; T337-Q369 WeakPolarHBondContact O-CG 3.4Å; T337-Q369 PolarHBondContact O-N 2.88Å; T337-L385 HydrophobicContact CG2-CD1 3.94Å
338	Y	92.8	Very high	92.2	Very high	62 Å²	62	43.7 Å²	43.7	24%	0.243	25%	0.25	C	C	.	.	B	Isolated β-bridge	trans	-81.8	145.9	-171.8	-48.7	-52.2	0	0	0	112.7	L313 F314 P315 S340 G341 N342	L313-Y338 HydrophobicContact CB-CE1 4.17Å; L313-Y338 WeakPolarHBondContact O-CE1 3.42Å; F314-Y338 WeakPolarHBondContact CA-OH 3.39Å; F314-Y338 PolarHBondContact N-OH 2.66Å; F314-Y338 VanDerWaalsContact N-OH 3.07Å; F314-Y338 PolarHBondContact O-OH 2.9Å; P315-Y338 VanDerWaalsContact N-OH 3.16Å; Y338-S340 PolarHBondContact O-N 3.15Å; Y338-G341 PolarHBondContact O-N 3.46Å; Y338-N342 WeakPolarHBondContact CD2-O 3.47Å; Y338-N342 PolarHBondContact N-O 3.48Å; Y338-N342 PolarHBondContact O-N 2.93Å
339	G	88.9	Confident	92.1	Very high	38 Å²	38	40.9 Å²	40.9	39%	0.392	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.8	-121.9	168.2	0	0	0	0	0	112.5	G341 T368	G339-G341 PolarHBondContact O-N 3.1Å; G339-T368 VanDerWaalsContact O-CB 3.29Å; G339-T368 WeakPolarHBondContact O-CB 3.49Å; G339-T368 PolarHBondContact O-OG1 3.13Å
340	S	86.6	Confident	92	Very high	26 Å²	26	36.7 Å²	36.7	18%	0.182	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	22	-179.5	59.7	0	0	0	0	114.3	Y338 N342 V375 S376 Y379	Y338-S340 PolarHBondContact O-N 3.15Å; S340-N342 PolarHBondContact OG-ND2 3.26Å; S340-V375 CarbonylContact O-C 3.6Å; S340-V375 WeakPolarHBondContact O-CA 3.23Å; S340-S376 PolarHBondContact O-N 2.82Å; S340-Y379 WeakPolarHBondContact OG-CD2 3.04Å; S340-Y379 WeakPolarHBondContact OG-CE2 3.48Å
341	G	87.4	Confident	91.8	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	108.4	27.3	-179.4	0	0	0	0	0	115.4	T337 Y338 G339 N366 L385	T337-G341 WeakPolarHBondContact OG1-CA 3.48Å; Y338-G341 PolarHBondContact O-N 3.46Å; G339-G341 PolarHBondContact O-N 3.1Å; G341-N366 PolarHBondContact O-ND2 3.23Å; G341-L385 WeakPolarHBondContact O-CD1 3.14Å
342	N	88.9	Confident	91.7	Very high	29 Å²	29	37.2 Å²	37.2	16%	0.155	20%	0.204	C	C	.	.	B	Isolated β-bridge	trans	-97.7	143.2	-166.7	-58.5	-32.7	0	0	0	112.5	T337 Y338 S340 T381	T337-N342 WeakPolarHBondContact CB-O 3.34Å; Y338-N342 WeakPolarHBondContact CD2-O 3.47Å; Y338-N342 PolarHBondContact N-O 3.48Å; Y338-N342 PolarHBondContact O-N 2.93Å; S340-N342 PolarHBondContact OG-ND2 3.26Å; N342-T381 PolarHBondContact OD1-OG1 3.15Å
343	A	87.6	Confident	91.6	Very high	4 Å²	4	37.8 Å²	37.8	3%	0.033	21%	0.207	C	C	.	.			trans	-125.6	164.2	168.6	0	0	0	0	0	111.4	L313 D345 T381 L385	L313-A343 HydrophobicContact CD1-CB 4.01Å; A343-D345 PolarHBondContact O-N 3.39Å; A343-D345 VanDerWaalsContact O-N 3.16Å; A343-T381 PolarHBondContact N-O 2.94Å; A343-T381 WeakPolarHBondContact O-CB 3.45Å; A343-L385 HydrophobicContact CB-CD1 3.73Å; A343-L385 HydrophobicContact CB-CD2 3.69Å; A343-L385 HydrophobicContact CB-CG 3.88Å
344	P	84.8	Confident	91.5	Very high	39 Å²	39	37.9 Å²	37.9	25%	0.253	21%	0.207	S	C	.	.			trans	-59.7	116.1	175	-22.1	33.8	0	0	0	111.5	R347	P344-R347 HydrophobicContact CB-CB 4.15Å; P344-R347 HydrophobicContact CB-CG 3.93Å
345	D	82.6	Confident	91.4	Very high	84 Å²	84	39.6 Å²	39.6	45%	0.449	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85	-19.3	177.7	59.6	-8.6	0	0	0	112.8	A343 R347 T381 V384	A343-D345 PolarHBondContact O-N 3.39Å; A343-D345 VanDerWaalsContact O-N 3.16Å; D345-R347 PolarHBondContact O-N 3.12Å; D345-T381 HydrophobicContact CB-CG2 3.97Å; D345-T381 WeakPolarHBondContact OD2-CG2 3.31Å; D345-V384 HydrophobicContact CB-CG1 4.27Å; D345-V384 HydrophobicContact CB-CG2 4.21Å
346	N	86.1	Confident	91.4	Very high	124 Å²	124	43.9 Å²	43.9	66%	0.663	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.2	8.8	173.3	69.3	-15.5	0	0	0	114.2	P348	N346-P348 WeakPolarHBondContact O-CD 3.11Å
347	R	89.8	Confident	91.4	Very high	75 Å²	75	43.5 Å²	43.5	28%	0.283	24%	0.237	S	C	.	.			trans	-118.9	76.6	-179	-71.2	-66.6	-58.2	-75.7	-5.6	110.6	P344 D345 D349 L350 L351	P344-R347 HydrophobicContact CB-CB 4.15Å; P344-R347 HydrophobicContact CB-CG 3.93Å; D345-R347 PolarHBondContact O-N 3.12Å; R347-D349 IonicContact CZ-OD1 3.42Å; R347-D349 IonicContact CZ-OD2 3.59Å; R347-D349 IonicContact NE-OD1 3.51Å; R347-D349 PolarHBondContact NE-OD1 2.92Å; R347-D349 IonicContact NE-OD2 2.67Å; R347-D349 IonicContact NH2-OD1 2.73Å; R347-D349 PolarHBondContact NH2-OD1 3.26Å; R347-D349 IonicContact NH2-OD2 3.58Å; R347-D349 PolarHBondContact NH2-OD2 3.22Å; R347-D349 PolarHBondContact O-N 3.36Å; R347-L350 HydrophobicContact CB-CB 4Å; R347-L350 PolarHBondContact O-N 3.22Å; R347-L350 VanDerWaalsContact O-N 3.08Å; R347-L351 PolarHBondContact O-N 3.15Å
348	P	91.4	Very high	91.4	Very high	92 Å²	92	43.9 Å²	43.9	60%	0.597	24%	0.239	S	C	*	.	H	α-helix	trans	-61.9	-31.5	-179.5	26	-34.4	0	0	0	111.9	N346 L350 L351 E352	N346-P348 WeakPolarHBondContact O-CD 3.11Å; P348-L350 VanDerWaalsContact C-N 3.27Å; P348-L350 PolarHBondContact O-N 3.27Å; P348-L351 PolarHBondContact O-N 3.09Å; P348-E352 VanDerWaalsContact O-CB 3.28Å; P348-E352 WeakPolarHBondContact O-CB 3.4Å; P348-E352 PolarHBondContact O-N 2.9Å
349	D	94.3	Very high	91.6	Very high	53 Å²	53	47 Å²	47	28%	0.283	26%	0.26	S	S	.	.	H	α-helix	trans	-61.1	-34.3	175.8	68.7	-52.9	0	0	0	112.7	S319 R347 E353	S319-D349 VanDerWaalsContact CB-OD2 3.3Å; S319-D349 WeakPolarHBondContact CB-OD2 3.37Å; S319-D349 PolarHBondContact OG-OD2 3.05Å; R347-D349 IonicContact CZ-OD1 3.42Å; R347-D349 IonicContact CZ-OD2 3.59Å; R347-D349 IonicContact NE-OD1 3.51Å; R347-D349 PolarHBondContact NE-OD1 2.92Å; R347-D349 IonicContact NE-OD2 2.67Å; R347-D349 IonicContact NH2-OD1 2.73Å; R347-D349 PolarHBondContact NH2-OD1 3.26Å; R347-D349 IonicContact NH2-OD2 3.58Å; R347-D349 PolarHBondContact NH2-OD2 3.22Å; R347-D349 PolarHBondContact O-N 3.36Å; D349-E353 WeakPolarHBondContact O-CG 3.46Å
350	L	93.7	Very high	91.8	Very high	3 Å²	3	49.6 Å²	49.6	2%	0.016	27%	0.272	C	S	.	.	H	α-helix	trans	-75.2	-46.4	176.3	177.2	63	0	0	0	111.5	V322 R347 P348 E352 E353 L354	V322-L350 HydrophobicContact CB-CD1 4.06Å; V322-L350 HydrophobicContact CG1-CD1 4.08Å; V322-L350 HydrophobicContact CG2-CD1 3.62Å; R347-L350 HydrophobicContact CB-CB 4Å; R347-L350 PolarHBondContact O-N 3.22Å; R347-L350 VanDerWaalsContact O-N 3.08Å; P348-L350 VanDerWaalsContact C-N 3.27Å; P348-L350 PolarHBondContact O-N 3.27Å; L350-E352 VanDerWaalsContact C-N 3.27Å; L350-E352 PolarHBondContact O-N 3.41Å; L350-E353 PolarHBondContact O-N 3.44Å; L350-L354 PolarHBondContact O-N 2.74Å
351	L	93	Very high	92.2	Very high	29 Å²	29	49.6 Å²	49.6	15%	0.152	28%	0.277	C	S	.	.	H	α-helix	trans	-63	-35.9	179.4	-65.7	174.6	0	0	0	111.7	R347 P348 L354 S355 V384 L385	R347-L351 PolarHBondContact O-N 3.15Å; P348-L351 PolarHBondContact O-N 3.09Å; L351-L354 PolarHBondContact O-N 3.3Å; L351-S355 WeakPolarHBondContact O-CB 3.16Å; L351-S355 PolarHBondContact O-N 3.19Å; L351-V384 HydrophobicContact CD1-CB 4.13Å; L351-V384 HydrophobicContact CD1-CG2 4.43Å; L351-V384 HydrophobicContact CD2-CB 4.39Å; L351-V384 HydrophobicContact CD2-CG2 4.25Å; L351-L385 HydrophobicContact CD2-CD2 4.03Å
352	E	94.8	Very high	92.6	Very high	105 Å²	105	50 Å²	50	49%	0.491	28%	0.279	S	S	.	.	H	α-helix	trans	-63.8	-40.7	176.5	-166.2	-170.1	155.3	0	0	111.8	P348 L350 S355 K356	P348-E352 VanDerWaalsContact O-CB 3.28Å; P348-E352 WeakPolarHBondContact O-CB 3.4Å; P348-E352 PolarHBondContact O-N 2.9Å; L350-E352 VanDerWaalsContact C-N 3.27Å; L350-E352 PolarHBondContact O-N 3.41Å; E352-S355 PolarHBondContact O-N 3.49Å; E352-K356 HydrophobicContact CG-CD 4.44Å; E352-K356 WeakPolarHBondContact O-CB 3.3Å; E352-K356 VanDerWaalsContact O-CG 3.26Å; E352-K356 WeakPolarHBondContact O-CG 3.44Å; E352-K356 PolarHBondContact O-N 2.94Å; E352-K356 WeakPolarHBondContact OE1-CE 3.14Å; E352-K356 IonicContact OE1-NZ 2.66Å; E352-K356 PolarHBondContact OE1-NZ 2.66Å
353	E	96.6	Very high	93	Very high	13 Å²	13	48.7 Å²	48.7	6%	0.061	27%	0.272	C	S	.	.	H	α-helix	trans	-66.5	-39.3	176.4	-65.8	-54.5	126.3	0	0	112.6	V322 R323 D349 L350 K356 A357	V322-E353 HydrophobicContact CG1-CB 4.48Å; R323-E353 HydrophobicContact CB-CG 4.43Å; R323-E353 VanDerWaalsContact CB-OE2 3.32Å; R323-E353 WeakPolarHBondContact CB-OE2 3.43Å; R323-E353 VanDerWaalsContact CG-OE2 3.28Å; R323-E353 WeakPolarHBondContact CG-OE2 3.32Å; R323-E353 IonicContact CZ-OE1 3.22Å; R323-E353 IonicContact CZ-OE2 3.45Å; R323-E353 VanDerWaalsContact NE-CD 3.25Å; R323-E353 IonicContact NE-OE1 3.3Å; R323-E353 PolarHBondContact NE-OE1 3.17Å; R323-E353 IonicContact NE-OE2 2.74Å; R323-E353 PolarHBondContact NE-OE2 3.16Å; R323-E353 VanDerWaalsContact NH2-CD 3.3Å; R323-E353 IonicContact NH2-OE1 2.77Å; R323-E353 PolarHBondContact NH2-OE1 2.9Å; R323-E353 IonicContact NH2-OE2 2.66Å; D349-E353 WeakPolarHBondContact O-CG 3.46Å; L350-E353 PolarHBondContact O-N 3.44Å; E353-K356 PolarHBondContact O-N 3.14Å; E353-K356 IonicContact OE1-NZ 3.69Å; E353-K356 PolarHBondContact OE1-NZ 3.2Å; E353-A357 PolarHBondContact O-N 3.42Å; E353-A357 VanDerWaalsContact O-N 3.13Å
354	L	96	Very high	93.5	Very high	3 Å²	3	48.6 Å²	48.6	2%	0.016	27%	0.271	C	S	.	.	H	α-helix	trans	-63.9	-45.7	174	-66.9	175	0	0	0	111.2	V322 L326 L335 L350 L351 A357 T358 I364 L385 L390	V322-L354 HydrophobicContact CG1-CD2 4.16Å; L326-L354 HydrophobicContact CD1-CD2 4.13Å; L335-L354 HydrophobicContact CD2-CD1 4.28Å; L335-L354 HydrophobicContact CD2-CD2 4.29Å; L350-L354 PolarHBondContact O-N 2.74Å; L351-L354 PolarHBondContact O-N 3.3Å; L354-A357 PolarHBondContact O-N 3.26Å; L354-T358 WeakPolarHBondContact O-CG2 3.35Å; L354-T358 PolarHBondContact O-N 3.26Å; L354-T358 PolarHBondContact O-OG1 3.32Å; L354-I364 HydrophobicContact CD2-CD1 4.05Å; L354-L385 HydrophobicContact CD1-CD2 3.77Å; L354-L390 HydrophobicContact CB-CD1 4.17Å; L354-L390 HydrophobicContact CD1-CD1 4.48Å
355	S	95.9	Very high	94.1	Very high	36 Å²	36	46.8 Å²	46.8	25%	0.252	26%	0.259	S	S	.	.	H	α-helix	trans	-64.4	-39.9	177.9	-175.6	0	0	0	0	112.3	L351 E352 A357 T358 N359	L351-S355 WeakPolarHBondContact O-CB 3.16Å; L351-S355 PolarHBondContact O-N 3.19Å; E352-S355 PolarHBondContact O-N 3.49Å; S355-A357 VanDerWaalsContact C-N 3.31Å; S355-A357 PolarHBondContact O-N 2.49Å; S355-T358 WeakPolarHBondContact CA-OG1 3.06Å; S355-T358 PolarHBondContact O-N 2.77Å; S355-T358 PolarHBondContact O-OG1 3.03Å; S355-N359 VanDerWaalsContact O-CB 3.22Å; S355-N359 WeakPolarHBondContact O-CB 3.1Å; S355-N359 PolarHBondContact O-N 2.68Å; S355-N359 PolarHBondContact O-ND2 3.15Å; S355-N359 PolarHBondContact OG-ND2 3.21Å
356	K	96.5	Very high	94.7	Very high	91 Å²	91	43 Å²	43	40%	0.396	24%	0.239	S	C	.	.	H	α-helix	trans	-58.8	-42.9	173.7	-77.8	169.7	-175.2	159.1	0	111.8	E352 E353 S360	E352-K356 HydrophobicContact CG-CD 4.44Å; E352-K356 WeakPolarHBondContact O-CB 3.3Å; E352-K356 VanDerWaalsContact O-CG 3.26Å; E352-K356 WeakPolarHBondContact O-CG 3.44Å; E352-K356 PolarHBondContact O-N 2.94Å; E352-K356 WeakPolarHBondContact OE1-CE 3.14Å; E352-K356 IonicContact OE1-NZ 2.66Å; E352-K356 PolarHBondContact OE1-NZ 2.66Å; E353-K356 PolarHBondContact O-N 3.14Å; E353-K356 IonicContact OE1-NZ 3.69Å; E353-K356 PolarHBondContact OE1-NZ 3.2Å; K356-S360 WeakPolarHBondContact O-CB 3.39Å; K356-S360 PolarHBondContact O-N 3.45Å; K356-S360 PolarHBondContact O-OG 2.78Å
357	A	96.6	Very high	95.1	Very high	7 Å²	7	37.2 Å²	37.2	6%	0.058	21%	0.208	C	C	.	.	H	α-helix	trans	-68.9	-42.4	179	0	0	0	0	0	112.5	L326 E353 L354 S355 N359 S360 G361 V362 I364	L326-A357 HydrophobicContact CB-CB 4.13Å; L326-A357 HydrophobicContact CD1-CB 3.8Å; L326-A357 HydrophobicContact CD2-CB 4.24Å; L326-A357 HydrophobicContact CG-CB 4.28Å; E353-A357 PolarHBondContact O-N 3.42Å; E353-A357 VanDerWaalsContact O-N 3.13Å; L354-A357 PolarHBondContact O-N 3.26Å; S355-A357 VanDerWaalsContact C-N 3.31Å; S355-A357 PolarHBondContact O-N 2.49Å; A357-N359 VanDerWaalsContact C-N 3.32Å; A357-N359 PolarHBondContact O-N 2.83Å; A357-S360 WeakPolarHBondContact CA-OG 3.45Å; A357-S360 PolarHBondContact O-N 2.78Å; A357-S360 PolarHBondContact O-OG 3.09Å; A357-G361 PolarHBondContact O-N 2.82Å; A357-V362 HydrophobicContact CB-CB 4.25Å; A357-V362 HydrophobicContact CB-CG2 4.33Å; A357-V362 VanDerWaalsContact O-CB 3.27Å; A357-V362 WeakPolarHBondContact O-CB 3.48Å; A357-V362 WeakPolarHBondContact O-CG2 3.4Å; A357-V362 PolarHBondContact O-N 3.27Å; A357-I364 HydrophobicContact CB-CD1 4.12Å
358	T	96	Very high	95.3	Very high	8 Å²	8	34.2 Å²	34.2	5%	0.049	20%	0.198	C	C	.	.	H	α-helix	trans	-66.4	-36.7	176.7	56.2	0	0	0	0	111.8	L354 S355 S360 G361 V362 I364 A388 L390	L354-T358 WeakPolarHBondContact O-CG2 3.35Å; L354-T358 PolarHBondContact O-N 3.26Å; L354-T358 PolarHBondContact O-OG1 3.32Å; S355-T358 WeakPolarHBondContact CA-OG1 3.06Å; S355-T358 PolarHBondContact O-N 2.77Å; S355-T358 PolarHBondContact O-OG1 3.03Å; T358-S360 VanDerWaalsContact C-N 3.34Å; T358-G361 PolarHBondContact O-N 2.7Å; T358-V362 WeakPolarHBondContact CA-O 3.35Å; T358-I364 HydrophobicContact CG2-CB 4.33Å; T358-I364 HydrophobicContact CG2-CD1 3.92Å; T358-I364 HydrophobicContact CG2-CG1 4.07Å; T358-A388 PolarHBondContact OG1-O 3.21Å; T358-L390 HydrophobicContact CG2-CD1 4.29Å
359	N	95.6	Very high	95.4	Very high	128 Å²	128	31.9 Å²	31.9	68%	0.684	18%	0.179	S	C	*	.	H	α-helix	trans	-68.7	-29.6	174.4	-70	-26.2	0	0	0	113	S355 A357 G361	S355-N359 VanDerWaalsContact O-CB 3.22Å; S355-N359 WeakPolarHBondContact O-CB 3.1Å; S355-N359 PolarHBondContact O-N 2.68Å; S355-N359 PolarHBondContact O-ND2 3.15Å; S355-N359 PolarHBondContact OG-ND2 3.21Å; A357-N359 VanDerWaalsContact C-N 3.32Å; A357-N359 PolarHBondContact O-N 2.83Å; N359-G361 PolarHBondContact O-N 3.15Å
360	S	93.6	Very high	95.4	Very high	92 Å²	92	32.2 Å²	32.2	64%	0.643	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.3	0.3	173.7	69.6	0	0	0	0	113.7	K356 A357 T358	K356-S360 WeakPolarHBondContact O-CB 3.39Å; K356-S360 PolarHBondContact O-N 3.45Å; K356-S360 PolarHBondContact O-OG 2.78Å; A357-S360 WeakPolarHBondContact CA-OG 3.45Å; A357-S360 PolarHBondContact O-N 2.78Å; A357-S360 PolarHBondContact O-OG 3.09Å; T358-S360 VanDerWaalsContact C-N 3.34Å
361	G	94.4	Very high	95.2	Very high	27 Å²	27	36.8 Å²	36.8	28%	0.278	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	99.7	4.6	175	0	0	0	0	0	115	A357 T358 N359 I363	A357-G361 PolarHBondContact O-N 2.82Å; T358-G361 PolarHBondContact O-N 2.7Å; N359-G361 PolarHBondContact O-N 3.15Å; G361-I363 PolarHBondContact O-N 2.65Å
362	V	97.4	Very high	95	Very high	8 Å²	8	44.7 Å²	44.7	5%	0.048	24%	0.237	C	C	.	.			trans	-71.8	124.7	174.2	-176.1	0	0	0	0	109.5	Q331 V333 A357 T358 I364	Q331-V362 WeakPolarHBondContact O-CA 3.31Å; V333-V362 HydrophobicContact CG2-CG1 4.47Å; A357-V362 HydrophobicContact CB-CB 4.25Å; A357-V362 HydrophobicContact CB-CG2 4.33Å; A357-V362 VanDerWaalsContact O-CB 3.27Å; A357-V362 WeakPolarHBondContact O-CB 3.48Å; A357-V362 WeakPolarHBondContact O-CG2 3.4Å; A357-V362 PolarHBondContact O-N 3.27Å; T358-V362 WeakPolarHBondContact CA-O 3.35Å; V362-I364 HydrophobicContact CG1-CG1 4.02Å; V362-I364 PolarHBondContact O-N 2.76Å
363	I	97.4	Very high	94.5	Very high	2 Å²	2	41.1 Å²	41.1	1%	0.01	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	114.2	174.3	-59.5	-176.8	0	0	0	108.9	Q331 G332 V333 G361 V365 L391 L405 L409 L416 Q419 K420	Q331-I363 PolarHBondContact O-N 3.43Å; G332-I363 CarbonylContact C-O 3.55Å; G332-I363 WeakPolarHBondContact CA-O 3.49Å; V333-I363 PolarHBondContact N-O 3.4Å; G361-I363 PolarHBondContact O-N 2.65Å; I363-V365 HydrophobicContact CG2-CG2 4.35Å; I363-L391 HydrophobicContact CG2-CD1 3.83Å; I363-L405 HydrophobicContact CB-CD1 3.95Å; I363-L405 HydrophobicContact CG2-CD1 3.75Å; I363-L409 HydrophobicContact CD1-CD2 3.76Å; I363-L409 HydrophobicContact CG1-CD2 4.26Å; I363-L416 HydrophobicContact CD1-CD1 3.96Å; I363-L416 HydrophobicContact CG1-CD1 3.85Å; I363-Q419 HydrophobicContact CD1-CB 3.87Å; I363-K420 HydrophobicContact CD1-CG 4.19Å; I363-K420 HydrophobicContact CG1-CG 4.33Å
364	I	97.8	Very high	94	Very high	1 Å²	1	43.8 Å²	43.8	1%	0.005	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	122.8	177.2	-53.3	-179.2	0	0	0	109.5	L326 V333 L335 L354 A357 T358 V362 L390 L391	L326-I364 HydrophobicContact CD1-CD1 4.48Å; L326-I364 HydrophobicContact CD2-CD1 4.05Å; V333-I364 HydrophobicContact CB-CG1 4.44Å; V333-I364 CarbonylContact O-C 3.48Å; V333-I364 VanDerWaalsContact O-CA 3.29Å; V333-I364 WeakPolarHBondContact O-CA 3.4Å; L335-I364 HydrophobicContact CB-CG2 3.92Å; L354-I364 HydrophobicContact CD2-CD1 4.05Å; A357-I364 HydrophobicContact CB-CD1 4.12Å; T358-I364 HydrophobicContact CG2-CB 4.33Å; T358-I364 HydrophobicContact CG2-CD1 3.92Å; T358-I364 HydrophobicContact CG2-CG1 4.07Å; V362-I364 HydrophobicContact CG1-CG1 4.02Å; V362-I364 PolarHBondContact O-N 2.76Å; I364-L390 HydrophobicContact CB-CD2 4.41Å; I364-L390 HydrophobicContact CB-CG 3.88Å; I364-L390 HydrophobicContact CG2-CD1 4.5Å; I364-L390 HydrophobicContact CG2-CD2 3.63Å; I364-L390 HydrophobicContact CG2-CG 3.66Å; I364-L390 WeakPolarHBondContact O-CA 3.47Å; I364-L391 PolarHBondContact O-N 2.98Å
365	V	96.1	Very high	93.4	Very high	2 Å²	2	44.2 Å²	44.2	1%	0.012	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	122.5	178.5	-176.3	0	0	0	0	109.3	V333 V334 L335 I363 M396 L405 M423	V333-V365 PolarHBondContact O-N 3.33Å; V334-V365 CarbonylContact C-O 3.53Å; V334-V365 WeakPolarHBondContact CA-O 3.31Å; L335-V365 PolarHBondContact N-O 2.9Å; I363-V365 HydrophobicContact CG2-CG2 4.35Å; V365-M396 HydrophobicContact CG1-CE 4.21Å; V365-L405 HydrophobicContact CG2-CD1 4.38Å; V365-L405 HydrophobicContact CG2-CD2 4.5Å; V365-M423 HydrophobicContact CG2-CE 3.69Å
366	N	95.1	Very high	92.3	Very high	5 Å²	5	44.2 Å²	44.2	3%	0.027	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	114.1	177.2	-177.8	6.6	0	0	0	110.3	T337 G341 V375 L385 L390 L391 G393	T337-N366 WeakPolarHBondContact CB-OD1 3.33Å; T337-N366 WeakPolarHBondContact CG2-OD1 3.36Å; T337-N366 PolarHBondContact OG1-OD1 3.18Å; G341-N366 PolarHBondContact O-ND2 3.23Å; N366-V375 HydrophobicContact CB-CG1 4.4Å; N366-V375 WeakPolarHBondContact O-CG2 3.42Å; N366-L385 WeakPolarHBondContact ND2-CD1 3.47Å; N366-L390 HydrophobicContact CB-CD2 4.35Å; N366-L391 WeakPolarHBondContact CB-O 3.31Å; N366-L391 PolarHBondContact N-O 3.34Å; N366-G393 VanDerWaalsContact O-CA 3.29Å; N366-G393 WeakPolarHBondContact O-CA 3.35Å; N366-G393 PolarHBondContact O-N 3.16Å
367	C	94.6	Very high	90.8	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.007	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	151.3	172.4	-76.4	0	0	0	0	110	V334 L335 E336 T337 A401	V334-C367 HydrophobicContact CG1-CB 3.99Å; L335-C367 PolarHBondContact O-N 2.91Å; E336-C367 CarbonylContact C-O 3.52Å; E336-C367 VanDerWaalsContact CA-O 3.27Å; E336-C367 WeakPolarHBondContact CA-O 3.28Å; T337-C367 PolarHBondContact N-O 2.71Å; T337-C367 PolarHBondContact OG1-O 3.46Å; C367-A401 VanDerWaalsContact SG-CB 3.54Å
368	T	93.9	Very high	89.1	Confident	12 Å²	12	46.3 Å²	46.3	7%	0.074	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	144.3	173.8	177.9	0	0	0	0	111.2	G339 C370	G339-T368 VanDerWaalsContact O-CB 3.29Å; G339-T368 WeakPolarHBondContact O-CB 3.49Å; G339-T368 PolarHBondContact O-OG1 3.13Å; T368-C370 HydrophobicContact CG2-CB 4.35Å; T368-C370 VanDerWaalsContact OG1-CB 3.3Å; T368-C370 WeakPolarHBondContact OG1-CB 3.3Å; T368-C370 PolarHBondContact OG1-N 3.12Å
369	Q	95.3	Very high	87.3	Confident	43 Å²	43	52.3 Å²	52.3	20%	0.201	30%	0.299	C	S	.	.	S	Bend	trans	-72.3	-17	166.7	-69.9	172.7	20.4	0	0	113.2	R312 L313 E336 T337	R312-Q369 HydrophobicContact CG-CG 4.23Å; L313-Q369 PolarHBondContact O-NE2 2.84Å; E336-Q369 HydrophobicContact CB-CG 3.64Å; E336-Q369 PolarHBondContact O-NE2 3.28Å; T337-Q369 WeakPolarHBondContact O-CB 3.49Å; T337-Q369 VanDerWaalsContact O-CG 3.25Å; T337-Q369 WeakPolarHBondContact O-CG 3.4Å; T337-Q369 PolarHBondContact O-N 2.88Å
370	C	93.2	Very high	85.6	Confident	61 Å²	61	49.5 Å²	49.5	41%	0.412	29%	0.294	S	S	.	.	S	Bend	trans	-69.2	136.3	179.2	-64.7	0	0	0	0	109.7	T368 R372	T368-C370 HydrophobicContact CG2-CB 4.35Å; T368-C370 VanDerWaalsContact OG1-CB 3.3Å; T368-C370 WeakPolarHBondContact OG1-CB 3.3Å; T368-C370 PolarHBondContact OG1-N 3.12Å; C370-R372 WeakPolarHBondContact CB-O 3.26Å; C370-R372 PolarHBondContact O-N 3.29Å
371	L	90.4	Very high	83.9	Confident	99 Å²	99	46.7 Å²	46.7	52%	0.518	27%	0.272	S	S	.	.	S	Bend	trans	-57.3	-38	177.9	179.8	61.5	0	0	0	111.9	T257 V259 T268 P270	T257-L371 HydrophobicContact CG2-CD1 3.53Å; V259-L371 HydrophobicContact CG1-CD1 3.85Å; V259-L371 HydrophobicContact CG1-CD2 4.14Å; T268-L371 HydrophobicContact CG2-CD1 4.19Å; T268-L371 HydrophobicContact CG2-CD2 4.45Å; P270-L371 HydrophobicContact CB-CD1 4.27Å; P270-L371 HydrophobicContact CB-CG 4.11Å; P270-L371 WeakPolarHBondContact CB-O 3.29Å; P270-L371 HydrophobicContact CG-CD1 4.3Å; P270-L371 WeakPolarHBondContact CG-O 3.48Å
372	R	88.8	Confident	82.6	Confident	195 Å²	195	45.5 Å²	45.5	74%	0.736	26%	0.26	S	S	*	.	S	Bend	trans	-124	141.5	177.9	-173.6	177.5	-178.2	-174.8	-0.1	110	P270 N271 C370	P270-R372 HydrophobicContact CB-CB 4.33Å; N271-R372 WeakPolarHBondContact OD1-CG 3.4Å; C370-R372 WeakPolarHBondContact CB-O 3.26Å; C370-R372 PolarHBondContact O-N 3.29Å
373	G	84.2	Confident	81.7	Confident	30 Å²	30	52.1 Å²	52.1	31%	0.309	28%	0.284	S	S	.	.			trans	139.4	178	177.5	0	0	0	0	0	112.9	N271 D395	N271-G373 PolarHBondContact ND2-O 2.87Å; N271-G373 PolarHBondContact OD1-N 3.19Å; G373-D395 WeakPolarHBondContact O-CB 3.15Å
374	T	86.2	Confident	81.1	Confident	69 Å²	69	53.4 Å²	53.4	42%	0.423	29%	0.292	S	S	.	.			trans	-127.3	146.4	174.9	-171.9	0	0	0	0	109.6	S376 G394	T374-S376 PolarHBondContact O-N 2.83Å; T374-G394 WeakPolarHBondContact CA-O 3.44Å; T374-G394 VanDerWaalsContact OG1-C 3.28Å
375	V	82.9	Confident	80.6	Confident	11 Å²	11	53.4 Å²	53.4	7%	0.067	29%	0.292	C	S	.	.			trans	-73	122	168.9	169.4	0	0	0	0	109	S340 N366 A392 G394	S340-V375 CarbonylContact O-C 3.6Å; S340-V375 WeakPolarHBondContact O-CA 3.23Å; N366-V375 HydrophobicContact CB-CG1 4.4Å; N366-V375 WeakPolarHBondContact O-CG2 3.42Å; V375-A392 HydrophobicContact CG1-CB 4.19Å; V375-G394 PolarHBondContact N-O 3.14Å
376	S	72.9	Confident	80.1	Confident	36 Å²	36	57 Å²	57	25%	0.252	31%	0.31	S	S	.	.			trans	-126.9	143.3	-176.9	175.9	0	0	0	0	111.6	S340 T374 S378	S340-S376 PolarHBondContact O-N 2.82Å; T374-S376 PolarHBondContact O-N 2.83Å; S376-S378 PolarHBondContact O-N 3.46Å; S376-S378 PolarHBondContact OG-N 3.19Å; S376-S378 VanDerWaalsContact OG-N 3.15Å; S376-S378 PolarHBondContact OG-OG 2.98Å
377	A	64	Low	79.7	Confident	42 Å²	42	63.2 Å²	63.2	35%	0.347	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.8	3.6	173	0	0	0	0	0	114.1	Y379 R383 M386	A377-Y379 PolarHBondContact O-N 3.45Å; A377-Y379 VanDerWaalsContact O-N 3.12Å; A377-R383 WeakPolarHBondContact O-CG 3.17Å; A377-M386 HydrophobicContact CB-CE 3.65Å; A377-M386 HydrophobicContact CB-SD 3.76Å
378	S	60.4	Low	79.4	Confident	100 Å²	100	63.6 Å²	63.6	70%	0.699	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-18.2	-172.7	-56.8	0	0	0	0	114.8	S376	S376-S378 PolarHBondContact O-N 3.46Å; S376-S378 PolarHBondContact OG-N 3.19Å; S376-S378 VanDerWaalsContact OG-N 3.15Å; S376-S378 PolarHBondContact OG-OG 2.98Å
379	Y	60.2	Low	79.3	Confident	135 Å²	135	64.5 Å²	64.5	53%	0.529	35%	0.354	S	S	.	.	S	Bend	trans	-108.8	145.9	-179.7	-66.8	-90.5	0	0	0	111.8	S340 A377 T381 G382 R383	S340-Y379 WeakPolarHBondContact OG-CD2 3.04Å; S340-Y379 WeakPolarHBondContact OG-CE2 3.48Å; A377-Y379 PolarHBondContact O-N 3.45Å; A377-Y379 VanDerWaalsContact O-N 3.12Å; Y379-T381 PolarHBondContact O-N 3.27Å; Y379-G382 WeakPolarHBondContact O-CA 3.46Å; Y379-G382 PolarHBondContact O-N 3.15Å; Y379-R383 PolarHBondContact O-N 3.38Å
380	A	58.6	Low	79.2	Confident	69 Å²	69	62.9 Å²	62.9	57%	0.57	35%	0.347	S	S	*	.	H	α-helix	trans	-55.3	-39.8	176.4	0	0	0	0	0	112.3	G382 R383 V384	A380-G382 VanDerWaalsContact C-N 3.27Å; A380-G382 PolarHBondContact O-N 2.82Å; A380-R383 PolarHBondContact O-N 3.41Å; A380-V384 PolarHBondContact O-N 3.3Å; A380-V384 VanDerWaalsContact O-N 3.17Å
381	T	57.7	Low	79.2	Confident	32 Å²	32	61.8 Å²	61.8	20%	0.196	34%	0.336	C	S	.	.	H	α-helix	trans	-68.6	-18	176.1	46.5	0	0	0	0	114.6	N342 A343 D345 Y379 V384	N342-T381 PolarHBondContact OD1-OG1 3.15Å; A343-T381 PolarHBondContact N-O 2.94Å; A343-T381 WeakPolarHBondContact O-CB 3.45Å; D345-T381 HydrophobicContact CB-CG2 3.97Å; D345-T381 WeakPolarHBondContact OD2-CG2 3.31Å; Y379-T381 PolarHBondContact O-N 3.27Å; T381-V384 VanDerWaalsContact O-CG2 3.23Å; T381-V384 WeakPolarHBondContact O-CG2 3.42Å
382	G	67.8	Low	79.2	Confident	2 Å²	2	58.9 Å²	58.9	2%	0.021	33%	0.326	C	S	.	.	H	α-helix	trans	-87.3	-34.9	169.5	0	0	0	0	0	112.3	Y379 A380 L385	Y379-G382 WeakPolarHBondContact O-CA 3.46Å; Y379-G382 PolarHBondContact O-N 3.15Å; A380-G382 VanDerWaalsContact C-N 3.27Å; A380-G382 PolarHBondContact O-N 2.82Å; G382-L385 PolarHBondContact O-N 2.83Å
383	R	78.6	Confident	79.2	Confident	147 Å²	147	49.6 Å²	49.6	56%	0.555	29%	0.291	S	S	*	.	H	α-helix	trans	-64.1	-40	177.2	-73.2	-173.6	59.9	155.8	1	113	A377 Y379 A380 L385 M386 E387	A377-R383 WeakPolarHBondContact O-CG 3.17Å; Y379-R383 PolarHBondContact O-N 3.38Å; A380-R383 PolarHBondContact O-N 3.41Å; R383-L385 PolarHBondContact O-N 3.26Å; R383-M386 WeakPolarHBondContact O-CB 3.47Å; R383-M386 PolarHBondContact O-N 3.35Å; R383-E387 WeakPolarHBondContact O-CG 3.22Å; R383-E387 PolarHBondContact O-N 2.85Å
384	V	83.9	Confident	79.5	Confident	30 Å²	30	48.8 Å²	48.8	18%	0.182	28%	0.284	C	S	.	.	H	α-helix	trans	-58.8	-30.8	178.3	-66.9	0	0	0	0	113	D345 L351 A380 T381 A388	D345-V384 HydrophobicContact CB-CG1 4.27Å; D345-V384 HydrophobicContact CB-CG2 4.21Å; L351-V384 HydrophobicContact CD1-CB 4.13Å; L351-V384 HydrophobicContact CD1-CG2 4.43Å; L351-V384 HydrophobicContact CD2-CB 4.39Å; L351-V384 HydrophobicContact CD2-CG2 4.25Å; A380-V384 PolarHBondContact O-N 3.3Å; A380-V384 VanDerWaalsContact O-N 3.17Å; T381-V384 VanDerWaalsContact O-CG2 3.23Å; T381-V384 WeakPolarHBondContact O-CG2 3.42Å; V384-A388 WeakPolarHBondContact O-CB 3.43Å; V384-A388 PolarHBondContact O-N 3.09Å
385	L	87.4	Confident	79.8	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-73.3	-37.5	175.3	-69.8	179.8	0	0	0	112.1	T337 G341 A343 L351 L354 N366 G382 R383 E387 A388 G389 L390	T337-L385 HydrophobicContact CG2-CD1 3.94Å; G341-L385 WeakPolarHBondContact O-CD1 3.14Å; A343-L385 HydrophobicContact CB-CD1 3.73Å; A343-L385 HydrophobicContact CB-CD2 3.69Å; A343-L385 HydrophobicContact CB-CG 3.88Å; L351-L385 HydrophobicContact CD2-CD2 4.03Å; L354-L385 HydrophobicContact CD1-CD2 3.77Å; N366-L385 WeakPolarHBondContact ND2-CD1 3.47Å; G382-L385 PolarHBondContact O-N 2.83Å; R383-L385 PolarHBondContact O-N 3.26Å; L385-E387 VanDerWaalsContact C-N 3.34Å; L385-A388 CarbonylContact O-C 3.55Å; L385-A388 PolarHBondContact O-N 3.12Å; L385-G389 PolarHBondContact O-N 2.82Å; L385-L390 HydrophobicContact CB-CB 4.45Å; L385-L390 HydrophobicContact CB-CD2 4.21Å; L385-L390 HydrophobicContact CD1-CD2 4.47Å; L385-L390 HydrophobicContact CD2-CD2 4.04Å; L385-L390 HydrophobicContact CG-CD2 4.48Å; L385-L390 WeakPolarHBondContact O-CB 3.43Å; L385-L390 WeakPolarHBondContact O-CD1 3.29Å; L385-L390 PolarHBondContact O-N 3.09Å
386	M	85.1	Confident	80.5	Confident	77 Å²	77	46 Å²	46	38%	0.379	27%	0.265	S	S	.	.	H	α-helix	trans	-66	-39.9	173.7	-63.9	-173.2	174.2	0	0	111.1	A377 R383 A388 G389 A392	A377-M386 HydrophobicContact CB-CE 3.65Å; A377-M386 HydrophobicContact CB-SD 3.76Å; R383-M386 WeakPolarHBondContact O-CB 3.47Å; R383-M386 PolarHBondContact O-N 3.35Å; M386-A388 VanDerWaalsContact C-N 3.28Å; M386-A388 PolarHBondContact O-N 3.25Å; M386-G389 WeakPolarHBondContact O-CA 3.3Å; M386-G389 PolarHBondContact O-N 3.3Å; M386-A392 HydrophobicContact CE-CB 4.07Å
387	E	87.1	Confident	81.6	Confident	137 Å²	137	44.7 Å²	44.7	64%	0.64	26%	0.256	S	S	*	.	H	α-helix	trans	-63.7	-33.5	174	-70.2	170	-170.1	0	0	111.8	R383 L385 G389	R383-E387 WeakPolarHBondContact O-CG 3.22Å; R383-E387 PolarHBondContact O-N 2.85Å; L385-E387 VanDerWaalsContact C-N 3.34Å; E387-G389 PolarHBondContact O-N 2.96Å
388	A	89.5	Confident	83.2	Confident	9 Å²	9	43.8 Å²	43.8	7%	0.074	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	0.9	170.6	0	0	0	0	0	114	T358 V384 L385 M386 L390	T358-A388 PolarHBondContact OG1-O 3.21Å; V384-A388 WeakPolarHBondContact O-CB 3.43Å; V384-A388 PolarHBondContact O-N 3.09Å; L385-A388 CarbonylContact O-C 3.55Å; L385-A388 PolarHBondContact O-N 3.12Å; M386-A388 VanDerWaalsContact C-N 3.28Å; M386-A388 PolarHBondContact O-N 3.25Å; A388-L390 HydrophobicContact CB-CD1 3.98Å
389	G	90.6	Very high	85	Confident	31 Å²	31	39.7 Å²	39.7	32%	0.32	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	90.4	13.6	173.7	0	0	0	0	0	115.6	L385 M386 E387	L385-G389 PolarHBondContact O-N 2.82Å; M386-G389 WeakPolarHBondContact O-CA 3.3Å; M386-G389 PolarHBondContact O-N 3.3Å; E387-G389 PolarHBondContact O-N 2.96Å
390	L	93.9	Very high	86.8	Confident	9 Å²	9	33.2 Å²	33.2	5%	0.047	19%	0.191	C	C	.	.	P	Polyproline II helix	trans	-76.8	147.3	176.2	-75.5	71.3	0	0	0	111.4	L335 L354 T358 I364 N366 L385 A388	L335-L390 HydrophobicContact CD2-CD2 3.59Å; L354-L390 HydrophobicContact CB-CD1 4.17Å; L354-L390 HydrophobicContact CD1-CD1 4.48Å; T358-L390 HydrophobicContact CG2-CD1 4.29Å; I364-L390 HydrophobicContact CB-CD2 4.41Å; I364-L390 HydrophobicContact CB-CG 3.88Å; I364-L390 HydrophobicContact CG2-CD1 4.5Å; I364-L390 HydrophobicContact CG2-CD2 3.63Å; I364-L390 HydrophobicContact CG2-CG 3.66Å; I364-L390 WeakPolarHBondContact O-CA 3.47Å; N366-L390 HydrophobicContact CB-CD2 4.35Å; L385-L390 HydrophobicContact CB-CB 4.45Å; L385-L390 HydrophobicContact CB-CD2 4.21Å; L385-L390 HydrophobicContact CD1-CD2 4.47Å; L385-L390 HydrophobicContact CD2-CD2 4.04Å; L385-L390 HydrophobicContact CG-CD2 4.48Å; L385-L390 WeakPolarHBondContact O-CB 3.43Å; L385-L390 WeakPolarHBondContact O-CD1 3.29Å; L385-L390 PolarHBondContact O-N 3.09Å; A388-L390 HydrophobicContact CB-CD1 3.98Å
391	L	92	Very high	88.7	Confident	37 Å²	37	30 Å²	30	19%	0.194	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	141	173	-58.9	179.5	0	0	0	110.7	I363 I364 N366 G393 K420 M423	I363-L391 HydrophobicContact CG2-CD1 3.83Å; I364-L391 PolarHBondContact O-N 2.98Å; N366-L391 WeakPolarHBondContact CB-O 3.31Å; N366-L391 PolarHBondContact N-O 3.34Å; L391-G393 PolarHBondContact O-N 2.89Å; L391-K420 HydrophobicContact CD1-CB 4.04Å; L391-K420 HydrophobicContact CD1-CG 4.14Å; L391-K420 HydrophobicContact CD2-CB 4.37Å; L391-M423 HydrophobicContact CD1-CB 3.8Å
392	A	91.4	Very high	90.6	Very high	38 Å²	38	30 Å²	30	31%	0.314	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	127.3	169.5	0	0	0	0	0	110.5	V375 M386 G394	V375-A392 HydrophobicContact CG1-CB 4.19Å; M386-A392 HydrophobicContact CE-CB 4.07Å; A392-G394 VanDerWaalsContact C-N 3.26Å
393	G	89.8	Confident	92.1	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.163	C	C	.	.			trans	-81.1	-2.6	173	0	0	0	0	0	113.9	N366 L391 D395 M396	N366-G393 VanDerWaalsContact O-CA 3.29Å; N366-G393 WeakPolarHBondContact O-CA 3.35Å; N366-G393 PolarHBondContact O-N 3.16Å; L391-G393 PolarHBondContact O-N 2.89Å; G393-D395 PolarHBondContact O-N 3.31Å; G393-M396 WeakPolarHBondContact O-CB 3.49Å; G393-M396 WeakPolarHBondContact O-CE 3.33Å; G393-M396 VanDerWaalsContact O-CG 3.3Å; G393-M396 WeakPolarHBondContact O-CG 3.21Å; G393-M396 PolarHBondContact O-N 3.04Å
394	G	90.5	Very high	93	Very high	14 Å²	14	23.1 Å²	23.1	14%	0.144	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.2	-127.9	-175.7	0	0	0	0	0	111.6	T374 V375 A392	T374-G394 WeakPolarHBondContact CA-O 3.44Å; T374-G394 VanDerWaalsContact OG1-C 3.28Å; V375-G394 PolarHBondContact N-O 3.14Å; A392-G394 VanDerWaalsContact C-N 3.26Å
395	D	92.4	Very high	93.7	Very high	13 Å²	13	21.7 Å²	21.7	7%	0.07	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.8	20.8	179.2	71	-24.9	0	0	0	113.3	R255 N271 G373 G393 M431 S432	R255-D395 IonicContact CZ-OD2 3.06Å; R255-D395 IonicContact NH1-OD1 2.68Å; R255-D395 PolarHBondContact NH1-OD1 2.89Å; R255-D395 IonicContact NH1-OD2 3.76Å; R255-D395 PolarHBondContact NH1-OD2 3.06Å; R255-D395 IonicContact NH2-OD2 2.69Å; N271-D395 HydrophobicContact CB-CB 4.08Å; N271-D395 PolarHBondContact ND2-O 3.29Å; G373-D395 WeakPolarHBondContact O-CB 3.15Å; G393-D395 PolarHBondContact O-N 3.31Å; D395-M431 VanDerWaalsContact OD1-CA 3.28Å; D395-M431 WeakPolarHBondContact OD1-CA 3.45Å; D395-S432 PolarHBondContact OD1-N 2.96Å; D395-S432 WeakPolarHBondContact OD2-CB 3.38Å; D395-S432 PolarHBondContact OD2-OG 3.19Å
396	M	95.8	Very high	94.2	Very high	8 Å²	8	22 Å²	22	4%	0.039	13%	0.131	C	C	.	.			trans	-63.3	145.3	174.6	-70.9	-170.3	-72.1	0	0	111.5	V365 G393 A401 K404 E430 M431	V365-M396 HydrophobicContact CG1-CE 4.21Å; G393-M396 WeakPolarHBondContact O-CB 3.49Å; G393-M396 WeakPolarHBondContact O-CE 3.33Å; G393-M396 VanDerWaalsContact O-CG 3.3Å; G393-M396 WeakPolarHBondContact O-CG 3.21Å; G393-M396 PolarHBondContact O-N 3.04Å; M396-A401 HydrophobicContact CB-CB 4.29Å; M396-A401 HydrophobicContact CE-CB 4.19Å; M396-A401 HydrophobicContact SD-CB 4.41Å; M396-K404 HydrophobicContact CE-CD 4.42Å; M396-K404 HydrophobicContact SD-CD 3.75Å; M396-E430 HydrophobicContact CG-CG 3.93Å; M396-E430 HydrophobicContact SD-CG 3.65Å; M396-M431 HydrophobicContact CE-CE 3.85Å; M396-M431 HydrophobicContact CG-CB 3.6Å; M396-M431 HydrophobicContact CG-CE 4.25Å; M396-M431 HydrophobicContact SD-CB 4.39Å; M396-M431 HydrophobicContact SD-CE 4.24Å; M396-M431 HydrophobicContact SD-SD 4.43Å
397	T	97.6	Very high	94.8	Very high	8 Å²	8	18.6 Å²	18.6	5%	0.049	11%	0.113	C	C	.	.			trans	-73	156.2	164.5	79.9	0	0	0	0	110.1	E399 A400 A401	T397-E399 VanDerWaalsContact C-N 3.26Å; T397-E399 WeakPolarHBondContact CB-OE2 3.45Å; T397-E399 PolarHBondContact O-N 3.31Å; T397-E399 PolarHBondContact OG1-OE2 2.73Å; T397-A400 PolarHBondContact O-N 3.22Å; T397-A400 PolarHBondContact OG1-N 3.28Å; T397-A401 WeakPolarHBondContact O-CB 3.49Å; T397-A401 PolarHBondContact O-N 2.84Å
398	P	97.3	Very high	95.2	Very high	24 Å²	24	12 Å²	12	16%	0.156	8%	0.083	C	C	.	.	H	α-helix	trans	-58.5	-36.2	177	-23.7	33.7	0	0	0	113.4	L310 E336 A401 L402	L310-P398 HydrophobicContact CD1-CB 3.66Å; E336-P398 VanDerWaalsContact OE1-CG 3.26Å; E336-P398 WeakPolarHBondContact OE1-CG 3.33Å; P398-A401 PolarHBondContact O-N 3.49Å; P398-L402 VanDerWaalsContact O-CB 3.28Å; P398-L402 WeakPolarHBondContact O-CB 3.4Å; P398-L402 PolarHBondContact O-N 3.48Å
399	E	98.3	Very high	95.6	Very high	13 Å²	13	12.3 Å²	12.3	6%	0.061	8%	0.083	C	C	.	.	H	α-helix	trans	-64	-42.8	177.3	-53.9	93.1	151.1	0	0	111.8	A190 Y191 T257 T397 S403	A190-E399 HydrophobicContact CB-CB 4.49Å; A190-E399 HydrophobicContact CB-CG 3.97Å; Y191-E399 HydrophobicContact CD1-CB 3.85Å; Y191-E399 HydrophobicContact CD1-CG 3.84Å; Y191-E399 HydrophobicContact CD2-CG 3.88Å; Y191-E399 HydrophobicContact CE1-CB 4Å; Y191-E399 HydrophobicContact CE1-CG 3.69Å; Y191-E399 HydrophobicContact CE2-CG 3.72Å; Y191-E399 HydrophobicContact CG-CB 4.18Å; Y191-E399 HydrophobicContact CG-CG 3.94Å; T257-E399 WeakPolarHBondContact CB-OE1 3.33Å; T257-E399 PolarHBondContact OG1-OE1 3.07Å; T397-E399 VanDerWaalsContact C-N 3.26Å; T397-E399 WeakPolarHBondContact CB-OE2 3.45Å; T397-E399 PolarHBondContact O-N 3.31Å; T397-E399 PolarHBondContact OG1-OE2 2.73Å; E399-S403 VanDerWaalsContact O-CB 3.29Å; E399-S403 WeakPolarHBondContact O-CB 3.46Å; E399-S403 PolarHBondContact O-N 2.99Å; E399-S403 PolarHBondContact O-OG 3.31Å
400	A	98.2	Very high	95.9	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-68.3	-45	177.2	0	0	0	0	0	111.5	N254 T397 L402 S403 K404 E430	N254-A400 HydrophobicContact CB-CB 4.31Å; N254-A400 WeakPolarHBondContact O-CB 3.2Å; T397-A400 PolarHBondContact O-N 3.22Å; T397-A400 PolarHBondContact OG1-N 3.28Å; A400-L402 PolarHBondContact O-N 2.89Å; A400-S403 PolarHBondContact O-N 3.43Å; A400-K404 WeakPolarHBondContact O-CB 3.34Å; A400-K404 PolarHBondContact O-N 3.16Å; A400-E430 HydrophobicContact CB-CB 4.27Å
401	A	97.9	Very high	95.9	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-61	-43.4	177.4	0	0	0	0	0	111.8	V334 C367 M396 T397 P398 L405	V334-A401 HydrophobicContact CG1-CB 4.07Å; V334-A401 HydrophobicContact CG2-CB 3.88Å; C367-A401 VanDerWaalsContact SG-CB 3.54Å; M396-A401 HydrophobicContact CB-CB 4.29Å; M396-A401 HydrophobicContact CE-CB 4.19Å; M396-A401 HydrophobicContact SD-CB 4.41Å; T397-A401 WeakPolarHBondContact O-CB 3.49Å; T397-A401 PolarHBondContact O-N 2.84Å; P398-A401 PolarHBondContact O-N 3.49Å; A401-L405 WeakPolarHBondContact O-CB 3.19Å; A401-L405 PolarHBondContact O-N 3.3Å
402	L	98.1	Very high	95.8	Very high	32 Å²	32	18.9 Å²	18.9	17%	0.168	10%	0.102	C	C	.	.	H	α-helix	trans	-66.3	-44.9	178.8	-171.6	69	0	0	0	111.3	Y191 V308 V334 P398 A400 L405 S406	Y191-L402 HydrophobicContact CD1-CD2 4.42Å; Y191-L402 HydrophobicContact CE1-CD2 3.96Å; V308-L402 HydrophobicContact CB-CD1 4.03Å; V308-L402 HydrophobicContact CG2-CD1 3.79Å; V308-L402 HydrophobicContact CG2-CG 4.3Å; V334-L402 HydrophobicContact CG2-CB 4.07Å; V334-L402 HydrophobicContact CG2-CD1 4.11Å; P398-L402 VanDerWaalsContact O-CB 3.28Å; P398-L402 WeakPolarHBondContact O-CB 3.4Å; P398-L402 PolarHBondContact O-N 3.48Å; A400-L402 PolarHBondContact O-N 2.89Å; L402-L405 PolarHBondContact O-N 3.31Å; L402-S406 WeakPolarHBondContact O-CB 3.29Å; L402-S406 PolarHBondContact O-N 2.91Å
403	S	98.1	Very high	95.9	Very high	6 Å²	6	22.9 Å²	22.9	4%	0.042	11%	0.114	C	C	.	.	H	α-helix	trans	-63.9	-43.4	178.1	-59.1	0	0	0	0	111.6	S194 A195 E399 A400 S406 Y407	S194-S403 VanDerWaalsContact CB-OG 3.29Å; S194-S403 WeakPolarHBondContact CB-OG 3.45Å; A195-S403 PolarHBondContact N-OG 3.07Å; E399-S403 VanDerWaalsContact O-CB 3.29Å; E399-S403 WeakPolarHBondContact O-CB 3.46Å; E399-S403 PolarHBondContact O-N 2.99Å; E399-S403 PolarHBondContact O-OG 3.31Å; A400-S403 PolarHBondContact O-N 3.43Å; S403-S406 PolarHBondContact O-N 3.18Å; S403-Y407 WeakPolarHBondContact O-CB 3.36Å; S403-Y407 PolarHBondContact O-N 3.41Å
404	K	98	Very high	96	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-62	-45.8	176.2	-168.2	-176.2	-177	175.5	0	111.2	F198 M396 A400 Y407 V408 M423 Q425 L427 E430 M431	F198-K404 HydrophobicContact CD1-CG 4.39Å; F198-K404 HydrophobicContact CD2-CB 4.38Å; F198-K404 HydrophobicContact CE1-CB 3.93Å; F198-K404 HydrophobicContact CE1-CD 4.27Å; F198-K404 HydrophobicContact CE1-CG 3.7Å; F198-K404 HydrophobicContact CE2-CB 3.72Å; F198-K404 HydrophobicContact CE2-CG 4.41Å; F198-K404 HydrophobicContact CZ-CB 3.47Å; F198-K404 VanDerWaalsContact CZ-CB 3.47Å; F198-K404 HydrophobicContact CZ-CD 4.17Å; F198-K404 HydrophobicContact CZ-CG 3.72Å; M396-K404 HydrophobicContact CE-CD 4.42Å; M396-K404 HydrophobicContact SD-CD 3.75Å; A400-K404 WeakPolarHBondContact O-CB 3.34Å; A400-K404 PolarHBondContact O-N 3.16Å; K404-Y407 PolarHBondContact O-N 2.86Å; K404-V408 HydrophobicContact CG-CG2 4.43Å; K404-V408 WeakPolarHBondContact O-CB 3.35Å; K404-V408 WeakPolarHBondContact O-CG2 3.24Å; K404-V408 PolarHBondContact O-N 2.68Å; K404-M423 HydrophobicContact CB-CE 4.08Å; K404-M423 HydrophobicContact CB-SD 4.29Å; K404-M423 HydrophobicContact CD-CE 3.95Å; K404-M423 HydrophobicContact CD-SD 4.06Å; K404-M423 WeakPolarHBondContact CE-O 3.36Å; K404-M423 HydrophobicContact CG-CE 3.95Å; K404-M423 HydrophobicContact CG-SD 3.71Å; K404-M423 PolarHBondContact NZ-O 2.87Å; K404-Q425 WeakPolarHBondContact CE-O 3.12Å; K404-Q425 PolarHBondContact NZ-O 3.27Å; K404-L427 HydrophobicContact CD-CD1 4.46Å; K404-L427 HydrophobicContact CG-CD1 4.14Å; K404-E430 HydrophobicContact CD-CG 4.32Å; K404-E430 WeakPolarHBondContact CE-OE1 3.49Å; K404-E430 IonicContact NZ-OE1 3.38Å; K404-E430 PolarHBondContact NZ-OE1 2.9Å; K404-M431 PolarHBondContact NZ-SD 3.41Å
405	L	97.9	Very high	96.3	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-61.4	-46.5	178.6	-176.4	58.1	0	0	0	111.3	V308 G332 V334 I363 V365 A401 L402 Y407 V408 L409 M423	V308-L405 HydrophobicContact CG1-CD2 4.38Å; V308-L405 HydrophobicContact CG1-CG 4.06Å; G332-L405 VanDerWaalsContact C-CD2 3.49Å; V334-L405 HydrophobicContact CG2-CD2 4.19Å; I363-L405 HydrophobicContact CB-CD1 3.95Å; I363-L405 HydrophobicContact CG2-CD1 3.75Å; V365-L405 HydrophobicContact CG2-CD1 4.38Å; V365-L405 HydrophobicContact CG2-CD2 4.5Å; A401-L405 WeakPolarHBondContact O-CB 3.19Å; A401-L405 PolarHBondContact O-N 3.3Å; L402-L405 PolarHBondContact O-N 3.31Å; L405-Y407 VanDerWaalsContact C-N 3.34Å; L405-Y407 PolarHBondContact O-N 3.36Å; L405-V408 PolarHBondContact O-N 3.37Å; L405-L409 HydrophobicContact CD1-CD1 3.79Å; L405-L409 HydrophobicContact CD1-CG 4.11Å; L405-L409 HydrophobicContact CG-CD1 3.92Å; L405-L409 VanDerWaalsContact O-CB 3.31Å; L405-L409 WeakPolarHBondContact O-CB 3.27Å; L405-L409 VanDerWaalsContact O-CG 3.29Å; L405-L409 WeakPolarHBondContact O-CG 3.31Å; L405-L409 PolarHBondContact O-N 3.09Å; L405-M423 HydrophobicContact CB-CE 3.79Å; L405-M423 HydrophobicContact CB-SD 4.39Å; L405-M423 HydrophobicContact CD1-CE 4.09Å; L405-M423 HydrophobicContact CD1-CG 4.46Å; L405-M423 HydrophobicContact CD1-SD 4.31Å
406	S	97.9	Very high	96.4	Very high	7 Å²	7	31.9 Å²	31.9	5%	0.049	16%	0.162	C	C	.	.	H	α-helix	trans	-58.6	-44.3	175	-173.5	0	0	0	0	112.3	L304 N305 L402 S403 A410	L304-S406 WeakPolarHBondContact CB-OG 3.49Å; N305-S406 WeakPolarHBondContact CB-O 3.12Å; N305-S406 PolarHBondContact N-O 3.15Å; N305-S406 PolarHBondContact N-OG 3.33Å; N305-S406 WeakPolarHBondContact O-CB 3.22Å; N305-S406 PolarHBondContact O-OG 2.85Å; L402-S406 WeakPolarHBondContact O-CB 3.29Å; L402-S406 PolarHBondContact O-N 2.91Å; S403-S406 PolarHBondContact O-N 3.18Å; S406-A410 WeakPolarHBondContact O-CB 3.33Å; S406-A410 PolarHBondContact O-N 2.89Å; S406-A410 VanDerWaalsContact O-N 3.15Å
407	Y	97.8	Very high	96.3	Very high	4 Å²	4	37.2 Å²	37.2	2%	0.016	19%	0.191	C	C	.	.	H	α-helix	trans	-67.1	-44.7	178.6	168.3	-99.1	0	0	0	112.9	F198 E201 S403 K404 L405 A410 K411 M422 L427 R428	F198-Y407 HydrophobicContact CB-CD1 4.12Å; F198-Y407 HydrophobicContact CB-CD2 3.96Å; F198-Y407 HydrophobicContact CB-CE2 4.48Å; F198-Y407 HydrophobicContact CB-CG 3.75Å; F198-Y407 HydrophobicContact CD1-CD1 4.25Å; F198-Y407 HydrophobicContact CG-CD1 4.45Å; F198-Y407 HydrophobicContact CG-CG 4.41Å; F198-Y407 WeakPolarHBondContact O-CE2 3.31Å; E201-Y407 VanDerWaalsContact CD-OH 3.32Å; E201-Y407 WeakPolarHBondContact OE1-CE2 3.17Å; E201-Y407 PolarHBondContact OE1-OH 2.96Å; S403-Y407 WeakPolarHBondContact O-CB 3.36Å; S403-Y407 PolarHBondContact O-N 3.41Å; K404-Y407 PolarHBondContact O-N 2.86Å; L405-Y407 VanDerWaalsContact C-N 3.34Å; L405-Y407 PolarHBondContact O-N 3.36Å; Y407-A410 WeakPolarHBondContact O-CB 3.33Å; Y407-A410 PolarHBondContact O-N 2.78Å; Y407-K411 VanDerWaalsContact CE1-CE 3.44Å; Y407-K411 WeakPolarHBondContact OH-CE 3.29Å; Y407-K411 PolarHBondContact OH-NZ 3.47Å; Y407-K411 VanDerWaalsContact OH-NZ 3.15Å; Y407-M422 HydrophobicContact CE1-CE 3.99Å; Y407-L427 HydrophobicContact CE1-CD1 4.43Å; Y407-R428 PolarHBondContact OH-NH2 3.25Å
408	V	97.3	Very high	96.1	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-67.6	-43.2	-179.9	171	0	0	0	0	111	K404 L405 A410 K411 Q419 M422 M423 L427	K404-V408 HydrophobicContact CG-CG2 4.43Å; K404-V408 WeakPolarHBondContact O-CB 3.35Å; K404-V408 WeakPolarHBondContact O-CG2 3.24Å; K404-V408 PolarHBondContact O-N 2.68Å; L405-V408 PolarHBondContact O-N 3.37Å; V408-A410 PolarHBondContact O-N 3.37Å; V408-K411 WeakPolarHBondContact O-CB 3.5Å; V408-K411 PolarHBondContact O-N 2.94Å; V408-Q419 HydrophobicContact CG1-CB 3.61Å; V408-Q419 HydrophobicContact CG1-CG 3.85Å; V408-Q419 WeakPolarHBondContact CG1-O 3.33Å; V408-M422 HydrophobicContact CG1-CB 4.27Å; V408-M422 HydrophobicContact CG1-SD 4.45Å; V408-M422 HydrophobicContact CG2-CB 4.33Å; V408-M422 HydrophobicContact CG2-CG 3.9Å; V408-M422 HydrophobicContact CG2-SD 3.95Å; V408-M423 HydrophobicContact CB-CG 4.24Å; V408-M423 HydrophobicContact CB-SD 3.74Å; V408-M423 HydrophobicContact CG1-CG 4.08Å; V408-M423 HydrophobicContact CG1-SD 4.25Å; V408-M423 HydrophobicContact CG2-CG 4.29Å; V408-M423 HydrophobicContact CG2-SD 3.55Å; V408-M423 VanDerWaalsContact CG2-SD 3.55Å; V408-L427 HydrophobicContact CG2-CD1 4.32Å
409	L	97	Very high	96.1	Very high	14 Å²	14	38.2 Å²	38.2	7%	0.073	20%	0.199	C	C	.	.	H	α-helix	trans	-67.8	-20.9	177.1	-71.8	172.6	0	0	0	113.1	N305 V308 Q331 I363 L405 K411	N305-L409 HydrophobicContact CB-CB 3.71Å; V308-L409 HydrophobicContact CG1-CD1 3.71Å; Q331-L409 HydrophobicContact CB-CD1 4.18Å; I363-L409 HydrophobicContact CD1-CD2 3.76Å; I363-L409 HydrophobicContact CG1-CD2 4.26Å; L405-L409 HydrophobicContact CD1-CD1 3.79Å; L405-L409 HydrophobicContact CD1-CG 4.11Å; L405-L409 HydrophobicContact CG-CD1 3.92Å; L405-L409 VanDerWaalsContact O-CB 3.31Å; L405-L409 WeakPolarHBondContact O-CB 3.27Å; L405-L409 VanDerWaalsContact O-CG 3.29Å; L405-L409 WeakPolarHBondContact O-CG 3.31Å; L405-L409 PolarHBondContact O-N 3.09Å; L409-K411 PolarHBondContact O-N 3.34Å
410	A	96.3	Very high	95.9	Very high	8 Å²	8	40.1 Å²	40.1	7%	0.066	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-16.7	172.7	0	0	0	0	0	112.8	R301 E303 S406 Y407 V408 K412	R301-A410 PolarHBondContact NH2-O 3.37Å; E303-A410 HydrophobicContact CB-CB 4.34Å; E303-A410 WeakPolarHBondContact O-CB 3.44Å; S406-A410 WeakPolarHBondContact O-CB 3.33Å; S406-A410 PolarHBondContact O-N 2.89Å; S406-A410 VanDerWaalsContact O-N 3.15Å; Y407-A410 WeakPolarHBondContact O-CB 3.33Å; Y407-A410 PolarHBondContact O-N 2.78Å; V408-A410 PolarHBondContact O-N 3.37Å; A410-K412 PolarHBondContact O-N 3.3Å
411	K	94.3	Very high	95.7	Very high	19 Å²	19	47 Å²	47	8%	0.083	24%	0.237	C	C	.	.			trans	-80.6	80.6	175.6	-60	-171.3	176.1	-83.4	0	111.1	E201 Y407 V408 L409 E413 L414 Q419 M422	E201-K411 IonicContact OE1-NZ 3.4Å; E201-K411 PolarHBondContact OE1-NZ 3.45Å; Y407-K411 VanDerWaalsContact CE1-CE 3.44Å; Y407-K411 WeakPolarHBondContact OH-CE 3.29Å; Y407-K411 PolarHBondContact OH-NZ 3.47Å; Y407-K411 VanDerWaalsContact OH-NZ 3.15Å; V408-K411 WeakPolarHBondContact O-CB 3.5Å; V408-K411 PolarHBondContact O-N 2.94Å; L409-K411 PolarHBondContact O-N 3.34Å; K411-E413 VanDerWaalsContact C-OE2 3.26Å; K411-E413 VanDerWaalsContact CA-OE2 3.29Å; K411-E413 WeakPolarHBondContact CA-OE2 3.44Å; K411-E413 PolarHBondContact O-N 2.93Å; K411-L414 HydrophobicContact CB-CB 4.49Å; K411-L414 HydrophobicContact CB-CD1 3.76Å; K411-L414 HydrophobicContact CB-CG 3.93Å; K411-L414 HydrophobicContact CD-CD1 3.83Å; K411-L414 HydrophobicContact CG-CD1 4.41Å; K411-L414 PolarHBondContact O-N 3.03Å; K411-L414 VanDerWaalsContact O-N 3.12Å; K411-Q419 PolarHBondContact O-NE2 2.86Å; K411-Q419 VanDerWaalsContact O-NE2 3.14Å; K411-M422 HydrophobicContact CD-CE 4.2Å; K411-M422 HydrophobicContact CD-SD 4.01Å
412	K	90.3	Very high	95.5	Very high	189 Å²	189	48.5 Å²	48.5	82%	0.822	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-19.6	179.2	-64	-175.8	-179.1	177.5	0	113.5	A410 L414	A410-K412 PolarHBondContact O-N 3.3Å; K412-L414 PolarHBondContact O-N 2.98Å
413	E	92.7	Very high	95.3	Very high	121 Å²	121	47.1 Å²	47.1	57%	0.565	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.4	-13.6	173.9	64.5	-88.1	-155.2	0	0	113.5	R301 K411	R301-E413 IonicContact CZ-OE1 3.67Å; R301-E413 IonicContact NH1-OE1 3.05Å; R301-E413 PolarHBondContact NH1-OE1 2.82Å; R301-E413 IonicContact NH2-OE1 2.72Å; R301-E413 PolarHBondContact NH2-OE1 3.05Å; R301-E413 IonicContact NH2-OE2 2.68Å; R301-E413 PolarHBondContact NH2-OE2 2.87Å; R301-E413 VanDerWaalsContact NH2-OE2 3.09Å; K411-E413 VanDerWaalsContact C-OE2 3.26Å; K411-E413 VanDerWaalsContact CA-OE2 3.29Å; K411-E413 WeakPolarHBondContact CA-OE2 3.44Å; K411-E413 PolarHBondContact O-N 2.93Å
414	L	93.1	Very high	94.9	Very high	57 Å²	57	49.8 Å²	49.8	30%	0.298	26%	0.26	S	S	.	.	S	Bend	trans	-97.8	138.7	-179.4	-61.3	-178.5	0	0	0	111.7	K411 K412 A418 Q419 M422	K411-L414 HydrophobicContact CB-CB 4.49Å; K411-L414 HydrophobicContact CB-CD1 3.76Å; K411-L414 HydrophobicContact CB-CG 3.93Å; K411-L414 HydrophobicContact CD-CD1 3.83Å; K411-L414 HydrophobicContact CG-CD1 4.41Å; K411-L414 PolarHBondContact O-N 3.03Å; K411-L414 VanDerWaalsContact O-N 3.12Å; K412-L414 PolarHBondContact O-N 2.98Å; L414-A418 HydrophobicContact CB-CB 4.23Å; L414-A418 HydrophobicContact CD2-CB 4.39Å; L414-Q419 HydrophobicContact CB-CG 3.77Å; L414-Q419 HydrophobicContact CD1-CG 4.41Å; L414-M422 HydrophobicContact CD1-SD 3.79Å
415	T	96.3	Very high	94.6	Very high	96 Å²	96	54.4 Å²	54.4	59%	0.589	28%	0.281	S	S	*	.			trans	-64.3	156.5	166.2	61.6	0	0	0	0	111	D417 A418 Q419	T415-D417 VanDerWaalsContact C-N 3.26Å; T415-D417 PolarHBondContact O-N 3.44Å; T415-A418 WeakPolarHBondContact O-CB 3.39Å; T415-A418 PolarHBondContact O-N 3.11Å; T415-A418 VanDerWaalsContact OG1-CB 3.29Å; T415-A418 WeakPolarHBondContact OG1-CB 3.18Å; T415-A418 PolarHBondContact OG1-N 2.88Å; T415-Q419 PolarHBondContact O-N 2.77Å
416	L	93.7	Very high	94.2	Very high	64 Å²	64	56.5 Å²	56.5	34%	0.335	29%	0.293	S	S	.	.	H	α-helix	trans	-53.7	-40.9	177.4	-173.7	70.5	0	0	0	112.7	I363 Q419 K420	I363-L416 HydrophobicContact CD1-CD1 3.96Å; I363-L416 HydrophobicContact CG1-CD1 3.85Å; L416-Q419 WeakPolarHBondContact O-CB 3.3Å; L416-Q419 PolarHBondContact O-N 2.74Å; L416-K420 WeakPolarHBondContact O-CG 3.37Å; L416-K420 PolarHBondContact O-N 2.78Å
417	D	93.9	Very high	93.9	Very high	119 Å²	119	57.1 Å²	57.1	64%	0.636	30%	0.295	S	S	*	.	H	α-helix	trans	-68.4	-38.4	178.6	-68.3	-25.1	0	0	0	112.4	T415 Q419 K420 K421	T415-D417 VanDerWaalsContact C-N 3.26Å; T415-D417 PolarHBondContact O-N 3.44Å; D417-Q419 VanDerWaalsContact C-N 3.32Å; D417-K420 PolarHBondContact O-N 3.15Å; D417-K421 WeakPolarHBondContact O-CB 3.19Å; D417-K421 PolarHBondContact O-N 2.61Å
418	A	94.9	Very high	93.7	Very high	36 Å²	36	59 Å²	59	30%	0.298	30%	0.302	S	S	.	.	H	α-helix	trans	-64	-38.4	172.6	0	0	0	0	0	111.6	L414 T415 K421 M422	L414-A418 HydrophobicContact CB-CB 4.23Å; L414-A418 HydrophobicContact CD2-CB 4.39Å; T415-A418 WeakPolarHBondContact O-CB 3.39Å; T415-A418 PolarHBondContact O-N 3.11Å; T415-A418 VanDerWaalsContact OG1-CB 3.29Å; T415-A418 WeakPolarHBondContact OG1-CB 3.18Å; T415-A418 PolarHBondContact OG1-N 2.88Å; A418-K421 PolarHBondContact O-N 3.45Å; A418-M422 WeakPolarHBondContact O-CB 3.29Å; A418-M422 PolarHBondContact O-N 3.01Å
419	Q	96.1	Very high	93.4	Very high	18 Å²	18	59 Å²	59	8%	0.084	30%	0.302	C	S	.	.	H	α-helix	trans	-63.6	-47	173.4	-70.5	177.9	-17.5	0	0	111.4	I363 V408 K411 L414 T415 L416 D417 K421 M422 M423	I363-Q419 HydrophobicContact CD1-CB 3.87Å; V408-Q419 HydrophobicContact CG1-CB 3.61Å; V408-Q419 HydrophobicContact CG1-CG 3.85Å; V408-Q419 WeakPolarHBondContact CG1-O 3.33Å; K411-Q419 PolarHBondContact O-NE2 2.86Å; K411-Q419 VanDerWaalsContact O-NE2 3.14Å; L414-Q419 HydrophobicContact CB-CG 3.77Å; L414-Q419 HydrophobicContact CD1-CG 4.41Å; T415-Q419 PolarHBondContact O-N 2.77Å; L416-Q419 WeakPolarHBondContact O-CB 3.3Å; L416-Q419 PolarHBondContact O-N 2.74Å; D417-Q419 VanDerWaalsContact C-N 3.32Å; Q419-K421 VanDerWaalsContact C-N 3.33Å; Q419-K421 PolarHBondContact O-N 2.81Å; Q419-M422 PolarHBondContact O-N 2.7Å; Q419-M423 WeakPolarHBondContact O-CG 3.4Å; Q419-M423 PolarHBondContact O-N 2.67Å
420	K	94.1	Very high	93.3	Very high	53 Å²	53	58.3 Å²	58.3	23%	0.23	30%	0.299	C	S	.	.	H	α-helix	trans	-58.5	-44.1	175.2	-71.6	177.8	177.8	178.6	0	111.8	I363 L391 L416 D417 M422 M423 A424	I363-K420 HydrophobicContact CD1-CG 4.19Å; I363-K420 HydrophobicContact CG1-CG 4.33Å; L391-K420 HydrophobicContact CD1-CB 4.04Å; L391-K420 HydrophobicContact CD1-CG 4.14Å; L391-K420 HydrophobicContact CD2-CB 4.37Å; L416-K420 WeakPolarHBondContact O-CG 3.37Å; L416-K420 PolarHBondContact O-N 2.78Å; D417-K420 PolarHBondContact O-N 3.15Å; K420-M422 PolarHBondContact O-N 3.18Å; K420-M423 PolarHBondContact O-N 3.38Å; K420-A424 PolarHBondContact O-N 3.37Å
421	K	93.3	Very high	93.1	Very high	143 Å²	143	58.4 Å²	58.4	62%	0.622	30%	0.298	S	S	*	.	H	α-helix	trans	-63	-41.6	176.4	-169.8	175.6	-176.5	176	0	111.9	D417 A418 Q419 M423 A424 Q425	D417-K421 WeakPolarHBondContact O-CB 3.19Å; D417-K421 PolarHBondContact O-N 2.61Å; A418-K421 PolarHBondContact O-N 3.45Å; Q419-K421 VanDerWaalsContact C-N 3.33Å; Q419-K421 PolarHBondContact O-N 2.81Å; K421-M423 VanDerWaalsContact C-N 3.34Å; K421-A424 PolarHBondContact O-N 3.12Å; K421-Q425 WeakPolarHBondContact O-CG 3.34Å; K421-Q425 PolarHBondContact O-N 2.96Å
422	M	94.4	Very high	92.7	Very high	33 Å²	33	60.2 Å²	60.2	16%	0.163	31%	0.313	C	S	.	.	H	α-helix	trans	-65.8	-36.5	176.8	-168.4	173.4	-165.5	0	0	112	Y407 V408 K411 L414 A418 Q419 K420 A424 Q425 L427	Y407-M422 HydrophobicContact CE1-CE 3.99Å; V408-M422 HydrophobicContact CG1-CB 4.27Å; V408-M422 HydrophobicContact CG1-SD 4.45Å; V408-M422 HydrophobicContact CG2-CB 4.33Å; V408-M422 HydrophobicContact CG2-CG 3.9Å; V408-M422 HydrophobicContact CG2-SD 3.95Å; K411-M422 HydrophobicContact CD-CE 4.2Å; K411-M422 HydrophobicContact CD-SD 4.01Å; L414-M422 HydrophobicContact CD1-SD 3.79Å; A418-M422 WeakPolarHBondContact O-CB 3.29Å; A418-M422 PolarHBondContact O-N 3.01Å; Q419-M422 PolarHBondContact O-N 2.7Å; K420-M422 PolarHBondContact O-N 3.18Å; M422-A424 VanDerWaalsContact C-N 3.28Å; M422-A424 PolarHBondContact O-N 2.86Å; M422-Q425 PolarHBondContact O-N 3.27Å; M422-L427 HydrophobicContact CE-CD1 3.94Å; M422-L427 HydrophobicContact CE-CD2 4.09Å; M422-L427 HydrophobicContact CG-CD1 3.97Å; M422-L427 HydrophobicContact CG-CD2 3.92Å
423	M	94.4	Very high	91.4	Very high	3 Å²	3	54.5 Å²	54.5	2%	0.015	30%	0.301	C	S	.	.	H	α-helix	trans	-63.3	-32.3	174.3	-76.9	-53.7	-67.7	0	0	113.3	V365 L391 K404 L405 V408 Q419 K420 K421 Q425	V365-M423 HydrophobicContact CG2-CE 3.69Å; L391-M423 HydrophobicContact CD1-CB 3.8Å; K404-M423 HydrophobicContact CB-CE 4.08Å; K404-M423 HydrophobicContact CB-SD 4.29Å; K404-M423 HydrophobicContact CD-CE 3.95Å; K404-M423 HydrophobicContact CD-SD 4.06Å; K404-M423 WeakPolarHBondContact CE-O 3.36Å; K404-M423 HydrophobicContact CG-CE 3.95Å; K404-M423 HydrophobicContact CG-SD 3.71Å; K404-M423 PolarHBondContact NZ-O 2.87Å; L405-M423 HydrophobicContact CB-CE 3.79Å; L405-M423 HydrophobicContact CB-SD 4.39Å; L405-M423 HydrophobicContact CD1-CE 4.09Å; L405-M423 HydrophobicContact CD1-CG 4.46Å; L405-M423 HydrophobicContact CD1-SD 4.31Å; V408-M423 HydrophobicContact CB-CG 4.24Å; V408-M423 HydrophobicContact CB-SD 3.74Å; V408-M423 HydrophobicContact CG1-CG 4.08Å; V408-M423 HydrophobicContact CG1-SD 4.25Å; V408-M423 HydrophobicContact CG2-CG 4.29Å; V408-M423 HydrophobicContact CG2-SD 3.55Å; V408-M423 VanDerWaalsContact CG2-SD 3.55Å; Q419-M423 WeakPolarHBondContact O-CG 3.4Å; Q419-M423 PolarHBondContact O-N 2.67Å; K420-M423 PolarHBondContact O-N 3.38Å; K421-M423 VanDerWaalsContact C-N 3.34Å; M423-Q425 VanDerWaalsContact C-N 3.34Å
424	A	90.1	Very high	89.5	Confident	62 Å²	62	55.9 Å²	55.9	51%	0.512	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80	-11.4	178	0	0	0	0	0	114.2	K420 K421 M422	K420-A424 PolarHBondContact O-N 3.37Å; K421-A424 PolarHBondContact O-N 3.12Å; M422-A424 VanDerWaalsContact C-N 3.28Å; M422-A424 PolarHBondContact O-N 2.86Å
425	Q	90.3	Very high	87	Confident	96 Å²	96	59.7 Å²	59.7	45%	0.449	33%	0.332	S	S	.	.	S	Bend	trans	-95.2	143.7	-177.4	-73.5	176.1	-8.8	0	0	112.1	K404 K421 M422 M423 L427	K404-Q425 WeakPolarHBondContact CE-O 3.12Å; K404-Q425 PolarHBondContact NZ-O 3.27Å; K421-Q425 WeakPolarHBondContact O-CG 3.34Å; K421-Q425 PolarHBondContact O-N 2.96Å; M422-Q425 PolarHBondContact O-N 3.27Å; M423-Q425 VanDerWaalsContact C-N 3.34Å; Q425-L427 HydrophobicContact CB-CD2 4.1Å; Q425-L427 WeakPolarHBondContact O-CG 3.48Å; Q425-L427 PolarHBondContact O-N 3.21Å
426	N	90.3	Very high	84	Confident	45 Å²	45	64.6 Å²	64.6	24%	0.241	35%	0.348	C	S	.	.			trans	-70.1	109.4	169.5	-179.7	6.9	0	0	0	110.8	W290 G429 E430 M431	W290-N426 VanDerWaalsContact CZ3-ND2 3.33Å; W290-N426 WeakPolarHBondContact CZ3-ND2 3.44Å; N426-G429 WeakPolarHBondContact OD1-CA 3.5Å; N426-G429 PolarHBondContact OD1-N 2.92Å; N426-E430 PolarHBondContact OD1-N 3.45Å; N426-E430 PolarHBondContact OD1-OE2 3.42Å; N426-M431 HydrophobicContact CB-CG 3.72Å; N426-M431 PolarHBondContact ND2-O 2.75Å
427	L	91.6	Very high	81.2	Confident	19 Å²	19	64.7 Å²	64.7	10%	0.099	37%	0.365	C	S	.	.	S	Bend	trans	-96.2	-34.5	-173.4	-57.3	-179.5	0	0	0	113.2	F198 K404 Y407 V408 M422 Q425 E430	F198-L427 HydrophobicContact CD1-CD1 4.46Å; F198-L427 HydrophobicContact CE1-CB 4.15Å; F198-L427 HydrophobicContact CE1-CD1 4.27Å; K404-L427 HydrophobicContact CD-CD1 4.46Å; K404-L427 HydrophobicContact CG-CD1 4.14Å; Y407-L427 HydrophobicContact CE1-CD1 4.43Å; V408-L427 HydrophobicContact CG2-CD1 4.32Å; M422-L427 HydrophobicContact CE-CD1 3.94Å; M422-L427 HydrophobicContact CE-CD2 4.09Å; M422-L427 HydrophobicContact CG-CD1 3.97Å; M422-L427 HydrophobicContact CG-CD2 3.92Å; Q425-L427 HydrophobicContact CB-CD2 4.1Å; Q425-L427 WeakPolarHBondContact O-CG 3.48Å; Q425-L427 PolarHBondContact O-N 3.21Å; L427-E430 PolarHBondContact N-OE1 3.42Å; L427-E430 VanDerWaalsContact N-OE1 3.15Å; L427-E430 PolarHBondContact N-OE2 2.93Å; L427-E430 VanDerWaalsContact N-OE2 3.15Å
428	R	93.1	Very high	78.4	Confident	43 Å²	43	61.7 Å²	61.7	16%	0.162	36%	0.357	C	S	.	.	S	Bend	trans	-141.9	19.8	-168.6	-63.2	-64.4	-176.8	-81.6	-7.5	112.3	S197 F198 N254 Y407 E430	S197-R428 VanDerWaalsContact O-CD 3.3Å; S197-R428 WeakPolarHBondContact O-CD 3.37Å; S197-R428 WeakPolarHBondContact O-CG 3.16Å; S197-R428 PolarHBondContact O-NE 3.45Å; F198-R428 HydrophobicContact CD1-CB 4.43Å; F198-R428 HydrophobicContact CD1-CG 3.69Å; F198-R428 HydrophobicContact CE1-CB 4.14Å; F198-R428 HydrophobicContact CE1-CG 3.85Å; N254-R428 WeakPolarHBondContact ND2-CB 3.32Å; N254-R428 PolarHBondContact ND2-O 2.95Å; Y407-R428 PolarHBondContact OH-NH2 3.25Å; R428-E430 VanDerWaalsContact C-N 3.3Å; R428-E430 WeakPolarHBondContact CA-OE2 3.26Å; R428-E430 PolarHBondContact N-OE2 3.43Å
429	G	91.5	Very high	75.4	Confident	0 Å²	0	70 Å²	70	0%	0	39%	0.386	C	S	.	.	S	Bend	trans	78.8	11.9	-176.6	0	0	0	0	0	114.1	R252 R255 N426 M431	R252-G429 VanDerWaalsContact CD-O 3.3Å; R252-G429 WeakPolarHBondContact CD-O 3.44Å; R252-G429 PolarHBondContact NH1-O 2.92Å; R252-G429 VanDerWaalsContact NH1-O 3.12Å; R255-G429 PolarHBondContact NE-O 2.6Å; R255-G429 PolarHBondContact NH2-O 2.69Å; N426-G429 WeakPolarHBondContact OD1-CA 3.5Å; N426-G429 PolarHBondContact OD1-N 2.92Å; G429-M431 VanDerWaalsContact C-N 3.33Å
430	E	95	Very high	72.6	Confident	0 Å²	0	76.1 Å²	76.1	0%	0	42%	0.419	C	S	.	.	S	Bend	trans	-74.1	-22.4	-176.7	78.5	-73.7	176.9	0	0	113.5	F198 N254 R255 M396 A400 K404 N426 L427 R428	F198-E430 HydrophobicContact CE1-CG 4.48Å; F198-E430 HydrophobicContact CZ-CB 4.14Å; F198-E430 HydrophobicContact CZ-CG 3.9Å; N254-E430 HydrophobicContact CB-CB 4.12Å; N254-E430 WeakPolarHBondContact OD1-CA 3.44Å; R255-E430 VanDerWaalsContact CD-O 3.25Å; R255-E430 WeakPolarHBondContact CD-O 3.25Å; R255-E430 VanDerWaalsContact CZ-O 3.28Å; R255-E430 PolarHBondContact NE-O 3.34Å; M396-E430 HydrophobicContact CG-CG 3.93Å; M396-E430 HydrophobicContact SD-CG 3.65Å; A400-E430 HydrophobicContact CB-CB 4.27Å; K404-E430 HydrophobicContact CD-CG 4.32Å; K404-E430 WeakPolarHBondContact CE-OE1 3.49Å; K404-E430 IonicContact NZ-OE1 3.38Å; K404-E430 PolarHBondContact NZ-OE1 2.9Å; N426-E430 PolarHBondContact OD1-N 3.45Å; N426-E430 PolarHBondContact OD1-OE2 3.42Å; L427-E430 PolarHBondContact N-OE1 3.42Å; L427-E430 VanDerWaalsContact N-OE1 3.15Å; L427-E430 PolarHBondContact N-OE2 2.93Å; L427-E430 VanDerWaalsContact N-OE2 3.15Å; R428-E430 VanDerWaalsContact C-N 3.3Å; R428-E430 WeakPolarHBondContact CA-OE2 3.26Å; R428-E430 PolarHBondContact N-OE2 3.43Å
431	M	91.6	Very high	69.8	Low	11 Å²	11	77.9 Å²	77.9	5%	0.054	44%	0.436	C	S	.	.	S	Bend	trans	-134.8	149.9	-179.8	76.6	-165.7	-40.9	0	0	110.6	R255 D395 M396 K404 N426 G429	R255-M431 PolarHBondContact NH2-O 3.35Å; D395-M431 VanDerWaalsContact OD1-CA 3.28Å; D395-M431 WeakPolarHBondContact OD1-CA 3.45Å; M396-M431 HydrophobicContact CE-CE 3.85Å; M396-M431 HydrophobicContact CG-CB 3.6Å; M396-M431 HydrophobicContact CG-CE 4.25Å; M396-M431 HydrophobicContact SD-CB 4.39Å; M396-M431 HydrophobicContact SD-CE 4.24Å; M396-M431 HydrophobicContact SD-SD 4.43Å; K404-M431 PolarHBondContact NZ-SD 3.41Å; N426-M431 HydrophobicContact CB-CG 3.72Å; N426-M431 PolarHBondContact ND2-O 2.75Å; G429-M431 VanDerWaalsContact C-N 3.33Å
432	S	85.6	Confident	67.6	Low	56 Å²	56	73.2 Å²	73.2	39%	0.392	42%	0.418	S	S	.	.			trans	-80.4	131.4	174.3	-57.9	0	0	0	0	108	R255 D395	R255-S432 VanDerWaalsContact NH2-N 3.12Å; R255-S432 PolarHBondContact NH2-OG 2.98Å; R255-S432 VanDerWaalsContact NH2-OG 3.11Å; D395-S432 PolarHBondContact OD1-N 2.96Å; D395-S432 WeakPolarHBondContact OD2-CB 3.38Å; D395-S432 PolarHBondContact OD2-OG 3.19Å
433	A	64.6	Low	65.3	Low	70 Å²	70	75.1 Å²	75.1	58%	0.579	44%	0.435	S	S	*	.			trans	-67.8	142.1	173.1	0	0	0	0	0	108.9	L435	A433-L435 PolarHBondContact O-N 3.32Å
434	D	51.9	Low	63.1	Low	149 Å²	149	81.1 Å²	81.1	80%	0.797	47%	0.467	S	S	*	.			trans	-54.3	114.3	172.1	-78.6	-34	0	0	0	108.7	E436	D434-E436 PolarHBondContact O-N 2.92Å
435	L	41.1	Very low	61.4	Low	138 Å²	138	79 Å²	79	72%	0.723	45%	0.448	S	S	*	.	G	3₁₀ helix	trans	-68.4	9.5	-174.9	-75.1	154	0	0	0	112.8	A433 G437 A438	A433-L435 PolarHBondContact O-N 3.32Å; L435-G437 PolarHBondContact O-N 3.19Å; L435-A438 HydrophobicContact CB-CB 4.35Å; L435-A438 HydrophobicContact CD2-CB 3.43Å; L435-A438 VanDerWaalsContact CD2-CB 3.43Å; L435-A438 HydrophobicContact CG-CB 4.44Å; L435-A438 PolarHBondContact O-N 2.71Å; L435-A438 VanDerWaalsContact O-N 3.13Å
436	E	33.1	Very low	59.7	Low	198 Å²	198	84.4 Å²	84.4	93%	0.925	47%	0.465	S	S	*	.	G	3₁₀ helix	trans	-62.6	-7.5	-179.2	-70.4	-158	157.7	0	0	114	D434	D434-E436 PolarHBondContact O-N 2.92Å
437	G	35.4	Very low	58.2	Low	67 Å²	67	87.2 Å²	87.2	69%	0.691	48%	0.475	S	S	*	.	G	3₁₀ helix	trans	-132.5	5.3	171.8	0	0	0	0	0	115.2	L435 K439	L435-G437 PolarHBondContact O-N 3.19Å; G437-K439 PolarHBondContact O-N 3.12Å
438	A	33.5	Very low	56.7	Low	55 Å²	55	87.3 Å²	87.3	46%	0.455	48%	0.475	S	S	.	.			trans	-74.8	81.5	179.8	0	0	0	0	0	109.7	L435 L440	L435-A438 HydrophobicContact CB-CB 4.35Å; L435-A438 HydrophobicContact CD2-CB 3.43Å; L435-A438 VanDerWaalsContact CD2-CB 3.43Å; L435-A438 HydrophobicContact CG-CB 4.44Å; L435-A438 PolarHBondContact O-N 2.71Å; L435-A438 VanDerWaalsContact O-N 3.13Å; A438-L440 PolarHBondContact O-N 3.41Å
439	K	32.8	Very low	55.1	Low	211 Å²	211	89.4 Å²	89.4	92%	0.917	49%	0.487	S	S	*	.			trans	-54.9	102.8	163.2	-86.6	-178.1	174.6	178.1	0	108.3	G437	G437-K439 PolarHBondContact O-N 3.12Å
440	L	36.4	Very low	53.8	Low	147 Å²	147	93.4 Å²	93.4	77%	0.77	51%	0.511	S	S	*	.			trans	-123.2	103.6	158.7	-91.6	161.6	0	0	0	107.3	A438	A438-L440 PolarHBondContact O-N 3.41Å
441	C	35.2	Very low	52.3	Low	89 Å²	89	95.2 Å²	95.2	60%	0.601	52%	0.52	S	S	*	.				-166.5	126.8	123.8	-118.8	0	0	0	0	112	S443	C441-S443 VanDerWaalsContact C-N 3.26Å; C441-S443 PolarHBondContact O-N 3.42Å
442	L	47.3	Very low	50.9	Low	46 Å²	46	95.1 Å²	95.1	24%	0.241	52%	0.522	C	S	.	.			trans	-86.1	12.2	179.3	-75.5	163	0	0	0	113.5	D444 S445 R467 M493	L442-D444 PolarHBondContact O-N 3.34Å; L442-S445 PolarHBondContact O-N 3.2Å; L442-R467 VanDerWaalsContact CD1-NH1 3.3Å; L442-M493 WeakPolarHBondContact CD2-O 3.28Å
443	S	46.7	Very low	50	Low	72 Å²	72	101 Å²	101	50%	0.503	54%	0.54	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-13.3	177.7	38.4	0	0	0	0	113.2	C441 Q449	C441-S443 VanDerWaalsContact C-N 3.26Å; C441-S443 PolarHBondContact O-N 3.42Å; S443-Q449 PolarHBondContact O-NE2 3.45Å
444	D	47.5	Very low	50.2	Low	129 Å²	129	102.1 Å²	102.1	69%	0.69	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.8	4.8	-171.3	-61.8	-27.7	0	0	0	115.5	L442 R446	L442-D444 PolarHBondContact O-N 3.34Å; D444-R446 PolarHBondContact O-N 3.04Å
445	S	55.2	Low	51.1	Low	18 Å²	18	99.9 Å²	99.9	13%	0.126	53%	0.531	C	S	.	.			trans	-70.2	108.4	174.5	177.1	0	0	0	0	110.3	L442 F447 I448 Q449 M493	L442-S445 PolarHBondContact O-N 3.2Å; S445-F447 PolarHBondContact O-N 3.47Å; S445-F447 VanDerWaalsContact O-N 3.07Å; S445-I448 PolarHBondContact O-N 3.32Å; S445-I448 VanDerWaalsContact O-N 3.08Å; S445-Q449 WeakPolarHBondContact O-CG 3.45Å; S445-Q449 PolarHBondContact O-N 3.36Å; S445-M493 PolarHBondContact OG-SD 2.81Å; S445-M493 VanDerWaalsContact OG-SD 3.33Å
446	R	54.9	Low	52.6	Low	210 Å²	210	98.3 Å²	98.3	79%	0.792	53%	0.532	S	S	*	.	H	α-helix	trans	-53.6	-29.5	178.7	-159.6	175.2	-174.8	173.6	1.6	112.6	D444 V450	D444-R446 PolarHBondContact O-N 3.04Å; R446-V450 WeakPolarHBondContact O-CB 3.43Å; R446-V450 WeakPolarHBondContact O-CG2 3.37Å; R446-V450 PolarHBondContact O-N 3.03Å; R446-V450 VanDerWaalsContact O-N 3.1Å
447	F	59.1	Low	54.2	Low	104 Å²	104	90.3 Å²	90.3	46%	0.456	50%	0.496	S	S	.	.	H	α-helix	trans	-71.3	-49.5	176.4	179.7	-105.1	0	0	0	112.3	S445 Q449 V450 I451 L474	S445-F447 PolarHBondContact O-N 3.47Å; S445-F447 VanDerWaalsContact O-N 3.07Å; F447-Q449 VanDerWaalsContact C-N 3.34Å; F447-V450 PolarHBondContact O-N 3.44Å; F447-I451 HydrophobicContact CD1-CD1 4.06Å; F447-I451 HydrophobicContact CE1-CD1 3.49Å; F447-I451 VanDerWaalsContact CE1-CD1 3.49Å; F447-I451 HydrophobicContact CE2-CD1 4.2Å; F447-I451 HydrophobicContact CZ-CD1 3.58Å; F447-I451 PolarHBondContact O-N 2.92Å; F447-L474 HydrophobicContact CE1-CD1 4.07Å; F447-L474 HydrophobicContact CZ-CD1 4.32Å
448	I	59.8	Low	55.6	Low	20 Å²	20	92.4 Å²	92.4	10%	0.103	50%	0.501	C	S	.	.	H	α-helix	trans	-68.4	-36.3	178.6	-59.1	-177.9	0	0	0	110.5	S445 V450 I451 A452 L463 R467	S445-I448 PolarHBondContact O-N 3.32Å; S445-I448 VanDerWaalsContact O-N 3.08Å; I448-V450 VanDerWaalsContact C-N 3.33Å; I448-V450 PolarHBondContact O-N 3.15Å; I448-I451 PolarHBondContact O-N 2.99Å; I448-A452 WeakPolarHBondContact O-CB 3.29Å; I448-A452 PolarHBondContact O-N 2.73Å; I448-L463 HydrophobicContact CG2-CD1 4.04Å; I448-L463 HydrophobicContact CG2-CD2 3.4Å; I448-L463 VanDerWaalsContact CG2-CD2 3.4Å; I448-L463 HydrophobicContact CG2-CG 3.61Å; I448-R467 HydrophobicContact CD1-CB 4.48Å; I448-R467 HydrophobicContact CD1-CG 4.1Å
449	Q	58.7	Low	57.3	Low	87 Å²	87	92.1 Å²	92.1	41%	0.407	50%	0.495	S	S	.	.	H	α-helix	trans	-61.1	-38.6	172.2	-71.7	179.6	-3.6	0	0	112.6	S443 S445 F447 K453	S443-Q449 PolarHBondContact O-NE2 3.45Å; S445-Q449 WeakPolarHBondContact O-CG 3.45Å; S445-Q449 PolarHBondContact O-N 3.36Å; F447-Q449 VanDerWaalsContact C-N 3.34Å; Q449-K453 WeakPolarHBondContact O-CB 3.39Å; Q449-K453 PolarHBondContact O-N 3.07Å
450	V	64.3	Low	58.9	Low	85 Å²	85	88.1 Å²	88.1	52%	0.515	48%	0.477	S	S	.	.	H	α-helix	trans	-68.6	-41.1	177	166.9	0	0	0	0	111.2	R446 F447 I448 S454	R446-V450 WeakPolarHBondContact O-CB 3.43Å; R446-V450 WeakPolarHBondContact O-CG2 3.37Å; R446-V450 PolarHBondContact O-N 3.03Å; R446-V450 VanDerWaalsContact O-N 3.1Å; F447-V450 PolarHBondContact O-N 3.44Å; I448-V450 VanDerWaalsContact C-N 3.33Å; I448-V450 PolarHBondContact O-N 3.15Å; V450-S454 VanDerWaalsContact O-CB 3.3Å; V450-S454 WeakPolarHBondContact O-CB 3.42Å; V450-S454 PolarHBondContact O-N 3.27Å; V450-S454 PolarHBondContact O-OG 3.44Å
451	I	64.6	Low	60.4	Low	37 Å²	37	87.1 Å²	87.1	19%	0.19	47%	0.468	C	S	.	.	H	α-helix	trans	-65.7	-48.4	175	-68.1	174.7	0	0	0	110.4	F447 I448 K453 S454 L455 I466 L470	F447-I451 HydrophobicContact CD1-CD1 4.06Å; F447-I451 HydrophobicContact CE1-CD1 3.49Å; F447-I451 VanDerWaalsContact CE1-CD1 3.49Å; F447-I451 HydrophobicContact CE2-CD1 4.2Å; F447-I451 HydrophobicContact CZ-CD1 3.58Å; F447-I451 PolarHBondContact O-N 2.92Å; I448-I451 PolarHBondContact O-N 2.99Å; I451-K453 VanDerWaalsContact C-N 3.33Å; I451-K453 PolarHBondContact O-N 3.25Å; I451-S454 PolarHBondContact O-N 2.94Å; I451-S454 VanDerWaalsContact O-N 3.13Å; I451-L455 HydrophobicContact CG2-CD1 3.6Å; I451-L455 HydrophobicContact CG2-CG 4.33Å; I451-L455 WeakPolarHBondContact O-CB 3.2Å; I451-L455 WeakPolarHBondContact O-CG 3.25Å; I451-L455 PolarHBondContact O-N 2.99Å; I451-I466 HydrophobicContact CG2-CG2 3.82Å; I451-L470 HydrophobicContact CD1-CD1 4.07Å; I451-L470 HydrophobicContact CG2-CD1 4.35Å
452	A	61.4	Low	61.9	Low	10 Å²	10	87.2 Å²	87.2	8%	0.083	46%	0.46	C	S	.	.	H	α-helix	trans	-58.1	-44.6	177.6	0	0	0	0	0	111.7	I448 S454 L455 S456 V457 L463	I448-A452 WeakPolarHBondContact O-CB 3.29Å; I448-A452 PolarHBondContact O-N 2.73Å; A452-S454 PolarHBondContact O-N 3.32Å; A452-L455 CarbonylContact O-C 3.34Å; A452-L455 PolarHBondContact O-N 3.27Å; A452-S456 PolarHBondContact O-N 2.97Å; A452-V457 HydrophobicContact CB-CB 3.97Å; A452-V457 HydrophobicContact CB-CG1 4.43Å; A452-V457 HydrophobicContact CB-CG2 4.41Å; A452-V457 PolarHBondContact O-N 2.99Å; A452-L463 HydrophobicContact CB-CD1 3.62Å; A452-L463 HydrophobicContact CB-CG 4.32Å
453	K	67	Low	62.8	Low	178 Å²	178	87 Å²	87	77%	0.774	46%	0.459	S	S	*	.	H	α-helix	trans	-66.2	-36.1	175.9	-171.4	174.5	-177.1	177.3	0	112.7	Q449 I451 L455	Q449-K453 WeakPolarHBondContact O-CB 3.39Å; Q449-K453 PolarHBondContact O-N 3.07Å; I451-K453 VanDerWaalsContact C-N 3.33Å; I451-K453 PolarHBondContact O-N 3.25Å; K453-L455 VanDerWaalsContact C-N 3.34Å
454	S	68.8	Low	63.8	Low	94 Å²	94	87 Å²	87	66%	0.657	45%	0.451	S	S	*	.	H	α-helix	trans	-73.2	-28.1	177.1	-56.9	0	0	0	0	112.5	V450 I451 A452	V450-S454 VanDerWaalsContact O-CB 3.3Å; V450-S454 WeakPolarHBondContact O-CB 3.42Å; V450-S454 PolarHBondContact O-N 3.27Å; V450-S454 PolarHBondContact O-OG 3.44Å; I451-S454 PolarHBondContact O-N 2.94Å; I451-S454 VanDerWaalsContact O-N 3.13Å; A452-S454 PolarHBondContact O-N 3.32Å
455	L	69.5	Low	64.8	Low	103 Å²	103	83.7 Å²	83.7	54%	0.539	44%	0.442	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.1	5.3	178.6	-66.3	175.2	0	0	0	113.2	I451 A452 K453 V457 I466	I451-L455 HydrophobicContact CG2-CD1 3.6Å; I451-L455 HydrophobicContact CG2-CG 4.33Å; I451-L455 WeakPolarHBondContact O-CB 3.2Å; I451-L455 WeakPolarHBondContact O-CG 3.25Å; I451-L455 PolarHBondContact O-N 2.99Å; A452-L455 CarbonylContact O-C 3.34Å; A452-L455 PolarHBondContact O-N 3.27Å; K453-L455 VanDerWaalsContact C-N 3.34Å; L455-V457 HydrophobicContact CB-CG2 3.78Å; L455-V457 PolarHBondContact O-N 2.9Å; L455-I466 HydrophobicContact CD1-CD1 3.72Å; L455-I466 HydrophobicContact CD1-CG1 4.31Å; L455-I466 HydrophobicContact CD1-CG2 4.2Å
456	S	73.4	Confident	65.6	Low	105 Å²	105	84.9 Å²	84.9	73%	0.734	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.5	34.4	-176.5	-53.7	0	0	0	0	114.3	A452 S458	A452-S456 PolarHBondContact O-N 2.97Å; S456-S458 PolarHBondContact O-N 3.05Å
457	V	67.1	Low	66.3	Low	30 Å²	30	76.8 Å²	76.8	18%	0.182	42%	0.416	C	S	.	.			trans	-70.2	128.1	-178.1	174	0	0	0	0	109.8	A452 L455 E462 L463 I466	A452-V457 HydrophobicContact CB-CB 3.97Å; A452-V457 HydrophobicContact CB-CG1 4.43Å; A452-V457 HydrophobicContact CB-CG2 4.41Å; A452-V457 PolarHBondContact O-N 2.99Å; L455-V457 HydrophobicContact CB-CG2 3.78Å; L455-V457 PolarHBondContact O-N 2.9Å; V457-E462 HydrophobicContact CG1-CB 3.5Å; V457-L463 HydrophobicContact CG1-CB 3.98Å; V457-I466 HydrophobicContact CG2-CD1 3.27Å
458	S	65.2	Low	66.8	Low	111 Å²	111	75.2 Å²	75.2	78%	0.776	41%	0.412	S	S	*	.			trans	-114.3	-13.2	-169.5	64.7	0	0	0	0	114.5	S456 E462	S456-S458 PolarHBondContact O-N 3.05Å; S458-E462 PolarHBondContact N-OE2 3.38Å
459	C	68.4	Low	67.5	Low	49 Å²	49	76.9 Å²	76.9	33%	0.331	43%	0.429	S	S	.	.	S	Bend	trans	-131.7	163.1	178.6	69.3	0	0	0	0	113.1	E461 E462 L463	C459-E461 VanDerWaalsContact C-N 3.33Å; C459-E461 WeakPolarHBondContact CB-OE2 3.39Å; C459-E461 PolarHBondContact O-N 3.45Å; C459-E462 WeakPolarHBondContact SG-CG 3.24Å; C459-L463 PolarHBondContact O-N 2.91Å
460	K	66.8	Low	68.4	Low	126 Å²	126	76.2 Å²	76.2	55%	0.548	43%	0.427	S	S	.	.	H	α-helix	trans	-66.3	-37.2	-175.7	-176.6	-178	172.3	-169.2	0	111.5	L463 E464	K460-L463 PolarHBondContact O-N 2.92Å; K460-E464 WeakPolarHBondContact CE-OE1 3.42Å; K460-E464 IonicContact NZ-OE1 2.67Å; K460-E464 WeakPolarHBondContact O-CG 3.4Å; K460-E464 PolarHBondContact O-N 3.43Å
461	E	66.6	Low	69.2	Low	126 Å²	126	72.4 Å²	72.4	59%	0.589	41%	0.405	S	S	*	.	H	α-helix	trans	-65.3	-40.9	-177.8	-62.8	73.7	-162.5	0	0	111.8	C459 L463 E464 A465	C459-E461 VanDerWaalsContact C-N 3.33Å; C459-E461 WeakPolarHBondContact CB-OE2 3.39Å; C459-E461 PolarHBondContact O-N 3.45Å; E461-L463 VanDerWaalsContact C-N 3.34Å; E461-E464 PolarHBondContact O-N 3.27Å; E461-A465 WeakPolarHBondContact O-CB 3.29Å; E461-A465 PolarHBondContact O-N 3.43Å
462	E	68.1	Low	70.1	Confident	91 Å²	91	71.1 Å²	71.1	43%	0.425	40%	0.399	S	S	.	.	H	α-helix	trans	-65	-38.8	174.8	-79.6	174.3	173.4	0	0	111.8	V457 S458 C459 A465 I466	V457-E462 HydrophobicContact CG1-CB 3.5Å; S458-E462 PolarHBondContact N-OE2 3.38Å; C459-E462 WeakPolarHBondContact SG-CG 3.24Å; E462-A465 PolarHBondContact O-N 2.95Å; E462-I466 WeakPolarHBondContact O-CD1 3.36Å; E462-I466 WeakPolarHBondContact O-CG1 3.29Å; E462-I466 PolarHBondContact O-N 3.49Å
463	L	66.3	Low	71.3	Confident	43 Å²	43	73.1 Å²	73.1	23%	0.225	41%	0.412	C	S	.	.	H	α-helix	trans	-69.1	-40.2	179.5	-169.7	147.9	0	0	0	111.6	I448 A452 V457 C459 K460 E461 R467	I448-L463 HydrophobicContact CG2-CD1 4.04Å; I448-L463 HydrophobicContact CG2-CD2 3.4Å; I448-L463 VanDerWaalsContact CG2-CD2 3.4Å; I448-L463 HydrophobicContact CG2-CG 3.61Å; A452-L463 HydrophobicContact CB-CD1 3.62Å; A452-L463 HydrophobicContact CB-CG 4.32Å; V457-L463 HydrophobicContact CG1-CB 3.98Å; C459-L463 PolarHBondContact O-N 2.91Å; K460-L463 PolarHBondContact O-N 2.92Å; E461-L463 VanDerWaalsContact C-N 3.34Å; L463-R467 WeakPolarHBondContact O-CB 3.36Å; L463-R467 PolarHBondContact O-N 2.95Å
464	E	66.2	Low	72.2	Confident	70 Å²	70	67.8 Å²	67.8	33%	0.327	39%	0.391	S	S	.	.	H	α-helix	trans	-63.1	-45.2	171.1	-73.2	176.8	171.2	0	0	111.2	K460 E461 I466 R467 D468	K460-E464 WeakPolarHBondContact CE-OE1 3.42Å; K460-E464 IonicContact NZ-OE1 2.67Å; K460-E464 WeakPolarHBondContact O-CG 3.4Å; K460-E464 PolarHBondContact O-N 3.43Å; E461-E464 PolarHBondContact O-N 3.27Å; E464-I466 PolarHBondContact O-N 2.94Å; E464-R467 WeakPolarHBondContact O-CB 3.28Å; E464-R467 PolarHBondContact O-N 3.36Å; E464-D468 WeakPolarHBondContact O-CB 3.45Å; E464-D468 PolarHBondContact O-N 2.97Å
465	A	68.6	Low	73.1	Confident	60 Å²	60	63.3 Å²	63.3	50%	0.496	36%	0.36	S	S	.	.	H	α-helix	trans	-61.3	-41.1	177.8	0	0	0	0	0	113.2	E461 E462 D468 A469	E461-A465 WeakPolarHBondContact O-CB 3.29Å; E461-A465 PolarHBondContact O-N 3.43Å; E462-A465 PolarHBondContact O-N 2.95Å; A465-D468 PolarHBondContact O-N 3.21Å; A465-A469 WeakPolarHBondContact O-CB 3.49Å; A465-A469 PolarHBondContact O-N 3.28Å
466	I	71.8	Confident	74.1	Confident	43 Å²	43	58.9 Å²	58.9	22%	0.221	34%	0.338	C	S	.	.	H	α-helix	trans	-66.5	-43.8	176.3	-71.4	159.8	0	0	0	110.8	I451 L455 V457 E462 E464 D468 A469 L470	I451-I466 HydrophobicContact CG2-CG2 3.82Å; L455-I466 HydrophobicContact CD1-CD1 3.72Å; L455-I466 HydrophobicContact CD1-CG1 4.31Å; L455-I466 HydrophobicContact CD1-CG2 4.2Å; V457-I466 HydrophobicContact CG2-CD1 3.27Å; E462-I466 WeakPolarHBondContact O-CD1 3.36Å; E462-I466 WeakPolarHBondContact O-CG1 3.29Å; E462-I466 PolarHBondContact O-N 3.49Å; E464-I466 PolarHBondContact O-N 2.94Å; I466-D468 VanDerWaalsContact C-N 3.33Å; I466-D468 PolarHBondContact O-N 3.41Å; I466-A469 PolarHBondContact O-N 3.37Å; I466-L470 HydrophobicContact CG2-CD1 3.65Å; I466-L470 HydrophobicContact CG2-CG 4.29Å; I466-L470 WeakPolarHBondContact O-CB 3.41Å; I466-L470 WeakPolarHBondContact O-CG 3.27Å; I466-L470 PolarHBondContact O-N 2.81Å
467	R	70	Confident	74.7	Confident	41 Å²	41	56.5 Å²	56.5	16%	0.155	33%	0.325	C	S	.	.	H	α-helix	trans	-58.3	-48.6	175.6	179.4	-163	67	-167.2	-6	110.3	L442 I448 L463 E464 A469 L470 T471	L442-R467 VanDerWaalsContact CD1-NH1 3.3Å; I448-R467 HydrophobicContact CD1-CB 4.48Å; I448-R467 HydrophobicContact CD1-CG 4.1Å; L463-R467 WeakPolarHBondContact O-CB 3.36Å; L463-R467 PolarHBondContact O-N 2.95Å; E464-R467 WeakPolarHBondContact O-CB 3.28Å; E464-R467 PolarHBondContact O-N 3.36Å; R467-A469 VanDerWaalsContact C-N 3.26Å; R467-A469 PolarHBondContact O-N 3.28Å; R467-L470 PolarHBondContact O-N 2.92Å; R467-T471 WeakPolarHBondContact O-CB 3.44Å; R467-T471 PolarHBondContact O-N 3.02Å; R467-T471 PolarHBondContact O-OG1 3.2Å
468	D	69.8	Low	75.8	Confident	71 Å²	71	55.5 Å²	55.5	38%	0.38	32%	0.319	S	S	.	.	H	α-helix	trans	-67.4	-30.5	-176.4	-63.8	-6.6	0	0	0	111.5	E464 A465 I466 P472	E464-D468 WeakPolarHBondContact O-CB 3.45Å; E464-D468 PolarHBondContact O-N 2.97Å; A465-D468 PolarHBondContact O-N 3.21Å; I466-D468 VanDerWaalsContact C-N 3.33Å; I466-D468 PolarHBondContact O-N 3.41Å; D468-P472 WeakPolarHBondContact O-CD 3.38Å
469	A	75.4	Confident	77.1	Confident	54 Å²	54	50.2 Å²	50.2	45%	0.446	28%	0.282	S	S	.	.	H	α-helix	trans	-73.1	-39.7	173.3	0	0	0	0	0	113.5	A465 I466 R467	A465-A469 WeakPolarHBondContact O-CB 3.49Å; A465-A469 PolarHBondContact O-N 3.28Å; I466-A469 PolarHBondContact O-N 3.37Å; R467-A469 VanDerWaalsContact C-N 3.26Å; R467-A469 PolarHBondContact O-N 3.28Å
470	L	77.3	Confident	78.2	Confident	73 Å²	73	53.8 Å²	53.8	38%	0.382	29%	0.292	S	S	.	.	H	α-helix	trans	-86.9	-32.2	-175.1	-67	177.1	0	0	0	113.5	I451 I466 R467 S473 L474	I451-L470 HydrophobicContact CD1-CD1 4.07Å; I451-L470 HydrophobicContact CG2-CD1 4.35Å; I466-L470 HydrophobicContact CG2-CD1 3.65Å; I466-L470 HydrophobicContact CG2-CG 4.29Å; I466-L470 WeakPolarHBondContact O-CB 3.41Å; I466-L470 WeakPolarHBondContact O-CG 3.27Å; I466-L470 PolarHBondContact O-N 2.81Å; R467-L470 PolarHBondContact O-N 2.92Å; L470-S473 PolarHBondContact O-N 2.78Å; L470-S473 VanDerWaalsContact O-N 3.17Å; L470-L474 HydrophobicContact CB-CD1 4.29Å; L470-L474 WeakPolarHBondContact O-CG 3.44Å; L470-L474 PolarHBondContact O-N 3.46Å
471	T	80.8	Confident	79.4	Confident	6 Å²	6	53.5 Å²	53.5	4%	0.037	30%	0.295	C	S	.	.	H	α-helix	trans	-55.7	-48.4	-173	-70.1	0	0	0	0	113.3	R467 S473 L474 T475 S495	R467-T471 WeakPolarHBondContact O-CB 3.44Å; R467-T471 PolarHBondContact O-N 3.02Å; R467-T471 PolarHBondContact O-OG1 3.2Å; T471-S473 VanDerWaalsContact C-N 3.29Å; T471-S473 PolarHBondContact O-N 3.17Å; T471-L474 PolarHBondContact O-N 2.84Å; T471-T475 HydrophobicContact CG2-CG2 4.04Å; T471-T475 WeakPolarHBondContact O-CB 3.47Å; T471-T475 VanDerWaalsContact O-CG2 3.24Å; T471-T475 WeakPolarHBondContact O-CG2 3.47Å; T471-T475 PolarHBondContact O-N 3.46Å; T471-T475 PolarHBondContact O-OG1 3.43Å; T471-S495 VanDerWaalsContact CG2-CB 3.4Å; T471-S495 WeakPolarHBondContact CG2-OG 3.4Å; T471-S495 PolarHBondContact OG1-OG 2.95Å
472	P	84.7	Confident	80.4	Confident	10 Å²	10	48.5 Å²	48.5	7%	0.065	28%	0.278	C	S	.	.	H	α-helix	trans	-61.7	-38.5	-179.9	-22.5	33.5	0	0	0	112.5	D468 T475 C476 L499 G500	D468-P472 WeakPolarHBondContact O-CD 3.38Å; P472-T475 WeakPolarHBondContact CA-OG1 3.4Å; P472-T475 PolarHBondContact O-OG1 2.83Å; P472-T475 VanDerWaalsContact O-OG1 3.06Å; P472-C476 VanDerWaalsContact O-CB 3.26Å; P472-C476 WeakPolarHBondContact O-CB 3.26Å; P472-C476 PolarHBondContact O-N 3.42Å; P472-C476 PolarHBondContact O-SG 3.24Å; P472-L499 HydrophobicContact CB-CB 4.44Å; P472-L499 HydrophobicContact CG-CB 3.89Å; P472-L499 HydrophobicContact CG-CD1 4.47Å; P472-G500 WeakPolarHBondContact CB-O 3.26Å
473	S	86.2	Confident	81.4	Confident	51 Å²	51	47 Å²	47	36%	0.357	27%	0.272	S	S	.	.	H	α-helix	trans	-68.4	-43.4	178.8	-60.8	0	0	0	0	112.1	L470 T471 A477	L470-S473 PolarHBondContact O-N 2.78Å; L470-S473 VanDerWaalsContact O-N 3.17Å; T471-S473 VanDerWaalsContact C-N 3.29Å; T471-S473 PolarHBondContact O-N 3.17Å; S473-A477 WeakPolarHBondContact O-CB 3.41Å; S473-A477 PolarHBondContact O-N 3.09Å
474	L	84.9	Confident	82.5	Confident	66 Å²	66	47.5 Å²	47.5	35%	0.346	28%	0.277	S	S	.	.	H	α-helix	trans	-66.4	-43.5	178.4	-70.5	172.8	0	0	0	112	F447 L470 T471 A477 A478 L490	F447-L474 HydrophobicContact CE1-CD1 4.07Å; F447-L474 HydrophobicContact CZ-CD1 4.32Å; L470-L474 HydrophobicContact CB-CD1 4.29Å; L470-L474 WeakPolarHBondContact O-CG 3.44Å; L470-L474 PolarHBondContact O-N 3.46Å; T471-L474 PolarHBondContact O-N 2.84Å; L474-A477 PolarHBondContact O-N 3.38Å; L474-A478 WeakPolarHBondContact O-CB 3.27Å; L474-A478 PolarHBondContact O-N 3Å; L474-L490 HydrophobicContact CB-CD1 4.44Å
475	T	89.1	Confident	83.4	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-67.9	-39.3	178.9	55.2	0	0	0	0	111.5	T471 P472 A479 L487 L490 L497 P507	T471-T475 HydrophobicContact CG2-CG2 4.04Å; T471-T475 WeakPolarHBondContact O-CB 3.47Å; T471-T475 VanDerWaalsContact O-CG2 3.24Å; T471-T475 WeakPolarHBondContact O-CG2 3.47Å; T471-T475 PolarHBondContact O-N 3.46Å; T471-T475 PolarHBondContact O-OG1 3.43Å; P472-T475 WeakPolarHBondContact CA-OG1 3.4Å; P472-T475 PolarHBondContact O-OG1 2.83Å; P472-T475 VanDerWaalsContact O-OG1 3.06Å; T475-A479 VanDerWaalsContact O-CB 3.24Å; T475-A479 WeakPolarHBondContact O-CB 3.47Å; T475-A479 PolarHBondContact O-N 3.14Å; T475-L487 HydrophobicContact CG2-CD2 4.04Å; T475-L487 WeakPolarHBondContact O-CD2 3.37Å; T475-L490 HydrophobicContact CG2-CB 4.42Å; T475-L490 HydrophobicContact CG2-CD1 3.91Å; T475-L497 HydrophobicContact CG2-CD2 3.4Å; T475-P507 WeakPolarHBondContact OG1-CG 3.27Å
476	C	89.3	Confident	84.1	Confident	10 Å²	10	50 Å²	50	7%	0.068	28%	0.284	C	S	.	.	H	α-helix	trans	-64.1	-38.2	171.1	-76.9	0	0	0	0	112.5	P472 A479 K480 R505 V510	P472-C476 VanDerWaalsContact O-CB 3.26Å; P472-C476 WeakPolarHBondContact O-CB 3.26Å; P472-C476 PolarHBondContact O-N 3.42Å; P472-C476 PolarHBondContact O-SG 3.24Å; C476-A479 PolarHBondContact O-N 2.94Å; C476-K480 PolarHBondContact O-N 3.04Å; C476-R505 PolarHBondContact SG-O 3.25Å; C476-V510 HydrophobicContact CB-CG2 4.04Å
477	A	86.9	Confident	84.8	Confident	56 Å²	56	48 Å²	48	46%	0.463	27%	0.273	S	S	.	.	H	α-helix	trans	-65.9	-46.4	176.5	0	0	0	0	0	112.3	S473 L474 A479 K480 I481	S473-A477 WeakPolarHBondContact O-CB 3.41Å; S473-A477 PolarHBondContact O-N 3.09Å; L474-A477 PolarHBondContact O-N 3.38Å; A477-A479 VanDerWaalsContact C-N 3.28Å; A477-A479 PolarHBondContact O-N 2.92Å; A477-K480 WeakPolarHBondContact O-CB 3.49Å; A477-K480 PolarHBondContact O-N 3.18Å; A477-I481 PolarHBondContact O-N 3.26Å
478	A	89.4	Confident	85.4	Confident	8 Å²	8	48.4 Å²	48.4	7%	0.066	28%	0.28	C	S	.	.	H	α-helix	trans	-60.3	-40.4	173.4	0	0	0	0	0	111.2	L474 K480 I481 G482 D483 A486 L487	L474-A478 WeakPolarHBondContact O-CB 3.27Å; L474-A478 PolarHBondContact O-N 3Å; A478-K480 VanDerWaalsContact C-N 3.29Å; A478-K480 PolarHBondContact O-N 2.96Å; A478-I481 VanDerWaalsContact O-CG1 3.23Å; A478-I481 WeakPolarHBondContact O-CG1 3.14Å; A478-I481 PolarHBondContact O-N 2.79Å; A478-G482 PolarHBondContact O-N 3.25Å; A478-G482 VanDerWaalsContact O-N 3.15Å; A478-D483 PolarHBondContact O-N 3.31Å; A478-A486 HydrophobicContact CB-CB 4.05Å; A478-L487 HydrophobicContact CB-CD2 3.65Å; A478-L487 HydrophobicContact CB-CG 4.03Å
479	A	92.9	Very high	85.8	Confident	0 Å²	0	47 Å²	47	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-64.9	-33.3	177	0	0	0	0	0	113.3	T475 C476 A477 G482 L487 P507 V510 A511 H516 L519	T475-A479 VanDerWaalsContact O-CB 3.24Å; T475-A479 WeakPolarHBondContact O-CB 3.47Å; T475-A479 PolarHBondContact O-N 3.14Å; C476-A479 PolarHBondContact O-N 2.94Å; A477-A479 VanDerWaalsContact C-N 3.28Å; A477-A479 PolarHBondContact O-N 2.92Å; A479-G482 PolarHBondContact O-N 3.37Å; A479-L487 HydrophobicContact CB-CD1 4.34Å; A479-P507 HydrophobicContact CB-CB 4.02Å; A479-P507 WeakPolarHBondContact CB-O 3.36Å; A479-V510 HydrophobicContact CB-CB 4.16Å; A479-V510 HydrophobicContact CB-CG1 4.31Å; A479-A511 HydrophobicContact CB-CB 4.49Å; A479-H516 PolarHBondContact O-CD2 3.41Å; A479-L519 VanDerWaalsContact CA-CD2 3.5Å; A479-L519 HydrophobicContact CB-CD2 3.87Å; A479-L519 WeakPolarHBondContact O-CD2 3.44Å
480	K	91.6	Very high	85.9	Confident	125 Å²	125	45.3 Å²	45.3	54%	0.543	26%	0.262	S	S	.	.	H	α-helix	trans	-62.9	-43.7	177.1	-169.5	177.3	-179.7	175.6	0	112.6	C476 A477 A478 G482 V510 E514 H516	C476-K480 PolarHBondContact O-N 3.04Å; A477-K480 WeakPolarHBondContact O-CB 3.49Å; A477-K480 PolarHBondContact O-N 3.18Å; A478-K480 VanDerWaalsContact C-N 3.29Å; A478-K480 PolarHBondContact O-N 2.96Å; K480-G482 VanDerWaalsContact C-N 3.28Å; K480-V510 HydrophobicContact CB-CG1 3.69Å; K480-V510 HydrophobicContact CG-CG1 4.25Å; K480-E514 HydrophobicContact CG-CG 4.22Å; K480-H516 PolarHBondContact O-NE2 3.39Å
481	I	91.4	Very high	85.9	Confident	120 Å²	120	45.3 Å²	45.3	62%	0.615	26%	0.259	S	S	*	.	H	α-helix	trans	-82.2	-6.7	179.4	60.5	169.4	0	0	0	113.1	A477 A478 D483	A477-I481 PolarHBondContact O-N 3.26Å; A478-I481 VanDerWaalsContact O-CG1 3.23Å; A478-I481 WeakPolarHBondContact O-CG1 3.14Å; A478-I481 PolarHBondContact O-N 2.79Å; I481-D483 VanDerWaalsContact C-N 3.35Å; I481-D483 HydrophobicContact CD1-CB 3.66Å; I481-D483 HydrophobicContact CG1-CB 3.71Å
482	G	88.8	Confident	85.6	Confident	21 Å²	21	52.5 Å²	52.5	22%	0.216	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	77.7	19.8	-179.1	0	0	0	0	0	113.7	A478 A479 K480 T484 H516	A478-G482 PolarHBondContact O-N 3.25Å; A478-G482 VanDerWaalsContact O-N 3.15Å; A479-G482 PolarHBondContact O-N 3.37Å; K480-G482 VanDerWaalsContact C-N 3.28Å; G482-T484 PolarHBondContact O-N 2.85Å; G482-H516 VanDerWaalsContact CA-CD2 3.45Å; G482-H516 WeakPolarHBondContact CA-CD2 3.31Å; G482-H516 PolarHBondContact N-NE2 2.92Å
483	D	88.5	Confident	84.8	Confident	58 Å²	58	54.5 Å²	54.5	31%	0.31	30%	0.301	S	S	.	.			trans	-79.9	89.9	-175.6	-170.9	-13.7	0	0	0	110.8	A478 I481 E485 A486 L487	A478-D483 PolarHBondContact O-N 3.31Å; I481-D483 VanDerWaalsContact C-N 3.35Å; I481-D483 HydrophobicContact CD1-CB 3.66Å; I481-D483 HydrophobicContact CG1-CB 3.71Å; D483-E485 VanDerWaalsContact C-N 3.29Å; D483-E485 PolarHBondContact OD1-N 3.13Å; D483-E485 VanDerWaalsContact OD1-N 3.1Å; D483-A486 HydrophobicContact CB-CB 4.04Å; D483-A486 PolarHBondContact OD1-N 3.29Å; D483-A486 VanDerWaalsContact OD2-CB 3.31Å; D483-A486 WeakPolarHBondContact OD2-CB 3.41Å; D483-L487 PolarHBondContact O-N 2.99Å
484	T	89.1	Confident	83.8	Confident	54 Å²	54	53.8 Å²	53.8	33%	0.331	30%	0.302	S	S	.	.	H	α-helix	trans	-63	-36.2	175.7	47.5	0	0	0	0	112	G482 L487 V488 L519	G482-T484 PolarHBondContact O-N 2.85Å; T484-L487 PolarHBondContact O-N 2.82Å; T484-V488 VanDerWaalsContact O-CG2 3.27Å; T484-V488 WeakPolarHBondContact O-CG2 3.18Å; T484-V488 PolarHBondContact O-N 3.02Å; T484-L519 HydrophobicContact CG2-CB 4.22Å; T484-L519 HydrophobicContact CG2-CD1 3.53Å
485	E	85	Confident	83.2	Confident	156 Å²	156	50.9 Å²	50.9	73%	0.729	29%	0.287	S	S	*	.	H	α-helix	trans	-69.1	-43	-176	-66.5	178.2	-173.5	0	0	110.5	D483 L487 V488 A489	D483-E485 VanDerWaalsContact C-N 3.29Å; D483-E485 PolarHBondContact OD1-N 3.13Å; D483-E485 VanDerWaalsContact OD1-N 3.1Å; E485-L487 VanDerWaalsContact C-N 3.34Å; E485-L487 PolarHBondContact O-N 3Å; E485-V488 PolarHBondContact O-N 3.21Å; E485-A489 WeakPolarHBondContact O-CB 3.5Å; E485-A489 PolarHBondContact O-N 3.12Å
486	A	83.1	Confident	82.5	Confident	28 Å²	28	51.7 Å²	51.7	23%	0.231	29%	0.291	C	S	.	.	H	α-helix	trans	-61.5	-39.9	173.1	0	0	0	0	0	112.3	A478 D483 A489 L490	A478-A486 HydrophobicContact CB-CB 4.05Å; D483-A486 HydrophobicContact CB-CB 4.04Å; D483-A486 PolarHBondContact OD1-N 3.29Å; D483-A486 VanDerWaalsContact OD2-CB 3.31Å; D483-A486 WeakPolarHBondContact OD2-CB 3.41Å; A486-A489 PolarHBondContact O-N 2.89Å; A486-L490 WeakPolarHBondContact O-CB 3.44Å; A486-L490 WeakPolarHBondContact O-CD1 3.29Å; A486-L490 WeakPolarHBondContact O-CG 3.34Å; A486-L490 PolarHBondContact O-N 3.01Å
487	L	85.8	Confident	82.1	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-68.7	-34.9	175.7	-73	-164.6	0	0	0	113.3	T475 A478 A479 D483 T484 E485 L490 K491 L497 L519 Y522 L523	T475-L487 HydrophobicContact CG2-CD2 4.04Å; T475-L487 WeakPolarHBondContact O-CD2 3.37Å; A478-L487 HydrophobicContact CB-CD2 3.65Å; A478-L487 HydrophobicContact CB-CG 4.03Å; A479-L487 HydrophobicContact CB-CD1 4.34Å; D483-L487 PolarHBondContact O-N 2.99Å; T484-L487 PolarHBondContact O-N 2.82Å; E485-L487 VanDerWaalsContact C-N 3.34Å; E485-L487 PolarHBondContact O-N 3Å; L487-L490 HydrophobicContact CD2-CD1 4.16Å; L487-K491 WeakPolarHBondContact O-CB 3.31Å; L487-K491 PolarHBondContact O-N 2.87Å; L487-L497 HydrophobicContact CB-CD1 4.4Å; L487-L497 HydrophobicContact CD2-CD2 4.05Å; L487-L519 HydrophobicContact CD1-CD1 3.53Å; L487-L519 HydrophobicContact CD1-CD2 4.25Å; L487-L519 HydrophobicContact CD1-CG 4.2Å; L487-L519 HydrophobicContact CG-CD1 4.31Å; L487-Y522 HydrophobicContact CB-CE1 4.19Å; L487-L523 HydrophobicContact CD1-CD1 4.43Å; L487-L523 HydrophobicContact CD1-CD2 3.93Å; L487-L523 HydrophobicContact CD1-CG 4.38Å
488	V	83.5	Confident	81.7	Confident	50 Å²	50	51.1 Å²	51.1	30%	0.303	28%	0.276	S	S	.	.	H	α-helix	trans	-63.7	-50	172	170.5	0	0	0	0	109.8	T484 E485 L490 K491 E492 Y522	T484-V488 VanDerWaalsContact O-CG2 3.27Å; T484-V488 WeakPolarHBondContact O-CG2 3.18Å; T484-V488 PolarHBondContact O-N 3.02Å; E485-V488 PolarHBondContact O-N 3.21Å; V488-L490 VanDerWaalsContact C-N 3.35Å; V488-L490 PolarHBondContact O-N 3.39Å; V488-K491 WeakPolarHBondContact O-CA 3.43Å; V488-K491 WeakPolarHBondContact O-CB 3.35Å; V488-K491 PolarHBondContact O-N 3.48Å; V488-E492 HydrophobicContact CG1-CG 4.46Å; V488-E492 WeakPolarHBondContact O-CG 3.42Å; V488-E492 PolarHBondContact O-N 2.91Å; V488-Y522 HydrophobicContact CG2-CE1 4.29Å; V488-Y522 HydrophobicContact CG2-CE2 3.78Å; V488-Y522 WeakPolarHBondContact CG2-OH 3.44Å
489	A	77.8	Confident	81.2	Confident	40 Å²	40	52.8 Å²	52.8	33%	0.331	28%	0.283	S	S	.	.	H	α-helix	trans	-60.2	-42.7	178	0	0	0	0	0	112.1	E485 A486 K491 E492 M493	E485-A489 WeakPolarHBondContact O-CB 3.5Å; E485-A489 PolarHBondContact O-N 3.12Å; A486-A489 PolarHBondContact O-N 2.89Å; A489-K491 VanDerWaalsContact C-N 3.32Å; A489-K491 PolarHBondContact O-N 3.25Å; A489-E492 PolarHBondContact O-N 2.77Å; A489-M493 HydrophobicContact CB-CE 4.43Å; A489-M493 WeakPolarHBondContact O-CB 3.14Å; A489-M493 WeakPolarHBondContact O-CE 3.23Å; A489-M493 VanDerWaalsContact O-CG 3.29Å; A489-M493 WeakPolarHBondContact O-CG 3.27Å; A489-M493 PolarHBondContact O-N 3.16Å
490	L	77.9	Confident	80.7	Confident	20 Å²	20	54.2 Å²	54.2	11%	0.105	30%	0.299	C	S	.	.	H	α-helix	trans	-60.3	-43.5	174.1	-75	164.2	0	0	0	111	L474 T475 A486 L487 V488 M493 G494 S495	L474-L490 HydrophobicContact CB-CD1 4.44Å; T475-L490 HydrophobicContact CG2-CB 4.42Å; T475-L490 HydrophobicContact CG2-CD1 3.91Å; A486-L490 WeakPolarHBondContact O-CB 3.44Å; A486-L490 WeakPolarHBondContact O-CD1 3.29Å; A486-L490 WeakPolarHBondContact O-CG 3.34Å; A486-L490 PolarHBondContact O-N 3.01Å; L487-L490 HydrophobicContact CD2-CD1 4.16Å; V488-L490 VanDerWaalsContact C-N 3.35Å; V488-L490 PolarHBondContact O-N 3.39Å; L490-M493 HydrophobicContact CD2-CE 3.95Å; L490-M493 HydrophobicContact CG-CE 4.3Å; L490-M493 CarbonylContact O-C 3.54Å; L490-M493 WeakPolarHBondContact O-CA 3.47Å; L490-M493 WeakPolarHBondContact O-CB 3.48Å; L490-M493 PolarHBondContact O-N 2.77Å; L490-G494 PolarHBondContact O-N 2.81Å; L490-S495 WeakPolarHBondContact O-CB 3.29Å; L490-S495 PolarHBondContact O-N 2.85Å; L490-S495 PolarHBondContact O-OG 3.48Å
491	K	78.1	Confident	80.2	Confident	73 Å²	73	49.4 Å²	49.4	32%	0.317	28%	0.279	S	S	.	.	H	α-helix	trans	-64.1	-41.2	177.2	-175.8	57.4	176	176.4	0	112.7	L487 V488 A489 M493 G494 S495 L497	L487-K491 WeakPolarHBondContact O-CB 3.31Å; L487-K491 PolarHBondContact O-N 2.87Å; V488-K491 WeakPolarHBondContact O-CA 3.43Å; V488-K491 WeakPolarHBondContact O-CB 3.35Å; V488-K491 PolarHBondContact O-N 3.48Å; A489-K491 VanDerWaalsContact C-N 3.32Å; A489-K491 PolarHBondContact O-N 3.25Å; K491-M493 VanDerWaalsContact C-N 3.28Å; K491-M493 PolarHBondContact O-N 3.39Å; K491-G494 WeakPolarHBondContact O-CA 3.43Å; K491-G494 PolarHBondContact O-N 2.83Å; K491-S495 WeakPolarHBondContact CD-O 3.39Å; K491-L497 HydrophobicContact CB-CD1 4.08Å; K491-L497 HydrophobicContact CB-CG 4.31Å; K491-L497 HydrophobicContact CD-CD1 4.47Å; K491-L497 HydrophobicContact CD-CG 4.24Å; K491-L497 HydrophobicContact CG-CD1 4.46Å
492	E	74.5	Confident	79.6	Confident	157 Å²	157	52.3 Å²	52.3	73%	0.734	29%	0.287	S	S	*	.	H	α-helix	trans	-64.9	-32.7	174.1	-71.2	178.1	171.2	0	0	112.1	V488 A489 G494	V488-E492 HydrophobicContact CG1-CG 4.46Å; V488-E492 WeakPolarHBondContact O-CG 3.42Å; V488-E492 PolarHBondContact O-N 2.91Å; A489-E492 PolarHBondContact O-N 2.77Å; E492-G494 PolarHBondContact O-N 2.91Å; E492-G494 VanDerWaalsContact O-N 3.17Å
493	M	66.4	Low	79.1	Confident	51 Å²	51	53.2 Å²	53.2	25%	0.251	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	16.5	167.7	-67.3	-174	-72.9	0	0	113.1	L442 S445 A489 L490 K491 S495	L442-M493 WeakPolarHBondContact CD2-O 3.28Å; S445-M493 PolarHBondContact OG-SD 2.81Å; S445-M493 VanDerWaalsContact OG-SD 3.33Å; A489-M493 HydrophobicContact CB-CE 4.43Å; A489-M493 WeakPolarHBondContact O-CB 3.14Å; A489-M493 WeakPolarHBondContact O-CE 3.23Å; A489-M493 VanDerWaalsContact O-CG 3.29Å; A489-M493 WeakPolarHBondContact O-CG 3.27Å; A489-M493 PolarHBondContact O-N 3.16Å; L490-M493 HydrophobicContact CD2-CE 3.95Å; L490-M493 HydrophobicContact CG-CE 4.3Å; L490-M493 CarbonylContact O-C 3.54Å; L490-M493 WeakPolarHBondContact O-CA 3.47Å; L490-M493 WeakPolarHBondContact O-CB 3.48Å; L490-M493 PolarHBondContact O-N 2.77Å; K491-M493 VanDerWaalsContact C-N 3.28Å; K491-M493 PolarHBondContact O-N 3.39Å; M493-S495 PolarHBondContact O-N 2.81Å
494	G	65.3	Low	78.7	Confident	37 Å²	37	51.8 Å²	51.8	38%	0.381	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.3	14.3	174	0	0	0	0	0	114.8	L490 K491 E492	L490-G494 PolarHBondContact O-N 2.81Å; K491-G494 WeakPolarHBondContact O-CA 3.43Å; K491-G494 PolarHBondContact O-N 2.83Å; E492-G494 PolarHBondContact O-N 2.91Å; E492-G494 VanDerWaalsContact O-N 3.17Å
495	S	72.8	Confident	78.7	Confident	5 Å²	5	53.6 Å²	53.6	4%	0.035	29%	0.287	C	S	.	.			trans	-65.3	135.9	170.9	-70.7	0	0	0	0	110.8	T471 L490 K491 M493 L497	T471-S495 VanDerWaalsContact CG2-CB 3.4Å; T471-S495 WeakPolarHBondContact CG2-OG 3.4Å; T471-S495 PolarHBondContact OG1-OG 2.95Å; L490-S495 WeakPolarHBondContact O-CB 3.29Å; L490-S495 PolarHBondContact O-N 2.85Å; L490-S495 PolarHBondContact O-OG 3.48Å; K491-S495 WeakPolarHBondContact CD-O 3.39Å; M493-S495 PolarHBondContact O-N 2.81Å; S495-L497 PolarHBondContact O-N 3.23Å
496	D	73.5	Confident	79	Confident	16 Å²	16	46.7 Å²	46.7	9%	0.086	26%	0.255	C	S	.	.			trans	-85.7	104	171.5	-171.6	4	0	0	0	111.3	R498 L499	D496-R498 PolarHBondContact O-N 2.96Å; D496-R498 VanDerWaalsContact O-N 3.11Å; D496-R498 WeakPolarHBondContact OD1-CB 3.42Å; D496-R498 WeakPolarHBondContact OD1-CD 3.13Å; D496-R498 WeakPolarHBondContact OD1-CG 3.42Å; D496-R498 IonicContact OD1-CZ 3.62Å; D496-R498 PolarHBondContact OD1-N 3.31Å; D496-R498 IonicContact OD1-NE 2.71Å; D496-R498 PolarHBondContact OD1-NE 3.1Å; D496-R498 IonicContact OD1-NH2 3.89Å; D496-R498 IonicContact OD2-CZ 3.37Å; D496-R498 VanDerWaalsContact OD2-CZ 3.24Å; D496-R498 IonicContact OD2-NE 2.67Å; D496-R498 PolarHBondContact OD2-NE 2.83Å; D496-R498 IonicContact OD2-NH2 3.18Å; D496-R498 PolarHBondContact OD2-NH2 3.25Å; D496-L499 HydrophobicContact CB-CD1 3.96Å; D496-L499 HydrophobicContact CB-CG 3.94Å; D496-L499 PolarHBondContact O-N 3.02Å
497	L	82.2	Confident	79.5	Confident	4 Å²	4	45.3 Å²	45.3	2%	0.021	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-2	177.1	-54.5	-173.8	0	0	0	113.8	T475 L487 K491 S495 P507 Y522 L523	T475-L497 HydrophobicContact CG2-CD2 3.4Å; L487-L497 HydrophobicContact CB-CD1 4.4Å; L487-L497 HydrophobicContact CD2-CD2 4.05Å; K491-L497 HydrophobicContact CB-CD1 4.08Å; K491-L497 HydrophobicContact CB-CG 4.31Å; K491-L497 HydrophobicContact CD-CD1 4.47Å; K491-L497 HydrophobicContact CD-CG 4.24Å; K491-L497 HydrophobicContact CG-CD1 4.46Å; S495-L497 PolarHBondContact O-N 3.23Å; L497-P507 WeakPolarHBondContact O-CD 3.45Å; L497-Y522 HydrophobicContact CD1-CE1 3.78Å; L497-L523 HydrophobicContact CB-CD2 4.14Å; L497-L523 HydrophobicContact CD1-CD2 4.03Å
498	R	78.7	Confident	80	Confident	51 Å²	51	45.3 Å²	45.3	19%	0.192	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-16.6	-178.9	-53.5	169.7	-58.6	163.7	10.2	112.3	W286 V289 D496	W286-R498 PolarHBondContact O-NH2 3.14Å; W286-R498 VanDerWaalsContact O-NH2 3.15Å; V289-R498 PolarHBondContact O-NH1 2.83Å; V289-R498 VanDerWaalsContact O-NH1 3.12Å; D496-R498 PolarHBondContact O-N 2.96Å; D496-R498 VanDerWaalsContact O-N 3.11Å; D496-R498 WeakPolarHBondContact OD1-CB 3.42Å; D496-R498 WeakPolarHBondContact OD1-CD 3.13Å; D496-R498 WeakPolarHBondContact OD1-CG 3.42Å; D496-R498 IonicContact OD1-CZ 3.62Å; D496-R498 PolarHBondContact OD1-N 3.31Å; D496-R498 IonicContact OD1-NE 2.71Å; D496-R498 PolarHBondContact OD1-NE 3.1Å; D496-R498 IonicContact OD1-NH2 3.89Å; D496-R498 IonicContact OD2-CZ 3.37Å; D496-R498 VanDerWaalsContact OD2-CZ 3.24Å; D496-R498 IonicContact OD2-NE 2.67Å; D496-R498 PolarHBondContact OD2-NE 2.83Å; D496-R498 IonicContact OD2-NH2 3.18Å; D496-R498 PolarHBondContact OD2-NH2 3.25Å
499	L	78.1	Confident	80.5	Confident	42 Å²	42	43 Å²	43	22%	0.22	23%	0.23	C	C	.	.			trans	-76.3	147.1	-175.4	-60.3	178.3	0	0	0	111.8	W286 P472 D496 P507	W286-L499 HydrophobicContact CB-CD2 4.46Å; P472-L499 HydrophobicContact CB-CB 4.44Å; P472-L499 HydrophobicContact CG-CB 3.89Å; P472-L499 HydrophobicContact CG-CD1 4.47Å; D496-L499 HydrophobicContact CB-CD1 3.96Å; D496-L499 HydrophobicContact CB-CG 3.94Å; D496-L499 PolarHBondContact O-N 3.02Å; L499-P507 WeakPolarHBondContact O-CD 3.47Å
500	G	82	Confident	81.3	Confident	31 Å²	31	41.8 Å²	41.8	32%	0.32	22%	0.219	S	C	.	.			trans	-93.2	150.6	175.8	0	0	0	0	0	112.3	P472 R505	P472-G500 WeakPolarHBondContact CB-O 3.26Å; G500-R505 CarbonylContact C-O 3.53Å; G500-R505 VanDerWaalsContact CA-O 3.28Å; G500-R505 WeakPolarHBondContact CA-O 3.29Å
501	D	82.3	Confident	82.2	Confident	23 Å²	23	40.8 Å²	40.8	12%	0.123	21%	0.214	C	C	.	.			trans	-66.1	-174.6	169.6	72.3	2.3	0	0	0	112	D503 G504 R505	D501-D503 PolarHBondContact O-N 2.9Å; D501-D503 VanDerWaalsContact O-N 3.14Å; D501-D503 WeakPolarHBondContact OD1-CA 3.27Å; D501-D503 WeakPolarHBondContact OD1-CB 3.08Å; D501-D503 PolarHBondContact OD1-N 3.3Å; D501-G504 WeakPolarHBondContact O-CA 3.41Å; D501-G504 PolarHBondContact O-N 3.45Å; D501-G504 PolarHBondContact OD1-N 3.47Å; D501-G504 VanDerWaalsContact OD1-N 3.16Å; D501-R505 PolarHBondContact N-O 3.34Å; D501-R505 WeakPolarHBondContact OD1-CB 3.15Å; D501-R505 PolarHBondContact OD1-N 3.43Å; D501-R505 IonicContact OD1-NE 3.76Å; D501-R505 IonicContact OD2-CZ 2.68Å; D501-R505 IonicContact OD2-NE 3.69Å; D501-R505 PolarHBondContact OD2-NE 2.95Å; D501-R505 IonicContact OD2-NH2 3.3Å; D501-R505 PolarHBondContact OD2-NH2 2.86Å
502	F	77.8	Confident	83.1	Confident	181 Å²	181	37.3 Å²	37.3	79%	0.794	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-19.6	178	-64.6	-74.8	0	0	0	113.9	G504	F502-G504 VanDerWaalsContact C-N 3.32Å
503	D	78.6	Confident	84.1	Confident	40 Å²	40	31 Å²	31	21%	0.214	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	5.9	173.3	-65.5	-40.4	0	0	0	112.1	D501 R505 R535	D501-D503 PolarHBondContact O-N 2.9Å; D501-D503 VanDerWaalsContact O-N 3.14Å; D501-D503 WeakPolarHBondContact OD1-CA 3.27Å; D501-D503 WeakPolarHBondContact OD1-CB 3.08Å; D501-D503 PolarHBondContact OD1-N 3.3Å; D503-R505 HydrophobicContact CB-CG 4.25Å; D503-R505 PolarHBondContact O-N 3.27Å; D503-R505 IonicContact OD2-CZ 3.86Å; D503-R505 IonicContact OD2-NH2 2.61Å; D503-R505 PolarHBondContact OD2-NH2 3.4Å; D503-R535 HydrophobicContact CB-CG 4.13Å; D503-R535 VanDerWaalsContact O-CB 3.29Å; D503-R535 WeakPolarHBondContact O-CB 3.3Å; D503-R535 WeakPolarHBondContact O-CG 3.49Å; D503-R535 PolarHBondContact O-N 3.23Å; D503-R535 WeakPolarHBondContact OD1-CD 3.35Å; D503-R535 IonicContact OD1-CZ 3.38Å; D503-R535 IonicContact OD1-NE 3.17Å; D503-R535 IonicContact OD1-NH1 2.74Å; D503-R535 PolarHBondContact OD1-NH1 3.04Å
504	G	80.9	Confident	85.5	Confident	29 Å²	29	32.5 Å²	32.5	30%	0.299	18%	0.178	S	C	.	.	S	Bend	trans	73.1	6.4	-175.8	0	0	0	0	0	113.9	D501 F502 T506	D501-G504 WeakPolarHBondContact O-CA 3.41Å; D501-G504 PolarHBondContact O-N 3.45Å; D501-G504 PolarHBondContact OD1-N 3.47Å; D501-G504 VanDerWaalsContact OD1-N 3.16Å; F502-G504 VanDerWaalsContact C-N 3.32Å; G504-T506 PolarHBondContact O-N 3.39Å
505	R	87.9	Confident	86.9	Confident	92 Å²	92	31.8 Å²	31.8	35%	0.347	17%	0.171	S	C	.	.			trans	-78.9	123.7	179.1	-61.7	179.9	-58.6	-163.2	-8.9	109.5	C476 G500 D501 D503 H509 D534	C476-R505 PolarHBondContact SG-O 3.25Å; G500-R505 CarbonylContact C-O 3.53Å; G500-R505 VanDerWaalsContact CA-O 3.28Å; G500-R505 WeakPolarHBondContact CA-O 3.29Å; D501-R505 PolarHBondContact N-O 3.34Å; D501-R505 WeakPolarHBondContact OD1-CB 3.15Å; D501-R505 PolarHBondContact OD1-N 3.43Å; D501-R505 IonicContact OD1-NE 3.76Å; D501-R505 IonicContact OD2-CZ 2.68Å; D501-R505 IonicContact OD2-NE 3.69Å; D501-R505 PolarHBondContact OD2-NE 2.95Å; D501-R505 IonicContact OD2-NH2 3.3Å; D501-R505 PolarHBondContact OD2-NH2 2.86Å; D503-R505 HydrophobicContact CB-CG 4.25Å; D503-R505 PolarHBondContact O-N 3.27Å; D503-R505 IonicContact OD2-CZ 3.86Å; D503-R505 IonicContact OD2-NH2 2.61Å; D503-R505 PolarHBondContact OD2-NH2 3.4Å; R505-H509 HydrophobicContact CB-CB 4.11Å; R505-D534 HydrophobicContact CG-CB 3.71Å
506	T	91.7	Very high	88	Confident	10 Å²	10	34.2 Å²	34.2	6%	0.061	18%	0.181	C	C	.	.			trans	-82	163.4	171	69.4	0	0	0	0	110.7	G504 L508 H509 V510 A532	G504-T506 PolarHBondContact O-N 3.39Å; T506-L508 PolarHBondContact O-N 3.08Å; T506-L508 PolarHBondContact OG1-N 2.87Å; T506-H509 PolarHBondContact N-ND1 2.68Å; T506-H509 VanDerWaalsContact N-ND1 3.12Å; T506-H509 WeakPolarHBondContact O-CB 3.46Å; T506-H509 PolarHBondContact O-N 2.83Å; T506-H509 PolarHBondContact OG1-ND1 3.05Å; T506-V510 PolarHBondContact O-N 3.3Å; T506-A532 HydrophobicContact CG2-CB 4.15Å
507	P	93.6	Very high	89	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-50.8	-31.8	171.2	-30.8	37.5	0	0	0	113.3	T475 A479 L497 L499 V510 A511 L523	T475-P507 WeakPolarHBondContact OG1-CG 3.27Å; A479-P507 HydrophobicContact CB-CB 4.02Å; A479-P507 WeakPolarHBondContact CB-O 3.36Å; L497-P507 WeakPolarHBondContact O-CD 3.45Å; L499-P507 WeakPolarHBondContact O-CD 3.47Å; P507-V510 PolarHBondContact O-N 3.44Å; P507-A511 VanDerWaalsContact O-CB 3.31Å; P507-A511 WeakPolarHBondContact O-CB 3.39Å; P507-A511 PolarHBondContact O-N 3.4Å; P507-L523 HydrophobicContact CB-CD1 3.94Å; P507-L523 HydrophobicContact CB-CD2 3.96Å
508	L	95.6	Very high	89.5	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-67.3	-37.1	176.6	-176.1	63.4	0	0	0	112.4	T506 V510 A512 V520 L523 L524 A528 V530 P540 L556	T506-L508 PolarHBondContact O-N 3.08Å; T506-L508 PolarHBondContact OG1-N 2.87Å; L508-V510 VanDerWaalsContact C-N 3.33Å; L508-A512 WeakPolarHBondContact O-CB 3.35Å; L508-A512 PolarHBondContact O-N 3.36Å; L508-V520 HydrophobicContact CD1-CB 4.36Å; L508-V520 HydrophobicContact CD1-CG1 3.87Å; L508-V520 HydrophobicContact CD1-CG2 4.4Å; L508-L523 HydrophobicContact CB-CD1 4.33Å; L508-L523 HydrophobicContact CD1-CB 4.16Å; L508-L523 HydrophobicContact CD1-CD1 4.48Å; L508-L524 HydrophobicContact CD1-CD2 4.27Å; L508-L524 HydrophobicContact CD1-CG 4.25Å; L508-L524 HydrophobicContact CD2-CD2 3.84Å; L508-A528 HydrophobicContact CB-CB 4.08Å; L508-A528 HydrophobicContact CD2-CB 3.86Å; L508-A528 HydrophobicContact CG-CB 4.47Å; L508-V530 HydrophobicContact CD2-CG1 4.27Å; L508-P540 HydrophobicContact CB-CG 4.39Å; L508-P540 HydrophobicContact CD2-CB 4.25Å; L508-P540 HydrophobicContact CD2-CG 3.9Å; L508-P540 HydrophobicContact CG-CB 3.92Å; L508-P540 HydrophobicContact CG-CG 3.86Å; L508-L556 HydrophobicContact CD1-CD2 4.44Å
509	H	95.5	Very high	90.3	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-61.7	-44.4	174	-70.3	80.8	0	0	0	111.1	R505 T506 C513 A532 D538	R505-H509 HydrophobicContact CB-CB 4.11Å; T506-H509 PolarHBondContact N-ND1 2.68Å; T506-H509 VanDerWaalsContact N-ND1 3.12Å; T506-H509 WeakPolarHBondContact O-CB 3.46Å; T506-H509 PolarHBondContact O-N 2.83Å; T506-H509 PolarHBondContact OG1-ND1 3.05Å; H509-C513 VanDerWaalsContact O-CB 3.26Å; H509-C513 WeakPolarHBondContact O-CB 3.29Å; H509-C513 PolarHBondContact O-N 2.99Å; H509-A532 PolarHBondContact CE1-O 3.31Å; H509-A532 PolarHBondContact NE2-O 3.34Å; H509-D538 PolarHBondContact NE2-O 3.01Å
510	V	94.6	Very high	91.1	Very high	15 Å²	15	42.9 Å²	42.9	9%	0.091	21%	0.214	C	C	.	.	H	α-helix	trans	-71	-46.8	-177.4	-177.3	0	0	0	0	110.8	C476 A479 K480 T506 P507 L508 A512 C513 E514	C476-V510 HydrophobicContact CB-CG2 4.04Å; A479-V510 HydrophobicContact CB-CB 4.16Å; A479-V510 HydrophobicContact CB-CG1 4.31Å; K480-V510 HydrophobicContact CB-CG1 3.69Å; K480-V510 HydrophobicContact CG-CG1 4.25Å; T506-V510 PolarHBondContact O-N 3.3Å; P507-V510 PolarHBondContact O-N 3.44Å; L508-V510 VanDerWaalsContact C-N 3.33Å; V510-A512 PolarHBondContact O-N 2.88Å; V510-C513 WeakPolarHBondContact O-CB 3.24Å; V510-C513 PolarHBondContact O-N 3.25Å; V510-C513 VanDerWaalsContact O-N 3.14Å; V510-E514 HydrophobicContact CG1-CG 4.48Å; V510-E514 WeakPolarHBondContact O-CG 3.07Å; V510-E514 PolarHBondContact O-N 3.48Å
511	A	96.3	Very high	91.6	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-59.4	-37.6	175.8	0	0	0	0	0	112	A479 P507 G515 H516 L519 V520 L523	A479-A511 HydrophobicContact CB-CB 4.49Å; P507-A511 VanDerWaalsContact O-CB 3.31Å; P507-A511 WeakPolarHBondContact O-CB 3.39Å; P507-A511 PolarHBondContact O-N 3.4Å; A511-G515 PolarHBondContact O-N 2.73Å; A511-H516 PolarHBondContact O-N 3.39Å; A511-L519 HydrophobicContact CB-CB 4.34Å; A511-L519 HydrophobicContact CB-CD2 3.65Å; A511-L519 HydrophobicContact CB-CG 4.04Å; A511-V520 HydrophobicContact CB-CG2 3.83Å; A511-L523 HydrophobicContact CB-CD1 3.93Å
512	A	96.9	Very high	92	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-71.1	-36.2	176.5	0	0	0	0	0	112.9	L508 V510 E514 P540 A544 H549 V552 L556	L508-A512 WeakPolarHBondContact O-CB 3.35Å; L508-A512 PolarHBondContact O-N 3.36Å; V510-A512 PolarHBondContact O-N 2.88Å; A512-E514 VanDerWaalsContact C-N 3.34Å; A512-P540 HydrophobicContact CB-CB 4.07Å; A512-P540 WeakPolarHBondContact CB-O 3.36Å; A512-A544 HydrophobicContact CB-CB 4.27Å; A512-A544 WeakPolarHBondContact O-CA 3.44Å; A512-H549 PolarHBondContact O-CD2 3.03Å; A512-H549 VanDerWaalsContact O-CD2 3.26Å; A512-V552 HydrophobicContact CB-CG1 3.98Å; A512-L556 HydrophobicContact CB-CD1 4.22Å
513	C	95.3	Very high	92.7	Very high	24 Å²	24	36.8 Å²	36.8	16%	0.162	18%	0.178	C	C	.	.	H	α-helix	trans	-65.9	-32.9	174.9	-177.2	0	0	0	0	113.2	H509 V510 N543 F547 H549	H509-C513 VanDerWaalsContact O-CB 3.26Å; H509-C513 WeakPolarHBondContact O-CB 3.29Å; H509-C513 PolarHBondContact O-N 2.99Å; V510-C513 WeakPolarHBondContact O-CB 3.24Å; V510-C513 PolarHBondContact O-N 3.25Å; V510-C513 VanDerWaalsContact O-N 3.14Å; C513-N543 HydrophobicContact CB-CB 4.11Å; C513-F547 HydrophobicContact CB-CD2 4.33Å; C513-F547 WeakPolarHBondContact O-CB 3.48Å; C513-F547 WeakPolarHBondContact O-CG 3.3Å; C513-F547 WeakPolarHBondContact SG-CD2 3.35Å; C513-F547 WeakPolarHBondContact SG-CE2 3.49Å; C513-F547 VanDerWaalsContact SG-CZ 3.58Å; C513-H549 PolarHBondContact O-CD2 3.02Å; C513-H549 PolarHBondContact O-NE2 2.69Å
514	E	95.9	Very high	93.3	Very high	82 Å²	82	35.1 Å²	35.1	38%	0.383	17%	0.169	S	C	.	.	H	α-helix	trans	-97.1	-8.2	-178.5	-61.5	-71.6	169	0	0	112.8	K480 V510 A512 H549	K480-E514 HydrophobicContact CG-CG 4.22Å; V510-E514 HydrophobicContact CG1-CG 4.48Å; V510-E514 WeakPolarHBondContact O-CG 3.07Å; V510-E514 PolarHBondContact O-N 3.48Å; A512-E514 VanDerWaalsContact C-N 3.34Å; E514-H549 VanDerWaalsContact C-NE2 3.32Å
515	G	94.6	Very high	93.6	Very high	23 Å²	23	37.2 Å²	37.2	24%	0.237	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.9	17.9	175.2	0	0	0	0	0	115.4	A511 L517 H549	A511-G515 PolarHBondContact O-N 2.73Å; G515-L517 VanDerWaalsContact C-N 3.32Å; G515-L517 PolarHBondContact O-N 2.89Å; G515-H549 WeakPolarHBondContact CA-ND1 2.95Å; G515-H549 PolarHBondContact N-CD2 2.86Å; G515-H549 PolarHBondContact N-NE2 3.49Å
516	H	95.9	Very high	93.4	Very high	56 Å²	56	35.6 Å²	35.6	26%	0.259	17%	0.17	S	C	.	.			trans	-75.4	77.1	-176.6	-64.7	-49.4	0	0	0	112	A479 K480 G482 A511 R518 L519 V520	A479-H516 PolarHBondContact O-CD2 3.41Å; K480-H516 PolarHBondContact O-NE2 3.39Å; G482-H516 VanDerWaalsContact CA-CD2 3.45Å; G482-H516 WeakPolarHBondContact CA-CD2 3.31Å; G482-H516 PolarHBondContact N-NE2 2.92Å; A511-H516 PolarHBondContact O-N 3.39Å; H516-R518 VanDerWaalsContact C-N 3.35Å; H516-R518 PolarHBondContact O-N 2.98Å; H516-L519 HydrophobicContact CB-CB 3.73Å; H516-L519 HydrophobicContact CB-CD2 4.26Å; H516-L519 WeakPolarHBondContact O-CA 3.32Å; H516-L519 WeakPolarHBondContact O-CB 3.38Å; H516-L519 PolarHBondContact O-N 3.25Å; H516-V520 WeakPolarHBondContact O-CG2 3.5Å; H516-V520 PolarHBondContact O-N 2.98Å
517	L	94.2	Very high	93	Very high	69 Å²	69	35.3 Å²	35.3	36%	0.361	17%	0.169	S	C	.	.	H	α-helix	trans	-52	-45.9	-173.4	-178.8	65.6	0	0	0	114.1	G515 L519 V520 Q521 D551 V552 L555	G515-L517 VanDerWaalsContact C-N 3.32Å; G515-L517 PolarHBondContact O-N 2.89Å; L517-L519 VanDerWaalsContact C-N 3.31Å; L517-L519 PolarHBondContact O-N 3.13Å; L517-V520 PolarHBondContact O-N 2.88Å; L517-Q521 PolarHBondContact O-N 2.64Å; L517-D551 HydrophobicContact CD1-CB 4.36Å; L517-D551 HydrophobicContact CD2-CB 4.11Å; L517-V552 HydrophobicContact CB-CG2 4.34Å; L517-V552 HydrophobicContact CD1-CG2 4.24Å; L517-L555 HydrophobicContact CD1-CB 4.16Å; L517-L555 HydrophobicContact CD1-CD2 3.75Å
518	R	93.6	Very high	92.8	Very high	223 Å²	223	35.9 Å²	35.9	84%	0.842	17%	0.174	S	C	*	.	H	α-helix	trans	-62.9	-39.8	178.9	-68.8	-175.7	-179.8	174.2	0.2	111.8	H516 Q521 Y522	H516-R518 VanDerWaalsContact C-N 3.35Å; H516-R518 PolarHBondContact O-N 2.98Å; R518-Q521 PolarHBondContact O-N 2.96Å; R518-Y522 PolarHBondContact O-N 3.39Å
519	L	94.1	Very high	92.5	Very high	2 Å²	2	36.8 Å²	36.8	1%	0.01	18%	0.18	C	C	.	.	H	α-helix	trans	-69.6	-41.6	178.4	-170.8	69	0	0	0	111.5	A479 T484 L487 A511 H516 L517 Q521 Y522 L523	A479-L519 VanDerWaalsContact CA-CD2 3.5Å; A479-L519 HydrophobicContact CB-CD2 3.87Å; A479-L519 WeakPolarHBondContact O-CD2 3.44Å; T484-L519 HydrophobicContact CG2-CB 4.22Å; T484-L519 HydrophobicContact CG2-CD1 3.53Å; L487-L519 HydrophobicContact CD1-CD1 3.53Å; L487-L519 HydrophobicContact CD1-CD2 4.25Å; L487-L519 HydrophobicContact CD1-CG 4.2Å; L487-L519 HydrophobicContact CG-CD1 4.31Å; A511-L519 HydrophobicContact CB-CB 4.34Å; A511-L519 HydrophobicContact CB-CD2 3.65Å; A511-L519 HydrophobicContact CB-CG 4.04Å; H516-L519 HydrophobicContact CB-CB 3.73Å; H516-L519 HydrophobicContact CB-CD2 4.26Å; H516-L519 WeakPolarHBondContact O-CA 3.32Å; H516-L519 WeakPolarHBondContact O-CB 3.38Å; H516-L519 PolarHBondContact O-N 3.25Å; L517-L519 VanDerWaalsContact C-N 3.31Å; L517-L519 PolarHBondContact O-N 3.13Å; L519-Q521 VanDerWaalsContact C-N 3.33Å; L519-Q521 PolarHBondContact O-N 3.25Å; L519-Y522 PolarHBondContact O-N 2.72Å; L519-L523 HydrophobicContact CG-CD1 4.12Å; L519-L523 WeakPolarHBondContact O-CB 3.23Å; L519-L523 VanDerWaalsContact O-CG 3.31Å; L519-L523 WeakPolarHBondContact O-CG 3.44Å; L519-L523 PolarHBondContact O-N 2.88Å
520	V	95.1	Very high	92.3	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-56.9	-48.5	172.8	170.7	0	0	0	0	110	L508 A511 H516 L517 Y522 L523 L524 V552 L555 L556	L508-V520 HydrophobicContact CD1-CB 4.36Å; L508-V520 HydrophobicContact CD1-CG1 3.87Å; L508-V520 HydrophobicContact CD1-CG2 4.4Å; A511-V520 HydrophobicContact CB-CG2 3.83Å; H516-V520 WeakPolarHBondContact O-CG2 3.5Å; H516-V520 PolarHBondContact O-N 2.98Å; L517-V520 PolarHBondContact O-N 2.88Å; V520-Y522 VanDerWaalsContact C-N 3.34Å; V520-Y522 PolarHBondContact O-N 3.36Å; V520-L523 PolarHBondContact O-N 3.27Å; V520-L524 HydrophobicContact CG1-CD1 3.84Å; V520-L524 HydrophobicContact CG1-CG 4.42Å; V520-L524 VanDerWaalsContact O-CG 3.23Å; V520-L524 WeakPolarHBondContact O-CG 3.3Å; V520-L524 PolarHBondContact O-N 2.82Å; V520-V552 HydrophobicContact CG1-CG1 4.3Å; V520-V552 HydrophobicContact CG2-CG1 4.02Å; V520-V552 HydrophobicContact CG2-CG2 4.28Å; V520-L555 HydrophobicContact CB-CD2 4.41Å; V520-L555 HydrophobicContact CG1-CD2 3.8Å; V520-L555 HydrophobicContact CG1-CG 4.48Å; V520-L556 HydrophobicContact CG1-CD2 4.2Å; V520-L556 HydrophobicContact CG1-CG 4.49Å
521	Q	92.8	Very high	92.2	Very high	60 Å²	60	37.6 Å²	37.6	28%	0.28	18%	0.184	S	C	.	.	H	α-helix	trans	-59.2	-44.4	177	-176.4	64.3	63.3	0	0	112.3	L517 R518 L519 L524 N525 L555	L517-Q521 PolarHBondContact O-N 2.64Å; R518-Q521 PolarHBondContact O-N 2.96Å; L519-Q521 VanDerWaalsContact C-N 3.33Å; L519-Q521 PolarHBondContact O-N 3.25Å; Q521-L524 PolarHBondContact O-N 2.84Å; Q521-N525 PolarHBondContact NE2-OD1 3.24Å; Q521-N525 VanDerWaalsContact NE2-OD1 3.07Å; Q521-N525 VanDerWaalsContact O-CG 3.24Å; Q521-N525 PolarHBondContact O-N 2.98Å; Q521-N525 PolarHBondContact O-OD1 3.46Å; Q521-L555 HydrophobicContact CB-CD2 4.03Å; Q521-L555 VanDerWaalsContact OE1-CD1 3.23Å
522	Y	91.3	Very high	91.8	Very high	46 Å²	46	38.3 Å²	38.3	18%	0.18	19%	0.19	C	C	.	.	H	α-helix	trans	-60	-49.7	176.3	172.2	-102.9	0	0	0	111.6	L487 V488 L497 R518 L519 V520 L524 N525 Q526	L487-Y522 HydrophobicContact CB-CE1 4.19Å; V488-Y522 HydrophobicContact CG2-CE1 4.29Å; V488-Y522 HydrophobicContact CG2-CE2 3.78Å; V488-Y522 WeakPolarHBondContact CG2-OH 3.44Å; L497-Y522 HydrophobicContact CD1-CE1 3.78Å; R518-Y522 PolarHBondContact O-N 3.39Å; L519-Y522 PolarHBondContact O-N 2.72Å; V520-Y522 VanDerWaalsContact C-N 3.34Å; V520-Y522 PolarHBondContact O-N 3.36Å; Y522-L524 VanDerWaalsContact C-N 3.33Å; Y522-L524 PolarHBondContact O-N 3.01Å; Y522-N525 WeakPolarHBondContact O-CB 2.97Å; Y522-N525 PolarHBondContact O-N 3.49Å; Y522-N525 VanDerWaalsContact O-N 3.14Å; Y522-Q526 HydrophobicContact CD1-CG 4.45Å; Y522-Q526 HydrophobicContact CD2-CG 4.41Å; Y522-Q526 HydrophobicContact CE1-CG 4.03Å; Y522-Q526 HydrophobicContact CE2-CG 3.96Å; Y522-Q526 WeakPolarHBondContact O-CG 3.4Å; Y522-Q526 PolarHBondContact O-N 3.2Å
523	L	91.9	Very high	91.3	Very high	1 Å²	1	41 Å²	41	1%	0.005	20%	0.201	C	C	.	.	H	α-helix	trans	-61.9	-38.9	-179.5	-72.3	169.3	0	0	0	112.6	L487 L497 P507 L508 A511 L519 V520 Q526 G527 A528	L487-L523 HydrophobicContact CD1-CD1 4.43Å; L487-L523 HydrophobicContact CD1-CD2 3.93Å; L487-L523 HydrophobicContact CD1-CG 4.38Å; L497-L523 HydrophobicContact CB-CD2 4.14Å; L497-L523 HydrophobicContact CD1-CD2 4.03Å; P507-L523 HydrophobicContact CB-CD1 3.94Å; P507-L523 HydrophobicContact CB-CD2 3.96Å; L508-L523 HydrophobicContact CB-CD1 4.33Å; L508-L523 HydrophobicContact CD1-CB 4.16Å; L508-L523 HydrophobicContact CD1-CD1 4.48Å; A511-L523 HydrophobicContact CB-CD1 3.93Å; L519-L523 HydrophobicContact CG-CD1 4.12Å; L519-L523 WeakPolarHBondContact O-CB 3.23Å; L519-L523 VanDerWaalsContact O-CG 3.31Å; L519-L523 WeakPolarHBondContact O-CG 3.44Å; L519-L523 PolarHBondContact O-N 2.88Å; V520-L523 PolarHBondContact O-N 3.27Å; L523-Q526 CarbonylContact O-C 3.5Å; L523-Q526 PolarHBondContact O-N 3.03Å; L523-Q526 VanDerWaalsContact O-N 3.17Å; L523-G527 PolarHBondContact O-N 3.37Å; L523-A528 HydrophobicContact CB-CB 4.14Å; L523-A528 WeakPolarHBondContact O-CB 3.08Å; L523-A528 PolarHBondContact O-N 2.88Å
524	L	90.8	Very high	90.8	Very high	5 Å²	5	40.5 Å²	40.5	3%	0.026	20%	0.197	C	C	.	.	H	α-helix	trans	-64.3	-41.5	174.5	-67.3	168.8	0	0	0	111.7	T295 L508 V520 Q521 Y522 Q526 G527 V530 L555 L556 T559	T295-L524 HydrophobicContact CG2-CB 3.93Å; L508-L524 HydrophobicContact CD1-CD2 4.27Å; L508-L524 HydrophobicContact CD1-CG 4.25Å; L508-L524 HydrophobicContact CD2-CD2 3.84Å; V520-L524 HydrophobicContact CG1-CD1 3.84Å; V520-L524 HydrophobicContact CG1-CG 4.42Å; V520-L524 VanDerWaalsContact O-CG 3.23Å; V520-L524 WeakPolarHBondContact O-CG 3.3Å; V520-L524 PolarHBondContact O-N 2.82Å; Q521-L524 PolarHBondContact O-N 2.84Å; Y522-L524 VanDerWaalsContact C-N 3.33Å; Y522-L524 PolarHBondContact O-N 3.01Å; L524-Q526 PolarHBondContact O-N 2.88Å; L524-G527 PolarHBondContact O-N 3.48Å; L524-V530 HydrophobicContact CD2-CG1 3.4Å; L524-L555 HydrophobicContact CD1-CD1 4.44Å; L524-L555 HydrophobicContact CD1-CD2 4.1Å; L524-L555 HydrophobicContact CD1-CG 3.96Å; L524-L556 HydrophobicContact CD1-CD2 4.34Å; L524-L556 HydrophobicContact CD2-CD2 4.39Å; L524-T559 HydrophobicContact CD1-CG2 3.87Å
525	N	87.8	Confident	90.1	Very high	74 Å²	74	44.2 Å²	44.2	40%	0.396	21%	0.207	S	C	.	.	H	α-helix	trans	-64.6	-25	174.4	-68.4	-10.1	0	0	0	112.5	N293 T295 Q521 Y522 G527	N293-N525 WeakPolarHBondContact CB-O 3.03Å; T295-N525 WeakPolarHBondContact CG2-OD1 3.26Å; Q521-N525 PolarHBondContact NE2-OD1 3.24Å; Q521-N525 VanDerWaalsContact NE2-OD1 3.07Å; Q521-N525 VanDerWaalsContact O-CG 3.24Å; Q521-N525 PolarHBondContact O-N 2.98Å; Q521-N525 PolarHBondContact O-OD1 3.46Å; Y522-N525 WeakPolarHBondContact O-CB 2.97Å; Y522-N525 PolarHBondContact O-N 3.49Å; Y522-N525 VanDerWaalsContact O-N 3.14Å; N525-G527 VanDerWaalsContact C-N 3.28Å
526	Q	84.7	Confident	89.5	Confident	57 Å²	57	50.6 Å²	50.6	27%	0.266	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.7	9.7	172.9	-61.8	-58.4	-41.4	0	0	113.6	Y522 L523 L524	Y522-Q526 HydrophobicContact CD1-CG 4.45Å; Y522-Q526 HydrophobicContact CD2-CG 4.41Å; Y522-Q526 HydrophobicContact CE1-CG 4.03Å; Y522-Q526 HydrophobicContact CE2-CG 3.96Å; Y522-Q526 WeakPolarHBondContact O-CG 3.4Å; Y522-Q526 PolarHBondContact O-N 3.2Å; L523-Q526 CarbonylContact O-C 3.5Å; L523-Q526 PolarHBondContact O-N 3.03Å; L523-Q526 VanDerWaalsContact O-N 3.17Å; L524-Q526 PolarHBondContact O-N 2.88Å
527	G	83	Confident	88.7	Confident	5 Å²	5	48.6 Å²	48.6	5%	0.052	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	81	21.9	174.4	0	0	0	0	0	114.9	R291 N293 L523 L524 N525 S529	R291-G527 WeakPolarHBondContact CD-O 3.21Å; N293-G527 WeakPolarHBondContact OD1-CA 3.35Å; N293-G527 PolarHBondContact OD1-N 2.98Å; L523-G527 PolarHBondContact O-N 3.37Å; L524-G527 PolarHBondContact O-N 3.48Å; N525-G527 VanDerWaalsContact C-N 3.28Å; G527-S529 PolarHBondContact O-N 3.18Å
528	A	88.4	Confident	88.4	Confident	12 Å²	12	46.4 Å²	46.4	10%	0.099	21%	0.208	C	C	.	.			trans	-63.9	132.7	173	0	0	0	0	0	111.2	L508 L523	L508-A528 HydrophobicContact CB-CB 4.08Å; L508-A528 HydrophobicContact CD2-CB 3.86Å; L508-A528 HydrophobicContact CG-CB 4.47Å; L523-A528 HydrophobicContact CB-CB 4.14Å; L523-A528 WeakPolarHBondContact O-CB 3.08Å; L523-A528 PolarHBondContact O-N 2.88Å
529	S	89.2	Confident	88.3	Confident	18 Å²	18	36.1 Å²	36.1	13%	0.126	17%	0.171	C	C	.	.			trans	-78.3	125.9	-178.2	179.6	0	0	0	0	111.9	G527 H531 A532	G527-S529 PolarHBondContact O-N 3.18Å; S529-H531 PolarHBondContact O-N 3.04Å; S529-H531 PolarHBondContact OG-N 2.59Å; S529-H531 VanDerWaalsContact OG-N 3.15Å; S529-A532 PolarHBondContact O-N 3.31Å; S529-A532 PolarHBondContact OG-N 3.25Å
530	V	92.8	Very high	88.4	Confident	13 Å²	13	36 Å²	36	8%	0.079	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-11.1	170.8	-62	0	0	0	0	113.8	L508 L524 L556 A561	L508-V530 HydrophobicContact CD2-CG1 4.27Å; L524-V530 HydrophobicContact CD2-CG1 3.4Å; V530-L556 HydrophobicContact CG1-CD2 3.88Å; V530-A561 HydrophobicContact CB-CB 3.9Å; V530-A561 HydrophobicContact CG2-CB 4.15Å
531	H	91.5	Very high	88.4	Confident	20 Å²	20	36 Å²	36	9%	0.093	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.2	0.6	178.9	-54.5	-56	0	0	0	112.7	V238 S529 K533 G560 H562	V238-H531 HydrophobicContact CG1-CB 4.41Å; S529-H531 PolarHBondContact O-N 3.04Å; S529-H531 PolarHBondContact OG-N 2.59Å; S529-H531 VanDerWaalsContact OG-N 3.15Å; H531-K533 PolarHBondContact O-N 2.79Å; H531-G560 PolarHBondContact CE1-O 3.11Å; H531-H562 AromaticContact CE1-CE1 3.3Å; H531-H562 PolarHBondContact CE1-CE1 3.37Å; H531-H562 AromaticContact CE1-ND1 3.6Å; H531-H562 AromaticContact ND1-CE1 3.77Å
532	A	87.9	Confident	88.4	Confident	15 Å²	15	33.4 Å²	33.4	12%	0.124	16%	0.158	C	C	.	.			trans	-57.9	138.6	169.2	0	0	0	0	0	108.8	T506 H509 S529 P540	T506-A532 HydrophobicContact CG2-CB 4.15Å; H509-A532 PolarHBondContact CE1-O 3.31Å; H509-A532 PolarHBondContact NE2-O 3.34Å; S529-A532 PolarHBondContact O-N 3.31Å; S529-A532 PolarHBondContact OG-N 3.25Å; A532-P540 WeakPolarHBondContact O-CD 3.47Å
533	K	85.5	Confident	88.6	Confident	56 Å²	56	31.9 Å²	31.9	24%	0.243	15%	0.153	C	C	.	.			trans	-118.3	136.9	179.3	-64.9	-179.4	-176.3	-180	0	108.4	K140 D178 H531 D538 T539	K140-K533 VanDerWaalsContact NZ-CD 3.33Å; D178-K533 IonicContact OD1-NZ 3.82Å; D178-K533 PolarHBondContact OD1-NZ 2.88Å; D178-K533 IonicContact OD2-NZ 3.35Å; H531-K533 PolarHBondContact O-N 2.79Å; K533-D538 WeakPolarHBondContact CA-O 3.4Å; K533-T539 HydrophobicContact CG-CG2 4.05Å
534	D	85.8	Confident	88.8	Confident	13 Å²	13	31.8 Å²	31.8	7%	0.07	15%	0.153	C	C	.	.			trans	-78.8	-175.9	171	75.3	9.4	0	0	0	111.8	R505 Y536 G537 D538	R505-D534 HydrophobicContact CG-CB 3.71Å; D534-Y536 PolarHBondContact O-N 3.01Å; D534-Y536 VanDerWaalsContact O-N 3.16Å; D534-Y536 WeakPolarHBondContact OD1-CA 3.28Å; D534-Y536 WeakPolarHBondContact OD1-CB 3.42Å; D534-Y536 PolarHBondContact OD1-N 2.73Å; D534-G537 PolarHBondContact O-N 2.92Å; D534-G537 PolarHBondContact OD1-N 3.46Å; D534-G537 VanDerWaalsContact OD1-N 3.16Å; D534-D538 PolarHBondContact N-O 3.46Å; D534-D538 PolarHBondContact OD1-N 3.44Å
535	R	81.4	Confident	89	Confident	160 Å²	160	31.6 Å²	31.6	60%	0.604	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-19.3	179.5	70.9	-179.4	-63.3	168.7	3.5	114.4	D503	D503-R535 HydrophobicContact CB-CG 4.13Å; D503-R535 VanDerWaalsContact O-CB 3.29Å; D503-R535 WeakPolarHBondContact O-CB 3.3Å; D503-R535 WeakPolarHBondContact O-CG 3.49Å; D503-R535 PolarHBondContact O-N 3.23Å; D503-R535 WeakPolarHBondContact OD1-CD 3.35Å; D503-R535 IonicContact OD1-CZ 3.38Å; D503-R535 IonicContact OD1-NE 3.17Å; D503-R535 IonicContact OD1-NH1 2.74Å; D503-R535 PolarHBondContact OD1-NH1 3.04Å
536	Y	81.3	Confident	89.1	Confident	158 Å²	158	35.4 Å²	35.4	62%	0.62	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96	-0.1	177.5	-55.2	-70.8	0	0	0	111.8	D534 D538	D534-Y536 PolarHBondContact O-N 3.01Å; D534-Y536 VanDerWaalsContact O-N 3.16Å; D534-Y536 WeakPolarHBondContact OD1-CA 3.28Å; D534-Y536 WeakPolarHBondContact OD1-CB 3.42Å; D534-Y536 PolarHBondContact OD1-N 2.73Å; Y536-D538 VanDerWaalsContact C-N 3.26Å
537	G	79.3	Confident	89.5	Confident	14 Å²	14	37.9 Å²	37.9	14%	0.144	17%	0.171	C	C	.	.	S	Bend	trans	81.3	4	-176.4	0	0	0	0	0	113.7	D534	D534-G537 PolarHBondContact O-N 2.92Å; D534-G537 PolarHBondContact OD1-N 3.46Å; D534-G537 VanDerWaalsContact OD1-N 3.16Å
538	D	87.3	Confident	90	Very high	22 Å²	22	41 Å²	41	12%	0.118	18%	0.181	C	C	.	.			trans	-76.8	138.8	-179.6	-84.1	-33.3	0	0	0	110.7	H509 K533 D534 Y536 C542 R546	H509-D538 PolarHBondContact NE2-O 3.01Å; K533-D538 WeakPolarHBondContact CA-O 3.4Å; D534-D538 PolarHBondContact N-O 3.46Å; D534-D538 PolarHBondContact OD1-N 3.44Å; Y536-D538 VanDerWaalsContact C-N 3.26Å; D538-C542 HydrophobicContact CB-CB 4.07Å; D538-C542 WeakPolarHBondContact OD1-CB 3.42Å; D538-R546 IonicContact OD2-CZ 2.59Å; D538-R546 IonicContact OD2-NH1 3.61Å; D538-R546 PolarHBondContact OD2-NH1 2.88Å
539	T	93.1	Very high	90.4	Very high	8 Å²	8	42.9 Å²	42.9	5%	0.049	19%	0.188	C	C	.	.			trans	-94.6	167	172.1	67.9	0	0	0	0	109.9	K533 L541 C542 N543	K533-T539 HydrophobicContact CG-CG2 4.05Å; T539-L541 PolarHBondContact O-N 3.43Å; T539-L541 VanDerWaalsContact O-N 3.14Å; T539-L541 PolarHBondContact OG1-N 3.34Å; T539-C542 WeakPolarHBondContact O-CB 3.38Å; T539-C542 PolarHBondContact O-N 2.95Å; T539-C542 PolarHBondContact OG1-N 2.82Å; T539-C542 PolarHBondContact OG1-SG 2.83Å; T539-N543 PolarHBondContact O-N 2.6Å; T539-N543 VanDerWaalsContact O-N 3.15Å
540	P	95.1	Very high	90.7	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-54.5	-32.7	171.7	-26.9	35.8	0	0	0	113.3	L508 A512 A532 N543 A544 L556	L508-P540 HydrophobicContact CB-CG 4.39Å; L508-P540 HydrophobicContact CD2-CB 4.25Å; L508-P540 HydrophobicContact CD2-CG 3.9Å; L508-P540 HydrophobicContact CG-CB 3.92Å; L508-P540 HydrophobicContact CG-CG 3.86Å; A512-P540 HydrophobicContact CB-CB 4.07Å; A512-P540 WeakPolarHBondContact CB-O 3.36Å; A532-P540 WeakPolarHBondContact O-CD 3.47Å; P540-N543 PolarHBondContact O-N 2.8Å; P540-A544 PolarHBondContact O-N 2.8Å; P540-L556 HydrophobicContact CB-CD1 4.16Å; P540-L556 HydrophobicContact CB-CD2 4.42Å
541	L	96.3	Very high	90.8	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-65.7	-42.5	175.8	178.4	65.2	0	0	0	111.6	T539 N543 A544 V545 V553 L556 R557 A561 F563 A593	T539-L541 PolarHBondContact O-N 3.43Å; T539-L541 VanDerWaalsContact O-N 3.14Å; T539-L541 PolarHBondContact OG1-N 3.34Å; L541-N543 VanDerWaalsContact C-N 3.34Å; L541-N543 PolarHBondContact O-N 3.32Å; L541-A544 PolarHBondContact O-N 3.32Å; L541-V545 HydrophobicContact CD1-CG2 4.33Å; L541-V545 WeakPolarHBondContact O-CG2 3.49Å; L541-V545 PolarHBondContact O-N 3.03Å; L541-V553 HydrophobicContact CD1-CB 4.39Å; L541-V553 HydrophobicContact CD1-CG1 3.92Å; L541-V553 HydrophobicContact CD1-CG2 4.41Å; L541-L556 HydrophobicContact CB-CD1 4.36Å; L541-L556 HydrophobicContact CD1-CB 4.18Å; L541-R557 HydrophobicContact CD1-CG 4.09Å; L541-A561 HydrophobicContact CB-CB 4Å; L541-A561 HydrophobicContact CD2-CB 4.01Å; L541-A561 HydrophobicContact CG-CB 4.46Å; L541-F563 HydrophobicContact CD2-CD1 4.44Å; L541-F563 HydrophobicContact CD2-CE1 4.49Å; L541-F563 HydrophobicContact CG-CE1 4.39Å; L541-A593 HydrophobicContact CD1-CB 4.35Å
542	C	92.8	Very high	91.1	Very high	5 Å²	5	47.1 Å²	47.1	3%	0.034	21%	0.207	C	C	.	.	H	α-helix	trans	-60.5	-45.5	177.4	-57.2	0	0	0	0	111.2	D538 T539 V545 R546 Q567	D538-C542 HydrophobicContact CB-CB 4.07Å; D538-C542 WeakPolarHBondContact OD1-CB 3.42Å; T539-C542 WeakPolarHBondContact O-CB 3.38Å; T539-C542 PolarHBondContact O-N 2.95Å; T539-C542 PolarHBondContact OG1-N 2.82Å; T539-C542 PolarHBondContact OG1-SG 2.83Å; C542-V545 PolarHBondContact O-N 2.86Å; C542-R546 WeakPolarHBondContact O-CB 3.3Å; C542-R546 VanDerWaalsContact O-CG 3.26Å; C542-R546 WeakPolarHBondContact O-CG 3.46Å; C542-R546 PolarHBondContact O-N 3.02Å; C542-Q567 PolarHBondContact SG-NE2 3.32Å; C542-Q567 PolarHBondContact SG-OE1 3.03Å; C542-Q567 VanDerWaalsContact SG-OE1 3.42Å
543	N	94	Very high	91.5	Very high	13 Å²	13	46.4 Å²	46.4	7%	0.07	20%	0.201	C	C	.	.	H	α-helix	trans	-60.5	-48.3	175.8	-71.5	-8.4	0	0	0	111.1	C513 T539 P540 L541 V545 R546 F547	C513-N543 HydrophobicContact CB-CB 4.11Å; T539-N543 PolarHBondContact O-N 2.6Å; T539-N543 VanDerWaalsContact O-N 3.15Å; P540-N543 PolarHBondContact O-N 2.8Å; L541-N543 VanDerWaalsContact C-N 3.34Å; L541-N543 PolarHBondContact O-N 3.32Å; N543-V545 VanDerWaalsContact C-N 3.28Å; N543-V545 PolarHBondContact O-N 2.8Å; N543-R546 PolarHBondContact O-N 3.3Å; N543-F547 VanDerWaalsContact O-CD2 3.28Å; N543-F547 WeakPolarHBondContact O-CD2 3.26Å; N543-F547 PolarHBondContact O-N 3.21Å
544	A	96.3	Very high	92	Very high	0 Å²	0	49 Å²	49	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-58.8	-37.8	178.4	0	0	0	0	0	113.1	A512 P540 L541 R548 H549 V552 V553 L556	A512-A544 HydrophobicContact CB-CB 4.27Å; A512-A544 WeakPolarHBondContact O-CA 3.44Å; P540-A544 PolarHBondContact O-N 2.8Å; L541-A544 PolarHBondContact O-N 3.32Å; A544-R548 PolarHBondContact O-N 2.8Å; A544-R548 VanDerWaalsContact O-N 3.17Å; A544-H549 PolarHBondContact O-N 3.42Å; A544-V552 HydrophobicContact CB-CB 4.23Å; A544-V552 HydrophobicContact CB-CG1 3.69Å; A544-V553 HydrophobicContact CB-CG2 3.58Å; A544-L556 HydrophobicContact CB-CD1 4.11Å
545	V	94.5	Very high	92.4	Very high	1 Å²	1	49.2 Å²	49.2	1%	0.006	21%	0.21	C	C	.	.	H	α-helix	trans	-71.8	-46.3	177.8	170.4	0	0	0	0	111.9	L541 C542 N543 F547 R548 V553 F563 I589 W590 A593	L541-V545 HydrophobicContact CD1-CG2 4.33Å; L541-V545 WeakPolarHBondContact O-CG2 3.49Å; L541-V545 PolarHBondContact O-N 3.03Å; C542-V545 PolarHBondContact O-N 2.86Å; N543-V545 VanDerWaalsContact C-N 3.28Å; N543-V545 PolarHBondContact O-N 2.8Å; V545-F547 VanDerWaalsContact C-N 3.27Å; V545-F547 PolarHBondContact O-N 2.94Å; V545-R548 PolarHBondContact O-N 2.81Å; V545-R548 PolarHBondContact O-NH1 3.4Å; V545-R548 VanDerWaalsContact O-NH1 3.08Å; V545-V553 HydrophobicContact CG2-CG1 4.1Å; V545-V553 HydrophobicContact CG2-CG2 3.59Å; V545-F563 HydrophobicContact CB-CZ 4.28Å; V545-F563 HydrophobicContact CG1-CZ 4.21Å; V545-F563 HydrophobicContact CG2-CE1 4.48Å; V545-F563 HydrophobicContact CG2-CZ 3.85Å; V545-I589 HydrophobicContact CB-CG2 4.26Å; V545-I589 HydrophobicContact CG1-CG2 4.13Å; V545-I589 HydrophobicContact CG2-CG2 4.02Å; V545-W590 HydrophobicContact CG1-CD2 3.85Å; V545-W590 HydrophobicContact CG1-CE3 4.42Å; V545-W590 HydrophobicContact CG1-CG 4.17Å; V545-W590 HydrophobicContact CG1-CH2 4.5Å; V545-W590 HydrophobicContact CG1-CZ2 3.9Å; V545-A593 HydrophobicContact CG2-CB 3.55Å
546	R	91.1	Very high	93.1	Very high	153 Å²	153	41.6 Å²	41.6	58%	0.577	18%	0.182	S	C	*	.	H	α-helix	trans	-60.1	-38	178.8	-73.9	176.2	68.2	165.1	5.8	112	D538 C542 N543	D538-R546 IonicContact OD2-CZ 2.59Å; D538-R546 IonicContact OD2-NH1 3.61Å; D538-R546 PolarHBondContact OD2-NH1 2.88Å; C542-R546 WeakPolarHBondContact O-CB 3.3Å; C542-R546 VanDerWaalsContact O-CG 3.26Å; C542-R546 WeakPolarHBondContact O-CG 3.46Å; C542-R546 PolarHBondContact O-N 3.02Å; N543-R546 PolarHBondContact O-N 3.3Å
547	F	93.1	Very high	93.7	Very high	110 Å²	110	37.2 Å²	37.2	48%	0.482	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95	8.9	-179.8	-69.9	-85.7	0	0	0	114.3	C513 N543 V545 H549	C513-F547 HydrophobicContact CB-CD2 4.33Å; C513-F547 WeakPolarHBondContact O-CB 3.48Å; C513-F547 WeakPolarHBondContact O-CG 3.3Å; C513-F547 WeakPolarHBondContact SG-CD2 3.35Å; C513-F547 WeakPolarHBondContact SG-CE2 3.49Å; C513-F547 VanDerWaalsContact SG-CZ 3.58Å; N543-F547 VanDerWaalsContact O-CD2 3.28Å; N543-F547 WeakPolarHBondContact O-CD2 3.26Å; N543-F547 PolarHBondContact O-N 3.21Å; V545-F547 VanDerWaalsContact C-N 3.27Å; V545-F547 PolarHBondContact O-N 2.94Å; F547-H549 PolarHBondContact O-N 2.87Å
548	R	93.5	Very high	94.3	Very high	70 Å²	70	41.5 Å²	41.5	26%	0.264	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.4	35.4	171.9	-55.9	-71	-174.7	-106.9	-2.3	115	A544 V545 K550 E574 D583 I589	A544-R548 PolarHBondContact O-N 2.8Å; A544-R548 VanDerWaalsContact O-N 3.17Å; V545-R548 PolarHBondContact O-N 2.81Å; V545-R548 PolarHBondContact O-NH1 3.4Å; V545-R548 VanDerWaalsContact O-NH1 3.08Å; R548-K550 PolarHBondContact O-N 2.95Å; R548-E574 IonicContact NH2-OE1 2.73Å; R548-E574 PolarHBondContact NH2-OE1 2.84Å; R548-D583 IonicContact NE-OD2 2.88Å; R548-D583 IonicContact NH2-OD2 3.83Å; R548-I589 HydrophobicContact CB-CD1 3.97Å
549	H	96.4	Very high	94.5	Very high	51 Å²	51	41 Å²	41	24%	0.236	18%	0.176	C	C	.	.			trans	-93.5	75.7	178.7	-62.4	-54.3	0	0	0	112.7	A512 C513 E514 G515 A544 F547 D551 V552 V553	A512-H549 PolarHBondContact O-CD2 3.03Å; A512-H549 VanDerWaalsContact O-CD2 3.26Å; C513-H549 PolarHBondContact O-CD2 3.02Å; C513-H549 PolarHBondContact O-NE2 2.69Å; E514-H549 VanDerWaalsContact C-NE2 3.32Å; G515-H549 WeakPolarHBondContact CA-ND1 2.95Å; G515-H549 PolarHBondContact N-CD2 2.86Å; G515-H549 PolarHBondContact N-NE2 3.49Å; A544-H549 PolarHBondContact O-N 3.42Å; F547-H549 PolarHBondContact O-N 2.87Å; H549-D551 PolarHBondContact O-N 3.25Å; H549-V552 HydrophobicContact CB-CB 4.04Å; H549-V552 HydrophobicContact CB-CG2 4.2Å; H549-V552 WeakPolarHBondContact O-CB 3.49Å; H549-V552 PolarHBondContact O-N 2.96Å; H549-V552 VanDerWaalsContact O-N 3.13Å; H549-V553 WeakPolarHBondContact O-CG2 3.5Å; H549-V553 PolarHBondContact O-N 3.23Å
550	K	95.4	Very high	94.3	Very high	50 Å²	50	40.8 Å²	40.8	22%	0.217	18%	0.176	C	C	.	.	H	α-helix	trans	-51.7	-44.3	-173	-174	169.6	167.4	177.1	0	115.4	R548 V553 R554 D588 I589 I592	R548-K550 PolarHBondContact O-N 2.95Å; K550-V553 WeakPolarHBondContact O-CB 3.43Å; K550-V553 PolarHBondContact O-N 3.07Å; K550-R554 WeakPolarHBondContact O-CG 3.36Å; K550-R554 PolarHBondContact O-N 3.33Å; K550-D588 WeakPolarHBondContact CE-OD2 3.25Å; K550-D588 IonicContact NZ-OD2 3.87Å; K550-D588 PolarHBondContact NZ-OD2 3.41Å; K550-I589 HydrophobicContact CB-CD1 4.02Å; K550-I589 HydrophobicContact CB-CG1 3.82Å; K550-I589 HydrophobicContact CD-CG1 4.26Å; K550-I589 HydrophobicContact CG-CG1 4.01Å; K550-I592 HydrophobicContact CD-CD1 4.32Å; K550-I592 HydrophobicContact CG-CD1 3.98Å
551	D	95.9	Very high	94.2	Very high	87 Å²	87	40.9 Å²	40.9	47%	0.465	18%	0.176	S	C	.	.	H	α-helix	trans	-71.6	-34.3	-178.5	-65.5	-36.1	0	0	0	112.7	L517 H549 R554 L555	L517-D551 HydrophobicContact CD1-CB 4.36Å; L517-D551 HydrophobicContact CD2-CB 4.11Å; H549-D551 PolarHBondContact O-N 3.25Å; D551-R554 PolarHBondContact O-N 3.04Å; D551-R554 IonicContact OD1-CZ 2.83Å; D551-R554 IonicContact OD1-NH1 3.82Å; D551-R554 PolarHBondContact OD1-NH1 2.57Å; D551-L555 PolarHBondContact O-N 3.19Å
552	V	96.9	Very high	94	Very high	3 Å²	3	41.5 Å²	41.5	2%	0.018	18%	0.179	C	C	.	.	H	α-helix	trans	-65.3	-42.6	171.8	173.6	0	0	0	0	110.4	A512 L517 V520 A544 H549 R554 L555 L556	A512-V552 HydrophobicContact CB-CG1 3.98Å; L517-V552 HydrophobicContact CB-CG2 4.34Å; L517-V552 HydrophobicContact CD1-CG2 4.24Å; V520-V552 HydrophobicContact CG1-CG1 4.3Å; V520-V552 HydrophobicContact CG2-CG1 4.02Å; V520-V552 HydrophobicContact CG2-CG2 4.28Å; A544-V552 HydrophobicContact CB-CB 4.23Å; A544-V552 HydrophobicContact CB-CG1 3.69Å; H549-V552 HydrophobicContact CB-CB 4.04Å; H549-V552 HydrophobicContact CB-CG2 4.2Å; H549-V552 WeakPolarHBondContact O-CB 3.49Å; H549-V552 PolarHBondContact O-N 2.96Å; H549-V552 VanDerWaalsContact O-N 3.13Å; V552-R554 VanDerWaalsContact C-N 3.33Å; V552-R554 PolarHBondContact O-N 2.83Å; V552-L555 PolarHBondContact O-N 3.26Å; V552-L556 HydrophobicContact CG1-CD1 3.73Å; V552-L556 HydrophobicContact CG1-CG 4.17Å; V552-L556 WeakPolarHBondContact O-CB 3.48Å; V552-L556 WeakPolarHBondContact O-CG 3.26Å; V552-L556 PolarHBondContact O-N 3.25Å
553	V	96.9	Very high	93.8	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-58.1	-45.6	175.7	171.8	0	0	0	0	111.1	L541 A544 V545 H549 K550 L555 L556 R557 I589 I592 A593	L541-V553 HydrophobicContact CD1-CB 4.39Å; L541-V553 HydrophobicContact CD1-CG1 3.92Å; L541-V553 HydrophobicContact CD1-CG2 4.41Å; A544-V553 HydrophobicContact CB-CG2 3.58Å; V545-V553 HydrophobicContact CG2-CG1 4.1Å; V545-V553 HydrophobicContact CG2-CG2 3.59Å; H549-V553 WeakPolarHBondContact O-CG2 3.5Å; H549-V553 PolarHBondContact O-N 3.23Å; K550-V553 WeakPolarHBondContact O-CB 3.43Å; K550-V553 PolarHBondContact O-N 3.07Å; V553-L555 PolarHBondContact O-N 3.11Å; V553-L556 PolarHBondContact O-N 2.99Å; V553-R557 HydrophobicContact CG1-CG 4.43Å; V553-R557 WeakPolarHBondContact O-CB 3.48Å; V553-R557 VanDerWaalsContact O-CG 3.25Å; V553-R557 WeakPolarHBondContact O-CG 3.45Å; V553-R557 PolarHBondContact O-N 2.89Å; V553-I589 HydrophobicContact CG2-CG2 4.03Å; V553-I592 HydrophobicContact CG1-CB 4.38Å; V553-I592 HydrophobicContact CG1-CG2 3.94Å; V553-A593 HydrophobicContact CG1-CB 3.76Å
554	R	95.3	Very high	93.2	Very high	112 Å²	112	42.1 Å²	42.1	42%	0.423	18%	0.183	S	C	.	.	H	α-helix	trans	-58.8	-46.8	175.6	-71.3	172.2	176.6	154.9	-15.4	112	K550 D551 V552 R557 K558 I592	K550-R554 WeakPolarHBondContact O-CG 3.36Å; K550-R554 PolarHBondContact O-N 3.33Å; D551-R554 PolarHBondContact O-N 3.04Å; D551-R554 IonicContact OD1-CZ 2.83Å; D551-R554 IonicContact OD1-NH1 3.82Å; D551-R554 PolarHBondContact OD1-NH1 2.57Å; V552-R554 VanDerWaalsContact C-N 3.33Å; V552-R554 PolarHBondContact O-N 2.83Å; R554-R557 PolarHBondContact O-N 2.85Å; R554-K558 WeakPolarHBondContact O-CB 3.35Å; R554-K558 PolarHBondContact O-N 2.97Å; R554-I592 HydrophobicContact CB-CG2 4.43Å; R554-I592 HydrophobicContact CG-CD1 4.35Å; R554-I592 HydrophobicContact CG-CG2 3.57Å
555	L	94.7	Very high	92.3	Very high	17 Å²	17	46.1 Å²	46.1	9%	0.089	20%	0.198	C	C	.	.	H	α-helix	trans	-62.1	-49.9	179.8	177.2	56.9	0	0	0	111.2	L517 V520 Q521 L524 D551 V552 V553 R557 K558 T559	L517-L555 HydrophobicContact CD1-CB 4.16Å; L517-L555 HydrophobicContact CD1-CD2 3.75Å; V520-L555 HydrophobicContact CB-CD2 4.41Å; V520-L555 HydrophobicContact CG1-CD2 3.8Å; V520-L555 HydrophobicContact CG1-CG 4.48Å; Q521-L555 HydrophobicContact CB-CD2 4.03Å; Q521-L555 VanDerWaalsContact OE1-CD1 3.23Å; L524-L555 HydrophobicContact CD1-CD1 4.44Å; L524-L555 HydrophobicContact CD1-CD2 4.1Å; L524-L555 HydrophobicContact CD1-CG 3.96Å; D551-L555 PolarHBondContact O-N 3.19Å; V552-L555 PolarHBondContact O-N 3.26Å; V553-L555 PolarHBondContact O-N 3.11Å; L555-R557 VanDerWaalsContact C-N 3.33Å; L555-R557 PolarHBondContact O-N 2.98Å; L555-K558 WeakPolarHBondContact O-CB 3.33Å; L555-K558 PolarHBondContact O-N 3.05Å; L555-K558 VanDerWaalsContact O-N 3.15Å; L555-T559 HydrophobicContact CD1-CG2 4.26Å; L555-T559 WeakPolarHBondContact O-CG2 3.44Å; L555-T559 PolarHBondContact O-N 3.16Å; L555-T559 PolarHBondContact O-OG1 2.99Å
556	L	95.4	Very high	91.4	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-61.3	-39.9	179.5	-69.9	173	0	0	0	112.2	L508 A512 V520 L524 V530 P540 L541 A544 V552 V553 T559 G560 A561	L508-L556 HydrophobicContact CD1-CD2 4.44Å; A512-L556 HydrophobicContact CB-CD1 4.22Å; V520-L556 HydrophobicContact CG1-CD2 4.2Å; V520-L556 HydrophobicContact CG1-CG 4.49Å; L524-L556 HydrophobicContact CD1-CD2 4.34Å; L524-L556 HydrophobicContact CD2-CD2 4.39Å; V530-L556 HydrophobicContact CG1-CD2 3.88Å; P540-L556 HydrophobicContact CB-CD1 4.16Å; P540-L556 HydrophobicContact CB-CD2 4.42Å; L541-L556 HydrophobicContact CB-CD1 4.36Å; L541-L556 HydrophobicContact CD1-CB 4.18Å; A544-L556 HydrophobicContact CB-CD1 4.11Å; V552-L556 HydrophobicContact CG1-CD1 3.73Å; V552-L556 HydrophobicContact CG1-CG 4.17Å; V552-L556 WeakPolarHBondContact O-CB 3.48Å; V552-L556 WeakPolarHBondContact O-CG 3.26Å; V552-L556 PolarHBondContact O-N 3.25Å; V553-L556 PolarHBondContact O-N 2.99Å; L556-T559 WeakPolarHBondContact CA-OG1 3.44Å; L556-T559 CarbonylContact O-C 3.55Å; L556-T559 PolarHBondContact O-N 2.81Å; L556-T559 PolarHBondContact O-OG1 2.73Å; L556-G560 PolarHBondContact O-N 3.49Å; L556-A561 HydrophobicContact CB-CB 3.89Å; L556-A561 WeakPolarHBondContact O-CB 3.49Å; L556-A561 PolarHBondContact O-N 3.3Å
557	R	94.3	Very high	91	Very high	65 Å²	65	41.7 Å²	41.7	25%	0.245	18%	0.184	C	C	.	.	H	α-helix	trans	-64.4	-41.3	174.7	-73.3	-70.7	-67.1	159.7	-8.8	112.2	L541 V553 R554 L555 T559 G560 A561 I592 A593	L541-R557 HydrophobicContact CD1-CG 4.09Å; V553-R557 HydrophobicContact CG1-CG 4.43Å; V553-R557 WeakPolarHBondContact O-CB 3.48Å; V553-R557 VanDerWaalsContact O-CG 3.25Å; V553-R557 WeakPolarHBondContact O-CG 3.45Å; V553-R557 PolarHBondContact O-N 2.89Å; R554-R557 PolarHBondContact O-N 2.85Å; L555-R557 VanDerWaalsContact C-N 3.33Å; L555-R557 PolarHBondContact O-N 2.98Å; R557-T559 PolarHBondContact O-N 3.46Å; R557-G560 PolarHBondContact O-N 3.46Å; R557-A561 VanDerWaalsContact CD-O 3.28Å; R557-A561 WeakPolarHBondContact CD-O 3.48Å; R557-A561 PolarHBondContact NH1-O 3.18Å; R557-I592 WeakPolarHBondContact CG-O 3.05Å; R557-I592 PolarHBondContact NE-O 3Å; R557-A593 VanDerWaalsContact CD-O 3.27Å; R557-A593 WeakPolarHBondContact CD-O 3.44Å; R557-A593 PolarHBondContact NE-O 2.86Å
558	K	92.6	Very high	90.5	Very high	105 Å²	105	39.4 Å²	39.4	46%	0.457	18%	0.177	S	C	.	.	H	α-helix	trans	-60.4	-34.7	174.9	-173.4	176.8	179.7	178.4	0	111.5	R554 L555 G560 I637	R554-K558 WeakPolarHBondContact O-CB 3.35Å; R554-K558 PolarHBondContact O-N 2.97Å; L555-K558 WeakPolarHBondContact O-CB 3.33Å; L555-K558 PolarHBondContact O-N 3.05Å; L555-K558 VanDerWaalsContact O-N 3.15Å; K558-G560 PolarHBondContact O-N 2.89Å; K558-I637 PolarHBondContact NZ-O 3.5Å
559	T	90.2	Very high	89.7	Confident	11 Å²	11	38 Å²	38	7%	0.067	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	12.4	176.3	65.9	0	0	0	0	114.1	T295 L524 L555 L556 R557	T295-T559 HydrophobicContact CG2-CG2 3.99Å; T295-T559 WeakPolarHBondContact O-CA 3.46Å; T295-T559 VanDerWaalsContact O-CG2 3.28Å; T295-T559 WeakPolarHBondContact O-CG2 3.29Å; L524-T559 HydrophobicContact CD1-CG2 3.87Å; L555-T559 HydrophobicContact CD1-CG2 4.26Å; L555-T559 WeakPolarHBondContact O-CG2 3.44Å; L555-T559 PolarHBondContact O-N 3.16Å; L555-T559 PolarHBondContact O-OG1 2.99Å; L556-T559 WeakPolarHBondContact CA-OG1 3.44Å; L556-T559 CarbonylContact O-C 3.55Å; L556-T559 PolarHBondContact O-N 2.81Å; L556-T559 PolarHBondContact O-OG1 2.73Å; R557-T559 PolarHBondContact O-N 3.46Å
560	G	90.3	Very high	88.9	Confident	4 Å²	4	41.3 Å²	41.3	4%	0.041	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	89.6	3.5	173.6	0	0	0	0	0	116.2	H531 L556 R557 K558 H562	H531-G560 PolarHBondContact CE1-O 3.11Å; L556-G560 PolarHBondContact O-N 3.49Å; R557-G560 PolarHBondContact O-N 3.46Å; K558-G560 PolarHBondContact O-N 2.89Å; G560-H562 PolarHBondContact O-ND1 3.07Å
561	A	92.3	Very high	88.5	Confident	1 Å²	1	39 Å²	39	1%	0.008	18%	0.179	C	C	.	.			trans	-59.5	143.9	171.7	0	0	0	0	0	110.2	V530 L541 L556 R557	V530-A561 HydrophobicContact CB-CB 3.9Å; V530-A561 HydrophobicContact CG2-CB 4.15Å; L541-A561 HydrophobicContact CB-CB 4Å; L541-A561 HydrophobicContact CD2-CB 4.01Å; L541-A561 HydrophobicContact CG-CB 4.46Å; L556-A561 HydrophobicContact CB-CB 3.89Å; L556-A561 WeakPolarHBondContact O-CB 3.49Å; L556-A561 PolarHBondContact O-N 3.3Å; R557-A561 VanDerWaalsContact CD-O 3.28Å; R557-A561 WeakPolarHBondContact CD-O 3.48Å; R557-A561 PolarHBondContact NH1-O 3.18Å
562	H	91.7	Very high	88.1	Confident	13 Å²	13	34.9 Å²	34.9	6%	0.06	16%	0.157	C	C	.	.			trans	-153.7	158.4	179	52	-87.6	0	0	0	109.3	E175 K205 H531 G560	E175-H562 HydrophobicContact CG-CB 4.49Å; E175-H562 PolarHBondContact O-CD2 2.9Å; K205-H562 PolarHBondContact NZ-CE1 2.92Å; K205-H562 VanDerWaalsContact NZ-CE1 3.33Å; K205-H562 PolarHBondContact NZ-NE2 3.1Å; H531-H562 AromaticContact CE1-CE1 3.3Å; H531-H562 PolarHBondContact CE1-CE1 3.37Å; H531-H562 AromaticContact CE1-ND1 3.6Å; H531-H562 AromaticContact ND1-CE1 3.77Å; G560-H562 PolarHBondContact O-ND1 3.07Å
563	F	88.9	Confident	87.8	Confident	10 Å²	10	36.9 Å²	36.9	4%	0.044	17%	0.171	C	C	.	.			trans	-73	149	172.9	-71.1	-53.6	0	0	0	111.5	L541 V545 Q567 L568 W590 A593	L541-F563 HydrophobicContact CD2-CD1 4.44Å; L541-F563 HydrophobicContact CD2-CE1 4.49Å; L541-F563 HydrophobicContact CG-CE1 4.39Å; V545-F563 HydrophobicContact CB-CZ 4.28Å; V545-F563 HydrophobicContact CG1-CZ 4.21Å; V545-F563 HydrophobicContact CG2-CE1 4.48Å; V545-F563 HydrophobicContact CG2-CZ 3.85Å; F563-Q567 HydrophobicContact CB-CB 3.98Å; F563-Q567 HydrophobicContact CD1-CB 4.02Å; F563-Q567 HydrophobicContact CG-CB 4.26Å; F563-L568 HydrophobicContact CB-CD1 4.44Å; F563-L568 HydrophobicContact CB-CD2 3.86Å; F563-L568 HydrophobicContact CB-CG 3.76Å; F563-L568 HydrophobicContact CD2-CD2 3.84Å; F563-L568 HydrophobicContact CG-CD2 4.29Å; F563-W590 HydrophobicContact CE1-CZ3 4.38Å; F563-W590 AromaticContact CE2-CE3 3.82Å; F563-W590 HydrophobicContact CE2-CE3 3.82Å; F563-W590 AromaticContact CE2-CZ3 3.82Å; F563-W590 HydrophobicContact CE2-CZ3 3.82Å; F563-W590 AromaticContact CZ-CE3 3.92Å; F563-W590 HydrophobicContact CZ-CE3 3.92Å; F563-W590 HydrophobicContact CZ-CH2 4.33Å; F563-W590 AromaticContact CZ-CZ3 3.7Å; F563-W590 HydrophobicContact CZ-CZ3 3.7Å; F563-A593 HydrophobicContact CD2-CB 4.32Å; F563-A593 HydrophobicContact CE2-CB 3.34Å; F563-A593 HydrophobicContact CZ-CB 3.62Å
564	S	82.2	Confident	87.5	Confident	21 Å²	21	40.1 Å²	40.1	15%	0.147	19%	0.186	C	C	.	.			trans	-67.2	162.6	163.7	72.8	0	0	0	0	110.3	E566 Q567 L568	S564-E566 VanDerWaalsContact C-N 3.26Å; S564-E566 PolarHBondContact O-N 3.06Å; S564-Q567 PolarHBondContact O-N 2.69Å; S564-Q567 WeakPolarHBondContact OG-CG 3.31Å; S564-Q567 PolarHBondContact OG-N 3.4Å; S564-Q567 PolarHBondContact OG-OE1 2.68Å; S564-L568 WeakPolarHBondContact O-CG 3.38Å; S564-L568 PolarHBondContact O-N 3.14Å; S564-L568 VanDerWaalsContact O-N 3.07Å
565	R	77.5	Confident	87.3	Confident	84 Å²	84	34.8 Å²	34.8	32%	0.317	17%	0.166	S	C	.	.	H	α-helix	trans	-56.3	-42.2	174.5	177.8	175.2	169	176.3	-7	112.2	Y112 Q567 L568 E569	Y112-R565 PolarHBondContact O-NH2 3.43Å; R565-Q567 PolarHBondContact O-N 3.34Å; R565-L568 CarbonylContact O-C 3.58Å; R565-L568 WeakPolarHBondContact O-CB 3.41Å; R565-L568 PolarHBondContact O-N 3.26Å; R565-E569 HydrophobicContact CG-CG 4.49Å; R565-E569 IonicContact CZ-OE1 2.88Å; R565-E569 IonicContact NE-OE1 3.03Å; R565-E569 PolarHBondContact NE-OE1 3.26Å; R565-E569 IonicContact NH2-OE1 2.72Å; R565-E569 PolarHBondContact NH2-OE1 3.31Å; R565-E569 WeakPolarHBondContact O-CG 3.21Å; R565-E569 PolarHBondContact O-N 2.88Å
566	E	75.4	Confident	87.2	Confident	30 Å²	30	34.6 Å²	34.6	14%	0.14	17%	0.166	C	C	.	.	H	α-helix	trans	-61.2	-44.8	178.6	-66.5	156.5	-149.4	0	0	111.4	P57 S564 L568 E569 E570	P57-E566 HydrophobicContact CB-CG 3.87Å; P57-E566 VanDerWaalsContact O-OE2 3.12Å; S564-E566 VanDerWaalsContact C-N 3.26Å; S564-E566 PolarHBondContact O-N 3.06Å; E566-L568 VanDerWaalsContact C-N 3.26Å; E566-L568 PolarHBondContact O-N 3.35Å; E566-E569 WeakPolarHBondContact O-CA 3.33Å; E566-E569 WeakPolarHBondContact O-CB 3.39Å; E566-E569 PolarHBondContact O-N 3.34Å; E566-E570 PolarHBondContact O-N 3.46Å
567	Q	82.8	Confident	87	Confident	31 Å²	31	37.9 Å²	37.9	15%	0.145	19%	0.189	C	C	.	.	H	α-helix	trans	-62.8	-35.3	177.1	-72.9	163.8	-15.2	0	0	111.7	C542 F563 S564 R565 A571	C542-Q567 PolarHBondContact SG-NE2 3.32Å; C542-Q567 PolarHBondContact SG-OE1 3.03Å; C542-Q567 VanDerWaalsContact SG-OE1 3.42Å; F563-Q567 HydrophobicContact CB-CB 3.98Å; F563-Q567 HydrophobicContact CD1-CB 4.02Å; F563-Q567 HydrophobicContact CG-CB 4.26Å; S564-Q567 PolarHBondContact O-N 2.69Å; S564-Q567 WeakPolarHBondContact OG-CG 3.31Å; S564-Q567 PolarHBondContact OG-N 3.4Å; S564-Q567 PolarHBondContact OG-OE1 2.68Å; R565-Q567 PolarHBondContact O-N 3.34Å; Q567-A571 WeakPolarHBondContact O-CB 3.34Å; Q567-A571 PolarHBondContact O-N 3.21Å
568	L	81.8	Confident	86.9	Confident	62 Å²	62	35 Å²	35	33%	0.325	18%	0.178	S	C	.	.	H	α-helix	trans	-72.7	-30.3	173.4	-67.6	172.4	0	0	0	112.8	F563 S564 R565 E566 A571 A595	F563-L568 HydrophobicContact CB-CD1 4.44Å; F563-L568 HydrophobicContact CB-CD2 3.86Å; F563-L568 HydrophobicContact CB-CG 3.76Å; F563-L568 HydrophobicContact CD2-CD2 3.84Å; F563-L568 HydrophobicContact CG-CD2 4.29Å; S564-L568 WeakPolarHBondContact O-CG 3.38Å; S564-L568 PolarHBondContact O-N 3.14Å; S564-L568 VanDerWaalsContact O-N 3.07Å; R565-L568 CarbonylContact O-C 3.58Å; R565-L568 WeakPolarHBondContact O-CB 3.41Å; R565-L568 PolarHBondContact O-N 3.26Å; E566-L568 VanDerWaalsContact C-N 3.26Å; E566-L568 PolarHBondContact O-N 3.35Å; L568-A571 WeakPolarHBondContact O-CB 3.46Å; L568-A595 HydrophobicContact CD2-CB 4.45Å
569	E	77.2	Confident	86.9	Confident	42 Å²	42	30 Å²	30	20%	0.196	16%	0.157	C	C	.	.	H	α-helix	trans	-69	-41.8	174	-80.4	164.3	172.7	0	0	111	Y112 R565 E566 A571	Y112-E569 VanDerWaalsContact OH-CD 3.23Å; Y112-E569 PolarHBondContact OH-OE1 3.41Å; Y112-E569 PolarHBondContact OH-OE2 3.25Å; R565-E569 HydrophobicContact CG-CG 4.49Å; R565-E569 IonicContact CZ-OE1 2.88Å; R565-E569 IonicContact NE-OE1 3.03Å; R565-E569 PolarHBondContact NE-OE1 3.26Å; R565-E569 IonicContact NH2-OE1 2.72Å; R565-E569 PolarHBondContact NH2-OE1 3.31Å; R565-E569 WeakPolarHBondContact O-CG 3.21Å; R565-E569 PolarHBondContact O-N 2.88Å; E566-E569 WeakPolarHBondContact O-CA 3.33Å; E566-E569 WeakPolarHBondContact O-CB 3.39Å; E566-E569 PolarHBondContact O-N 3.34Å; E569-A571 VanDerWaalsContact C-N 3.35Å
570	E	80	Confident	87	Confident	120 Å²	120	31.8 Å²	31.8	56%	0.561	17%	0.172	S	C	*	.	H	α-helix	trans	-74.8	-22.9	175.3	-67.3	-176.8	177.5	0	0	113.3	E566 G572 S573	E566-E570 PolarHBondContact O-N 3.46Å; E570-G572 PolarHBondContact O-N 3.19Å; E570-G572 VanDerWaalsContact O-N 3.15Å; E570-S573 PolarHBondContact O-N 3.45Å
571	A	86.4	Confident	87.1	Confident	1 Å²	1	35.5 Å²	35.5	1%	0.008	20%	0.197	C	C	.	.	H	α-helix	trans	-55.2	-35.8	-178.1	0	0	0	0	0	113	Q567 L568 E569 S573 E574 L575 W590 A595	Q567-A571 WeakPolarHBondContact O-CB 3.34Å; Q567-A571 PolarHBondContact O-N 3.21Å; L568-A571 WeakPolarHBondContact O-CB 3.46Å; E569-A571 VanDerWaalsContact C-N 3.35Å; A571-S573 VanDerWaalsContact C-N 3.31Å; A571-S573 PolarHBondContact O-N 3.35Å; A571-E574 PolarHBondContact O-N 2.8Å; A571-L575 WeakPolarHBondContact O-CB 3.36Å; A571-L575 WeakPolarHBondContact O-CG 3.29Å; A571-L575 PolarHBondContact O-N 2.86Å; A571-W590 HydrophobicContact CB-CE3 3.94Å; A571-W590 HydrophobicContact CB-CH2 4.35Å; A571-W590 HydrophobicContact CB-CZ3 3.57Å; A571-A595 HydrophobicContact CB-CB 4.26Å
572	G	88	Confident	87.1	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-57.6	-41.9	-179	0	0	0	0	0	113	E570 L575 C576	E570-G572 PolarHBondContact O-N 3.19Å; E570-G572 VanDerWaalsContact O-N 3.15Å; G572-L575 PolarHBondContact O-N 2.93Å; G572-C576 WeakPolarHBondContact O-CB 3.18Å; G572-C576 PolarHBondContact O-N 3.41Å; G572-C576 PolarHBondContact O-SG 2.81Å
573	S	89.9	Confident	87.1	Confident	45 Å²	45	38.3 Å²	38.3	32%	0.315	22%	0.219	S	C	.	.	H	α-helix	trans	-68	-42	178.9	-61.3	0	0	0	0	111.9	E570 A571 C576 S577 Y602	E570-S573 PolarHBondContact O-N 3.45Å; A571-S573 VanDerWaalsContact C-N 3.31Å; A571-S573 PolarHBondContact O-N 3.35Å; S573-C576 PolarHBondContact O-N 2.75Å; S573-S577 PolarHBondContact O-N 2.72Å; S573-Y602 PolarHBondContact OG-N 2.97Å
574	E	90.4	Very high	87.2	Confident	69 Å²	69	42 Å²	42	32%	0.322	24%	0.235	S	C	.	.	H	α-helix	trans	-65.9	-43.3	175.7	-179.5	66.2	-172.1	0	0	111.1	R548 A571 C576 S577 L578 W590	R548-E574 IonicContact NH2-OE1 2.73Å; R548-E574 PolarHBondContact NH2-OE1 2.84Å; A571-E574 PolarHBondContact O-N 2.8Å; E574-C576 VanDerWaalsContact C-N 3.32Å; E574-C576 PolarHBondContact O-N 3.15Å; E574-S577 WeakPolarHBondContact O-CB 3.13Å; E574-S577 PolarHBondContact O-N 3.05Å; E574-S577 VanDerWaalsContact O-N 3.15Å; E574-L578 HydrophobicContact CG-CD1 4.09Å; E574-L578 HydrophobicContact CG-CG 4.47Å; E574-L578 VanDerWaalsContact O-CG 3.27Å; E574-L578 WeakPolarHBondContact O-CG 3.44Å; E574-L578 PolarHBondContact O-N 2.89Å; E574-W590 HydrophobicContact CB-CZ2 4.08Å; E574-W590 HydrophobicContact CG-CZ2 3.58Å
575	L	91.8	Very high	87.7	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-58.8	-42.3	175.7	-70.7	170.7	0	0	0	111.9	A571 G572 L578 A579 L587 W590 D596 L597 A607	A571-L575 WeakPolarHBondContact O-CB 3.36Å; A571-L575 WeakPolarHBondContact O-CG 3.29Å; A571-L575 PolarHBondContact O-N 2.86Å; G572-L575 PolarHBondContact O-N 2.93Å; L575-L578 PolarHBondContact O-N 3.09Å; L575-A579 VanDerWaalsContact O-CB 3.28Å; L575-A579 WeakPolarHBondContact O-CB 3.39Å; L575-A579 PolarHBondContact O-N 2.95Å; L575-L587 HydrophobicContact CB-CD2 4.36Å; L575-L587 HydrophobicContact CD2-CD2 3.69Å; L575-W590 HydrophobicContact CD2-CB 3.67Å; L575-W590 HydrophobicContact CD2-CG 4.09Å; L575-D596 WeakPolarHBondContact CD1-O 3.47Å; L575-L597 HydrophobicContact CD1-CD2 4.25Å; L575-L597 HydrophobicContact CD2-CD2 3.59Å; L575-A607 HydrophobicContact CB-CB 4.1Å
576	C	91.6	Very high	88.3	Confident	13 Å²	13	42.4 Å²	42.4	9%	0.088	24%	0.239	C	C	.	.	H	α-helix	trans	-63.5	-42.1	174.9	-69.6	0	0	0	0	112.2	G572 S573 E574 A579 A580 K605 V610	G572-C576 WeakPolarHBondContact O-CB 3.18Å; G572-C576 PolarHBondContact O-N 3.41Å; G572-C576 PolarHBondContact O-SG 2.81Å; S573-C576 PolarHBondContact O-N 2.75Å; E574-C576 VanDerWaalsContact C-N 3.32Å; E574-C576 PolarHBondContact O-N 3.15Å; C576-A579 PolarHBondContact O-N 3.16Å; C576-A580 WeakPolarHBondContact O-CB 3.28Å; C576-A580 PolarHBondContact O-N 3.04Å; C576-K605 PolarHBondContact SG-O 3.26Å; C576-K605 VanDerWaalsContact SG-O 3.33Å; C576-V610 HydrophobicContact CB-CB 4.49Å; C576-V610 HydrophobicContact CB-CG2 4.06Å; C576-V610 WeakPolarHBondContact O-CG1 3.42Å
577	S	91.4	Very high	89.1	Confident	68 Å²	68	41 Å²	41	48%	0.476	23%	0.232	S	C	.	.	H	α-helix	trans	-62	-42.3	175.7	-177.7	0	0	0	0	112.2	S573 E574 A580 S581	S573-S577 PolarHBondContact O-N 2.72Å; E574-S577 WeakPolarHBondContact O-CB 3.13Å; E574-S577 PolarHBondContact O-N 3.05Å; E574-S577 VanDerWaalsContact O-N 3.15Å; S577-A580 PolarHBondContact O-N 2.96Å; S577-S581 PolarHBondContact O-N 2.85Å; S577-S581 PolarHBondContact O-OG 2.95Å
578	L	92.8	Very high	89.5	Confident	6 Å²	6	40 Å²	40	3%	0.031	23%	0.228	C	C	.	.	H	α-helix	trans	-66.3	-41.2	176	-64.6	170.8	0	0	0	111.9	E574 L575 S581 G582 D583 L587 W590	E574-L578 HydrophobicContact CG-CD1 4.09Å; E574-L578 HydrophobicContact CG-CG 4.47Å; E574-L578 VanDerWaalsContact O-CG 3.27Å; E574-L578 WeakPolarHBondContact O-CG 3.44Å; E574-L578 PolarHBondContact O-N 2.89Å; L575-L578 PolarHBondContact O-N 3.09Å; L578-S581 WeakPolarHBondContact CA-OG 3.32Å; L578-S581 PolarHBondContact O-N 2.71Å; L578-S581 PolarHBondContact O-OG 3.36Å; L578-S581 VanDerWaalsContact O-OG 3.07Å; L578-G582 PolarHBondContact O-N 3.21Å; L578-D583 HydrophobicContact CB-CB 4.31Å; L578-D583 HydrophobicContact CD2-CB 3.87Å; L578-D583 WeakPolarHBondContact CD2-OD2 3.27Å; L578-D583 PolarHBondContact O-N 3.45Å; L578-L587 HydrophobicContact CB-CD2 3.92Å; L578-L587 HydrophobicContact CB-CG 3.96Å; L578-W590 VanDerWaalsContact CD1-CD1 3.45Å
579	A	92.8	Very high	90.1	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-63.7	-40.4	175.7	0	0	0	0	0	112.9	L575 C576 S581 G582 A607 A611 N616 V619	L575-A579 VanDerWaalsContact O-CB 3.28Å; L575-A579 WeakPolarHBondContact O-CB 3.39Å; L575-A579 PolarHBondContact O-N 2.95Å; C576-A579 PolarHBondContact O-N 3.16Å; A579-S581 VanDerWaalsContact C-N 3.34Å; A579-G582 PolarHBondContact O-N 3.22Å; A579-A607 HydrophobicContact CB-CB 4Å; A579-A607 WeakPolarHBondContact CB-O 3.35Å; A579-A611 HydrophobicContact CB-CB 4.11Å; A579-N616 PolarHBondContact O-ND2 3.29Å; A579-V619 HydrophobicContact CB-CG1 4.3Å
580	A	92	Very high	90.8	Very high	47 Å²	47	36.4 Å²	36.4	39%	0.388	21%	0.208	S	C	.	.	H	α-helix	trans	-65.4	-36.4	175.2	0	0	0	0	0	112.5	C576 S577 V610 N616	C576-A580 WeakPolarHBondContact O-CB 3.28Å; C576-A580 PolarHBondContact O-N 3.04Å; S577-A580 PolarHBondContact O-N 2.96Å; A580-V610 HydrophobicContact CB-CG1 3.72Å; A580-N616 PolarHBondContact O-ND2 3.09Å
581	S	92.4	Very high	91.4	Very high	82 Å²	82	34.7 Å²	34.7	57%	0.573	20%	0.196	S	C	*	.	H	α-helix	trans	-84.9	-6.2	-179.3	56	0	0	0	0	114.7	S577 L578 A579	S577-S581 PolarHBondContact O-N 2.85Å; S577-S581 PolarHBondContact O-OG 2.95Å; L578-S581 WeakPolarHBondContact CA-OG 3.32Å; L578-S581 PolarHBondContact O-N 2.71Å; L578-S581 PolarHBondContact O-OG 3.36Å; L578-S581 VanDerWaalsContact O-OG 3.07Å; A579-S581 VanDerWaalsContact C-N 3.34Å
582	G	91.9	Very high	91.7	Very high	27 Å²	27	36.4 Å²	36.4	28%	0.278	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.1	12.7	-179.4	0	0	0	0	0	114.4	L578 A579 K584 N616	L578-G582 PolarHBondContact O-N 3.21Å; A579-G582 PolarHBondContact O-N 3.22Å; G582-K584 PolarHBondContact O-N 3.24Å; G582-N616 PolarHBondContact N-ND2 3.49Å
583	D	92.3	Very high	91.8	Very high	47 Å²	47	36.4 Å²	36.4	25%	0.251	21%	0.205	S	C	.	.			trans	-79.2	83.8	-173.3	-173.5	2	0	0	0	112.3	R548 L578 E585 G586 L587	R548-D583 IonicContact NE-OD2 2.88Å; R548-D583 IonicContact NH2-OD2 3.83Å; L578-D583 HydrophobicContact CB-CB 4.31Å; L578-D583 HydrophobicContact CD2-CB 3.87Å; L578-D583 WeakPolarHBondContact CD2-OD2 3.27Å; L578-D583 PolarHBondContact O-N 3.45Å; D583-E585 VanDerWaalsContact C-N 3.3Å; D583-E585 PolarHBondContact O-N 2.87Å; D583-E585 PolarHBondContact OD1-N 2.9Å; D583-G586 PolarHBondContact OD1-N 2.94Å; D583-L587 WeakPolarHBondContact O-CG 3.4Å; D583-L587 PolarHBondContact O-N 3.44Å
584	K	91.3	Very high	91.8	Very high	87 Å²	87	36 Å²	36	38%	0.378	21%	0.208	S	C	.	.	H	α-helix	trans	-60.5	-36.9	177	-66.7	-178.2	-78.6	-162.1	0	112.9	G582 D588 D618 V619 V622	G582-K584 PolarHBondContact O-N 3.24Å; K584-D588 PolarHBondContact O-N 3.27Å; K584-D588 VanDerWaalsContact O-N 3.14Å; K584-D618 HydrophobicContact CD-CB 4.09Å; K584-D618 IonicContact NZ-OD2 2.88Å; K584-D618 PolarHBondContact NZ-OD2 3.03Å; K584-V619 HydrophobicContact CG-CG2 3.88Å; K584-V622 HydrophobicContact CD-CG2 4.03Å; K584-V622 HydrophobicContact CG-CG2 4.42Å
585	E	91.2	Very high	91.7	Very high	114 Å²	114	33.1 Å²	33.1	53%	0.533	20%	0.196	S	C	.	.	H	α-helix	trans	-72.7	-44.1	-177.3	-177.6	171.9	-163.4	0	0	110.8	D583 L587 D588 I589	D583-E585 VanDerWaalsContact C-N 3.3Å; D583-E585 PolarHBondContact O-N 2.87Å; D583-E585 PolarHBondContact OD1-N 2.9Å; E585-L587 PolarHBondContact O-N 3.27Å; E585-D588 WeakPolarHBondContact O-CB 3.46Å; E585-D588 PolarHBondContact O-N 3.09Å; E585-I589 HydrophobicContact CG-CD1 4.05Å; E585-I589 VanDerWaalsContact O-CG1 3.32Å; E585-I589 WeakPolarHBondContact O-CG1 3.3Å; E585-I589 PolarHBondContact O-N 3.47Å
586	G	91.8	Very high	91.6	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-57.1	-46.7	174	0	0	0	0	0	112.4	D583 D588 I589 W590	D583-G586 PolarHBondContact OD1-N 2.94Å; G586-D588 VanDerWaalsContact C-N 3.3Å; G586-D588 PolarHBondContact O-N 3.03Å; G586-I589 PolarHBondContact O-N 3.45Å; G586-W590 VanDerWaalsContact O-CD1 3.3Å; G586-W590 PolarHBondContact O-N 3.39Å
587	L	91.8	Very high	91.4	Very high	0 Å²	0	37 Å²	37	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-60	-40.6	176.5	-71.7	170.2	0	0	0	112.3	L575 L578 D583 E585 R591 V619 L623	L575-L587 HydrophobicContact CB-CD2 4.36Å; L575-L587 HydrophobicContact CD2-CD2 3.69Å; L578-L587 HydrophobicContact CB-CD2 3.92Å; L578-L587 HydrophobicContact CB-CG 3.96Å; D583-L587 WeakPolarHBondContact O-CG 3.4Å; D583-L587 PolarHBondContact O-N 3.44Å; E585-L587 PolarHBondContact O-N 3.27Å; L587-R591 WeakPolarHBondContact O-CB 3.41Å; L587-R591 PolarHBondContact O-N 3.34Å; L587-V619 HydrophobicContact CD1-CG1 3.46Å; L587-V619 VanDerWaalsContact CD1-CG1 3.46Å; L587-L623 HydrophobicContact CD1-CD2 4.19Å; L587-L623 HydrophobicContact CD1-CG 4.4Å; L587-L623 HydrophobicContact CD2-CD2 4.46Å
588	D	91.9	Very high	91.3	Very high	11 Å²	11	36.5 Å²	36.5	6%	0.059	21%	0.21	C	C	.	.	H	α-helix	trans	-65.9	-40.9	175.9	-174.7	28.6	0	0	0	112.4	K550 K584 E585 G586 R591 I592 Y626	K550-D588 WeakPolarHBondContact CE-OD2 3.25Å; K550-D588 IonicContact NZ-OD2 3.87Å; K550-D588 PolarHBondContact NZ-OD2 3.41Å; K584-D588 PolarHBondContact O-N 3.27Å; K584-D588 VanDerWaalsContact O-N 3.14Å; E585-D588 WeakPolarHBondContact O-CB 3.46Å; E585-D588 PolarHBondContact O-N 3.09Å; G586-D588 VanDerWaalsContact C-N 3.3Å; G586-D588 PolarHBondContact O-N 3.03Å; D588-R591 WeakPolarHBondContact O-CB 3.44Å; D588-R591 PolarHBondContact O-N 3.28Å; D588-R591 IonicContact OD1-CZ 3.94Å; D588-R591 IonicContact OD1-NE 3.89Å; D588-R591 PolarHBondContact OD1-NE 3.21Å; D588-R591 IonicContact OD1-NH2 2.74Å; D588-R591 PolarHBondContact OD1-NH2 3.35Å; D588-I592 VanDerWaalsContact O-CG1 3.26Å; D588-I592 WeakPolarHBondContact O-CG1 3.48Å; D588-I592 PolarHBondContact O-N 2.84Å; D588-Y626 HydrophobicContact CB-CE2 4.47Å
589	I	93.6	Very high	91	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-62	-46.6	176.8	-70.3	172.1	0	0	0	111	V545 R548 K550 V553 E585 G586 R591 I592 A593	V545-I589 HydrophobicContact CB-CG2 4.26Å; V545-I589 HydrophobicContact CG1-CG2 4.13Å; V545-I589 HydrophobicContact CG2-CG2 4.02Å; R548-I589 HydrophobicContact CB-CD1 3.97Å; K550-I589 HydrophobicContact CB-CD1 4.02Å; K550-I589 HydrophobicContact CB-CG1 3.82Å; K550-I589 HydrophobicContact CD-CG1 4.26Å; K550-I589 HydrophobicContact CG-CG1 4.01Å; V553-I589 HydrophobicContact CG2-CG2 4.03Å; E585-I589 HydrophobicContact CG-CD1 4.05Å; E585-I589 VanDerWaalsContact O-CG1 3.32Å; E585-I589 WeakPolarHBondContact O-CG1 3.3Å; E585-I589 PolarHBondContact O-N 3.47Å; G586-I589 PolarHBondContact O-N 3.45Å; I589-R591 VanDerWaalsContact C-N 3.33Å; I589-R591 PolarHBondContact O-N 3.39Å; I589-I592 PolarHBondContact O-N 3.06Å; I589-A593 WeakPolarHBondContact O-CB 3.36Å; I589-A593 PolarHBondContact O-N 3.08Å
590	W	92.3	Very high	90.8	Very high	27 Å²	27	43.9 Å²	43.9	10%	0.102	25%	0.245	C	C	.	.	H	α-helix	trans	-61.8	-40.3	176.2	-85.1	97.8	0	0	0	112.3	V545 F563 A571 E574 L575 L578 G586 A593 G594 A595	V545-W590 HydrophobicContact CG1-CD2 3.85Å; V545-W590 HydrophobicContact CG1-CE3 4.42Å; V545-W590 HydrophobicContact CG1-CG 4.17Å; V545-W590 HydrophobicContact CG1-CH2 4.5Å; V545-W590 HydrophobicContact CG1-CZ2 3.9Å; F563-W590 HydrophobicContact CE1-CZ3 4.38Å; F563-W590 AromaticContact CE2-CE3 3.82Å; F563-W590 HydrophobicContact CE2-CE3 3.82Å; F563-W590 AromaticContact CE2-CZ3 3.82Å; F563-W590 HydrophobicContact CE2-CZ3 3.82Å; F563-W590 AromaticContact CZ-CE3 3.92Å; F563-W590 HydrophobicContact CZ-CE3 3.92Å; F563-W590 HydrophobicContact CZ-CH2 4.33Å; F563-W590 AromaticContact CZ-CZ3 3.7Å; F563-W590 HydrophobicContact CZ-CZ3 3.7Å; A571-W590 HydrophobicContact CB-CE3 3.94Å; A571-W590 HydrophobicContact CB-CH2 4.35Å; A571-W590 HydrophobicContact CB-CZ3 3.57Å; E574-W590 HydrophobicContact CB-CZ2 4.08Å; E574-W590 HydrophobicContact CG-CZ2 3.58Å; L575-W590 HydrophobicContact CD2-CB 3.67Å; L575-W590 HydrophobicContact CD2-CG 4.09Å; L578-W590 VanDerWaalsContact CD1-CD1 3.45Å; G586-W590 VanDerWaalsContact O-CD1 3.3Å; G586-W590 PolarHBondContact O-N 3.39Å; W590-A593 PolarHBondContact O-N 3.4Å; W590-G594 PolarHBondContact O-N 3.08Å; W590-A595 HydrophobicContact CB-CB 4.28Å; W590-A595 HydrophobicContact CE3-CB 3.84Å; W590-A595 VanDerWaalsContact O-CB 3.3Å; W590-A595 WeakPolarHBondContact O-CB 3.3Å; W590-A595 PolarHBondContact O-N 2.93Å
591	R	91.9	Very high	90.5	Very high	84 Å²	84	42.1 Å²	42.1	32%	0.317	23%	0.231	S	C	.	.	H	α-helix	trans	-59.6	-50.7	173.3	178.9	-171.8	68.7	150.4	-1	111.9	L587 D588 I589 A593 G594 L597	L587-R591 WeakPolarHBondContact O-CB 3.41Å; L587-R591 PolarHBondContact O-N 3.34Å; D588-R591 WeakPolarHBondContact O-CB 3.44Å; D588-R591 PolarHBondContact O-N 3.28Å; D588-R591 IonicContact OD1-CZ 3.94Å; D588-R591 IonicContact OD1-NE 3.89Å; D588-R591 PolarHBondContact OD1-NE 3.21Å; D588-R591 IonicContact OD1-NH2 2.74Å; D588-R591 PolarHBondContact OD1-NH2 3.35Å; I589-R591 VanDerWaalsContact C-N 3.33Å; I589-R591 PolarHBondContact O-N 3.39Å; R591-A593 PolarHBondContact O-N 3.13Å; R591-G594 WeakPolarHBondContact O-CA 3.35Å; R591-G594 PolarHBondContact O-N 3Å; R591-L597 HydrophobicContact CB-CD1 4.14Å; R591-L597 HydrophobicContact CB-CD2 4.25Å; R591-L597 HydrophobicContact CB-CG 4.35Å; R591-L597 HydrophobicContact CG-CD1 4.13Å
592	I	92.1	Very high	90	Very high	38 Å²	38	48.2 Å²	48.2	20%	0.195	24%	0.243	C	C	.	.	H	α-helix	trans	-60.4	-39.3	179	-68	165.8	0	0	0	110.2	K550 V553 R554 R557 D588 I589 G594	K550-I592 HydrophobicContact CD-CD1 4.32Å; K550-I592 HydrophobicContact CG-CD1 3.98Å; V553-I592 HydrophobicContact CG1-CB 4.38Å; V553-I592 HydrophobicContact CG1-CG2 3.94Å; R554-I592 HydrophobicContact CB-CG2 4.43Å; R554-I592 HydrophobicContact CG-CD1 4.35Å; R554-I592 HydrophobicContact CG-CG2 3.57Å; R557-I592 WeakPolarHBondContact CG-O 3.05Å; R557-I592 PolarHBondContact NE-O 3Å; D588-I592 VanDerWaalsContact O-CG1 3.26Å; D588-I592 WeakPolarHBondContact O-CG1 3.48Å; D588-I592 PolarHBondContact O-N 2.84Å; I589-I592 PolarHBondContact O-N 3.06Å; I592-G594 PolarHBondContact O-N 3.16Å; I592-G594 VanDerWaalsContact O-N 3.13Å
593	A	90.9	Very high	89.6	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-8	175.7	0	0	0	0	0	113.9	L541 V545 V553 R557 F563 I589 W590 R591	L541-A593 HydrophobicContact CD1-CB 4.35Å; V545-A593 HydrophobicContact CG2-CB 3.55Å; V553-A593 HydrophobicContact CG1-CB 3.76Å; R557-A593 VanDerWaalsContact CD-O 3.27Å; R557-A593 WeakPolarHBondContact CD-O 3.44Å; R557-A593 PolarHBondContact NE-O 2.86Å; F563-A593 HydrophobicContact CD2-CB 4.32Å; F563-A593 HydrophobicContact CE2-CB 3.34Å; F563-A593 HydrophobicContact CZ-CB 3.62Å; I589-A593 WeakPolarHBondContact O-CB 3.36Å; I589-A593 PolarHBondContact O-N 3.08Å; W590-A593 PolarHBondContact O-N 3.4Å; R591-A593 PolarHBondContact O-N 3.13Å
594	G	89.4	Confident	89.4	Confident	36 Å²	36	50.9 Å²	50.9	37%	0.371	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	97.9	14.4	174.1	0	0	0	0	0	114.8	W590 R591 I592	W590-G594 PolarHBondContact O-N 3.08Å; R591-G594 WeakPolarHBondContact O-CA 3.35Å; R591-G594 PolarHBondContact O-N 3Å; I592-G594 PolarHBondContact O-N 3.16Å; I592-G594 VanDerWaalsContact O-N 3.13Å
595	A	89.7	Confident	89.3	Confident	9 Å²	9	51.5 Å²	51.5	7%	0.074	27%	0.266	C	S	.	.			trans	-73.2	142.3	174.9	0	0	0	0	0	112.1	L568 A571 W590 L597	L568-A595 HydrophobicContact CD2-CB 4.45Å; A571-A595 HydrophobicContact CB-CB 4.26Å; W590-A595 HydrophobicContact CB-CB 4.28Å; W590-A595 HydrophobicContact CE3-CB 3.84Å; W590-A595 VanDerWaalsContact O-CB 3.3Å; W590-A595 WeakPolarHBondContact O-CB 3.3Å; W590-A595 PolarHBondContact O-N 2.93Å; A595-L597 PolarHBondContact O-N 3.41Å
596	D	88.4	Confident	89.3	Confident	77 Å²	77	47.4 Å²	47.4	41%	0.412	25%	0.249	S	C	.	.			trans	-79.5	110.2	172.5	-176.3	-1.7	0	0	0	109.8	L575 T598 R599	L575-D596 WeakPolarHBondContact CD1-O 3.47Å; D596-T598 VanDerWaalsContact CG-OG1 3.22Å; D596-T598 PolarHBondContact O-N 3.35Å; D596-T598 VanDerWaalsContact O-N 3.12Å; D596-T598 WeakPolarHBondContact OD1-CB 3.46Å; D596-T598 PolarHBondContact OD1-N 3.45Å; D596-T598 PolarHBondContact OD1-OG1 2.74Å; D596-T598 PolarHBondContact OD2-OG1 2.98Å; D596-R599 HydrophobicContact CB-CB 4.47Å; D596-R599 WeakPolarHBondContact O-CB 3.34Å; D596-R599 PolarHBondContact O-N 3.04Å
597	L	87.4	Confident	89.3	Confident	18 Å²	18	47.4 Å²	47.4	9%	0.094	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-14.4	179.8	-62.4	178.6	0	0	0	113.8	L575 R591 A595 L623 Y626	L575-L597 HydrophobicContact CD1-CD2 4.25Å; L575-L597 HydrophobicContact CD2-CD2 3.59Å; R591-L597 HydrophobicContact CB-CD1 4.14Å; R591-L597 HydrophobicContact CB-CD2 4.25Å; R591-L597 HydrophobicContact CB-CG 4.35Å; R591-L597 HydrophobicContact CG-CD1 4.13Å; A595-L597 PolarHBondContact O-N 3.41Å; L597-L623 HydrophobicContact CB-CD2 4.42Å; L597-L623 HydrophobicContact CD1-CD2 4.04Å; L597-L623 HydrophobicContact CD2-CD2 4.45Å; L597-Y626 HydrophobicContact CD1-CD2 3.65Å; L597-Y626 HydrophobicContact CD1-CG 4.23Å
598	T	88.6	Confident	89.3	Confident	56 Å²	56	48.8 Å²	48.8	34%	0.344	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-3.6	176.5	69.3	0	0	0	0	113	D596 P600 T606 M627	D596-T598 VanDerWaalsContact CG-OG1 3.22Å; D596-T598 PolarHBondContact O-N 3.35Å; D596-T598 VanDerWaalsContact O-N 3.12Å; D596-T598 WeakPolarHBondContact OD1-CB 3.46Å; D596-T598 PolarHBondContact OD1-N 3.45Å; D596-T598 PolarHBondContact OD1-OG1 2.74Å; D596-T598 PolarHBondContact OD2-OG1 2.98Å; T598-P600 WeakPolarHBondContact O-CD 3.45Å; T598-T606 WeakPolarHBondContact O-CG2 3.41Å; T598-M627 HydrophobicContact CG2-CG 4.35Å; T598-M627 HydrophobicContact CG2-SD 3.9Å
599	R	87.6	Confident	89.3	Confident	104 Å²	104	52.6 Å²	52.6	39%	0.392	27%	0.274	S	S	.	.			trans	-62.5	124.4	178.4	-168.9	72.6	178.4	-179.6	-1.5	109.9	D596	D596-R599 HydrophobicContact CB-CB 4.47Å; D596-R599 WeakPolarHBondContact O-CB 3.34Å; D596-R599 PolarHBondContact O-N 3.04Å
600	P	87.7	Confident	89.3	Confident	58 Å²	58	53.8 Å²	53.8	38%	0.377	28%	0.281	S	S	.	.			trans	-71.3	149.1	176	29	-33.3	0	0	0	111	T598 G604 K605 T606	T598-P600 WeakPolarHBondContact O-CD 3.45Å; P600-G604 WeakPolarHBondContact CB-O 3.4Å; P600-K605 CarbonylContact C-O 3.53Å; P600-K605 VanDerWaalsContact CA-O 3.26Å; P600-K605 WeakPolarHBondContact CA-O 3.4Å; P600-T606 HydrophobicContact CB-CG2 4.5Å
601	G	86.8	Confident	89.3	Confident	10 Å²	10	52.5 Å²	52.5	10%	0.103	28%	0.276	C	S	.	.			trans	-73.2	-176.2	167.3	0	0	0	0	0	112.4	D603 G604 K605	G601-D603 PolarHBondContact O-N 2.66Å; G601-D603 VanDerWaalsContact O-N 3.16Å; G601-G604 PolarHBondContact O-N 3.42Å; G601-K605 PolarHBondContact N-O 3.42Å
602	Y	81.8	Confident	89.3	Confident	209 Å²	209	54 Å²	54	82%	0.82	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-22.4	-179.1	71.4	-91.1	0	0	0	114.2	S573 G604	S573-Y602 PolarHBondContact OG-N 2.97Å; Y602-G604 VanDerWaalsContact C-N 3.3Å
603	D	84.1	Confident	89.3	Confident	77 Å²	77	56.1 Å²	56.1	41%	0.412	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	5.1	178.2	69.4	-17.5	0	0	0	113	G601 K605	G601-D603 PolarHBondContact O-N 2.66Å; G601-D603 VanDerWaalsContact O-N 3.16Å; D603-K605 PolarHBondContact O-N 3.31Å; D603-K605 WeakPolarHBondContact OD1-CB 3.1Å; D603-K605 PolarHBondContact OD1-N 2.84Å; D603-K605 VanDerWaalsContact OD1-N 3.09Å; D603-K605 WeakPolarHBondContact OD2-CD 3.39Å
604	G	86.4	Confident	89.3	Confident	53 Å²	53	58.7 Å²	58.7	55%	0.546	33%	0.331	S	S	.	.	S	Bend	trans	78.7	-2.7	-178.3	0	0	0	0	0	114.2	P600 G601 Y602	P600-G604 WeakPolarHBondContact CB-O 3.4Å; G601-G604 PolarHBondContact O-N 3.42Å; Y602-G604 VanDerWaalsContact C-N 3.3Å
605	K	89.7	Confident	89.4	Confident	100 Å²	100	59.4 Å²	59.4	44%	0.435	34%	0.338	S	S	.	.			trans	-87.2	147.3	178.7	-62.3	-175.5	-174.5	169.3	0	111.3	C576 P600 G601 D603 E609 V610	C576-K605 PolarHBondContact SG-O 3.26Å; C576-K605 VanDerWaalsContact SG-O 3.33Å; P600-K605 CarbonylContact C-O 3.53Å; P600-K605 VanDerWaalsContact CA-O 3.26Å; P600-K605 WeakPolarHBondContact CA-O 3.4Å; G601-K605 PolarHBondContact N-O 3.42Å; D603-K605 PolarHBondContact O-N 3.31Å; D603-K605 WeakPolarHBondContact OD1-CB 3.1Å; D603-K605 PolarHBondContact OD1-N 2.84Å; D603-K605 VanDerWaalsContact OD1-N 3.09Å; D603-K605 WeakPolarHBondContact OD2-CD 3.39Å; K605-E609 WeakPolarHBondContact CA-OE2 3.24Å; K605-V610 HydrophobicContact CB-CG2 3.9Å; K605-V610 HydrophobicContact CD-CG2 4.34Å
606	T	92.4	Very high	89.5	Confident	29 Å²	29	61 Å²	61	18%	0.178	35%	0.346	C	S	.	.			trans	-88.5	159.7	174.3	60.6	0	0	0	0	111.3	T598 P600 I608 E609 V610	T598-T606 WeakPolarHBondContact O-CG2 3.41Å; P600-T606 HydrophobicContact CB-CG2 4.5Å; T606-I608 PolarHBondContact O-N 3.42Å; T606-I608 VanDerWaalsContact O-N 3.14Å; T606-I608 WeakPolarHBondContact OG1-CG2 3.26Å; T606-E609 PolarHBondContact N-OE2 2.97Å; T606-E609 PolarHBondContact O-N 2.82Å; T606-E609 VanDerWaalsContact O-N 3.13Å; T606-E609 VanDerWaalsContact OG1-CD 3.29Å; T606-E609 WeakPolarHBondContact OG1-CG 3.44Å; T606-E609 PolarHBondContact OG1-OE2 2.77Å; T606-V610 WeakPolarHBondContact O-CG2 3.49Å; T606-V610 PolarHBondContact O-N 3.2Å
607	A	91.1	Very high	89.6	Confident	0 Å²	0	65.2 Å²	65.2	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-55.2	-34.4	178.1	0	0	0	0	0	112.7	L575 A579 A611 L623	L575-A607 HydrophobicContact CB-CB 4.1Å; A579-A607 HydrophobicContact CB-CB 4Å; A579-A607 WeakPolarHBondContact CB-O 3.35Å; A607-A611 WeakPolarHBondContact O-CB 3.37Å; A607-A611 PolarHBondContact O-N 3.2Å; A607-L623 HydrophobicContact CB-CD1 4.15Å
608	I	92.5	Very high	89.6	Confident	29 Å²	29	68.7 Å²	68.7	15%	0.149	38%	0.379	C	S	.	.	H	α-helix	trans	-71.2	-41.4	178.7	-166.5	165.6	0	0	0	112.7	T606 V610 A611 Q612 V620 L623 N624 M627	T606-I608 PolarHBondContact O-N 3.42Å; T606-I608 VanDerWaalsContact O-N 3.14Å; T606-I608 WeakPolarHBondContact OG1-CG2 3.26Å; I608-V610 VanDerWaalsContact C-N 3.29Å; I608-V610 PolarHBondContact O-N 3.08Å; I608-A611 PolarHBondContact O-N 2.73Å; I608-Q612 VanDerWaalsContact O-CG 3.31Å; I608-Q612 WeakPolarHBondContact O-CG 3.29Å; I608-Q612 PolarHBondContact O-N 3.28Å; I608-V620 HydrophobicContact CD1-CG1 4.23Å; I608-V620 HydrophobicContact CG1-CG1 4.19Å; I608-L623 HydrophobicContact CB-CD1 4.08Å; I608-L623 HydrophobicContact CD1-CB 4.47Å; I608-N624 WeakPolarHBondContact CD1-OD1 3.37Å; I608-M627 HydrophobicContact CD1-CE 3.5Å; I608-M627 VanDerWaalsContact CD1-CE 3.5Å
609	E	92.1	Very high	89.7	Confident	91 Å²	91	66.1 Å²	66.1	43%	0.425	36%	0.363	S	S	.	.	H	α-helix	trans	-63.7	-39	176.7	-70	165.6	149.1	0	0	110.7	K605 T606 Q612 A613	K605-E609 WeakPolarHBondContact CA-OE2 3.24Å; T606-E609 PolarHBondContact N-OE2 2.97Å; T606-E609 PolarHBondContact O-N 2.82Å; T606-E609 VanDerWaalsContact O-N 3.13Å; T606-E609 VanDerWaalsContact OG1-CD 3.29Å; T606-E609 WeakPolarHBondContact OG1-CG 3.44Å; T606-E609 PolarHBondContact OG1-OE2 2.77Å; E609-Q612 PolarHBondContact O-N 2.94Å; E609-A613 WeakPolarHBondContact O-CB 3.43Å; E609-A613 PolarHBondContact O-N 2.71Å
610	V	92.1	Very high	89.8	Confident	24 Å²	24	62.2 Å²	62.2	15%	0.145	35%	0.351	C	S	.	.	H	α-helix	trans	-67.9	-42.8	175.7	176.7	0	0	0	0	111.5	C576 A580 K605 T606 I608 Q612 A613 A614	C576-V610 HydrophobicContact CB-CB 4.49Å; C576-V610 HydrophobicContact CB-CG2 4.06Å; C576-V610 WeakPolarHBondContact O-CG1 3.42Å; A580-V610 HydrophobicContact CB-CG1 3.72Å; K605-V610 HydrophobicContact CB-CG2 3.9Å; K605-V610 HydrophobicContact CD-CG2 4.34Å; T606-V610 WeakPolarHBondContact O-CG2 3.49Å; T606-V610 PolarHBondContact O-N 3.2Å; I608-V610 VanDerWaalsContact C-N 3.29Å; I608-V610 PolarHBondContact O-N 3.08Å; V610-Q612 VanDerWaalsContact C-N 3.32Å; V610-Q612 PolarHBondContact O-N 2.88Å; V610-A613 PolarHBondContact O-N 3.06Å; V610-A614 WeakPolarHBondContact O-CB 3.5Å; V610-A614 PolarHBondContact O-N 3.26Å
611	A	92.7	Very high	89.9	Confident	0 Å²	0	65.9 Å²	65.9	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-60.7	-41	174.8	0	0	0	0	0	112.2	A579 A607 I608 A614 G615 N616 V619 V620	A579-A611 HydrophobicContact CB-CB 4.11Å; A607-A611 WeakPolarHBondContact O-CB 3.37Å; A607-A611 PolarHBondContact O-N 3.2Å; I608-A611 PolarHBondContact O-N 2.73Å; A611-A614 PolarHBondContact O-N 3.19Å; A611-G615 PolarHBondContact O-N 3.07Å; A611-G615 VanDerWaalsContact O-N 3.12Å; A611-N616 HydrophobicContact CB-CB 4.49Å; A611-N616 PolarHBondContact O-N 3.15Å; A611-V619 HydrophobicContact CB-CB 4.18Å; A611-V619 HydrophobicContact CB-CG1 3.79Å; A611-V620 HydrophobicContact CB-CG2 3.66Å
612	Q	92.8	Very high	90	Very high	115 Å²	115	66.9 Å²	66.9	54%	0.537	37%	0.367	S	S	.	.	H	α-helix	trans	-63.6	-48.1	175.9	-74.2	173.7	-11.3	0	0	111.4	I608 E609 V610 A614 G615 V620	I608-Q612 VanDerWaalsContact O-CG 3.31Å; I608-Q612 WeakPolarHBondContact O-CG 3.29Å; I608-Q612 PolarHBondContact O-N 3.28Å; E609-Q612 PolarHBondContact O-N 2.94Å; V610-Q612 VanDerWaalsContact C-N 3.32Å; V610-Q612 PolarHBondContact O-N 2.88Å; Q612-A614 VanDerWaalsContact C-N 3.28Å; Q612-A614 PolarHBondContact O-N 3.11Å; Q612-G615 PolarHBondContact O-N 2.95Å; Q612-G615 VanDerWaalsContact O-N 3.1Å; Q612-V620 HydrophobicContact CB-CG2 4.48Å; Q612-V620 HydrophobicContact CG-CG1 4.18Å; Q612-V620 HydrophobicContact CG-CG2 3.66Å
613	A	91.2	Very high	90.3	Very high	84 Å²	84	57 Å²	57	69%	0.694	33%	0.329	S	S	*	.	H	α-helix	trans	-62.9	-34.3	178.6	0	0	0	0	0	112.7	E609 V610 G615	E609-A613 WeakPolarHBondContact O-CB 3.43Å; E609-A613 PolarHBondContact O-N 2.71Å; V610-A613 PolarHBondContact O-N 3.06Å; A613-G615 VanDerWaalsContact C-N 3.32Å
614	A	90.6	Very high	90.5	Very high	53 Å²	53	56.3 Å²	56.3	44%	0.438	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80	-9	176.2	0	0	0	0	0	114	V610 A611 Q612	V610-A614 WeakPolarHBondContact O-CB 3.5Å; V610-A614 PolarHBondContact O-N 3.26Å; A611-A614 PolarHBondContact O-N 3.19Å; Q612-A614 VanDerWaalsContact C-N 3.28Å; Q612-A614 PolarHBondContact O-N 3.11Å
615	G	91	Very high	90.5	Very high	51 Å²	51	56.6 Å²	56.6	53%	0.526	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	78	15.1	-178.6	0	0	0	0	0	115.1	A611 Q612 A613 K617	A611-G615 PolarHBondContact O-N 3.07Å; A611-G615 VanDerWaalsContact O-N 3.12Å; Q612-G615 PolarHBondContact O-N 2.95Å; Q612-G615 VanDerWaalsContact O-N 3.1Å; A613-G615 VanDerWaalsContact C-N 3.32Å; G615-K617 VanDerWaalsContact C-N 3.35Å; G615-K617 PolarHBondContact O-N 3.49Å
616	N	92.2	Very high	90.2	Very high	44 Å²	44	54 Å²	54	24%	0.235	31%	0.306	C	S	.	.			trans	-81.6	73.9	-178.4	-69.2	-33.4	0	0	0	111.7	A579 A580 G582 A611 D618 V619 V620	A579-N616 PolarHBondContact O-ND2 3.29Å; A580-N616 PolarHBondContact O-ND2 3.09Å; G582-N616 PolarHBondContact N-ND2 3.49Å; A611-N616 HydrophobicContact CB-CB 4.49Å; A611-N616 PolarHBondContact O-N 3.15Å; N616-D618 PolarHBondContact O-N 3.01Å; N616-V619 HydrophobicContact CB-CB 4.11Å; N616-V619 HydrophobicContact CB-CG2 4.2Å; N616-V619 PolarHBondContact O-N 3.12Å; N616-V619 VanDerWaalsContact O-N 3.07Å; N616-V620 PolarHBondContact O-N 3.36Å
617	K	90.3	Very high	89.5	Confident	164 Å²	164	55.4 Å²	55.4	71%	0.713	31%	0.311	S	S	*	.	H	α-helix	trans	-54.7	-44.9	-175.6	-65.4	-175.2	-179.2	-179.6	0	113.6	G615 V619 V620 E621	G615-K617 VanDerWaalsContact C-N 3.35Å; G615-K617 PolarHBondContact O-N 3.49Å; K617-V619 VanDerWaalsContact C-N 3.28Å; K617-V619 PolarHBondContact O-N 2.67Å; K617-V620 WeakPolarHBondContact O-CB 3.24Å; K617-V620 PolarHBondContact O-N 3.28Å; K617-V620 VanDerWaalsContact O-N 3.15Å; K617-E621 PolarHBondContact O-N 3.46Å
618	D	89	Confident	88.7	Confident	92 Å²	92	61.7 Å²	61.7	49%	0.492	35%	0.345	S	S	.	.	H	α-helix	trans	-56.2	-41.7	176.8	-69.5	17.1	0	0	0	112.7	K584 N616 E621 V622	K584-D618 HydrophobicContact CD-CB 4.09Å; K584-D618 IonicContact NZ-OD2 2.88Å; K584-D618 PolarHBondContact NZ-OD2 3.03Å; N616-D618 PolarHBondContact O-N 3.01Å; D618-E621 PolarHBondContact O-N 3.28Å; D618-V622 VanDerWaalsContact O-CG2 3.26Å; D618-V622 WeakPolarHBondContact O-CG2 3.24Å; D618-V622 PolarHBondContact O-N 2.91Å
619	V	90.4	Very high	87.3	Confident	2 Å²	2	63.2 Å²	63.2	1%	0.012	36%	0.358	C	S	.	.	H	α-helix	trans	-69.2	-38.6	-179.6	172.1	0	0	0	0	110.6	A579 K584 L587 A611 N616 K617 E621 V622 L623	A579-V619 HydrophobicContact CB-CG1 4.3Å; K584-V619 HydrophobicContact CG-CG2 3.88Å; L587-V619 HydrophobicContact CD1-CG1 3.46Å; L587-V619 VanDerWaalsContact CD1-CG1 3.46Å; A611-V619 HydrophobicContact CB-CB 4.18Å; A611-V619 HydrophobicContact CB-CG1 3.79Å; N616-V619 HydrophobicContact CB-CB 4.11Å; N616-V619 HydrophobicContact CB-CG2 4.2Å; N616-V619 PolarHBondContact O-N 3.12Å; N616-V619 VanDerWaalsContact O-N 3.07Å; K617-V619 VanDerWaalsContact C-N 3.28Å; K617-V619 PolarHBondContact O-N 2.67Å; V619-E621 VanDerWaalsContact C-N 3.34Å; V619-E621 PolarHBondContact O-N 3.44Å; V619-V622 PolarHBondContact O-N 3.05Å; V619-L623 HydrophobicContact CG1-CD1 3.77Å; V619-L623 HydrophobicContact CG1-CG 4.09Å; V619-L623 WeakPolarHBondContact O-CB 3.33Å; V619-L623 VanDerWaalsContact O-CG 3.3Å; V619-L623 WeakPolarHBondContact O-CG 3.47Å; V619-L623 PolarHBondContact O-N 3.06Å
620	V	89.9	Confident	85.3	Confident	21 Å²	21	66.8 Å²	66.8	13%	0.127	37%	0.372	C	S	.	.	H	α-helix	trans	-61.1	-44.3	175.8	177.1	0	0	0	0	110.7	I608 A611 Q612 N616 K617 L623 N624	I608-V620 HydrophobicContact CD1-CG1 4.23Å; I608-V620 HydrophobicContact CG1-CG1 4.19Å; A611-V620 HydrophobicContact CB-CG2 3.66Å; Q612-V620 HydrophobicContact CB-CG2 4.48Å; Q612-V620 HydrophobicContact CG-CG1 4.18Å; Q612-V620 HydrophobicContact CG-CG2 3.66Å; N616-V620 PolarHBondContact O-N 3.36Å; K617-V620 WeakPolarHBondContact O-CB 3.24Å; K617-V620 PolarHBondContact O-N 3.28Å; K617-V620 VanDerWaalsContact O-N 3.15Å; V620-L623 PolarHBondContact O-N 3.31Å; V620-N624 WeakPolarHBondContact O-CB 3.36Å; V620-N624 VanDerWaalsContact O-CG 3.3Å; V620-N624 PolarHBondContact O-N 3.01Å; V620-N624 PolarHBondContact O-ND2 2.78Å
621	E	89.7	Confident	82.6	Confident	135 Å²	135	71.5 Å²	71.5	63%	0.631	40%	0.401	S	S	*	.	H	α-helix	trans	-61	-46.4	175.3	-71.8	179.6	-173.6	0	0	111.9	K617 D618 V619 N624 S625	K617-E621 PolarHBondContact O-N 3.46Å; D618-E621 PolarHBondContact O-N 3.28Å; V619-E621 VanDerWaalsContact C-N 3.34Å; V619-E621 PolarHBondContact O-N 3.44Å; E621-N624 PolarHBondContact O-N 3.18Å; E621-S625 WeakPolarHBondContact O-CB 3.42Å; E621-S625 PolarHBondContact O-N 3.26Å
622	V	88.5	Confident	79.8	Confident	31 Å²	31	79.7 Å²	79.7	19%	0.188	44%	0.441	C	S	.	.	H	α-helix	trans	-61.3	-48.8	177.9	170	0	0	0	0	111.2	K584 D618 V619 N624 S625 Y626	K584-V622 HydrophobicContact CD-CG2 4.03Å; K584-V622 HydrophobicContact CG-CG2 4.42Å; D618-V622 VanDerWaalsContact O-CG2 3.26Å; D618-V622 WeakPolarHBondContact O-CG2 3.24Å; D618-V622 PolarHBondContact O-N 2.91Å; V619-V622 PolarHBondContact O-N 3.05Å; V622-N624 PolarHBondContact O-N 3.02Å; V622-S625 WeakPolarHBondContact O-CB 3.19Å; V622-S625 PolarHBondContact O-N 3.36Å; V622-S625 PolarHBondContact O-OG 3.1Å; V622-Y626 HydrophobicContact CG1-CD2 3.88Å; V622-Y626 HydrophobicContact CG1-CE1 4.01Å; V622-Y626 HydrophobicContact CG1-CE2 3.28Å; V622-Y626 WeakPolarHBondContact O-CD1 3.45Å; V622-Y626 VanDerWaalsContact O-CG 3.24Å; V622-Y626 PolarHBondContact O-N 2.64Å
623	L	87.9	Confident	77	Confident	3 Å²	3	82.8 Å²	82.8	2%	0.016	46%	0.462	C	S	.	.	H	α-helix	trans	-61.8	-42.2	178.4	-72.1	174.6	0	0	0	111.7	L587 L597 A607 I608 V619 V620 S625 Y626 M627	L587-L623 HydrophobicContact CD1-CD2 4.19Å; L587-L623 HydrophobicContact CD1-CG 4.4Å; L587-L623 HydrophobicContact CD2-CD2 4.46Å; L597-L623 HydrophobicContact CB-CD2 4.42Å; L597-L623 HydrophobicContact CD1-CD2 4.04Å; L597-L623 HydrophobicContact CD2-CD2 4.45Å; A607-L623 HydrophobicContact CB-CD1 4.15Å; I608-L623 HydrophobicContact CB-CD1 4.08Å; I608-L623 HydrophobicContact CD1-CB 4.47Å; V619-L623 HydrophobicContact CG1-CD1 3.77Å; V619-L623 HydrophobicContact CG1-CG 4.09Å; V619-L623 WeakPolarHBondContact O-CB 3.33Å; V619-L623 VanDerWaalsContact O-CG 3.3Å; V619-L623 WeakPolarHBondContact O-CG 3.47Å; V619-L623 PolarHBondContact O-N 3.06Å; V620-L623 PolarHBondContact O-N 3.31Å; L623-S625 PolarHBondContact O-N 3.28Å; L623-Y626 PolarHBondContact O-N 2.81Å; L623-M627 PolarHBondContact O-N 3.25Å; L623-M627 WeakPolarHBondContact O-CG 3.38Å
624	N	87.9	Confident	74.2	Confident	62 Å²	62	82.2 Å²	82.2	33%	0.332	46%	0.464	S	S	.	.	H	α-helix	trans	-61.4	-42.9	173.9	-78.8	-30.6	0	0	0	112.1	I608 V620 E621 V622 Y626 M627 N628	I608-N624 WeakPolarHBondContact CD1-OD1 3.37Å; V620-N624 WeakPolarHBondContact O-CB 3.36Å; V620-N624 VanDerWaalsContact O-CG 3.3Å; V620-N624 PolarHBondContact O-N 3.01Å; V620-N624 PolarHBondContact O-ND2 2.78Å; E621-N624 PolarHBondContact O-N 3.18Å; V622-N624 PolarHBondContact O-N 3.02Å; N624-Y626 VanDerWaalsContact C-N 3.27Å; N624-Y626 PolarHBondContact O-N 3.06Å; N624-M627 PolarHBondContact O-N 2.76Å; N624-M627 VanDerWaalsContact OD1-CE 3.26Å; N624-M627 WeakPolarHBondContact OD1-CE 3.33Å; N624-N628 WeakPolarHBondContact O-CB 3.27Å; N624-N628 VanDerWaalsContact O-CG 3.22Å; N624-N628 PolarHBondContact O-N 2.88Å; N624-N628 PolarHBondContact O-ND2 3.17Å
625	S	87.2	Confident	71.2	Confident	58 Å²	58	84.2 Å²	84.2	41%	0.406	48%	0.481	S	S	.	.	H	α-helix	trans	-59.9	-40	176.6	81.6	0	0	0	0	111.8	E621 V622 L623 N628 S629	E621-S625 WeakPolarHBondContact O-CB 3.42Å; E621-S625 PolarHBondContact O-N 3.26Å; V622-S625 WeakPolarHBondContact O-CB 3.19Å; V622-S625 PolarHBondContact O-N 3.36Å; V622-S625 PolarHBondContact O-OG 3.1Å; L623-S625 PolarHBondContact O-N 3.28Å; S625-N628 PolarHBondContact O-N 3.32Å; S625-S629 WeakPolarHBondContact O-CB 3.43Å; S625-S629 PolarHBondContact O-N 3.38Å; S625-S629 PolarHBondContact O-OG 3.07Å
626	Y	83.3	Confident	68.2	Low	46 Å²	46	86.4 Å²	86.4	18%	0.18	49%	0.494	C	S	.	.	H	α-helix	trans	-72.4	-35.2	-179.7	-64.4	-12.9	0	0	0	112.8	D588 L597 V622 L623 N624 S629	D588-Y626 HydrophobicContact CB-CE2 4.47Å; L597-Y626 HydrophobicContact CD1-CD2 3.65Å; L597-Y626 HydrophobicContact CD1-CG 4.23Å; V622-Y626 HydrophobicContact CG1-CD2 3.88Å; V622-Y626 HydrophobicContact CG1-CE1 4.01Å; V622-Y626 HydrophobicContact CG1-CE2 3.28Å; V622-Y626 WeakPolarHBondContact O-CD1 3.45Å; V622-Y626 VanDerWaalsContact O-CG 3.24Å; V622-Y626 PolarHBondContact O-N 2.64Å; L623-Y626 PolarHBondContact O-N 2.81Å; N624-Y626 VanDerWaalsContact C-N 3.27Å; N624-Y626 PolarHBondContact O-N 3.06Å; Y626-S629 PolarHBondContact O-OG 2.96Å; Y626-S629 VanDerWaalsContact O-OG 3.14Å
627	M	77.9	Confident	65.3	Low	59 Å²	59	90 Å²	90	29%	0.291	51%	0.512	S	S	.	.	H	α-helix	trans	-69.4	-36.5	174.8	-70.6	-173.7	-66.9	0	0	111.8	T598 I608 L623 N624	T598-M627 HydrophobicContact CG2-CG 4.35Å; T598-M627 HydrophobicContact CG2-SD 3.9Å; I608-M627 HydrophobicContact CD1-CE 3.5Å; I608-M627 VanDerWaalsContact CD1-CE 3.5Å; L623-M627 PolarHBondContact O-N 3.25Å; L623-M627 WeakPolarHBondContact O-CG 3.38Å; N624-M627 PolarHBondContact O-N 2.76Å; N624-M627 VanDerWaalsContact OD1-CE 3.26Å; N624-M627 WeakPolarHBondContact OD1-CE 3.33Å
628	N	74.1	Confident	62.3	Low	132 Å²	132	89.9 Å²	89.9	71%	0.706	51%	0.514	S	S	*	.	H	α-helix	trans	-75.6	-25.1	178.2	-68.1	-20.4	0	0	0	113	N624 S625 K630	N624-N628 WeakPolarHBondContact O-CB 3.27Å; N624-N628 VanDerWaalsContact O-CG 3.22Å; N624-N628 PolarHBondContact O-N 2.88Å; N624-N628 PolarHBondContact O-ND2 3.17Å; S625-N628 PolarHBondContact O-N 3.32Å; N628-K630 PolarHBondContact O-N 3.01Å
629	S	62.9	Low	59.8	Low	60 Å²	60	93.1 Å²	93.1	42%	0.42	52%	0.524	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	13.8	-179.8	73.7	0	0	0	0	114.9	S625 Y626 T631	S625-S629 WeakPolarHBondContact O-CB 3.43Å; S625-S629 PolarHBondContact O-N 3.38Å; S625-S629 PolarHBondContact O-OG 3.07Å; Y626-S629 PolarHBondContact O-OG 2.96Å; Y626-S629 VanDerWaalsContact O-OG 3.14Å; S629-T631 PolarHBondContact O-N 3.26Å
630	K	48.9	Very low	56.8	Low	166 Å²	166	99 Å²	99	72%	0.722	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.6	6.2	-179.2	-100.6	-176.6	177.1	177.3	0	115.3	N628	N628-K630 PolarHBondContact O-N 3.01Å
631	T	36.2	Very low	54	Low	124 Å²	124	102.3 Å²	102.3	76%	0.761	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.5	-2.7	-177.7	36.4	0	0	0	0	116.4	S629	S629-T631 PolarHBondContact O-N 3.26Å
632	M	34.5	Very low	50.9	Low	171 Å²	171	105.3 Å²	105.3	84%	0.842	60%	0.601	S	S	*	*			trans	-138.4	67.9	-174.6	-74.2	-88.4	173.4	0	0	113.7
633	N	33	Very low	48	Very low	180 Å²	180	109.8 Å²	109.8	96%	0.963	63%	0.63	S	S	*	*			trans	-101.4	93	161.8	-91.2	-12.8	0	0	0	109.2
634	G	32.6	Very low	45.1	Very low	73 Å²	73	114.1 Å²	114.1	75%	0.753	67%	0.666	S	S	*	*			trans	-176.6	11.7	178.1	0	0	0	0	0	117	A636	G634-A636 PolarHBondContact O-N 2.82Å; G634-A636 VanDerWaalsContact O-N 3.11Å
635	A	27	Very low	42.3	Very low	95 Å²	95	119.4 Å²	119.4	79%	0.785	69%	0.693	S	S	*	*			trans	-80.9	95.4	174.4	0	0	0	0	0	110	I637	A635-I637 PolarHBondContact O-N 2.91Å; A635-I637 VanDerWaalsContact O-N 3.15Å
636	A	28.3	Very low	39.6	Very low	97 Å²	97	128.1 Å²	128.1	80%	0.802	73%	0.734	S	S	*	*			trans	-62.2	109.1	165.1	0	0	0	0	0	109	G634	G634-A636 PolarHBondContact O-N 2.82Å; G634-A636 VanDerWaalsContact O-N 3.11Å
637	I	32.8	Very low	37.4	Very low	119 Å²	119	132.2 Å²	132.2	61%	0.61	76%	0.762	S	S	*	*			trans	-90	112.1	164.9	-57.4	176.9	0	0	0	106.8	K558 A635 F639	K558-I637 PolarHBondContact NZ-O 3.5Å; A635-I637 PolarHBondContact O-N 2.91Å; A635-I637 VanDerWaalsContact O-N 3.15Å; I637-F639 PolarHBondContact O-N 3.09Å
638	E	26.5	Very low	35.3	Very low	161 Å²	161	136.1 Å²	136.1	75%	0.752	79%	0.787	S	S	*	*			trans	-64.4	116.1	168.8	-77.4	-174.4	154.3	0	0	109.1	T640	E638-T640 HydrophobicContact CB-CG2 4.41Å; E638-T640 PolarHBondContact O-N 2.89Å
639	F	35.3	Very low	33.1	Very low	161 Å²	161	136.3 Å²	136.3	71%	0.706	79%	0.791	S	S	*	*			trans	-89.7	88.7	162.4	-76	-85.8	0	0	0	106.4	I637 A641	I637-F639 PolarHBondContact O-N 3.09Å; F639-A641 PolarHBondContact O-N 3.37Å
640	T	28.3	Very low	31.4	Very low	125 Å²	125	140.8 Å²	140.8	77%	0.767	81%	0.813	S	S	*	*			trans	-79	102.7	169.9	43.7	0	0	0	0	108.5	E638	E638-T640 HydrophobicContact CB-CG2 4.41Å; E638-T640 PolarHBondContact O-N 2.89Å
641	A	30.4	Very low	30.3	Very low	91 Å²	91	139.2 Å²	139.2	75%	0.752	82%	0.819	S	S	*	*			trans	-115.3	113	159.2	0	0	0	0	0	107.2	F639	F639-A641 PolarHBondContact O-N 3.37Å
642	K	24.7	Very low	29.9	Very low	198 Å²	198	140.2 Å²	140.2	86%	0.861	82%	0.823	S	S	*	*			trans	-52.1	134.6	170.9	-72.2	177.9	176.6	178.7	0	108.4	A644	K642-A644 PolarHBondContact O-N 2.85Å
643	P	27.4	Very low	29.5	Very low	125 Å²	125	138 Å²	138	81%	0.812	82%	0.821	S	S	*	*			trans	-58.7	116.6	169.8	23.7	-29.9	0	0	0	107.7	L645	P643-L645 PolarHBondContact O-N 2.96Å
644	A	28.2	Very low	29.3	Very low	93 Å²	93	134.8 Å²	134.8	77%	0.769	81%	0.81	S	S	*	*			trans	-68.4	114.1	166.4	0	0	0	0	0	106.3	K642 L646	K642-A644 PolarHBondContact O-N 2.85Å; A644-L646 PolarHBondContact O-N 3.08Å
645	L	29.1	Very low	29	Very low	173 Å²	173	139.9 Å²	139.9	91%	0.906	82%	0.815	S	S	*	*			trans	-54.8	115	162.8	-80.5	152.1	0	0	0	107.9	P643	P643-L645 PolarHBondContact O-N 2.96Å
646	L	30.2	Very low	29.2	Very low	241 Å²	241	144 Å²	144	100%	1.262	82%	0.818	S	S	*	*			trans	-130.3	0	148.6	-82.9	170.9	0	0	0	107.3	A644	A644-L646 PolarHBondContact O-N 3.08Å

Retrieved 646 of 646 residues in 1018 ms (Link to these results)

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