A0A096N3S7_PAPAN Loading...

Zinc finger and BTB domain-containing protein 41

May be involved in transcriptional regulation.

AlphaFold DB , UniProt , Accession A0A096N3S7, Species PAPAN (Papio anubis, Olive baboon), Gene ZBTB41, Length 908 aa.

						>A0A096N3S7_PAPAN|A0A096N3S7|ZBTB41
MKKRRKVTSNLEKIHLGYHKDSSEGNVAVECDQVTYTHSAERPTPEALHCYQELPPSPDQRKLLSSLQYNKNLLKYLNDDRQKQPSFCDLLIIVEGKEFSAHKVVVAVGSSYFHACLSKNPSTDVVTLDHVTHSVFQHLLEFLYTSEFFVYKYEIPLVLEAAKFLDIIDAVKLLNNENVASFHSELAEKSSPEETLNELTGRLSNNHQCKFCSRHFCYKKSLENHLAKTHRSLLLGKKHGLKMLERSFSTRRSKRNRKCPVKFDDTSDDEQESGDGSDNLNQENFDKEKSDRNDSEDPGSEYNAEEDELEEEMSDEYSDIEEQSEKDHNDAEEEPEAGDSVGNIHEGLTPVVIQNSNKKILQCPKCDKTFDRIGKYESHTRVHTGEKPFECDICHQRYSTKSNLTVHRKKHSNETEFHKKEHKCPYCNKLHASKKTLAKHVKRFHPENAQEFISIKKTKSESWKCDICKKSFTRRPHLEEHMILHSQDKPFKCTYCEEHFKSRFARLKHQEKFHLGPFPCDICGRQFNDTGNLKRHIECTHGGKRKWTCFICGKSVRERTTLKEHLRIHSGEKPHLCSICGQSFRHGSSYRLHLRVHHDDKRYECDECGKTFIRHDHLTKHKKIHSGEKAHQCEECGKCFGRRDHLTVHYKSVHLGEKVWQKYKATFHQCDVCKKIFKGKSSLEMHFRTHSGEKPYKCQICNQSFRIKKTLTKHLVIHSDARPFNCQHCNATFKRKDKLKYHIDHVHEIKSPDDPLSTSEEKLVSLPVEYSSDDKIFQTETKQYMDQPKVYQSEAKTMLQNVSAEVCVPVTLVPVQMPDTPSDLVRHTTTLPPSSHEILSSQPQSTDYPRAADLAFLEKYTLTPQPANIVHPVRPEQMLDPREQSYLGTLLGLDSTTGVQNISTNEHH
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.5	Very low	30.5	Very low	245 Å²	245	173.5 Å²	173.5	100%	1.207	83%	0.833	S	S	*	*				0	160.9	0	-95.5	-168.9	174.3	0	0	110.4
2	K	30.7	Very low	30.3	Very low	191 Å²	191	173.3 Å²	173.3	83%	0.83	83%	0.829	S	S	*	*			trans	-16.9	137.8	160.6	-67.1	165.1	-175.4	172.9	0	115.1
3	K	28.9	Very low	30.1	Very low	182 Å²	182	174.9 Å²	174.9	79%	0.791	83%	0.831	S	S	*	*			cis	-149.7	139.9	5.3	-94.3	160.2	178.6	179	0	107.6
4	R	34.3	Very low	30	Very low	230 Å²	230	173.8 Å²	173.8	87%	0.868	83%	0.83	S	S	*	*				54.3	130.3	85	-81.2	-176.8	174.2	-174.1	-2.2	113.6
5	R	32	Very low	29.6	Very low	236 Å²	236	173.8 Å²	173.8	89%	0.891	83%	0.828	S	S	*	*			cis	-146.8	151.6	42.2	-121.3	162.6	-176.6	159.6	-3.1	115.5
6	K	32	Very low	29.4	Very low	175 Å²	175	172.8 Å²	172.8	76%	0.761	83%	0.828	S	S	*	*			trans	-72.7	171.4	162.5	-92.8	-178.1	172	-177.5	0	110.7	T8	K6-T8 HydrophobicContact CD-CG2 4.04Å; K6-T8 HydrophobicContact CG-CG2 4.26Å
7	V	28.8	Very low	29.1	Very low	127 Å²	127	166 Å²	166	77%	0.77	81%	0.814	S	S	*	*				-171.9	110.3	74	156.6	0	0	0	0	106.5
8	T	29.1	Very low	28.8	Very low	101 Å²	101	168.6 Å²	168.6	62%	0.62	82%	0.815	S	S	*	*				76.4	135.1	75.6	58.2	0	0	0	0	116.8	K6	K6-T8 HydrophobicContact CD-CG2 4.04Å; K6-T8 HydrophobicContact CG-CG2 4.26Å
9	S	34.8	Very low	28.7	Very low	110 Å²	110	167.9 Å²	167.9	77%	0.769	81%	0.81	S	S	*	*			trans	-69.8	172.4	176.1	51.8	0	0	0	0	114.7
10	N	23.6	Very low	28.5	Very low	168 Å²	168	168 Å²	168	90%	0.898	81%	0.806	S	S	*	*			trans	-144.6	167.1	157.9	-109.7	-14.3	0	0	0	112.3
11	L	29	Very low	28.4	Very low	144 Å²	144	165.5 Å²	165.5	75%	0.754	80%	0.798	S	S	*	*			trans	-140.2	164	-166.3	-151.4	77.4	0	0	0	111.3
12	E	27.5	Very low	28.2	Very low	170 Å²	170	158.7 Å²	158.7	79%	0.794	77%	0.774	S	S	*	*			trans	60.5	104.4	155.4	-82.4	162.7	-179.7	0	0	123
13	K	28.5	Very low	28	Very low	195 Å²	195	154.6 Å²	154.6	85%	0.848	77%	0.769	S	S	*	*			trans	-1	143.8	131.1	-64.3	173.8	161.2	-179.8	0	120
14	I	28.1	Very low	28	Very low	159 Å²	159	155.1 Å²	155.1	82%	0.815	77%	0.774	S	S	*	*				158	112.3	112	-77.7	-162.7	0	0	0	113.5
15	H	24.7	Very low	27.7	Very low	174 Å²	174	147.5 Å²	147.5	81%	0.806	77%	0.768	S	S	*	*			trans	64.2	159.8	144.3	-114.4	33.6	0	0	0	127.3
16	L	25.5	Very low	27.5	Very low	158 Å²	158	143.5 Å²	143.5	83%	0.827	76%	0.764	S	S	*	*			trans	68.7	143.3	172.2	-63.9	158.5	0	0	0	117.4
17	G	24.5	Very low	27.1	Very low	57 Å²	57	141.6 Å²	141.6	59%	0.588	77%	0.767	S	S	*	*			cis	167.9	168.2	-8	0	0	0	0	0	112.5
18	Y	24.4	Very low	27	Very low	212 Å²	212	140 Å²	140	83%	0.831	77%	0.768	S	S	*	*			trans	69.6	150.6	172.1	-67.6	-94.2	0	0	0	118.2
19	H	26.9	Very low	27.2	Very low	157 Å²	157	141.8 Å²	141.8	73%	0.727	78%	0.778	S	S	*	*			cis	-170	157.3	-28.9	-139.2	-98.7	0	0	0	110.3
20	K	25.3	Very low	26.7	Very low	169 Å²	169	146 Å²	146	74%	0.735	79%	0.785	S	S	*	*			trans	160.3	113.9	148.7	-92.7	-163.4	164.6	-90.6	0	110
21	D	25.9	Very low	26.8	Very low	116 Å²	116	142.7 Å²	142.7	62%	0.62	77%	0.774	S	S	*	*				88	132.1	92.7	-64.9	-1.1	0	0	0	112.2
22	S	27.7	Very low	26.6	Very low	102 Å²	102	141.8 Å²	141.8	71%	0.713	77%	0.77	S	S	*	*			cis	-163.6	162.7	-4.2	55.5	0	0	0	0	112.1
23	S	27	Very low	26.6	Very low	104 Å²	104	140.9 Å²	140.9	73%	0.727	77%	0.766	S	S	*	*			trans	60.6	151.5	153.7	56.6	0	0	0	0	120.7
24	E	28.7	Very low	26.5	Very low	193 Å²	193	138.5 Å²	138.5	90%	0.902	77%	0.767	S	S	*	*			cis	-169.5	153.1	-37.4	-133.8	169.7	-149.3	0	0	108.6
25	G	27.5	Very low	26.4	Very low	71 Å²	71	135.9 Å²	135.9	73%	0.732	76%	0.759	S	S	*	*			trans	167.6	109.5	176.1	0	0	0	0	0	115.2
26	N	27.1	Very low	26.4	Very low	151 Å²	151	137.3 Å²	137.3	81%	0.807	76%	0.759	S	S	*	*			trans	-85.1	165.9	176.8	-59.6	-68.5	0	0	0	110.4
27	V	25.3	Very low	26.4	Very low	135 Å²	135	135.7 Å²	135.7	82%	0.818	76%	0.755	S	S	*	*				-163.1	145.8	51.2	164.8	0	0	0	0	111.6
28	A	26.6	Very low	26.5	Very low	95 Å²	95	141.7 Å²	141.7	79%	0.785	77%	0.768	S	S	*	*			trans	27.4	161.9	152.2	0	0	0	0	0	124.7
29	V	31.6	Very low	26.4	Very low	138 Å²	138	136.8 Å²	136.8	84%	0.836	77%	0.765	S	S	*	*			trans	-111.3	143.9	-179.6	173.3	0	0	0	0	109.8
30	E	24.6	Very low	26.4	Very low	197 Å²	197	133.6 Å²	133.6	92%	0.921	77%	0.765	S	S	*	*			trans	-151.8	-179.7	145.8	-138.7	159.7	-150.9	0	0	111.5
31	C	26.3	Very low	26.3	Very low	100 Å²	100	134.7 Å²	134.7	68%	0.676	77%	0.773	S	S	*	*			trans	-126.9	-177	-155.8	-145.2	0	0	0	0	115.3
32	D	25.3	Very low	26.4	Very low	124 Å²	124	140.6 Å²	140.6	66%	0.663	79%	0.787	S	S	*	*			trans	85.6	127.1	157.6	-87.5	-44.9	0	0	0	123.4
33	Q	26.2	Very low	26.6	Very low	151 Å²	151	141.8 Å²	141.8	71%	0.706	79%	0.792	S	S	*	*			trans	63.2	111.5	138	-72.2	164	56	0	0	122
34	V	28.1	Very low	26.5	Very low	145 Å²	145	142.8 Å²	142.8	88%	0.879	79%	0.794	S	S	*	*			trans	-74.2	121.9	150.6	176.6	0	0	0	0	109.3
35	T	24.8	Very low	27	Very low	104 Å²	104	138.3 Å²	138.3	64%	0.638	78%	0.782	S	S	*	*			trans	-119.4	114.1	161	47.1	0	0	0	0	109.8
36	Y	24.6	Very low	26.8	Very low	205 Å²	205	143.3 Å²	143.3	80%	0.804	79%	0.786	S	S	*	*				-177.8	133.2	105.1	-112.8	-87.8	0	0	0	110.5
37	T	25.2	Very low	26.8	Very low	123 Å²	123	140.6 Å²	140.6	76%	0.755	78%	0.784	S	S	*	*			trans	-88.1	140.9	162.3	44	0	0	0	0	109.1
38	H	26.6	Very low	26.9	Very low	183 Å²	183	142.4 Å²	142.4	85%	0.847	79%	0.788	S	S	*	*			trans	-145.5	136.4	146.5	-116.6	-81.2	0	0	0	109.3
39	S	24.1	Very low	27.1	Very low	110 Å²	110	146.3 Å²	146.3	77%	0.769	79%	0.79	S	S	*	*			trans	-112.1	147.5	178.5	-54.8	0	0	0	0	109.6
40	A	25.9	Very low	26.7	Very low	89 Å²	89	143.5 Å²	143.5	74%	0.736	78%	0.775	S	S	*	*				147	165.8	128.5	0	0	0	0	0	113.4
41	E	24.2	Very low	26.9	Very low	193 Å²	193	145.6 Å²	145.6	90%	0.902	78%	0.777	S	S	*	*			trans	79.8	118	158.9	-44.8	-148.5	141.1	0	0	119.7
42	R	27.9	Very low	27	Very low	240 Å²	240	148.2 Å²	148.2	91%	0.906	78%	0.779	S	S	*	*			trans	-79.7	151.7	160.5	-80.1	-178.9	176.8	-178.8	-0.2	107.9
43	P	31	Very low	27.1	Very low	126 Å²	126	151.8 Å²	151.8	82%	0.818	79%	0.792	S	S	*	*				-148.1	173.3	70.2	38.6	-18.4	0	0	0	118.3
44	T	25.1	Very low	27.3	Very low	125 Å²	125	151.4 Å²	151.4	77%	0.767	79%	0.794	S	S	*	*			trans	-62.6	166.4	161.5	47.5	0	0	0	0	112.1
45	P	38.5	Very low	27.7	Very low	100 Å²	100	149.9 Å²	149.9	65%	0.649	79%	0.787	S	S	*	*			cis	-147.5	-157.9	31.4	44.2	-22.5	0	0	0	117
46	E	24.9	Very low	28.3	Very low	176 Å²	176	151 Å²	151	82%	0.822	80%	0.796	S	S	*	*			trans	79.6	85.6	153	-77.7	159.4	-144	0	0	121.3
47	A	27	Very low	28.7	Very low	94 Å²	94	145.5 Å²	145.5	78%	0.777	79%	0.787	S	S	*	*				49.7	124.7	121.4	0	0	0	0	0	122
48	L	27	Very low	29.6	Very low	172 Å²	172	144.4 Å²	144.4	90%	0.901	78%	0.782	S	S	*	*				-158.1	147.8	108.8	-108	166.7	0	0	0	113.4
49	H	29.9	Very low	30.3	Very low	178 Å²	178	142.4 Å²	142.4	82%	0.824	78%	0.778	S	S	*	*			trans	-72.3	166.1	167	-92.8	-114.3	0	0	0	110.6
50	C	23.6	Very low	31.5	Very low	78 Å²	78	142.2 Å²	142.2	53%	0.527	77%	0.765	S	S	.	*			cis	-179.6	141.7	-16	163.7	0	0	0	0	107.4
51	Y	27.9	Very low	32.6	Very low	241 Å²	241	145.7 Å²	145.7	95%	0.945	76%	0.759	S	S	*	*			trans	-139.4	147.4	148.8	-93.5	-73.7	0	0	0	110.5
52	Q	30.3	Very low	34.1	Very low	156 Å²	156	140.8 Å²	140.8	73%	0.729	74%	0.735	S	S	*	*			trans	-97.3	139.1	-178.3	-61.5	161.5	-101.8	0	0	109.9
53	E	27.4	Very low	35.2	Very low	198 Å²	198	133.9 Å²	133.9	93%	0.925	72%	0.715	S	S	*	*			trans	-104.4	141.8	146.2	-68.9	-161.4	134.4	0	0	108.9
54	L	30.1	Very low	36.5	Very low	144 Å²	144	129 Å²	129	75%	0.754	68%	0.682	S	S	*	*	P	Polyproline II helix	trans	-84.7	156.8	-178.3	-90.7	79	0	0	0	111.2
55	P	36.8	Very low	37.9	Very low	113 Å²	113	125.8 Å²	125.8	73%	0.734	67%	0.665	S	S	*	*	P	Polyproline II helix	trans	-65.1	148.1	-179.6	27.5	-35.9	0	0	0	112.4
56	P	36.9	Very low	38.7	Very low	127 Å²	127	121.4 Å²	121.4	83%	0.825	64%	0.637	S	S	*	*	P	Polyproline II helix	trans	-62.8	151.4	172.8	27.6	-34.9	0	0	0	111.7
57	S	32.6	Very low	39.9	Very low	89 Å²	89	120.6 Å²	120.6	62%	0.622	64%	0.637	S	S	*	*	P	Polyproline II helix	trans	-70.5	161.4	-169.6	71.6	0	0	0	0	114.1	D59	S57-D59 VanDerWaalsContact C-N 3.32Å; S57-D59 PolarHBondContact O-N 3.24Å
58	P	43.1	Very low	41.1	Very low	100 Å²	100	123 Å²	123	65%	0.649	63%	0.632	S	S	*	*	S	Bend	trans	-72.7	-16.9	-172.6	-19.4	34.3	0	0	0	115.7	Q60	P58-Q60 VanDerWaalsContact C-N 3.3Å; P58-Q60 PolarHBondContact O-N 3.42Å
59	D	41.9	Very low	42.5	Very low	142 Å²	142	119 Å²	119	76%	0.759	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.2	26.4	-150.5	-65.5	-43	0	0	0	116.8	S57	S57-D59 VanDerWaalsContact C-N 3.32Å; S57-D59 PolarHBondContact O-N 3.24Å
60	Q	49.1	Very low	44.1	Very low	105 Å²	105	116.4 Å²	116.4	49%	0.491	60%	0.598	S	S	.	*	T	Hydrogen-bonded Turn	trans	-128.8	15	174.4	-63.7	-155	25.3	0	0	115.7	P58 K62	P58-Q60 VanDerWaalsContact C-N 3.3Å; P58-Q60 PolarHBondContact O-N 3.42Å; Q60-K62 PolarHBondContact O-N 3.27Å
61	R	48.5	Very low	46	Very low	163 Å²	163	116.2 Å²	116.2	62%	0.615	59%	0.588	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-82.3	108.6	169.9	-68	-178.3	176.7	173.7	0.2	110.9	Y151	R61-Y151 HydrophobicContact CG-CD1 4.46Å; R61-Y151 HydrophobicContact CG-CE1 3.96Å; R61-Y151 PolarHBondContact NE-OH 3.36Å; R61-Y151 PolarHBondContact NH2-OH 3.16Å
62	K	56.5	Low	47.9	Very low	90 Å²	90	109.8 Å²	109.8	39%	0.391	57%	0.57	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-87.8	139.1	167.1	-85.9	-164.4	170.3	-166.3	0	110.4	Q60 E177	Q60-K62 PolarHBondContact O-N 3.27Å; K62-E177 VanDerWaalsContact CD-OE2 3.32Å; K62-E177 WeakPolarHBondContact CD-OE2 3.44Å; K62-E177 WeakPolarHBondContact CE-OE2 3.34Å; K62-E177 IonicContact NZ-OE1 3.95Å; K62-E177 PolarHBondContact NZ-OE1 3.41Å; K62-E177 VanDerWaalsContact NZ-OE1 3.12Å; K62-E177 IonicContact NZ-OE2 2.59Å; K62-E177 PolarHBondContact NZ-OE2 3.08Å
63	L	52.3	Low	49.7	Very low	94 Å²	94	107.1 Å²	107.1	49%	0.492	56%	0.56	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-101.6	107.2	171.7	175.2	55.2	0	0	0	110.2	E147 F148 F149	L63-E147 HydrophobicContact CD1-CB 3.75Å; L63-E147 HydrophobicContact CD1-CG 3.9Å; L63-F148 WeakPolarHBondContact CA-O 3.24Å; L63-F149 HydrophobicContact CB-CE1 4.31Å; L63-F149 HydrophobicContact CD1-CD1 4.29Å; L63-F149 HydrophobicContact CD1-CD2 4.46Å; L63-F149 HydrophobicContact CD1-CE1 3.81Å; L63-F149 HydrophobicContact CD1-CE2 3.99Å; L63-F149 HydrophobicContact CD1-CZ 3.64Å; L63-F149 HydrophobicContact CD2-CE1 4.25Å; L63-F149 HydrophobicContact CD2-CZ 4.25Å; L63-F149 HydrophobicContact CG-CE1 4.34Å; L63-F149 HydrophobicContact CG-CZ 4.47Å
64	L	57.4	Low	51.7	Low	25 Å²	25	98.7 Å²	98.7	13%	0.131	52%	0.521	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	127.6	170.3	-51.4	175.6	0	0	0	108.6	E147 F148 L174 E177	L64-E147 CarbonylContact O-C 3.59Å; L64-E147 WeakPolarHBondContact O-CA 3.47Å; L64-F148 HydrophobicContact CB-CB 4.21Å; L64-F148 PolarHBondContact N-O 3.28Å; L64-F148 PolarHBondContact O-N 3.17Å; L64-L174 HydrophobicContact CD1-CD2 3.99Å; L64-E177 HydrophobicContact CD1-CG 4.23Å; L64-E177 HydrophobicContact CD2-CG 3.88Å
65	S	55	Low	53.5	Low	56 Å²	56	98.1 Å²	98.1	39%	0.392	51%	0.513	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	136.4	-177.6	86.8	0	0	0	0	114.1	S146	S65-S146 CarbonylContact C-O 3.59Å; S65-S146 VanDerWaalsContact CA-O 3.31Å; S65-S146 WeakPolarHBondContact CA-O 3.49Å
66	S	55.6	Low	55.2	Low	9 Å²	9	99.7 Å²	99.7	6%	0.063	51%	0.505	C	S	.	.			trans	-91.3	135.9	170	-176.9	0	0	0	0	111	S146	S66-S146 PolarHBondContact N-O 2.87Å
67	L	49.2	Very low	56.7	Low	158 Å²	158	95.4 Å²	95.4	83%	0.827	48%	0.475	S	S	*	.	S	Bend	trans	-92.2	0.5	-180	-101.8	158.2	0	0	0	113.7
68	Q	51.9	Low	58.7	Low	146 Å²	146	91.8 Å²	91.8	68%	0.682	45%	0.449	S	S	*	.	S	Bend	trans	-83.2	-21.8	-166.4	-57.7	-165.7	22.7	0	0	114.6
69	Y	57.5	Low	60	Low	88 Å²	88	89.4 Å²	89.4	35%	0.345	43%	0.431	S	S	.	.	S	Bend	trans	-105.5	155.4	-174.7	-59.1	-81.5	0	0	0	113.3	K71 L74 S146 D169	Y69-K71 PolarHBondContact O-N 2.83Å; Y69-L74 HydrophobicContact CG-CD1 4.1Å; Y69-S146 WeakPolarHBondContact CD2-OG 3.25Å; Y69-D169 PolarHBondContact OH-OD2 2.92Å; Y69-D169 VanDerWaalsContact OH-OD2 3.13Å
70	N	62.6	Low	61.4	Low	122 Å²	122	84.4 Å²	84.4	65%	0.652	40%	0.404	S	S	*	.			trans	-72.4	88.9	176.9	-85.7	-73.3	0	0	0	110.6	N72 L73 L74	N70-N72 PolarHBondContact O-N 3.31Å; N70-L73 HydrophobicContact CB-CB 4.17Å; N70-L73 PolarHBondContact O-N 2.81Å; N70-L74 PolarHBondContact O-N 2.92Å; N70-L74 VanDerWaalsContact O-N 3.15Å
71	K	64.3	Low	62.7	Low	74 Å²	74	81 Å²	81	32%	0.322	39%	0.387	S	S	.	.	H	α-helix	trans	-48.1	-32.3	-178.5	-64.2	-162.1	175.6	-168.2	0	114.8	Y69 K75 E147	Y69-K71 PolarHBondContact O-N 2.83Å; K71-K75 WeakPolarHBondContact O-CB 3.49Å; K71-K75 PolarHBondContact O-N 3.01Å; K71-E147 IonicContact NZ-OE1 4Å; K71-E147 PolarHBondContact NZ-OE1 2.95Å
72	N	66.4	Low	63.6	Low	107 Å²	107	79.5 Å²	79.5	57%	0.572	39%	0.386	S	S	*	.	H	α-helix	trans	-68.6	-32.5	176.7	-41.9	-101.3	0	0	0	113.2	N70 Y76 K429	N70-N72 PolarHBondContact O-N 3.31Å; N72-Y76 WeakPolarHBondContact O-CB 3.46Å; N72-Y76 PolarHBondContact O-N 3.17Å; N72-K429 PolarHBondContact OD1-NZ 2.99Å
73	L	68.2	Low	64.1	Low	99 Å²	99	81.4 Å²	81.4	52%	0.518	40%	0.395	S	S	.	.	H	α-helix	trans	-81.5	-44.8	177.9	175.4	62.4	0	0	0	111	N70 K75 Y76 L77	N70-L73 HydrophobicContact CB-CB 4.17Å; N70-L73 PolarHBondContact O-N 2.81Å; L73-K75 VanDerWaalsContact C-N 3.34Å; L73-K75 PolarHBondContact O-N 3.13Å; L73-Y76 WeakPolarHBondContact O-CB 3.36Å; L73-Y76 PolarHBondContact O-N 2.72Å; L73-L77 HydrophobicContact CD1-CD1 4.22Å; L73-L77 HydrophobicContact CD1-CG 4.4Å; L73-L77 HydrophobicContact CG-CD1 4.18Å; L73-L77 WeakPolarHBondContact O-CG 3.27Å; L73-L77 PolarHBondContact O-N 3.32Å
74	L	70.4	Confident	64.5	Low	21 Å²	21	81.4 Å²	81.4	11%	0.11	39%	0.392	C	S	.	.	H	α-helix	trans	-61.3	-44.1	175.3	-71.1	-174.3	0	0	0	111.1	Y69 N70 Y76 L77 N78 Y144 S146	Y69-L74 HydrophobicContact CG-CD1 4.1Å; N70-L74 PolarHBondContact O-N 2.92Å; N70-L74 VanDerWaalsContact O-N 3.15Å; L74-Y76 PolarHBondContact O-N 3.42Å; L74-L77 PolarHBondContact O-N 2.97Å; L74-N78 WeakPolarHBondContact O-CB 3.41Å; L74-N78 PolarHBondContact O-N 2.98Å; L74-Y144 CarbonylContact C-O 3.59Å; L74-Y144 VanDerWaalsContact C-O 3.3Å; L74-Y144 WeakPolarHBondContact CB-O 3.38Å; L74-S146 WeakPolarHBondContact CD1-OG 3.43Å
75	K	68.3	Low	64.7	Low	133 Å²	133	84.1 Å²	84.1	58%	0.578	41%	0.411	S	S	*	.	H	α-helix	trans	-58.5	-44.1	172	-179.4	163.5	-177.4	162.3	0	112.4	K71 L73 L77 N78 D79	K71-K75 WeakPolarHBondContact O-CB 3.49Å; K71-K75 PolarHBondContact O-N 3.01Å; L73-K75 VanDerWaalsContact C-N 3.34Å; L73-K75 PolarHBondContact O-N 3.13Å; K75-L77 VanDerWaalsContact C-N 3.34Å; K75-L77 PolarHBondContact O-N 3.2Å; K75-N78 WeakPolarHBondContact O-CB 3.42Å; K75-N78 PolarHBondContact O-N 3.13Å; K75-D79 WeakPolarHBondContact CE-OD1 3.32Å; K75-D79 WeakPolarHBondContact CG-OD1 3.49Å; K75-D79 VanDerWaalsContact O-CB 3.31Å; K75-D79 WeakPolarHBondContact O-CB 3.35Å; K75-D79 PolarHBondContact O-N 3.19Å
76	Y	71.3	Confident	64.8	Low	145 Å²	145	86.2 Å²	86.2	57%	0.569	43%	0.426	S	S	*	.	H	α-helix	trans	-56.6	-48	175.6	176.1	-88.5	0	0	0	111.6	N72 L73 L74 N78 D79 D80	N72-Y76 WeakPolarHBondContact O-CB 3.46Å; N72-Y76 PolarHBondContact O-N 3.17Å; L73-Y76 WeakPolarHBondContact O-CB 3.36Å; L73-Y76 PolarHBondContact O-N 2.72Å; L74-Y76 PolarHBondContact O-N 3.42Å; Y76-N78 VanDerWaalsContact C-N 3.29Å; Y76-N78 PolarHBondContact O-N 2.83Å; Y76-D79 WeakPolarHBondContact O-CB 3.34Å; Y76-D79 PolarHBondContact O-N 3.43Å; Y76-D80 WeakPolarHBondContact O-CB 3.32Å; Y76-D80 PolarHBondContact O-N 2.86Å
77	L	69.7	Low	65	Low	37 Å²	37	92.2 Å²	92.2	19%	0.194	45%	0.451	C	S	.	.	H	α-helix	trans	-68	-26.1	179.1	-65	167.9	0	0	0	113.2	L73 L74 K75 R81 V105 Y144	L73-L77 HydrophobicContact CD1-CD1 4.22Å; L73-L77 HydrophobicContact CD1-CG 4.4Å; L73-L77 HydrophobicContact CG-CD1 4.18Å; L73-L77 WeakPolarHBondContact O-CG 3.27Å; L73-L77 PolarHBondContact O-N 3.32Å; L74-L77 PolarHBondContact O-N 2.97Å; K75-L77 VanDerWaalsContact C-N 3.34Å; K75-L77 PolarHBondContact O-N 3.2Å; L77-R81 VanDerWaalsContact O-CB 3.31Å; L77-R81 WeakPolarHBondContact O-CB 3.46Å; L77-R81 PolarHBondContact O-N 3.48Å; L77-R81 VanDerWaalsContact O-N 3.1Å; L77-V105 HydrophobicContact CD1-CG2 3.84Å; L77-Y144 HydrophobicContact CB-CD1 4.2Å; L77-Y144 HydrophobicContact CB-CE1 4.05Å
78	N	74.3	Confident	66.1	Low	14 Å²	14	85.6 Å²	85.6	8%	0.075	42%	0.418	C	S	.	.	H	α-helix	trans	-74.2	-48.4	173.3	-162.7	21.3	0	0	0	111.4	L74 K75 Y76 D80 R81 Q82 Y144	L74-N78 WeakPolarHBondContact O-CB 3.41Å; L74-N78 PolarHBondContact O-N 2.98Å; K75-N78 WeakPolarHBondContact O-CB 3.42Å; K75-N78 PolarHBondContact O-N 3.13Å; Y76-N78 VanDerWaalsContact C-N 3.29Å; Y76-N78 PolarHBondContact O-N 2.83Å; N78-D80 PolarHBondContact O-N 3.23Å; N78-R81 PolarHBondContact O-N 2.9Å; N78-R81 PolarHBondContact OD1-NE 2.95Å; N78-R81 PolarHBondContact OD1-NH2 3.06Å; N78-Q82 WeakPolarHBondContact O-CB 3.22Å; N78-Q82 WeakPolarHBondContact O-CG 3.18Å; N78-Q82 PolarHBondContact O-N 3.44Å; N78-Y144 HydrophobicContact CB-CD1 4.08Å; N78-Y144 HydrophobicContact CB-CG 4.45Å
79	D	69.8	Low	67.2	Low	49 Å²	49	83.1 Å²	83.1	26%	0.262	41%	0.409	S	S	.	.	H	α-helix	trans	-55.6	-38.1	172.4	-93.9	64.4	0	0	0	111.2	K75 Y76 K83	K75-D79 WeakPolarHBondContact CE-OD1 3.32Å; K75-D79 WeakPolarHBondContact CG-OD1 3.49Å; K75-D79 VanDerWaalsContact O-CB 3.31Å; K75-D79 WeakPolarHBondContact O-CB 3.35Å; K75-D79 PolarHBondContact O-N 3.19Å; Y76-D79 WeakPolarHBondContact O-CB 3.34Å; Y76-D79 PolarHBondContact O-N 3.43Å; D79-K83 WeakPolarHBondContact O-CB 3.43Å; D79-K83 WeakPolarHBondContact O-CD 3.36Å; D79-K83 VanDerWaalsContact O-CE 3.29Å; D79-K83 WeakPolarHBondContact O-CE 3.46Å; D79-K83 WeakPolarHBondContact O-CG 3.4Å; D79-K83 PolarHBondContact O-N 2.9Å; D79-K83 IonicContact OD2-NZ 2.68Å; D79-K83 PolarHBondContact OD2-NZ 3.17Å
80	D	72.2	Confident	68.4	Low	37 Å²	37	79 Å²	79	20%	0.198	39%	0.394	C	S	.	.	H	α-helix	trans	-71.8	-51.1	179.8	-151.6	37.2	0	0	0	111.3	Y76 N78 Q82 K83 Q84	Y76-D80 WeakPolarHBondContact O-CB 3.32Å; Y76-D80 PolarHBondContact O-N 2.86Å; N78-D80 PolarHBondContact O-N 3.23Å; D80-Q82 PolarHBondContact O-N 3.23Å; D80-Q82 VanDerWaalsContact O-N 3.17Å; D80-K83 PolarHBondContact O-N 3.41Å; D80-Q84 PolarHBondContact O-N 3.49Å
81	R	74.4	Confident	69.4	Low	34 Å²	34	75.4 Å²	75.4	13%	0.128	37%	0.374	C	S	.	.	H	α-helix	trans	-49.9	-40.9	172.1	175.6	178.9	70.9	135.5	-3.5	112.6	L77 N78 S100 L140 Y144	L77-R81 VanDerWaalsContact O-CB 3.31Å; L77-R81 WeakPolarHBondContact O-CB 3.46Å; L77-R81 PolarHBondContact O-N 3.48Å; L77-R81 VanDerWaalsContact O-N 3.1Å; N78-R81 PolarHBondContact O-N 2.9Å; N78-R81 PolarHBondContact OD1-NE 2.95Å; N78-R81 PolarHBondContact OD1-NH2 3.06Å; R81-S100 VanDerWaalsContact CD-O 3.28Å; R81-S100 WeakPolarHBondContact CD-O 3.13Å; R81-L140 VanDerWaalsContact NH1-CD2 3.27Å; R81-Y144 HydrophobicContact CB-CE1 4.44Å
82	Q	67.9	Low	70.3	Confident	131 Å²	131	71.9 Å²	71.9	61%	0.612	36%	0.359	S	S	*	.	H	α-helix	trans	-77.8	-18.1	-179.7	-72.6	179.8	-9.5	0	0	114.3	N78 D80	N78-Q82 WeakPolarHBondContact O-CB 3.22Å; N78-Q82 WeakPolarHBondContact O-CG 3.18Å; N78-Q82 PolarHBondContact O-N 3.44Å; D80-Q82 PolarHBondContact O-N 3.23Å; D80-Q82 VanDerWaalsContact O-N 3.17Å
83	K	67.3	Low	71	Confident	130 Å²	130	68.9 Å²	68.9	57%	0.565	34%	0.342	S	S	*	.	H	α-helix	trans	-108.1	-26.1	-176	-68.7	166.6	-157.3	165.3	0	113.9	D79 D80	D79-K83 WeakPolarHBondContact O-CB 3.43Å; D79-K83 WeakPolarHBondContact O-CD 3.36Å; D79-K83 VanDerWaalsContact O-CE 3.29Å; D79-K83 WeakPolarHBondContact O-CE 3.46Å; D79-K83 WeakPolarHBondContact O-CG 3.4Å; D79-K83 PolarHBondContact O-N 2.9Å; D79-K83 IonicContact OD2-NZ 2.68Å; D79-K83 PolarHBondContact OD2-NZ 3.17Å; D80-K83 PolarHBondContact O-N 3.41Å
84	Q	61.5	Low	71.8	Confident	94 Å²	94	64.2 Å²	64.2	44%	0.439	32%	0.318	S	S	.	.			trans	-140.2	73.1	-176.6	-66.6	-71	-72.6	0	0	109.4	D80 S86 F87	D80-Q84 PolarHBondContact O-N 3.49Å; Q84-S86 PolarHBondContact O-N 3.31Å; Q84-S86 VanDerWaalsContact O-N 3.08Å; Q84-F87 HydrophobicContact CB-CB 4.29Å; Q84-F87 HydrophobicContact CB-CD2 4.29Å; Q84-F87 WeakPolarHBondContact O-CB 3.4Å; Q84-F87 PolarHBondContact O-N 3.27Å
85	P	60.1	Low	72.2	Confident	82 Å²	82	68.2 Å²	68.2	53%	0.532	34%	0.336	S	S	.	.	G	3₁₀ helix	trans	-61	-19.5	178.6	24.7	-34.1	0	0	0	113.2	F87 C88	P85-F87 PolarHBondContact O-N 2.9Å; P85-C88 WeakPolarHBondContact O-CB 3.37Å; P85-C88 PolarHBondContact O-N 2.92Å
86	S	57.7	Low	72.3	Confident	101 Å²	101	65.2 Å²	65.2	71%	0.706	34%	0.343	S	S	*	.	G	3₁₀ helix	trans	-67.2	-12.8	170.8	48.6	0	0	0	0	115.3	Q84	Q84-S86 PolarHBondContact O-N 3.31Å; Q84-S86 VanDerWaalsContact O-N 3.08Å
87	F	60.8	Low	72.7	Confident	134 Å²	134	63.3 Å²	63.3	59%	0.588	34%	0.337	S	S	*	.	G	3₁₀ helix	trans	-91.9	-1.5	174.1	-106.1	-88.4	0	0	0	113.5	Q84 P85 D89	Q84-F87 HydrophobicContact CB-CB 4.29Å; Q84-F87 HydrophobicContact CB-CD2 4.29Å; Q84-F87 WeakPolarHBondContact O-CB 3.4Å; Q84-F87 PolarHBondContact O-N 3.27Å; P85-F87 PolarHBondContact O-N 2.9Å; F87-D89 PolarHBondContact O-N 3.48Å
88	C	71.3	Confident	73.3	Confident	20 Å²	20	68.1 Å²	68.1	14%	0.135	36%	0.359	C	S	.	.			trans	-86.7	109.8	178.6	-72	0	0	0	0	111.3	P85 L90 A101	P85-C88 WeakPolarHBondContact O-CB 3.37Å; P85-C88 PolarHBondContact O-N 2.92Å; C88-L90 PolarHBondContact O-N 3.41Å; C88-A101 CarbonylContact C-O 3.29Å; C88-A101 WeakPolarHBondContact CB-O 3.4Å
89	D	75.9	Confident	73.7	Confident	93 Å²	93	68.9 Å²	68.9	50%	0.497	36%	0.362	S	S	.	.	S	Bend	trans	-64.3	-4.8	180	-45.8	-68.1	0	0	0	115	F87 A101 K103	F87-D89 PolarHBondContact O-N 3.48Å; D89-A101 PolarHBondContact N-O 3.47Å; D89-K103 HydrophobicContact CB-CB 4.48Å; D89-K103 HydrophobicContact CB-CD 4.1Å; D89-K103 HydrophobicContact CB-CG 3.9Å; D89-K103 WeakPolarHBondContact O-CE 3.39Å
90	L	82.4	Confident	74.3	Confident	2 Å²	2	68.1 Å²	68.1	1%	0.01	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	128.6	-174.8	-167.8	65.2	0	0	0	112.1	C88 I92 A101 K103 L117 V126	C88-L90 PolarHBondContact O-N 3.41Å; L90-I92 HydrophobicContact CD2-CD1 4Å; L90-I92 HydrophobicContact CD2-CG1 3.94Å; L90-I92 HydrophobicContact CG-CG1 4Å; L90-A101 WeakPolarHBondContact CA-O 3.28Å; L90-A101 VanDerWaalsContact CB-O 3.28Å; L90-A101 WeakPolarHBondContact CB-O 3.4Å; L90-A101 PolarHBondContact N-O 2.95Å; L90-A101 PolarHBondContact O-N 2.83Å; L90-A101 VanDerWaalsContact O-O 3.13Å; L90-K103 HydrophobicContact CB-CG 3.84Å; L90-K103 HydrophobicContact CD1-CG 4.34Å; L90-K103 HydrophobicContact CD2-CG 4.42Å; L90-K103 HydrophobicContact CG-CG 4.44Å; L90-L117 HydrophobicContact CD1-CD2 4.08Å; L90-L117 HydrophobicContact CD2-CD1 4.34Å; L90-V126 HydrophobicContact CD1-CG2 4.08Å
91	L	82.3	Confident	74.8	Confident	47 Å²	47	66.3 Å²	66.3	25%	0.246	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	126.3	166.1	-165.8	69.4	0	0	0	109.1	I93 E98 D124 V125 V126	L91-I93 HydrophobicContact CD2-CD1 4.39Å; L91-I93 HydrophobicContact CD2-CG1 4.35Å; L91-I93 HydrophobicContact CG-CG1 4.38Å; L91-E98 HydrophobicContact CD1-CB 3.89Å; L91-E98 HydrophobicContact CD1-CG 4.03Å; L91-E98 HydrophobicContact CD2-CG 4.18Å; L91-E98 HydrophobicContact CG-CG 4.26Å; L91-D124 PolarHBondContact N-O 3.07Å; L91-V125 HydrophobicContact CB-CG1 4.48Å; L91-V125 HydrophobicContact CB-CG2 4.25Å; L91-V125 HydrophobicContact CD2-CG1 4.39Å; L91-V125 HydrophobicContact CD2-CG2 4.29Å; L91-V125 CarbonylContact O-C 3.36Å; L91-V125 VanDerWaalsContact O-CA 3.3Å; L91-V125 WeakPolarHBondContact O-CA 3.45Å; L91-V126 PolarHBondContact O-N 2.9Å
92	I	83.3	Confident	75.2	Confident	0 Å²	0	65.5 Å²	65.5	0%	0	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	116.7	175.1	-51.8	174.3	0	0	0	108	L90 V94 F99 A101 V106 F113 V126 L128 F136	L90-I92 HydrophobicContact CD2-CD1 4Å; L90-I92 HydrophobicContact CD2-CG1 3.94Å; L90-I92 HydrophobicContact CG-CG1 4Å; I92-V94 HydrophobicContact CG2-CG2 3.93Å; I92-F99 HydrophobicContact CB-CB 4.39Å; I92-F99 PolarHBondContact N-O 3.17Å; I92-F99 PolarHBondContact O-N 3.06Å; I92-A101 HydrophobicContact CD1-CB 4.22Å; I92-V106 HydrophobicContact CD1-CG1 4.43Å; I92-V106 HydrophobicContact CD1-CG2 4.38Å; I92-F113 HydrophobicContact CD1-CE1 3.79Å; I92-F113 HydrophobicContact CD1-CZ 3.85Å; I92-F113 HydrophobicContact CG1-CE1 4.28Å; I92-F113 HydrophobicContact CG2-CE1 4.32Å; I92-F113 HydrophobicContact CG2-CZ 4.18Å; I92-V126 CarbonylContact C-O 3.53Å; I92-V126 VanDerWaalsContact CA-O 3.32Å; I92-V126 WeakPolarHBondContact CA-O 3.44Å; I92-L128 HydrophobicContact CG2-CD1 4.16Å; I92-L128 HydrophobicContact CG2-CG 4.32Å; I92-F136 HydrophobicContact CB-CE1 4.22Å; I92-F136 HydrophobicContact CB-CZ 4.29Å; I92-F136 HydrophobicContact CD1-CE1 4.36Å; I92-F136 HydrophobicContact CD1-CZ 3.81Å; I92-F136 HydrophobicContact CG2-CE1 3.89Å; I92-F136 HydrophobicContact CG2-CZ 3.74Å
93	I	82.4	Confident	75.9	Confident	44 Å²	44	61 Å²	61	23%	0.226	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	120.6	-178.2	-56.3	177.1	0	0	0	108.3	L91 K97 E98 V125 V126 T127 L128	L91-I93 HydrophobicContact CD2-CD1 4.39Å; L91-I93 HydrophobicContact CD2-CG1 4.35Å; L91-I93 HydrophobicContact CG-CG1 4.38Å; I93-K97 WeakPolarHBondContact CA-O 3.26Å; I93-E98 HydrophobicContact CG1-CG 4.27Å; I93-V125 HydrophobicContact CD1-CG1 3.67Å; I93-V125 HydrophobicContact CG1-CG1 4.12Å; I93-V126 PolarHBondContact N-O 3.35Å; I93-T127 HydrophobicContact CB-CG2 4.25Å; I93-T127 CarbonylContact O-C 3.56Å; I93-T127 WeakPolarHBondContact O-CA 3.26Å; I93-L128 PolarHBondContact O-N 3.16Å
94	V	83.9	Confident	76.5	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	116.3	-177.5	-169.2	0	0	0	0	108.6	I92 G96 K97 F99 L128 V131 H133 F136	I92-V94 HydrophobicContact CG2-CG2 3.93Å; V94-G96 PolarHBondContact O-N 3.27Å; V94-G96 VanDerWaalsContact O-N 3.16Å; V94-K97 PolarHBondContact N-O 3.18Å; V94-K97 WeakPolarHBondContact O-CB 3.42Å; V94-K97 PolarHBondContact O-N 3.08Å; V94-F99 HydrophobicContact CB-CD2 4.25Å; V94-F99 HydrophobicContact CB-CE2 4Å; V94-F99 HydrophobicContact CG2-CD2 3.96Å; V94-F99 HydrophobicContact CG2-CE2 4.15Å; V94-L128 HydrophobicContact CG1-CB 4.34Å; V94-L128 HydrophobicContact CG2-CB 4.1Å; V94-L128 HydrophobicContact CG2-CD1 4.09Å; V94-L128 HydrophobicContact CG2-CG 4.46Å; V94-V131 WeakPolarHBondContact CG1-O 3.48Å; V94-H133 HydrophobicContact CG1-CB 4.47Å; V94-F136 HydrophobicContact CG1-CB 4.14Å; V94-F136 HydrophobicContact CG2-CB 4.34Å; V94-F136 HydrophobicContact CG2-CD1 3.56Å; V94-F136 HydrophobicContact CG2-CD2 4.48Å; V94-F136 HydrophobicContact CG2-CE1 3.95Å; V94-F136 HydrophobicContact CG2-CG 3.86Å
95	E	79	Confident	77.4	Confident	106 Å²	106	56.2 Å²	56.2	50%	0.495	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.5	36.2	-174	-57.7	176.8	136.2	0	0	113.3	K97 T132 H133	E95-K97 VanDerWaalsContact C-N 3.28Å; E95-K97 PolarHBondContact O-N 2.95Å; E95-T132 WeakPolarHBondContact OE2-CA 3.43Å; E95-H133 IonicContact OE2-CE1 3.39Å; E95-H133 IonicContact OE2-CG 3.61Å; E95-H133 PolarHBondContact OE2-N 2.94Å; E95-H133 IonicContact OE2-ND1 3.7Å; E95-H133 PolarHBondContact OE2-ND1 2.95Å
96	G	71.2	Confident	78.5	Confident	70 Å²	70	52.3 Å²	52.3	72%	0.722	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.1	5.1	-176.3	0	0	0	0	0	115.5	V94	V94-G96 PolarHBondContact O-N 3.27Å; V94-G96 VanDerWaalsContact O-N 3.16Å
97	K	78.8	Confident	79.7	Confident	104 Å²	104	48.6 Å²	48.6	45%	0.452	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	133.4	171.4	-64.5	-173.4	-175.4	177.7	0	111.3	I93 V94 E95 F99 H133	I93-K97 WeakPolarHBondContact CA-O 3.26Å; V94-K97 PolarHBondContact N-O 3.18Å; V94-K97 WeakPolarHBondContact O-CB 3.42Å; V94-K97 PolarHBondContact O-N 3.08Å; E95-K97 VanDerWaalsContact C-N 3.28Å; E95-K97 PolarHBondContact O-N 2.95Å; K97-F99 HydrophobicContact CB-CE2 3.97Å; K97-F99 WeakPolarHBondContact O-CD2 3.19Å; K97-H133 HydrophobicContact CB-CB 4.46Å; K97-H133 HydrophobicContact CD-CB 3.98Å; K97-H133 PolarHBondContact NZ-CD2 3.23Å; K97-H133 PolarHBondContact NZ-CE1 3.26Å; K97-H133 PolarHBondContact NZ-NE2 2.95Å
98	E	82.4	Confident	80.7	Confident	139 Å²	139	47.1 Å²	47.1	65%	0.65	27%	0.266	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.6	128.7	-179.2	-74.8	179.2	-170.3	0	0	112.3	L91 I93	L91-E98 HydrophobicContact CD1-CB 3.89Å; L91-E98 HydrophobicContact CD1-CG 4.03Å; L91-E98 HydrophobicContact CD2-CG 4.18Å; L91-E98 HydrophobicContact CG-CG 4.26Å; I93-E98 HydrophobicContact CG1-CG 4.27Å
99	F	82.3	Confident	80.9	Confident	29 Å²	29	47 Å²	47	13%	0.127	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	114.1	174.8	-66.3	-92.5	0	0	0	110	I92 V94 K97 H133 F136 Q137 L140	I92-F99 HydrophobicContact CB-CB 4.39Å; I92-F99 PolarHBondContact N-O 3.17Å; I92-F99 PolarHBondContact O-N 3.06Å; V94-F99 HydrophobicContact CB-CD2 4.25Å; V94-F99 HydrophobicContact CB-CE2 4Å; V94-F99 HydrophobicContact CG2-CD2 3.96Å; V94-F99 HydrophobicContact CG2-CE2 4.15Å; K97-F99 HydrophobicContact CB-CE2 3.97Å; K97-F99 WeakPolarHBondContact O-CD2 3.19Å; F99-H133 HydrophobicContact CE2-CB 4.12Å; F99-H133 HydrophobicContact CZ-CB 4.1Å; F99-H133 WeakPolarHBondContact CZ-O 3.29Å; F99-F136 HydrophobicContact CB-CE1 4.03Å; F99-F136 HydrophobicContact CD1-CD1 4.29Å; F99-F136 AromaticContact CD2-CD1 3.88Å; F99-F136 HydrophobicContact CD2-CD1 3.88Å; F99-F136 HydrophobicContact CD2-CE1 4.18Å; F99-F136 HydrophobicContact CE1-CD1 4.49Å; F99-F136 HydrophobicContact CE2-CD1 4.11Å; F99-F136 AromaticContact CG-CD1 3.97Å; F99-F136 HydrophobicContact CG-CD1 3.97Å; F99-F136 HydrophobicContact CG-CE1 4Å; F99-F136 HydrophobicContact CZ-CD1 4.4Å; F99-Q137 HydrophobicContact CE1-CB 3.96Å; F99-Q137 HydrophobicContact CE1-CG 4.37Å; F99-Q137 HydrophobicContact CZ-CB 4.41Å; F99-L140 HydrophobicContact CB-CD2 3.95Å; F99-L140 HydrophobicContact CD1-CD2 4.03Å; F99-L140 HydrophobicContact CG-CD2 4.34Å
100	S	82.4	Confident	81.4	Confident	33 Å²	33	42.7 Å²	42.7	23%	0.231	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	138.1	174.1	61	0	0	0	0	111.5	R81	R81-S100 VanDerWaalsContact CD-O 3.28Å; R81-S100 WeakPolarHBondContact CD-O 3.13Å
101	A	83.1	Confident	81.5	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	155.7	177	0	0	0	0	0	112.9	C88 D89 L90 I92 V106 L140	C88-A101 CarbonylContact C-O 3.29Å; C88-A101 WeakPolarHBondContact CB-O 3.4Å; D89-A101 PolarHBondContact N-O 3.47Å; L90-A101 WeakPolarHBondContact CA-O 3.28Å; L90-A101 VanDerWaalsContact CB-O 3.28Å; L90-A101 WeakPolarHBondContact CB-O 3.4Å; L90-A101 PolarHBondContact N-O 2.95Å; L90-A101 PolarHBondContact O-N 2.83Å; L90-A101 VanDerWaalsContact O-O 3.13Å; I92-A101 HydrophobicContact CD1-CB 4.22Å; A101-V106 HydrophobicContact CB-CG2 3.66Å; A101-L140 HydrophobicContact CB-CD1 4.34Å
102	H	83.6	Confident	81.6	Confident	16 Å²	16	47 Å²	47	7%	0.074	27%	0.268	C	S	.	.			trans	-80.7	125.8	168.4	-52.8	89.6	0	0	0	110.5	V104 V105 V106 Y144	H102-V104 PolarHBondContact O-N 3.13Å; H102-V104 VanDerWaalsContact O-N 3.09Å; H102-V105 HydrophobicContact CB-CG2 4.1Å; H102-V105 PolarHBondContact O-N 2.68Å; H102-V106 PolarHBondContact O-N 3.05Å; H102-Y144 PolarHBondContact N-OH 3.21Å; H102-Y144 AromaticContact ND1-CE1 3.68Å; H102-Y144 AromaticContact ND1-CZ 3.79Å; H102-Y144 PolarHBondContact ND1-OH 3.5Å
103	K	82.3	Confident	81.6	Confident	38 Å²	38	47.1 Å²	47.1	17%	0.165	27%	0.269	C	S	.	.	H	α-helix	trans	-48.7	-41.4	178.3	-72.4	-178	-161.8	-157.1	0	112.5	D89 L90 V105 V106 A107 L117 P121 T123 D124	D89-K103 HydrophobicContact CB-CB 4.48Å; D89-K103 HydrophobicContact CB-CD 4.1Å; D89-K103 HydrophobicContact CB-CG 3.9Å; D89-K103 WeakPolarHBondContact O-CE 3.39Å; L90-K103 HydrophobicContact CB-CG 3.84Å; L90-K103 HydrophobicContact CD1-CG 4.34Å; L90-K103 HydrophobicContact CD2-CG 4.42Å; L90-K103 HydrophobicContact CG-CG 4.44Å; K103-V105 PolarHBondContact O-N 3.09Å; K103-V106 PolarHBondContact O-N 3.38Å; K103-A107 WeakPolarHBondContact O-CB 3.43Å; K103-A107 PolarHBondContact O-N 3.2Å; K103-L117 HydrophobicContact CB-CD1 4.09Å; K103-L117 HydrophobicContact CD-CD2 4.19Å; K103-L117 HydrophobicContact CG-CD1 4.22Å; K103-L117 HydrophobicContact CG-CD2 4.25Å; K103-P121 PolarHBondContact NZ-O 3.1Å; K103-T123 WeakPolarHBondContact CE-O 3.38Å; K103-T123 PolarHBondContact NZ-O 3.32Å; K103-D124 WeakPolarHBondContact CE-OD1 3.3Å; K103-D124 IonicContact NZ-OD1 3.19Å; K103-D124 PolarHBondContact NZ-OD1 2.9Å
104	V	79.5	Confident	81.6	Confident	105 Å²	105	50.3 Å²	50.3	64%	0.636	28%	0.282	S	S	*	.	H	α-helix	trans	-63.3	-41.1	-177.8	-177	0	0	0	0	112.7	H102 V108	H102-V104 PolarHBondContact O-N 3.13Å; H102-V104 VanDerWaalsContact O-N 3.09Å; V104-V108 WeakPolarHBondContact O-CB 3.24Å; V104-V108 VanDerWaalsContact O-CG2 3.24Å; V104-V108 WeakPolarHBondContact O-CG2 3.48Å; V104-V108 PolarHBondContact O-N 3.25Å
105	V	81.1	Confident	81.6	Confident	17 Å²	17	52.3 Å²	52.3	10%	0.103	30%	0.299	C	S	.	.	H	α-helix	trans	-69.2	-45.5	-178.5	177.7	0	0	0	0	110.1	L77 H102 K103 V108 G109 L143 Y144	L77-V105 HydrophobicContact CD1-CG2 3.84Å; H102-V105 HydrophobicContact CB-CG2 4.1Å; H102-V105 PolarHBondContact O-N 2.68Å; K103-V105 PolarHBondContact O-N 3.09Å; V105-V108 PolarHBondContact O-N 3.23Å; V105-G109 PolarHBondContact O-N 3.49Å; V105-L143 HydrophobicContact CG1-CB 4.39Å; V105-Y144 HydrophobicContact CB-CE1 4.37Å; V105-Y144 HydrophobicContact CB-CE2 4.23Å; V105-Y144 HydrophobicContact CG1-CD1 4.42Å; V105-Y144 HydrophobicContact CG1-CD2 4.02Å; V105-Y144 HydrophobicContact CG1-CE1 4.13Å; V105-Y144 HydrophobicContact CG1-CE2 3.7Å; V105-Y144 HydrophobicContact CG1-CG 4.38Å; V105-Y144 HydrophobicContact CG2-CE1 4.1Å
106	V	83.3	Confident	81.6	Confident	0 Å²	0	49 Å²	49	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-70.8	-39.8	-176.8	-163.9	0	0	0	0	111.4	I92 A101 H102 K103 V108 G109 S110 F113 L140 L143	I92-V106 HydrophobicContact CD1-CG1 4.43Å; I92-V106 HydrophobicContact CD1-CG2 4.38Å; A101-V106 HydrophobicContact CB-CG2 3.66Å; H102-V106 PolarHBondContact O-N 3.05Å; K103-V106 PolarHBondContact O-N 3.38Å; V106-V108 VanDerWaalsContact C-N 3.29Å; V106-V108 PolarHBondContact O-N 3.36Å; V106-G109 PolarHBondContact O-N 3.2Å; V106-S110 PolarHBondContact O-N 3.01Å; V106-F113 HydrophobicContact CB-CB 4.42Å; V106-F113 HydrophobicContact CB-CG 4.47Å; V106-F113 HydrophobicContact CG1-CB 3.64Å; V106-F113 HydrophobicContact CG1-CD1 3.89Å; V106-F113 HydrophobicContact CG1-CD2 3.27Å; V106-F113 HydrophobicContact CG1-CE1 4.31Å; V106-F113 HydrophobicContact CG1-CE2 3.76Å; V106-F113 HydrophobicContact CG1-CG 3.33Å; V106-F113 HydrophobicContact CG1-CZ 4.25Å; V106-L140 HydrophobicContact CG2-CD1 4.42Å; V106-L143 HydrophobicContact CG1-CD1 4.22Å
107	A	81.7	Confident	82.1	Confident	23 Å²	23	46.5 Å²	46.5	19%	0.19	26%	0.257	C	S	.	.	H	α-helix	trans	-69.4	-20.5	175.5	0	0	0	0	0	114.4	K103 H114 L117	K103-A107 WeakPolarHBondContact O-CB 3.43Å; K103-A107 PolarHBondContact O-N 3.2Å; A107-H114 HydrophobicContact CB-CB 4.39Å; A107-H114 PolarHBondContact O-CD2 2.85Å; A107-L117 HydrophobicContact CB-CD1 4.17Å
108	V	81.6	Confident	82.1	Confident	103 Å²	103	45.3 Å²	45.3	62%	0.624	26%	0.261	S	S	*	.	H	α-helix	trans	-84.9	-31.9	171.4	168.7	0	0	0	0	111.4	V104 V105 V106	V104-V108 WeakPolarHBondContact O-CB 3.24Å; V104-V108 VanDerWaalsContact O-CG2 3.24Å; V104-V108 WeakPolarHBondContact O-CG2 3.48Å; V104-V108 PolarHBondContact O-N 3.25Å; V105-V108 PolarHBondContact O-N 3.23Å; V106-V108 VanDerWaalsContact C-N 3.29Å; V106-V108 PolarHBondContact O-N 3.36Å
109	G	77.1	Confident	82	Confident	18 Å²	18	46.7 Å²	46.7	19%	0.186	27%	0.265	C	S	.	.	H	α-helix	trans	-85.3	-20.3	-177.8	0	0	0	0	0	116.2	V105 V106	V105-G109 PolarHBondContact O-N 3.49Å; V106-G109 PolarHBondContact O-N 3.2Å
110	S	85.3	Confident	81.6	Confident	3 Å²	3	49.4 Å²	49.4	2%	0.021	28%	0.281	C	S	.	.			trans	-140	130.2	-173.4	163.1	0	0	0	0	111.6	V106 Y112 F113 H114 L165	V106-S110 PolarHBondContact O-N 3.01Å; S110-Y112 VanDerWaalsContact C-N 3.34Å; S110-Y112 PolarHBondContact OG-N 2.97Å; S110-F113 WeakPolarHBondContact OG-CD2 3.21Å; S110-F113 PolarHBondContact OG-N 2.98Å; S110-F113 VanDerWaalsContact OG-N 3.1Å; S110-H114 WeakPolarHBondContact O-CB 3.43Å; S110-H114 PolarHBondContact O-N 2.92Å; S110-H114 VanDerWaalsContact O-N 3.13Å; S110-L165 WeakPolarHBondContact CB-O 3.21Å; S110-L165 PolarHBondContact OG-O 3.29Å
111	S	84	Confident	81.1	Confident	59 Å²	59	52.8 Å²	52.8	41%	0.413	30%	0.303	S	S	.	.	H	α-helix	trans	-71.3	-31.5	173.7	99.8	0	0	0	0	112	H114 A115 D166	S111-H114 PolarHBondContact O-N 3.12Å; S111-A115 VanDerWaalsContact O-CB 3.29Å; S111-A115 WeakPolarHBondContact O-CB 3.36Å; S111-A115 PolarHBondContact O-N 3.07Å; S111-D166 WeakPolarHBondContact CB-OD2 3.49Å; S111-D166 PolarHBondContact N-O 2.96Å; S111-D166 WeakPolarHBondContact OG-CB 3.3Å; S111-D166 PolarHBondContact OG-OD2 3.38Å
112	Y	85.2	Confident	80.5	Confident	81 Å²	81	57.6 Å²	57.6	32%	0.318	34%	0.336	S	S	.	.	H	α-helix	trans	-59.9	-52.4	175.1	175.7	-86.8	0	0	0	111.5	S110 H114 A115 C116 L128 L165	S110-Y112 VanDerWaalsContact C-N 3.34Å; S110-Y112 PolarHBondContact OG-N 2.97Å; Y112-H114 PolarHBondContact O-N 3.43Å; Y112-A115 WeakPolarHBondContact O-CB 3.26Å; Y112-A115 PolarHBondContact O-N 2.79Å; Y112-C116 PolarHBondContact O-N 3.04Å; Y112-L128 HydrophobicContact CE1-CD2 3.9Å; Y112-L165 WeakPolarHBondContact CB-O 3.18Å; Y112-L165 HydrophobicContact CD1-CD2 3.9Å; Y112-L165 HydrophobicContact CE1-CD2 4.18Å; Y112-L165 HydrophobicContact CG-CD2 4.34Å
113	F	83.5	Confident	80.2	Confident	2 Å²	2	58.6 Å²	58.6	1%	0.009	34%	0.343	C	S	.	.	H	α-helix	trans	-68.6	-35.4	178.9	-76.8	-76.9	0	0	0	112.1	I92 V106 S110 C116 L117 V126 L128 F136 L165	I92-F113 HydrophobicContact CD1-CE1 3.79Å; I92-F113 HydrophobicContact CD1-CZ 3.85Å; I92-F113 HydrophobicContact CG1-CE1 4.28Å; I92-F113 HydrophobicContact CG2-CE1 4.32Å; I92-F113 HydrophobicContact CG2-CZ 4.18Å; V106-F113 HydrophobicContact CB-CB 4.42Å; V106-F113 HydrophobicContact CB-CG 4.47Å; V106-F113 HydrophobicContact CG1-CB 3.64Å; V106-F113 HydrophobicContact CG1-CD1 3.89Å; V106-F113 HydrophobicContact CG1-CD2 3.27Å; V106-F113 HydrophobicContact CG1-CE1 4.31Å; V106-F113 HydrophobicContact CG1-CE2 3.76Å; V106-F113 HydrophobicContact CG1-CG 3.33Å; V106-F113 HydrophobicContact CG1-CZ 4.25Å; S110-F113 WeakPolarHBondContact OG-CD2 3.21Å; S110-F113 PolarHBondContact OG-N 2.98Å; S110-F113 VanDerWaalsContact OG-N 3.1Å; F113-C116 PolarHBondContact O-N 3.45Å; F113-L117 WeakPolarHBondContact O-CB 3.49Å; F113-L117 WeakPolarHBondContact O-CG 3.45Å; F113-L117 PolarHBondContact O-N 3.44Å; F113-V126 HydrophobicContact CE1-CB 4.48Å; F113-V126 HydrophobicContact CE1-CG1 3.94Å; F113-L128 HydrophobicContact CZ-CD1 3.96Å; F113-F136 HydrophobicContact CE2-CE2 4.16Å; F113-F136 HydrophobicContact CZ-CE2 4.06Å; F113-F136 HydrophobicContact CZ-CZ 4.17Å; F113-L165 HydrophobicContact CE2-CD1 4.32Å; F113-L165 HydrophobicContact CE2-CD2 3.95Å; F113-L165 HydrophobicContact CZ-CD2 4.43Å
114	H	82.7	Confident	80	Confident	111 Å²	111	61.4 Å²	61.4	51%	0.514	36%	0.36	S	S	.	.	H	α-helix	trans	-59.2	-45.2	170	-173.8	-73.7	0	0	0	111.7	A107 S110 S111 Y112 S118	A107-H114 HydrophobicContact CB-CB 4.39Å; A107-H114 PolarHBondContact O-CD2 2.85Å; S110-H114 WeakPolarHBondContact O-CB 3.43Å; S110-H114 PolarHBondContact O-N 2.92Å; S110-H114 VanDerWaalsContact O-N 3.13Å; S111-H114 PolarHBondContact O-N 3.12Å; Y112-H114 PolarHBondContact O-N 3.43Å; H114-S118 WeakPolarHBondContact O-CB 3.04Å; H114-S118 PolarHBondContact O-N 3.2Å; H114-S118 PolarHBondContact O-OG 3.08Å
115	A	83.5	Confident	80.1	Confident	42 Å²	42	60 Å²	60	35%	0.347	35%	0.352	S	S	.	.	H	α-helix	trans	-64.8	-37.7	177	0	0	0	0	0	112.7	S111 Y112 S118 K119	S111-A115 VanDerWaalsContact O-CB 3.29Å; S111-A115 WeakPolarHBondContact O-CB 3.36Å; S111-A115 PolarHBondContact O-N 3.07Å; Y112-A115 WeakPolarHBondContact O-CB 3.26Å; Y112-A115 PolarHBondContact O-N 2.79Å; A115-S118 WeakPolarHBondContact CA-OG 3.06Å; A115-S118 PolarHBondContact O-OG 3.4Å; A115-K119 WeakPolarHBondContact O-CG 3.29Å; A115-K119 PolarHBondContact O-N 2.91Å
116	C	79.6	Confident	80.2	Confident	36 Å²	36	59.8 Å²	59.8	24%	0.243	35%	0.35	C	S	.	.	H	α-helix	trans	-66.9	-55.1	176.4	-166.7	0	0	0	0	111.4	Y112 F113 S118 K119 N120	Y112-C116 PolarHBondContact O-N 3.04Å; F113-C116 PolarHBondContact O-N 3.45Å; C116-S118 VanDerWaalsContact C-N 3.3Å; C116-S118 PolarHBondContact O-N 3.18Å; C116-K119 PolarHBondContact O-N 3.5Å; C116-K119 VanDerWaalsContact O-N 3.11Å; C116-N120 PolarHBondContact O-N 3.12Å
117	L	81.1	Confident	80.1	Confident	18 Å²	18	63.4 Å²	63.4	9%	0.094	37%	0.372	C	S	.	.	H	α-helix	trans	-67.6	-27	-178.2	-64.8	169.6	0	0	0	112.9	L90 K103 A107 F113 N120 P121	L90-L117 HydrophobicContact CD1-CD2 4.08Å; L90-L117 HydrophobicContact CD2-CD1 4.34Å; K103-L117 HydrophobicContact CB-CD1 4.09Å; K103-L117 HydrophobicContact CD-CD2 4.19Å; K103-L117 HydrophobicContact CG-CD1 4.22Å; K103-L117 HydrophobicContact CG-CD2 4.25Å; A107-L117 HydrophobicContact CB-CD1 4.17Å; F113-L117 WeakPolarHBondContact O-CB 3.49Å; F113-L117 WeakPolarHBondContact O-CG 3.45Å; F113-L117 PolarHBondContact O-N 3.44Å; L117-N120 CarbonylContact O-C 3.56Å; L117-N120 VanDerWaalsContact O-C 3.25Å; L117-P121 WeakPolarHBondContact O-CA 3.4Å
118	S	79.3	Confident	80.2	Confident	78 Å²	78	62.4 Å²	62.4	55%	0.545	36%	0.364	S	S	.	.	H	α-helix	trans	-75.9	-21.2	173.8	57.5	0	0	0	0	114.1	H114 A115 C116	H114-S118 WeakPolarHBondContact O-CB 3.04Å; H114-S118 PolarHBondContact O-N 3.2Å; H114-S118 PolarHBondContact O-OG 3.08Å; A115-S118 WeakPolarHBondContact CA-OG 3.06Å; A115-S118 PolarHBondContact O-OG 3.4Å; C116-S118 VanDerWaalsContact C-N 3.3Å; C116-S118 PolarHBondContact O-N 3.18Å
119	K	79.6	Confident	79.8	Confident	168 Å²	168	63.4 Å²	63.4	73%	0.73	37%	0.366	S	S	*	.	H	α-helix	trans	-76.9	-44.7	170.5	-72.1	171	-178.2	178.1	0	110.8	A115 C116	A115-K119 WeakPolarHBondContact O-CG 3.29Å; A115-K119 PolarHBondContact O-N 2.91Å; C116-K119 PolarHBondContact O-N 3.5Å; C116-K119 VanDerWaalsContact O-N 3.11Å
120	N	75.2	Confident	79.6	Confident	87 Å²	87	69.5 Å²	69.5	47%	0.465	39%	0.389	S	S	.	.			trans	-127.9	88.9	-178.6	-60.7	-41.8	0	0	0	110.8	C116 L117 S122 T123	C116-N120 PolarHBondContact O-N 3.12Å; L117-N120 CarbonylContact O-C 3.56Å; L117-N120 VanDerWaalsContact O-C 3.25Å; N120-S122 PolarHBondContact O-N 2.85Å; N120-S122 VanDerWaalsContact O-N 3.11Å; N120-T123 HydrophobicContact CB-CG2 3.58Å; N120-T123 PolarHBondContact O-N 2.84Å; N120-T123 VanDerWaalsContact O-N 3.16Å; N120-T123 PolarHBondContact O-OG1 3.3Å
121	P	71.9	Confident	79.3	Confident	104 Å²	104	69.7 Å²	69.7	68%	0.675	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-19.8	-178.6	24.9	-34	0	0	0	113.7	K103 L117	K103-P121 PolarHBondContact NZ-O 3.1Å; L117-P121 WeakPolarHBondContact O-CA 3.4Å
122	S	70.4	Confident	79.2	Confident	100 Å²	100	69.6 Å²	69.6	70%	0.699	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.5	12.8	178.2	62.3	0	0	0	0	114.7	N120	N120-S122 PolarHBondContact O-N 2.85Å; N120-S122 VanDerWaalsContact O-N 3.11Å
123	T	76.9	Confident	78.9	Confident	38 Å²	38	68.3 Å²	68.3	23%	0.233	38%	0.384	C	S	.	.			trans	-80.5	118.3	166.8	47.8	0	0	0	0	109.9	K103 N120	K103-T123 WeakPolarHBondContact CE-O 3.38Å; K103-T123 PolarHBondContact NZ-O 3.32Å; N120-T123 HydrophobicContact CB-CG2 3.58Å; N120-T123 PolarHBondContact O-N 2.84Å; N120-T123 VanDerWaalsContact O-N 3.16Å; N120-T123 PolarHBondContact O-OG1 3.3Å
124	D	78.2	Confident	78.7	Confident	97 Å²	97	70.3 Å²	70.3	52%	0.519	40%	0.398	S	S	.	.			trans	-100.4	-4.5	174.2	-53.1	-30.6	0	0	0	111.7	L91 K103	L91-D124 PolarHBondContact N-O 3.07Å; K103-D124 WeakPolarHBondContact CE-OD1 3.3Å; K103-D124 IonicContact NZ-OD1 3.19Å; K103-D124 PolarHBondContact NZ-OD1 2.9Å
125	V	81	Confident	78.7	Confident	76 Å²	76	65.3 Å²	65.3	46%	0.461	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	138.8	175.8	-171.4	0	0	0	0	110.2	L91 I93	L91-V125 HydrophobicContact CB-CG1 4.48Å; L91-V125 HydrophobicContact CB-CG2 4.25Å; L91-V125 HydrophobicContact CD2-CG1 4.39Å; L91-V125 HydrophobicContact CD2-CG2 4.29Å; L91-V125 CarbonylContact O-C 3.36Å; L91-V125 VanDerWaalsContact O-CA 3.3Å; L91-V125 WeakPolarHBondContact O-CA 3.45Å; I93-V125 HydrophobicContact CD1-CG1 3.67Å; I93-V125 HydrophobicContact CG1-CG1 4.12Å
126	V	82.2	Confident	78.7	Confident	12 Å²	12	63.4 Å²	63.4	7%	0.073	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	131.4	173	173.4	0	0	0	0	109.8	L90 L91 I92 I93 F113	L90-V126 HydrophobicContact CD1-CG2 4.08Å; L91-V126 PolarHBondContact O-N 2.9Å; I92-V126 CarbonylContact C-O 3.53Å; I92-V126 VanDerWaalsContact CA-O 3.32Å; I92-V126 WeakPolarHBondContact CA-O 3.44Å; I93-V126 PolarHBondContact N-O 3.35Å; F113-V126 HydrophobicContact CE1-CB 4.48Å; F113-V126 HydrophobicContact CE1-CG1 3.94Å
127	T	82.6	Confident	78.9	Confident	75 Å²	75	66.8 Å²	66.8	46%	0.46	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	149.9	173.3	54.1	0	0	0	0	111.8	I93	I93-T127 HydrophobicContact CB-CG2 4.25Å; I93-T127 CarbonylContact O-C 3.56Å; I93-T127 WeakPolarHBondContact O-CA 3.26Å
128	L	82.7	Confident	78.9	Confident	3 Å²	3	67.4 Å²	67.4	2%	0.016	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	110.8	168.6	-65.5	178.8	0	0	0	110.1	I92 I93 V94 Y112 F113 F136 F164 L165	I92-L128 HydrophobicContact CG2-CD1 4.16Å; I92-L128 HydrophobicContact CG2-CG 4.32Å; I93-L128 PolarHBondContact O-N 3.16Å; V94-L128 HydrophobicContact CG1-CB 4.34Å; V94-L128 HydrophobicContact CG2-CB 4.1Å; V94-L128 HydrophobicContact CG2-CD1 4.09Å; V94-L128 HydrophobicContact CG2-CG 4.46Å; Y112-L128 HydrophobicContact CE1-CD2 3.9Å; F113-L128 HydrophobicContact CZ-CD1 3.96Å; L128-F136 HydrophobicContact CD1-CD2 3.74Å; L128-F136 HydrophobicContact CD1-CE2 3.6Å; L128-F136 HydrophobicContact CD1-CG 4.49Å; L128-F136 HydrophobicContact CD1-CZ 4.24Å; L128-F164 HydrophobicContact CD2-CE1 4.41Å; L128-L165 HydrophobicContact CD1-CD1 4.31Å; L128-L165 HydrophobicContact CD1-CD2 3.94Å; L128-L165 HydrophobicContact CD2-CD2 3.85Å
129	D	73.3	Confident	79	Confident	124 Å²	124	63.7 Å²	63.7	66%	0.663	35%	0.348	S	S	*	.	S	Bend	trans	-102.6	6.4	-174.1	-46	-52.6	0	0	0	112.8
130	H	72.6	Confident	79.1	Confident	146 Å²	146	55.8 Å²	55.8	68%	0.676	31%	0.314	S	S	*	.	S	Bend	trans	-131	16	-172.3	-59.7	-19.5	0	0	0	113.5	F164	H130-F164 HydrophobicContact CB-CE1 4.27Å; H130-F164 HydrophobicContact CB-CE2 4.29Å; H130-F164 HydrophobicContact CB-CZ 3.97Å; H130-F164 AromaticContact CD2-CZ 3.88Å
131	V	80.4	Confident	79.3	Confident	7 Å²	7	54.3 Å²	54.3	4%	0.042	30%	0.304	C	S	.	.	S	Bend	trans	-136.7	133.4	177.5	-177.7	0	0	0	0	107.7	V94 V135 F136 A161 F164 L165	V94-V131 WeakPolarHBondContact CG1-O 3.48Å; V131-V135 HydrophobicContact CG1-CB 4.4Å; V131-V135 HydrophobicContact CG1-CG1 4.09Å; V131-F136 HydrophobicContact CG1-CB 3.92Å; V131-A161 HydrophobicContact CG1-CB 3.7Å; V131-A161 HydrophobicContact CG2-CB 4.14Å; V131-F164 HydrophobicContact CG2-CD1 3.83Å; V131-F164 HydrophobicContact CG2-CE1 4.28Å; V131-L165 HydrophobicContact CG2-CD1 4.49Å
132	T	81.9	Confident	79.8	Confident	57 Å²	57	49.7 Å²	49.7	35%	0.35	27%	0.273	S	S	.	.			trans	-73.1	143.7	176.2	62.8	0	0	0	0	111	E95 S134 V135 F136	E95-T132 WeakPolarHBondContact OE2-CA 3.43Å; T132-S134 PolarHBondContact O-N 2.8Å; T132-V135 PolarHBondContact O-N 3.25Å; T132-V135 VanDerWaalsContact O-N 3.14Å; T132-V135 WeakPolarHBondContact OG1-CB 3.42Å; T132-V135 VanDerWaalsContact OG1-CG2 3.29Å; T132-V135 WeakPolarHBondContact OG1-CG2 3.45Å; T132-F136 PolarHBondContact O-N 3.24Å
133	H	78.8	Confident	80.2	Confident	54 Å²	54	45.9 Å²	45.9	25%	0.25	25%	0.245	C	C	.	.	H	α-helix	trans	-59.3	-32	-174.6	65	-87	0	0	0	113.6	V94 E95 K97 F99 Q137	V94-H133 HydrophobicContact CG1-CB 4.47Å; E95-H133 IonicContact OE2-CE1 3.39Å; E95-H133 IonicContact OE2-CG 3.61Å; E95-H133 PolarHBondContact OE2-N 2.94Å; E95-H133 IonicContact OE2-ND1 3.7Å; E95-H133 PolarHBondContact OE2-ND1 2.95Å; K97-H133 HydrophobicContact CB-CB 4.46Å; K97-H133 HydrophobicContact CD-CB 3.98Å; K97-H133 PolarHBondContact NZ-CD2 3.23Å; K97-H133 PolarHBondContact NZ-CE1 3.26Å; K97-H133 PolarHBondContact NZ-NE2 2.95Å; F99-H133 HydrophobicContact CE2-CB 4.12Å; F99-H133 HydrophobicContact CZ-CB 4.1Å; F99-H133 WeakPolarHBondContact CZ-O 3.29Å; H133-Q137 WeakPolarHBondContact O-CB 3.34Å; H133-Q137 PolarHBondContact O-N 3.27Å
134	S	79.6	Confident	80.3	Confident	44 Å²	44	44 Å²	44	31%	0.308	23%	0.234	S	C	.	.	H	α-helix	trans	-68.9	-47.8	175.6	52	0	0	0	0	111.5	T132 F136 Q137 H138	T132-S134 PolarHBondContact O-N 2.8Å; S134-F136 VanDerWaalsContact C-N 3.32Å; S134-F136 PolarHBondContact O-N 3.44Å; S134-Q137 WeakPolarHBondContact O-CB 3.39Å; S134-Q137 PolarHBondContact O-N 3.16Å; S134-Q137 VanDerWaalsContact O-N 3.16Å; S134-H138 PolarHBondContact O-CD2 3.02Å; S134-H138 PolarHBondContact O-N 3.45Å; S134-H138 VanDerWaalsContact O-N 3.13Å
135	V	82.4	Confident	80	Confident	5 Å²	5	40.5 Å²	40.5	3%	0.03	22%	0.216	C	C	.	.	H	α-helix	trans	-61.2	-42	175	168.1	0	0	0	0	111	V131 T132 Q137 H138 L139 L157 V158 A161	V131-V135 HydrophobicContact CG1-CB 4.4Å; V131-V135 HydrophobicContact CG1-CG1 4.09Å; T132-V135 PolarHBondContact O-N 3.25Å; T132-V135 VanDerWaalsContact O-N 3.14Å; T132-V135 WeakPolarHBondContact OG1-CB 3.42Å; T132-V135 VanDerWaalsContact OG1-CG2 3.29Å; T132-V135 WeakPolarHBondContact OG1-CG2 3.45Å; V135-Q137 VanDerWaalsContact C-N 3.34Å; V135-Q137 PolarHBondContact O-N 3.2Å; V135-H138 PolarHBondContact O-N 3.01Å; V135-L139 HydrophobicContact CG1-CD1 4.18Å; V135-L139 WeakPolarHBondContact O-CG 3.39Å; V135-L139 PolarHBondContact O-N 3.48Å; V135-L157 HydrophobicContact CG2-CB 3.9Å; V135-V158 HydrophobicContact CB-CG2 4.48Å; V135-V158 HydrophobicContact CG1-CB 4.43Å; V135-V158 HydrophobicContact CG1-CG2 4.06Å; V135-V158 HydrophobicContact CG2-CG2 4.14Å; V135-A161 HydrophobicContact CG1-CB 3.4Å
136	F	83.8	Confident	79.4	Confident	3 Å²	3	37 Å²	37	1%	0.013	20%	0.195	C	C	.	.	H	α-helix	trans	-63.3	-39.5	174.8	-172.2	-107.3	0	0	0	112.2	I92 V94 F99 F113 L128 V131 T132 S134 H138 L139 L140 L165	I92-F136 HydrophobicContact CB-CE1 4.22Å; I92-F136 HydrophobicContact CB-CZ 4.29Å; I92-F136 HydrophobicContact CD1-CE1 4.36Å; I92-F136 HydrophobicContact CD1-CZ 3.81Å; I92-F136 HydrophobicContact CG2-CE1 3.89Å; I92-F136 HydrophobicContact CG2-CZ 3.74Å; V94-F136 HydrophobicContact CG1-CB 4.14Å; V94-F136 HydrophobicContact CG2-CB 4.34Å; V94-F136 HydrophobicContact CG2-CD1 3.56Å; V94-F136 HydrophobicContact CG2-CD2 4.48Å; V94-F136 HydrophobicContact CG2-CE1 3.95Å; V94-F136 HydrophobicContact CG2-CG 3.86Å; F99-F136 HydrophobicContact CB-CE1 4.03Å; F99-F136 HydrophobicContact CD1-CD1 4.29Å; F99-F136 AromaticContact CD2-CD1 3.88Å; F99-F136 HydrophobicContact CD2-CD1 3.88Å; F99-F136 HydrophobicContact CD2-CE1 4.18Å; F99-F136 HydrophobicContact CE1-CD1 4.49Å; F99-F136 HydrophobicContact CE2-CD1 4.11Å; F99-F136 AromaticContact CG-CD1 3.97Å; F99-F136 HydrophobicContact CG-CD1 3.97Å; F99-F136 HydrophobicContact CG-CE1 4Å; F99-F136 HydrophobicContact CZ-CD1 4.4Å; F113-F136 HydrophobicContact CE2-CE2 4.16Å; F113-F136 HydrophobicContact CZ-CE2 4.06Å; F113-F136 HydrophobicContact CZ-CZ 4.17Å; L128-F136 HydrophobicContact CD1-CD2 3.74Å; L128-F136 HydrophobicContact CD1-CE2 3.6Å; L128-F136 HydrophobicContact CD1-CG 4.49Å; L128-F136 HydrophobicContact CD1-CZ 4.24Å; V131-F136 HydrophobicContact CG1-CB 3.92Å; T132-F136 PolarHBondContact O-N 3.24Å; S134-F136 VanDerWaalsContact C-N 3.32Å; S134-F136 PolarHBondContact O-N 3.44Å; F136-H138 VanDerWaalsContact C-N 3.34Å; F136-H138 PolarHBondContact O-N 2.89Å; F136-L139 PolarHBondContact O-N 2.95Å; F136-L140 HydrophobicContact CE1-CB 4.22Å; F136-L140 HydrophobicContact CE1-CD2 3.9Å; F136-L140 HydrophobicContact CE1-CG 4.46Å; F136-L140 HydrophobicContact CZ-CB 4.4Å; F136-L140 HydrophobicContact CZ-CD1 4.34Å; F136-L140 HydrophobicContact CZ-CD2 4.48Å; F136-L140 VanDerWaalsContact O-CB 3.24Å; F136-L140 WeakPolarHBondContact O-CB 3.48Å; F136-L140 PolarHBondContact O-N 2.96Å; F136-L165 HydrophobicContact CD2-CD1 3.85Å; F136-L165 HydrophobicContact CE2-CD1 3.87Å
137	Q	82.9	Confident	79	Confident	106 Å²	106	38.9 Å²	38.9	50%	0.495	20%	0.202	S	C	.	.	H	α-helix	trans	-58.6	-43.3	175.2	-177.1	176.9	-32.2	0	0	111.8	F99 H133 S134 V135 L140 E141	F99-Q137 HydrophobicContact CE1-CB 3.96Å; F99-Q137 HydrophobicContact CE1-CG 4.37Å; F99-Q137 HydrophobicContact CZ-CB 4.41Å; H133-Q137 WeakPolarHBondContact O-CB 3.34Å; H133-Q137 PolarHBondContact O-N 3.27Å; S134-Q137 WeakPolarHBondContact O-CB 3.39Å; S134-Q137 PolarHBondContact O-N 3.16Å; S134-Q137 VanDerWaalsContact O-N 3.16Å; V135-Q137 VanDerWaalsContact C-N 3.34Å; V135-Q137 PolarHBondContact O-N 3.2Å; Q137-L140 PolarHBondContact O-N 3.29Å; Q137-E141 WeakPolarHBondContact O-CB 3.15Å; Q137-E141 PolarHBondContact O-N 3.35Å
138	H	80.6	Confident	78.2	Confident	31 Å²	31	35.4 Å²	35.4	14%	0.144	18%	0.181	C	C	.	.	H	α-helix	trans	-66.9	-40.1	176.6	-69.2	-66.8	0	0	0	113.1	S134 V135 F136 F142 F149 V150 E154	S134-H138 PolarHBondContact O-CD2 3.02Å; S134-H138 PolarHBondContact O-N 3.45Å; S134-H138 VanDerWaalsContact O-N 3.13Å; V135-H138 PolarHBondContact O-N 3.01Å; F136-H138 VanDerWaalsContact C-N 3.34Å; F136-H138 PolarHBondContact O-N 2.89Å; H138-F142 PolarHBondContact O-N 3.07Å; H138-F149 PolarHBondContact CE1-O 2.86Å; H138-F149 PolarHBondContact ND1-O 3.48Å; H138-V150 HydrophobicContact CB-CG2 4.04Å; H138-E154 IonicContact NE2-OE1 3.6Å
139	L	81.3	Confident	77.4	Confident	1 Å²	1	39.3 Å²	39.3	1%	0.005	20%	0.198	C	C	.	.	H	α-helix	trans	-66.5	-42.7	175.3	-69.4	172.9	0	0	0	111.8	V135 F136 F142 L143 F148 V158 A161 A162 L165 I167 A170	V135-L139 HydrophobicContact CG1-CD1 4.18Å; V135-L139 WeakPolarHBondContact O-CG 3.39Å; V135-L139 PolarHBondContact O-N 3.48Å; F136-L139 PolarHBondContact O-N 2.95Å; L139-F142 WeakPolarHBondContact O-CB 3.34Å; L139-F142 PolarHBondContact O-N 3.11Å; L139-L143 WeakPolarHBondContact O-CG 3.44Å; L139-L143 PolarHBondContact O-N 3.36Å; L139-L143 VanDerWaalsContact O-N 3.12Å; L139-F148 HydrophobicContact CD2-CE1 3.96Å; L139-F148 HydrophobicContact CD2-CZ 3.94Å; L139-V158 HydrophobicContact CD2-CG1 3.73Å; L139-V158 HydrophobicContact CG-CG1 4.15Å; L139-A161 HydrophobicContact CD1-CB 3.57Å; L139-A162 HydrophobicContact CD2-CB 3.87Å; L139-L165 HydrophobicContact CD1-CD1 4.15Å; L139-I167 HydrophobicContact CB-CD1 4.14Å; L139-I167 HydrophobicContact CD1-CD1 4.46Å; L139-I167 HydrophobicContact CD2-CD1 4.29Å; L139-A170 HydrophobicContact CD2-CB 4.31Å
140	L	82.8	Confident	77.4	Confident	2 Å²	2	33.7 Å²	33.7	1%	0.01	17%	0.168	C	C	.	.	H	α-helix	trans	-67.4	-38.7	177	-171.9	66.2	0	0	0	111.1	R81 F99 A101 V106 F136 Q137 L143 Y144	R81-L140 VanDerWaalsContact NH1-CD2 3.27Å; F99-L140 HydrophobicContact CB-CD2 3.95Å; F99-L140 HydrophobicContact CD1-CD2 4.03Å; F99-L140 HydrophobicContact CG-CD2 4.34Å; A101-L140 HydrophobicContact CB-CD1 4.34Å; V106-L140 HydrophobicContact CG2-CD1 4.42Å; F136-L140 HydrophobicContact CE1-CB 4.22Å; F136-L140 HydrophobicContact CE1-CD2 3.9Å; F136-L140 HydrophobicContact CE1-CG 4.46Å; F136-L140 HydrophobicContact CZ-CB 4.4Å; F136-L140 HydrophobicContact CZ-CD1 4.34Å; F136-L140 HydrophobicContact CZ-CD2 4.48Å; F136-L140 VanDerWaalsContact O-CB 3.24Å; F136-L140 WeakPolarHBondContact O-CB 3.48Å; F136-L140 PolarHBondContact O-N 2.96Å; Q137-L140 PolarHBondContact O-N 3.29Å; L140-L143 PolarHBondContact O-N 2.89Å; L140-Y144 HydrophobicContact CD1-CD2 4.34Å; L140-Y144 HydrophobicContact CD1-CE2 4.02Å; L140-Y144 WeakPolarHBondContact O-CD2 3.36Å; L140-Y144 PolarHBondContact O-N 3.4Å
141	E	80	Confident	77.4	Confident	56 Å²	56	29.9 Å²	29.9	26%	0.262	15%	0.148	S	C	.	.	H	α-helix	trans	-60.8	-46.6	171.5	-176.1	163.6	-147.2	0	0	111.3	Q137 L143 Y144 T145	Q137-E141 WeakPolarHBondContact O-CB 3.15Å; Q137-E141 PolarHBondContact O-N 3.35Å; E141-L143 VanDerWaalsContact C-N 3.26Å; E141-L143 PolarHBondContact O-N 2.89Å; E141-Y144 CarbonylContact O-C 3.33Å; E141-Y144 WeakPolarHBondContact O-CA 3.45Å; E141-Y144 PolarHBondContact O-N 3.46Å; E141-T145 HydrophobicContact CG-CG2 3.68Å; E141-T145 PolarHBondContact O-N 3.1Å; E141-T145 PolarHBondContact O-OG1 3.16Å
142	F	81.3	Confident	76.8	Confident	7 Å²	7	35.3 Å²	35.3	3%	0.031	17%	0.171	C	C	.	.	H	α-helix	trans	-55.2	-37.9	175.7	170.7	-103.7	0	0	0	113.1	H138 L139 Y144 S146 F148 I167 D169 A170 L173	H138-F142 PolarHBondContact O-N 3.07Å; L139-F142 WeakPolarHBondContact O-CB 3.34Å; L139-F142 PolarHBondContact O-N 3.11Å; F142-Y144 PolarHBondContact O-N 2.93Å; F142-S146 WeakPolarHBondContact O-CA 3.43Å; F142-S146 PolarHBondContact O-N 2.68Å; F142-F148 HydrophobicContact CB-CD1 3.97Å; F142-F148 HydrophobicContact CB-CD2 4.3Å; F142-F148 HydrophobicContact CB-CE1 3.6Å; F142-F148 HydrophobicContact CB-CE2 3.95Å; F142-F148 HydrophobicContact CB-CG 4.3Å; F142-F148 HydrophobicContact CB-CZ 3.58Å; F142-F148 AromaticContact CD1-CE2 3.79Å; F142-F148 HydrophobicContact CD1-CE2 3.79Å; F142-F148 AromaticContact CD1-CZ 3.69Å; F142-F148 HydrophobicContact CD1-CZ 3.69Å; F142-F148 AromaticContact CD2-CD2 3.44Å; F142-F148 HydrophobicContact CD2-CD2 3.44Å; F142-F148 VanDerWaalsContact CD2-CD2 3.44Å; F142-F148 HydrophobicContact CD2-CE1 4.47Å; F142-F148 AromaticContact CD2-CE2 3.28Å; F142-F148 HydrophobicContact CD2-CE2 3.28Å; F142-F148 HydrophobicContact CD2-CG 4.11Å; F142-F148 AromaticContact CD2-CZ 3.85Å; F142-F148 HydrophobicContact CD2-CZ 3.85Å; F142-F148 HydrophobicContact CE1-CE2 4.08Å; F142-F148 HydrophobicContact CE1-CZ 4.33Å; F142-F148 AromaticContact CE2-CD2 3.88Å; F142-F148 HydrophobicContact CE2-CD2 3.88Å; F142-F148 AromaticContact CE2-CE2 3.62Å; F142-F148 HydrophobicContact CE2-CE2 3.62Å; F142-F148 HydrophobicContact CE2-CZ 4.47Å; F142-F148 HydrophobicContact CG-CD1 4.44Å; F142-F148 AromaticContact CG-CD2 3.91Å; F142-F148 HydrophobicContact CG-CD2 3.91Å; F142-F148 AromaticContact CG-CE1 3.98Å; F142-F148 HydrophobicContact CG-CE1 3.98Å; F142-F148 AromaticContact CG-CE2 3.37Å; F142-F148 HydrophobicContact CG-CE2 3.37Å; F142-F148 HydrophobicContact CG-CG 4.4Å; F142-F148 AromaticContact CG-CZ 3.41Å; F142-F148 HydrophobicContact CG-CZ 3.41Å; F142-F148 VanDerWaalsContact CG-CZ 3.41Å; F142-F148 HydrophobicContact CZ-CE2 4Å; F142-I167 HydrophobicContact CD1-CG2 4.25Å; F142-I167 HydrophobicContact CE1-CG2 4.05Å; F142-D169 HydrophobicContact CZ-CB 4.3Å; F142-A170 HydrophobicContact CD1-CB 4.1Å; F142-A170 HydrophobicContact CE1-CB 3.85Å; F142-A170 HydrophobicContact CZ-CB 4.5Å; F142-L173 HydrophobicContact CE2-CD1 3.55Å; F142-L173 HydrophobicContact CZ-CD1 3.88Å
143	L	79.6	Confident	76.4	Confident	19 Å²	19	40.1 Å²	40.1	10%	0.099	18%	0.184	C	C	.	.	H	α-helix	trans	-64.5	-25.7	174.2	-63.4	-169.3	0	0	0	113.6	V105 V106 L139 L140 E141 I167	V105-L143 HydrophobicContact CG1-CB 4.39Å; V106-L143 HydrophobicContact CG1-CD1 4.22Å; L139-L143 WeakPolarHBondContact O-CG 3.44Å; L139-L143 PolarHBondContact O-N 3.36Å; L139-L143 VanDerWaalsContact O-N 3.12Å; L140-L143 PolarHBondContact O-N 2.89Å; E141-L143 VanDerWaalsContact C-N 3.26Å; E141-L143 PolarHBondContact O-N 2.89Å; L143-I167 HydrophobicContact CD2-CG2 4Å
144	Y	77.4	Confident	76.3	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-104.2	-10	-177.6	-82.2	-92.5	0	0	0	114.7	L74 L77 N78 R81 H102 V105 L140 E141 F142	L74-Y144 CarbonylContact C-O 3.59Å; L74-Y144 VanDerWaalsContact C-O 3.3Å; L74-Y144 WeakPolarHBondContact CB-O 3.38Å; L77-Y144 HydrophobicContact CB-CD1 4.2Å; L77-Y144 HydrophobicContact CB-CE1 4.05Å; N78-Y144 HydrophobicContact CB-CD1 4.08Å; N78-Y144 HydrophobicContact CB-CG 4.45Å; R81-Y144 HydrophobicContact CB-CE1 4.44Å; H102-Y144 PolarHBondContact N-OH 3.21Å; H102-Y144 AromaticContact ND1-CE1 3.68Å; H102-Y144 AromaticContact ND1-CZ 3.79Å; H102-Y144 PolarHBondContact ND1-OH 3.5Å; V105-Y144 HydrophobicContact CB-CE1 4.37Å; V105-Y144 HydrophobicContact CB-CE2 4.23Å; V105-Y144 HydrophobicContact CG1-CD1 4.42Å; V105-Y144 HydrophobicContact CG1-CD2 4.02Å; V105-Y144 HydrophobicContact CG1-CE1 4.13Å; V105-Y144 HydrophobicContact CG1-CE2 3.7Å; V105-Y144 HydrophobicContact CG1-CG 4.38Å; V105-Y144 HydrophobicContact CG2-CE1 4.1Å; L140-Y144 HydrophobicContact CD1-CD2 4.34Å; L140-Y144 HydrophobicContact CD1-CE2 4.02Å; L140-Y144 WeakPolarHBondContact O-CD2 3.36Å; L140-Y144 PolarHBondContact O-N 3.4Å; E141-Y144 CarbonylContact O-C 3.33Å; E141-Y144 WeakPolarHBondContact O-CA 3.45Å; E141-Y144 PolarHBondContact O-N 3.46Å; F142-Y144 PolarHBondContact O-N 2.93Å
145	T	73.1	Confident	76.2	Confident	23 Å²	23	37.7 Å²	37.7	14%	0.141	17%	0.169	C	C	.	.	H	α-helix	trans	-121.9	-23.7	179	62.2	0	0	0	0	113.2	E141 E147	E141-T145 HydrophobicContact CG-CG2 3.68Å; E141-T145 PolarHBondContact O-N 3.1Å; E141-T145 PolarHBondContact O-OG1 3.16Å; T145-E147 PolarHBondContact O-N 3.47Å; T145-E147 PolarHBondContact OG1-N 2.9Å; T145-E147 PolarHBondContact OG1-O 3.09Å
146	S	69	Low	75.9	Confident	3 Å²	3	41.4 Å²	41.4	2%	0.021	19%	0.193	C	C	.	.	S	Bend	trans	57.5	23.8	-160.5	-58	0	0	0	0	113.8	S65 S66 Y69 L74 F142	S65-S146 CarbonylContact C-O 3.59Å; S65-S146 VanDerWaalsContact CA-O 3.31Å; S65-S146 WeakPolarHBondContact CA-O 3.49Å; S66-S146 PolarHBondContact N-O 2.87Å; Y69-S146 WeakPolarHBondContact CD2-OG 3.25Å; L74-S146 WeakPolarHBondContact CD1-OG 3.43Å; F142-S146 WeakPolarHBondContact O-CA 3.43Å; F142-S146 PolarHBondContact O-N 2.68Å
147	E	72.7	Confident	75.7	Confident	50 Å²	50	45.8 Å²	45.8	23%	0.234	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	125.7	-173.5	-77.4	169.3	-163.3	0	0	110.4	L63 L64 K71 T145 F149	L63-E147 HydrophobicContact CD1-CB 3.75Å; L63-E147 HydrophobicContact CD1-CG 3.9Å; L64-E147 CarbonylContact O-C 3.59Å; L64-E147 WeakPolarHBondContact O-CA 3.47Å; K71-E147 IonicContact NZ-OE1 4Å; K71-E147 PolarHBondContact NZ-OE1 2.95Å; T145-E147 PolarHBondContact O-N 3.47Å; T145-E147 PolarHBondContact OG1-N 2.9Å; T145-E147 PolarHBondContact OG1-O 3.09Å; E147-F149 HydrophobicContact CB-CE2 4.29Å
148	F	66.1	Low	75.7	Confident	2 Å²	2	40.7 Å²	40.7	1%	0.009	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	129.6	170.6	-81.2	-71.2	0	0	0	110.5	L63 L64 L139 F142 V150 V158 A170 L173 L174	L63-F148 WeakPolarHBondContact CA-O 3.24Å; L64-F148 HydrophobicContact CB-CB 4.21Å; L64-F148 PolarHBondContact N-O 3.28Å; L64-F148 PolarHBondContact O-N 3.17Å; L139-F148 HydrophobicContact CD2-CE1 3.96Å; L139-F148 HydrophobicContact CD2-CZ 3.94Å; F142-F148 HydrophobicContact CB-CD1 3.97Å; F142-F148 HydrophobicContact CB-CD2 4.3Å; F142-F148 HydrophobicContact CB-CE1 3.6Å; F142-F148 HydrophobicContact CB-CE2 3.95Å; F142-F148 HydrophobicContact CB-CG 4.3Å; F142-F148 HydrophobicContact CB-CZ 3.58Å; F142-F148 AromaticContact CD1-CE2 3.79Å; F142-F148 HydrophobicContact CD1-CE2 3.79Å; F142-F148 AromaticContact CD1-CZ 3.69Å; F142-F148 HydrophobicContact CD1-CZ 3.69Å; F142-F148 AromaticContact CD2-CD2 3.44Å; F142-F148 HydrophobicContact CD2-CD2 3.44Å; F142-F148 VanDerWaalsContact CD2-CD2 3.44Å; F142-F148 HydrophobicContact CD2-CE1 4.47Å; F142-F148 AromaticContact CD2-CE2 3.28Å; F142-F148 HydrophobicContact CD2-CE2 3.28Å; F142-F148 HydrophobicContact CD2-CG 4.11Å; F142-F148 AromaticContact CD2-CZ 3.85Å; F142-F148 HydrophobicContact CD2-CZ 3.85Å; F142-F148 HydrophobicContact CE1-CE2 4.08Å; F142-F148 HydrophobicContact CE1-CZ 4.33Å; F142-F148 AromaticContact CE2-CD2 3.88Å; F142-F148 HydrophobicContact CE2-CD2 3.88Å; F142-F148 AromaticContact CE2-CE2 3.62Å; F142-F148 HydrophobicContact CE2-CE2 3.62Å; F142-F148 HydrophobicContact CE2-CZ 4.47Å; F142-F148 HydrophobicContact CG-CD1 4.44Å; F142-F148 AromaticContact CG-CD2 3.91Å; F142-F148 HydrophobicContact CG-CD2 3.91Å; F142-F148 AromaticContact CG-CE1 3.98Å; F142-F148 HydrophobicContact CG-CE1 3.98Å; F142-F148 AromaticContact CG-CE2 3.37Å; F142-F148 HydrophobicContact CG-CE2 3.37Å; F142-F148 HydrophobicContact CG-CG 4.4Å; F142-F148 AromaticContact CG-CZ 3.41Å; F142-F148 HydrophobicContact CG-CZ 3.41Å; F142-F148 VanDerWaalsContact CG-CZ 3.41Å; F142-F148 HydrophobicContact CZ-CE2 4Å; F148-V150 HydrophobicContact CB-CG2 4.05Å; F148-V150 HydrophobicContact CD1-CG2 3.63Å; F148-V150 HydrophobicContact CG-CG2 4.24Å; F148-V158 HydrophobicContact CD1-CG1 4.48Å; F148-V158 HydrophobicContact CE1-CG1 3.85Å; F148-V158 HydrophobicContact CZ-CG1 4.43Å; F148-A170 HydrophobicContact CE2-CB 3.75Å; F148-A170 HydrophobicContact CZ-CB 3.53Å; F148-L173 HydrophobicContact CD2-CD1 4.32Å; F148-L173 HydrophobicContact CE2-CD1 4.42Å; F148-L174 HydrophobicContact CZ-CD1 4.43Å
149	F	66.8	Low	75.7	Confident	85 Å²	85	39.8 Å²	39.8	37%	0.373	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	92.5	161.2	-64.7	-86.1	0	0	0	107.7	L63 H138 E147	L63-F149 HydrophobicContact CB-CE1 4.31Å; L63-F149 HydrophobicContact CD1-CD1 4.29Å; L63-F149 HydrophobicContact CD1-CD2 4.46Å; L63-F149 HydrophobicContact CD1-CE1 3.81Å; L63-F149 HydrophobicContact CD1-CE2 3.99Å; L63-F149 HydrophobicContact CD1-CZ 3.64Å; L63-F149 HydrophobicContact CD2-CE1 4.25Å; L63-F149 HydrophobicContact CD2-CZ 4.25Å; L63-F149 HydrophobicContact CG-CE1 4.34Å; L63-F149 HydrophobicContact CG-CZ 4.47Å; H138-F149 PolarHBondContact CE1-O 2.86Å; H138-F149 PolarHBondContact ND1-O 3.48Å; E147-F149 HydrophobicContact CB-CE2 4.29Å
150	V	72.1	Confident	75.8	Confident	6 Å²	6	46.1 Å²	46.1	4%	0.036	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	139.8	-170.6	176.1	0	0	0	0	108.8	H138 F148 E154 I155 V158	H138-V150 HydrophobicContact CB-CG2 4.04Å; F148-V150 HydrophobicContact CB-CG2 4.05Å; F148-V150 HydrophobicContact CD1-CG2 3.63Å; F148-V150 HydrophobicContact CG-CG2 4.24Å; V150-E154 HydrophobicContact CG1-CB 3.67Å; V150-I155 HydrophobicContact CG1-CG1 4.1Å; V150-V158 HydrophobicContact CG1-CG2 3.97Å; V150-V158 HydrophobicContact CG2-CG2 4.47Å
151	Y	72.4	Confident	75.8	Confident	66 Å²	66	46.3 Å²	46.3	26%	0.259	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	149.5	175.8	-68.1	-88.5	0	0	0	110.9	R61 Y153 E154	R61-Y151 HydrophobicContact CG-CD1 4.46Å; R61-Y151 HydrophobicContact CG-CE1 3.96Å; R61-Y151 PolarHBondContact NE-OH 3.36Å; R61-Y151 PolarHBondContact NH2-OH 3.16Å; Y151-Y153 HydrophobicContact CD1-CE1 4.21Å; Y151-Y153 AromaticContact CG-CE1 3.81Å; Y151-Y153 HydrophobicContact CG-CE1 3.81Å; Y151-Y153 PolarHBondContact O-N 3.11Å; Y151-E154 WeakPolarHBondContact CB-OE2 3.36Å; Y151-E154 WeakPolarHBondContact CD2-OE2 3.13Å; Y151-E154 PolarHBondContact N-OE2 2.97Å; Y151-E154 WeakPolarHBondContact O-CB 3.35Å; Y151-E154 PolarHBondContact O-N 3.25Å
152	K	67.4	Low	76	Confident	121 Å²	121	43.7 Å²	43.7	53%	0.526	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.8	-34.4	-175.8	-70.2	-175.2	-178.5	175.6	0	114.4
153	Y	74.9	Confident	76.1	Confident	159 Å²	159	49 Å²	49	62%	0.624	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-18.7	-179.8	64.2	-94	0	0	0	113.9	Y151 P156	Y151-Y153 HydrophobicContact CD1-CE1 4.21Å; Y151-Y153 AromaticContact CG-CE1 3.81Å; Y151-Y153 HydrophobicContact CG-CE1 3.81Å; Y151-Y153 PolarHBondContact O-N 3.11Å; Y153-P156 WeakPolarHBondContact O-CD 3.29Å
154	E	75.9	Confident	76.3	Confident	23 Å²	23	52 Å²	52	11%	0.107	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-21.5	-179.9	-59.4	172.5	139.8	0	0	112.2	H138 V150 Y151 P156 L157 V158	H138-E154 IonicContact NE2-OE1 3.6Å; V150-E154 HydrophobicContact CG1-CB 3.67Å; Y151-E154 WeakPolarHBondContact CB-OE2 3.36Å; Y151-E154 WeakPolarHBondContact CD2-OE2 3.13Å; Y151-E154 PolarHBondContact N-OE2 2.97Å; Y151-E154 WeakPolarHBondContact O-CB 3.35Å; Y151-E154 PolarHBondContact O-N 3.25Å; E154-P156 VanDerWaalsContact C-CD 3.41Å; E154-P156 VanDerWaalsContact C-N 3.31Å; E154-P156 VanDerWaalsContact O-N 3.16Å; E154-L157 PolarHBondContact O-N 3.35Å; E154-V158 HydrophobicContact CB-CG2 4.25Å; E154-V158 WeakPolarHBondContact O-CG2 3.47Å; E154-V158 PolarHBondContact O-N 3.29Å
155	I	76.8	Confident	76.5	Confident	24 Å²	24	52 Å²	52	12%	0.123	24%	0.243	C	C	.	.	H	α-helix	trans	-47.7	-43.5	-177.2	-66.7	175.8	0	0	0	113.2	V150 L159 L174	V150-I155 HydrophobicContact CG1-CG1 4.1Å; I155-L159 WeakPolarHBondContact O-CB 3.15Å; I155-L159 PolarHBondContact O-N 3.05Å; I155-L174 HydrophobicContact CG2-CD2 4.2Å
156	P	77.5	Confident	77	Confident	82 Å²	82	53.7 Å²	53.7	53%	0.532	25%	0.251	S	S	.	.	H	α-helix	trans	-63.6	-43.9	176.9	-22.1	35	0	0	0	113.2	Y153 E154 L159 E160	Y153-P156 WeakPolarHBondContact O-CD 3.29Å; E154-P156 VanDerWaalsContact C-CD 3.41Å; E154-P156 VanDerWaalsContact C-N 3.31Å; E154-P156 VanDerWaalsContact O-N 3.16Å; P156-L159 PolarHBondContact O-N 2.98Å; P156-E160 PolarHBondContact O-N 3.04Å
157	L	79.9	Confident	77.7	Confident	95 Å²	95	53.7 Å²	53.7	50%	0.497	25%	0.251	S	S	.	.	H	α-helix	trans	-68.4	-42.2	-179.5	-57.6	173.7	0	0	0	111.2	V135 E154 L159 E160 A161	V135-L157 HydrophobicContact CG2-CB 3.9Å; E154-L157 PolarHBondContact O-N 3.35Å; L157-L159 VanDerWaalsContact C-N 3.32Å; L157-L159 PolarHBondContact O-N 3.24Å; L157-E160 PolarHBondContact O-N 3.13Å; L157-A161 WeakPolarHBondContact O-CB 3.45Å; L157-A161 PolarHBondContact O-N 3.24Å
158	V	82.2	Confident	78.1	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-65.3	-36.1	174.5	-179.1	0	0	0	0	111	V135 L139 F148 V150 E154 A162 L174	V135-V158 HydrophobicContact CB-CG2 4.48Å; V135-V158 HydrophobicContact CG1-CB 4.43Å; V135-V158 HydrophobicContact CG1-CG2 4.06Å; V135-V158 HydrophobicContact CG2-CG2 4.14Å; L139-V158 HydrophobicContact CD2-CG1 3.73Å; L139-V158 HydrophobicContact CG-CG1 4.15Å; F148-V158 HydrophobicContact CD1-CG1 4.48Å; F148-V158 HydrophobicContact CE1-CG1 3.85Å; F148-V158 HydrophobicContact CZ-CG1 4.43Å; V150-V158 HydrophobicContact CG1-CG2 3.97Å; V150-V158 HydrophobicContact CG2-CG2 4.47Å; E154-V158 HydrophobicContact CB-CG2 4.25Å; E154-V158 WeakPolarHBondContact O-CG2 3.47Å; E154-V158 PolarHBondContact O-N 3.29Å; V158-A162 WeakPolarHBondContact O-CB 3.42Å; V158-A162 PolarHBondContact O-N 3.03Å; V158-L174 HydrophobicContact CB-CD1 4.44Å; V158-L174 HydrophobicContact CG1-CD1 3.85Å
159	L	81.6	Confident	78.5	Confident	12 Å²	12	56.6 Å²	56.6	6%	0.063	27%	0.267	C	S	.	.	H	α-helix	trans	-69.1	-37.3	174.4	175.1	62	0	0	0	112.6	I155 P156 L157 K163 V171 L174 N175	I155-L159 WeakPolarHBondContact O-CB 3.15Å; I155-L159 PolarHBondContact O-N 3.05Å; P156-L159 PolarHBondContact O-N 2.98Å; L157-L159 VanDerWaalsContact C-N 3.32Å; L157-L159 PolarHBondContact O-N 3.24Å; L159-K163 WeakPolarHBondContact O-CD 3.29Å; L159-K163 VanDerWaalsContact O-CG 3.27Å; L159-K163 WeakPolarHBondContact O-CG 3.33Å; L159-K163 PolarHBondContact O-N 3.13Å; L159-K163 VanDerWaalsContact O-N 3.12Å; L159-V171 HydrophobicContact CD1-CB 4.45Å; L159-V171 HydrophobicContact CD1-CG1 4.07Å; L159-L174 HydrophobicContact CB-CB 4.3Å; L159-L174 HydrophobicContact CB-CD1 4.24Å; L159-L174 HydrophobicContact CD1-CB 3.98Å; L159-N175 WeakPolarHBondContact CD1-OD1 3.31Å
160	E	82.6	Confident	79.1	Confident	133 Å²	133	52.5 Å²	52.5	62%	0.621	25%	0.249	S	C	*	.	H	α-helix	trans	-67.5	-50.1	175.6	-176.5	161.5	-152.2	0	0	111.5	P156 L157 A162 K163 F164	P156-E160 PolarHBondContact O-N 3.04Å; L157-E160 PolarHBondContact O-N 3.13Å; E160-A162 VanDerWaalsContact C-N 3.31Å; E160-A162 PolarHBondContact O-N 2.81Å; E160-K163 WeakPolarHBondContact O-CB 3.45Å; E160-K163 PolarHBondContact O-N 3.1Å; E160-K163 VanDerWaalsContact O-N 3.08Å; E160-F164 PolarHBondContact O-N 2.88Å
161	A	83.2	Confident	79.5	Confident	7 Å²	7	53.4 Å²	53.4	6%	0.058	26%	0.255	C	S	.	.	H	α-helix	trans	-62.9	-34.7	174.7	0	0	0	0	0	112.9	V131 V135 L139 L157 K163 F164 L165	V131-A161 HydrophobicContact CG1-CB 3.7Å; V131-A161 HydrophobicContact CG2-CB 4.14Å; V135-A161 HydrophobicContact CG1-CB 3.4Å; L139-A161 HydrophobicContact CD1-CB 3.57Å; L157-A161 WeakPolarHBondContact O-CB 3.45Å; L157-A161 PolarHBondContact O-N 3.24Å; A161-K163 VanDerWaalsContact C-N 3.31Å; A161-K163 PolarHBondContact O-N 2.81Å; A161-F164 PolarHBondContact O-N 3.34Å; A161-L165 WeakPolarHBondContact O-CB 3.49Å; A161-L165 WeakPolarHBondContact O-CG 3.38Å; A161-L165 PolarHBondContact O-N 3.3Å
162	A	83.6	Confident	79.8	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-65.3	-32.1	173.1	0	0	0	0	0	113	L139 V158 E160 D166 I167 A170 V171 L174	L139-A162 HydrophobicContact CD2-CB 3.87Å; V158-A162 WeakPolarHBondContact O-CB 3.42Å; V158-A162 PolarHBondContact O-N 3.03Å; E160-A162 VanDerWaalsContact C-N 3.31Å; E160-A162 PolarHBondContact O-N 2.81Å; A162-D166 WeakPolarHBondContact O-CA 3.38Å; A162-D166 PolarHBondContact O-N 3.2Å; A162-I167 PolarHBondContact O-N 3.17Å; A162-A170 HydrophobicContact CB-CB 3.9Å; A162-V171 HydrophobicContact CB-CG2 3.71Å; A162-L174 HydrophobicContact CB-CD1 4.48Å
163	K	84	Confident	80.2	Confident	118 Å²	118	51.3 Å²	51.3	51%	0.513	25%	0.249	S	C	.	.	H	α-helix	trans	-72.8	-44.4	172	-69.8	161.3	-176.1	167.7	0	111.1	L159 E160 A161 L165 D166 V171	L159-K163 WeakPolarHBondContact O-CD 3.29Å; L159-K163 VanDerWaalsContact O-CG 3.27Å; L159-K163 WeakPolarHBondContact O-CG 3.33Å; L159-K163 PolarHBondContact O-N 3.13Å; L159-K163 VanDerWaalsContact O-N 3.12Å; E160-K163 WeakPolarHBondContact O-CB 3.45Å; E160-K163 PolarHBondContact O-N 3.1Å; E160-K163 VanDerWaalsContact O-N 3.08Å; A161-K163 VanDerWaalsContact C-N 3.31Å; A161-K163 PolarHBondContact O-N 2.81Å; K163-L165 PolarHBondContact O-N 3.23Å; K163-D166 PolarHBondContact O-N 3.28Å; K163-D166 VanDerWaalsContact O-N 3.11Å; K163-V171 HydrophobicContact CG-CG1 4.29Å; K163-V171 HydrophobicContact CG-CG2 3.93Å
164	F	83.4	Confident	80.2	Confident	84 Å²	84	43.8 Å²	43.8	37%	0.368	22%	0.219	S	C	.	.	H	α-helix	trans	-59.9	-43.3	178.6	-179.6	-99.7	0	0	0	112.4	L128 H130 V131 E160 A161 D166	L128-F164 HydrophobicContact CD2-CE1 4.41Å; H130-F164 HydrophobicContact CB-CE1 4.27Å; H130-F164 HydrophobicContact CB-CE2 4.29Å; H130-F164 HydrophobicContact CB-CZ 3.97Å; H130-F164 AromaticContact CD2-CZ 3.88Å; V131-F164 HydrophobicContact CG2-CD1 3.83Å; V131-F164 HydrophobicContact CG2-CE1 4.28Å; E160-F164 PolarHBondContact O-N 2.88Å; A161-F164 PolarHBondContact O-N 3.34Å; F164-D166 VanDerWaalsContact C-N 3.29Å; F164-D166 PolarHBondContact O-N 2.87Å
165	L	82.2	Confident	80.1	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	4.7	177.1	-60.8	176.2	0	0	0	113.7	S110 Y112 F113 L128 V131 F136 L139 A161 K163 I167	S110-L165 WeakPolarHBondContact CB-O 3.21Å; S110-L165 PolarHBondContact OG-O 3.29Å; Y112-L165 WeakPolarHBondContact CB-O 3.18Å; Y112-L165 HydrophobicContact CD1-CD2 3.9Å; Y112-L165 HydrophobicContact CE1-CD2 4.18Å; Y112-L165 HydrophobicContact CG-CD2 4.34Å; F113-L165 HydrophobicContact CE2-CD1 4.32Å; F113-L165 HydrophobicContact CE2-CD2 3.95Å; F113-L165 HydrophobicContact CZ-CD2 4.43Å; L128-L165 HydrophobicContact CD1-CD1 4.31Å; L128-L165 HydrophobicContact CD1-CD2 3.94Å; L128-L165 HydrophobicContact CD2-CD2 3.85Å; V131-L165 HydrophobicContact CG2-CD1 4.49Å; F136-L165 HydrophobicContact CD2-CD1 3.85Å; F136-L165 HydrophobicContact CE2-CD1 3.87Å; L139-L165 HydrophobicContact CD1-CD1 4.15Å; A161-L165 WeakPolarHBondContact O-CB 3.49Å; A161-L165 WeakPolarHBondContact O-CG 3.38Å; A161-L165 PolarHBondContact O-N 3.3Å; K163-L165 PolarHBondContact O-N 3.23Å; L165-I167 VanDerWaalsContact C-N 3.32Å; L165-I167 HydrophobicContact CB-CD1 3.99Å; L165-I167 HydrophobicContact CB-CG1 3.96Å; L165-I167 HydrophobicContact CD1-CD1 4.32Å; L165-I167 PolarHBondContact O-N 3.39Å
166	D	82.9	Confident	79.5	Confident	58 Å²	58	49.9 Å²	49.9	31%	0.31	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	40.2	55.3	-174.3	-166.3	28.5	0	0	0	114	S111 A162 K163 F164 I168	S111-D166 WeakPolarHBondContact CB-OD2 3.49Å; S111-D166 PolarHBondContact N-O 2.96Å; S111-D166 WeakPolarHBondContact OG-CB 3.3Å; S111-D166 PolarHBondContact OG-OD2 3.38Å; A162-D166 WeakPolarHBondContact O-CA 3.38Å; A162-D166 PolarHBondContact O-N 3.2Å; K163-D166 PolarHBondContact O-N 3.28Å; K163-D166 VanDerWaalsContact O-N 3.11Å; F164-D166 VanDerWaalsContact C-N 3.29Å; F164-D166 PolarHBondContact O-N 2.87Å; D166-I168 VanDerWaalsContact C-N 3.33Å; D166-I168 PolarHBondContact O-N 3.29Å; D166-I168 WeakPolarHBondContact OD1-CG1 3.45Å
167	I	84.4	Confident	78.4	Confident	3 Å²	3	48.5 Å²	48.5	2%	0.015	24%	0.239	C	C	.	.			trans	-91.5	74.5	173.7	-55.9	175.4	0	0	0	107	L139 F142 L143 A162 L165 D169 A170 V171	L139-I167 HydrophobicContact CB-CD1 4.14Å; L139-I167 HydrophobicContact CD1-CD1 4.46Å; L139-I167 HydrophobicContact CD2-CD1 4.29Å; F142-I167 HydrophobicContact CD1-CG2 4.25Å; F142-I167 HydrophobicContact CE1-CG2 4.05Å; L143-I167 HydrophobicContact CD2-CG2 4Å; A162-I167 PolarHBondContact O-N 3.17Å; L165-I167 VanDerWaalsContact C-N 3.32Å; L165-I167 HydrophobicContact CB-CD1 3.99Å; L165-I167 HydrophobicContact CB-CG1 3.96Å; L165-I167 HydrophobicContact CD1-CD1 4.32Å; L165-I167 PolarHBondContact O-N 3.39Å; I167-D169 PolarHBondContact O-N 2.88Å; I167-D169 VanDerWaalsContact O-N 3.07Å; I167-A170 HydrophobicContact CB-CB 4.08Å; I167-A170 HydrophobicContact CG2-CB 3.58Å; I167-A170 WeakPolarHBondContact O-CA 3.49Å; I167-A170 WeakPolarHBondContact O-CB 3.44Å; I167-A170 PolarHBondContact O-N 3.35Å; I167-V171 PolarHBondContact O-N 2.93Å; I167-V171 VanDerWaalsContact O-N 3.09Å
168	I	79.6	Confident	76.8	Confident	86 Å²	86	48.6 Å²	48.6	44%	0.441	24%	0.24	S	C	.	.	H	α-helix	trans	-51.1	-38.9	-169.7	-60.6	175.8	0	0	0	112.7	D166 V171 K172	D166-I168 VanDerWaalsContact C-N 3.33Å; D166-I168 PolarHBondContact O-N 3.29Å; D166-I168 WeakPolarHBondContact OD1-CG1 3.45Å; I168-V171 PolarHBondContact O-N 3.25Å; I168-K172 HydrophobicContact CG2-CD 4.45Å; I168-K172 WeakPolarHBondContact O-CG 3.47Å; I168-K172 PolarHBondContact O-N 3.25Å
169	D	76.2	Confident	74.7	Confident	26 Å²	26	54.2 Å²	54.2	14%	0.139	27%	0.274	C	S	.	.	H	α-helix	trans	-74.2	-26.6	-179.5	-72.6	-15.5	0	0	0	113.6	Y69 F142 I167 K172 L173	Y69-D169 PolarHBondContact OH-OD2 2.92Å; Y69-D169 VanDerWaalsContact OH-OD2 3.13Å; F142-D169 HydrophobicContact CZ-CB 4.3Å; I167-D169 PolarHBondContact O-N 2.88Å; I167-D169 VanDerWaalsContact O-N 3.07Å; D169-K172 IonicContact OD1-NZ 2.66Å; D169-K172 PolarHBondContact OD1-NZ 3.11Å; D169-L173 WeakPolarHBondContact O-CG 3.44Å; D169-L173 PolarHBondContact O-N 2.75Å
170	A	78.5	Confident	72.5	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-70.3	-47.2	168.9	0	0	0	0	0	110.8	L139 F142 F148 A162 I167 K172 L173 L174	L139-A170 HydrophobicContact CD2-CB 4.31Å; F142-A170 HydrophobicContact CD1-CB 4.1Å; F142-A170 HydrophobicContact CE1-CB 3.85Å; F142-A170 HydrophobicContact CZ-CB 4.5Å; F148-A170 HydrophobicContact CE2-CB 3.75Å; F148-A170 HydrophobicContact CZ-CB 3.53Å; A162-A170 HydrophobicContact CB-CB 3.9Å; I167-A170 HydrophobicContact CB-CB 4.08Å; I167-A170 HydrophobicContact CG2-CB 3.58Å; I167-A170 WeakPolarHBondContact O-CA 3.49Å; I167-A170 WeakPolarHBondContact O-CB 3.44Å; I167-A170 PolarHBondContact O-N 3.35Å; A170-K172 VanDerWaalsContact C-N 3.27Å; A170-K172 PolarHBondContact O-N 3.08Å; A170-L173 PolarHBondContact O-N 2.95Å; A170-L173 VanDerWaalsContact O-N 3.12Å; A170-L174 HydrophobicContact CB-CD1 4.47Å; A170-L174 WeakPolarHBondContact O-CB 3.49Å; A170-L174 VanDerWaalsContact O-CG 3.32Å; A170-L174 WeakPolarHBondContact O-CG 3.41Å; A170-L174 PolarHBondContact O-N 3.09Å
171	V	79.7	Confident	70.2	Confident	25 Å²	25	55.7 Å²	55.7	15%	0.152	31%	0.305	C	S	.	.	H	α-helix	trans	-57.3	-40.2	178.3	177.7	0	0	0	0	111.4	L159 A162 K163 I167 I168 N175	L159-V171 HydrophobicContact CD1-CB 4.45Å; L159-V171 HydrophobicContact CD1-CG1 4.07Å; A162-V171 HydrophobicContact CB-CG2 3.71Å; K163-V171 HydrophobicContact CG-CG1 4.29Å; K163-V171 HydrophobicContact CG-CG2 3.93Å; I167-V171 PolarHBondContact O-N 2.93Å; I167-V171 VanDerWaalsContact O-N 3.09Å; I168-V171 PolarHBondContact O-N 3.25Å; V171-N175 WeakPolarHBondContact CG1-ND2 3.43Å; V171-N175 VanDerWaalsContact O-CB 3.23Å; V171-N175 WeakPolarHBondContact O-CB 3.49Å; V171-N175 PolarHBondContact O-N 3.26Å; V171-N175 PolarHBondContact O-ND2 3.35Å
172	K	79.2	Confident	67.7	Low	104 Å²	104	63.9 Å²	63.9	45%	0.452	34%	0.34	S	S	.	.	H	α-helix	trans	-61.8	-49.2	173.5	-71.6	167.6	-167.8	149.9	0	112.9	I168 D169 A170 N176	I168-K172 HydrophobicContact CG2-CD 4.45Å; I168-K172 WeakPolarHBondContact O-CG 3.47Å; I168-K172 PolarHBondContact O-N 3.25Å; D169-K172 IonicContact OD1-NZ 2.66Å; D169-K172 PolarHBondContact OD1-NZ 3.11Å; A170-K172 VanDerWaalsContact C-N 3.27Å; A170-K172 PolarHBondContact O-N 3.08Å; K172-N176 PolarHBondContact O-N 2.9Å; K172-N176 PolarHBondContact O-ND2 2.72Å; K172-N176 PolarHBondContact O-OD1 3.26Å
173	L	75.7	Confident	65.1	Low	39 Å²	39	73.1 Å²	73.1	20%	0.204	38%	0.383	C	S	.	.	H	α-helix	trans	-62.9	-43.6	-178.2	-74.1	173.4	0	0	0	111.7	F142 F148 D169 A170	F142-L173 HydrophobicContact CE2-CD1 3.55Å; F142-L173 HydrophobicContact CZ-CD1 3.88Å; F148-L173 HydrophobicContact CD2-CD1 4.32Å; F148-L173 HydrophobicContact CE2-CD1 4.42Å; D169-L173 WeakPolarHBondContact O-CG 3.44Å; D169-L173 PolarHBondContact O-N 2.75Å; A170-L173 PolarHBondContact O-N 2.95Å; A170-L173 VanDerWaalsContact O-N 3.12Å
174	L	74.9	Confident	62.4	Low	1 Å²	1	73.3 Å²	73.3	1%	0.005	40%	0.399	C	S	.	.	H	α-helix	trans	-74	-35.4	-177.4	-63.3	164.7	0	0	0	112.3	L64 F148 I155 V158 L159 A162 A170	L64-L174 HydrophobicContact CD1-CD2 3.99Å; F148-L174 HydrophobicContact CZ-CD1 4.43Å; I155-L174 HydrophobicContact CG2-CD2 4.2Å; V158-L174 HydrophobicContact CB-CD1 4.44Å; V158-L174 HydrophobicContact CG1-CD1 3.85Å; L159-L174 HydrophobicContact CB-CB 4.3Å; L159-L174 HydrophobicContact CB-CD1 4.24Å; L159-L174 HydrophobicContact CD1-CB 3.98Å; A162-L174 HydrophobicContact CB-CD1 4.48Å; A170-L174 HydrophobicContact CB-CD1 4.47Å; A170-L174 WeakPolarHBondContact O-CB 3.49Å; A170-L174 VanDerWaalsContact O-CG 3.32Å; A170-L174 WeakPolarHBondContact O-CG 3.41Å; A170-L174 PolarHBondContact O-N 3.09Å
175	N	73.6	Confident	59.9	Low	64 Å²	64	78 Å²	78	34%	0.342	42%	0.422	S	S	.	.	H	α-helix	trans	-68.2	-35.5	174.4	-78.7	-20.1	0	0	0	113.1	L159 V171 E177 N178 V179	L159-N175 WeakPolarHBondContact CD1-OD1 3.31Å; V171-N175 WeakPolarHBondContact CG1-ND2 3.43Å; V171-N175 VanDerWaalsContact O-CB 3.23Å; V171-N175 WeakPolarHBondContact O-CB 3.49Å; V171-N175 PolarHBondContact O-N 3.26Å; V171-N175 PolarHBondContact O-ND2 3.35Å; N175-E177 VanDerWaalsContact C-N 3.28Å; N175-E177 PolarHBondContact O-N 2.84Å; N175-N178 PolarHBondContact O-N 3.28Å; N175-V179 PolarHBondContact O-N 2.97Å
176	N	64.1	Low	57.3	Low	111 Å²	111	85.7 Å²	85.7	59%	0.594	46%	0.462	S	S	*	.	H	α-helix	trans	-64.1	-32.8	-178.3	-74.8	-7	0	0	0	112.6	K172 V179 A180	K172-N176 PolarHBondContact O-N 2.9Å; K172-N176 PolarHBondContact O-ND2 2.72Å; K172-N176 PolarHBondContact O-OD1 3.26Å; N176-V179 PolarHBondContact O-N 3.41Å; N176-A180 PolarHBondContact O-N 2.71Å
177	E	54.8	Low	54.5	Low	53 Å²	53	87.8 Å²	87.8	25%	0.248	49%	0.488	C	S	.	.	H	α-helix	trans	-67	-35.7	175.4	-78.3	-90.5	130.5	0	0	112.6	K62 L64 N175 V179 A180 S181	K62-E177 VanDerWaalsContact CD-OE2 3.32Å; K62-E177 WeakPolarHBondContact CD-OE2 3.44Å; K62-E177 WeakPolarHBondContact CE-OE2 3.34Å; K62-E177 IonicContact NZ-OE1 3.95Å; K62-E177 PolarHBondContact NZ-OE1 3.41Å; K62-E177 VanDerWaalsContact NZ-OE1 3.12Å; K62-E177 IonicContact NZ-OE2 2.59Å; K62-E177 PolarHBondContact NZ-OE2 3.08Å; L64-E177 HydrophobicContact CD1-CG 4.23Å; L64-E177 HydrophobicContact CD2-CG 3.88Å; N175-E177 VanDerWaalsContact C-N 3.28Å; N175-E177 PolarHBondContact O-N 2.84Å; E177-V179 VanDerWaalsContact C-N 3.27Å; E177-V179 PolarHBondContact O-N 3.35Å; E177-A180 PolarHBondContact O-N 2.95Å; E177-A180 VanDerWaalsContact O-N 3.11Å; E177-S181 PolarHBondContact O-N 3.06Å
178	N	47.3	Very low	51.7	Low	96 Å²	96	95.4 Å²	95.4	51%	0.513	52%	0.523	S	S	.	.	H	α-helix	trans	-63.6	-32	175.3	-91.9	-17.3	0	0	0	112.7	N175	N175-N178 PolarHBondContact O-N 3.28Å
179	V	37.8	Very low	49.1	Very low	119 Å²	119	99.5 Å²	99.5	72%	0.721	54%	0.538	S	S	*	.	H	α-helix	trans	-73.3	-30.9	175	-176.5	0	0	0	0	111.2	N175 N176 E177 S181	N175-V179 PolarHBondContact O-N 2.97Å; N176-V179 PolarHBondContact O-N 3.41Å; E177-V179 VanDerWaalsContact C-N 3.27Å; E177-V179 PolarHBondContact O-N 3.35Å; V179-S181 VanDerWaalsContact C-N 3.29Å; V179-S181 PolarHBondContact O-N 3.49Å
180	A	34.5	Very low	46.6	Very low	80 Å²	80	103.6 Å²	103.6	66%	0.661	57%	0.568	S	S	*	*	H	α-helix	trans	-77	-8.1	-179.6	0	0	0	0	0	114.5	N176 E177	N176-A180 PolarHBondContact O-N 2.71Å; E177-A180 PolarHBondContact O-N 2.95Å; E177-A180 VanDerWaalsContact O-N 3.11Å
181	S	35.7	Very low	43.9	Very low	96 Å²	96	108.4 Å²	108.4	67%	0.671	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.6	3.8	-175.6	-161.6	0	0	0	0	115.1	E177 V179	E177-S181 PolarHBondContact O-N 3.06Å; V179-S181 VanDerWaalsContact C-N 3.29Å; V179-S181 PolarHBondContact O-N 3.49Å
182	F	29.3	Very low	41.8	Very low	178 Å²	178	112.2 Å²	112.2	78%	0.781	63%	0.627	S	S	*	*	S	Bend	trans	-115.8	62.3	179.3	-88.1	-80.1	0	0	0	112.5
183	H	29.1	Very low	39.1	Very low	195 Å²	195	115.5 Å²	115.5	90%	0.903	64%	0.644	S	S	*	*			trans	-173.7	90.1	156.1	-98	-61.6	0	0	0	111
184	S	27.1	Very low	36.7	Very low	122 Å²	122	121.3 Å²	121.3	85%	0.853	67%	0.67	S	S	*	*			trans	-164.9	78	163.4	-170.5	0	0	0	0	114.2
185	E	30.5	Very low	34.2	Very low	182 Å²	182	127.1 Å²	127.1	85%	0.85	71%	0.706	S	S	*	*			trans	-156.6	137.9	161.8	-103.8	-178.9	-154	0	0	106.1
186	L	27.8	Very low	31.8	Very low	161 Å²	161	130.6 Å²	130.6	84%	0.843	72%	0.724	S	S	*	*			cis	-138.7	157.2	0	-52.4	89	0	0	0	110
187	A	24.2	Very low	29.9	Very low	103 Å²	103	131.8 Å²	131.8	85%	0.851	73%	0.73	S	S	*	*			trans	179.6	126.4	139.1	0	0	0	0	0	112
188	E	26.8	Very low	28.5	Very low	163 Å²	163	138.7 Å²	138.7	76%	0.762	76%	0.763	S	S	*	*			trans	-78.5	169.2	167.9	-47.8	172.2	140.7	0	0	110.2
189	K	24.4	Very low	27.5	Very low	171 Å²	171	141 Å²	141	74%	0.743	77%	0.774	S	S	*	*			cis	-163.6	160.2	45.3	-71.1	-173.4	171.1	178.7	0	114.4
190	S	23.3	Very low	27	Very low	112 Å²	112	141.9 Å²	141.9	78%	0.783	78%	0.78	S	S	*	*			trans	57.7	116.2	142.6	61.1	0	0	0	0	122.4
191	S	22.6	Very low	26.5	Very low	101 Å²	101	142 Å²	142	71%	0.706	79%	0.79	S	S	*	*			trans	-73.6	170.9	141	53	0	0	0	0	111.5
192	P	34.2	Very low	26.5	Very low	105 Å²	105	148.9 Å²	148.9	68%	0.682	80%	0.801	S	S	*	*				-113.3	161.7	82.7	-7.4	28.9	0	0	0	113.4
193	E	23.1	Very low	26.4	Very low	173 Å²	173	148.2 Å²	148.2	81%	0.808	80%	0.804	S	S	*	*				62.2	146	75.2	-49.3	179.4	128.9	0	0	113.2
194	E	24.8	Very low	26.8	Very low	161 Å²	161	143.9 Å²	143.9	75%	0.752	80%	0.796	S	S	*	*			cis	-159.9	166.8	20.6	-152.2	-174.9	-172.7	0	0	112
195	T	24.3	Very low	27.3	Very low	124 Å²	124	143.3 Å²	143.3	76%	0.761	78%	0.783	S	S	*	*			trans	62.1	174.1	163	68.6	0	0	0	0	119.7
196	L	22.6	Very low	27.9	Very low	137 Å²	137	140 Å²	140	72%	0.717	77%	0.772	S	S	*	*				-172.6	139.8	-56.2	178.1	61.8	0	0	0	107.2
197	N	23.6	Very low	29.6	Very low	136 Å²	136	134.8 Å²	134.8	73%	0.727	74%	0.743	S	S	*	*			trans	32.6	124.1	163.4	-62	-20.6	0	0	0	120.7
198	E	24.6	Very low	31.3	Very low	198 Å²	198	134.1 Å²	134.1	93%	0.925	72%	0.722	S	S	*	*				-143.6	150.7	122.9	-140.9	178.4	-161.2	0	0	112.3
199	L	28.2	Very low	33.2	Very low	145 Å²	145	126.4 Å²	126.4	76%	0.759	69%	0.686	S	S	*	*			trans	-118.7	164.2	-172.7	-88.4	166.1	0	0	0	111.7
200	T	26.9	Very low	34.9	Very low	136 Å²	136	127.9 Å²	127.9	83%	0.834	69%	0.693	S	S	*	*			trans	61.9	82.5	159.7	46.1	0	0	0	0	118.8
201	G	24.1	Very low	36.5	Very low	84 Å²	84	129.5 Å²	129.5	87%	0.866	69%	0.686	S	S	*	*			trans	-109.7	58.5	163.5	0	0	0	0	0	114.5	L203	G201-L203 PolarHBondContact O-N 3.03Å
202	R	34.9	Very low	38.7	Very low	240 Å²	240	126.9 Å²	126.9	91%	0.906	67%	0.667	S	S	*	*			trans	-76.4	108.4	174.9	-93.5	-164.9	179.8	-163	4.2	111.2
203	L	28.2	Very low	39.9	Very low	164 Å²	164	125.8 Å²	125.8	86%	0.859	66%	0.662	S	S	*	*			trans	-125.8	113.6	159.8	-80.2	175.8	0	0	0	111.9	G201 N205	G201-L203 PolarHBondContact O-N 3.03Å; L203-N205 PolarHBondContact O-N 3.1Å
204	S	36.9	Very low	41.8	Very low	104 Å²	104	125.6 Å²	125.6	73%	0.727	65%	0.653	S	S	*	*			trans	-76.9	118	178.9	-64.4	0	0	0	0	111.3
205	N	36.5	Very low	43.5	Very low	109 Å²	109	122.6 Å²	122.6	58%	0.583	64%	0.639	S	S	*	*			trans	-113.2	73.6	169.8	-90.2	-59.7	0	0	0	111.4	L203 H207	L203-N205 PolarHBondContact O-N 3.1Å; N205-H207 PolarHBondContact O-N 3.42Å
206	N	44.5	Very low	45.7	Very low	114 Å²	114	119 Å²	119	61%	0.61	61%	0.613	S	S	*	*			trans	-81.6	85	175.7	-95.1	-37.4	0	0	0	111.2	Q208 H215	N206-Q208 PolarHBondContact O-N 3.35Å; N206-H215 VanDerWaalsContact CG-ND1 3.32Å; N206-H215 PolarHBondContact OD1-ND1 3.41Å
207	H	62.4	Low	47.1	Very low	50 Å²	50	117.3 Å²	117.3	23%	0.231	61%	0.612	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-81.3	86	174.3	-52.7	-54.9	0	0	0	111	N205 F216 K219 L222	N205-H207 PolarHBondContact O-N 3.42Å; H207-F216 WeakPolarHBondContact CB-O 3.5Å; H207-F216 PolarHBondContact N-O 2.85Å; H207-F216 PolarHBondContact O-N 3.23Å; H207-K219 PolarHBondContact CD2-N 3.15Å; H207-L222 HydrophobicContact CB-CB 4.44Å; H207-L222 HydrophobicContact CB-CD2 3.93Å
208	Q	60.3	Low	49	Very low	90 Å²	90	118.9 Å²	118.9	42%	0.421	61%	0.609	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-84.3	136.7	179.8	-165.3	-178.7	30.6	0	0	112.7	N206 K210 S213 R214 H215	N206-Q208 PolarHBondContact O-N 3.35Å; Q208-K210 PolarHBondContact O-N 2.89Å; Q208-S213 WeakPolarHBondContact CG-O 3.49Å; Q208-S213 PolarHBondContact NE2-O 2.94Å; Q208-R214 CarbonylContact C-O 3.57Å; Q208-R214 WeakPolarHBondContact CA-O 3.34Å; Q208-H215 VanDerWaalsContact CD-NE2 3.33Å; Q208-H215 PolarHBondContact NE2-NE2 3.18Å; Q208-H215 VanDerWaalsContact NE2-NE2 3.16Å
209	C	65.7	Low	50.6	Low	1 Å²	1	115.8 Å²	115.8	1%	0.007	59%	0.592	C	S	.	*			trans	-78.4	111.5	171.9	-177.9	0	0	0	0	111.1	F211 C212 S213 R214 F216 L222	C209-F211 PolarHBondContact O-N 3.18Å; C209-C212 PolarHBondContact O-N 3.37Å; C209-S213 WeakPolarHBondContact O-CA 3.44Å; C209-S213 PolarHBondContact O-N 3.4Å; C209-R214 PolarHBondContact N-O 3.2Å; C209-F216 HydrophobicContact CB-CE2 4.09Å; C209-L222 HydrophobicContact CB-CD1 3.62Å
210	K	60.4	Low	52.4	Low	202 Å²	202	116.6 Å²	116.6	88%	0.878	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62	-10.6	-178.7	-66.6	-170.1	175.3	-173	0	115.6	Q208	Q208-K210 PolarHBondContact O-N 2.89Å
211	F	58.5	Low	54.3	Low	146 Å²	146	112.8 Å²	112.8	64%	0.64	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.4	-10.5	-179.1	-59.8	-71.7	0	0	0	114.7	C209 L226 H230	C209-F211 PolarHBondContact O-N 3.18Å; F211-L226 HydrophobicContact CD2-CD2 3.96Å; F211-L226 HydrophobicContact CE2-CD2 4.38Å; F211-H230 VanDerWaalsContact CB-CE1 3.44Å; F211-H230 WeakPolarHBondContact CB-CE1 3.45Å
212	C	68.9	Low	56.5	Low	46 Å²	46	110.1 Å²	110.1	31%	0.311	53%	0.534	S	S	.	.	T	Hydrogen-bonded Turn	trans	-149.1	13.6	176.4	70.3	0	0	0	0	114.3	C209 R214 H225	C209-C212 PolarHBondContact O-N 3.37Å; C212-R214 PolarHBondContact O-N 3.43Å; C212-H225 PolarHBondContact SG-NE2 2.76Å
213	S	58.7	Low	57.9	Low	82 Å²	82	102.8 Å²	102.8	57%	0.573	51%	0.51	S	S	*	.			trans	56	9.2	176.4	-54.4	0	0	0	0	117	Q208 C209 H215	Q208-S213 WeakPolarHBondContact CG-O 3.49Å; Q208-S213 PolarHBondContact NE2-O 2.94Å; C209-S213 WeakPolarHBondContact O-CA 3.44Å; C209-S213 PolarHBondContact O-N 3.4Å; S213-H215 PolarHBondContact O-CD2 2.98Å
214	R	62.3	Low	59.8	Low	168 Å²	168	98.8 Å²	98.8	63%	0.634	49%	0.49	S	S	*	.			trans	-76.7	137.1	178.4	-73.9	179	169.8	139	-1.5	112.4	Q208 C209 C212 F216	Q208-R214 CarbonylContact C-O 3.57Å; Q208-R214 WeakPolarHBondContact CA-O 3.34Å; C209-R214 PolarHBondContact N-O 3.2Å; C212-R214 PolarHBondContact O-N 3.43Å; R214-F216 HydrophobicContact CB-CE2 3.92Å; R214-F216 HydrophobicContact CB-CZ 4.21Å; R214-F216 WeakPolarHBondContact O-CD2 3.31Å; R214-F216 WeakPolarHBondContact O-CE2 3.43Å
215	H	60.8	Low	61.6	Low	98 Å²	98	95.1 Å²	95.1	45%	0.454	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	146.1	178.6	-71.7	-123.6	0	0	0	111.8	N206 Q208 S213	N206-H215 VanDerWaalsContact CG-ND1 3.32Å; N206-H215 PolarHBondContact OD1-ND1 3.41Å; Q208-H215 VanDerWaalsContact CD-NE2 3.33Å; Q208-H215 PolarHBondContact NE2-NE2 3.18Å; Q208-H215 VanDerWaalsContact NE2-NE2 3.16Å; S213-H215 PolarHBondContact O-CD2 2.98Å
216	F	70.4	Confident	63.2	Low	48 Å²	48	92.2 Å²	92.2	21%	0.211	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	135.8	177.5	-62.5	-91	0	0	0	110.6	H207 C209 R214 Y218 L222 H225	H207-F216 WeakPolarHBondContact CB-O 3.5Å; H207-F216 PolarHBondContact N-O 2.85Å; H207-F216 PolarHBondContact O-N 3.23Å; C209-F216 HydrophobicContact CB-CE2 4.09Å; R214-F216 HydrophobicContact CB-CE2 3.92Å; R214-F216 HydrophobicContact CB-CZ 4.21Å; R214-F216 WeakPolarHBondContact O-CD2 3.31Å; R214-F216 WeakPolarHBondContact O-CE2 3.43Å; F216-Y218 PolarHBondContact O-N 3.5Å; F216-L222 HydrophobicContact CB-CB 4.26Å; F216-L222 HydrophobicContact CD2-CB 4.21Å; F216-L222 HydrophobicContact CD2-CD1 3.9Å; F216-L222 HydrophobicContact CE2-CD1 4.13Å; F216-L222 HydrophobicContact CG-CB 4.33Å; F216-H225 HydrophobicContact CE1-CB 4.02Å; F216-H225 HydrophobicContact CE2-CB 4.35Å; F216-H225 AromaticContact CE2-CD2 3.35Å; F216-H225 WeakPolarHBondContact CE2-CD2 3.48Å; F216-H225 AromaticContact CE2-CG 3.96Å; F216-H225 AromaticContact CE2-NE2 3.96Å; F216-H225 HydrophobicContact CZ-CB 3.78Å; F216-H225 AromaticContact CZ-CD2 3.27Å; F216-H225 WeakPolarHBondContact CZ-CD2 3.17Å; F216-H225 AromaticContact CZ-CG 3.42Å; F216-H225 VanDerWaalsContact CZ-CG 3.42Å; F216-H225 AromaticContact CZ-NE2 3.84Å
217	C	51.9	Low	64.3	Low	102 Å²	102	88.8 Å²	88.8	69%	0.689	43%	0.433	S	S	*	.	S	Bend	trans	-73.1	-11.4	-176.9	-44.3	0	0	0	0	114.3
218	Y	63.3	Low	64.4	Low	169 Å²	169	93.6 Å²	93.6	66%	0.663	45%	0.453	S	S	*	.	S	Bend	trans	-143.1	133.9	-176.9	-54.5	-72.6	0	0	0	111.4	F216 K220 S221 L222	F216-Y218 PolarHBondContact O-N 3.5Å; Y218-K220 VanDerWaalsContact C-N 3.3Å; Y218-K220 PolarHBondContact O-N 2.93Å; Y218-S221 WeakPolarHBondContact O-CB 3.37Å; Y218-S221 PolarHBondContact O-N 2.82Å; Y218-L222 PolarHBondContact O-N 3.2Å
219	K	58.6	Low	64.4	Low	134 Å²	134	93.2 Å²	93.2	58%	0.583	46%	0.457	S	S	*	.	H	α-helix	trans	-52.3	-43.9	179	-171	-176.7	177.9	-172.4	0	113.1	H207 S221 L222 E223	H207-K219 PolarHBondContact CD2-N 3.15Å; K219-S221 PolarHBondContact O-N 2.96Å; K219-L222 WeakPolarHBondContact O-CB 3.37Å; K219-L222 PolarHBondContact O-N 3.3Å; K219-L222 VanDerWaalsContact O-N 3.08Å; K219-E223 WeakPolarHBondContact CE-OE1 3.44Å; K219-E223 WeakPolarHBondContact O-CG 3.45Å; K219-E223 PolarHBondContact O-N 3.46Å
220	K	65.3	Low	64.2	Low	162 Å²	162	94.6 Å²	94.6	70%	0.704	46%	0.463	S	S	*	.	H	α-helix	trans	-61.6	-22.8	177.1	-111	173.7	-178.9	169.6	0	114.5	Y218 N224	Y218-K220 VanDerWaalsContact C-N 3.3Å; Y218-K220 PolarHBondContact O-N 2.93Å; K220-N224 WeakPolarHBondContact O-CB 3.35Å; K220-N224 PolarHBondContact O-N 3.33Å; K220-N224 VanDerWaalsContact O-N 3.17Å; K220-N224 PolarHBondContact O-ND2 2.98Å
221	S	68.1	Low	63.8	Low	56 Å²	56	92.6 Å²	92.6	39%	0.392	45%	0.45	S	S	.	.	H	α-helix	trans	-82.7	-38.3	173.7	-64.6	0	0	0	0	111.9	Y218 K219 N224 H225	Y218-S221 WeakPolarHBondContact O-CB 3.37Å; Y218-S221 PolarHBondContact O-N 2.82Å; K219-S221 PolarHBondContact O-N 2.96Å; S221-N224 PolarHBondContact O-N 2.64Å; S221-H225 WeakPolarHBondContact O-CB 2.99Å; S221-H225 PolarHBondContact O-N 2.92Å
222	L	69.6	Low	63.4	Low	27 Å²	27	91.1 Å²	91.1	14%	0.141	46%	0.458	C	S	.	.	H	α-helix	trans	-63	-44.4	170.7	174	59	0	0	0	111	H207 C209 F216 Y218 K219 N224 H225 L226	H207-L222 HydrophobicContact CB-CB 4.44Å; H207-L222 HydrophobicContact CB-CD2 3.93Å; C209-L222 HydrophobicContact CB-CD1 3.62Å; F216-L222 HydrophobicContact CB-CB 4.26Å; F216-L222 HydrophobicContact CD2-CB 4.21Å; F216-L222 HydrophobicContact CD2-CD1 3.9Å; F216-L222 HydrophobicContact CE2-CD1 4.13Å; F216-L222 HydrophobicContact CG-CB 4.33Å; Y218-L222 PolarHBondContact O-N 3.2Å; K219-L222 WeakPolarHBondContact O-CB 3.37Å; K219-L222 PolarHBondContact O-N 3.3Å; K219-L222 VanDerWaalsContact O-N 3.08Å; L222-N224 PolarHBondContact O-N 2.86Å; L222-H225 WeakPolarHBondContact O-CB 3.34Å; L222-H225 PolarHBondContact O-N 3.46Å; L222-H225 VanDerWaalsContact O-N 3.17Å; L222-L226 HydrophobicContact CD1-CD1 4.13Å; L222-L226 HydrophobicContact CD1-CG 4.13Å; L222-L226 HydrophobicContact CG-CD1 4.13Å; L222-L226 WeakPolarHBondContact O-CG 3.41Å; L222-L226 PolarHBondContact O-N 2.95Å
223	E	63.7	Low	62.6	Low	86 Å²	86	95.8 Å²	95.8	40%	0.402	48%	0.479	S	S	.	.	H	α-helix	trans	-59.8	-45.4	174.6	-71.4	164.7	174	0	0	111.6	K219 H225 L226 A227	K219-E223 WeakPolarHBondContact CE-OE1 3.44Å; K219-E223 WeakPolarHBondContact O-CG 3.45Å; K219-E223 PolarHBondContact O-N 3.46Å; E223-H225 VanDerWaalsContact C-N 3.31Å; E223-H225 PolarHBondContact O-N 2.93Å; E223-L226 PolarHBondContact O-N 3.43Å; E223-A227 WeakPolarHBondContact O-CB 3.41Å; E223-A227 PolarHBondContact O-N 3.22Å
224	N	68.6	Low	61.9	Low	81 Å²	81	97.5 Å²	97.5	43%	0.433	48%	0.481	S	S	.	.	H	α-helix	trans	-62.1	-36.3	173.8	-102.7	-89.6	0	0	0	113.2	K220 S221 L222 K228	K220-N224 WeakPolarHBondContact O-CB 3.35Å; K220-N224 PolarHBondContact O-N 3.33Å; K220-N224 VanDerWaalsContact O-N 3.17Å; K220-N224 PolarHBondContact O-ND2 2.98Å; S221-N224 PolarHBondContact O-N 2.64Å; L222-N224 PolarHBondContact O-N 2.86Å; N224-K228 VanDerWaalsContact O-CB 3.32Å; N224-K228 WeakPolarHBondContact O-CB 3.48Å; N224-K228 WeakPolarHBondContact O-CD 3.37Å; N224-K228 WeakPolarHBondContact O-CG 3.36Å; N224-K228 PolarHBondContact O-N 3.11Å; N224-K228 PolarHBondContact OD1-NZ 3.44Å
225	H	74.1	Confident	60.8	Low	27 Å²	27	97 Å²	97	13%	0.125	49%	0.49	C	S	.	.	H	α-helix	trans	-67.8	-49.8	177.6	167.2	53.8	0	0	0	110.9	C212 F216 S221 L222 E223 A227 K228 T229	C212-H225 PolarHBondContact SG-NE2 2.76Å; F216-H225 HydrophobicContact CE1-CB 4.02Å; F216-H225 HydrophobicContact CE2-CB 4.35Å; F216-H225 AromaticContact CE2-CD2 3.35Å; F216-H225 WeakPolarHBondContact CE2-CD2 3.48Å; F216-H225 AromaticContact CE2-CG 3.96Å; F216-H225 AromaticContact CE2-NE2 3.96Å; F216-H225 HydrophobicContact CZ-CB 3.78Å; F216-H225 AromaticContact CZ-CD2 3.27Å; F216-H225 WeakPolarHBondContact CZ-CD2 3.17Å; F216-H225 AromaticContact CZ-CG 3.42Å; F216-H225 VanDerWaalsContact CZ-CG 3.42Å; F216-H225 AromaticContact CZ-NE2 3.84Å; S221-H225 WeakPolarHBondContact O-CB 2.99Å; S221-H225 PolarHBondContact O-N 2.92Å; L222-H225 WeakPolarHBondContact O-CB 3.34Å; L222-H225 PolarHBondContact O-N 3.46Å; L222-H225 VanDerWaalsContact O-N 3.17Å; E223-H225 VanDerWaalsContact C-N 3.31Å; E223-H225 PolarHBondContact O-N 2.93Å; H225-A227 PolarHBondContact O-N 3.33Å; H225-K228 PolarHBondContact O-N 3.15Å; H225-T229 PolarHBondContact CE1-OG1 2.94Å; H225-T229 PolarHBondContact ND1-OG1 2.84Å; H225-T229 VanDerWaalsContact ND1-OG1 3.17Å; H225-T229 PolarHBondContact O-N 2.84Å; H225-T229 PolarHBondContact O-OG1 3.35Å
226	L	70.4	Confident	59.4	Low	48 Å²	48	96 Å²	96	25%	0.251	51%	0.506	S	S	.	.	H	α-helix	trans	-57.2	-49.2	174.6	-68.3	169	0	0	0	111.2	F211 L222 E223 K228 H230 R231	F211-L226 HydrophobicContact CD2-CD2 3.96Å; F211-L226 HydrophobicContact CE2-CD2 4.38Å; L222-L226 HydrophobicContact CD1-CD1 4.13Å; L222-L226 HydrophobicContact CD1-CG 4.13Å; L222-L226 HydrophobicContact CG-CD1 4.13Å; L222-L226 WeakPolarHBondContact O-CG 3.41Å; L222-L226 PolarHBondContact O-N 2.95Å; E223-L226 PolarHBondContact O-N 3.43Å; L226-K228 PolarHBondContact O-N 2.95Å; L226-K228 VanDerWaalsContact O-N 3.13Å; L226-H230 CarbonylContact O-C 3.49Å; L226-H230 WeakPolarHBondContact O-CA 3.36Å; L226-H230 PolarHBondContact O-N 3.4Å; L226-R231 PolarHBondContact O-N 3.46Å
227	A	67.4	Low	57.6	Low	42 Å²	42	103.4 Å²	103.4	35%	0.347	54%	0.538	S	S	.	.	H	α-helix	trans	-70.7	-4.2	-178.7	0	0	0	0	0	115.4	E223 H225 R231	E223-A227 WeakPolarHBondContact O-CB 3.41Å; E223-A227 PolarHBondContact O-N 3.22Å; H225-A227 PolarHBondContact O-N 3.33Å; A227-R231 WeakPolarHBondContact O-CD 3.22Å; A227-R231 PolarHBondContact O-NH1 3.42Å
228	K	65.9	Low	56.5	Low	150 Å²	150	107.7 Å²	107.7	65%	0.652	55%	0.545	S	S	*	.	H	α-helix	trans	-114.8	-37.1	175.3	-75.8	171.4	175	153	0	113.8	N224 H225 L226	N224-K228 VanDerWaalsContact O-CB 3.32Å; N224-K228 WeakPolarHBondContact O-CB 3.48Å; N224-K228 WeakPolarHBondContact O-CD 3.37Å; N224-K228 WeakPolarHBondContact O-CG 3.36Å; N224-K228 PolarHBondContact O-N 3.11Å; N224-K228 PolarHBondContact OD1-NZ 3.44Å; H225-K228 PolarHBondContact O-N 3.15Å; L226-K228 PolarHBondContact O-N 2.95Å; L226-K228 VanDerWaalsContact O-N 3.13Å
229	T	59.2	Low	54.7	Low	82 Å²	82	108.9 Å²	108.9	50%	0.503	56%	0.556	S	S	.	*	H	α-helix	trans	-103	-28.2	-174.2	59.3	0	0	0	0	113.8	H225	H225-T229 PolarHBondContact CE1-OG1 2.94Å; H225-T229 PolarHBondContact ND1-OG1 2.84Å; H225-T229 VanDerWaalsContact ND1-OG1 3.17Å; H225-T229 PolarHBondContact O-N 2.84Å; H225-T229 PolarHBondContact O-OG1 3.35Å
230	H	62	Low	53.1	Low	31 Å²	31	105.8 Å²	105.8	14%	0.144	56%	0.562	C	S	.	*	S	Bend	trans	-109.9	11	176.8	-60.6	-78.6	0	0	0	112.4	F211 L226 S232 L233	F211-H230 VanDerWaalsContact CB-CE1 3.44Å; F211-H230 WeakPolarHBondContact CB-CE1 3.45Å; L226-H230 CarbonylContact O-C 3.49Å; L226-H230 WeakPolarHBondContact O-CA 3.36Å; L226-H230 PolarHBondContact O-N 3.4Å; H230-S232 PolarHBondContact O-N 3.48Å; H230-L233 PolarHBondContact O-N 2.89Å
231	R	52.7	Low	51.3	Low	160 Å²	160	105.7 Å²	105.7	60%	0.604	57%	0.569	S	S	*	*	G	3₁₀ helix	trans	-54	-38.2	-179.7	-160.1	-175.7	-172.8	99.2	-3.6	112.5	L226 A227 L233 L234	L226-R231 PolarHBondContact O-N 3.46Å; A227-R231 WeakPolarHBondContact O-CD 3.22Å; A227-R231 PolarHBondContact O-NH1 3.42Å; R231-L233 PolarHBondContact O-N 2.99Å; R231-L234 PolarHBondContact O-N 3.17Å
232	S	49.6	Very low	49.3	Very low	115 Å²	115	111.2 Å²	111.2	80%	0.804	59%	0.586	S	S	*	*	G	3₁₀ helix	trans	-72	-5.7	179.2	-41.7	0	0	0	0	114.8	H230	H230-S232 PolarHBondContact O-N 3.48Å
233	L	51.6	Low	47.2	Very low	143 Å²	143	116.9 Å²	116.9	75%	0.749	61%	0.613	S	S	*	*	G	3₁₀ helix	trans	-112.6	-6.4	179	-64.3	173.3	0	0	0	113.1	H230 R231	H230-L233 PolarHBondContact O-N 2.89Å; R231-L233 PolarHBondContact O-N 2.99Å
234	L	43.8	Very low	45.4	Very low	118 Å²	118	119.4 Å²	119.4	62%	0.618	63%	0.629	S	S	*	*	S	Bend	trans	-104	-2.3	-176.2	-69.5	171.6	0	0	0	113.9	R231	R231-L234 PolarHBondContact O-N 3.17Å
235	L	39.9	Very low	43.3	Very low	159 Å²	159	122 Å²	122	83%	0.832	64%	0.638	S	S	*	*	S	Bend	trans	-129.7	89.3	174.1	-80.1	168.1	0	0	0	109.7
236	G	30.3	Very low	40.9	Very low	75 Å²	75	130.7 Å²	130.7	77%	0.773	67%	0.67	S	S	*	*			trans	-178.4	72.5	-178.1	0	0	0	0	0	114.7
237	K	33.1	Very low	38.7	Very low	205 Å²	205	133.1 Å²	133.1	89%	0.891	69%	0.691	S	S	*	*			trans	-158.8	141.6	162.1	-119.4	168.8	-175.5	177	0	111.7
238	K	28.7	Very low	36.6	Very low	192 Å²	192	141.3 Å²	141.3	84%	0.835	72%	0.719	S	S	*	*			trans	71.5	96.5	-168.5	-51.8	-175.3	-179.3	-175.5	0	111.6
239	H	26.8	Very low	34.6	Very low	193 Å²	193	138.7 Å²	138.7	89%	0.894	72%	0.719	S	S	*	*				56.9	122.4	76.3	-66	-89.9	0	0	0	112.3
240	G	25	Very low	33	Very low	69 Å²	69	140.4 Å²	140.4	71%	0.711	73%	0.73	S	S	*	*			cis	125.5	143.4	-7.8	0	0	0	0	0	113.7
241	L	27.9	Very low	31.2	Very low	161 Å²	161	149.9 Å²	149.9	84%	0.843	77%	0.765	S	S	*	*			trans	-177.8	163.5	153.1	-101.7	169.3	0	0	0	114.3
242	K	26	Very low	29.8	Very low	172 Å²	172	153.8 Å²	153.8	75%	0.748	78%	0.779	S	S	*	*			trans	-42.9	158.5	-178.3	-58.3	162.9	-176.1	178.3	0	116.4
243	M	24	Very low	28.7	Very low	145 Å²	145	154.2 Å²	154.2	71%	0.714	78%	0.782	S	S	*	*				-137.9	159.6	50.5	-69.4	-100.9	85.1	0	0	112.2
244	L	26.3	Very low	28	Very low	139 Å²	139	156.6 Å²	156.6	73%	0.728	79%	0.786	S	S	*	*				56	132.3	66.3	-110	70	0	0	0	112.8
245	E	24.2	Very low	27.1	Very low	135 Å²	135	162.7 Å²	162.7	63%	0.631	80%	0.801	S	S	*	*			cis	-141.4	169.1	29.2	-91	-154.9	145.4	0	0	117.6
246	R	24.9	Very low	26.5	Very low	211 Å²	211	162.2 Å²	162.2	80%	0.796	80%	0.799	S	S	*	*			trans	82.5	142	146	-89.5	167.7	158.5	111.5	-6.2	120.3
247	S	24.5	Very low	26.3	Very low	99 Å²	99	170 Å²	170	69%	0.692	81%	0.806	S	S	*	*			trans	-171.3	132.9	-155.3	46.6	0	0	0	0	113.3
248	F	22.9	Very low	26	Very low	214 Å²	214	169.7 Å²	169.7	94%	0.939	80%	0.804	S	S	*	*			trans	-157.7	127.1	153.4	-81.1	-72.6	0	0	0	106.2
249	S	23.1	Very low	25.8	Very low	94 Å²	94	165.6 Å²	165.6	66%	0.657	80%	0.799	S	S	*	*			cis	102.8	131.3	13.4	-162.8	0	0	0	0	115.1
250	T	25.4	Very low	26.2	Very low	118 Å²	118	162.5 Å²	162.5	72%	0.724	80%	0.795	S	S	*	*			trans	73.7	155.8	176.7	83.7	0	0	0	0	115.8
251	R	24.9	Very low	26.3	Very low	231 Å²	231	165 Å²	165	87%	0.872	80%	0.797	S	S	*	*			cis	-154.6	174.3	4	-137.2	158.2	-156.6	-169	7.7	112.9
252	R	22.9	Very low	26.4	Very low	241 Å²	241	164.9 Å²	164.9	91%	0.909	79%	0.79	S	S	*	*			trans	-61	156.9	173.6	-54.7	163.4	170.9	163.4	-6.6	113.5
253	S	27.1	Very low	26.4	Very low	124 Å²	124	164.5 Å²	164.5	87%	0.867	79%	0.788	S	S	*	*				-164.4	166.4	125.3	-155.4	0	0	0	0	114.5
254	K	35.8	Very low	26.5	Very low	193 Å²	193	163.8 Å²	163.8	84%	0.839	79%	0.787	S	S	*	*			trans	-126.7	146.2	166.1	-69.2	179.6	175.2	-178	0	108.3
255	R	26.2	Very low	26.4	Very low	247 Å²	247	164.3 Å²	164.3	93%	0.932	79%	0.791	S	S	*	*				175	160.9	129.8	-100.9	168.6	178	178.6	-0.3	115.3
256	N	26.1	Very low	26.4	Very low	148 Å²	148	163.7 Å²	163.7	79%	0.791	80%	0.796	S	S	*	*			trans	-85	155.1	-174.4	-30.1	-17.7	0	0	0	113
257	R	26.5	Very low	26.5	Very low	239 Å²	239	157.9 Å²	157.9	90%	0.902	79%	0.788	S	S	*	*				177.7	136.7	121.5	-93.8	159.8	175.9	175.2	-3.3	107.8
258	K	27.3	Very low	26.6	Very low	198 Å²	198	160 Å²	160	86%	0.861	79%	0.791	S	S	*	*			cis	98.6	133.6	44.6	-163	174.9	-173.6	-177.1	0	110.8
259	C	24.5	Very low	26.8	Very low	107 Å²	107	156.8 Å²	156.8	72%	0.723	78%	0.784	S	S	*	*			trans	-77.3	172.2	-163.4	-28.6	0	0	0	0	115
260	P	34	Very low	27	Very low	127 Å²	127	159.3 Å²	159.3	83%	0.825	79%	0.786	S	S	*	*			trans	-96.3	176.2	134.9	35.6	-30.4	0	0	0	112.1
261	V	28.7	Very low	27	Very low	123 Å²	123	160.3 Å²	160.3	75%	0.745	78%	0.782	S	S	*	*			trans	-148.4	170.6	-161.1	-172.2	0	0	0	0	109.4
262	K	29.2	Very low	27	Very low	158 Å²	158	157.4 Å²	157.4	69%	0.687	78%	0.779	S	S	*	*			trans	88.9	149.1	168.4	-53.4	-169.8	177.5	-165.4	0	115
263	F	26.1	Very low	27.3	Very low	164 Å²	164	151.9 Å²	151.9	72%	0.719	78%	0.777	S	S	*	*			cis	-154.4	171.8	-8.5	-112.4	-177	0	0	0	108.1
264	D	25.7	Very low	27.1	Very low	130 Å²	130	149.2 Å²	149.2	70%	0.695	77%	0.769	S	S	*	*				-160.8	-178.7	-77.4	-83.2	-6.1	0	0	0	107.6
265	D	23.7	Very low	26.5	Very low	149 Å²	149	148.4 Å²	148.4	80%	0.797	77%	0.774	S	S	*	*			trans	76.5	132.2	168.1	-97.8	-17.8	0	0	0	123.9
266	T	24.8	Very low	26.5	Very low	122 Å²	122	139.8 Å²	139.8	75%	0.748	76%	0.762	S	S	*	*			trans	60.8	148	148	55.8	0	0	0	0	122
267	S	27.9	Very low	26.6	Very low	89 Å²	89	137.8 Å²	137.8	62%	0.622	76%	0.76	S	S	*	*			cis	-167.4	147	-15.2	47.8	0	0	0	0	111.4
268	D	26.7	Very low	26.5	Very low	143 Å²	143	133.5 Å²	133.5	77%	0.765	75%	0.754	S	S	*	*			trans	53.9	140.5	140.3	-50.4	-24.3	0	0	0	124.3
269	D	26.8	Very low	26.5	Very low	148 Å²	148	130.2 Å²	130.2	79%	0.791	75%	0.746	S	S	*	*			trans	86.3	127.5	137.9	-77.6	-18.5	0	0	0	126.1
270	E	26.3	Very low	26.7	Very low	146 Å²	146	132.9 Å²	132.9	68%	0.682	75%	0.753	S	S	*	*			trans	72	127.1	134.4	-62.7	-121.3	97.7	0	0	124.6
271	Q	26.9	Very low	26.4	Very low	140 Å²	140	133.1 Å²	133.1	65%	0.654	75%	0.747	S	S	*	*			trans	69.9	119.7	133.7	-66.4	-178.2	26.1	0	0	124.1
272	E	24.8	Very low	26.3	Very low	170 Å²	170	134.1 Å²	134.1	79%	0.794	74%	0.743	S	S	*	*				58.8	144.4	126.2	-59.3	-149	141.4	0	0	125.1
273	S	28	Very low	26.1	Very low	125 Å²	125	133.7 Å²	133.7	87%	0.874	74%	0.744	S	S	*	*			trans	71.9	177.8	152.2	81.5	0	0	0	0	117.3
274	G	23.7	Very low	26.3	Very low	68 Å²	68	132.4 Å²	132.4	70%	0.701	75%	0.745	S	S	*	*			trans	159.6	-31.4	166.8	0	0	0	0	0	119
275	D	22.6	Very low	26.2	Very low	175 Å²	175	136.4 Å²	136.4	94%	0.936	76%	0.756	S	S	*	*			trans	53.9	-161.3	173.1	-151	-15.8	0	0	0	114.9
276	G	25.8	Very low	26.6	Very low	67 Å²	67	136 Å²	136	69%	0.691	75%	0.754	S	S	*	*			trans	103.6	82.3	158.6	0	0	0	0	0	116.6
277	S	28.7	Very low	26.7	Very low	106 Å²	106	140 Å²	140	74%	0.741	76%	0.761	S	S	*	*			trans	-69.1	154.4	161	56.3	0	0	0	0	112.6
278	D	24.5	Very low	26.7	Very low	148 Å²	148	144.4 Å²	144.4	79%	0.791	77%	0.772	S	S	*	*				-154.9	173.4	119.3	-133.9	-35.5	0	0	0	114.1
279	N	27.2	Very low	26.7	Very low	129 Å²	129	147.2 Å²	147.2	69%	0.69	78%	0.777	S	S	*	*			trans	-96.8	164.7	-166.9	-60.6	-96.4	0	0	0	112.9
280	L	28.8	Very low	26.6	Very low	164 Å²	164	144.4 Å²	144.4	86%	0.859	77%	0.769	S	S	*	*				-165.7	164.3	121.7	-104.5	168.8	0	0	0	111.8
281	N	27.1	Very low	26.6	Very low	131 Å²	131	144.4 Å²	144.4	70%	0.701	77%	0.774	S	S	*	*			trans	-91.6	166.6	-168.2	-51.5	-67.4	0	0	0	113.2
282	Q	26.7	Very low	26.6	Very low	144 Å²	144	149.5 Å²	149.5	67%	0.673	79%	0.787	S	S	*	*				-175.7	125.9	106.9	-152.2	64.4	4.7	0	0	114.4
283	E	26.3	Very low	26.6	Very low	149 Å²	149	148.1 Å²	148.1	70%	0.696	79%	0.785	S	S	*	*			trans	36.7	113.4	149.4	-62.7	167.9	145.8	0	0	124.4
284	N	29.6	Very low	26.5	Very low	138 Å²	138	149.4 Å²	149.4	74%	0.738	78%	0.782	S	S	*	*				30	136.2	114.8	-56.6	-12.3	0	0	0	122.2
285	F	24.2	Very low	26.6	Very low	213 Å²	213	151.8 Å²	151.8	93%	0.934	79%	0.788	S	S	*	*				-156.9	130.5	123.4	-128.2	-78.5	0	0	0	112.5
286	D	31.5	Very low	26.8	Very low	140 Å²	140	152.5 Å²	152.5	75%	0.749	79%	0.786	S	S	*	*			trans	-91.7	158.2	-179.1	-70.4	-68.2	0	0	0	114
287	K	26.3	Very low	26.8	Very low	208 Å²	208	156.9 Å²	156.9	90%	0.904	79%	0.793	S	S	*	*			trans	-156.7	112.9	148.9	-142.3	162.4	-168.9	165.7	0	114.5
288	E	28.7	Very low	27.4	Very low	181 Å²	181	157.4 Å²	157.4	85%	0.846	79%	0.794	S	S	*	*			trans	-85.1	157.7	167.6	-60.8	-173.1	123.2	0	0	112.8
289	K	25.5	Very low	27.4	Very low	201 Å²	201	154 Å²	154	87%	0.874	79%	0.794	S	S	*	*			trans	160.4	153	141	-93.3	-179.1	177.8	-173.4	0	110.5
290	S	26	Very low	27.3	Very low	89 Å²	89	153.1 Å²	153.1	62%	0.622	80%	0.798	S	S	*	*			cis	-174.2	136.4	-29.5	47.3	0	0	0	0	108.1
291	D	26.8	Very low	27.2	Very low	146 Å²	146	154.5 Å²	154.5	78%	0.781	80%	0.8	S	S	*	*			trans	22	139	156.1	-48.9	-47.7	0	0	0	122.7
292	R	26.1	Very low	27.2	Very low	248 Å²	248	158.3 Å²	158.3	94%	0.936	81%	0.806	S	S	*	*			trans	-151.8	139.2	133.9	-106.9	166	-160	-148.2	0.7	110.5
293	N	24.5	Very low	27.1	Very low	141 Å²	141	159.1 Å²	159.1	75%	0.754	82%	0.815	S	S	*	*			trans	-102.3	-162.7	-179.3	-82.5	-32.4	0	0	0	111.1
294	D	25.7	Very low	27.2	Very low	151 Å²	151	156.8 Å²	156.8	81%	0.807	82%	0.821	S	S	*	*			trans	87.4	137.6	164.2	-47.6	-18.4	0	0	0	115.3
295	S	27.1	Very low	26.9	Very low	118 Å²	118	158.6 Å²	158.6	83%	0.825	83%	0.825	S	S	*	*			cis	-158.3	177.1	-11.2	-105	0	0	0	0	111
296	E	25.5	Very low	27.1	Very low	191 Å²	191	156.5 Å²	156.5	89%	0.893	82%	0.818	S	S	*	*			trans	-103.6	146.5	-171.3	-56.8	-172.2	131.3	0	0	115.4
297	D	25.5	Very low	26.7	Very low	158 Å²	158	156.9 Å²	156.9	85%	0.845	82%	0.82	S	S	*	*			trans	56	-179.1	154.1	-115.4	31.6	0	0	0	118.5
298	P	42.3	Very low	26.8	Very low	118 Å²	118	155.2 Å²	155.2	77%	0.766	82%	0.816	S	S	*	*			cis	-118.4	-174.2	-13.6	39.6	-24.1	0	0	0	113.8
299	G	23.2	Very low	26.7	Very low	76 Å²	76	154 Å²	154	78%	0.784	82%	0.815	S	S	*	*			trans	-114.9	-173.1	-178.2	0	0	0	0	0	115.9
300	S	26.5	Very low	26.8	Very low	110 Å²	110	152.1 Å²	152.1	77%	0.769	81%	0.809	S	S	*	*			trans	-152.6	161.6	176.3	57.6	0	0	0	0	112.8
301	E	26.9	Very low	27	Very low	194 Å²	194	156 Å²	156	91%	0.907	82%	0.817	S	S	*	*			trans	-106.2	143.6	175	-59.7	176.8	130	0	0	110.9
302	Y	25.5	Very low	27	Very low	210 Å²	210	156.5 Å²	156.5	82%	0.824	82%	0.815	S	S	*	*			trans	-160.7	155.2	151.8	46.3	-93	0	0	0	111.5
303	N	24.7	Very low	27	Very low	162 Å²	162	150.3 Å²	150.3	87%	0.866	80%	0.798	S	S	*	*			trans	-96.1	155	-177.2	-55.6	-67.1	0	0	0	111.8
304	A	28.4	Very low	27.1	Very low	99 Å²	99	149.5 Å²	149.5	82%	0.818	80%	0.803	S	S	*	*			trans	-155.1	128.6	153.7	0	0	0	0	0	110.1
305	E	24.6	Very low	27.1	Very low	177 Å²	177	148.6 Å²	148.6	83%	0.827	80%	0.798	S	S	*	*			trans	-76.5	168	152.3	-67.2	135.9	161.3	0	0	107.4
306	E	27.6	Very low	27.2	Very low	168 Å²	168	151.2 Å²	151.2	79%	0.785	80%	0.797	S	S	*	*			cis	-159.1	-173.6	19.8	-146.6	157.5	-155.5	0	0	109.5
307	D	24.4	Very low	27.2	Very low	148 Å²	148	150.6 Å²	150.6	79%	0.791	79%	0.788	S	S	*	*			trans	70.2	145.1	158.2	-70.2	-6.2	0	0	0	124.8
308	E	26.5	Very low	27.4	Very low	173 Å²	173	147.7 Å²	147.7	81%	0.808	78%	0.78	S	S	*	*			trans	-80.8	158.9	-164	-53.5	172.3	143.3	0	0	115
309	L	27.6	Very low	26.7	Very low	157 Å²	157	148.1 Å²	148.1	82%	0.822	78%	0.776	S	S	*	*				-179.7	-177.5	112.5	-93.7	172.5	0	0	0	112.2
310	E	26.7	Very low	26.9	Very low	161 Å²	161	150.1 Å²	150.1	75%	0.752	77%	0.767	S	S	*	*			trans	-109	154.7	-145.5	-61.9	177.9	129	0	0	118
311	E	29.9	Very low	26.9	Very low	169 Å²	169	151.3 Å²	151.3	79%	0.79	76%	0.761	S	S	*	*			trans	85.5	148.4	135.8	-90	-171.5	-178.2	0	0	127.3
312	E	27.2	Very low	27	Very low	158 Å²	158	148.9 Å²	148.9	74%	0.738	75%	0.749	S	S	*	*			trans	59	84.8	148.4	-63.5	-94.2	102.4	0	0	122.1
313	M	26.3	Very low	27.1	Very low	118 Å²	118	146.4 Å²	146.4	58%	0.581	75%	0.745	S	S	*	*				-3.1	136.6	123.6	-68.3	-80.4	-46.4	0	0	118.5	D315	M313-D315 VanDerWaalsContact CE-OD2 3.29Å; M313-D315 WeakPolarHBondContact CE-OD2 3.48Å
314	S	27.8	Very low	27.1	Very low	123 Å²	123	143.7 Å²	143.7	86%	0.86	74%	0.739	S	S	*	*				-169.6	159.5	121.1	36.1	0	0	0	0	113.5
315	D	25.5	Very low	27.1	Very low	132 Å²	132	147.7 Å²	147.7	71%	0.706	74%	0.741	S	S	*	*			trans	-118.7	169.3	-158.2	-87	-66.5	0	0	0	115.2	M313	M313-D315 VanDerWaalsContact CE-OD2 3.29Å; M313-D315 WeakPolarHBondContact CE-OD2 3.48Å
316	E	28.3	Very low	27.2	Very low	173 Å²	173	147.4 Å²	147.4	81%	0.808	74%	0.737	S	S	*	*			trans	79.2	101.7	146.7	-82.5	-179.9	178.6	0	0	124
317	Y	26.2	Very low	27.1	Very low	179 Å²	179	145.1 Å²	145.1	70%	0.702	73%	0.73	S	S	*	*				67.1	148.2	108.1	-100.9	-88.7	0	0	0	125.2
318	S	29.8	Very low	27.2	Very low	96 Å²	96	146.3 Å²	146.3	67%	0.671	73%	0.73	S	S	*	*			trans	77.5	149.2	148.5	75.1	0	0	0	0	120
319	D	26.1	Very low	27.1	Very low	127 Å²	127	143.8 Å²	143.8	68%	0.679	72%	0.723	S	S	*	*			cis	-163.4	145.4	-16.1	-107.9	-12.8	0	0	0	113.4
320	I	28.2	Very low	26.9	Very low	119 Å²	119	143 Å²	143	61%	0.61	72%	0.719	S	S	*	*			trans	59.8	169.9	139.8	-45.1	159.6	0	0	0	121.4
321	E	27.6	Very low	26.8	Very low	135 Å²	135	140 Å²	140	63%	0.631	72%	0.721	S	S	*	*			trans	75.5	120.7	172.2	-33.1	-88.4	107.7	0	0	115	R372	E321-R372 PolarHBondContact O-NH2 3.16Å
322	E	28.1	Very low	26.8	Very low	142 Å²	142	141 Å²	141	66%	0.664	73%	0.726	S	S	*	*			cis	75.9	138.6	47.3	-62.5	-168.2	143.7	0	0	113.5
323	Q	28	Very low	26.7	Very low	159 Å²	159	142.9 Å²	142.9	74%	0.743	74%	0.735	S	S	*	*			cis	-167.2	149.4	-6.7	-122.4	154.5	14.1	0	0	112.8
324	S	25	Very low	26.5	Very low	104 Å²	104	145.8 Å²	145.8	73%	0.727	75%	0.747	S	S	*	*			trans	168	124.7	153.4	51	0	0	0	0	108.1
325	E	27.5	Very low	27.2	Very low	183 Å²	183	144.6 Å²	144.6	86%	0.855	74%	0.737	S	S	*	*				56.8	125.4	77.8	-65.9	-176.6	-144	0	0	112.3
326	K	27.8	Very low	27.1	Very low	171 Å²	171	146.7 Å²	146.7	74%	0.743	74%	0.742	S	S	*	*			cis	-160.7	150.3	24	-168.2	168.7	-179.5	-178.5	0	115
327	D	24.4	Very low	27	Very low	121 Å²	121	143 Å²	143	65%	0.647	74%	0.742	S	S	*	*			trans	23.6	123.4	156.1	-47.1	-23.7	0	0	0	124.9
328	H	25.9	Very low	27	Very low	172 Å²	172	138.4 Å²	138.4	80%	0.796	75%	0.748	S	S	*	*				76	136	128.9	-87.6	-77.9	0	0	0	126.9
329	N	24.6	Very low	26.8	Very low	121 Å²	121	140 Å²	140	65%	0.647	75%	0.749	S	S	*	*			trans	89	105.1	148	-67.8	14.7	0	0	0	123
330	D	24.1	Very low	26.9	Very low	140 Å²	140	139.9 Å²	139.9	75%	0.749	76%	0.758	S	S	*	*				63.3	131.3	116.5	-50	-24	0	0	0	124.8
331	A	25.2	Very low	27.1	Very low	97 Å²	97	140 Å²	140	80%	0.802	76%	0.764	S	S	*	*			trans	64.8	110.7	142.7	0	0	0	0	0	121.9
332	E	29.7	Very low	27.2	Very low	191 Å²	191	137.4 Å²	137.4	89%	0.893	77%	0.773	S	S	*	*			trans	20.3	112.3	142.3	-58.7	-176.4	-170.7	0	0	120.4
333	E	24.4	Very low	27.4	Very low	198 Å²	198	136.7 Å²	136.7	93%	0.925	77%	0.774	S	S	*	*				-159.5	148.7	123	-114.9	174.4	-166.6	0	0	111.2
334	E	22.4	Very low	27.8	Very low	178 Å²	178	136.4 Å²	136.4	83%	0.832	78%	0.776	S	S	*	*			trans	-127.6	158.8	170.5	-80	-89.9	-177	0	0	106.5
335	P	41.6	Very low	28.5	Very low	98 Å²	98	137.8 Å²	137.8	64%	0.636	77%	0.771	S	S	*	*			cis	-127.7	-169.4	-8.5	40.8	-24.5	0	0	0	112
336	E	23.7	Very low	29.1	Very low	177 Å²	177	137.6 Å²	137.6	83%	0.827	77%	0.77	S	S	*	*				175.2	165.1	124.5	-98.2	-59.2	159.4	0	0	113.4
337	A	26.4	Very low	30.1	Very low	96 Å²	96	131.9 Å²	131.9	79%	0.793	76%	0.76	S	S	*	*			trans	-84.3	153.6	-162.2	0	0	0	0	0	117
338	G	26.4	Very low	31.4	Very low	81 Å²	81	127 Å²	127	84%	0.835	73%	0.733	S	S	*	*			trans	-175.4	86.4	174.7	0	0	0	0	0	113.4
339	D	26.5	Very low	32.4	Very low	130 Å²	130	124 Å²	124	70%	0.695	73%	0.728	S	S	*	*			trans	-73.7	147.6	-161.5	-149	-31.2	0	0	0	116.5	V341	D339-V341 WeakPolarHBondContact OD1-CG2 3.38Å; D339-V341 PolarHBondContact OD1-N 3.09Å
340	S	27.1	Very low	33.7	Very low	125 Å²	125	120.6 Å²	120.6	87%	0.874	71%	0.712	S	S	*	*			trans	-169.3	62.2	155.7	-80.4	0	0	0	0	110.8	G342	S340-G342 PolarHBondContact O-N 2.96Å
341	V	32.9	Very low	35.4	Very low	121 Å²	121	117.6 Å²	117.6	73%	0.733	70%	0.699	S	S	*	*			trans	-60.9	127.5	-178.4	166.3	0	0	0	0	114.1	D339	D339-V341 WeakPolarHBondContact OD1-CG2 3.38Å; D339-V341 PolarHBondContact OD1-N 3.09Å
342	G	29.3	Very low	36.8	Very low	80 Å²	80	116.6 Å²	116.6	83%	0.825	68%	0.682	S	S	*	*			trans	-113.2	25.8	170.4	0	0	0	0	0	114.4	S340	S340-G342 PolarHBondContact O-N 2.96Å
343	N	31.6	Very low	38.2	Very low	128 Å²	128	111.1 Å²	111.1	68%	0.684	66%	0.658	S	S	*	*			trans	50.9	85.9	174.1	-155.4	-10.1	0	0	0	117.1
344	I	37.6	Very low	39.1	Very low	153 Å²	153	108.6 Å²	108.6	79%	0.785	65%	0.646	S	S	*	*	P	Polyproline II helix	trans	-81.9	119.1	160.6	-61.6	174.5	0	0	0	107.6	E346	I344-E346 PolarHBondContact O-N 3.37Å
345	H	38.7	Very low	40.1	Very low	132 Å²	132	105.7 Å²	105.7	61%	0.611	64%	0.637	S	S	*	*	P	Polyproline II helix	trans	-66.6	132.7	179.2	-155.7	86.2	0	0	0	111.4
346	E	40.9	Very low	40.5	Very low	179 Å²	179	106.1 Å²	106.1	84%	0.836	64%	0.642	S	S	*	*	S	Bend	trans	-62.3	150.7	-171.8	-65	178.8	107.9	0	0	113.3	I344	I344-E346 PolarHBondContact O-N 3.37Å
347	G	48.3	Very low	41.8	Very low	51 Å²	51	105.8 Å²	105.8	53%	0.526	65%	0.646	S	S	.	*	S	Bend	trans	78.5	24.4	179.3	0	0	0	0	0	115.9	K365	G347-K365 VanDerWaalsContact O-CE 3.3Å; G347-K365 WeakPolarHBondContact O-CE 3.41Å
348	L	52.4	Low	43.1	Very low	18 Å²	18	108.1 Å²	108.1	9%	0.094	64%	0.638	C	S	.	*			trans	-129.5	25.6	173.5	-78.2	178.2	0	0	0	114.2	K365 Y376 H383 T384	L348-K365 HydrophobicContact CD2-CD 3.74Å; L348-K365 HydrophobicContact CD2-CG 3.9Å; L348-Y376 PolarHBondContact O-OH 2.85Å; L348-H383 HydrophobicContact CD1-CB 4.28Å; L348-T384 HydrophobicContact CD1-CG2 4.14Å
349	T	47.5	Very low	44.7	Very low	110 Å²	110	111.1 Å²	111.1	68%	0.675	63%	0.628	S	S	*	*			trans	-63.2	129.5	171.1	38.2	0	0	0	0	111	V351 P364	T349-V351 PolarHBondContact O-N 3.19Å; T349-P364 WeakPolarHBondContact O-CG 3.5Å
350	P	51.6	Low	46.8	Very low	50 Å²	50	107.1 Å²	107.1	33%	0.325	61%	0.607	S	S	.	*			trans	-69.4	129.2	-179.7	25.1	-31.8	0	0	0	111.3	V352 L361 Y376	P350-V352 PolarHBondContact O-N 3.35Å; P350-L361 HydrophobicContact CB-CB 4.3Å; P350-L361 HydrophobicContact CB-CD2 4.19Å; P350-Y376 WeakPolarHBondContact CA-OH 3.36Å; P350-Y376 HydrophobicContact CB-CD1 4.42Å; P350-Y376 HydrophobicContact CB-CD2 4.35Å; P350-Y376 HydrophobicContact CB-CE1 3.88Å; P350-Y376 HydrophobicContact CB-CE2 3.79Å; P350-Y376 HydrophobicContact CG-CE1 4.2Å
351	V	58.9	Low	48.9	Very low	77 Å²	77	102 Å²	102	47%	0.467	57%	0.569	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-76.1	113.5	167.7	178.5	0	0	0	0	107.5	T349 I353 Q362	T349-V351 PolarHBondContact O-N 3.19Å; V351-I353 HydrophobicContact CG1-CG1 4.41Å; V351-I353 PolarHBondContact O-N 3.1Å; V351-Q362 HydrophobicContact CB-CB 4.28Å; V351-Q362 PolarHBondContact N-O 3.3Å; V351-Q362 VanDerWaalsContact N-O 3.1Å; V351-Q362 PolarHBondContact O-N 2.65Å
352	V	55.6	Low	50.6	Low	75 Å²	75	98.2 Å²	98.2	46%	0.455	54%	0.543	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	101.5	-175.8	-172.9	0	0	0	0	109.9	P350 K359 L361	P350-V352 PolarHBondContact O-N 3.35Å; V352-K359 HydrophobicContact CG1-CB 4.44Å; V352-L361 HydrophobicContact CG1-CD2 4.44Å; V352-L361 HydrophobicContact CG2-CD2 3.9Å
353	I	58	Low	52.7	Low	76 Å²	76	94.4 Å²	94.4	39%	0.39	50%	0.504	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	118.6	172.5	-58.9	-174.9	0	0	0	108.5	V351 I360	V351-I353 HydrophobicContact CG1-CG1 4.41Å; V351-I353 PolarHBondContact O-N 3.1Å; I353-I360 PolarHBondContact N-O 2.79Å; I353-I360 PolarHBondContact O-N 3.13Å
354	Q	43.4	Very low	54.1	Low	145 Å²	145	91 Å²	91	68%	0.678	49%	0.489	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.7	124.1	167.7	-61.5	-165.8	38	0	0	109.1	K359	Q354-K359 HydrophobicContact CG-CG 4.45Å
355	N	43.3	Very low	55.2	Low	118 Å²	118	89.2 Å²	89.2	63%	0.631	48%	0.476	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-142.6	133	165	-150.7	-24.1	0	0	0	109.1	N357 K358	N355-N357 PolarHBondContact O-N 3.36Å; N355-K358 PolarHBondContact O-N 2.79Å
356	S	49.6	Very low	56.7	Low	107 Å²	107	84.9 Å²	84.9	75%	0.748	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	12.2	84.9	-173.2	46.1	0	0	0	0	116.9
357	N	52.4	Low	57.7	Low	170 Å²	170	81.4 Å²	81.4	91%	0.909	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.8	19.4	167.9	-56.7	-18.5	0	0	0	118.2	N355	N355-N357 PolarHBondContact O-N 3.36Å
358	K	53.2	Low	58.7	Low	144 Å²	144	85 Å²	85	63%	0.626	45%	0.448	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-136.5	139.4	159.9	-66.2	-174.7	-177.9	178.4	0	111.8	N355	N355-K358 PolarHBondContact O-N 2.79Å
359	K	59.7	Low	59.7	Low	144 Å²	144	88 Å²	88	63%	0.626	47%	0.468	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.3	119	167.7	-66.2	-173.8	178.2	-176.4	0	108.3	V352 Q354	V352-K359 HydrophobicContact CG1-CB 4.44Å; Q354-K359 HydrophobicContact CG-CG 4.45Å
360	I	69.9	Low	61.1	Low	47 Å²	47	84.5 Å²	84.5	24%	0.241	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	132.4	179.7	-60.1	177.3	0	0	0	108.5	I353 T369	I353-I360 PolarHBondContact N-O 2.79Å; I353-I360 PolarHBondContact O-N 3.13Å; I360-T369 HydrophobicContact CG2-CG2 3.85Å
361	L	72.9	Confident	61.9	Low	18 Å²	18	86.7 Å²	86.7	9%	0.094	45%	0.452	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	114.3	-176.8	-54.8	173.6	0	0	0	109.9	P350 V352 T369 F370 I373 Y376	P350-L361 HydrophobicContact CB-CB 4.3Å; P350-L361 HydrophobicContact CB-CD2 4.19Å; V352-L361 HydrophobicContact CG1-CD2 4.44Å; V352-L361 HydrophobicContact CG2-CD2 3.9Å; L361-T369 CarbonylContact O-C 3.52Å; L361-T369 WeakPolarHBondContact O-CA 3.42Å; L361-F370 PolarHBondContact N-O 3.41Å; L361-F370 PolarHBondContact O-N 2.82Å; L361-I373 HydrophobicContact CD1-CB 3.9Å; L361-I373 HydrophobicContact CD1-CD1 4.37Å; L361-I373 HydrophobicContact CD1-CG1 3.79Å; L361-Y376 HydrophobicContact CB-CD2 3.9Å; L361-Y376 HydrophobicContact CB-CG 4.25Å; L361-Y376 HydrophobicContact CD1-CG 4.32Å
362	Q	67	Low	62.6	Low	40 Å²	40	90 Å²	90	19%	0.187	46%	0.456	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	135.8	177	-175.6	165.7	-33.8	0	0	111	V351 D367 T369	V351-Q362 HydrophobicContact CB-CB 4.28Å; V351-Q362 PolarHBondContact N-O 3.3Å; V351-Q362 VanDerWaalsContact N-O 3.1Å; V351-Q362 PolarHBondContact O-N 2.65Å; Q362-D367 HydrophobicContact CG-CB 4.45Å; Q362-D367 PolarHBondContact NE2-OD1 3.35Å; Q362-T369 HydrophobicContact CB-CG2 3.97Å; Q362-T369 HydrophobicContact CG-CG2 4.13Å
363	C	73.9	Confident	63.4	Low	0 Å²	0	91.7 Å²	91.7	0%	0	46%	0.462	C	S	.	.			trans	-84.2	116.8	175.2	-177	0	0	0	0	111.3	K365 C366 D367 K368 F370 Y376 H379 H383	C363-K365 PolarHBondContact O-N 2.82Å; C363-C366 PolarHBondContact O-N 2.79Å; C363-D367 WeakPolarHBondContact O-CA 3.32Å; C363-D367 PolarHBondContact O-N 3.18Å; C363-K368 PolarHBondContact N-O 3.31Å; C363-F370 HydrophobicContact CB-CE2 4.47Å; C363-Y376 HydrophobicContact CB-CE2 3.99Å; C363-H379 WeakPolarHBondContact CB-NE2 3.35Å; C363-H379 PolarHBondContact SG-NE2 3.5Å; C363-H379 VanDerWaalsContact SG-NE2 3.42Å; C363-H383 PolarHBondContact SG-NE2 2.95Å
364	P	61.7	Low	63.8	Low	57 Å²	57	90.2 Å²	90.2	37%	0.37	47%	0.465	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-1.4	-174.4	30.5	-38.5	0	0	0	114.8	T349	T349-P364 WeakPolarHBondContact O-CG 3.5Å
365	K	60.4	Low	64.9	Low	115 Å²	115	88.6 Å²	88.6	50%	0.5	46%	0.456	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.9	-1.4	176.3	-63.9	-165.4	-174.2	-178.6	0	114.6	G347 L348 C363 H383	G347-K365 VanDerWaalsContact O-CE 3.3Å; G347-K365 WeakPolarHBondContact O-CE 3.41Å; L348-K365 HydrophobicContact CD2-CD 3.74Å; L348-K365 HydrophobicContact CD2-CG 3.9Å; C363-K365 PolarHBondContact O-N 2.82Å; K365-H383 PolarHBondContact O-CE1 2.3Å
366	C	69.4	Low	66.2	Low	42 Å²	42	83.6 Å²	83.6	28%	0.284	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	-162.9	11.9	175.5	65	0	0	0	0	115.5	C363 K368 H379 H383	C363-C366 PolarHBondContact O-N 2.79Å; C366-K368 PolarHBondContact O-N 3.21Å; C366-H379 PolarHBondContact SG-CE1 3.24Å; C366-H379 PolarHBondContact SG-NE2 3.35Å; C366-H383 VanDerWaalsContact CB-CE1 3.43Å; C366-H383 WeakPolarHBondContact CB-CE1 3.26Å; C366-H383 PolarHBondContact SG-CE1 3.25Å; C366-H383 PolarHBondContact SG-NE2 2.94Å
367	D	63.2	Low	67	Low	106 Å²	106	82.5 Å²	82.5	57%	0.567	41%	0.411	S	S	*	.			trans	54.4	11.6	178	-59.4	-47.9	0	0	0	117.4	Q362 C363 T369	Q362-D367 HydrophobicContact CG-CB 4.45Å; Q362-D367 PolarHBondContact NE2-OD1 3.35Å; C363-D367 WeakPolarHBondContact O-CA 3.32Å; C363-D367 PolarHBondContact O-N 3.18Å; D367-T369 PolarHBondContact O-N 3.39Å
368	K	68.7	Low	67.6	Low	126 Å²	126	76.6 Å²	76.6	55%	0.548	38%	0.383	S	S	.	.			trans	-68.1	128.2	174.5	-66.6	179.3	-174.3	-178.2	0	110	C363 C366 F370	C363-K368 PolarHBondContact N-O 3.31Å; C366-K368 PolarHBondContact O-N 3.21Å; K368-F370 HydrophobicContact CB-CE2 3.65Å; K368-F370 HydrophobicContact CB-CZ 3.74Å; K368-F370 VanDerWaalsContact O-CD2 3.32Å; K368-F370 WeakPolarHBondContact O-CD2 3.49Å; K368-F370 WeakPolarHBondContact O-CE2 3.43Å
369	T	74.3	Confident	68.5	Low	82 Å²	82	70.8 Å²	70.8	50%	0.503	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	140.1	-175.3	39.1	0	0	0	0	111.6	I360 L361 Q362 D367	I360-T369 HydrophobicContact CG2-CG2 3.85Å; L361-T369 CarbonylContact O-C 3.52Å; L361-T369 WeakPolarHBondContact O-CA 3.42Å; Q362-T369 HydrophobicContact CB-CG2 3.97Å; Q362-T369 HydrophobicContact CG-CG2 4.13Å; D367-T369 PolarHBondContact O-N 3.39Å
370	F	76.3	Confident	68.7	Low	35 Å²	35	65.2 Å²	65.2	15%	0.154	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	125.1	-172.4	-59.7	-84.6	0	0	0	112.6	L361 C363 K368 R372 K375 Y376 H379	L361-F370 PolarHBondContact N-O 3.41Å; L361-F370 PolarHBondContact O-N 2.82Å; C363-F370 HydrophobicContact CB-CE2 4.47Å; K368-F370 HydrophobicContact CB-CE2 3.65Å; K368-F370 HydrophobicContact CB-CZ 3.74Å; K368-F370 VanDerWaalsContact O-CD2 3.32Å; K368-F370 WeakPolarHBondContact O-CD2 3.49Å; K368-F370 WeakPolarHBondContact O-CE2 3.43Å; F370-R372 VanDerWaalsContact C-N 3.25Å; F370-R372 PolarHBondContact O-N 3.01Å; F370-K375 HydrophobicContact CB-CB 4.34Å; F370-K375 HydrophobicContact CD1-CB 3.97Å; F370-Y376 HydrophobicContact CD2-CD2 4.02Å; F370-H379 HydrophobicContact CE1-CB 4.05Å; F370-H379 HydrophobicContact CE2-CB 4.05Å; F370-H379 AromaticContact CE2-CD2 3.31Å; F370-H379 WeakPolarHBondContact CE2-CD2 3.47Å; F370-H379 AromaticContact CE2-CG 3.64Å; F370-H379 AromaticContact CE2-NE2 3.95Å; F370-H379 HydrophobicContact CZ-CB 3.6Å; F370-H379 AromaticContact CZ-CD2 3.5Å; F370-H379 VanDerWaalsContact CZ-CD2 3.5Å; F370-H379 WeakPolarHBondContact CZ-CD2 3.28Å; F370-H379 AromaticContact CZ-CG 3.31Å; F370-H379 AromaticContact CZ-ND1 3.83Å
371	D	68.4	Low	68.7	Low	96 Å²	96	66.5 Å²	66.5	51%	0.513	34%	0.338	S	S	.	.	S	Bend	trans	-72.2	-7.6	-179	-49.6	-51.4	0	0	0	115.3
372	R	73.3	Confident	68.2	Low	146 Å²	146	70.4 Å²	70.4	55%	0.551	36%	0.362	S	S	*	.	S	Bend	trans	-147.9	136.6	-173.1	-63.6	-170.8	-175.4	-178.5	2.5	111.4	E321 F370 G374 K375 Y376	E321-R372 PolarHBondContact O-NH2 3.16Å; F370-R372 VanDerWaalsContact C-N 3.25Å; F370-R372 PolarHBondContact O-N 3.01Å; R372-G374 PolarHBondContact O-N 2.92Å; R372-K375 HydrophobicContact CB-CG 4.5Å; R372-K375 WeakPolarHBondContact O-CA 3.44Å; R372-K375 WeakPolarHBondContact O-CB 3.28Å; R372-K375 PolarHBondContact O-N 3.02Å; R372-Y376 PolarHBondContact O-N 2.92Å
373	I	72	Confident	68	Low	112 Å²	112	72.1 Å²	72.1	57%	0.574	37%	0.37	S	S	*	.	H	α-helix	trans	-60.3	-41.7	-174.2	-148.3	153.5	0	0	0	113	L361 K375 Y376 E377	L361-I373 HydrophobicContact CD1-CB 3.9Å; L361-I373 HydrophobicContact CD1-CD1 4.37Å; L361-I373 HydrophobicContact CD1-CG1 3.79Å; I373-K375 PolarHBondContact O-N 3.05Å; I373-Y376 CarbonylContact O-C 3.56Å; I373-Y376 WeakPolarHBondContact O-CA 3.32Å; I373-Y376 VanDerWaalsContact O-CB 3.32Å; I373-Y376 WeakPolarHBondContact O-CB 3.35Å; I373-Y376 PolarHBondContact O-N 3.33Å; I373-E377 WeakPolarHBondContact O-CG 3.4Å; I373-E377 PolarHBondContact O-N 3.46Å
374	G	66.3	Low	67.3	Low	45 Å²	45	75 Å²	75	46%	0.464	39%	0.388	S	S	.	.	H	α-helix	trans	-65.1	-19.1	174	0	0	0	0	0	115.3	R372 S378	R372-G374 PolarHBondContact O-N 2.92Å; G374-S378 WeakPolarHBondContact O-CB 3.42Å; G374-S378 PolarHBondContact O-N 2.84Å
375	K	67.2	Low	67.2	Low	111 Å²	111	74.6 Å²	74.6	48%	0.483	39%	0.394	S	S	.	.	H	α-helix	trans	-76.8	-45.4	167.5	-73	-174.1	175.4	-178.6	0	110	F370 R372 I373 S378 H379	F370-K375 HydrophobicContact CB-CB 4.34Å; F370-K375 HydrophobicContact CD1-CB 3.97Å; R372-K375 HydrophobicContact CB-CG 4.5Å; R372-K375 WeakPolarHBondContact O-CA 3.44Å; R372-K375 WeakPolarHBondContact O-CB 3.28Å; R372-K375 PolarHBondContact O-N 3.02Å; I373-K375 PolarHBondContact O-N 3.05Å; K375-S378 PolarHBondContact O-N 3.23Å; K375-S378 VanDerWaalsContact O-N 3.14Å; K375-S378 PolarHBondContact O-OG 2.9Å; K375-H379 PolarHBondContact O-N 2.94Å
376	Y	71.3	Confident	67.3	Low	12 Å²	12	74.3 Å²	74.3	5%	0.047	39%	0.394	C	S	.	.	H	α-helix	trans	-56.3	-49.5	174.7	-177.6	-91.8	0	0	0	111.7	L348 P350 L361 C363 F370 R372 I373 S378 H379 T380	L348-Y376 PolarHBondContact O-OH 2.85Å; P350-Y376 WeakPolarHBondContact CA-OH 3.36Å; P350-Y376 HydrophobicContact CB-CD1 4.42Å; P350-Y376 HydrophobicContact CB-CD2 4.35Å; P350-Y376 HydrophobicContact CB-CE1 3.88Å; P350-Y376 HydrophobicContact CB-CE2 3.79Å; P350-Y376 HydrophobicContact CG-CE1 4.2Å; L361-Y376 HydrophobicContact CB-CD2 3.9Å; L361-Y376 HydrophobicContact CB-CG 4.25Å; L361-Y376 HydrophobicContact CD1-CG 4.32Å; C363-Y376 HydrophobicContact CB-CE2 3.99Å; F370-Y376 HydrophobicContact CD2-CD2 4.02Å; R372-Y376 PolarHBondContact O-N 2.92Å; I373-Y376 CarbonylContact O-C 3.56Å; I373-Y376 WeakPolarHBondContact O-CA 3.32Å; I373-Y376 VanDerWaalsContact O-CB 3.32Å; I373-Y376 WeakPolarHBondContact O-CB 3.35Å; I373-Y376 PolarHBondContact O-N 3.33Å; Y376-S378 VanDerWaalsContact C-N 3.29Å; Y376-S378 PolarHBondContact O-N 2.94Å; Y376-H379 CarbonylContact O-C 3.52Å; Y376-H379 WeakPolarHBondContact O-CA 3.43Å; Y376-H379 WeakPolarHBondContact O-CB 3.36Å; Y376-H379 PolarHBondContact O-N 3.24Å; Y376-T380 HydrophobicContact CD1-CG2 3.9Å; Y376-T380 HydrophobicContact CE1-CG2 3.39Å; Y376-T380 PolarHBondContact O-N 2.85Å
377	E	65.6	Low	67.1	Low	85 Å²	85	78 Å²	78	40%	0.397	41%	0.406	S	S	.	.	H	α-helix	trans	-62.7	-29.4	175.2	-69.7	168.2	-142.7	0	0	114.1	I373 T380 R381	I373-E377 WeakPolarHBondContact O-CG 3.4Å; I373-E377 PolarHBondContact O-N 3.46Å; E377-T380 WeakPolarHBondContact CA-OG1 3.37Å; E377-T380 PolarHBondContact O-OG1 3.33Å; E377-R381 WeakPolarHBondContact O-CD 3.45Å; E377-R381 VanDerWaalsContact O-CG 3.32Å; E377-R381 WeakPolarHBondContact O-CG 3.2Å; E377-R381 PolarHBondContact O-NE 3.32Å
378	S	64.8	Low	67.4	Low	46 Å²	46	76 Å²	76	32%	0.322	40%	0.398	S	S	.	.	H	α-helix	trans	-75.1	-20.6	173.3	77.7	0	0	0	0	112.3	G374 K375 Y376	G374-S378 WeakPolarHBondContact O-CB 3.42Å; G374-S378 PolarHBondContact O-N 2.84Å; K375-S378 PolarHBondContact O-N 3.23Å; K375-S378 VanDerWaalsContact O-N 3.14Å; K375-S378 PolarHBondContact O-OG 2.9Å; Y376-S378 VanDerWaalsContact C-N 3.29Å; Y376-S378 PolarHBondContact O-N 2.94Å
379	H	71.6	Confident	67.4	Low	22 Å²	22	73 Å²	73	10%	0.102	39%	0.386	C	S	.	.	H	α-helix	trans	-92.7	-35.5	178.6	170	65.1	0	0	0	112.7	C363 C366 F370 K375 Y376 R381 V382 H383	C363-H379 WeakPolarHBondContact CB-NE2 3.35Å; C363-H379 PolarHBondContact SG-NE2 3.5Å; C363-H379 VanDerWaalsContact SG-NE2 3.42Å; C366-H379 PolarHBondContact SG-CE1 3.24Å; C366-H379 PolarHBondContact SG-NE2 3.35Å; F370-H379 HydrophobicContact CE1-CB 4.05Å; F370-H379 HydrophobicContact CE2-CB 4.05Å; F370-H379 AromaticContact CE2-CD2 3.31Å; F370-H379 WeakPolarHBondContact CE2-CD2 3.47Å; F370-H379 AromaticContact CE2-CG 3.64Å; F370-H379 AromaticContact CE2-NE2 3.95Å; F370-H379 HydrophobicContact CZ-CB 3.6Å; F370-H379 AromaticContact CZ-CD2 3.5Å; F370-H379 VanDerWaalsContact CZ-CD2 3.5Å; F370-H379 WeakPolarHBondContact CZ-CD2 3.28Å; F370-H379 AromaticContact CZ-CG 3.31Å; F370-H379 AromaticContact CZ-ND1 3.83Å; K375-H379 PolarHBondContact O-N 2.94Å; Y376-H379 CarbonylContact O-C 3.52Å; Y376-H379 WeakPolarHBondContact O-CA 3.43Å; Y376-H379 WeakPolarHBondContact O-CB 3.36Å; Y376-H379 PolarHBondContact O-N 3.24Å; H379-R381 PolarHBondContact O-N 2.98Å; H379-V382 WeakPolarHBondContact O-CA 3.31Å; H379-V382 WeakPolarHBondContact O-CB 3.47Å; H379-V382 WeakPolarHBondContact O-CG2 2.99Å; H379-V382 PolarHBondContact O-N 3.43Å; H379-H383 AromaticContact CD2-NE2 3.44Å; H379-H383 PolarHBondContact CD2-NE2 2.85Å; H379-H383 AromaticContact CE1-NE2 2.74Å; H379-H383 PolarHBondContact CE1-NE2 3.28Å; H379-H383 AromaticContact ND1-NE2 3.87Å; H379-H383 AromaticContact NE2-CD2 3.79Å; H379-H383 AromaticContact NE2-NE2 2.34Å; H379-H383 PolarHBondContact NE2-NE2 3.48Å
380	T	64.1	Low	67.2	Low	26 Å²	26	72.4 Å²	72.4	16%	0.16	38%	0.377	C	S	.	.	H	α-helix	trans	-60.4	-31.2	172.1	52.6	0	0	0	0	111.9	Y376 E377 V382 H383 T384	Y376-T380 HydrophobicContact CD1-CG2 3.9Å; Y376-T380 HydrophobicContact CE1-CG2 3.39Å; Y376-T380 PolarHBondContact O-N 2.85Å; E377-T380 WeakPolarHBondContact CA-OG1 3.37Å; E377-T380 PolarHBondContact O-OG1 3.33Å; T380-V382 PolarHBondContact O-N 2.7Å; T380-V382 VanDerWaalsContact O-N 3.17Å; T380-H383 WeakPolarHBondContact O-CA 3.39Å; T380-H383 WeakPolarHBondContact O-CB 3.24Å; T380-H383 PolarHBondContact O-N 3.37Å; T380-T384 PolarHBondContact O-N 3.06Å
381	R	70.1	Confident	67.3	Low	75 Å²	75	70.8 Å²	70.8	28%	0.283	37%	0.37	S	S	.	.	H	α-helix	trans	-62.1	-15.1	169.9	-65.4	167.5	-151.4	-106.7	2.6	114.6	E377 H379 T384 G385	E377-R381 WeakPolarHBondContact O-CD 3.45Å; E377-R381 VanDerWaalsContact O-CG 3.32Å; E377-R381 WeakPolarHBondContact O-CG 3.2Å; E377-R381 PolarHBondContact O-NE 3.32Å; H379-R381 PolarHBondContact O-N 2.98Å; R381-T384 WeakPolarHBondContact CA-OG1 3.22Å; R381-G385 PolarHBondContact O-N 2.94Å
382	V	63.6	Low	67.5	Low	99 Å²	99	71.3 Å²	71.3	60%	0.6	37%	0.373	S	S	*	.	H	α-helix	trans	-76.7	-32.6	169.6	-174.6	0	0	0	0	110.6	H379 T380	H379-V382 WeakPolarHBondContact O-CA 3.31Å; H379-V382 WeakPolarHBondContact O-CB 3.47Å; H379-V382 WeakPolarHBondContact O-CG2 2.99Å; H379-V382 PolarHBondContact O-N 3.43Å; T380-V382 PolarHBondContact O-N 2.7Å; T380-V382 VanDerWaalsContact O-N 3.17Å
383	H	61.8	Low	67.4	Low	77 Å²	77	68.9 Å²	68.9	36%	0.356	37%	0.37	S	S	.	.	H	α-helix	trans	-84.5	-30.8	177.1	-62.4	-77.8	0	0	0	113.2	L348 C363 K365 C366 H379 T380	L348-H383 HydrophobicContact CD1-CB 4.28Å; C363-H383 PolarHBondContact SG-NE2 2.95Å; K365-H383 PolarHBondContact O-CE1 2.3Å; C366-H383 VanDerWaalsContact CB-CE1 3.43Å; C366-H383 WeakPolarHBondContact CB-CE1 3.26Å; C366-H383 PolarHBondContact SG-CE1 3.25Å; C366-H383 PolarHBondContact SG-NE2 2.94Å; H379-H383 AromaticContact CD2-NE2 3.44Å; H379-H383 PolarHBondContact CD2-NE2 2.85Å; H379-H383 AromaticContact CE1-NE2 2.74Å; H379-H383 PolarHBondContact CE1-NE2 3.28Å; H379-H383 AromaticContact ND1-NE2 3.87Å; H379-H383 AromaticContact NE2-CD2 3.79Å; H379-H383 AromaticContact NE2-NE2 2.34Å; H379-H383 PolarHBondContact NE2-NE2 3.48Å; T380-H383 WeakPolarHBondContact O-CA 3.39Å; T380-H383 WeakPolarHBondContact O-CB 3.24Å; T380-H383 PolarHBondContact O-N 3.37Å
384	T	60.2	Low	67.7	Low	60 Å²	60	65.7 Å²	65.7	37%	0.368	36%	0.357	S	S	.	.	S	Bend	trans	-87.9	-10.8	174.5	65.3	0	0	0	0	113.8	L348 T380 R381 E386	L348-T384 HydrophobicContact CD1-CG2 4.14Å; T380-T384 PolarHBondContact O-N 3.06Å; R381-T384 WeakPolarHBondContact CA-OG1 3.22Å; T384-E386 PolarHBondContact O-N 2.87Å; T384-E386 VanDerWaalsContact O-N 3.15Å
385	G	58.3	Low	67.8	Low	48 Å²	48	69.5 Å²	69.5	50%	0.495	36%	0.362	S	S	.	.			trans	72.9	-2.4	177.7	0	0	0	0	0	115.7	R381	R381-G385 PolarHBondContact O-N 2.94Å
386	E	62.7	Low	68	Low	109 Å²	109	69.3 Å²	69.3	51%	0.509	36%	0.363	S	S	.	.			trans	-62.9	133.6	-175.5	-67.6	-173.7	161.6	0	0	113.3	T384	T384-E386 PolarHBondContact O-N 2.87Å; T384-E386 VanDerWaalsContact O-N 3.15Å
387	K	65.7	Low	67.9	Low	120 Å²	120	75.4 Å²	75.4	52%	0.522	39%	0.386	S	S	.	.			trans	-127.2	80.1	179.5	-68.4	164.4	179.6	175.1	0	110.8	R397 Y398	K387-R397 HydrophobicContact CB-CB 3.69Å; K387-R397 WeakPolarHBondContact CD-O 3.46Å; K387-R397 PolarHBondContact O-NE 3.49Å; K387-R397 VanDerWaalsContact O-NE 3.09Å; K387-R397 PolarHBondContact O-NH2 3.02Å; K387-Y398 CarbonylContact C-O 3.42Å; K387-Y398 WeakPolarHBondContact CA-O 3.25Å
388	P	68.4	Low	68.4	Low	64 Å²	64	73.5 Å²	73.5	42%	0.416	38%	0.375	S	S	.	.			trans	-76.7	-18.5	-175.6	-16.5	32.7	0	0	0	114.4
389	F	68.9	Low	68.6	Low	64 Å²	64	72.6 Å²	72.6	28%	0.281	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	91	-171	-58.7	-74.9	0	0	0	111.2	Y398 T400 K401 L404	F389-Y398 WeakPolarHBondContact CB-O 3.44Å; F389-Y398 PolarHBondContact N-O 3.41Å; F389-Y398 PolarHBondContact O-N 3.34Å; F389-T400 VanDerWaalsContact CD2-C 3.44Å; F389-K401 HydrophobicContact CD1-CB 3.92Å; F389-K401 HydrophobicContact CD1-CG 4.25Å; F389-K401 HydrophobicContact CE1-CB 3.85Å; F389-K401 HydrophobicContact CE1-CD 4.26Å; F389-K401 HydrophobicContact CE1-CG 4.3Å; F389-K401 HydrophobicContact CE2-CB 4.44Å; F389-K401 HydrophobicContact CG-CB 4.26Å; F389-K401 HydrophobicContact CZ-CB 4.12Å; F389-L404 HydrophobicContact CB-CB 4.25Å; F389-L404 HydrophobicContact CB-CD2 3.96Å
390	E	70.3	Confident	68.5	Low	69 Å²	69	72.7 Å²	72.7	32%	0.322	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	153.5	176.9	-163.5	161.4	124.5	0	0	112.6	H395 R397 L404	E390-H395 HydrophobicContact CG-CB 4.38Å; E390-H395 IonicContact OE1-CE1 2.72Å; E390-H395 IonicContact OE1-CG 2.65Å; E390-H395 IonicContact OE1-ND1 2.64Å; E390-H395 PolarHBondContact OE1-ND1 2.87Å; E390-R397 HydrophobicContact CB-CG 4.01Å; E390-R397 HydrophobicContact CG-CG 3.76Å; E390-R397 VanDerWaalsContact OE2-CD 3.26Å; E390-R397 WeakPolarHBondContact OE2-CD 3.47Å; E390-R397 WeakPolarHBondContact OE2-CG 3.33Å; E390-R397 IonicContact OE2-CZ 3.16Å; E390-R397 IonicContact OE2-NE 2.74Å; E390-R397 IonicContact OE2-NH1 2.61Å; E390-R397 PolarHBondContact OE2-NH1 3.45Å; E390-L404 WeakPolarHBondContact O-CD2 3.47Å
391	C	78.5	Confident	68.9	Low	0 Å²	0	78.4 Å²	78.4	0%	0	39%	0.394	C	S	.	.			trans	-97.1	112.6	175.7	-175.3	0	0	0	0	112.1	I393 C394 H395 Q396 Y398 L404 H407	C391-I393 PolarHBondContact O-N 3.27Å; C391-C394 PolarHBondContact O-N 2.88Å; C391-C394 VanDerWaalsContact O-N 3.13Å; C391-H395 WeakPolarHBondContact O-CA 3.47Å; C391-H395 PolarHBondContact O-N 3.26Å; C391-Q396 WeakPolarHBondContact CB-O 3.45Å; C391-Q396 PolarHBondContact N-O 2.92Å; C391-Y398 HydrophobicContact CB-CE2 4.34Å; C391-L404 HydrophobicContact CB-CD1 3.58Å; C391-H407 PolarHBondContact SG-CD2 2.82Å; C391-H407 PolarHBondContact SG-NE2 2.88Å
392	D	72.1	Confident	68.9	Low	108 Å²	108	78.8 Å²	78.8	58%	0.578	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.7	-7	177.6	-28	-44.2	0	0	0	116.3	R408	D392-R408 IonicContact OD2-CZ 2.68Å; D392-R408 IonicContact OD2-NH1 3.7Å; D392-R408 PolarHBondContact OD2-NH1 3.19Å; D392-R408 IonicContact OD2-NH2 3.33Å
393	I	72.6	Confident	69.4	Low	94 Å²	94	78 Å²	78	48%	0.482	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.3	-25.5	-174	-56.6	173.7	0	0	0	112.3	C391 H411	C391-I393 PolarHBondContact O-N 3.27Å; I393-H411 HydrophobicContact CD1-CB 3.8Å
394	C	78.1	Confident	70.2	Confident	46 Å²	46	75.2 Å²	75.2	31%	0.311	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-149.5	10.1	-175.9	69.4	0	0	0	0	114.7	C391 Q396 H407	C391-C394 PolarHBondContact O-N 2.88Å; C391-C394 VanDerWaalsContact O-N 3.13Å; C394-Q396 PolarHBondContact O-N 2.92Å; C394-H407 VanDerWaalsContact SG-CE1 3.59Å; C394-H407 PolarHBondContact SG-NE2 2.88Å
395	H	68.2	Low	70.9	Confident	124 Å²	124	75.9 Å²	75.9	57%	0.574	39%	0.392	S	S	*	.			trans	55.9	13.3	176.5	-58.9	-78.5	0	0	0	116.4	E390 C391 R397	E390-H395 HydrophobicContact CG-CB 4.38Å; E390-H395 IonicContact OE1-CE1 2.72Å; E390-H395 IonicContact OE1-CG 2.65Å; E390-H395 IonicContact OE1-ND1 2.64Å; E390-H395 PolarHBondContact OE1-ND1 2.87Å; C391-H395 WeakPolarHBondContact O-CA 3.47Å; C391-H395 PolarHBondContact O-N 3.26Å; H395-R397 PolarHBondContact O-N 3.37Å
396	Q	70.3	Confident	71.7	Confident	107 Å²	107	78.1 Å²	78.1	50%	0.5	40%	0.396	S	S	.	.			trans	-68.3	128.6	171.5	-67.7	-172.6	3.6	0	0	110.4	C391 C394 Y398	C391-Q396 WeakPolarHBondContact CB-O 3.45Å; C391-Q396 PolarHBondContact N-O 2.92Å; C394-Q396 PolarHBondContact O-N 2.92Å; Q396-Y398 HydrophobicContact CB-CE2 3.95Å; Q396-Y398 WeakPolarHBondContact CB-OH 3.36Å; Q396-Y398 WeakPolarHBondContact O-CD2 3.44Å; Q396-Y398 VanDerWaalsContact O-CE2 3.25Å; Q396-Y398 WeakPolarHBondContact O-CE2 3.38Å; Q396-Y398 PolarHBondContact OE1-OH 2.96Å
397	R	71.1	Confident	72.3	Confident	141 Å²	141	74.1 Å²	74.1	53%	0.532	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	134.8	-174.5	-59.8	178.4	70.6	141.7	-4.8	111.8	K387 E390 H395	K387-R397 HydrophobicContact CB-CB 3.69Å; K387-R397 WeakPolarHBondContact CD-O 3.46Å; K387-R397 PolarHBondContact O-NE 3.49Å; K387-R397 VanDerWaalsContact O-NE 3.09Å; K387-R397 PolarHBondContact O-NH2 3.02Å; E390-R397 HydrophobicContact CB-CG 4.01Å; E390-R397 HydrophobicContact CG-CG 3.76Å; E390-R397 VanDerWaalsContact OE2-CD 3.26Å; E390-R397 WeakPolarHBondContact OE2-CD 3.47Å; E390-R397 WeakPolarHBondContact OE2-CG 3.33Å; E390-R397 IonicContact OE2-CZ 3.16Å; E390-R397 IonicContact OE2-NE 2.74Å; E390-R397 IonicContact OE2-NH1 2.61Å; E390-R397 PolarHBondContact OE2-NH1 3.45Å; H395-R397 PolarHBondContact O-N 3.37Å
398	Y	75.2	Confident	72.6	Confident	44 Å²	44	73.7 Å²	73.7	17%	0.173	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	148.2	-176.2	-60.2	-76.9	0	0	0	112.1	K387 F389 C391 Q396 T400 N403 L404 H407	K387-Y398 CarbonylContact C-O 3.42Å; K387-Y398 WeakPolarHBondContact CA-O 3.25Å; F389-Y398 WeakPolarHBondContact CB-O 3.44Å; F389-Y398 PolarHBondContact N-O 3.41Å; F389-Y398 PolarHBondContact O-N 3.34Å; C391-Y398 HydrophobicContact CB-CE2 4.34Å; Q396-Y398 HydrophobicContact CB-CE2 3.95Å; Q396-Y398 WeakPolarHBondContact CB-OH 3.36Å; Q396-Y398 WeakPolarHBondContact O-CD2 3.44Å; Q396-Y398 VanDerWaalsContact O-CE2 3.25Å; Q396-Y398 WeakPolarHBondContact O-CE2 3.38Å; Q396-Y398 PolarHBondContact OE1-OH 2.96Å; Y398-T400 VanDerWaalsContact C-N 3.32Å; Y398-N403 HydrophobicContact CD1-CB 4.19Å; Y398-N403 HydrophobicContact CG-CB 4.42Å; Y398-L404 HydrophobicContact CD2-CB 3.88Å; Y398-L404 HydrophobicContact CD2-CD1 3.98Å; Y398-L404 HydrophobicContact CE2-CD1 4.19Å; Y398-L404 HydrophobicContact CG-CB 4.37Å; Y398-H407 HydrophobicContact CE1-CB 4.43Å; Y398-H407 HydrophobicContact CE2-CB 3.94Å; Y398-H407 AromaticContact CE2-CD2 3.84Å; Y398-H407 AromaticContact CE2-CG 3.79Å; Y398-H407 AromaticContact CZ-CG 3.61Å; Y398-H407 AromaticContact CZ-ND1 3.89Å; Y398-H407 PolarHBondContact OH-CE1 3.39Å; Y398-H407 PolarHBondContact OH-ND1 3.49Å
399	S	67.9	Low	72.7	Confident	28 Å²	28	76.6 Å²	76.6	20%	0.196	38%	0.379	C	S	.	.	S	Bend	trans	-73.2	-21.5	174.4	52.2	0	0	0	0	113.3
400	T	71.1	Confident	72.6	Confident	24 Å²	24	80.9 Å²	80.9	15%	0.147	40%	0.397	C	S	.	.	S	Bend	trans	-134.1	143.8	179	80	0	0	0	0	113.1	F389 Y398 S402 N403 L404	F389-T400 VanDerWaalsContact CD2-C 3.44Å; Y398-T400 VanDerWaalsContact C-N 3.32Å; T400-S402 PolarHBondContact O-N 3.07Å; T400-N403 PolarHBondContact O-N 2.7Å; T400-N403 VanDerWaalsContact O-N 3.16Å; T400-N403 WeakPolarHBondContact OG1-CB 3.5Å; T400-N403 PolarHBondContact OG1-N 3.14Å; T400-N403 VanDerWaalsContact OG1-N 3.17Å; T400-N403 PolarHBondContact OG1-ND2 3.31Å; T400-N403 PolarHBondContact OG1-OD1 3.49Å; T400-L404 PolarHBondContact O-N 3.09Å
401	K	71.4	Confident	72.4	Confident	146 Å²	146	80.1 Å²	80.1	64%	0.635	39%	0.393	S	S	*	.	H	α-helix	trans	-60.6	-30.3	174.2	-165.6	170.2	-175.3	170.7	0	112.5	F389 T405	F389-K401 HydrophobicContact CD1-CB 3.92Å; F389-K401 HydrophobicContact CD1-CG 4.25Å; F389-K401 HydrophobicContact CE1-CB 3.85Å; F389-K401 HydrophobicContact CE1-CD 4.26Å; F389-K401 HydrophobicContact CE1-CG 4.3Å; F389-K401 HydrophobicContact CE2-CB 4.44Å; F389-K401 HydrophobicContact CG-CB 4.26Å; F389-K401 HydrophobicContact CZ-CB 4.12Å; K401-T405 WeakPolarHBondContact O-CB 3.32Å; K401-T405 PolarHBondContact O-N 3Å; K401-T405 PolarHBondContact O-OG1 3.27Å
402	S	71.4	Confident	71.4	Confident	83 Å²	83	82.2 Å²	82.2	58%	0.58	41%	0.408	S	S	*	.	H	α-helix	trans	-62.3	-46.6	174.1	-53.5	0	0	0	0	111.6	T400 T405 V406	T400-S402 PolarHBondContact O-N 3.07Å; S402-T405 WeakPolarHBondContact O-CB 3.48Å; S402-T405 PolarHBondContact O-N 2.94Å; S402-T405 VanDerWaalsContact O-N 3.09Å; S402-V406 PolarHBondContact O-N 3.02Å
403	N	73.8	Confident	70.3	Confident	83 Å²	83	83.2 Å²	83.2	44%	0.444	41%	0.414	S	S	.	.	H	α-helix	trans	-67.8	-41	-179.3	-67	2	0	0	0	111.1	Y398 T400 T405 V406 H407	Y398-N403 HydrophobicContact CD1-CB 4.19Å; Y398-N403 HydrophobicContact CG-CB 4.42Å; T400-N403 PolarHBondContact O-N 2.7Å; T400-N403 VanDerWaalsContact O-N 3.16Å; T400-N403 WeakPolarHBondContact OG1-CB 3.5Å; T400-N403 PolarHBondContact OG1-N 3.14Å; T400-N403 VanDerWaalsContact OG1-N 3.17Å; T400-N403 PolarHBondContact OG1-ND2 3.31Å; T400-N403 PolarHBondContact OG1-OD1 3.49Å; N403-T405 VanDerWaalsContact C-N 3.28Å; N403-T405 PolarHBondContact O-N 3.37Å; N403-V406 PolarHBondContact O-N 2.96Å; N403-H407 WeakPolarHBondContact O-CB 3.36Å; N403-H407 PolarHBondContact O-N 3.23Å
404	L	77.8	Confident	69.1	Low	17 Å²	17	87.1 Å²	87.1	9%	0.089	43%	0.43	C	S	.	.	H	α-helix	trans	-57.1	-40.5	169	172.4	60.6	0	0	0	112	F389 E390 C391 Y398 T400 H407 R408	F389-L404 HydrophobicContact CB-CB 4.25Å; F389-L404 HydrophobicContact CB-CD2 3.96Å; E390-L404 WeakPolarHBondContact O-CD2 3.47Å; C391-L404 HydrophobicContact CB-CD1 3.58Å; Y398-L404 HydrophobicContact CD2-CB 3.88Å; Y398-L404 HydrophobicContact CD2-CD1 3.98Å; Y398-L404 HydrophobicContact CE2-CD1 4.19Å; Y398-L404 HydrophobicContact CG-CB 4.37Å; T400-L404 PolarHBondContact O-N 3.09Å; L404-H407 PolarHBondContact O-N 2.96Å; L404-R408 HydrophobicContact CD1-CG 4.01Å; L404-R408 WeakPolarHBondContact O-CB 3.48Å; L404-R408 WeakPolarHBondContact O-CG 3.44Å; L404-R408 PolarHBondContact O-N 3.43Å
405	T	74.6	Confident	67.3	Low	74 Å²	74	89.4 Å²	89.4	45%	0.454	44%	0.442	S	S	.	.	H	α-helix	trans	-69.5	-32.5	179	-53.7	0	0	0	0	112.4	K401 S402 N403 K409	K401-T405 WeakPolarHBondContact O-CB 3.32Å; K401-T405 PolarHBondContact O-N 3Å; K401-T405 PolarHBondContact O-OG1 3.27Å; S402-T405 WeakPolarHBondContact O-CB 3.48Å; S402-T405 PolarHBondContact O-N 2.94Å; S402-T405 VanDerWaalsContact O-N 3.09Å; N403-T405 VanDerWaalsContact C-N 3.28Å; N403-T405 PolarHBondContact O-N 3.37Å; T405-K409 WeakPolarHBondContact O-CG 3.3Å; T405-K409 PolarHBondContact O-N 2.65Å
406	V	75.3	Confident	66.2	Low	95 Å²	95	92.5 Å²	92.5	58%	0.576	46%	0.457	S	S	*	.	H	α-helix	trans	-72.9	-40.6	172	173.5	0	0	0	0	111	S402 N403 K409	S402-V406 PolarHBondContact O-N 3.02Å; N403-V406 PolarHBondContact O-N 2.96Å; V406-K409 WeakPolarHBondContact O-CB 3.32Å; V406-K409 PolarHBondContact O-N 2.82Å; V406-K409 VanDerWaalsContact O-N 3.15Å
407	H	75.8	Confident	64.4	Low	25 Å²	25	95.4 Å²	95.4	12%	0.116	47%	0.469	C	S	.	.	H	α-helix	trans	-63.2	-45.1	175.3	170.2	80.8	0	0	0	112.1	C391 C394 Y398 N403 L404 K409 K410 H411	C391-H407 PolarHBondContact SG-CD2 2.82Å; C391-H407 PolarHBondContact SG-NE2 2.88Å; C394-H407 VanDerWaalsContact SG-CE1 3.59Å; C394-H407 PolarHBondContact SG-NE2 2.88Å; Y398-H407 HydrophobicContact CE1-CB 4.43Å; Y398-H407 HydrophobicContact CE2-CB 3.94Å; Y398-H407 AromaticContact CE2-CD2 3.84Å; Y398-H407 AromaticContact CE2-CG 3.79Å; Y398-H407 AromaticContact CZ-CG 3.61Å; Y398-H407 AromaticContact CZ-ND1 3.89Å; Y398-H407 PolarHBondContact OH-CE1 3.39Å; Y398-H407 PolarHBondContact OH-ND1 3.49Å; N403-H407 WeakPolarHBondContact O-CB 3.36Å; N403-H407 PolarHBondContact O-N 3.23Å; L404-H407 PolarHBondContact O-N 2.96Å; H407-K409 PolarHBondContact O-N 2.85Å; H407-K409 VanDerWaalsContact O-N 3.11Å; H407-K410 WeakPolarHBondContact O-CB 3.48Å; H407-K410 PolarHBondContact O-N 2.81Å; H407-H411 AromaticContact CD2-CD2 3.97Å; H407-H411 AromaticContact CD2-NE2 3.84Å; H407-H411 AromaticContact CE1-NE2 3.57Å; H407-H411 AromaticContact NE2-CD2 3.52Å; H407-H411 AromaticContact NE2-NE2 2.94Å; H407-H411 PolarHBondContact NE2-NE2 2.88Å
408	R	72	Confident	63.3	Low	112 Å²	112	96.9 Å²	96.9	42%	0.423	48%	0.481	S	S	.	.	H	α-helix	trans	-60.5	-19.6	173.8	-75.7	-178.3	66.9	159.6	9.4	113.8	D392 L404 K410 S412	D392-R408 IonicContact OD2-CZ 2.68Å; D392-R408 IonicContact OD2-NH1 3.7Å; D392-R408 PolarHBondContact OD2-NH1 3.19Å; D392-R408 IonicContact OD2-NH2 3.33Å; L404-R408 HydrophobicContact CD1-CG 4.01Å; L404-R408 WeakPolarHBondContact O-CB 3.48Å; L404-R408 WeakPolarHBondContact O-CG 3.44Å; L404-R408 PolarHBondContact O-N 3.43Å; R408-K410 VanDerWaalsContact C-N 3.34Å; R408-S412 PolarHBondContact O-N 2.7Å; R408-S412 VanDerWaalsContact O-N 3.11Å
409	K	71.3	Confident	61.9	Low	125 Å²	125	102.7 Å²	102.7	54%	0.543	51%	0.507	S	S	.	.	H	α-helix	trans	-74.8	-19.3	170.2	-72.4	172.6	-178.3	176.1	0	113.9	T405 V406 H407 S412 N413	T405-K409 WeakPolarHBondContact O-CG 3.3Å; T405-K409 PolarHBondContact O-N 2.65Å; V406-K409 WeakPolarHBondContact O-CB 3.32Å; V406-K409 PolarHBondContact O-N 2.82Å; V406-K409 VanDerWaalsContact O-N 3.15Å; H407-K409 PolarHBondContact O-N 2.85Å; H407-K409 VanDerWaalsContact O-N 3.11Å; K409-S412 WeakPolarHBondContact CA-OG 3.4Å; K409-S412 PolarHBondContact O-OG 2.93Å; K409-N413 PolarHBondContact O-N 2.92Å; K409-N413 PolarHBondContact O-ND2 3.08Å; K409-N413 PolarHBondContact O-OD1 3.44Å
410	K	65.6	Low	61.1	Low	154 Å²	154	110.5 Å²	110.5	67%	0.67	54%	0.538	S	S	*	.	H	α-helix	trans	-68.1	-49.6	168	-67.6	-167.9	172	-170.2	0	110.1	H407 R408 S412 N413	H407-K410 WeakPolarHBondContact O-CB 3.48Å; H407-K410 PolarHBondContact O-N 2.81Å; R408-K410 VanDerWaalsContact C-N 3.34Å; K410-S412 PolarHBondContact O-N 3.32Å; K410-N413 WeakPolarHBondContact O-CB 3.46Å; K410-N413 PolarHBondContact O-N 3.48Å
411	H	66.2	Low	60.6	Low	52 Å²	52	113.8 Å²	113.8	24%	0.241	55%	0.551	C	S	.	*	H	α-helix	trans	-56.8	-35.4	173.2	-63.6	-54	0	0	0	112.9	I393 H407 N413	I393-H411 HydrophobicContact CD1-CB 3.8Å; H407-H411 AromaticContact CD2-CD2 3.97Å; H407-H411 AromaticContact CD2-NE2 3.84Å; H407-H411 AromaticContact CE1-NE2 3.57Å; H407-H411 AromaticContact NE2-CD2 3.52Å; H407-H411 AromaticContact NE2-NE2 2.94Å; H407-H411 PolarHBondContact NE2-NE2 2.88Å; H411-N413 VanDerWaalsContact C-N 3.26Å; H411-N413 PolarHBondContact O-N 3.16Å
412	S	58.3	Low	60.5	Low	45 Å²	45	109.7 Å²	109.7	32%	0.315	53%	0.534	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.8	8.6	175.8	80.5	0	0	0	0	115.4	R408 K409 K410	R408-S412 PolarHBondContact O-N 2.7Å; R408-S412 VanDerWaalsContact O-N 3.11Å; K409-S412 WeakPolarHBondContact CA-OG 3.4Å; K409-S412 PolarHBondContact O-OG 2.93Å; K410-S412 PolarHBondContact O-N 3.32Å
413	N	48.9	Very low	60.5	Low	129 Å²	129	112.3 Å²	112.3	69%	0.69	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.3	-18.9	172.8	-70.4	-24.6	0	0	0	112.6	K409 K410 H411 T415	K409-N413 PolarHBondContact O-N 2.92Å; K409-N413 PolarHBondContact O-ND2 3.08Å; K409-N413 PolarHBondContact O-OD1 3.44Å; K410-N413 WeakPolarHBondContact O-CB 3.46Å; K410-N413 PolarHBondContact O-N 3.48Å; H411-N413 VanDerWaalsContact C-N 3.26Å; H411-N413 PolarHBondContact O-N 3.16Å; N413-T415 VanDerWaalsContact C-N 3.33Å
414	E	46.5	Very low	60.4	Low	176 Å²	176	108.3 Å²	108.3	82%	0.822	51%	0.514	S	S	*	.	S	Bend	trans	-92.2	7.6	-178.7	-66.5	175.2	180	0	0	112.9
415	T	41	Very low	60	Low	93 Å²	93	111.6 Å²	111.6	57%	0.571	54%	0.536	S	S	*	.	S	Bend	trans	-128.9	131.7	172.4	40.8	0	0	0	0	110.8	N413 F417	N413-T415 VanDerWaalsContact C-N 3.33Å; T415-F417 PolarHBondContact O-N 3.13Å
416	E	43.9	Very low	59.8	Low	189 Å²	189	111.7 Å²	111.7	88%	0.883	53%	0.529	S	S	*	.			trans	-65.7	105	-172	-74.6	-156.4	112.7	0	0	113.5	H418	E416-H418 PolarHBondContact O-N 3.19Å
417	F	33.4	Very low	59.7	Low	169 Å²	169	109.8 Å²	109.8	74%	0.741	52%	0.519	S	S	*	.			trans	-80.7	108.3	169.1	-112.1	-87.3	0	0	0	111.5	T415 K419	T415-F417 PolarHBondContact O-N 3.13Å; F417-K419 PolarHBondContact O-N 3.5Å
418	H	47.3	Very low	59.1	Low	171 Å²	171	114.2 Å²	114.2	79%	0.792	54%	0.544	S	S	*	.			trans	-55.6	93.8	169.1	-76	-35.7	0	0	0	112.1	E416 K420	E416-H418 PolarHBondContact O-N 3.19Å; H418-K420 PolarHBondContact O-N 3.37Å
419	K	46.8	Very low	59.1	Low	167 Å²	167	113.4 Å²	113.4	73%	0.726	54%	0.543	S	S	*	.			trans	-65.8	117.4	172.4	-70.2	167.6	-174.2	160.1	0	109.1	F417 E421	F417-K419 PolarHBondContact O-N 3.5Å; K419-E421 HydrophobicContact CB-CG 3.89Å; K419-E421 PolarHBondContact O-N 3.49Å
420	K	49.8	Very low	59.4	Low	192 Å²	192	111.8 Å²	111.8	84%	0.835	54%	0.54	S	S	*	.			trans	-76.2	76.5	171.9	-73.9	-177.8	178.3	173.9	0	110.1	H418 H422	H418-K420 PolarHBondContact O-N 3.37Å; K420-H422 PolarHBondContact O-CE1 2.95Å
421	E	61.9	Low	59.8	Low	92 Å²	92	105.8 Å²	105.8	43%	0.43	51%	0.514	S	S	.	.			trans	-72.6	143.3	-177.9	-67.5	-176.1	174.8	0	0	112.3	K419 K423 L430	K419-E421 HydrophobicContact CB-CG 3.89Å; K419-E421 PolarHBondContact O-N 3.49Å; E421-K423 PolarHBondContact O-N 2.83Å; E421-K423 VanDerWaalsContact O-N 3.16Å; E421-L430 HydrophobicContact CB-CD2 3.68Å
422	H	68.2	Low	60.1	Low	61 Å²	61	108 Å²	108	28%	0.282	54%	0.542	S	S	.	.			trans	-91.2	86.2	-170.4	-65.9	79.4	0	0	0	110.3	K420 H431 K434 L437	K420-H422 PolarHBondContact O-CE1 2.95Å; H422-H431 WeakPolarHBondContact CB-O 2.85Å; H422-H431 PolarHBondContact N-O 3.06Å; H422-H431 WeakPolarHBondContact O-CB 3.38Å; H422-H431 PolarHBondContact O-N 3.09Å; H422-K434 WeakPolarHBondContact CD2-CG 3.22Å; H422-K434 WeakPolarHBondContact NE2-CE 3.48Å; H422-K434 WeakPolarHBondContact NE2-CG 3.24Å; H422-L437 HydrophobicContact CB-CD2 4.12Å
423	K	71.9	Confident	60.9	Low	137 Å²	137	108 Å²	108	60%	0.596	54%	0.541	S	S	*	.			trans	-55.2	137.8	173.4	-68.4	-178	177.6	-174.1	0	111.5	E421 K429 L430	E421-K423 PolarHBondContact O-N 2.83Å; E421-K423 VanDerWaalsContact O-N 3.16Å; K423-K429 CarbonylContact C-O 3.34Å; K423-L430 HydrophobicContact CD-CD2 4.3Å; K423-L430 HydrophobicContact CG-CD2 3.45Å; K423-L430 VanDerWaalsContact CG-CD2 3.45Å; K423-L430 HydrophobicContact CG-CG 4.38Å
424	C	72.1	Confident	62.1	Low	0 Å²	0	108.3 Å²	108.3	0%	0	54%	0.537	C	S	.	.			trans	-75.6	125.3	169.5	-173.7	0	0	0	0	110.9	Y426 C427 N428 K429 L437	C424-Y426 PolarHBondContact O-N 3.41Å; C424-Y426 VanDerWaalsContact O-N 3.12Å; C424-C427 VanDerWaalsContact CB-SG 3.58Å; C424-C427 PolarHBondContact O-N 3.48Å; C424-C427 VanDerWaalsContact SG-SG 3.6Å; C424-N428 WeakPolarHBondContact O-CA 3.39Å; C424-N428 PolarHBondContact O-N 3.32Å; C424-K429 HydrophobicContact CB-CB 4.49Å; C424-K429 PolarHBondContact N-O 3.31Å; C424-L437 VanDerWaalsContact CA-CD1 3.49Å; C424-L437 HydrophobicContact CB-CD1 3.59Å
425	P	69	Low	63.2	Low	86 Å²	86	108 Å²	108	56%	0.558	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-24	-179.7	-25.8	35.2	0	0	0	115.1
426	Y	69.8	Low	64.9	Low	75 Å²	75	106.5 Å²	106.5	29%	0.294	52%	0.524	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.1	-7.6	-169.9	-50.4	-68.2	0	0	0	114.3	C424 V441 H445 N448	C424-Y426 PolarHBondContact O-N 3.41Å; C424-Y426 VanDerWaalsContact O-N 3.12Å; Y426-V441 HydrophobicContact CD2-CG1 4.49Å; Y426-V441 HydrophobicContact CE2-CG1 4.34Å; Y426-H445 HydrophobicContact CD2-CB 4.31Å; Y426-N448 HydrophobicContact CD1-CB 4.36Å; Y426-N448 VanDerWaalsContact CD1-ND2 3.29Å; Y426-N448 WeakPolarHBondContact CD1-ND2 3.31Å; Y426-N448 HydrophobicContact CD2-CB 4.36Å; Y426-N448 HydrophobicContact CE1-CB 3.84Å; Y426-N448 WeakPolarHBondContact CE1-ND2 3.48Å; Y426-N448 HydrophobicContact CE2-CB 3.85Å
427	C	73.3	Confident	66.5	Low	56 Å²	56	98.1 Å²	98.1	38%	0.378	49%	0.485	S	S	.	.	T	Hydrogen-bonded Turn	trans	-152.6	9.9	177.9	68.6	0	0	0	0	114.3	C424 K429 H440 H445	C424-C427 VanDerWaalsContact CB-SG 3.58Å; C424-C427 PolarHBondContact O-N 3.48Å; C424-C427 VanDerWaalsContact SG-SG 3.6Å; C427-K429 PolarHBondContact O-N 2.8Å; C427-H440 PolarHBondContact SG-NE2 3.12Å; C427-H445 PolarHBondContact SG-NE2 3.12Å; C427-H445 VanDerWaalsContact SG-NE2 3.4Å
428	N	63.6	Low	68.4	Low	117 Å²	117	90.9 Å²	90.9	63%	0.626	46%	0.456	S	S	*	.			trans	56.5	-1	-178.4	-69.6	-57.3	0	0	0	117.4	C424 L430	C424-N428 WeakPolarHBondContact O-CA 3.39Å; C424-N428 PolarHBondContact O-N 3.32Å; N428-L430 PolarHBondContact O-N 3.28Å
429	K	73.1	Confident	69.7	Low	96 Å²	96	90 Å²	90	42%	0.417	45%	0.45	S	S	.	.			trans	-57	129.8	-177.8	-156.9	157.4	-164.3	154.7	0	111.4	N72 K423 C424 C427 H431	N72-K429 PolarHBondContact OD1-NZ 2.99Å; K423-K429 CarbonylContact C-O 3.34Å; C424-K429 HydrophobicContact CB-CB 4.49Å; C424-K429 PolarHBondContact N-O 3.31Å; C427-K429 PolarHBondContact O-N 2.8Å; K429-H431 PolarHBondContact O-CD2 3.07Å; K429-H431 VanDerWaalsContact O-CD2 3.28Å
430	L	76.5	Confident	71.3	Confident	90 Å²	90	83 Å²	83	47%	0.471	42%	0.42	S	S	.	.			trans	-81	138.4	-175.6	-69.9	158.7	0	0	0	110.5	E421 K423 N428	E421-L430 HydrophobicContact CB-CD2 3.68Å; K423-L430 HydrophobicContact CD-CD2 4.3Å; K423-L430 HydrophobicContact CG-CD2 3.45Å; K423-L430 VanDerWaalsContact CG-CD2 3.45Å; K423-L430 HydrophobicContact CG-CG 4.38Å; N428-L430 PolarHBondContact O-N 3.28Å
431	H	73.6	Confident	72.6	Confident	28 Å²	28	73.9 Å²	73.9	13%	0.13	38%	0.38	C	S	.	.			trans	-135.2	133.5	179.5	-63.9	-70.8	0	0	0	112.3	H422 K429 S433 L437 H440	H422-H431 WeakPolarHBondContact CB-O 2.85Å; H422-H431 PolarHBondContact N-O 3.06Å; H422-H431 WeakPolarHBondContact O-CB 3.38Å; H422-H431 PolarHBondContact O-N 3.09Å; K429-H431 PolarHBondContact O-CD2 3.07Å; K429-H431 VanDerWaalsContact O-CD2 3.28Å; H431-S433 PolarHBondContact O-N 3.42Å; H431-L437 HydrophobicContact CB-CB 4Å; H431-H440 AromaticContact CE1-CD2 3.86Å; H431-H440 AromaticContact CE1-CG 3.6Å; H431-H440 AromaticContact NE2-CD2 3.17Å; H431-H440 PolarHBondContact NE2-CD2 3.18Å; H431-H440 AromaticContact NE2-CG 3.39Å
432	A	74.3	Confident	73.1	Confident	100 Å²	100	75.8 Å²	75.8	83%	0.826	39%	0.387	S	S	*	.	S	Bend	trans	-61.2	-13.3	175.8	0	0	0	0	0	114.5
433	S	74.5	Confident	73.4	Confident	43 Å²	43	82.6 Å²	82.6	30%	0.301	41%	0.41	S	S	.	.			trans	-155.3	149	-179.7	-175.1	0	0	0	0	113.7	H431 K435 T436 L437	H431-S433 PolarHBondContact O-N 3.42Å; S433-K435 PolarHBondContact O-N 3.3Å; S433-K435 VanDerWaalsContact O-N 3.1Å; S433-K435 PolarHBondContact OG-N 3.18Å; S433-K435 VanDerWaalsContact OG-N 3.13Å; S433-T436 PolarHBondContact N-OG1 2.81Å; S433-T436 PolarHBondContact O-N 3.05Å; S433-T436 PolarHBondContact O-OG1 2.98Å; S433-L437 PolarHBondContact O-N 3.18Å
434	K	73.1	Confident	73.3	Confident	136 Å²	136	82.7 Å²	82.7	59%	0.591	41%	0.411	S	S	*	.	H	α-helix	trans	-56	-22.1	165.3	-61.3	-176.5	-175.8	-179.6	0	113.2	H422 A438	H422-K434 WeakPolarHBondContact CD2-CG 3.22Å; H422-K434 WeakPolarHBondContact NE2-CE 3.48Å; H422-K434 WeakPolarHBondContact NE2-CG 3.24Å; K434-A438 VanDerWaalsContact O-CB 3.26Å; K434-A438 WeakPolarHBondContact O-CB 3.48Å; K434-A438 PolarHBondContact O-N 3.03Å
435	K	71	Confident	73.4	Confident	169 Å²	169	84.7 Å²	84.7	74%	0.735	42%	0.42	S	S	*	.	H	α-helix	trans	-76.6	-39.7	173.5	-71.2	-177.6	178.4	176.5	0	112.3	S433 K439	S433-K435 PolarHBondContact O-N 3.3Å; S433-K435 VanDerWaalsContact O-N 3.1Å; S433-K435 PolarHBondContact OG-N 3.18Å; S433-K435 VanDerWaalsContact OG-N 3.13Å; K435-K439 PolarHBondContact O-N 2.82Å
436	T	75.6	Confident	73.1	Confident	63 Å²	63	85 Å²	85	39%	0.387	42%	0.423	S	S	.	.	H	α-helix	trans	-77	-41	178.5	45.8	0	0	0	0	111.6	S433 A438 K439 H440	S433-T436 PolarHBondContact N-OG1 2.81Å; S433-T436 PolarHBondContact O-N 3.05Å; S433-T436 PolarHBondContact O-OG1 2.98Å; T436-A438 VanDerWaalsContact C-N 3.3Å; T436-A438 PolarHBondContact O-N 3.35Å; T436-K439 PolarHBondContact O-N 2.84Å; T436-K439 VanDerWaalsContact O-N 3.11Å; T436-H440 PolarHBondContact O-N 2.87Å
437	L	78.6	Confident	72.9	Confident	12 Å²	12	89.7 Å²	89.7	6%	0.063	45%	0.447	C	S	.	.	H	α-helix	trans	-53	-46.9	168.7	169.9	58.1	0	0	0	111.6	H422 C424 H431 S433 K439 H440 V441 F452	H422-L437 HydrophobicContact CB-CD2 4.12Å; C424-L437 VanDerWaalsContact CA-CD1 3.49Å; C424-L437 HydrophobicContact CB-CD1 3.59Å; H431-L437 HydrophobicContact CB-CB 4Å; S433-L437 PolarHBondContact O-N 3.18Å; L437-K439 VanDerWaalsContact C-N 3.32Å; L437-K439 PolarHBondContact O-N 3.45Å; L437-H440 PolarHBondContact O-N 3.47Å; L437-H440 VanDerWaalsContact O-N 3.09Å; L437-V441 HydrophobicContact CD1-CG2 3.77Å; L437-V441 HydrophobicContact CG-CG2 4.44Å; L437-V441 WeakPolarHBondContact O-CG2 3.45Å; L437-V441 PolarHBondContact O-N 2.88Å; L437-F452 HydrophobicContact CD2-CZ 4.11Å; L437-F452 HydrophobicContact CG-CZ 4.08Å
438	A	72	Confident	72.1	Confident	17 Å²	17	90 Å²	90	14%	0.14	45%	0.445	C	S	.	.	H	α-helix	trans	-66.2	-29.9	179.6	0	0	0	0	0	114.1	K434 T436 K442 F452 K456	K434-A438 VanDerWaalsContact O-CB 3.26Å; K434-A438 WeakPolarHBondContact O-CB 3.48Å; K434-A438 PolarHBondContact O-N 3.03Å; T436-A438 VanDerWaalsContact C-N 3.3Å; T436-A438 PolarHBondContact O-N 3.35Å; A438-K442 WeakPolarHBondContact O-CB 3.31Å; A438-K442 WeakPolarHBondContact O-CG 3.24Å; A438-K442 PolarHBondContact O-N 3.03Å; A438-F452 HydrophobicContact CB-CE1 4.02Å; A438-K456 VanDerWaalsContact CB-NZ 3.34Å
439	K	75.8	Confident	72	Confident	152 Å²	152	85 Å²	85	66%	0.661	42%	0.42	S	S	*	.	H	α-helix	trans	-73.9	-30.8	171.6	-74.5	-177.8	177	-175.7	0	112.1	K435 T436 L437 R443	K435-K439 PolarHBondContact O-N 2.82Å; T436-K439 PolarHBondContact O-N 2.84Å; T436-K439 VanDerWaalsContact O-N 3.11Å; L437-K439 VanDerWaalsContact C-N 3.32Å; L437-K439 PolarHBondContact O-N 3.45Å; K439-R443 WeakPolarHBondContact O-CB 3.44Å; K439-R443 WeakPolarHBondContact O-CG 3.39Å; K439-R443 PolarHBondContact O-N 2.88Å
440	H	79.4	Confident	71.3	Confident	22 Å²	22	87.4 Å²	87.4	10%	0.102	43%	0.432	C	S	.	.	H	α-helix	trans	-73.3	-51.6	175.7	164.3	68	0	0	0	111.6	C427 H431 T436 L437 K442 R443 F444 H445	C427-H440 PolarHBondContact SG-NE2 3.12Å; H431-H440 AromaticContact CE1-CD2 3.86Å; H431-H440 AromaticContact CE1-CG 3.6Å; H431-H440 AromaticContact NE2-CD2 3.17Å; H431-H440 PolarHBondContact NE2-CD2 3.18Å; H431-H440 AromaticContact NE2-CG 3.39Å; T436-H440 PolarHBondContact O-N 2.87Å; L437-H440 PolarHBondContact O-N 3.47Å; L437-H440 VanDerWaalsContact O-N 3.09Å; H440-K442 VanDerWaalsContact C-N 3.31Å; H440-K442 PolarHBondContact O-N 3.29Å; H440-R443 PolarHBondContact O-N 2.64Å; H440-F444 AromaticContact CE1-CD2 3.73Å; H440-F444 AromaticContact CE1-CG 3.85Å; H440-F444 AromaticContact ND1-CD2 3.15Å; H440-F444 WeakPolarHBondContact ND1-CD2 3.43Å; H440-F444 AromaticContact ND1-CE2 3.83Å; H440-F444 AromaticContact ND1-CG 3.76Å; H440-F444 WeakPolarHBondContact O-CD2 3.21Å; H440-F444 PolarHBondContact O-N 3.13Å; H440-H445 AromaticContact NE2-CD2 3.88Å; H440-H445 AromaticContact NE2-NE2 3.68Å
441	V	77	Confident	70.4	Confident	0 Å²	0	88.6 Å²	88.6	0%	0	44%	0.436	C	S	.	.	H	α-helix	trans	-54	-47.7	175.8	175.4	0	0	0	0	110.8	Y426 L437 R443 F444 H445 A449 F452	Y426-V441 HydrophobicContact CD2-CG1 4.49Å; Y426-V441 HydrophobicContact CE2-CG1 4.34Å; L437-V441 HydrophobicContact CD1-CG2 3.77Å; L437-V441 HydrophobicContact CG-CG2 4.44Å; L437-V441 WeakPolarHBondContact O-CG2 3.45Å; L437-V441 PolarHBondContact O-N 2.88Å; V441-R443 PolarHBondContact O-N 3.38Å; V441-F444 PolarHBondContact O-N 3.27Å; V441-H445 HydrophobicContact CG1-CB 4.31Å; V441-H445 CarbonylContact O-C 3.57Å; V441-H445 VanDerWaalsContact O-C 3.29Å; V441-H445 WeakPolarHBondContact O-CA 3.36Å; V441-H445 PolarHBondContact O-N 3.01Å; V441-A449 HydrophobicContact CG1-CB 4.48Å; V441-F452 HydrophobicContact CB-CD1 4.32Å; V441-F452 HydrophobicContact CG1-CB 4.03Å; V441-F452 HydrophobicContact CG1-CD1 4.13Å; V441-F452 HydrophobicContact CG1-CG 4.05Å; V441-F452 HydrophobicContact CG2-CD1 4.49Å; V441-F452 HydrophobicContact CG2-CE1 4.45Å
442	K	72.9	Confident	69.7	Low	131 Å²	131	88.7 Å²	88.7	57%	0.57	44%	0.436	S	S	*	.	H	α-helix	trans	-64.3	-8.5	176	-76.6	-166.8	174.2	-140.6	0	116.2	A438 H440 A449	A438-K442 WeakPolarHBondContact O-CB 3.31Å; A438-K442 WeakPolarHBondContact O-CG 3.24Å; A438-K442 PolarHBondContact O-N 3.03Å; H440-K442 VanDerWaalsContact C-N 3.31Å; H440-K442 PolarHBondContact O-N 3.29Å; K442-A449 HydrophobicContact CG-CB 4.41Å
443	R	74.1	Confident	69	Low	205 Å²	205	86.5 Å²	86.5	77%	0.774	41%	0.409	S	S	*	.	H	α-helix	trans	-113.3	-26.5	179.8	-81.9	-178.3	168.4	-169.8	-6	114	K439 H440 V441	K439-R443 WeakPolarHBondContact O-CB 3.44Å; K439-R443 WeakPolarHBondContact O-CG 3.39Å; K439-R443 PolarHBondContact O-N 2.88Å; H440-R443 PolarHBondContact O-N 2.64Å; V441-R443 PolarHBondContact O-N 3.38Å
444	F	69.8	Low	68.1	Low	139 Å²	139	87.2 Å²	87.2	61%	0.61	42%	0.415	S	S	*	.	H	α-helix	trans	-123.8	-10.6	-171.7	-64.6	-85.2	0	0	0	113.6	H440 V441	H440-F444 AromaticContact CE1-CD2 3.73Å; H440-F444 AromaticContact CE1-CG 3.85Å; H440-F444 AromaticContact ND1-CD2 3.15Å; H440-F444 WeakPolarHBondContact ND1-CD2 3.43Å; H440-F444 AromaticContact ND1-CE2 3.83Å; H440-F444 AromaticContact ND1-CG 3.76Å; H440-F444 WeakPolarHBondContact O-CD2 3.21Å; H440-F444 PolarHBondContact O-N 3.13Å; V441-F444 PolarHBondContact O-N 3.27Å
445	H	74.6	Confident	67.4	Low	41 Å²	41	86.3 Å²	86.3	19%	0.19	42%	0.415	C	S	.	.			trans	-136.9	64.9	176	-56.3	-67	0	0	0	109.8	Y426 C427 H440 V441 E447 A449	Y426-H445 HydrophobicContact CD2-CB 4.31Å; C427-H445 PolarHBondContact SG-NE2 3.12Å; C427-H445 VanDerWaalsContact SG-NE2 3.4Å; H440-H445 AromaticContact NE2-CD2 3.88Å; H440-H445 AromaticContact NE2-NE2 3.68Å; V441-H445 HydrophobicContact CG1-CB 4.31Å; V441-H445 CarbonylContact O-C 3.57Å; V441-H445 VanDerWaalsContact O-C 3.29Å; V441-H445 WeakPolarHBondContact O-CA 3.36Å; V441-H445 PolarHBondContact O-N 3.01Å; H445-E447 PolarHBondContact O-N 3.21Å; H445-A449 PolarHBondContact O-N 2.81Å; H445-A449 VanDerWaalsContact O-N 3.08Å
446	P	63.4	Low	66.6	Low	94 Å²	94	82.6 Å²	82.6	61%	0.61	40%	0.399	S	S	*	.	H	α-helix	trans	-63.8	-38	-171.8	25.6	-34	0	0	0	113.2	A449	P446-A449 WeakPolarHBondContact O-CB 3.39Å; P446-A449 PolarHBondContact O-N 3.41Å
447	E	64.3	Low	65.5	Low	173 Å²	173	86.5 Å²	86.5	81%	0.808	41%	0.411	S	S	*	.	H	α-helix	trans	-62	-52.5	-179.3	-62.9	171.2	177.9	0	0	110.9	H445 A449	H445-E447 PolarHBondContact O-N 3.21Å; E447-A449 PolarHBondContact O-N 3.41Å
448	N	57.6	Low	63.9	Low	63 Å²	63	91.4 Å²	91.4	34%	0.337	44%	0.441	S	S	.	.	H	α-helix	trans	-77.1	-2.6	178	-60	-7.1	0	0	0	113.3	Y426 Q450 E451 F452	Y426-N448 HydrophobicContact CD1-CB 4.36Å; Y426-N448 VanDerWaalsContact CD1-ND2 3.29Å; Y426-N448 WeakPolarHBondContact CD1-ND2 3.31Å; Y426-N448 HydrophobicContact CD2-CB 4.36Å; Y426-N448 HydrophobicContact CE1-CB 3.84Å; Y426-N448 WeakPolarHBondContact CE1-ND2 3.48Å; Y426-N448 HydrophobicContact CE2-CB 3.85Å; N448-Q450 PolarHBondContact O-N 3.27Å; N448-E451 PolarHBondContact O-N 2.85Å; N448-F452 PolarHBondContact O-N 3.2Å
449	A	60.3	Low	63.1	Low	11 Å²	11	99.8 Å²	99.8	9%	0.091	47%	0.474	C	S	.	.	H	α-helix	trans	-65.8	-29.3	175.2	0	0	0	0	0	111.7	V441 K442 H445 P446 E447 F452 I453	V441-A449 HydrophobicContact CG1-CB 4.48Å; K442-A449 HydrophobicContact CG-CB 4.41Å; H445-A449 PolarHBondContact O-N 2.81Å; H445-A449 VanDerWaalsContact O-N 3.08Å; P446-A449 WeakPolarHBondContact O-CB 3.39Å; P446-A449 PolarHBondContact O-N 3.41Å; E447-A449 PolarHBondContact O-N 3.41Å; A449-F452 PolarHBondContact O-N 3.2Å; A449-I453 WeakPolarHBondContact O-CB 3.32Å; A449-I453 VanDerWaalsContact O-CD1 3.28Å; A449-I453 WeakPolarHBondContact O-CD1 3.38Å; A449-I453 WeakPolarHBondContact O-CG1 3.44Å; A449-I453 PolarHBondContact O-N 3.15Å
450	Q	58.3	Low	62	Low	146 Å²	146	96.6 Å²	96.6	68%	0.682	47%	0.471	S	S	*	.	H	α-helix	trans	-60.7	-48.7	176	-154.5	85.6	-45.6	0	0	110.6	N448 I453 S454	N448-Q450 PolarHBondContact O-N 3.27Å; Q450-I453 PolarHBondContact O-N 3.24Å; Q450-S454 PolarHBondContact O-N 2.94Å; Q450-S454 PolarHBondContact O-OG 3.16Å
451	E	57.7	Low	60.9	Low	116 Å²	116	103.9 Å²	103.9	54%	0.542	51%	0.505	S	S	.	.	H	α-helix	trans	-66.9	-44.5	176.3	-62.8	-162.4	129.5	0	0	112.7	N448 I453 S454 I455	N448-E451 PolarHBondContact O-N 2.85Å; E451-I453 PolarHBondContact O-N 2.83Å; E451-S454 CarbonylContact O-C 3.5Å; E451-S454 WeakPolarHBondContact O-CA 3.44Å; E451-S454 WeakPolarHBondContact O-CB 3.5Å; E451-S454 PolarHBondContact O-N 2.9Å; E451-I455 WeakPolarHBondContact O-CG1 3.41Å; E451-I455 PolarHBondContact O-N 3.33Å
452	F	59.3	Low	60.4	Low	30 Å²	30	107.1 Å²	107.1	13%	0.132	53%	0.528	C	S	.	.	H	α-helix	trans	-64.9	-22.4	178.4	-167.7	-98.5	0	0	0	112.7	L437 A438 V441 N448 A449	L437-F452 HydrophobicContact CD2-CZ 4.11Å; L437-F452 HydrophobicContact CG-CZ 4.08Å; A438-F452 HydrophobicContact CB-CE1 4.02Å; V441-F452 HydrophobicContact CB-CD1 4.32Å; V441-F452 HydrophobicContact CG1-CB 4.03Å; V441-F452 HydrophobicContact CG1-CD1 4.13Å; V441-F452 HydrophobicContact CG1-CG 4.05Å; V441-F452 HydrophobicContact CG2-CD1 4.49Å; V441-F452 HydrophobicContact CG2-CE1 4.45Å; N448-F452 PolarHBondContact O-N 3.2Å; A449-F452 PolarHBondContact O-N 3.2Å
453	I	59.3	Low	60.6	Low	53 Å²	53	105.7 Å²	105.7	27%	0.272	52%	0.519	S	S	.	.	H	α-helix	trans	-76.7	-44.1	167	-69.7	162.2	0	0	0	110.6	A449 Q450 E451 I455 K456 K457	A449-I453 WeakPolarHBondContact O-CB 3.32Å; A449-I453 VanDerWaalsContact O-CD1 3.28Å; A449-I453 WeakPolarHBondContact O-CD1 3.38Å; A449-I453 WeakPolarHBondContact O-CG1 3.44Å; A449-I453 PolarHBondContact O-N 3.15Å; Q450-I453 PolarHBondContact O-N 3.24Å; E451-I453 PolarHBondContact O-N 2.83Å; I453-I455 PolarHBondContact O-N 2.94Å; I453-K456 CarbonylContact O-C 3.5Å; I453-K456 WeakPolarHBondContact O-CA 3.31Å; I453-K456 WeakPolarHBondContact O-CB 3.49Å; I453-K456 PolarHBondContact O-N 3.16Å; I453-K457 HydrophobicContact CG2-CG 4.39Å; I453-K457 PolarHBondContact O-N 2.65Å
454	S	56.4	Low	60.8	Low	59 Å²	59	102 Å²	102	41%	0.413	51%	0.508	S	S	.	.	H	α-helix	trans	-61.2	-40.6	177.5	-65.6	0	0	0	0	113.2	Q450 E451 K456 K457 T458	Q450-S454 PolarHBondContact O-N 2.94Å; Q450-S454 PolarHBondContact O-OG 3.16Å; E451-S454 CarbonylContact O-C 3.5Å; E451-S454 WeakPolarHBondContact O-CA 3.44Å; E451-S454 WeakPolarHBondContact O-CB 3.5Å; E451-S454 PolarHBondContact O-N 2.9Å; S454-K456 PolarHBondContact O-N 2.94Å; S454-K456 VanDerWaalsContact O-N 3.13Å; S454-K457 PolarHBondContact O-N 3.17Å; S454-K457 VanDerWaalsContact O-N 3.1Å; S454-T458 PolarHBondContact O-N 3.39Å
455	I	58.2	Low	61.4	Low	117 Å²	117	95.3 Å²	95.3	60%	0.6	48%	0.479	S	S	*	.	H	α-helix	trans	-61.7	-19.1	172.6	-66.6	167	0	0	0	112.1	E451 I453 T458	E451-I455 WeakPolarHBondContact O-CG1 3.41Å; E451-I455 PolarHBondContact O-N 3.33Å; I453-I455 PolarHBondContact O-N 2.94Å; I455-T458 PolarHBondContact O-OG1 2.83Å
456	K	54.6	Low	61.4	Low	91 Å²	91	98.5 Å²	98.5	40%	0.396	50%	0.498	S	S	.	.	H	α-helix	trans	-93.6	-32.9	171.8	-69.8	-176.8	176.1	-168.7	0	113.9	A438 I453 S454 T458 K459	A438-K456 VanDerWaalsContact CB-NZ 3.34Å; I453-K456 CarbonylContact O-C 3.5Å; I453-K456 WeakPolarHBondContact O-CA 3.31Å; I453-K456 WeakPolarHBondContact O-CB 3.49Å; I453-K456 PolarHBondContact O-N 3.16Å; S454-K456 PolarHBondContact O-N 2.94Å; S454-K456 VanDerWaalsContact O-N 3.13Å; K456-T458 PolarHBondContact O-N 3.48Å; K456-K459 PolarHBondContact O-N 3Å; K456-K459 VanDerWaalsContact O-N 3.12Å
457	K	51.5	Low	62	Low	145 Å²	145	99.6 Å²	99.6	63%	0.63	50%	0.497	S	S	*	.	H	α-helix	trans	-55.7	-33.6	177.6	-77	179.5	173.1	177.5	0	112	I453 S454 K459	I453-K457 HydrophobicContact CG2-CG 4.39Å; I453-K457 PolarHBondContact O-N 2.65Å; S454-K457 PolarHBondContact O-N 3.17Å; S454-K457 VanDerWaalsContact O-N 3.1Å; K457-K459 PolarHBondContact O-N 3.38Å; K457-K459 VanDerWaalsContact O-N 3.09Å
458	T	46.2	Very low	62.7	Low	114 Å²	114	93.7 Å²	93.7	70%	0.699	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-2.4	179	56.7	0	0	0	0	115.5	S454 I455 K456	S454-T458 PolarHBondContact O-N 3.39Å; I455-T458 PolarHBondContact O-OG1 2.83Å; K456-T458 PolarHBondContact O-N 3.48Å
459	K	54.5	Low	63.5	Low	194 Å²	194	99.3 Å²	99.3	84%	0.843	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-135.4	12.9	178.1	-68.5	-161.4	174	-169.9	0	116.5	K456 K457	K456-K459 PolarHBondContact O-N 3Å; K456-K459 VanDerWaalsContact O-N 3.12Å; K457-K459 PolarHBondContact O-N 3.38Å; K457-K459 VanDerWaalsContact O-N 3.09Å
460	S	52.9	Low	64.2	Low	84 Å²	84	104.7 Å²	104.7	59%	0.587	52%	0.517	S	S	*	.			trans	-164.2	115.7	162.6	58.6	0	0	0	0	110.6	S462	S460-S462 PolarHBondContact O-N 2.96Å
461	E	55.7	Low	65.2	Low	176 Å²	176	101.7 Å²	101.7	82%	0.822	51%	0.512	S	S	*	.			trans	-67.8	112	167.7	-65.8	-176.9	128.3	0	0	109.1	W463	E461-W463 PolarHBondContact O-N 2.34Å
462	S	67.3	Low	66.3	Low	68 Å²	68	98.4 Å²	98.4	48%	0.476	50%	0.496	S	S	.	.			trans	-82.2	114.1	177.9	59	0	0	0	0	109.7	S460 K464 F472	S460-S462 PolarHBondContact O-N 2.96Å; S462-K464 PolarHBondContact O-N 2.74Å; S462-F472 CarbonylContact C-O 3.25Å; S462-F472 WeakPolarHBondContact CA-O 2.9Å
463	W	76.9	Confident	67.2	Low	101 Å²	101	102.9 Å²	102.9	38%	0.383	53%	0.526	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.7	108.7	179.1	-67.1	90.2	0	0	0	110.4	E461 F472 R475 L478	E461-W463 PolarHBondContact O-N 2.34Å; W463-F472 PolarHBondContact N-O 3.42Å; W463-F472 PolarHBondContact O-N 3.23Å; W463-R475 HydrophobicContact CD2-CB 3.8Å; W463-R475 HydrophobicContact CD2-CG 4.19Å; W463-R475 HydrophobicContact CE3-CB 4.21Å; W463-R475 HydrophobicContact CE3-CG 4.07Å; W463-R475 HydrophobicContact CG-CB 4.15Å; W463-R475 HydrophobicContact CZ2-CB 4.25Å; W463-R475 HydrophobicContact CZ3-CG 4.28Å; W463-L478 HydrophobicContact CB-CB 3.97Å; W463-L478 HydrophobicContact CB-CD2 3.79Å; W463-L478 HydrophobicContact CB-CG 4.47Å; W463-L478 HydrophobicContact CE3-CD2 4.32Å
464	K	78.8	Confident	68.1	Low	126 Å²	126	108.1 Å²	108.1	55%	0.548	54%	0.543	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	143.5	-176.6	54	161.9	-178.5	143.8	0	111.6	S462 D466 L478	S462-K464 PolarHBondContact O-N 2.74Å; K464-D466 VanDerWaalsContact CE-OD1 3.26Å; K464-D466 WeakPolarHBondContact CE-OD1 3.5Å; K464-D466 IonicContact NZ-OD1 2.72Å; K464-D466 PolarHBondContact NZ-OD1 3.44Å; K464-L478 WeakPolarHBondContact O-CD1 3.06Å; K464-L478 VanDerWaalsContact O-CD2 3.24Å; K464-L478 WeakPolarHBondContact O-CD2 3.36Å
465	C	81.4	Confident	69.1	Low	0 Å²	0	111.9 Å²	111.9	0%	0	55%	0.548	C	S	.	.			trans	-80.5	118.9	163.8	173.5	0	0	0	0	109.3	I467 C468 K469 K470 F472 L478 M482 H485	C465-I467 VanDerWaalsContact C-N 3.29Å; C465-I467 PolarHBondContact O-N 3.26Å; C465-C468 PolarHBondContact SG-N 2.88Å; C465-C468 VanDerWaalsContact SG-SG 3.62Å; C465-K469 WeakPolarHBondContact O-CA 3.49Å; C465-K469 PolarHBondContact O-N 3.18Å; C465-K470 HydrophobicContact CB-CB 4.49Å; C465-K470 PolarHBondContact N-O 3.47Å; C465-F472 HydrophobicContact CB-CE2 4.41Å; C465-L478 HydrophobicContact CB-CD1 3.83Å; C465-M482 HydrophobicContact CB-CE 3.7Å; C465-M482 WeakPolarHBondContact SG-CE 3.42Å; C465-H485 PolarHBondContact SG-NE2 3.23Å; C465-H485 VanDerWaalsContact SG-NE2 3.45Å
466	D	75.7	Confident	70	Confident	108 Å²	108	110.3 Å²	110.3	58%	0.578	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-24.3	-179.8	-64.7	-66.2	0	0	0	113	K464	K464-D466 VanDerWaalsContact CE-OD1 3.26Å; K464-D466 WeakPolarHBondContact CE-OD1 3.5Å; K464-D466 IonicContact NZ-OD1 2.72Å; K464-D466 PolarHBondContact NZ-OD1 3.44Å
467	I	75.4	Confident	71.1	Confident	117 Å²	117	110.1 Å²	110.1	60%	0.6	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	-50.5	179.3	-58.4	172.6	0	0	0	112.2	C465 H485	C465-I467 VanDerWaalsContact C-N 3.29Å; C465-I467 PolarHBondContact O-N 3.26Å; I467-H485 HydrophobicContact CD1-CB 3.57Å
468	C	78.1	Confident	72.5	Confident	48 Å²	48	104.2 Å²	104.2	32%	0.324	52%	0.521	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.8	11.5	-176.8	83.4	0	0	0	0	115.5	C465 K470 H481 H485	C465-C468 PolarHBondContact SG-N 2.88Å; C465-C468 VanDerWaalsContact SG-SG 3.62Å; C468-K470 PolarHBondContact O-N 2.88Å; C468-H481 PolarHBondContact SG-NE2 3.17Å; C468-H485 VanDerWaalsContact SG-CE1 3.55Å
469	K	75.5	Confident	73.8	Confident	182 Å²	182	103.9 Å²	103.9	79%	0.791	51%	0.511	S	S	*	.			trans	60.9	10.3	168.9	-58.5	173.3	-175.6	173.1	0	115.8	C465	C465-K469 WeakPolarHBondContact O-CA 3.49Å; C465-K469 PolarHBondContact O-N 3.18Å
470	K	74.8	Confident	74.5	Confident	123 Å²	123	98.8 Å²	98.8	54%	0.535	49%	0.49	S	S	.	.			trans	-66.7	135.4	171.7	-69.6	177.4	-171.9	170.4	0	111	C465 C468 F472	C465-K470 HydrophobicContact CB-CB 4.49Å; C465-K470 PolarHBondContact N-O 3.47Å; C468-K470 PolarHBondContact O-N 2.88Å; K470-F472 HydrophobicContact CB-CE2 3.64Å; K470-F472 HydrophobicContact CB-CZ 3.97Å; K470-F472 WeakPolarHBondContact O-CE2 3.41Å
471	S	79.6	Confident	75.6	Confident	84 Å²	84	95.6 Å²	95.6	59%	0.587	47%	0.466	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.8	125.8	-178.5	61.7	0	0	0	0	112.1
472	F	79.6	Confident	76.3	Confident	46 Å²	46	90.1 Å²	90.1	20%	0.202	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	153.6	-179	-61.9	-92.4	0	0	0	111.4	S462 W463 C465 K470 H477 L478 H481	S462-F472 CarbonylContact C-O 3.25Å; S462-F472 WeakPolarHBondContact CA-O 2.9Å; W463-F472 PolarHBondContact N-O 3.42Å; W463-F472 PolarHBondContact O-N 3.23Å; C465-F472 HydrophobicContact CB-CE2 4.41Å; K470-F472 HydrophobicContact CB-CE2 3.64Å; K470-F472 HydrophobicContact CB-CZ 3.97Å; K470-F472 WeakPolarHBondContact O-CE2 3.41Å; F472-H477 HydrophobicContact CB-CB 4.29Å; F472-H477 HydrophobicContact CD1-CB 3.93Å; F472-H477 WeakPolarHBondContact CD1-O 3.5Å; F472-H477 HydrophobicContact CG-CB 4.44Å; F472-L478 HydrophobicContact CB-CB 4.2Å; F472-L478 HydrophobicContact CD2-CB 4.1Å; F472-L478 HydrophobicContact CD2-CD1 3.81Å; F472-L478 HydrophobicContact CE2-CD1 4.15Å; F472-L478 HydrophobicContact CG-CB 4.27Å; F472-H481 HydrophobicContact CE1-CB 3.95Å; F472-H481 HydrophobicContact CE2-CB 3.99Å; F472-H481 AromaticContact CE2-CD2 3.26Å; F472-H481 WeakPolarHBondContact CE2-CD2 3.49Å; F472-H481 AromaticContact CE2-CG 3.69Å; F472-H481 HydrophobicContact CZ-CB 3.54Å; F472-H481 AromaticContact CZ-CD2 3.3Å; F472-H481 WeakPolarHBondContact CZ-CD2 3.37Å; F472-H481 AromaticContact CZ-CG 3.26Å; F472-H481 AromaticContact CZ-ND1 3.97Å
473	T	78.6	Confident	76.6	Confident	125 Å²	125	88.5 Å²	88.5	77%	0.767	43%	0.427	S	S	*	.	S	Bend	trans	-87.2	-10.4	-177.3	49.7	0	0	0	0	114.1
474	R	78.4	Confident	76.1	Confident	163 Å²	163	87.8 Å²	87.8	62%	0.615	43%	0.43	S	S	*	.	S	Bend	trans	-147.7	146.1	-178.7	-67.1	-177.9	171	172.8	-6.8	109.1	H477 L478	R474-H477 PolarHBondContact O-N 3.1Å; R474-L478 PolarHBondContact O-N 2.97Å
475	R	78	Confident	75.6	Confident	138 Å²	138	84.9 Å²	84.9	52%	0.521	42%	0.418	S	S	.	.	H	α-helix	trans	-58.4	-45.4	178.2	-176	177.7	172.5	124.5	-3.6	113.3	W463 H477 L478 E479	W463-R475 HydrophobicContact CD2-CB 3.8Å; W463-R475 HydrophobicContact CD2-CG 4.19Å; W463-R475 HydrophobicContact CE3-CB 4.21Å; W463-R475 HydrophobicContact CE3-CG 4.07Å; W463-R475 HydrophobicContact CG-CB 4.15Å; W463-R475 HydrophobicContact CZ2-CB 4.25Å; W463-R475 HydrophobicContact CZ3-CG 4.28Å; R475-H477 PolarHBondContact O-N 2.92Å; R475-H477 VanDerWaalsContact O-N 3.16Å; R475-L478 WeakPolarHBondContact O-CA 3.18Å; R475-L478 WeakPolarHBondContact O-CB 3.31Å; R475-L478 PolarHBondContact O-N 2.9Å; R475-E479 WeakPolarHBondContact O-CB 3.43Å; R475-E479 PolarHBondContact O-N 3.44Å
476	P	77.6	Confident	74.9	Confident	83 Å²	83	86.6 Å²	86.6	54%	0.539	43%	0.43	S	S	.	.	H	α-helix	trans	-60.9	-28.3	179	-27.8	37.4	0	0	0	114.7	E479 E480	P476-E479 PolarHBondContact O-N 3.3Å; P476-E480 PolarHBondContact O-N 2.8Å
477	H	77.3	Confident	74.1	Confident	87 Å²	87	89.9 Å²	89.9	40%	0.403	44%	0.442	S	S	.	.	H	α-helix	trans	-77.2	-28.4	175.1	-62	-178.9	0	0	0	112.4	F472 R474 R475 E479 H481	F472-H477 HydrophobicContact CB-CB 4.29Å; F472-H477 HydrophobicContact CD1-CB 3.93Å; F472-H477 WeakPolarHBondContact CD1-O 3.5Å; F472-H477 HydrophobicContact CG-CB 4.44Å; R474-H477 PolarHBondContact O-N 3.1Å; R475-H477 PolarHBondContact O-N 2.92Å; R475-H477 VanDerWaalsContact O-N 3.16Å; H477-E479 VanDerWaalsContact C-N 3.35Å; H477-H481 VanDerWaalsContact O-CB 3.25Å; H477-H481 WeakPolarHBondContact O-CB 3.19Å; H477-H481 PolarHBondContact O-N 3.16Å
478	L	80.8	Confident	73.3	Confident	22 Å²	22	89.8 Å²	89.8	12%	0.115	44%	0.443	C	S	.	.	H	α-helix	trans	-68.1	-41.6	166.7	172.1	65.2	0	0	0	109.6	W463 K464 C465 F472 R474 R475 H481 M482	W463-L478 HydrophobicContact CB-CB 3.97Å; W463-L478 HydrophobicContact CB-CD2 3.79Å; W463-L478 HydrophobicContact CB-CG 4.47Å; W463-L478 HydrophobicContact CE3-CD2 4.32Å; K464-L478 WeakPolarHBondContact O-CD1 3.06Å; K464-L478 VanDerWaalsContact O-CD2 3.24Å; K464-L478 WeakPolarHBondContact O-CD2 3.36Å; C465-L478 HydrophobicContact CB-CD1 3.83Å; F472-L478 HydrophobicContact CB-CB 4.2Å; F472-L478 HydrophobicContact CD2-CB 4.1Å; F472-L478 HydrophobicContact CD2-CD1 3.81Å; F472-L478 HydrophobicContact CE2-CD1 4.15Å; F472-L478 HydrophobicContact CG-CB 4.27Å; R474-L478 PolarHBondContact O-N 2.97Å; R475-L478 WeakPolarHBondContact O-CA 3.18Å; R475-L478 WeakPolarHBondContact O-CB 3.31Å; R475-L478 PolarHBondContact O-N 2.9Å; L478-H481 CarbonylContact O-C 3.57Å; L478-H481 WeakPolarHBondContact O-CA 3.32Å; L478-H481 WeakPolarHBondContact O-CB 3.47Å; L478-H481 PolarHBondContact O-N 3.15Å; L478-H481 VanDerWaalsContact O-N 3.11Å; L478-M482 HydrophobicContact CD1-CE 3.42Å; L478-M482 VanDerWaalsContact CD1-CE 3.42Å; L478-M482 HydrophobicContact CD1-SD 4.23Å; L478-M482 HydrophobicContact CG-CE 4.27Å; L478-M482 WeakPolarHBondContact O-CE 3.44Å; L478-M482 WeakPolarHBondContact O-CG 3.46Å; L478-M482 PolarHBondContact O-N 2.95Å
479	E	72.1	Confident	72.7	Confident	106 Å²	106	92.8 Å²	92.8	50%	0.495	45%	0.451	S	S	.	.	H	α-helix	trans	-65.6	-49.7	-176.8	-159	152.5	-158.2	0	0	112	R475 P476 H477 H481 M482 I483	R475-E479 WeakPolarHBondContact O-CB 3.43Å; R475-E479 PolarHBondContact O-N 3.44Å; P476-E479 PolarHBondContact O-N 3.3Å; H477-E479 VanDerWaalsContact C-N 3.35Å; E479-H481 PolarHBondContact O-N 3.11Å; E479-M482 WeakPolarHBondContact O-CB 3.38Å; E479-M482 PolarHBondContact O-N 2.81Å; E479-I483 PolarHBondContact O-N 3.45Å
480	E	69.8	Low	72.3	Confident	87 Å²	87	87.9 Å²	87.9	41%	0.407	44%	0.437	S	S	.	.	H	α-helix	trans	-57.5	-35.3	169.2	-171.1	-173.9	-173	0	0	111.3	P476 M482 I483 S502	P476-E480 PolarHBondContact O-N 2.8Å; E480-M482 VanDerWaalsContact C-N 3.34Å; E480-M482 PolarHBondContact O-N 3.16Å; E480-I483 WeakPolarHBondContact O-CB 3.43Å; E480-I483 PolarHBondContact O-N 2.86Å; E480-S502 PolarHBondContact OE1-OG 2.91Å
481	H	75.5	Confident	72	Confident	17 Å²	17	84.5 Å²	84.5	8%	0.079	42%	0.423	C	S	.	.	H	α-helix	trans	-70.8	-25.1	175.6	179.8	54.9	0	0	0	113.7	C468 F472 H477 L478 E479 I483 L484 H485	C468-H481 PolarHBondContact SG-NE2 3.17Å; F472-H481 HydrophobicContact CE1-CB 3.95Å; F472-H481 HydrophobicContact CE2-CB 3.99Å; F472-H481 AromaticContact CE2-CD2 3.26Å; F472-H481 WeakPolarHBondContact CE2-CD2 3.49Å; F472-H481 AromaticContact CE2-CG 3.69Å; F472-H481 HydrophobicContact CZ-CB 3.54Å; F472-H481 AromaticContact CZ-CD2 3.3Å; F472-H481 WeakPolarHBondContact CZ-CD2 3.37Å; F472-H481 AromaticContact CZ-CG 3.26Å; F472-H481 AromaticContact CZ-ND1 3.97Å; H477-H481 VanDerWaalsContact O-CB 3.25Å; H477-H481 WeakPolarHBondContact O-CB 3.19Å; H477-H481 PolarHBondContact O-N 3.16Å; L478-H481 CarbonylContact O-C 3.57Å; L478-H481 WeakPolarHBondContact O-CA 3.32Å; L478-H481 WeakPolarHBondContact O-CB 3.47Å; L478-H481 PolarHBondContact O-N 3.15Å; L478-H481 VanDerWaalsContact O-N 3.11Å; E479-H481 PolarHBondContact O-N 3.11Å; H481-I483 VanDerWaalsContact C-N 3.29Å; H481-L484 WeakPolarHBondContact O-CB 3.41Å; H481-L484 PolarHBondContact O-N 3.14Å; H481-H485 AromaticContact CD2-NE2 3.83Å; H481-H485 AromaticContact CE1-NE2 3.24Å; H481-H485 PolarHBondContact CE1-NE2 3.38Å; H481-H485 AromaticContact NE2-CD2 3.93Å; H481-H485 AromaticContact NE2-NE2 3.02Å; H481-H485 PolarHBondContact NE2-NE2 2.89Å; H481-H485 PolarHBondContact O-CD2 2.99Å; H481-H485 VanDerWaalsContact O-CD2 3.27Å
482	M	71.4	Confident	71.6	Confident	61 Å²	61	84.9 Å²	84.9	30%	0.3	41%	0.414	S	S	.	.	H	α-helix	trans	-67.4	-32.4	172.4	-64.1	-52.2	82.4	0	0	111.3	C465 L478 E479 E480 L484 H485 S486	C465-M482 HydrophobicContact CB-CE 3.7Å; C465-M482 WeakPolarHBondContact SG-CE 3.42Å; L478-M482 HydrophobicContact CD1-CE 3.42Å; L478-M482 VanDerWaalsContact CD1-CE 3.42Å; L478-M482 HydrophobicContact CD1-SD 4.23Å; L478-M482 HydrophobicContact CG-CE 4.27Å; L478-M482 WeakPolarHBondContact O-CE 3.44Å; L478-M482 WeakPolarHBondContact O-CG 3.46Å; L478-M482 PolarHBondContact O-N 2.95Å; E479-M482 WeakPolarHBondContact O-CB 3.38Å; E479-M482 PolarHBondContact O-N 2.81Å; E480-M482 VanDerWaalsContact C-N 3.34Å; E480-M482 PolarHBondContact O-N 3.16Å; M482-L484 PolarHBondContact O-N 2.85Å; M482-H485 PolarHBondContact O-N 2.83Å; M482-S486 PolarHBondContact O-N 2.98Å; M482-S486 PolarHBondContact O-OG 2.81Å
483	I	73.4	Confident	71.4	Confident	34 Å²	34	83 Å²	83	17%	0.174	41%	0.406	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-21.1	176.2	-50.2	175.7	0	0	0	112.1	E479 E480 H481 S486 P490 F491 K501	E479-I483 PolarHBondContact O-N 3.45Å; E480-I483 WeakPolarHBondContact O-CB 3.43Å; E480-I483 PolarHBondContact O-N 2.86Å; H481-I483 VanDerWaalsContact C-N 3.29Å; I483-S486 VanDerWaalsContact CA-OG 3.29Å; I483-S486 WeakPolarHBondContact CA-OG 3.35Å; I483-S486 PolarHBondContact O-OG 2.93Å; I483-P490 HydrophobicContact CD1-CG 4.17Å; I483-P490 VanDerWaalsContact CG2-CD 3.44Å; I483-P490 HydrophobicContact CG2-CG 3.56Å; I483-F491 HydrophobicContact CD1-CE2 3.81Å; I483-F491 HydrophobicContact CD1-CZ 3.96Å; I483-F491 HydrophobicContact CG2-CE2 4.27Å; I483-K501 WeakPolarHBondContact CG2-O 3.45Å
484	L	65.5	Low	71.2	Confident	87 Å²	87	81.7 Å²	81.7	46%	0.455	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-27.4	174.5	-57.2	-174.5	0	0	0	113.3	H481 M482 K501	H481-L484 WeakPolarHBondContact O-CB 3.41Å; H481-L484 PolarHBondContact O-N 3.14Å; M482-L484 PolarHBondContact O-N 2.85Å; L484-K501 HydrophobicContact CD2-CB 4.06Å; L484-K501 PolarHBondContact O-NZ 3.3Å; L484-K501 VanDerWaalsContact O-NZ 3.13Å
485	H	69.3	Low	70.7	Confident	64 Å²	64	80.7 Å²	80.7	30%	0.296	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.5	-32.9	-178.9	-58	-77.2	0	0	0	112.9	C465 I467 C468 H481 M482	C465-H485 PolarHBondContact SG-NE2 3.23Å; C465-H485 VanDerWaalsContact SG-NE2 3.45Å; I467-H485 HydrophobicContact CD1-CB 3.57Å; C468-H485 VanDerWaalsContact SG-CE1 3.55Å; H481-H485 AromaticContact CD2-NE2 3.83Å; H481-H485 AromaticContact CE1-NE2 3.24Å; H481-H485 PolarHBondContact CE1-NE2 3.38Å; H481-H485 AromaticContact NE2-CD2 3.93Å; H481-H485 AromaticContact NE2-NE2 3.02Å; H481-H485 PolarHBondContact NE2-NE2 2.89Å; H481-H485 PolarHBondContact O-CD2 2.99Å; H481-H485 VanDerWaalsContact O-CD2 3.27Å; M482-H485 PolarHBondContact O-N 2.83Å
486	S	66.4	Low	70.6	Confident	36 Å²	36	75.7 Å²	75.7	25%	0.252	38%	0.381	S	S	.	.	S	Bend	trans	-59.3	149.4	164.7	57.1	0	0	0	0	110.2	M482 I483 D488 K501	M482-S486 PolarHBondContact O-N 2.98Å; M482-S486 PolarHBondContact O-OG 2.81Å; I483-S486 VanDerWaalsContact CA-OG 3.29Å; I483-S486 WeakPolarHBondContact CA-OG 3.35Å; I483-S486 PolarHBondContact O-OG 2.93Å; S486-D488 WeakPolarHBondContact CB-OD2 3.03Å; S486-K501 PolarHBondContact O-NZ 2.97Å
487	Q	58.8	Low	70.1	Confident	177 Å²	177	78.7 Å²	78.7	83%	0.827	39%	0.388	S	S	*	.	S	Bend	trans	-76.7	-20.7	167	-62.9	-163	12.6	0	0	111.3	K489	Q487-K489 PolarHBondContact O-N 3.05Å
488	D	59.4	Low	69.7	Low	115 Å²	115	79.3 Å²	79.3	62%	0.615	39%	0.391	S	S	*	.			trans	-51.6	129	173.3	-51.4	-57	0	0	0	111.6	S486 P490	S486-D488 WeakPolarHBondContact CB-OD2 3.03Å; D488-P490 VanDerWaalsContact C-CD 3.4Å; D488-P490 VanDerWaalsContact O-CD 3.24Å; D488-P490 WeakPolarHBondContact O-CD 3.35Å
489	K	64.1	Low	69.4	Low	112 Å²	112	82.2 Å²	82.2	49%	0.487	40%	0.404	S	S	.	.			trans	-115.5	69.2	178.7	-69.3	157.5	161.1	-171.3	0	108.5	Q487 F491 H499 F500 K501	Q487-K489 PolarHBondContact O-N 3.05Å; K489-F491 PolarHBondContact O-N 3.49Å; K489-H499 HydrophobicContact CB-CB 3.53Å; K489-H499 HydrophobicContact CD-CB 3.98Å; K489-H499 VanDerWaalsContact CD-O 3.3Å; K489-H499 WeakPolarHBondContact CD-O 3.38Å; K489-H499 HydrophobicContact CG-CB 4.39Å; K489-H499 WeakPolarHBondContact O-CB 3.44Å; K489-F500 CarbonylContact C-O 3.57Å; K489-F500 WeakPolarHBondContact CA-O 3.35Å; K489-K501 HydrophobicContact CG-CG 4.06Å
490	P	68.4	Low	69.5	Low	79 Å²	79	78.8 Å²	78.8	51%	0.513	39%	0.387	S	S	.	.			trans	-65.2	-11.1	-167	26.4	-36	0	0	0	114.4	I483 D488 K492	I483-P490 HydrophobicContact CD1-CG 4.17Å; I483-P490 VanDerWaalsContact CG2-CD 3.44Å; I483-P490 HydrophobicContact CG2-CG 3.56Å; D488-P490 VanDerWaalsContact C-CD 3.4Å; D488-P490 VanDerWaalsContact O-CD 3.24Å; D488-P490 WeakPolarHBondContact O-CD 3.35Å; P490-K492 PolarHBondContact O-N 3.41Å
491	F	68.1	Low	69.5	Low	51 Å²	51	78.3 Å²	78.3	22%	0.224	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	75.3	-179.8	-53.2	-72.8	0	0	0	111.2	I483 K489 F500 S502 R503 R506	I483-F491 HydrophobicContact CD1-CE2 3.81Å; I483-F491 HydrophobicContact CD1-CZ 3.96Å; I483-F491 HydrophobicContact CG2-CE2 4.27Å; K489-F491 PolarHBondContact O-N 3.49Å; F491-F500 HydrophobicContact CB-CB 4.35Å; F491-F500 WeakPolarHBondContact CD2-O 3.46Å; F491-F500 PolarHBondContact N-O 3.3Å; F491-F500 WeakPolarHBondContact O-CD2 3.33Å; F491-F500 PolarHBondContact O-N 3.12Å; F491-S502 VanDerWaalsContact CD2-CA 3.47Å; F491-R503 HydrophobicContact CD1-CB 4.09Å; F491-R503 HydrophobicContact CE1-CB 3.94Å; F491-R503 HydrophobicContact CZ-CB 4.22Å; F491-R506 HydrophobicContact CB-CB 4.14Å
492	K	71.9	Confident	69.4	Low	93 Å²	93	78.4 Å²	78.4	40%	0.404	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.4	138.7	167	-168.7	-178.4	-179.2	177.7	0	110.4	P490 E497 R506	P490-K492 PolarHBondContact O-N 3.41Å; K492-E497 WeakPolarHBondContact CE-OE1 3.41Å; K492-E497 IonicContact NZ-OE1 2.67Å; K492-E497 PolarHBondContact NZ-OE1 3.48Å; K492-R506 WeakPolarHBondContact O-CD 3.43Å
493	C	75.3	Confident	69.4	Low	7 Å²	7	83.1 Å²	83.1	5%	0.047	40%	0.401	C	S	.	.			trans	-66.7	154.7	171.8	-156.3	0	0	0	0	112.2	C496 E498 F500 R506	C493-C496 WeakPolarHBondContact CB-O 3.43Å; C493-C496 VanDerWaalsContact CB-SG 3.52Å; C493-E498 PolarHBondContact N-O 3.06Å; C493-F500 HydrophobicContact CB-CE2 4.25Å; C493-R506 HydrophobicContact CB-CG 4.45Å
494	T	73.6	Confident	69.4	Low	96 Å²	96	88.5 Å²	88.5	59%	0.589	42%	0.424	S	S	*	.	S	Bend	trans	-87	-9.6	176.9	48.4	0	0	0	0	113.1
495	Y	67.9	Low	69.8	Low	142 Å²	142	86.4 Å²	86.4	56%	0.557	42%	0.419	S	S	*	.	S	Bend	trans	-126.8	-2.7	-175.5	-59.8	-88.8	0	0	0	113.5	Q510 H514	Y495-Q510 HydrophobicContact CD2-CG 4.01Å; Y495-Q510 HydrophobicContact CE2-CG 4.03Å; Y495-H514 WeakPolarHBondContact CB-ND1 3.29Å; Y495-H514 HydrophobicContact CD2-CB 4.15Å; Y495-H514 HydrophobicContact CG-CB 4.01Å; Y495-H514 PolarHBondContact O-CE1 2.97Å
496	C	76.2	Confident	70.3	Confident	34 Å²	34	85.4 Å²	85.4	23%	0.23	41%	0.413	C	S	.	.	S	Bend	trans	-154.1	172.1	171.6	72.7	0	0	0	0	110.3	C493 E498 H509 H514	C493-C496 WeakPolarHBondContact CB-O 3.43Å; C493-C496 VanDerWaalsContact CB-SG 3.52Å; C496-E498 VanDerWaalsContact C-N 3.27Å; C496-E498 PolarHBondContact O-N 3.37Å; C496-E498 PolarHBondContact SG-N 3.46Å; C496-H509 PolarHBondContact SG-NE2 3.01Å; C496-H514 PolarHBondContact SG-NE2 3.33Å
497	E	66.8	Low	70.6	Confident	145 Å²	145	87.3 Å²	87.3	68%	0.678	42%	0.419	S	S	*	.	S	Bend	trans	-87.5	7.9	-178.6	-54.2	-124.6	100	0	0	113.3	K492 H499	K492-E497 WeakPolarHBondContact CE-OE1 3.41Å; K492-E497 IonicContact NZ-OE1 2.67Å; K492-E497 PolarHBondContact NZ-OE1 3.48Å; E497-H499 PolarHBondContact O-CE1 3.2Å; E497-H499 PolarHBondContact O-N 3.41Å; E497-H499 PolarHBondContact O-ND1 2.7Å
498	E	68.8	Low	71.3	Confident	100 Å²	100	81.7 Å²	81.7	47%	0.467	39%	0.392	S	S	.	.			trans	-70.4	133.1	174.7	-64.1	-156.1	155	0	0	111.6	C493 C496 F500 H509	C493-E498 PolarHBondContact N-O 3.06Å; C496-E498 VanDerWaalsContact C-N 3.27Å; C496-E498 PolarHBondContact O-N 3.37Å; C496-E498 PolarHBondContact SG-N 3.46Å; E498-F500 HydrophobicContact CB-CE2 3.6Å; E498-F500 HydrophobicContact CB-CZ 3.62Å; E498-F500 WeakPolarHBondContact O-CE2 3.43Å; E498-F500 WeakPolarHBondContact OE2-CZ 3.49Å; E498-H509 IonicContact OE1-CE1 2.74Å; E498-H509 IonicContact OE2-CE1 3.87Å; E498-H509 PolarHBondContact OE2-CE1 3.47Å; E498-H509 IonicContact OE2-ND1 2.79Å; E498-H509 PolarHBondContact OE2-ND1 2.82Å
499	H	75.4	Confident	72	Confident	84 Å²	84	77.4 Å²	77.4	39%	0.389	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	130.5	-177.8	-70.8	75.7	0	0	0	110.1	K489 E497	K489-H499 HydrophobicContact CB-CB 3.53Å; K489-H499 HydrophobicContact CD-CB 3.98Å; K489-H499 VanDerWaalsContact CD-O 3.3Å; K489-H499 WeakPolarHBondContact CD-O 3.38Å; K489-H499 HydrophobicContact CG-CB 4.39Å; K489-H499 WeakPolarHBondContact O-CB 3.44Å; E497-H499 PolarHBondContact O-CE1 3.2Å; E497-H499 PolarHBondContact O-N 3.41Å; E497-H499 PolarHBondContact O-ND1 2.7Å
500	F	74	Confident	72.4	Confident	33 Å²	33	73.5 Å²	73.5	15%	0.145	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	150.8	-172.2	-61.8	-87.2	0	0	0	113.4	K489 F491 C493 E498 S502 A505 R506 H509	K489-F500 CarbonylContact C-O 3.57Å; K489-F500 WeakPolarHBondContact CA-O 3.35Å; F491-F500 HydrophobicContact CB-CB 4.35Å; F491-F500 WeakPolarHBondContact CD2-O 3.46Å; F491-F500 PolarHBondContact N-O 3.3Å; F491-F500 WeakPolarHBondContact O-CD2 3.33Å; F491-F500 PolarHBondContact O-N 3.12Å; C493-F500 HydrophobicContact CB-CE2 4.25Å; E498-F500 HydrophobicContact CB-CE2 3.6Å; E498-F500 HydrophobicContact CB-CZ 3.62Å; E498-F500 WeakPolarHBondContact O-CE2 3.43Å; E498-F500 WeakPolarHBondContact OE2-CZ 3.49Å; F500-S502 VanDerWaalsContact C-N 3.35Å; F500-A505 HydrophobicContact CB-CB 4.24Å; F500-A505 HydrophobicContact CD1-CB 4.14Å; F500-R506 HydrophobicContact CB-CB 4.04Å; F500-R506 HydrophobicContact CD2-CB 3.81Å; F500-R506 HydrophobicContact CD2-CG 3.89Å; F500-R506 HydrophobicContact CE2-CG 4.47Å; F500-R506 HydrophobicContact CG-CB 4.05Å; F500-H509 HydrophobicContact CE1-CB 3.8Å; F500-H509 HydrophobicContact CE2-CB 3.98Å; F500-H509 AromaticContact CE2-CG 3.85Å; F500-H509 HydrophobicContact CZ-CB 3.44Å; F500-H509 VanDerWaalsContact CZ-CB 3.44Å; F500-H509 AromaticContact CZ-CD2 3.9Å; F500-H509 AromaticContact CZ-CG 3.27Å; F500-H509 AromaticContact CZ-ND1 3.44Å; F500-H509 WeakPolarHBondContact CZ-ND1 3.5Å
501	K	68.3	Low	72.5	Confident	77 Å²	77	71.4 Å²	71.4	34%	0.335	34%	0.335	S	S	.	.	S	Bend	trans	-81.2	-3.2	177	-63.2	-160.7	173.6	-142	0	115.1	I483 L484 S486 K489	I483-K501 WeakPolarHBondContact CG2-O 3.45Å; L484-K501 HydrophobicContact CD2-CB 4.06Å; L484-K501 PolarHBondContact O-NZ 3.3Å; L484-K501 VanDerWaalsContact O-NZ 3.13Å; S486-K501 PolarHBondContact O-NZ 2.97Å; K489-K501 HydrophobicContact CG-CG 4.06Å
502	S	74.3	Confident	72.4	Confident	20 Å²	20	72.1 Å²	72.1	14%	0.14	34%	0.338	C	S	.	.	S	Bend	trans	-154.3	147.7	172.2	168.5	0	0	0	0	110.5	E480 F491 F500 F504 A505 R506	E480-S502 PolarHBondContact OE1-OG 2.91Å; F491-S502 VanDerWaalsContact CD2-CA 3.47Å; F500-S502 VanDerWaalsContact C-N 3.35Å; S502-F504 PolarHBondContact O-N 2.57Å; S502-F504 PolarHBondContact OG-N 2.91Å; S502-A505 WeakPolarHBondContact O-CB 3.43Å; S502-A505 PolarHBondContact O-N 3.03Å; S502-A505 VanDerWaalsContact O-N 3.09Å; S502-R506 PolarHBondContact O-N 3.22Å; S502-R506 VanDerWaalsContact O-N 3.08Å
503	R	72.4	Confident	72	Confident	159 Å²	159	74 Å²	74	60%	0.6	35%	0.347	S	S	*	.	H	α-helix	trans	-53.3	-37.6	173.1	-179.7	174.7	175.6	150.6	-3.3	112.2	F491 R506 L507	F491-R503 HydrophobicContact CD1-CB 4.09Å; F491-R503 HydrophobicContact CE1-CB 3.94Å; F491-R503 HydrophobicContact CZ-CB 4.22Å; R503-R506 PolarHBondContact O-N 3.05Å; R503-L507 HydrophobicContact CG-CD1 4.12Å; R503-L507 WeakPolarHBondContact O-CG 3.46Å; R503-L507 PolarHBondContact O-N 3.07Å
504	F	73.2	Confident	71.5	Confident	148 Å²	148	76.5 Å²	76.5	65%	0.649	36%	0.358	S	S	*	.	H	α-helix	trans	-69.1	-37.8	178.4	-174.5	-97.5	0	0	0	112.3	S502 L507 K508	S502-F504 PolarHBondContact O-N 2.57Å; S502-F504 PolarHBondContact OG-N 2.91Å; F504-L507 PolarHBondContact O-N 3.21Å; F504-K508 HydrophobicContact CE1-CD 4.37Å; F504-K508 WeakPolarHBondContact O-CB 3.36Å; F504-K508 PolarHBondContact O-N 2.98Å
505	A	73.8	Confident	71.2	Confident	43 Å²	43	76.5 Å²	76.5	36%	0.355	35%	0.353	S	S	.	.	H	α-helix	trans	-65.8	-42.8	175.2	0	0	0	0	0	111.4	F500 S502 K508 H509	F500-A505 HydrophobicContact CB-CB 4.24Å; F500-A505 HydrophobicContact CD1-CB 4.14Å; S502-A505 WeakPolarHBondContact O-CB 3.43Å; S502-A505 PolarHBondContact O-N 3.03Å; S502-A505 VanDerWaalsContact O-N 3.09Å; A505-K508 PolarHBondContact O-N 2.93Å; A505-H509 PolarHBondContact O-N 2.68Å
506	R	79.9	Confident	70.8	Confident	43 Å²	43	71.3 Å²	71.3	16%	0.162	34%	0.344	C	S	.	.	H	α-helix	trans	-59.2	-47	173.3	-172.7	-174.3	65.4	77.2	-15.9	112.2	F491 K492 C493 F500 S502 R503 K508 H509 Q510	F491-R506 HydrophobicContact CB-CB 4.14Å; K492-R506 WeakPolarHBondContact O-CD 3.43Å; C493-R506 HydrophobicContact CB-CG 4.45Å; F500-R506 HydrophobicContact CB-CB 4.04Å; F500-R506 HydrophobicContact CD2-CB 3.81Å; F500-R506 HydrophobicContact CD2-CG 3.89Å; F500-R506 HydrophobicContact CE2-CG 4.47Å; F500-R506 HydrophobicContact CG-CB 4.05Å; S502-R506 PolarHBondContact O-N 3.22Å; S502-R506 VanDerWaalsContact O-N 3.08Å; R503-R506 PolarHBondContact O-N 3.05Å; R506-K508 VanDerWaalsContact C-N 3.34Å; R506-K508 PolarHBondContact O-N 3.09Å; R506-H509 WeakPolarHBondContact O-CB 3.17Å; R506-H509 PolarHBondContact O-N 3.5Å; R506-Q510 WeakPolarHBondContact O-CB 3.32Å; R506-Q510 PolarHBondContact O-N 2.95Å
507	L	72.2	Confident	70	Confident	75 Å²	75	72.8 Å²	72.8	39%	0.393	35%	0.353	S	S	.	.	H	α-helix	trans	-63.2	-40.2	178.8	-74.4	168.4	0	0	0	111.7	R503 F504 H509 Q510 E511	R503-L507 HydrophobicContact CG-CD1 4.12Å; R503-L507 WeakPolarHBondContact O-CG 3.46Å; R503-L507 PolarHBondContact O-N 3.07Å; F504-L507 PolarHBondContact O-N 3.21Å; L507-H509 VanDerWaalsContact C-N 3.33Å; L507-H509 PolarHBondContact O-N 3.02Å; L507-Q510 WeakPolarHBondContact O-CB 3.45Å; L507-Q510 PolarHBondContact O-N 3.43Å; L507-E511 WeakPolarHBondContact O-CB 3.32Å; L507-E511 PolarHBondContact O-N 2.84Å
508	K	72.6	Confident	70	Confident	60 Å²	60	68.5 Å²	68.5	26%	0.261	33%	0.332	S	S	.	.	H	α-helix	trans	-72.3	-24.9	177.3	-168	157.6	-162.9	67.2	0	113.7	F504 A505 R506 E511 K512 D529	F504-K508 HydrophobicContact CE1-CD 4.37Å; F504-K508 WeakPolarHBondContact O-CB 3.36Å; F504-K508 PolarHBondContact O-N 2.98Å; A505-K508 PolarHBondContact O-N 2.93Å; R506-K508 VanDerWaalsContact C-N 3.34Å; R506-K508 PolarHBondContact O-N 3.09Å; K508-E511 IonicContact NZ-OE2 3.14Å; K508-E511 PolarHBondContact NZ-OE2 2.74Å; K508-K512 HydrophobicContact CG-CD 4.38Å; K508-K512 WeakPolarHBondContact O-CB 3.4Å; K508-K512 WeakPolarHBondContact O-CD 3.2Å; K508-K512 VanDerWaalsContact O-CG 3.24Å; K508-K512 WeakPolarHBondContact O-CG 3.48Å; K508-K512 PolarHBondContact O-N 3.08Å; K508-D529 WeakPolarHBondContact CE-OD2 3.4Å; K508-D529 IonicContact NZ-OD1 2.8Å; K508-D529 PolarHBondContact NZ-OD1 3.16Å; K508-D529 IonicContact NZ-OD2 2.71Å; K508-D529 PolarHBondContact NZ-OD2 3.41Å
509	H	75.7	Confident	70.2	Confident	24 Å²	24	66.8 Å²	66.8	11%	0.111	33%	0.329	C	S	.	.	H	α-helix	trans	-69.3	-48.2	166.1	175.1	89.7	0	0	0	111.3	C496 E498 F500 A505 R506 L507 E511 K512 F513 H514	C496-H509 PolarHBondContact SG-NE2 3.01Å; E498-H509 IonicContact OE1-CE1 2.74Å; E498-H509 IonicContact OE2-CE1 3.87Å; E498-H509 PolarHBondContact OE2-CE1 3.47Å; E498-H509 IonicContact OE2-ND1 2.79Å; E498-H509 PolarHBondContact OE2-ND1 2.82Å; F500-H509 HydrophobicContact CE1-CB 3.8Å; F500-H509 HydrophobicContact CE2-CB 3.98Å; F500-H509 AromaticContact CE2-CG 3.85Å; F500-H509 HydrophobicContact CZ-CB 3.44Å; F500-H509 VanDerWaalsContact CZ-CB 3.44Å; F500-H509 AromaticContact CZ-CD2 3.9Å; F500-H509 AromaticContact CZ-CG 3.27Å; F500-H509 AromaticContact CZ-ND1 3.44Å; F500-H509 WeakPolarHBondContact CZ-ND1 3.5Å; A505-H509 PolarHBondContact O-N 2.68Å; R506-H509 WeakPolarHBondContact O-CB 3.17Å; R506-H509 PolarHBondContact O-N 3.5Å; L507-H509 VanDerWaalsContact C-N 3.33Å; L507-H509 PolarHBondContact O-N 3.02Å; H509-E511 VanDerWaalsContact C-N 3.32Å; H509-E511 PolarHBondContact O-N 3.11Å; H509-K512 WeakPolarHBondContact O-CA 3.49Å; H509-K512 PolarHBondContact O-N 3.41Å; H509-F513 AromaticContact CE1-CD2 3.51Å; H509-F513 AromaticContact CE1-CE2 3.97Å; H509-F513 AromaticContact CE1-CG 3.78Å; H509-F513 AromaticContact CG-CD2 3.9Å; H509-F513 AromaticContact ND1-CD2 3.22Å; H509-F513 WeakPolarHBondContact ND1-CD2 3.33Å; H509-F513 AromaticContact ND1-CE2 3.63Å; H509-F513 WeakPolarHBondContact O-CD2 3.45Å; H509-F513 PolarHBondContact O-N 2.86Å; H509-H514 AromaticContact CD2-CD2 3.73Å; H509-H514 AromaticContact CD2-NE2 3.72Å; H509-H514 AromaticContact NE2-CD2 3.06Å; H509-H514 PolarHBondContact NE2-CD2 2.93Å; H509-H514 AromaticContact NE2-CE1 3.37Å; H509-H514 PolarHBondContact NE2-CE1 3.32Å; H509-H514 AromaticContact NE2-NE2 2.3Å; H509-H514 PolarHBondContact NE2-NE2 3.42Å
510	Q	72.2	Confident	70.1	Confident	31 Å²	31	62.8 Å²	62.8	15%	0.145	31%	0.311	C	S	.	.	H	α-helix	trans	-57.1	-44.4	177.4	-173.2	-178.1	-24.5	0	0	111.6	Y495 R506 L507 K512 H514 L515	Y495-Q510 HydrophobicContact CD2-CG 4.01Å; Y495-Q510 HydrophobicContact CE2-CG 4.03Å; R506-Q510 WeakPolarHBondContact O-CB 3.32Å; R506-Q510 PolarHBondContact O-N 2.95Å; L507-Q510 WeakPolarHBondContact O-CB 3.45Å; L507-Q510 PolarHBondContact O-N 3.43Å; Q510-K512 VanDerWaalsContact C-N 3.26Å; Q510-K512 PolarHBondContact O-N 2.86Å; Q510-H514 CarbonylContact O-C 3.56Å; Q510-H514 PolarHBondContact O-N 3.43Å; Q510-H514 VanDerWaalsContact O-N 3.17Å; Q510-L515 HydrophobicContact CG-CD1 4.24Å; Q510-L515 PolarHBondContact O-N 3.02Å
511	E	70.3	Confident	70.1	Confident	35 Å²	35	68 Å²	68	16%	0.164	34%	0.34	C	S	.	.	H	α-helix	trans	-56	-36.7	171.3	-169.8	-169.8	-179.3	0	0	112.7	L507 K508 H509 G516 F518 T530	L507-E511 WeakPolarHBondContact O-CB 3.32Å; L507-E511 PolarHBondContact O-N 2.84Å; K508-E511 IonicContact NZ-OE2 3.14Å; K508-E511 PolarHBondContact NZ-OE2 2.74Å; H509-E511 VanDerWaalsContact C-N 3.32Å; H509-E511 PolarHBondContact O-N 3.11Å; E511-G516 PolarHBondContact O-N 3.18Å; E511-F518 HydrophobicContact CG-CE2 3.98Å; E511-F518 HydrophobicContact CG-CZ 4.28Å; E511-T530 WeakPolarHBondContact OE1-CB 3.14Å; E511-T530 WeakPolarHBondContact OE1-CG2 3.41Å; E511-T530 PolarHBondContact OE1-N 3.28Å; E511-T530 PolarHBondContact OE1-OG1 2.98Å
512	K	66.8	Low	70.4	Confident	65 Å²	65	69.2 Å²	69.2	28%	0.283	35%	0.349	S	S	.	.	H	α-helix	trans	-87.3	-38.1	-171.1	-85.2	175	178.5	-160.6	0	116.2	K508 H509 Q510 N528 D529	K508-K512 HydrophobicContact CG-CD 4.38Å; K508-K512 WeakPolarHBondContact O-CB 3.4Å; K508-K512 WeakPolarHBondContact O-CD 3.2Å; K508-K512 VanDerWaalsContact O-CG 3.24Å; K508-K512 WeakPolarHBondContact O-CG 3.48Å; K508-K512 PolarHBondContact O-N 3.08Å; H509-K512 WeakPolarHBondContact O-CA 3.49Å; H509-K512 PolarHBondContact O-N 3.41Å; Q510-K512 VanDerWaalsContact C-N 3.26Å; Q510-K512 PolarHBondContact O-N 2.86Å; K512-N528 VanDerWaalsContact CA-O 3.32Å; K512-N528 WeakPolarHBondContact CA-O 3.42Å; K512-N528 HydrophobicContact CG-CB 4.37Å; K512-N528 WeakPolarHBondContact CG-O 3.46Å; K512-D529 WeakPolarHBondContact CE-OD2 3.16Å; K512-D529 IonicContact NZ-OD2 2.87Å; K512-D529 PolarHBondContact NZ-OD2 3.49Å; K512-D529 VanDerWaalsContact NZ-OD2 3.16Å
513	F	62.2	Low	70.2	Confident	132 Å²	132	70.7 Å²	70.7	58%	0.579	36%	0.359	S	S	*	.	H	α-helix	trans	-119.5	-12.4	-166.6	-63.8	-79.3	0	0	0	113.5	H509	H509-F513 AromaticContact CE1-CD2 3.51Å; H509-F513 AromaticContact CE1-CE2 3.97Å; H509-F513 AromaticContact CE1-CG 3.78Å; H509-F513 AromaticContact CG-CD2 3.9Å; H509-F513 AromaticContact ND1-CD2 3.22Å; H509-F513 WeakPolarHBondContact ND1-CD2 3.33Å; H509-F513 AromaticContact ND1-CE2 3.63Å; H509-F513 WeakPolarHBondContact O-CD2 3.45Å; H509-F513 PolarHBondContact O-N 2.86Å
514	H	65.9	Low	70.2	Confident	61 Å²	61	65.6 Å²	65.6	28%	0.282	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-128	-14.8	-177.9	-56.6	-62.3	0	0	0	113.9	Y495 C496 H509 Q510	Y495-H514 WeakPolarHBondContact CB-ND1 3.29Å; Y495-H514 HydrophobicContact CD2-CB 4.15Å; Y495-H514 HydrophobicContact CG-CB 4.01Å; Y495-H514 PolarHBondContact O-CE1 2.97Å; C496-H514 PolarHBondContact SG-NE2 3.33Å; H509-H514 AromaticContact CD2-CD2 3.73Å; H509-H514 AromaticContact CD2-NE2 3.72Å; H509-H514 AromaticContact NE2-CD2 3.06Å; H509-H514 PolarHBondContact NE2-CD2 2.93Å; H509-H514 AromaticContact NE2-CE1 3.37Å; H509-H514 PolarHBondContact NE2-CE1 3.32Å; H509-H514 AromaticContact NE2-NE2 2.3Å; H509-H514 PolarHBondContact NE2-NE2 3.42Å; Q510-H514 CarbonylContact O-C 3.56Å; Q510-H514 PolarHBondContact O-N 3.43Å; Q510-H514 VanDerWaalsContact O-N 3.17Å
515	L	67.1	Low	70.1	Confident	95 Å²	95	66.5 Å²	66.5	50%	0.497	36%	0.355	S	S	.	.	S	Bend	trans	-120.8	3.5	174.3	-61.7	172.2	0	0	0	113	Q510	Q510-L515 HydrophobicContact CG-CD1 4.24Å; Q510-L515 PolarHBondContact O-N 3.02Å
516	G	58.6	Low	70	Confident	34 Å²	34	71 Å²	71	35%	0.351	37%	0.369	S	S	.	.			trans	-84.7	155.9	174.6	0	0	0	0	0	111.9	E511	E511-G516 PolarHBondContact O-N 3.18Å
517	P	60.3	Low	69.7	Low	65 Å²	65	71 Å²	71	42%	0.422	37%	0.37	S	S	.	.			cis	-100.1	150.5	6.8	34	-27.9	0	0	0	113.8	P519 Q526	P517-P519 WeakPolarHBondContact O-CD 3.49Å; P517-Q526 HydrophobicContact CB-CB 3.73Å; P517-Q526 HydrophobicContact CB-CG 3.94Å; P517-Q526 HydrophobicContact CG-CB 4.31Å; P517-Q526 HydrophobicContact CG-CG 3.99Å
518	F	66.7	Low	69.5	Low	55 Å²	55	72 Å²	72	24%	0.241	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	109.1	165.6	-56.9	-82.9	0	0	0	109	E511 F527 T530 L533	E511-F518 HydrophobicContact CG-CE2 3.98Å; E511-F518 HydrophobicContact CG-CZ 4.28Å; F518-F527 WeakPolarHBondContact CD2-O 3.39Å; F518-F527 PolarHBondContact N-O 3.15Å; F518-F527 PolarHBondContact O-N 2.8Å; F518-T530 HydrophobicContact CD1-CG2 3.87Å; F518-T530 HydrophobicContact CD2-CG2 3.87Å; F518-T530 HydrophobicContact CE1-CG2 3.65Å; F518-T530 HydrophobicContact CE2-CG2 3.67Å; F518-T530 HydrophobicContact CG-CG2 3.98Å; F518-T530 HydrophobicContact CZ-CG2 3.55Å; F518-L533 HydrophobicContact CB-CD2 3.73Å
519	P	71.5	Confident	69.7	Low	64 Å²	64	69.7 Å²	69.7	42%	0.416	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	155.2	173.8	31	-35.3	0	0	0	110.7	P517 R525 L533	P517-P519 WeakPolarHBondContact O-CD 3.49Å; P519-R525 CarbonylContact C-O 3.37Å; P519-L533 VanDerWaalsContact O-CD2 3.29Å; P519-L533 WeakPolarHBondContact O-CD2 3.23Å
520	C	74.7	Confident	69.6	Low	0 Å²	0	71.2 Å²	71.2	0%	0	38%	0.378	C	S	.	.			trans	-90.9	113.2	162.9	179.6	0	0	0	0	109.3	I522 C523 G524 R525 F527 L533 H536	C520-I522 PolarHBondContact O-N 3.07Å; C520-C523 PolarHBondContact O-N 2.89Å; C520-G524 PolarHBondContact O-N 3.37Å; C520-R525 PolarHBondContact N-O 3.22Å; C520-F527 HydrophobicContact CB-CD2 4.46Å; C520-F527 HydrophobicContact CB-CE2 4.02Å; C520-L533 HydrophobicContact CB-CD1 3.55Å; C520-H536 VanDerWaalsContact SG-CD2 3.57Å
521	D	74.4	Confident	69.7	Low	142 Å²	142	71.6 Å²	71.6	76%	0.759	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-22.8	-175.5	-41.8	-67.4	0	0	0	113
522	I	72.9	Confident	70	Confident	102 Å²	102	72.6 Å²	72.6	52%	0.523	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.8	-10.6	-177.4	-39.1	171.9	0	0	0	113	C520 I537 H541	C520-I522 PolarHBondContact O-N 3.07Å; I522-I537 HydrophobicContact CD1-CG2 4.33Å; I522-H541 HydrophobicContact CD1-CB 3.61Å; I522-H541 HydrophobicContact CG2-CB 4.36Å; I522-H541 VanDerWaalsContact CG2-ND1 3.31Å; I522-H541 WeakPolarHBondContact CG2-ND1 3.42Å
523	C	71.9	Confident	70.4	Confident	51 Å²	51	70.5 Å²	70.5	35%	0.345	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-155	12.4	178.7	73.5	0	0	0	0	117	C520 R525 H536	C520-C523 PolarHBondContact O-N 2.89Å; C523-R525 PolarHBondContact O-N 2.99Å; C523-H536 PolarHBondContact SG-NE2 2.93Å
524	G	72.4	Confident	71	Confident	53 Å²	53	70.2 Å²	70.2	55%	0.546	39%	0.387	S	S	.	.			trans	67.1	-10.7	178.2	0	0	0	0	0	116.2	C520 Q526	C520-G524 PolarHBondContact O-N 3.37Å; G524-Q526 PolarHBondContact O-N 2.94Å
525	R	70.2	Confident	71.3	Confident	167 Å²	167	72.9 Å²	72.9	63%	0.63	39%	0.394	S	S	*	.			trans	-61.9	125.2	-177.5	-70.8	179.5	-174.9	-97.4	-6	110.9	P519 C520 C523 F527	P519-R525 CarbonylContact C-O 3.37Å; C520-R525 PolarHBondContact N-O 3.22Å; C523-R525 PolarHBondContact O-N 2.99Å; R525-F527 HydrophobicContact CB-CE2 3.57Å; R525-F527 HydrophobicContact CB-CZ 3.86Å; R525-F527 WeakPolarHBondContact O-CD2 3.5Å; R525-F527 WeakPolarHBondContact O-CE2 3.48Å
526	Q	72.1	Confident	71.8	Confident	138 Å²	138	69.6 Å²	69.6	65%	0.645	38%	0.376	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.2	135.2	179.5	-71	177.1	20.9	0	0	111.2	P517 G524	P517-Q526 HydrophobicContact CB-CB 3.73Å; P517-Q526 HydrophobicContact CB-CG 3.94Å; P517-Q526 HydrophobicContact CG-CB 4.31Å; P517-Q526 HydrophobicContact CG-CG 3.99Å; G524-Q526 PolarHBondContact O-N 2.94Å
527	F	73	Confident	72.4	Confident	41 Å²	41	70.5 Å²	70.5	18%	0.18	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	131.5	177.5	-63.7	-85	0	0	0	111.1	F518 C520 R525 D529 N532 L533 H536	F518-F527 WeakPolarHBondContact CD2-O 3.39Å; F518-F527 PolarHBondContact N-O 3.15Å; F518-F527 PolarHBondContact O-N 2.8Å; C520-F527 HydrophobicContact CB-CD2 4.46Å; C520-F527 HydrophobicContact CB-CE2 4.02Å; R525-F527 HydrophobicContact CB-CE2 3.57Å; R525-F527 HydrophobicContact CB-CZ 3.86Å; R525-F527 WeakPolarHBondContact O-CD2 3.5Å; R525-F527 WeakPolarHBondContact O-CE2 3.48Å; F527-D529 PolarHBondContact O-N 2.98Å; F527-N532 HydrophobicContact CD1-CB 4.29Å; F527-L533 HydrophobicContact CB-CB 4.14Å; F527-L533 HydrophobicContact CD2-CB 4.33Å; F527-L533 HydrophobicContact CD2-CD1 3.79Å; F527-L533 HydrophobicContact CE2-CD1 4.26Å; F527-L533 HydrophobicContact CG-CB 4.39Å; F527-H536 HydrophobicContact CE1-CB 3.91Å; F527-H536 AromaticContact CE1-CG 3.96Å; F527-H536 HydrophobicContact CE2-CB 3.99Å; F527-H536 AromaticContact CE2-CD2 3.24Å; F527-H536 WeakPolarHBondContact CE2-CD2 3.47Å; F527-H536 AromaticContact CE2-CG 3.55Å; F527-H536 AromaticContact CE2-NE2 3.74Å; F527-H536 HydrophobicContact CZ-CB 3.6Å; F527-H536 AromaticContact CZ-CD2 3.37Å; F527-H536 WeakPolarHBondContact CZ-CD2 3.46Å; F527-H536 AromaticContact CZ-CE1 3.81Å; F527-H536 AromaticContact CZ-CG 3.18Å; F527-H536 AromaticContact CZ-ND1 3.5Å; F527-H536 WeakPolarHBondContact CZ-ND1 3.41Å; F527-H536 AromaticContact CZ-NE2 3.74Å
528	N	69	Low	73	Confident	96 Å²	96	71.6 Å²	71.6	51%	0.513	37%	0.372	S	S	.	.	S	Bend	trans	-77.4	7	-179.7	-45.6	62.1	0	0	0	113.8	K512	K512-N528 VanDerWaalsContact CA-O 3.32Å; K512-N528 WeakPolarHBondContact CA-O 3.42Å; K512-N528 HydrophobicContact CG-CB 4.37Å; K512-N528 WeakPolarHBondContact CG-O 3.46Å
529	D	74.9	Confident	72.9	Confident	12 Å²	12	70 Å²	70	6%	0.064	37%	0.368	C	S	.	.			trans	-156	119.6	-166.9	-168.1	-43.8	0	0	0	108.3	K508 K512 F527 G531 N532 L533	K508-D529 WeakPolarHBondContact CE-OD2 3.4Å; K508-D529 IonicContact NZ-OD1 2.8Å; K508-D529 PolarHBondContact NZ-OD1 3.16Å; K508-D529 IonicContact NZ-OD2 2.71Å; K508-D529 PolarHBondContact NZ-OD2 3.41Å; K512-D529 WeakPolarHBondContact CE-OD2 3.16Å; K512-D529 IonicContact NZ-OD2 2.87Å; K512-D529 PolarHBondContact NZ-OD2 3.49Å; K512-D529 VanDerWaalsContact NZ-OD2 3.16Å; F527-D529 PolarHBondContact O-N 2.98Å; D529-G531 PolarHBondContact O-N 3.05Å; D529-G531 VanDerWaalsContact O-N 3.16Å; D529-G531 PolarHBondContact OD1-N 2.78Å; D529-N532 HydrophobicContact CB-CB 4.05Å; D529-N532 WeakPolarHBondContact O-CA 3.46Å; D529-N532 WeakPolarHBondContact O-CB 3.47Å; D529-N532 PolarHBondContact O-N 3.25Å; D529-L533 PolarHBondContact O-N 2.71Å
530	T	75.1	Confident	72.4	Confident	56 Å²	56	70.4 Å²	70.4	34%	0.344	37%	0.369	S	S	.	.	H	α-helix	trans	-60.9	-28.8	-176.4	58.2	0	0	0	0	112	E511 F518 L533 K534	E511-T530 WeakPolarHBondContact OE1-CB 3.14Å; E511-T530 WeakPolarHBondContact OE1-CG2 3.41Å; E511-T530 PolarHBondContact OE1-N 3.28Å; E511-T530 PolarHBondContact OE1-OG1 2.98Å; F518-T530 HydrophobicContact CD1-CG2 3.87Å; F518-T530 HydrophobicContact CD2-CG2 3.87Å; F518-T530 HydrophobicContact CE1-CG2 3.65Å; F518-T530 HydrophobicContact CE2-CG2 3.67Å; F518-T530 HydrophobicContact CG-CG2 3.98Å; F518-T530 HydrophobicContact CZ-CG2 3.55Å; T530-L533 PolarHBondContact O-N 2.8Å; T530-K534 WeakPolarHBondContact O-CB 3.43Å; T530-K534 WeakPolarHBondContact O-CG 3.06Å; T530-K534 PolarHBondContact O-N 2.72Å
531	G	74.6	Confident	72.2	Confident	39 Å²	39	73.7 Å²	73.7	40%	0.402	38%	0.384	S	S	.	.	H	α-helix	trans	-69.5	-29.9	172.7	0	0	0	0	0	113.5	D529 R535	D529-G531 PolarHBondContact O-N 3.05Å; D529-G531 VanDerWaalsContact O-N 3.16Å; D529-G531 PolarHBondContact OD1-N 2.78Å; G531-R535 VanDerWaalsContact O-CB 3.25Å; G531-R535 WeakPolarHBondContact O-CB 3.47Å; G531-R535 PolarHBondContact O-N 2.67Å
532	N	75.1	Confident	71.8	Confident	56 Å²	56	68.4 Å²	68.4	30%	0.299	36%	0.364	S	S	.	.	H	α-helix	trans	-77.8	-37.2	171.2	-75.4	-39.7	0	0	0	112	F527 D529 R535 H536	F527-N532 HydrophobicContact CD1-CB 4.29Å; D529-N532 HydrophobicContact CB-CB 4.05Å; D529-N532 WeakPolarHBondContact O-CA 3.46Å; D529-N532 WeakPolarHBondContact O-CB 3.47Å; D529-N532 PolarHBondContact O-N 3.25Å; N532-R535 PolarHBondContact O-N 3.46Å; N532-R535 PolarHBondContact OD1-NH2 2.79Å; N532-H536 VanDerWaalsContact O-CB 3.23Å; N532-H536 WeakPolarHBondContact O-CB 3.47Å; N532-H536 PolarHBondContact O-N 2.7Å
533	L	76.3	Confident	71.1	Confident	22 Å²	22	66.5 Å²	66.5	12%	0.115	37%	0.369	C	S	.	.	H	α-helix	trans	-61.1	-51.8	173.3	174.3	57.6	0	0	0	111.1	F518 P519 C520 F527 D529 T530 R535 H536 I537	F518-L533 HydrophobicContact CB-CD2 3.73Å; P519-L533 VanDerWaalsContact O-CD2 3.29Å; P519-L533 WeakPolarHBondContact O-CD2 3.23Å; C520-L533 HydrophobicContact CB-CD1 3.55Å; F527-L533 HydrophobicContact CB-CB 4.14Å; F527-L533 HydrophobicContact CD2-CB 4.33Å; F527-L533 HydrophobicContact CD2-CD1 3.79Å; F527-L533 HydrophobicContact CE2-CD1 4.26Å; F527-L533 HydrophobicContact CG-CB 4.39Å; D529-L533 PolarHBondContact O-N 2.71Å; T530-L533 PolarHBondContact O-N 2.8Å; L533-R535 VanDerWaalsContact C-N 3.32Å; L533-R535 PolarHBondContact O-N 3.2Å; L533-H536 WeakPolarHBondContact O-CA 3.29Å; L533-H536 WeakPolarHBondContact O-CB 3.32Å; L533-H536 PolarHBondContact O-N 2.87Å; L533-H536 VanDerWaalsContact O-N 3.07Å; L533-I537 HydrophobicContact CD1-CD1 3.74Å; L533-I537 HydrophobicContact CD1-CG1 3.97Å; L533-I537 HydrophobicContact CG-CD1 3.91Å; L533-I537 WeakPolarHBondContact O-CG1 3.25Å; L533-I537 PolarHBondContact O-N 3.42Å
534	K	74.9	Confident	70.5	Confident	126 Å²	126	71.5 Å²	71.5	55%	0.548	39%	0.385	S	S	.	.	H	α-helix	trans	-57.9	-43.1	177.5	-73.5	-180	177.3	-175.7	0	112.2	T530 I537 E538	T530-K534 WeakPolarHBondContact O-CB 3.43Å; T530-K534 WeakPolarHBondContact O-CG 3.06Å; T530-K534 PolarHBondContact O-N 2.72Å; K534-I537 PolarHBondContact O-N 2.97Å; K534-E538 WeakPolarHBondContact O-CB 3.4Å; K534-E538 PolarHBondContact O-N 3.5Å
535	R	71.7	Confident	69.9	Low	117 Å²	117	75.7 Å²	75.7	44%	0.442	38%	0.384	S	S	.	.	H	α-helix	trans	-66.8	-35.1	175.2	-177.7	170.8	63.3	112.5	-1.2	112.8	G531 N532 L533 C539 E558	G531-R535 VanDerWaalsContact O-CB 3.25Å; G531-R535 WeakPolarHBondContact O-CB 3.47Å; G531-R535 PolarHBondContact O-N 2.67Å; N532-R535 PolarHBondContact O-N 3.46Å; N532-R535 PolarHBondContact OD1-NH2 2.79Å; L533-R535 VanDerWaalsContact C-N 3.32Å; L533-R535 PolarHBondContact O-N 3.2Å; R535-C539 WeakPolarHBondContact O-CB 3.3Å; R535-C539 PolarHBondContact O-N 3.35Å; R535-C539 PolarHBondContact O-SG 3.17Å; R535-E558 WeakPolarHBondContact CD-OE1 3.46Å; R535-E558 IonicContact CZ-OE1 3.97Å; R535-E558 IonicContact NE-OE1 2.68Å; R535-E558 IonicContact NH1-OE1 3.22Å; R535-E558 PolarHBondContact NH1-OE1 2.94Å
536	H	76.6	Confident	69.7	Low	26 Å²	26	73.7 Å²	73.7	12%	0.12	38%	0.38	C	S	.	.	H	α-helix	trans	-64.5	-53.9	173.8	168.8	69.6	0	0	0	110.3	C520 C523 F527 N532 L533 E538 C539 T540 H541	C520-H536 VanDerWaalsContact SG-CD2 3.57Å; C523-H536 PolarHBondContact SG-NE2 2.93Å; F527-H536 HydrophobicContact CE1-CB 3.91Å; F527-H536 AromaticContact CE1-CG 3.96Å; F527-H536 HydrophobicContact CE2-CB 3.99Å; F527-H536 AromaticContact CE2-CD2 3.24Å; F527-H536 WeakPolarHBondContact CE2-CD2 3.47Å; F527-H536 AromaticContact CE2-CG 3.55Å; F527-H536 AromaticContact CE2-NE2 3.74Å; F527-H536 HydrophobicContact CZ-CB 3.6Å; F527-H536 AromaticContact CZ-CD2 3.37Å; F527-H536 WeakPolarHBondContact CZ-CD2 3.46Å; F527-H536 AromaticContact CZ-CE1 3.81Å; F527-H536 AromaticContact CZ-CG 3.18Å; F527-H536 AromaticContact CZ-ND1 3.5Å; F527-H536 WeakPolarHBondContact CZ-ND1 3.41Å; F527-H536 AromaticContact CZ-NE2 3.74Å; N532-H536 VanDerWaalsContact O-CB 3.23Å; N532-H536 WeakPolarHBondContact O-CB 3.47Å; N532-H536 PolarHBondContact O-N 2.7Å; L533-H536 WeakPolarHBondContact O-CA 3.29Å; L533-H536 WeakPolarHBondContact O-CB 3.32Å; L533-H536 PolarHBondContact O-N 2.87Å; L533-H536 VanDerWaalsContact O-N 3.07Å; H536-E538 VanDerWaalsContact C-N 3.31Å; H536-E538 PolarHBondContact O-N 3.19Å; H536-C539 CarbonylContact O-C 3.57Å; H536-C539 WeakPolarHBondContact O-CA 3.44Å; H536-C539 PolarHBondContact O-N 2.75Å; H536-T540 PolarHBondContact CE1-OG1 3.23Å; H536-T540 PolarHBondContact ND1-OG1 3.19Å; H536-T540 PolarHBondContact NE2-OG1 3.11Å; H536-T540 PolarHBondContact O-N 2.98Å; H536-T540 PolarHBondContact O-OG1 2.91Å; H536-H541 AromaticContact NE2-NE2 3.66Å
537	I	73.2	Confident	69.5	Low	53 Å²	53	71 Å²	71	27%	0.272	36%	0.364	S	S	.	.	H	α-helix	trans	-51.8	-50.2	175	-66.5	168.4	0	0	0	110.4	I522 L533 K534 C539 H541 G542	I522-I537 HydrophobicContact CD1-CG2 4.33Å; L533-I537 HydrophobicContact CD1-CD1 3.74Å; L533-I537 HydrophobicContact CD1-CG1 3.97Å; L533-I537 HydrophobicContact CG-CD1 3.91Å; L533-I537 WeakPolarHBondContact O-CG1 3.25Å; L533-I537 PolarHBondContact O-N 3.42Å; K534-I537 PolarHBondContact O-N 2.97Å; I537-C539 PolarHBondContact O-N 2.87Å; I537-H541 CarbonylContact O-C 3.44Å; I537-H541 PolarHBondContact O-N 2.88Å; I537-G542 PolarHBondContact O-N 2.86Å
538	E	71.2	Confident	69.6	Low	88 Å²	88	73.5 Å²	73.5	41%	0.411	38%	0.383	S	S	.	.	H	α-helix	trans	-60.4	-27.5	176.3	-173.7	177.6	-152.1	0	0	113.6	K534 H536 G542 K546	K534-E538 WeakPolarHBondContact O-CB 3.4Å; K534-E538 PolarHBondContact O-N 3.5Å; H536-E538 VanDerWaalsContact C-N 3.31Å; H536-E538 PolarHBondContact O-N 3.19Å; E538-G542 VanDerWaalsContact O-O 3.05Å; E538-K546 WeakPolarHBondContact OE1-CE 3.43Å; E538-K546 IonicContact OE1-NZ 3.16Å; E538-K546 PolarHBondContact OE1-NZ 3.34Å
539	C	65.2	Low	70.2	Confident	22 Å²	22	69 Å²	69	15%	0.149	36%	0.359	C	S	.	.	H	α-helix	trans	-97.5	-29.3	-176.6	-72	0	0	0	0	115.3	R535 H536 I537 R557	R535-C539 WeakPolarHBondContact O-CB 3.3Å; R535-C539 PolarHBondContact O-N 3.35Å; R535-C539 PolarHBondContact O-SG 3.17Å; H536-C539 CarbonylContact O-C 3.57Å; H536-C539 WeakPolarHBondContact O-CA 3.44Å; H536-C539 PolarHBondContact O-N 2.75Å; I537-C539 PolarHBondContact O-N 2.87Å; C539-R557 WeakPolarHBondContact O-CD 3.45Å; C539-R557 PolarHBondContact O-NE 3.48Å; C539-R557 PolarHBondContact O-NH1 3.11Å
540	T	62	Low	70	Confident	72 Å²	72	76.5 Å²	76.5	44%	0.442	39%	0.391	S	S	.	.	H	α-helix	trans	-105.4	-33.6	-178.7	47.7	0	0	0	0	113.3	H536	H536-T540 PolarHBondContact CE1-OG1 3.23Å; H536-T540 PolarHBondContact ND1-OG1 3.19Å; H536-T540 PolarHBondContact NE2-OG1 3.11Å; H536-T540 PolarHBondContact O-N 2.98Å; H536-T540 PolarHBondContact O-OG1 2.91Å
541	H	69.6	Low	70.2	Confident	68 Å²	68	78 Å²	78	32%	0.315	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110	-35.5	-175	-55.4	-67.8	0	0	0	111.8	I522 H536 I537 G543	I522-H541 HydrophobicContact CD1-CB 3.61Å; I522-H541 HydrophobicContact CG2-CB 4.36Å; I522-H541 VanDerWaalsContact CG2-ND1 3.31Å; I522-H541 WeakPolarHBondContact CG2-ND1 3.42Å; H536-H541 AromaticContact NE2-NE2 3.66Å; I537-H541 CarbonylContact O-C 3.44Å; I537-H541 PolarHBondContact O-N 2.88Å; H541-G543 VanDerWaalsContact C-N 3.33Å; H541-G543 PolarHBondContact O-N 3.39Å
542	G	65.9	Low	70.1	Confident	32 Å²	32	78.6 Å²	78.6	33%	0.33	39%	0.393	S	S	.	.			trans	-69.3	80.3	168.2	0	0	0	0	0	112.3	I537 E538 K544	I537-G542 PolarHBondContact O-N 2.86Å; E538-G542 VanDerWaalsContact O-O 3.05Å; G542-K544 PolarHBondContact O-N 3.33Å
543	G	59.2	Low	70	Confident	62 Å²	62	78.7 Å²	78.7	64%	0.639	41%	0.408	S	S	*	.			trans	-57.1	-11.5	-176.9	0	0	0	0	0	116.3	H541 R545	H541-G543 VanDerWaalsContact C-N 3.33Å; H541-G543 PolarHBondContact O-N 3.39Å; G543-R545 PolarHBondContact O-N 2.93Å
544	K	58.7	Low	70.1	Confident	156 Å²	156	84 Å²	84	68%	0.678	43%	0.43	S	S	*	.			trans	-67.2	85.8	176.8	-61.7	179.1	-177	175.6	0	110.8	G542 K546	G542-K544 PolarHBondContact O-N 3.33Å; K544-K546 VanDerWaalsContact C-N 3.3Å; K544-K546 WeakPolarHBondContact O-CG 3.17Å; K544-K546 PolarHBondContact O-N 2.91Å
545	R	59.7	Low	70.2	Confident	140 Å²	140	80.6 Å²	80.6	53%	0.528	42%	0.422	S	S	.	.			trans	-67.9	78.5	173.7	-67.5	178.6	174.1	82.4	-9.4	112	G543 W547 S555 R557	G543-R545 PolarHBondContact O-N 2.93Å; R545-W547 PolarHBondContact O-N 3.19Å; R545-S555 WeakPolarHBondContact CD-OG 3.46Å; R545-R557 HydrophobicContact CG-CG 4.18Å
546	K	65.3	Low	70.4	Confident	126 Å²	126	76.7 Å²	76.7	55%	0.548	41%	0.412	S	S	.	.			trans	-58	-13.7	-171.1	-69.8	170	-172.9	176.4	0	116.6	E538 K544	E538-K546 WeakPolarHBondContact OE1-CE 3.43Å; E538-K546 IonicContact OE1-NZ 3.16Å; E538-K546 PolarHBondContact OE1-NZ 3.34Å; K544-K546 VanDerWaalsContact C-N 3.3Å; K544-K546 WeakPolarHBondContact O-CG 3.17Å; K544-K546 PolarHBondContact O-N 2.91Å
547	W	69.4	Low	70.1	Confident	81 Å²	81	81.6 Å²	81.6	31%	0.307	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	88.7	-169.9	-61.5	98.4	0	0	0	112.7	R545 V556 R559 L562	R545-W547 PolarHBondContact O-N 3.19Å; W547-V556 PolarHBondContact N-O 2.68Å; W547-V556 VanDerWaalsContact N-O 3.17Å; W547-V556 PolarHBondContact O-N 3.22Å; W547-R559 HydrophobicContact CD2-CB 3.94Å; W547-R559 HydrophobicContact CD2-CG 4.15Å; W547-R559 HydrophobicContact CE3-CB 4.38Å; W547-R559 HydrophobicContact CE3-CG 4.07Å; W547-R559 HydrophobicContact CG-CB 4.31Å; W547-R559 HydrophobicContact CZ2-CB 4.39Å; W547-R559 VanDerWaalsContact CZ2-NE 3.3Å; W547-R559 HydrophobicContact CZ3-CG 4.25Å; W547-L562 HydrophobicContact CB-CB 4.03Å; W547-L562 HydrophobicContact CB-CD2 3.8Å; W547-L562 HydrophobicContact CB-CG 4.5Å; W547-L562 HydrophobicContact CE3-CD2 4.26Å
548	T	73.9	Confident	70.1	Confident	94 Å²	94	81.6 Å²	81.6	58%	0.577	43%	0.428	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.4	142.8	175.6	41.8	0	0	0	0	113.3	L562	T548-L562 WeakPolarHBondContact O-CD2 3.49Å
549	C	81.1	Confident	70.4	Confident	1 Å²	1	84.5 Å²	84.5	1%	0.007	44%	0.435	C	S	.	.			trans	-87.5	114.6	168.3	-178.4	0	0	0	0	110.8	I551 C552 G553 K554 L562 H565 H569	C549-I551 PolarHBondContact O-N 2.82Å; C549-C552 PolarHBondContact O-N 3.49Å; C549-G553 WeakPolarHBondContact O-CA 3.29Å; C549-G553 PolarHBondContact O-N 2.6Å; C549-K554 WeakPolarHBondContact CB-O 3.43Å; C549-K554 PolarHBondContact N-O 3.1Å; C549-L562 HydrophobicContact CB-CD1 3.75Å; C549-H565 PolarHBondContact SG-CD2 2.92Å; C549-H565 PolarHBondContact SG-NE2 3.21Å; C549-H569 PolarHBondContact SG-NE2 3.03Å; C549-H569 VanDerWaalsContact SG-NE2 3.45Å
550	F	72.5	Confident	71	Confident	170 Å²	170	87.7 Å²	87.7	75%	0.746	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-29.3	-179.3	65.8	-82.3	0	0	0	113.9	L566	F550-L566 HydrophobicContact CD1-CD2 4.07Å; F550-L566 HydrophobicContact CE1-CD1 4.49Å; F550-L566 HydrophobicContact CE1-CD2 3.61Å; F550-L566 HydrophobicContact CZ-CD2 4.46Å
551	I	78	Confident	71.9	Confident	88 Å²	88	86.4 Å²	86.4	45%	0.451	45%	0.446	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-26.6	-174.8	-56.9	176.4	0	0	0	112.8	C549 H569	C549-I551 PolarHBondContact O-N 2.82Å; I551-H569 HydrophobicContact CB-CB 4.39Å; I551-H569 HydrophobicContact CD1-CB 3.41Å; I551-H569 VanDerWaalsContact CD1-CB 3.41Å; I551-H569 HydrophobicContact CG1-CB 4.46Å; I551-H569 HydrophobicContact CG2-CB 4.01Å
552	C	73.4	Confident	72.5	Confident	50 Å²	50	84 Å²	84	34%	0.338	44%	0.436	S	S	.	.	T	Hydrogen-bonded Turn	trans	-143.6	21.2	-175.4	78.6	0	0	0	0	114.9	C549 K554 H565	C549-C552 PolarHBondContact O-N 3.49Å; C552-K554 PolarHBondContact O-N 3.42Å; C552-H565 PolarHBondContact SG-NE2 3.13Å; C552-H565 VanDerWaalsContact SG-NE2 3.36Å
553	G	73.2	Confident	73.2	Confident	59 Å²	59	89.5 Å²	89.5	61%	0.608	45%	0.45	S	S	*	.			trans	65.4	-12.8	176.2	0	0	0	0	0	116.8	C549 S555	C549-G553 WeakPolarHBondContact O-CA 3.29Å; C549-G553 PolarHBondContact O-N 2.6Å; G553-S555 PolarHBondContact O-N 3.28Å; G553-S555 VanDerWaalsContact O-N 3.12Å
554	K	76.6	Confident	74.3	Confident	132 Å²	132	90.2 Å²	90.2	57%	0.574	44%	0.437	S	S	*	.			trans	-63.2	115.4	-171.6	-72.4	179.9	-175.8	179.1	0	111.1	C549 C552	C549-K554 WeakPolarHBondContact CB-O 3.43Å; C549-K554 PolarHBondContact N-O 3.1Å; C552-K554 PolarHBondContact O-N 3.42Å
555	S	77.2	Confident	75.4	Confident	56 Å²	56	84.2 Å²	84.2	39%	0.392	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	130.9	175.4	53.9	0	0	0	0	110.8	R545 G553	R545-S555 WeakPolarHBondContact CD-OG 3.46Å; G553-S555 PolarHBondContact O-N 3.28Å; G553-S555 VanDerWaalsContact O-N 3.12Å
556	V	76.7	Confident	76.5	Confident	35 Å²	35	79.8 Å²	79.8	21%	0.212	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	158.6	-175.7	-144.6	0	0	0	0	109.5	W547 T561 L562	W547-V556 PolarHBondContact N-O 2.68Å; W547-V556 VanDerWaalsContact N-O 3.17Å; W547-V556 PolarHBondContact O-N 3.22Å; V556-T561 WeakPolarHBondContact CG1-OG1 3.11Å; V556-L562 HydrophobicContact CG2-CB 4.41Å; V556-L562 HydrophobicContact CG2-CD1 4.19Å
557	R	69.9	Low	77.4	Confident	129 Å²	129	77.2 Å²	77.2	49%	0.487	39%	0.385	S	S	.	.	S	Bend	trans	-89.5	-42.5	-171.3	-66.1	-177.6	-79.5	-154	-2.3	113.2	C539 R545	C539-R557 WeakPolarHBondContact O-CD 3.45Å; C539-R557 PolarHBondContact O-NE 3.48Å; C539-R557 PolarHBondContact O-NH1 3.11Å; R545-R557 HydrophobicContact CG-CG 4.18Å
558	E	74.4	Confident	78	Confident	52 Å²	52	77.8 Å²	77.8	24%	0.243	39%	0.393	C	S	.	.			trans	-106.8	140.8	178.6	-50.3	-172.7	157.3	0	0	112.4	R535 T560 T561 L562	R535-E558 WeakPolarHBondContact CD-OE1 3.46Å; R535-E558 IonicContact CZ-OE1 3.97Å; R535-E558 IonicContact NE-OE1 2.68Å; R535-E558 IonicContact NH1-OE1 3.22Å; R535-E558 PolarHBondContact NH1-OE1 2.94Å; E558-T560 WeakPolarHBondContact CB-OG1 3.42Å; E558-T560 PolarHBondContact O-N 3.45Å; E558-T560 PolarHBondContact OE2-OG1 3.34Å; E558-T561 HydrophobicContact CB-CG2 4.19Å; E558-T561 PolarHBondContact N-OG1 3.37Å; E558-T561 PolarHBondContact O-N 3.46Å; E558-T561 PolarHBondContact O-OG1 3.24Å; E558-L562 PolarHBondContact O-N 2.89Å
559	R	75.6	Confident	78.3	Confident	149 Å²	149	76.4 Å²	76.4	56%	0.562	38%	0.38	S	S	*	.	H	α-helix	trans	-59	-31.9	174	-169.1	-172	-67.6	158.4	-2.5	112.9	W547 K563	W547-R559 HydrophobicContact CD2-CB 3.94Å; W547-R559 HydrophobicContact CD2-CG 4.15Å; W547-R559 HydrophobicContact CE3-CB 4.38Å; W547-R559 HydrophobicContact CE3-CG 4.07Å; W547-R559 HydrophobicContact CG-CB 4.31Å; W547-R559 HydrophobicContact CZ2-CB 4.39Å; W547-R559 VanDerWaalsContact CZ2-NE 3.3Å; W547-R559 HydrophobicContact CZ3-CG 4.25Å; R559-K563 WeakPolarHBondContact O-CG 3.21Å; R559-K563 PolarHBondContact O-N 3.08Å
560	T	78.5	Confident	78.2	Confident	89 Å²	89	79.8 Å²	79.8	55%	0.546	40%	0.403	S	S	.	.	H	α-helix	trans	-56.3	-56	169.3	35.8	0	0	0	0	110.9	E558 L562 K563 E564	E558-T560 WeakPolarHBondContact CB-OG1 3.42Å; E558-T560 PolarHBondContact O-N 3.45Å; E558-T560 PolarHBondContact OE2-OG1 3.34Å; T560-L562 VanDerWaalsContact C-N 3.33Å; T560-L562 PolarHBondContact O-N 2.96Å; T560-K563 PolarHBondContact O-N 2.93Å; T560-E564 WeakPolarHBondContact O-CB 3.49Å; T560-E564 PolarHBondContact O-N 3.32Å
561	T	81.6	Confident	78.5	Confident	46 Å²	46	73.9 Å²	73.9	28%	0.282	39%	0.39	S	S	.	.	H	α-helix	trans	-65.4	-32	179.7	59.5	0	0	0	0	113	V556 E558 H565	V556-T561 WeakPolarHBondContact CG1-OG1 3.11Å; E558-T561 HydrophobicContact CB-CG2 4.19Å; E558-T561 PolarHBondContact N-OG1 3.37Å; E558-T561 PolarHBondContact O-N 3.46Å; E558-T561 PolarHBondContact O-OG1 3.24Å; T561-H565 WeakPolarHBondContact O-CB 3.46Å; T561-H565 PolarHBondContact O-N 3.49Å
562	L	81.3	Confident	78.6	Confident	18 Å²	18	74.4 Å²	74.4	9%	0.094	39%	0.391	C	S	.	.	H	α-helix	trans	-66.7	-48.3	170.5	177.4	61.9	0	0	0	111.8	W547 T548 C549 V556 E558 T560 E564 H565 L566	W547-L562 HydrophobicContact CB-CB 4.03Å; W547-L562 HydrophobicContact CB-CD2 3.8Å; W547-L562 HydrophobicContact CB-CG 4.5Å; W547-L562 HydrophobicContact CE3-CD2 4.26Å; T548-L562 WeakPolarHBondContact O-CD2 3.49Å; C549-L562 HydrophobicContact CB-CD1 3.75Å; V556-L562 HydrophobicContact CG2-CB 4.41Å; V556-L562 HydrophobicContact CG2-CD1 4.19Å; E558-L562 PolarHBondContact O-N 2.89Å; T560-L562 VanDerWaalsContact C-N 3.33Å; T560-L562 PolarHBondContact O-N 2.96Å; L562-E564 VanDerWaalsContact C-N 3.27Å; L562-E564 PolarHBondContact O-N 2.92Å; L562-H565 CarbonylContact O-C 3.51Å; L562-H565 WeakPolarHBondContact O-CA 3.49Å; L562-H565 WeakPolarHBondContact O-CB 3.41Å; L562-H565 PolarHBondContact O-N 3.32Å; L562-H565 VanDerWaalsContact O-N 3.07Å; L562-L566 HydrophobicContact CD1-CG 4.25Å; L562-L566 HydrophobicContact CG-CD1 4.37Å; L562-L566 HydrophobicContact CG-CG 4.45Å; L562-L566 WeakPolarHBondContact O-CG 3.45Å; L562-L566 PolarHBondContact O-N 3.29Å
563	K	80.8	Confident	79.1	Confident	146 Å²	146	77.1 Å²	77.1	64%	0.635	40%	0.397	S	S	*	.	H	α-helix	trans	-57.8	-42.8	175.3	-79.3	-171.2	173.4	-166.6	0	111.9	R559 T560 H565 L566	R559-K563 WeakPolarHBondContact O-CG 3.21Å; R559-K563 PolarHBondContact O-N 3.08Å; T560-K563 PolarHBondContact O-N 2.93Å; K563-H565 VanDerWaalsContact C-N 3.31Å; K563-H565 PolarHBondContact O-N 3.36Å; K563-L566 PolarHBondContact O-N 2.54Å
564	E	82	Confident	79.5	Confident	78 Å²	78	77.7 Å²	77.7	36%	0.364	39%	0.39	S	S	.	.	H	α-helix	trans	-64.7	-36.5	175.9	-174.1	171.2	-129.3	0	0	111.7	T560 L562 R585 H586	T560-E564 WeakPolarHBondContact O-CB 3.49Å; T560-E564 PolarHBondContact O-N 3.32Å; L562-E564 VanDerWaalsContact C-N 3.27Å; L562-E564 PolarHBondContact O-N 2.92Å; E564-R585 VanDerWaalsContact O-CZ 3.26Å; E564-R585 PolarHBondContact O-NE 3.39Å; E564-R585 PolarHBondContact O-NH2 3.36Å; E564-H586 IonicContact OE1-CE1 2.65Å; E564-H586 IonicContact OE1-CG 3.34Å; E564-H586 IonicContact OE1-ND1 3.75Å; E564-H586 PolarHBondContact OE1-ND1 2.91Å; E564-H586 IonicContact OE2-ND1 3.5Å
565	H	82.6	Confident	79.8	Confident	29 Å²	29	74.3 Å²	74.3	13%	0.134	38%	0.376	C	S	.	.	H	α-helix	trans	-68.3	-38.9	174.3	172.1	76.9	0	0	0	113.4	C549 C552 T561 L562 K563 R567 I568 H569 R585	C549-H565 PolarHBondContact SG-CD2 2.92Å; C549-H565 PolarHBondContact SG-NE2 3.21Å; C552-H565 PolarHBondContact SG-NE2 3.13Å; C552-H565 VanDerWaalsContact SG-NE2 3.36Å; T561-H565 WeakPolarHBondContact O-CB 3.46Å; T561-H565 PolarHBondContact O-N 3.49Å; L562-H565 CarbonylContact O-C 3.51Å; L562-H565 WeakPolarHBondContact O-CA 3.49Å; L562-H565 WeakPolarHBondContact O-CB 3.41Å; L562-H565 PolarHBondContact O-N 3.32Å; L562-H565 VanDerWaalsContact O-N 3.07Å; K563-H565 VanDerWaalsContact C-N 3.31Å; K563-H565 PolarHBondContact O-N 3.36Å; H565-R567 PolarHBondContact O-N 2.91Å; H565-R567 VanDerWaalsContact O-N 3.08Å; H565-I568 WeakPolarHBondContact O-CG1 3.27Å; H565-I568 PolarHBondContact O-N 2.88Å; H565-H569 AromaticContact CD2-NE2 3.96Å; H565-H569 AromaticContact CE1-NE2 3.77Å; H565-H569 AromaticContact NE2-NE2 3.13Å; H565-H569 PolarHBondContact NE2-NE2 3.43Å; H565-H569 VanDerWaalsContact NE2-NE2 3.13Å; H565-R585 PolarHBondContact O-NH2 3.41Å
566	L	81.8	Confident	80.2	Confident	48 Å²	48	77 Å²	77	25%	0.251	39%	0.386	S	S	.	.	H	α-helix	trans	-58.2	-26.3	-179.5	-73.6	171.4	0	0	0	113.1	F550 L562 K563 I568 H569 S570	F550-L566 HydrophobicContact CD1-CD2 4.07Å; F550-L566 HydrophobicContact CE1-CD1 4.49Å; F550-L566 HydrophobicContact CE1-CD2 3.61Å; F550-L566 HydrophobicContact CZ-CD2 4.46Å; L562-L566 HydrophobicContact CD1-CG 4.25Å; L562-L566 HydrophobicContact CG-CD1 4.37Å; L562-L566 HydrophobicContact CG-CG 4.45Å; L562-L566 WeakPolarHBondContact O-CG 3.45Å; L562-L566 PolarHBondContact O-N 3.29Å; K563-L566 PolarHBondContact O-N 2.54Å; L566-I568 PolarHBondContact O-N 3.12Å; L566-H569 PolarHBondContact O-N 2.91Å; L566-S570 PolarHBondContact O-N 3.3Å
567	R	84.6	Confident	80.7	Confident	71 Å²	71	75.4 Å²	75.4	27%	0.268	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-0.1	169	-55.8	-178.5	-178	159.9	1.1	115.3	H565 E572 R585	H565-R567 PolarHBondContact O-N 2.91Å; H565-R567 VanDerWaalsContact O-N 3.08Å; R567-E572 HydrophobicContact CB-CB 4.23Å; R567-E572 HydrophobicContact CG-CB 4.02Å; R567-R585 VanDerWaalsContact C-NH1 3.31Å; R567-R585 VanDerWaalsContact C-NH2 3.3Å; R567-R585 HydrophobicContact CB-CG 3.61Å; R567-R585 HydrophobicContact CG-CG 4.46Å; R567-R585 PolarHBondContact NH1-O 3.09Å; R567-R585 PolarHBondContact O-NH1 3.07Å; R567-R585 VanDerWaalsContact O-NH1 3.09Å
568	I	82.7	Confident	81.3	Confident	93 Å²	93	75 Å²	75	48%	0.477	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-51.9	165	-60.4	-169.1	0	0	0	106.8	H565 L566 G571	H565-I568 WeakPolarHBondContact O-CG1 3.27Å; H565-I568 PolarHBondContact O-N 2.88Å; L566-I568 PolarHBondContact O-N 3.12Å; I568-G571 PolarHBondContact O-N 3.21Å
569	H	80.1	Confident	81.7	Confident	65 Å²	65	77.1 Å²	77.1	30%	0.301	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-36.8	-169.6	-45.2	-57.4	0	0	0	111.7	C549 I551 H565 L566 G571	C549-H569 PolarHBondContact SG-NE2 3.03Å; C549-H569 VanDerWaalsContact SG-NE2 3.45Å; I551-H569 HydrophobicContact CB-CB 4.39Å; I551-H569 HydrophobicContact CD1-CB 3.41Å; I551-H569 VanDerWaalsContact CD1-CB 3.41Å; I551-H569 HydrophobicContact CG1-CB 4.46Å; I551-H569 HydrophobicContact CG2-CB 4.01Å; H565-H569 AromaticContact CD2-NE2 3.96Å; H565-H569 AromaticContact CE1-NE2 3.77Å; H565-H569 AromaticContact NE2-NE2 3.13Å; H565-H569 PolarHBondContact NE2-NE2 3.43Å; H565-H569 VanDerWaalsContact NE2-NE2 3.13Å; L566-H569 PolarHBondContact O-N 2.91Å; H569-G571 PolarHBondContact O-N 2.61Å
570	S	78	Confident	82.1	Confident	72 Å²	72	72.7 Å²	72.7	50%	0.503	40%	0.396	S	S	.	.	S	Bend	trans	-72.5	-12.2	173.6	-161	0	0	0	0	113.4	L566 E572	L566-S570 PolarHBondContact O-N 3.3Å; S570-E572 VanDerWaalsContact CB-OE1 3.31Å; S570-E572 WeakPolarHBondContact CB-OE1 3.16Å; S570-E572 PolarHBondContact O-N 3.45Å; S570-E572 PolarHBondContact OG-OE1 2.99Å
571	G	80.2	Confident	82.3	Confident	46 Å²	46	70.9 Å²	70.9	47%	0.474	40%	0.395	S	S	.	.			trans	66.2	-11	-175	0	0	0	0	0	116.2	I568 H569 K573	I568-G571 PolarHBondContact O-N 3.21Å; H569-G571 PolarHBondContact O-N 2.61Å; G571-K573 WeakPolarHBondContact O-CG 3.23Å; G571-K573 PolarHBondContact O-N 3.13Å
572	E	79.6	Confident	82.4	Confident	100 Å²	100	73.7 Å²	73.7	47%	0.467	41%	0.405	S	S	.	.			trans	-45.1	119.2	-178.5	-80.7	169.7	-121.1	0	0	114.7	R567 S570 P574 R585	R567-E572 HydrophobicContact CB-CB 4.23Å; R567-E572 HydrophobicContact CG-CB 4.02Å; S570-E572 VanDerWaalsContact CB-OE1 3.31Å; S570-E572 WeakPolarHBondContact CB-OE1 3.16Å; S570-E572 PolarHBondContact O-N 3.45Å; S570-E572 PolarHBondContact OG-OE1 2.99Å; E572-P574 WeakPolarHBondContact O-CD 3.06Å; E572-R585 WeakPolarHBondContact O-CB 3.33Å; E572-R585 VanDerWaalsContact O-CG 3.31Å; E572-R585 WeakPolarHBondContact O-CG 3.49Å
573	K	83.3	Confident	82.6	Confident	107 Å²	107	74.6 Å²	74.6	47%	0.465	41%	0.413	S	S	.	.			trans	-123.2	73.2	176.1	-71.1	158.1	163.3	-161.9	0	111.1	G571 H575 S583 F584 R585	G571-K573 WeakPolarHBondContact O-CG 3.23Å; G571-K573 PolarHBondContact O-N 3.13Å; K573-H575 PolarHBondContact O-N 3.27Å; K573-S583 WeakPolarHBondContact CD-O 3.37Å; K573-S583 WeakPolarHBondContact CD-OG 3.39Å; K573-S583 PolarHBondContact NZ-OG 3.49Å; K573-F584 CarbonylContact C-O 3.3Å; K573-F584 WeakPolarHBondContact CA-O 3.14Å; K573-R585 HydrophobicContact CG-CB 4.04Å
574	P	81.7	Confident	82.8	Confident	71 Å²	71	69.7 Å²	69.7	46%	0.461	39%	0.392	S	S	.	.			trans	-70.9	2.3	-171	29.1	-37.5	0	0	0	115.5	E572	E572-P574 WeakPolarHBondContact O-CD 3.06Å
575	H	82.5	Confident	82.9	Confident	60 Å²	60	68 Å²	68	28%	0.278	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	89.6	178.1	-55.1	-69	0	0	0	110.3	K573 F584 H586 G587 Y590	K573-H575 PolarHBondContact O-N 3.27Å; H575-F584 HydrophobicContact CB-CB 4.23Å; H575-F584 WeakPolarHBondContact CB-O 3.48Å; H575-F584 PolarHBondContact N-O 3.11Å; H575-F584 PolarHBondContact O-N 3.43Å; H575-H586 VanDerWaalsContact CD2-C 3.46Å; H575-G587 PolarHBondContact CD2-N 2.92Å; H575-G587 PolarHBondContact NE2-N 3.09Å; H575-Y590 HydrophobicContact CB-CD1 3.88Å; H575-Y590 HydrophobicContact CB-CD2 4.47Å; H575-Y590 HydrophobicContact CB-CG 3.76Å
576	L	86.4	Confident	82.9	Confident	114 Å²	114	69.3 Å²	69.3	60%	0.597	39%	0.388	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.2	140.1	174.3	-73.9	158	0	0	0	110.7	Y590	L576-Y590 WeakPolarHBondContact O-CE2 3.38Å; L576-Y590 PolarHBondContact O-OH 3.15Å
577	C	88.3	Confident	83	Confident	1 Å²	1	68 Å²	68	1%	0.007	39%	0.386	C	S	.	.			trans	-94	116.5	170.8	-175	0	0	0	0	111.2	I579 C580 G581 Q582 F584 Y590 H597	C577-I579 PolarHBondContact O-N 3.42Å; C577-C580 PolarHBondContact O-N 3.26Å; C577-G581 VanDerWaalsContact O-CA 3.31Å; C577-G581 WeakPolarHBondContact O-CA 3.22Å; C577-G581 PolarHBondContact O-N 3.36Å; C577-Q582 WeakPolarHBondContact CB-O 3.24Å; C577-Q582 PolarHBondContact N-O 3.37Å; C577-F584 HydrophobicContact CB-CE2 4.35Å; C577-Y590 HydrophobicContact CB-CD2 4.41Å; C577-Y590 HydrophobicContact CB-CE2 3.75Å; C577-H597 PolarHBondContact SG-NE2 3.28Å; C577-H597 VanDerWaalsContact SG-NE2 3.41Å
578	S	81.9	Confident	82.9	Confident	119 Å²	119	67.9 Å²	67.9	83%	0.832	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-21.8	179.5	-43.2	0	0	0	0	114.2
579	I	83.3	Confident	83	Confident	97 Å²	97	65.5 Å²	65.5	50%	0.497	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-28.9	-173	-56.3	173.5	0	0	0	112.1	C577 H597	C577-I579 PolarHBondContact O-N 3.42Å; I579-H597 HydrophobicContact CD1-CB 3.61Å; I579-H597 HydrophobicContact CG2-CB 4.22Å
580	C	82.1	Confident	83.3	Confident	56 Å²	56	64.7 Å²	64.7	38%	0.378	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-144.2	13.3	-177	70.3	0	0	0	0	115.2	C577 Q582 H593 H597	C577-C580 PolarHBondContact O-N 3.26Å; C580-Q582 PolarHBondContact O-N 3.39Å; C580-H593 PolarHBondContact SG-NE2 3.17Å; C580-H597 VanDerWaalsContact SG-CE1 3.56Å; C580-H597 PolarHBondContact SG-NE2 3.14Å; C580-H597 VanDerWaalsContact SG-NE2 3.41Å
581	G	82.7	Confident	83.6	Confident	52 Å²	52	69.2 Å²	69.2	54%	0.536	39%	0.389	S	S	.	.			trans	67.7	-4.6	179.8	0	0	0	0	0	115.7	C577 S583	C577-G581 VanDerWaalsContact O-CA 3.31Å; C577-G581 WeakPolarHBondContact O-CA 3.22Å; C577-G581 PolarHBondContact O-N 3.36Å; G581-S583 PolarHBondContact O-N 3.33Å
582	Q	84.7	Confident	83.7	Confident	105 Å²	105	69.2 Å²	69.2	49%	0.491	38%	0.378	S	S	.	.			trans	-64.3	132.2	-175.8	-75.2	-63.5	-32.8	0	0	112	C577 C580 F584	C577-Q582 WeakPolarHBondContact CB-O 3.24Å; C577-Q582 PolarHBondContact N-O 3.37Å; C580-Q582 PolarHBondContact O-N 3.39Å; Q582-F584 HydrophobicContact CB-CE2 3.53Å; Q582-F584 HydrophobicContact CB-CZ 3.8Å; Q582-F584 WeakPolarHBondContact O-CD2 3.41Å; Q582-F584 WeakPolarHBondContact O-CE2 3.37Å
583	S	85.9	Confident	84	Confident	37 Å²	37	66 Å²	66	26%	0.259	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	117	-168.7	45.9	0	0	0	0	110.9	K573 G581	K573-S583 WeakPolarHBondContact CD-O 3.37Å; K573-S583 WeakPolarHBondContact CD-OG 3.39Å; K573-S583 PolarHBondContact NZ-OG 3.49Å; G581-S583 PolarHBondContact O-N 3.33Å
584	F	84.8	Confident	84	Confident	42 Å²	42	62.9 Å²	62.9	18%	0.184	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	141.9	-174.1	-61.2	-88.1	0	0	0	112	K573 H575 C577 Q582 Y590 H593	K573-F584 CarbonylContact C-O 3.3Å; K573-F584 WeakPolarHBondContact CA-O 3.14Å; H575-F584 HydrophobicContact CB-CB 4.23Å; H575-F584 WeakPolarHBondContact CB-O 3.48Å; H575-F584 PolarHBondContact N-O 3.11Å; H575-F584 PolarHBondContact O-N 3.43Å; C577-F584 HydrophobicContact CB-CE2 4.35Å; Q582-F584 HydrophobicContact CB-CE2 3.53Å; Q582-F584 HydrophobicContact CB-CZ 3.8Å; Q582-F584 WeakPolarHBondContact O-CD2 3.41Å; Q582-F584 WeakPolarHBondContact O-CE2 3.37Å; F584-Y590 AromaticContact CD2-CD2 3.97Å; F584-Y590 HydrophobicContact CD2-CD2 3.97Å; F584-H593 HydrophobicContact CE1-CB 3.92Å; F584-H593 HydrophobicContact CE2-CB 3.88Å; F584-H593 AromaticContact CE2-CD2 3.17Å; F584-H593 WeakPolarHBondContact CE2-CD2 3.2Å; F584-H593 AromaticContact CE2-CG 3.5Å; F584-H593 VanDerWaalsContact CE2-CG 3.5Å; F584-H593 AromaticContact CE2-NE2 3.77Å; F584-H593 HydrophobicContact CZ-CB 3.52Å; F584-H593 AromaticContact CZ-CD2 3.4Å; F584-H593 WeakPolarHBondContact CZ-CD2 3.19Å; F584-H593 AromaticContact CZ-CG 3.21Å; F584-H593 AromaticContact CZ-ND1 3.67Å; F584-H593 AromaticContact CZ-NE2 3.89Å
585	R	83.8	Confident	84	Confident	43 Å²	43	62.7 Å²	62.7	16%	0.162	34%	0.341	C	S	.	.	S	Bend	trans	-92.8	-16.2	-176.6	170.5	-87.5	-162.1	69.9	-1.6	114.1	E564 H565 R567 E572 K573	E564-R585 VanDerWaalsContact O-CZ 3.26Å; E564-R585 PolarHBondContact O-NE 3.39Å; E564-R585 PolarHBondContact O-NH2 3.36Å; H565-R585 PolarHBondContact O-NH2 3.41Å; R567-R585 VanDerWaalsContact C-NH1 3.31Å; R567-R585 VanDerWaalsContact C-NH2 3.3Å; R567-R585 HydrophobicContact CB-CG 3.61Å; R567-R585 HydrophobicContact CG-CG 4.46Å; R567-R585 PolarHBondContact NH1-O 3.09Å; R567-R585 PolarHBondContact O-NH1 3.07Å; R567-R585 VanDerWaalsContact O-NH1 3.09Å; E572-R585 WeakPolarHBondContact O-CB 3.33Å; E572-R585 VanDerWaalsContact O-CG 3.31Å; E572-R585 WeakPolarHBondContact O-CG 3.49Å; K573-R585 HydrophobicContact CG-CB 4.04Å
586	H	83.1	Confident	83.9	Confident	56 Å²	56	63.3 Å²	63.3	26%	0.259	35%	0.349	S	S	.	.	S	Bend	trans	-123.4	134.9	174.9	-52.9	-88.8	0	0	0	110.7	E564 H575 S588 S589 Y590	E564-H586 IonicContact OE1-CE1 2.65Å; E564-H586 IonicContact OE1-CG 3.34Å; E564-H586 IonicContact OE1-ND1 3.75Å; E564-H586 PolarHBondContact OE1-ND1 2.91Å; E564-H586 IonicContact OE2-ND1 3.5Å; H575-H586 VanDerWaalsContact CD2-C 3.46Å; H586-S588 PolarHBondContact O-N 2.82Å; H586-S589 WeakPolarHBondContact O-CB 3.45Å; H586-S589 PolarHBondContact O-N 3.01Å; H586-Y590 PolarHBondContact O-N 3.17Å
587	G	83.6	Confident	83.5	Confident	21 Å²	21	60.9 Å²	60.9	22%	0.216	33%	0.334	C	S	.	.	H	α-helix	trans	-68.9	-16.4	177.5	0	0	0	0	0	114.2	H575 R591	H575-G587 PolarHBondContact CD2-N 2.92Å; H575-G587 PolarHBondContact NE2-N 3.09Å; G587-R591 WeakPolarHBondContact O-CG 3.21Å; G587-R591 PolarHBondContact O-N 3.02Å; G587-R591 PolarHBondContact O-NE 3.35Å; G587-R591 VanDerWaalsContact O-NE 3.15Å
588	S	83.3	Confident	82.8	Confident	69 Å²	69	67.5 Å²	67.5	48%	0.483	37%	0.365	S	S	.	.	H	α-helix	trans	-73.1	-46.9	168.5	49.1	0	0	0	0	111.5	H586 Y590 R591 L592	H586-S588 PolarHBondContact O-N 2.82Å; S588-Y590 VanDerWaalsContact C-N 3.29Å; S588-Y590 PolarHBondContact O-N 2.84Å; S588-R591 PolarHBondContact O-N 3.21Å; S588-L592 WeakPolarHBondContact O-CB 3.41Å; S588-L592 PolarHBondContact O-N 2.85Å
589	S	84.5	Confident	82	Confident	43 Å²	43	66.7 Å²	66.7	30%	0.301	35%	0.351	S	S	.	.	H	α-helix	trans	-61.1	-37.7	173	-53.9	0	0	0	0	112	H586 L592 H593	H586-S589 WeakPolarHBondContact O-CB 3.45Å; H586-S589 PolarHBondContact O-N 3.01Å; S589-L592 WeakPolarHBondContact O-CB 3.5Å; S589-L592 PolarHBondContact O-N 3.48Å; S589-H593 WeakPolarHBondContact O-CB 3.4Å; S589-H593 PolarHBondContact O-N 3.33Å
590	Y	86.8	Confident	81.4	Confident	47 Å²	47	63.9 Å²	63.9	18%	0.184	34%	0.337	C	S	.	.	H	α-helix	trans	-64.2	-50.6	175.7	179.7	-133.9	0	0	0	112.6	H575 L576 C577 F584 H586 S588 L592 H593 L594	H575-Y590 HydrophobicContact CB-CD1 3.88Å; H575-Y590 HydrophobicContact CB-CD2 4.47Å; H575-Y590 HydrophobicContact CB-CG 3.76Å; L576-Y590 WeakPolarHBondContact O-CE2 3.38Å; L576-Y590 PolarHBondContact O-OH 3.15Å; C577-Y590 HydrophobicContact CB-CD2 4.41Å; C577-Y590 HydrophobicContact CB-CE2 3.75Å; F584-Y590 AromaticContact CD2-CD2 3.97Å; F584-Y590 HydrophobicContact CD2-CD2 3.97Å; H586-Y590 PolarHBondContact O-N 3.17Å; S588-Y590 VanDerWaalsContact C-N 3.29Å; S588-Y590 PolarHBondContact O-N 2.84Å; Y590-L592 VanDerWaalsContact C-N 3.25Å; Y590-L592 PolarHBondContact O-N 2.95Å; Y590-H593 WeakPolarHBondContact O-CA 3.37Å; Y590-H593 WeakPolarHBondContact O-CB 3.5Å; Y590-H593 PolarHBondContact O-N 3.07Å; Y590-L594 HydrophobicContact CD1-CD1 4.45Å; Y590-L594 HydrophobicContact CD2-CG 4.2Å; Y590-L594 HydrophobicContact CE1-CD1 3.92Å; Y590-L594 HydrophobicContact CE2-CD1 4.01Å; Y590-L594 HydrophobicContact CE2-CD2 3.71Å; Y590-L594 HydrophobicContact CE2-CG 3.7Å; Y590-L594 PolarHBondContact O-N 2.79Å
591	R	83.6	Confident	80.5	Confident	168 Å²	168	64.9 Å²	64.9	63%	0.634	34%	0.335	S	S	*	.	H	α-helix	trans	-65.4	-25.5	175.8	-72.8	179.7	-66.9	135.6	-6.6	113.8	G587 S588 R595	G587-R591 WeakPolarHBondContact O-CG 3.21Å; G587-R591 PolarHBondContact O-N 3.02Å; G587-R591 PolarHBondContact O-NE 3.35Å; G587-R591 VanDerWaalsContact O-NE 3.15Å; S588-R591 PolarHBondContact O-N 3.21Å; R591-R595 PolarHBondContact O-NE 2.88Å
592	L	82.9	Confident	79.9	Confident	46 Å²	46	70.9 Å²	70.9	24%	0.241	34%	0.341	C	S	.	.	H	α-helix	trans	-69	-42.6	168.1	171.4	63.4	0	0	0	111.3	S588 S589 Y590 R595 I613 R614	S588-L592 WeakPolarHBondContact O-CB 3.41Å; S588-L592 PolarHBondContact O-N 2.85Å; S589-L592 WeakPolarHBondContact O-CB 3.5Å; S589-L592 PolarHBondContact O-N 3.48Å; Y590-L592 VanDerWaalsContact C-N 3.25Å; Y590-L592 PolarHBondContact O-N 2.95Å; L592-R595 PolarHBondContact O-N 3.03Å; L592-I613 HydrophobicContact CD1-CG2 3.85Å; L592-R614 HydrophobicContact CD1-CG 3.51Å
593	H	84.4	Confident	79.4	Confident	31 Å²	31	69.9 Å²	69.9	14%	0.144	33%	0.334	C	S	.	.	H	α-helix	trans	-69.3	-38.5	179.7	173.6	64.1	0	0	0	113.2	C580 F584 S589 Y590 R595 V596 H597	C580-H593 PolarHBondContact SG-NE2 3.17Å; F584-H593 HydrophobicContact CE1-CB 3.92Å; F584-H593 HydrophobicContact CE2-CB 3.88Å; F584-H593 AromaticContact CE2-CD2 3.17Å; F584-H593 WeakPolarHBondContact CE2-CD2 3.2Å; F584-H593 AromaticContact CE2-CG 3.5Å; F584-H593 VanDerWaalsContact CE2-CG 3.5Å; F584-H593 AromaticContact CE2-NE2 3.77Å; F584-H593 HydrophobicContact CZ-CB 3.52Å; F584-H593 AromaticContact CZ-CD2 3.4Å; F584-H593 WeakPolarHBondContact CZ-CD2 3.19Å; F584-H593 AromaticContact CZ-CG 3.21Å; F584-H593 AromaticContact CZ-ND1 3.67Å; F584-H593 AromaticContact CZ-NE2 3.89Å; S589-H593 WeakPolarHBondContact O-CB 3.4Å; S589-H593 PolarHBondContact O-N 3.33Å; Y590-H593 WeakPolarHBondContact O-CA 3.37Å; Y590-H593 WeakPolarHBondContact O-CB 3.5Å; Y590-H593 PolarHBondContact O-N 3.07Å; H593-R595 PolarHBondContact O-N 2.93Å; H593-V596 WeakPolarHBondContact O-CB 3.32Å; H593-V596 WeakPolarHBondContact O-CG2 3.44Å; H593-V596 PolarHBondContact O-N 2.89Å; H593-H597 AromaticContact CD2-NE2 3.81Å; H593-H597 AromaticContact CE1-CE1 3.93Å; H593-H597 AromaticContact CE1-NE2 3.33Å; H593-H597 PolarHBondContact CE1-NE2 3.15Å; H593-H597 VanDerWaalsContact CE1-NE2 3.33Å; H593-H597 AromaticContact NE2-CD2 3.79Å; H593-H597 AromaticContact NE2-CE1 3.9Å; H593-H597 AromaticContact NE2-NE2 2.97Å; H593-H597 PolarHBondContact NE2-NE2 3.36Å
594	L	83.4	Confident	79.2	Confident	42 Å²	42	73.1 Å²	73.1	22%	0.22	35%	0.345	C	S	.	.	H	α-helix	trans	-57.5	-33.4	176.1	-72.7	177.4	0	0	0	113	Y590 V596 H597 H598	Y590-L594 HydrophobicContact CD1-CD1 4.45Å; Y590-L594 HydrophobicContact CD2-CG 4.2Å; Y590-L594 HydrophobicContact CE1-CD1 3.92Å; Y590-L594 HydrophobicContact CE2-CD1 4.01Å; Y590-L594 HydrophobicContact CE2-CD2 3.71Å; Y590-L594 HydrophobicContact CE2-CG 3.7Å; Y590-L594 PolarHBondContact O-N 2.79Å; L594-V596 PolarHBondContact O-N 3.4Å; L594-H597 PolarHBondContact O-N 2.9Å; L594-H598 PolarHBondContact O-CD2 2.9Å; L594-H598 PolarHBondContact O-N 2.83Å
595	R	81.8	Confident	79.2	Confident	68 Å²	68	71.1 Å²	71.1	26%	0.257	34%	0.336	S	S	.	.	H	α-helix	trans	-68.8	-10.6	175.1	-70.8	-174.6	-72.4	140.4	-0.4	114.3	R591 L592 H593 D600 I613	R591-R595 PolarHBondContact O-NE 2.88Å; L592-R595 PolarHBondContact O-N 3.03Å; H593-R595 PolarHBondContact O-N 2.93Å; R595-D600 HydrophobicContact CB-CB 4Å; R595-D600 WeakPolarHBondContact CD-OD2 3.13Å; R595-D600 HydrophobicContact CG-CB 3.95Å; R595-D600 WeakPolarHBondContact CG-OD2 3.29Å; R595-D600 PolarHBondContact O-N 3.12Å; R595-D600 VanDerWaalsContact O-N 3.11Å; R595-I613 HydrophobicContact CB-CG2 3.65Å; R595-I613 PolarHBondContact NH1-O 2.84Å
596	V	79.8	Confident	78.9	Confident	73 Å²	73	75 Å²	75	44%	0.442	36%	0.36	S	S	.	.	H	α-helix	trans	-75	-35.3	168.1	-172.8	0	0	0	0	110.9	H593 L594 I613	H593-V596 WeakPolarHBondContact O-CB 3.32Å; H593-V596 WeakPolarHBondContact O-CG2 3.44Å; H593-V596 PolarHBondContact O-N 2.89Å; L594-V596 PolarHBondContact O-N 3.4Å; V596-I613 HydrophobicContact CB-CD1 4.3Å; V596-I613 HydrophobicContact CG2-CD1 3.71Å
597	H	79.2	Confident	78.6	Confident	63 Å²	63	77 Å²	77	29%	0.292	37%	0.37	S	S	.	.	H	α-helix	trans	-82.5	-30	-177.6	-62.4	-60	0	0	0	113.6	C577 I579 C580 H593 L594 D599	C577-H597 PolarHBondContact SG-NE2 3.28Å; C577-H597 VanDerWaalsContact SG-NE2 3.41Å; I579-H597 HydrophobicContact CD1-CB 3.61Å; I579-H597 HydrophobicContact CG2-CB 4.22Å; C580-H597 VanDerWaalsContact SG-CE1 3.56Å; C580-H597 PolarHBondContact SG-NE2 3.14Å; C580-H597 VanDerWaalsContact SG-NE2 3.41Å; H593-H597 AromaticContact CD2-NE2 3.81Å; H593-H597 AromaticContact CE1-CE1 3.93Å; H593-H597 AromaticContact CE1-NE2 3.33Å; H593-H597 PolarHBondContact CE1-NE2 3.15Å; H593-H597 VanDerWaalsContact CE1-NE2 3.33Å; H593-H597 AromaticContact NE2-CD2 3.79Å; H593-H597 AromaticContact NE2-CE1 3.9Å; H593-H597 AromaticContact NE2-NE2 2.97Å; H593-H597 PolarHBondContact NE2-NE2 3.36Å; L594-H597 PolarHBondContact O-N 2.9Å; H597-D599 VanDerWaalsContact C-N 3.3Å
598	H	72.7	Confident	78.3	Confident	139 Å²	139	78.1 Å²	78.1	64%	0.644	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.7	7.1	174.1	-65.7	-72.7	0	0	0	113.3	L594 D600	L594-H598 PolarHBondContact O-CD2 2.9Å; L594-H598 PolarHBondContact O-N 2.83Å; H598-D600 PolarHBondContact O-N 2.96Å
599	D	66.5	Low	78	Confident	102 Å²	102	76.8 Å²	76.8	55%	0.545	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.1	32.5	-176.3	-91.6	-43.9	0	0	0	114.8	H597 K601	H597-D599 VanDerWaalsContact C-N 3.3Å; D599-K601 WeakPolarHBondContact O-CG 3.11Å; D599-K601 PolarHBondContact O-N 2.8Å; D599-K601 WeakPolarHBondContact OD1-CE 3.33Å; D599-K601 IonicContact OD1-NZ 2.85Å; D599-K601 PolarHBondContact OD1-NZ 2.74Å; D599-K601 IonicContact OD2-NZ 3.91Å
600	D	69.5	Low	77.7	Confident	38 Å²	38	79.6 Å²	79.6	20%	0.203	38%	0.377	C	S	.	.			trans	-77.8	64.1	-174.7	-175.7	32.7	0	0	0	111.8	R595 H598 R602	R595-D600 HydrophobicContact CB-CB 4Å; R595-D600 WeakPolarHBondContact CD-OD2 3.13Å; R595-D600 HydrophobicContact CG-CB 3.95Å; R595-D600 WeakPolarHBondContact CG-OD2 3.29Å; R595-D600 PolarHBondContact O-N 3.12Å; R595-D600 VanDerWaalsContact O-N 3.11Å; H598-D600 PolarHBondContact O-N 2.96Å; D600-R602 VanDerWaalsContact C-N 3.31Å; D600-R602 VanDerWaalsContact CG-NE 3.29Å; D600-R602 PolarHBondContact O-N 3.12Å; D600-R602 VanDerWaalsContact O-N 3.16Å; D600-R602 WeakPolarHBondContact OD1-CG 3.34Å; D600-R602 IonicContact OD1-CZ 2.71Å; D600-R602 IonicContact OD1-NE 3.99Å; D600-R602 PolarHBondContact OD1-NE 3.02Å; D600-R602 IonicContact OD1-NH2 3.73Å; D600-R602 PolarHBondContact OD1-NH2 2.74Å; D600-R602 IonicContact OD2-CZ 2.7Å; D600-R602 IonicContact OD2-NE 3.12Å; D600-R602 PolarHBondContact OD2-NE 3.34Å; D600-R602 IonicContact OD2-NH2 4Å; D600-R602 PolarHBondContact OD2-NH2 2.99Å; D600-R602 VanDerWaalsContact OD2-NH2 3.15Å
601	K	64.4	Low	77.3	Confident	78 Å²	78	80.1 Å²	80.1	34%	0.339	39%	0.385	S	S	.	.			trans	-88.1	53.8	-172.5	-52.4	-179.6	-163.9	89	0	112.8	D599 Y603 T611 F612 I613	D599-K601 WeakPolarHBondContact O-CG 3.11Å; D599-K601 PolarHBondContact O-N 2.8Å; D599-K601 WeakPolarHBondContact OD1-CE 3.33Å; D599-K601 IonicContact OD1-NZ 2.85Å; D599-K601 PolarHBondContact OD1-NZ 2.74Å; D599-K601 IonicContact OD2-NZ 3.91Å; K601-Y603 PolarHBondContact O-N 2.82Å; K601-T611 VanDerWaalsContact CD-OG1 3.24Å; K601-T611 WeakPolarHBondContact CD-OG1 3.48Å; K601-F612 CarbonylContact C-O 3.55Å; K601-I613 HydrophobicContact CG-CG1 4.21Å
602	R	68.5	Low	77.2	Confident	178 Å²	178	74.4 Å²	74.4	67%	0.672	37%	0.365	S	S	*	.			trans	-55.8	-12.6	-171.1	-55.5	-172.7	-174.2	-108.9	-18.9	117.8	D600	D600-R602 VanDerWaalsContact C-N 3.31Å; D600-R602 VanDerWaalsContact CG-NE 3.29Å; D600-R602 PolarHBondContact O-N 3.12Å; D600-R602 VanDerWaalsContact O-N 3.16Å; D600-R602 WeakPolarHBondContact OD1-CG 3.34Å; D600-R602 IonicContact OD1-CZ 2.71Å; D600-R602 IonicContact OD1-NE 3.99Å; D600-R602 PolarHBondContact OD1-NE 3.02Å; D600-R602 IonicContact OD1-NH2 3.73Å; D600-R602 PolarHBondContact OD1-NH2 2.74Å; D600-R602 IonicContact OD2-CZ 2.7Å; D600-R602 IonicContact OD2-NE 3.12Å; D600-R602 PolarHBondContact OD2-NE 3.34Å; D600-R602 IonicContact OD2-NH2 4Å; D600-R602 PolarHBondContact OD2-NH2 2.99Å; D600-R602 VanDerWaalsContact OD2-NH2 3.15Å
603	Y	75.1	Confident	77.1	Confident	84 Å²	84	74 Å²	74	33%	0.329	36%	0.363	S	S	.	.	B	Isolated β-bridge	trans	-111.3	83.4	-173.6	-60	-73.1	0	0	0	110.3	K601 F612 H615	K601-Y603 PolarHBondContact O-N 2.82Å; Y603-F612 WeakPolarHBondContact CB-O 3.16Å; Y603-F612 PolarHBondContact N-O 2.98Å; Y603-F612 VanDerWaalsContact N-O 3.09Å; Y603-F612 PolarHBondContact O-N 2.8Å; Y603-H615 HydrophobicContact CD1-CB 4.04Å; Y603-H615 HydrophobicContact CE1-CB 3.85Å; Y603-H615 HydrophobicContact CE2-CB 4.44Å; Y603-H615 HydrophobicContact CG-CB 4.42Å
604	E	81.7	Confident	76.8	Confident	105 Å²	105	76.9 Å²	76.9	49%	0.491	37%	0.373	S	S	.	.			trans	-72.6	157.2	173.9	-165.4	153.9	168.3	0	0	112.4	G609 K610 T611 L618	E604-G609 WeakPolarHBondContact OE1-CA 3.2Å; E604-K610 CarbonylContact C-O 3.57Å; E604-T611 HydrophobicContact CB-CG2 3.93Å; E604-T611 HydrophobicContact CG-CG2 3.76Å; E604-L618 WeakPolarHBondContact O-CD1 3.4Å; E604-L618 WeakPolarHBondContact O-CD2 3.34Å
605	C	84	Confident	76.6	Confident	0 Å²	0	80.1 Å²	80.1	0%	0	39%	0.386	C	S	.	.			trans	-113	96.9	174.2	-169	0	0	0	0	109.2	E607 C608 G609 K610 F612 L618 H621 H625	C605-E607 PolarHBondContact O-N 3.17Å; C605-C608 CarbonylContact O-C 3.49Å; C605-C608 PolarHBondContact O-N 3.19Å; C605-G609 PolarHBondContact O-N 2.75Å; C605-K610 HydrophobicContact CB-CB 4.49Å; C605-K610 WeakPolarHBondContact CB-O 3.35Å; C605-K610 PolarHBondContact N-O 2.93Å; C605-F612 HydrophobicContact CB-CE2 4.26Å; C605-L618 HydrophobicContact CB-CD1 3.48Å; C605-L618 VanDerWaalsContact CB-CD1 3.48Å; C605-H621 VanDerWaalsContact SG-CD2 3.54Å; C605-H625 VanDerWaalsContact SG-CD2 3.56Å
606	D	78.6	Confident	76.5	Confident	123 Å²	123	79 Å²	79	66%	0.658	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-43.8	-39.5	-176.9	-21.1	-44.8	0	0	0	113.1	C608 K622	D606-C608 VanDerWaalsContact C-N 3.27Å; D606-C608 PolarHBondContact O-N 2.71Å; D606-K622 IonicContact OD1-NZ 3.86Å; D606-K622 WeakPolarHBondContact OD2-CE 3.43Å; D606-K622 IonicContact OD2-NZ 2.57Å; D606-K622 PolarHBondContact OD2-NZ 2.89Å
607	E	75.6	Confident	76.6	Confident	100 Å²	100	79.5 Å²	79.5	47%	0.467	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-11.5	179.7	-61	170	-83.1	0	0	115.1	C605 H625	C605-E607 PolarHBondContact O-N 3.17Å; E607-H625 HydrophobicContact CB-CB 4.19Å; E607-H625 VanDerWaalsContact CD-CB 3.41Å; E607-H625 HydrophobicContact CG-CB 4.41Å; E607-H625 IonicContact OE1-CD2 3.81Å; E607-H625 IonicContact OE1-CG 3.92Å; E607-H625 WeakPolarHBondContact OE2-CB 3.14Å; E607-H625 IonicContact OE2-CG 3.57Å
608	C	77.4	Confident	76.7	Confident	43 Å²	43	77.1 Å²	77.1	29%	0.291	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-160.1	11.7	-179.4	75.4	0	0	0	0	118	C605 D606 K610 H621 H625	C605-C608 CarbonylContact O-C 3.49Å; C605-C608 PolarHBondContact O-N 3.19Å; D606-C608 VanDerWaalsContact C-N 3.27Å; D606-C608 PolarHBondContact O-N 2.71Å; C608-K610 PolarHBondContact O-N 3.49Å; C608-K610 WeakPolarHBondContact SG-CG 3.18Å; C608-K610 PolarHBondContact SG-NZ 3.4Å; C608-H621 PolarHBondContact SG-NE2 3.29Å; C608-H625 WeakPolarHBondContact CB-NE2 3.5Å; C608-H625 PolarHBondContact SG-NE2 3.5Å
609	G	78.4	Confident	77	Confident	41 Å²	41	73.5 Å²	73.5	42%	0.423	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.6	13.7	178.5	0	0	0	0	0	115.8	E604 C605	E604-G609 WeakPolarHBondContact OE1-CA 3.2Å; C605-G609 PolarHBondContact O-N 2.75Å
610	K	78	Confident	77.4	Confident	102 Å²	102	74.1 Å²	74.1	44%	0.443	36%	0.357	S	S	.	.			trans	-85.7	118.7	-177.7	-69.7	-175.5	-163.6	95.4	0	110.7	E604 C605 C608 F612	E604-K610 CarbonylContact C-O 3.57Å; C605-K610 HydrophobicContact CB-CB 4.49Å; C605-K610 WeakPolarHBondContact CB-O 3.35Å; C605-K610 PolarHBondContact N-O 2.93Å; C608-K610 PolarHBondContact O-N 3.49Å; C608-K610 WeakPolarHBondContact SG-CG 3.18Å; C608-K610 PolarHBondContact SG-NZ 3.4Å; K610-F612 HydrophobicContact CB-CE2 3.76Å; K610-F612 HydrophobicContact CB-CZ 4.13Å; K610-F612 WeakPolarHBondContact O-CD2 3.41Å; K610-F612 WeakPolarHBondContact O-CE2 2.89Å
611	T	78.8	Confident	77.8	Confident	58 Å²	58	73.3 Å²	73.3	36%	0.356	35%	0.353	S	S	.	.			trans	-96.1	133.5	-175.1	52	0	0	0	0	112.4	K601 E604	K601-T611 VanDerWaalsContact CD-OG1 3.24Å; K601-T611 WeakPolarHBondContact CD-OG1 3.48Å; E604-T611 HydrophobicContact CB-CG2 3.93Å; E604-T611 HydrophobicContact CG-CG2 3.76Å
612	F	80.1	Confident	78.3	Confident	49 Å²	49	72.9 Å²	72.9	22%	0.215	35%	0.35	C	S	.	.	B	Isolated β-bridge	trans	-123	150.2	-174.9	-63.1	-92.8	0	0	0	111.8	K601 Y603 C605 K610 R614 H617 L618 H621	K601-F612 CarbonylContact C-O 3.55Å; Y603-F612 WeakPolarHBondContact CB-O 3.16Å; Y603-F612 PolarHBondContact N-O 2.98Å; Y603-F612 VanDerWaalsContact N-O 3.09Å; Y603-F612 PolarHBondContact O-N 2.8Å; C605-F612 HydrophobicContact CB-CE2 4.26Å; K610-F612 HydrophobicContact CB-CE2 3.76Å; K610-F612 HydrophobicContact CB-CZ 4.13Å; K610-F612 WeakPolarHBondContact O-CD2 3.41Å; K610-F612 WeakPolarHBondContact O-CE2 2.89Å; F612-R614 VanDerWaalsContact C-N 3.33Å; F612-H617 HydrophobicContact CD1-CB 3.93Å; F612-H617 HydrophobicContact CG-CB 4.49Å; F612-L618 HydrophobicContact CB-CB 4.49Å; F612-L618 HydrophobicContact CD2-CB 4.31Å; F612-L618 HydrophobicContact CD2-CD1 4.14Å; F612-L618 HydrophobicContact CE2-CD1 4.46Å; F612-H621 HydrophobicContact CE1-CB 4.36Å; F612-H621 HydrophobicContact CE2-CB 4.08Å; F612-H621 AromaticContact CE2-CD2 3.22Å; F612-H621 WeakPolarHBondContact CE2-CD2 3.24Å; F612-H621 AromaticContact CE2-CG 3.82Å; F612-H621 AromaticContact CE2-NE2 3.99Å; F612-H621 HydrophobicContact CZ-CB 3.77Å; F612-H621 AromaticContact CZ-CD2 3.25Å; F612-H621 WeakPolarHBondContact CZ-CD2 3.4Å; F612-H621 AromaticContact CZ-CG 3.47Å; F612-H621 VanDerWaalsContact CZ-CG 3.47Å; F612-H621 AromaticContact CZ-NE2 3.85Å
613	I	80.4	Confident	78.5	Confident	37 Å²	37	69.4 Å²	69.4	19%	0.19	34%	0.34	C	S	.	.	S	Bend	trans	-86.2	-8.2	179.2	-51.6	174.2	0	0	0	111.3	L592 R595 V596 K601	L592-I613 HydrophobicContact CD1-CG2 3.85Å; R595-I613 HydrophobicContact CB-CG2 3.65Å; R595-I613 PolarHBondContact NH1-O 2.84Å; V596-I613 HydrophobicContact CB-CD1 4.3Å; V596-I613 HydrophobicContact CG2-CD1 3.71Å; K601-I613 HydrophobicContact CG-CG1 4.21Å
614	R	79.4	Confident	78.3	Confident	92 Å²	92	70.4 Å²	70.4	35%	0.347	35%	0.35	S	S	.	.			trans	-140.6	132.4	-178.2	-71.6	172.5	55	149.3	-4.1	112	L592 F612 D616 H617 L618	L592-R614 HydrophobicContact CD1-CG 3.51Å; F612-R614 VanDerWaalsContact C-N 3.33Å; R614-D616 VanDerWaalsContact C-N 3.34Å; R614-D616 IonicContact CZ-OD1 2.95Å; R614-D616 IonicContact NE-OD1 3.13Å; R614-D616 PolarHBondContact NE-OD1 2.84Å; R614-D616 VanDerWaalsContact NH2-CG 3.26Å; R614-D616 IonicContact NH2-OD1 2.73Å; R614-D616 PolarHBondContact NH2-OD1 2.89Å; R614-D616 IonicContact NH2-OD2 2.59Å; R614-D616 PolarHBondContact NH2-OD2 2.79Å; R614-D616 PolarHBondContact O-N 3.27Å; R614-H617 HydrophobicContact CB-CB 4.32Å; R614-H617 WeakPolarHBondContact O-CB 3.28Å; R614-H617 PolarHBondContact O-N 2.96Å; R614-L618 PolarHBondContact O-N 2.87Å; R614-L618 VanDerWaalsContact O-N 3.17Å
615	H	79.7	Confident	77.7	Confident	110 Å²	110	69.1 Å²	69.1	51%	0.509	34%	0.344	S	S	.	.	H	α-helix	trans	-53.3	-45.6	173.1	-173.1	-102.7	0	0	0	112.8	Y603 H617 L618 T619	Y603-H615 HydrophobicContact CD1-CB 4.04Å; Y603-H615 HydrophobicContact CE1-CB 3.85Å; Y603-H615 HydrophobicContact CE2-CB 4.44Å; Y603-H615 HydrophobicContact CG-CB 4.42Å; H615-H617 PolarHBondContact O-N 3.26Å; H615-H617 VanDerWaalsContact O-N 3.12Å; H615-L618 CarbonylContact O-C 3.56Å; H615-L618 WeakPolarHBondContact O-CA 3.41Å; H615-L618 WeakPolarHBondContact O-CB 3.41Å; H615-L618 PolarHBondContact O-N 2.89Å; H615-T619 PolarHBondContact CE1-OG1 3.17Å; H615-T619 PolarHBondContact ND1-OG1 3.31Å; H615-T619 PolarHBondContact O-N 3.38Å; H615-T619 PolarHBondContact O-OG1 3.02Å
616	D	79.6	Confident	76.8	Confident	43 Å²	43	72.7 Å²	72.7	23%	0.23	37%	0.369	C	S	.	.	H	α-helix	trans	-68.1	-14.7	-179.6	82.2	-72	0	0	0	114.1	R614 K620	R614-D616 VanDerWaalsContact C-N 3.34Å; R614-D616 IonicContact CZ-OD1 2.95Å; R614-D616 IonicContact NE-OD1 3.13Å; R614-D616 PolarHBondContact NE-OD1 2.84Å; R614-D616 VanDerWaalsContact NH2-CG 3.26Å; R614-D616 IonicContact NH2-OD1 2.73Å; R614-D616 PolarHBondContact NH2-OD1 2.89Å; R614-D616 IonicContact NH2-OD2 2.59Å; R614-D616 PolarHBondContact NH2-OD2 2.79Å; R614-D616 PolarHBondContact O-N 3.27Å; D616-K620 WeakPolarHBondContact O-CB 3.31Å; D616-K620 WeakPolarHBondContact O-CD 3.4Å; D616-K620 WeakPolarHBondContact O-CE 3.5Å; D616-K620 WeakPolarHBondContact O-CG 3.47Å; D616-K620 PolarHBondContact O-N 3.23Å; D616-K620 IonicContact OD2-NZ 3.68Å; D616-K620 PolarHBondContact OD2-NZ 2.96Å
617	H	80.1	Confident	76	Confident	85 Å²	85	69.1 Å²	69.1	39%	0.394	36%	0.361	S	S	.	.	H	α-helix	trans	-83.4	-37.4	169.2	-65.6	-12.9	0	0	0	110.9	F612 R614 H615 K620 H621	F612-H617 HydrophobicContact CD1-CB 3.93Å; F612-H617 HydrophobicContact CG-CB 4.49Å; R614-H617 HydrophobicContact CB-CB 4.32Å; R614-H617 WeakPolarHBondContact O-CB 3.28Å; R614-H617 PolarHBondContact O-N 2.96Å; H615-H617 PolarHBondContact O-N 3.26Å; H615-H617 VanDerWaalsContact O-N 3.12Å; H617-K620 PolarHBondContact O-N 3.37Å; H617-H621 WeakPolarHBondContact O-CB 3.29Å; H617-H621 PolarHBondContact O-N 3.36Å
618	L	81.6	Confident	75.1	Confident	13 Å²	13	68.4 Å²	68.4	7%	0.068	36%	0.358	C	S	.	.	H	α-helix	trans	-60.9	-48.5	168.8	175.1	63	0	0	0	111.8	E604 C605 F612 R614 H615 K620 H621 K622	E604-L618 WeakPolarHBondContact O-CD1 3.4Å; E604-L618 WeakPolarHBondContact O-CD2 3.34Å; C605-L618 HydrophobicContact CB-CD1 3.48Å; C605-L618 VanDerWaalsContact CB-CD1 3.48Å; F612-L618 HydrophobicContact CB-CB 4.49Å; F612-L618 HydrophobicContact CD2-CB 4.31Å; F612-L618 HydrophobicContact CD2-CD1 4.14Å; F612-L618 HydrophobicContact CE2-CD1 4.46Å; R614-L618 PolarHBondContact O-N 2.87Å; R614-L618 VanDerWaalsContact O-N 3.17Å; H615-L618 CarbonylContact O-C 3.56Å; H615-L618 WeakPolarHBondContact O-CA 3.41Å; H615-L618 WeakPolarHBondContact O-CB 3.41Å; H615-L618 PolarHBondContact O-N 2.89Å; L618-K620 VanDerWaalsContact C-N 3.3Å; L618-K620 PolarHBondContact O-N 3.23Å; L618-H621 CarbonylContact O-C 3.54Å; L618-H621 WeakPolarHBondContact O-CA 3.41Å; L618-H621 WeakPolarHBondContact O-CB 3.43Å; L618-H621 PolarHBondContact O-N 2.83Å; L618-K622 HydrophobicContact CD1-CD 4.41Å; L618-K622 HydrophobicContact CD1-CG 4.02Å; L618-K622 HydrophobicContact CG-CG 4.41Å; L618-K622 PolarHBondContact O-N 3.37Å
619	T	78.9	Confident	74.1	Confident	62 Å²	62	73.2 Å²	73.2	38%	0.38	37%	0.374	S	S	.	.	H	α-helix	trans	-59.9	-40.9	178.3	-37.5	0	0	0	0	111.7	H615 H621 K623	H615-T619 PolarHBondContact CE1-OG1 3.17Å; H615-T619 PolarHBondContact ND1-OG1 3.31Å; H615-T619 PolarHBondContact O-N 3.38Å; H615-T619 PolarHBondContact O-OG1 3.02Å; T619-H621 PolarHBondContact O-N 2.82Å; T619-K623 PolarHBondContact O-N 3.17Å
620	K	74.7	Confident	73.3	Confident	115 Å²	115	74.4 Å²	74.4	50%	0.5	38%	0.379	S	S	.	.	H	α-helix	trans	-72	-7.7	174.1	-69.7	168.1	-163.8	159.4	0	113.6	D616 H617 L618	D616-K620 WeakPolarHBondContact O-CB 3.31Å; D616-K620 WeakPolarHBondContact O-CD 3.4Å; D616-K620 WeakPolarHBondContact O-CE 3.5Å; D616-K620 WeakPolarHBondContact O-CG 3.47Å; D616-K620 PolarHBondContact O-N 3.23Å; D616-K620 IonicContact OD2-NZ 3.68Å; D616-K620 PolarHBondContact OD2-NZ 2.96Å; H617-K620 PolarHBondContact O-N 3.37Å; L618-K620 VanDerWaalsContact C-N 3.3Å; L618-K620 PolarHBondContact O-N 3.23Å
621	H	77.9	Confident	72.6	Confident	22 Å²	22	71.5 Å²	71.5	10%	0.102	37%	0.367	C	S	.	.	H	α-helix	trans	-101.5	-41.7	175.8	-175.5	44.3	0	0	0	112.6	C605 C608 F612 H617 L618 T619 K623 I624 H625	C605-H621 VanDerWaalsContact SG-CD2 3.54Å; C608-H621 PolarHBondContact SG-NE2 3.29Å; F612-H621 HydrophobicContact CE1-CB 4.36Å; F612-H621 HydrophobicContact CE2-CB 4.08Å; F612-H621 AromaticContact CE2-CD2 3.22Å; F612-H621 WeakPolarHBondContact CE2-CD2 3.24Å; F612-H621 AromaticContact CE2-CG 3.82Å; F612-H621 AromaticContact CE2-NE2 3.99Å; F612-H621 HydrophobicContact CZ-CB 3.77Å; F612-H621 AromaticContact CZ-CD2 3.25Å; F612-H621 WeakPolarHBondContact CZ-CD2 3.4Å; F612-H621 AromaticContact CZ-CG 3.47Å; F612-H621 VanDerWaalsContact CZ-CG 3.47Å; F612-H621 AromaticContact CZ-NE2 3.85Å; H617-H621 WeakPolarHBondContact O-CB 3.29Å; H617-H621 PolarHBondContact O-N 3.36Å; L618-H621 CarbonylContact O-C 3.54Å; L618-H621 WeakPolarHBondContact O-CA 3.41Å; L618-H621 WeakPolarHBondContact O-CB 3.43Å; L618-H621 PolarHBondContact O-N 2.83Å; T619-H621 PolarHBondContact O-N 2.82Å; H621-K623 VanDerWaalsContact C-N 3.25Å; H621-K623 PolarHBondContact O-N 3.41Å; H621-I624 WeakPolarHBondContact O-CA 3.48Å; H621-I624 WeakPolarHBondContact O-CB 3.32Å; H621-I624 PolarHBondContact O-N 2.83Å; H621-H625 AromaticContact CE1-NE2 3.93Å
622	K	76	Confident	71.9	Confident	68 Å²	68	74 Å²	74	30%	0.296	38%	0.375	S	S	.	.	H	α-helix	trans	-56.2	-39.4	171.3	-72	-167	168.8	-167.7	0	111.8	D606 L618 I624 H625 S626	D606-K622 IonicContact OD1-NZ 3.86Å; D606-K622 WeakPolarHBondContact OD2-CE 3.43Å; D606-K622 IonicContact OD2-NZ 2.57Å; D606-K622 PolarHBondContact OD2-NZ 2.89Å; L618-K622 HydrophobicContact CD1-CD 4.41Å; L618-K622 HydrophobicContact CD1-CG 4.02Å; L618-K622 HydrophobicContact CG-CG 4.41Å; L618-K622 PolarHBondContact O-N 3.37Å; K622-I624 PolarHBondContact O-N 2.8Å; K622-H625 PolarHBondContact O-N 2.86Å; K622-S626 WeakPolarHBondContact O-CB 3.46Å; K622-S626 PolarHBondContact O-N 3.23Å
623	K	73.2	Confident	71.4	Confident	105 Å²	105	71.8 Å²	71.8	46%	0.457	37%	0.366	S	S	.	.	H	α-helix	trans	-60.9	-4.1	169.3	-73.6	-168.4	175.9	-78.3	0	115.7	T619 H621 E628	T619-K623 PolarHBondContact O-N 3.17Å; H621-K623 VanDerWaalsContact C-N 3.25Å; H621-K623 PolarHBondContact O-N 3.41Å; K623-E628 IonicContact NZ-OE1 3.8Å; K623-E628 IonicContact NZ-OE2 2.64Å; K623-E628 PolarHBondContact NZ-OE2 2.89Å
624	I	69.6	Low	71	Confident	105 Å²	105	79 Å²	79	54%	0.538	40%	0.398	S	S	.	.	H	α-helix	trans	-93	-34.7	170.8	-53.4	179.2	0	0	0	111	H621 K622	H621-I624 WeakPolarHBondContact O-CA 3.48Å; H621-I624 WeakPolarHBondContact O-CB 3.32Å; H621-I624 PolarHBondContact O-N 2.83Å; K622-I624 PolarHBondContact O-N 2.8Å
625	H	69.8	Low	70.4	Confident	79 Å²	79	79.8 Å²	79.8	37%	0.366	41%	0.406	S	S	.	.	H	α-helix	trans	-81.1	-45.8	179.2	-60.3	-63.4	0	0	0	112.4	C605 E607 C608 H621 K622 G627	C605-H625 VanDerWaalsContact SG-CD2 3.56Å; E607-H625 HydrophobicContact CB-CB 4.19Å; E607-H625 VanDerWaalsContact CD-CB 3.41Å; E607-H625 HydrophobicContact CG-CB 4.41Å; E607-H625 IonicContact OE1-CD2 3.81Å; E607-H625 IonicContact OE1-CG 3.92Å; E607-H625 WeakPolarHBondContact OE2-CB 3.14Å; E607-H625 IonicContact OE2-CG 3.57Å; C608-H625 WeakPolarHBondContact CB-NE2 3.5Å; C608-H625 PolarHBondContact SG-NE2 3.5Å; H621-H625 AromaticContact CE1-NE2 3.93Å; K622-H625 PolarHBondContact O-N 2.86Å; H625-G627 PolarHBondContact O-N 3.38Å
626	S	65.6	Low	69.9	Low	75 Å²	75	76.7 Å²	76.7	52%	0.524	40%	0.396	S	S	.	.	S	Bend	trans	-55.9	-8	173.5	166.4	0	0	0	0	114	K622 E628	K622-S626 WeakPolarHBondContact O-CB 3.46Å; K622-S626 PolarHBondContact O-N 3.23Å; S626-E628 PolarHBondContact O-N 3.26Å
627	G	61.4	Low	69.2	Low	47 Å²	47	76.3 Å²	76.3	49%	0.485	40%	0.402	S	S	.	.			trans	71.9	3.6	170.7	0	0	0	0	0	114.6	H625 K629	H625-G627 PolarHBondContact O-N 3.38Å; G627-K629 VanDerWaalsContact C-N 3.29Å; G627-K629 PolarHBondContact O-N 3.44Å
628	E	57	Low	68.7	Low	85 Å²	85	77.7 Å²	77.7	40%	0.397	41%	0.407	S	S	.	.			trans	-57.6	86.3	-178.6	-85.8	-166.4	123.4	0	0	112.8	K623 S626 A630	K623-E628 IonicContact NZ-OE1 3.8Å; K623-E628 IonicContact NZ-OE2 2.64Å; K623-E628 PolarHBondContact NZ-OE2 2.89Å; S626-E628 PolarHBondContact O-N 3.26Å; E628-A630 PolarHBondContact O-N 3.08Å
629	K	56.8	Low	67.9	Low	145 Å²	145	79.2 Å²	79.2	63%	0.63	42%	0.418	S	S	*	.			trans	-72.4	32.2	169.2	-84.1	174.9	173.6	177.4	0	112.2	G627 H631 C639	G627-K629 VanDerWaalsContact C-N 3.29Å; G627-K629 PolarHBondContact O-N 3.44Å; K629-H631 CarbonylContact O-C 3.57Å; K629-H631 PolarHBondContact O-N 3.43Å; K629-C639 HydrophobicContact CB-CB 3.49Å; K629-C639 VanDerWaalsContact CB-CB 3.49Å; K629-C639 HydrophobicContact CD-CB 3.66Å; K629-C639 HydrophobicContact CG-CB 3.42Å; K629-C639 VanDerWaalsContact CG-CB 3.42Å
630	A	60.3	Low	67.6	Low	65 Å²	65	78.4 Å²	78.4	54%	0.537	41%	0.41	S	S	.	.			trans	-59.1	-3.3	-168	0	0	0	0	0	116	E628	E628-A630 PolarHBondContact O-N 3.08Å
631	H	63.5	Low	67.1	Low	42 Å²	42	75.7 Å²	75.7	19%	0.194	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	80	174.4	-51.5	-46	0	0	0	109.1	K629 F640 R642 R643 L646	K629-H631 CarbonylContact O-C 3.57Å; K629-H631 PolarHBondContact O-N 3.43Å; H631-F640 WeakPolarHBondContact CB-O 3.36Å; H631-F640 PolarHBondContact O-N 3.26Å; H631-R642 VanDerWaalsContact CD2-C 3.41Å; H631-R643 PolarHBondContact CD2-N 3.28Å; H631-L646 HydrophobicContact CB-CB 3.99Å; H631-L646 HydrophobicContact CB-CD2 3.71Å; H631-L646 HydrophobicContact CB-CG 4.47Å
632	Q	64.4	Low	66.8	Low	111 Å²	111	80.2 Å²	80.2	52%	0.519	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	145.7	169	-169.4	167.7	31.5	0	0	110.5	G637 L646	Q632-G637 WeakPolarHBondContact CG-O 3.22Å; Q632-G637 PolarHBondContact NE2-O 3.34Å; Q632-L646 WeakPolarHBondContact O-CD2 3.12Å
633	C	70.3	Confident	66.7	Low	2 Å²	2	85 Å²	85	1%	0.014	45%	0.447	C	S	.	.			trans	-88.9	110.5	169.5	-166	0	0	0	0	109.1	E635 C636 G637 K638 F640 L646 H654	C633-E635 VanDerWaalsContact C-N 3.3Å; C633-E635 PolarHBondContact O-N 3.38Å; C633-C636 PolarHBondContact O-N 2.99Å; C633-C636 VanDerWaalsContact O-N 3.11Å; C633-G637 WeakPolarHBondContact O-CA 3.25Å; C633-G637 PolarHBondContact O-N 3.17Å; C633-K638 WeakPolarHBondContact CB-O 3.14Å; C633-K638 PolarHBondContact N-O 3.23Å; C633-F640 HydrophobicContact CB-CE2 4.36Å; C633-L646 HydrophobicContact CB-CD1 3.47Å; C633-L646 VanDerWaalsContact CB-CD1 3.47Å; C633-H654 VanDerWaalsContact SG-CD2 3.6Å
634	E	70.5	Confident	66.8	Low	187 Å²	187	85.4 Å²	85.4	87%	0.874	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	-45.4	-176.4	-69.2	158.7	-162.8	0	0	111.9	C636	E634-C636 VanDerWaalsContact C-N 3.31Å; E634-C636 PolarHBondContact O-N 3.2Å
635	E	68.6	Low	67.2	Low	109 Å²	109	84.8 Å²	84.8	51%	0.509	45%	0.449	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-7.1	-179.4	-72.8	-172.5	-132.3	0	0	116.5	C633 Y650 H654	C633-E635 VanDerWaalsContact C-N 3.3Å; C633-E635 PolarHBondContact O-N 3.38Å; E635-Y650 HydrophobicContact CG-CE2 4.24Å; E635-Y650 VanDerWaalsContact OE1-CE2 3.22Å; E635-Y650 WeakPolarHBondContact OE1-CE2 3.43Å; E635-Y650 PolarHBondContact OE1-OH 3.34Å; E635-H654 WeakPolarHBondContact CB-CE1 3.34Å; E635-H654 WeakPolarHBondContact CB-ND1 3.47Å; E635-H654 WeakPolarHBondContact OE2-CB 3.18Å; E635-H654 IonicContact OE2-CE1 3.15Å; E635-H654 IonicContact OE2-CG 3.73Å; E635-H654 IonicContact OE2-ND1 2.98Å; E635-H654 PolarHBondContact OE2-ND1 3.03Å
636	C	68.9	Low	67.7	Low	45 Å²	45	82.4 Å²	82.4	30%	0.304	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	-150.7	10.6	176.3	69.6	0	0	0	0	116.4	C633 E634 K638 H649 H654	C633-C636 PolarHBondContact O-N 2.99Å; C633-C636 VanDerWaalsContact O-N 3.11Å; E634-C636 VanDerWaalsContact C-N 3.31Å; E634-C636 PolarHBondContact O-N 3.2Å; C636-K638 PolarHBondContact O-N 3.07Å; C636-K638 VanDerWaalsContact SG-CD 3.6Å; C636-H649 PolarHBondContact SG-NE2 3.39Å; C636-H654 PolarHBondContact SG-NE2 2.66Å
637	G	64.3	Low	68.3	Low	35 Å²	35	81.6 Å²	81.6	36%	0.361	43%	0.431	S	S	.	.			trans	64.6	-2.5	-179.2	0	0	0	0	0	116	Q632 C633 C639	Q632-G637 WeakPolarHBondContact CG-O 3.22Å; Q632-G637 PolarHBondContact NE2-O 3.34Å; C633-G637 WeakPolarHBondContact O-CA 3.25Å; C633-G637 PolarHBondContact O-N 3.17Å; G637-C639 PolarHBondContact O-N 2.84Å; G637-C639 PolarHBondContact O-SG 2.85Å; G637-C639 VanDerWaalsContact O-SG 3.38Å
638	K	68.8	Low	69.2	Low	114 Å²	114	84 Å²	84	50%	0.496	44%	0.436	S	S	.	.			trans	-71	126.8	-176.2	-70	172.7	-169.3	147.7	0	110.9	C633 C636 F640	C633-K638 WeakPolarHBondContact CB-O 3.14Å; C633-K638 PolarHBondContact N-O 3.23Å; C636-K638 PolarHBondContact O-N 3.07Å; C636-K638 VanDerWaalsContact SG-CD 3.6Å; K638-F640 HydrophobicContact CB-CE2 3.86Å; K638-F640 HydrophobicContact CB-CZ 4.07Å; K638-F640 WeakPolarHBondContact O-CD2 3.33Å; K638-F640 VanDerWaalsContact O-CE2 3.24Å; K638-F640 WeakPolarHBondContact O-CE2 3.19Å
639	C	66.1	Low	70.2	Confident	45 Å²	45	80.9 Å²	80.9	30%	0.304	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	140.4	-175.6	-53.6	0	0	0	0	113.2	K629 G637	K629-C639 HydrophobicContact CB-CB 3.49Å; K629-C639 VanDerWaalsContact CB-CB 3.49Å; K629-C639 HydrophobicContact CD-CB 3.66Å; K629-C639 HydrophobicContact CG-CB 3.42Å; K629-C639 VanDerWaalsContact CG-CB 3.42Å; G637-C639 PolarHBondContact O-N 2.84Å; G637-C639 PolarHBondContact O-SG 2.85Å; G637-C639 VanDerWaalsContact O-SG 3.38Å
640	F	72.7	Confident	71.2	Confident	46 Å²	46	78 Å²	78	20%	0.202	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	129	-179.1	-58.4	-90.7	0	0	0	110.6	H631 C633 K638 R642 H645 L646 H649	H631-F640 WeakPolarHBondContact CB-O 3.36Å; H631-F640 PolarHBondContact O-N 3.26Å; C633-F640 HydrophobicContact CB-CE2 4.36Å; K638-F640 HydrophobicContact CB-CE2 3.86Å; K638-F640 HydrophobicContact CB-CZ 4.07Å; K638-F640 WeakPolarHBondContact O-CD2 3.33Å; K638-F640 VanDerWaalsContact O-CE2 3.24Å; K638-F640 WeakPolarHBondContact O-CE2 3.19Å; F640-R642 PolarHBondContact O-N 3.02Å; F640-H645 HydrophobicContact CB-CB 4.23Å; F640-H645 HydrophobicContact CD1-CB 4.02Å; F640-H645 HydrophobicContact CG-CB 4.42Å; F640-L646 HydrophobicContact CB-CB 4.23Å; F640-L646 HydrophobicContact CD2-CB 3.98Å; F640-L646 HydrophobicContact CD2-CD1 3.92Å; F640-L646 HydrophobicContact CE2-CD1 4.19Å; F640-L646 HydrophobicContact CG-CB 4.3Å; F640-H649 HydrophobicContact CE1-CB 4.02Å; F640-H649 HydrophobicContact CE2-CB 3.97Å; F640-H649 AromaticContact CE2-CD2 3.2Å; F640-H649 WeakPolarHBondContact CE2-CD2 3.29Å; F640-H649 AromaticContact CE2-CG 3.66Å; F640-H649 AromaticContact CE2-NE2 3.89Å; F640-H649 HydrophobicContact CZ-CB 3.59Å; F640-H649 AromaticContact CZ-CD2 3.28Å; F640-H649 WeakPolarHBondContact CZ-CD2 3.36Å; F640-H649 AromaticContact CZ-CG 3.28Å; F640-H649 AromaticContact CZ-ND1 3.88Å; F640-H649 AromaticContact CZ-NE2 3.83Å
641	G	64.4	Low	71.9	Confident	58 Å²	58	79.2 Å²	79.2	60%	0.598	40%	0.4	S	S	*	.	S	Bend	trans	-71.2	13.1	175.1	0	0	0	0	0	115.2
642	R	71.2	Confident	72.4	Confident	117 Å²	117	80.8 Å²	80.8	44%	0.442	42%	0.416	S	S	.	.	S	Bend	trans	-153.4	134.5	175	-60.7	-172.5	-170.1	149.5	-0.4	111.4	H631 F640 D644 H645 L646	H631-R642 VanDerWaalsContact CD2-C 3.41Å; F640-R642 PolarHBondContact O-N 3.02Å; R642-D644 VanDerWaalsContact C-N 3.3Å; R642-D644 PolarHBondContact O-N 2.87Å; R642-H645 HydrophobicContact CB-CB 4.46Å; R642-H645 PolarHBondContact NH1-NE2 2.82Å; R642-H645 PolarHBondContact O-N 2.93Å; R642-H645 VanDerWaalsContact O-N 3.07Å; R642-L646 PolarHBondContact O-N 3.06Å
643	R	73.1	Confident	72.8	Confident	167 Å²	167	79.4 Å²	79.4	63%	0.63	42%	0.415	S	S	*	.	H	α-helix	trans	-58.7	-39.3	179.2	-171.6	168.6	-79.3	163.4	-6.9	112.3	H631 H645 L646 T647	H631-R643 PolarHBondContact CD2-N 3.28Å; R643-H645 VanDerWaalsContact C-N 3.28Å; R643-H645 PolarHBondContact O-N 3.11Å; R643-L646 PolarHBondContact O-N 2.82Å; R643-T647 PolarHBondContact O-N 3.33Å; R643-T647 PolarHBondContact O-OG1 3.46Å; R643-T647 VanDerWaalsContact O-OG1 3.09Å
644	D	76.6	Confident	72.9	Confident	115 Å²	115	81.2 Å²	81.2	62%	0.615	42%	0.423	S	S	*	.	H	α-helix	trans	-56.7	-40.4	175.8	-50.7	-36.2	0	0	0	112.6	R642 T647 V648	R642-D644 VanDerWaalsContact C-N 3.3Å; R642-D644 PolarHBondContact O-N 2.87Å; D644-T647 PolarHBondContact O-N 3.43Å; D644-V648 WeakPolarHBondContact O-CB 3.4Å; D644-V648 WeakPolarHBondContact O-CG2 3.4Å; D644-V648 PolarHBondContact O-N 2.59Å
645	H	77.7	Confident	72.8	Confident	91 Å²	91	75.4 Å²	75.4	42%	0.421	40%	0.398	S	S	.	.	H	α-helix	trans	-74.2	-37.1	-179.3	-65	-28.1	0	0	0	111.5	F640 R642 R643 H649	F640-H645 HydrophobicContact CB-CB 4.23Å; F640-H645 HydrophobicContact CD1-CB 4.02Å; F640-H645 HydrophobicContact CG-CB 4.42Å; R642-H645 HydrophobicContact CB-CB 4.46Å; R642-H645 PolarHBondContact NH1-NE2 2.82Å; R642-H645 PolarHBondContact O-N 2.93Å; R642-H645 VanDerWaalsContact O-N 3.07Å; R643-H645 VanDerWaalsContact C-N 3.28Å; R643-H645 PolarHBondContact O-N 3.11Å; H645-H649 VanDerWaalsContact O-CB 3.23Å; H645-H649 WeakPolarHBondContact O-CB 3.31Å; H645-H649 PolarHBondContact O-N 2.81Å
646	L	79.1	Confident	72.4	Confident	30 Å²	30	72.7 Å²	72.7	16%	0.157	40%	0.399	C	S	.	.	H	α-helix	trans	-60.9	-48.4	167.7	172.6	61.7	0	0	0	111.1	H631 Q632 C633 F640 R642 R643 V648 H649 Y650	H631-L646 HydrophobicContact CB-CB 3.99Å; H631-L646 HydrophobicContact CB-CD2 3.71Å; H631-L646 HydrophobicContact CB-CG 4.47Å; Q632-L646 WeakPolarHBondContact O-CD2 3.12Å; C633-L646 HydrophobicContact CB-CD1 3.47Å; C633-L646 VanDerWaalsContact CB-CD1 3.47Å; F640-L646 HydrophobicContact CB-CB 4.23Å; F640-L646 HydrophobicContact CD2-CB 3.98Å; F640-L646 HydrophobicContact CD2-CD1 3.92Å; F640-L646 HydrophobicContact CE2-CD1 4.19Å; F640-L646 HydrophobicContact CG-CB 4.3Å; R642-L646 PolarHBondContact O-N 3.06Å; R643-L646 PolarHBondContact O-N 2.82Å; L646-V648 VanDerWaalsContact C-N 3.33Å; L646-V648 PolarHBondContact O-N 3.09Å; L646-H649 WeakPolarHBondContact O-CB 3.04Å; L646-H649 PolarHBondContact O-N 2.99Å; L646-H649 VanDerWaalsContact O-N 3.13Å; L646-Y650 WeakPolarHBondContact O-CB 3.1Å; L646-Y650 PolarHBondContact O-N 3.37Å
647	T	78.6	Confident	71.7	Confident	58 Å²	58	78.4 Å²	78.4	36%	0.356	42%	0.421	S	S	.	.	H	α-helix	trans	-62.2	-39.7	-178.7	-58.7	0	0	0	0	112	R643 D644 K651	R643-T647 PolarHBondContact O-N 3.33Å; R643-T647 PolarHBondContact O-OG1 3.46Å; R643-T647 VanDerWaalsContact O-OG1 3.09Å; D644-T647 PolarHBondContact O-N 3.43Å; T647-K651 HydrophobicContact CG2-CD 4.04Å; T647-K651 VanDerWaalsContact O-CB 3.26Å; T647-K651 WeakPolarHBondContact O-CB 3.42Å; T647-K651 VanDerWaalsContact O-CG 3.27Å; T647-K651 WeakPolarHBondContact O-CG 3.41Å; T647-K651 PolarHBondContact O-N 2.71Å; T647-K651 VanDerWaalsContact O-N 3.09Å
648	V	79.4	Confident	71.1	Confident	98 Å²	98	86.6 Å²	86.6	59%	0.594	45%	0.447	S	S	*	.	H	α-helix	trans	-66.7	-42.7	173.1	169.4	0	0	0	0	111.1	D644 L646 S652	D644-V648 WeakPolarHBondContact O-CB 3.4Å; D644-V648 WeakPolarHBondContact O-CG2 3.4Å; D644-V648 PolarHBondContact O-N 2.59Å; L646-V648 VanDerWaalsContact C-N 3.33Å; L646-V648 PolarHBondContact O-N 3.09Å; V648-S652 VanDerWaalsContact O-CB 3.28Å; V648-S652 WeakPolarHBondContact O-CB 3.47Å; V648-S652 PolarHBondContact O-N 2.62Å; V648-S652 VanDerWaalsContact O-N 3.13Å; V648-S652 PolarHBondContact O-OG 3.21Å
649	H	79.9	Confident	70.2	Confident	19 Å²	19	84.3 Å²	84.3	9%	0.088	44%	0.442	C	S	.	.	H	α-helix	trans	-61.3	-54.2	177.7	170.6	58.4	0	0	0	112	C636 F640 H645 L646 K651 S652 V653 H654	C636-H649 PolarHBondContact SG-NE2 3.39Å; F640-H649 HydrophobicContact CE1-CB 4.02Å; F640-H649 HydrophobicContact CE2-CB 3.97Å; F640-H649 AromaticContact CE2-CD2 3.2Å; F640-H649 WeakPolarHBondContact CE2-CD2 3.29Å; F640-H649 AromaticContact CE2-CG 3.66Å; F640-H649 AromaticContact CE2-NE2 3.89Å; F640-H649 HydrophobicContact CZ-CB 3.59Å; F640-H649 AromaticContact CZ-CD2 3.28Å; F640-H649 WeakPolarHBondContact CZ-CD2 3.36Å; F640-H649 AromaticContact CZ-CG 3.28Å; F640-H649 AromaticContact CZ-ND1 3.88Å; F640-H649 AromaticContact CZ-NE2 3.83Å; H645-H649 VanDerWaalsContact O-CB 3.23Å; H645-H649 WeakPolarHBondContact O-CB 3.31Å; H645-H649 PolarHBondContact O-N 2.81Å; L646-H649 WeakPolarHBondContact O-CB 3.04Å; L646-H649 PolarHBondContact O-N 2.99Å; L646-H649 VanDerWaalsContact O-N 3.13Å; H649-K651 VanDerWaalsContact C-N 3.35Å; H649-K651 PolarHBondContact O-N 2.81Å; H649-S652 CarbonylContact O-C 3.59Å; H649-S652 PolarHBondContact O-N 3.04Å; H649-S652 PolarHBondContact O-OG 3.22Å; H649-V653 WeakPolarHBondContact ND1-CG2 3.42Å; H649-V653 WeakPolarHBondContact O-CB 3.38Å; H649-V653 PolarHBondContact O-N 2.96Å; H649-H654 AromaticContact NE2-CD2 4Å; H649-H654 AromaticContact NE2-NE2 3.8Å
650	Y	77.5	Confident	69.2	Low	84 Å²	84	87.8 Å²	87.8	33%	0.329	45%	0.449	S	S	.	.	I	π-helix	trans	-56.1	-47.3	178.3	-171.4	-119.2	0	0	0	111.6	E635 L646 S652 H654 L655	E635-Y650 HydrophobicContact CG-CE2 4.24Å; E635-Y650 VanDerWaalsContact OE1-CE2 3.22Å; E635-Y650 WeakPolarHBondContact OE1-CE2 3.43Å; E635-Y650 PolarHBondContact OE1-OH 3.34Å; L646-Y650 WeakPolarHBondContact O-CB 3.1Å; L646-Y650 PolarHBondContact O-N 3.37Å; Y650-S652 PolarHBondContact O-N 2.84Å; Y650-H654 HydrophobicContact CD2-CB 3.71Å; Y650-H654 HydrophobicContact CE2-CB 3.94Å; Y650-H654 WeakPolarHBondContact O-CB 3.49Å; Y650-H654 PolarHBondContact O-N 3.31Å; Y650-H654 VanDerWaalsContact O-N 3.1Å; Y650-L655 HydrophobicContact CD1-CD1 3.66Å; Y650-L655 HydrophobicContact CE1-CD1 3.65Å; Y650-L655 HydrophobicContact CE1-CG 4.41Å; Y650-L655 HydrophobicContact CG-CD1 4.43Å; Y650-L655 PolarHBondContact O-N 3.29Å; Y650-L655 VanDerWaalsContact O-N 3.1Å
651	K	73.6	Confident	68.2	Low	90 Å²	90	93.6 Å²	93.6	39%	0.391	48%	0.477	S	S	.	.	I	π-helix	trans	-70.1	-6.4	176.5	-68.9	-177.9	-179.8	-177.3	0	115.5	T647 H649 L655 Y663	T647-K651 HydrophobicContact CG2-CD 4.04Å; T647-K651 VanDerWaalsContact O-CB 3.26Å; T647-K651 WeakPolarHBondContact O-CB 3.42Å; T647-K651 VanDerWaalsContact O-CG 3.27Å; T647-K651 WeakPolarHBondContact O-CG 3.41Å; T647-K651 PolarHBondContact O-N 2.71Å; T647-K651 VanDerWaalsContact O-N 3.09Å; H649-K651 VanDerWaalsContact C-N 3.35Å; H649-K651 PolarHBondContact O-N 2.81Å; K651-L655 HydrophobicContact CG-CD1 4.01Å; K651-Y663 PolarHBondContact NZ-OH 2.8Å
652	S	74.5	Confident	67.5	Low	75 Å²	75	100.1 Å²	100.1	52%	0.524	49%	0.489	S	S	.	.	I	π-helix	trans	-124.6	-12.4	-178	62.8	0	0	0	0	115.6	V648 H649 Y650	V648-S652 VanDerWaalsContact O-CB 3.28Å; V648-S652 WeakPolarHBondContact O-CB 3.47Å; V648-S652 PolarHBondContact O-N 2.62Å; V648-S652 VanDerWaalsContact O-N 3.13Å; V648-S652 PolarHBondContact O-OG 3.21Å; H649-S652 CarbonylContact O-C 3.59Å; H649-S652 PolarHBondContact O-N 3.04Å; H649-S652 PolarHBondContact O-OG 3.22Å; Y650-S652 PolarHBondContact O-N 2.84Å
653	V	72.8	Confident	66.4	Low	82 Å²	82	101.1 Å²	101.1	50%	0.497	49%	0.493	S	S	.	.	I	π-helix	trans	-117.5	-32.2	178.4	179.7	0	0	0	0	112.1	H649	H649-V653 WeakPolarHBondContact ND1-CG2 3.42Å; H649-V653 WeakPolarHBondContact O-CB 3.38Å; H649-V653 PolarHBondContact O-N 2.96Å
654	H	72.4	Confident	65.2	Low	41 Å²	41	101.4 Å²	101.4	19%	0.19	50%	0.499	C	S	.	.	I	π-helix	trans	-104.9	-49.9	-172.8	-71.7	-76.1	0	0	0	112.7	C633 E635 C636 H649 Y650 G656	C633-H654 VanDerWaalsContact SG-CD2 3.6Å; E635-H654 WeakPolarHBondContact CB-CE1 3.34Å; E635-H654 WeakPolarHBondContact CB-ND1 3.47Å; E635-H654 WeakPolarHBondContact OE2-CB 3.18Å; E635-H654 IonicContact OE2-CE1 3.15Å; E635-H654 IonicContact OE2-CG 3.73Å; E635-H654 IonicContact OE2-ND1 2.98Å; E635-H654 PolarHBondContact OE2-ND1 3.03Å; C636-H654 PolarHBondContact SG-NE2 2.66Å; H649-H654 AromaticContact NE2-CD2 4Å; H649-H654 AromaticContact NE2-NE2 3.8Å; Y650-H654 HydrophobicContact CD2-CB 3.71Å; Y650-H654 HydrophobicContact CE2-CB 3.94Å; Y650-H654 WeakPolarHBondContact O-CB 3.49Å; Y650-H654 PolarHBondContact O-N 3.31Å; Y650-H654 VanDerWaalsContact O-N 3.1Å; H654-G656 PolarHBondContact O-N 3.35Å
655	L	69.3	Low	64	Low	65 Å²	65	99.7 Å²	99.7	34%	0.34	50%	0.501	S	S	.	.	S	Bend	trans	-77.1	50.7	175.9	-72.9	149.4	0	0	0	113.1	Y650 K651 V659	Y650-L655 HydrophobicContact CD1-CD1 3.66Å; Y650-L655 HydrophobicContact CE1-CD1 3.65Å; Y650-L655 HydrophobicContact CE1-CG 4.41Å; Y650-L655 HydrophobicContact CG-CD1 4.43Å; Y650-L655 PolarHBondContact O-N 3.29Å; Y650-L655 VanDerWaalsContact O-N 3.1Å; K651-L655 HydrophobicContact CG-CD1 4.01Å; L655-V659 HydrophobicContact CD2-CG2 4.47Å
656	G	60.1	Low	62.9	Low	52 Å²	52	99.4 Å²	99.4	54%	0.536	51%	0.505	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	136.3	-173.2	0	0	0	0	0	114.7	H654 K658	H654-G656 PolarHBondContact O-N 3.35Å; G656-K658 VanDerWaalsContact C-N 3.31Å; G656-K658 PolarHBondContact O-N 3.19Å
657	E	53.4	Low	62.1	Low	165 Å²	165	101.4 Å²	101.4	77%	0.771	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.7	-61.6	173.5	-61.3	-160.4	130.7	0	0	118.8	V659 W660	E657-V659 VanDerWaalsContact C-N 3.25Å; E657-V659 PolarHBondContact O-N 3.28Å; E657-V659 VanDerWaalsContact O-N 3.12Å; E657-W660 WeakPolarHBondContact O-CA 3.48Å; E657-W660 WeakPolarHBondContact O-CB 3.48Å; E657-W660 PolarHBondContact O-N 2.87Å
658	K	52.3	Low	61.6	Low	207 Å²	207	100.3 Å²	100.3	90%	0.9	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-23.7	-165.1	-73.4	-179.2	178.9	175.7	0	114.5	G656	G656-K658 VanDerWaalsContact C-N 3.31Å; G656-K658 PolarHBondContact O-N 3.19Å
659	V	49.3	Very low	61.6	Low	66 Å²	66	100.2 Å²	100.2	40%	0.4	50%	0.497	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99	-16.1	172.9	-178.3	0	0	0	0	111.7	L655 E657 Q661 K662 Y663	L655-V659 HydrophobicContact CD2-CG2 4.47Å; E657-V659 VanDerWaalsContact C-N 3.25Å; E657-V659 PolarHBondContact O-N 3.28Å; E657-V659 VanDerWaalsContact O-N 3.12Å; V659-Q661 VanDerWaalsContact C-N 3.31Å; V659-Q661 PolarHBondContact O-N 3.13Å; V659-K662 WeakPolarHBondContact O-CB 3.31Å; V659-K662 PolarHBondContact O-N 2.88Å; V659-Y663 HydrophobicContact CG1-CD2 4.08Å; V659-Y663 HydrophobicContact CG1-CE2 4.28Å; V659-Y663 PolarHBondContact O-N 2.74Å
660	W	45.2	Very low	61.6	Low	118 Å²	118	99.3 Å²	99.3	45%	0.447	49%	0.493	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-34.5	-177.2	-151.7	72	0	0	0	112.2	E657 K662 Y663 F667	E657-W660 WeakPolarHBondContact O-CA 3.48Å; E657-W660 WeakPolarHBondContact O-CB 3.48Å; E657-W660 PolarHBondContact O-N 2.87Å; W660-K662 VanDerWaalsContact C-N 3.29Å; W660-K662 PolarHBondContact O-N 3.3Å; W660-Y663 CarbonylContact O-C 3.57Å; W660-Y663 VanDerWaalsContact O-C 3.3Å; W660-Y663 PolarHBondContact O-N 3.37Å; W660-F667 HydrophobicContact CD2-CE2 4.5Å; W660-F667 HydrophobicContact CD2-CZ 4.07Å; W660-F667 AromaticContact CE2-CZ 3.65Å; W660-F667 HydrophobicContact CE3-CE2 4.11Å; W660-F667 AromaticContact CE3-CZ 4Å; W660-F667 HydrophobicContact CE3-CZ 4Å; W660-F667 HydrophobicContact CH2-CD1 4.42Å; W660-F667 AromaticContact CH2-CE1 3.48Å; W660-F667 HydrophobicContact CH2-CE1 3.48Å; W660-F667 VanDerWaalsContact CH2-CE1 3.48Å; W660-F667 AromaticContact CH2-CE2 3.83Å; W660-F667 HydrophobicContact CH2-CE2 3.83Å; W660-F667 AromaticContact CH2-CZ 3.15Å; W660-F667 HydrophobicContact CH2-CZ 3.15Å; W660-F667 AromaticContact CZ2-CE1 3.55Å; W660-F667 HydrophobicContact CZ2-CE1 3.55Å; W660-F667 HydrophobicContact CZ2-CE2 4.21Å; W660-F667 AromaticContact CZ2-CZ 3.2Å; W660-F667 HydrophobicContact CZ2-CZ 3.2Å; W660-F667 HydrophobicContact CZ3-CE1 4.27Å; W660-F667 AromaticContact CZ3-CE2 3.76Å; W660-F667 HydrophobicContact CZ3-CE2 3.76Å; W660-F667 AromaticContact CZ3-CZ 3.56Å; W660-F667 HydrophobicContact CZ3-CZ 3.56Å
661	Q	51	Low	61.6	Low	168 Å²	168	101.5 Å²	101.5	79%	0.785	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-29.8	172.4	-64.8	-164.8	5.4	0	0	113.4	V659	V659-Q661 VanDerWaalsContact C-N 3.31Å; V659-Q661 PolarHBondContact O-N 3.13Å
662	K	50.7	Low	61.8	Low	195 Å²	195	102 Å²	102	85%	0.848	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-28.3	176.8	-125.3	174.7	-175.7	176.2	0	112	V659 W660 K664	V659-K662 WeakPolarHBondContact O-CB 3.31Å; V659-K662 PolarHBondContact O-N 2.88Å; W660-K662 VanDerWaalsContact C-N 3.29Å; W660-K662 PolarHBondContact O-N 3.3Å; K662-K664 VanDerWaalsContact C-N 3.3Å; K662-K664 PolarHBondContact O-N 3.47Å
663	Y	48.6	Very low	62	Low	138 Å²	138	100.6 Å²	100.6	54%	0.541	51%	0.51	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	50.1	168.2	-80.6	-99.2	0	0	0	111.8	K651 V659 W660 A665	K651-Y663 PolarHBondContact NZ-OH 2.8Å; V659-Y663 HydrophobicContact CG1-CD2 4.08Å; V659-Y663 HydrophobicContact CG1-CE2 4.28Å; V659-Y663 PolarHBondContact O-N 2.74Å; W660-Y663 CarbonylContact O-C 3.57Å; W660-Y663 VanDerWaalsContact O-C 3.3Å; W660-Y663 PolarHBondContact O-N 3.37Å; Y663-A665 PolarHBondContact O-N 3.17Å
664	K	47.8	Very low	62.3	Low	173 Å²	173	104.1 Å²	104.1	75%	0.752	52%	0.519	S	S	*	.			trans	-70.4	46.7	172.2	-162	177.9	-179.7	178.8	0	112.4	K662 T666	K662-K664 VanDerWaalsContact C-N 3.3Å; K662-K664 PolarHBondContact O-N 3.47Å; K664-T666 PolarHBondContact O-N 3.07Å
665	A	51	Low	62.5	Low	78 Å²	78	108.3 Å²	108.3	65%	0.645	54%	0.537	S	S	*	.			trans	-74.5	72.2	177.4	0	0	0	0	0	110.4	Y663	Y663-A665 PolarHBondContact O-N 3.17Å
666	T	53.9	Low	62.9	Low	85 Å²	85	110.9 Å²	110.9	52%	0.521	55%	0.549	S	S	.	.			trans	49.6	83.4	169.7	58.4	0	0	0	0	114.1	K664 H668	K664-T666 PolarHBondContact O-N 3.07Å; T666-H668 VanDerWaalsContact CB-NE2 3.32Å; T666-H668 WeakPolarHBondContact CB-NE2 3.37Å; T666-H668 PolarHBondContact O-CD2 3.03Å; T666-H668 PolarHBondContact O-N 3.5Å; T666-H668 PolarHBondContact O-NE2 3.26Å; T666-H668 PolarHBondContact OG1-NE2 2.84Å
667	F	62.3	Low	63.8	Low	72 Å²	72	110.2 Å²	110.2	32%	0.316	53%	0.532	S	S	.	.			trans	-63.8	132.9	154.2	-71.4	-68	0	0	0	108.9	W660 Q669 I676 K678	W660-F667 HydrophobicContact CD2-CE2 4.5Å; W660-F667 HydrophobicContact CD2-CZ 4.07Å; W660-F667 AromaticContact CE2-CZ 3.65Å; W660-F667 HydrophobicContact CE3-CE2 4.11Å; W660-F667 AromaticContact CE3-CZ 4Å; W660-F667 HydrophobicContact CE3-CZ 4Å; W660-F667 HydrophobicContact CH2-CD1 4.42Å; W660-F667 AromaticContact CH2-CE1 3.48Å; W660-F667 HydrophobicContact CH2-CE1 3.48Å; W660-F667 VanDerWaalsContact CH2-CE1 3.48Å; W660-F667 AromaticContact CH2-CE2 3.83Å; W660-F667 HydrophobicContact CH2-CE2 3.83Å; W660-F667 AromaticContact CH2-CZ 3.15Å; W660-F667 HydrophobicContact CH2-CZ 3.15Å; W660-F667 AromaticContact CZ2-CE1 3.55Å; W660-F667 HydrophobicContact CZ2-CE1 3.55Å; W660-F667 HydrophobicContact CZ2-CE2 4.21Å; W660-F667 AromaticContact CZ2-CZ 3.2Å; W660-F667 HydrophobicContact CZ2-CZ 3.2Å; W660-F667 HydrophobicContact CZ3-CE1 4.27Å; W660-F667 AromaticContact CZ3-CE2 3.76Å; W660-F667 HydrophobicContact CZ3-CE2 3.76Å; W660-F667 AromaticContact CZ3-CZ 3.56Å; W660-F667 HydrophobicContact CZ3-CZ 3.56Å; F667-Q669 PolarHBondContact O-N 3.16Å; F667-I676 HydrophobicContact CB-CG2 3.72Å; F667-I676 HydrophobicContact CD1-CG2 4.11Å; F667-I676 HydrophobicContact CG-CG2 4.06Å; F667-K678 HydrophobicContact CE1-CG 4.37Å
668	H	68.6	Low	64.8	Low	36 Å²	36	111.3 Å²	111.3	17%	0.167	53%	0.534	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	94.5	-175.3	-84.4	-64.7	0	0	0	107.9	T666 F677 K680 L683	T666-H668 VanDerWaalsContact CB-NE2 3.32Å; T666-H668 WeakPolarHBondContact CB-NE2 3.37Å; T666-H668 PolarHBondContact O-CD2 3.03Å; T666-H668 PolarHBondContact O-N 3.5Å; T666-H668 PolarHBondContact O-NE2 3.26Å; T666-H668 PolarHBondContact OG1-NE2 2.84Å; H668-F677 PolarHBondContact N-O 2.82Å; H668-F677 WeakPolarHBondContact O-CB 3.1Å; H668-F677 WeakPolarHBondContact O-CD2 3.38Å; H668-F677 PolarHBondContact O-N 2.96Å; H668-K680 WeakPolarHBondContact CD2-CG 3.12Å; H668-K680 PolarHBondContact CD2-N 3.34Å; H668-K680 WeakPolarHBondContact CE1-CE 3.39Å; H668-K680 WeakPolarHBondContact NE2-CE 3.19Å; H668-K680 WeakPolarHBondContact NE2-CG 3.01Å; H668-L683 HydrophobicContact CB-CB 3.67Å; H668-L683 HydrophobicContact CB-CD2 3.6Å; H668-L683 HydrophobicContact CB-CG 4.25Å
669	Q	79.2	Confident	66.1	Low	96 Å²	96	102.7 Å²	102.7	45%	0.449	50%	0.504	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	141.3	174.8	-170.8	165.9	24.5	0	0	110	F667 K674 K675 L683	F667-Q669 PolarHBondContact O-N 3.16Å; Q669-K674 WeakPolarHBondContact CG-O 3.4Å; Q669-K674 PolarHBondContact NE2-O 3.2Å; Q669-K675 CarbonylContact C-O 3.54Å; Q669-K675 WeakPolarHBondContact CA-O 3.34Å; Q669-L683 WeakPolarHBondContact O-CD2 3.18Å
670	C	79.9	Confident	67.3	Low	0 Å²	0	106.2 Å²	106.2	0%	0	51%	0.514	C	S	.	.			trans	-85	120	171.1	-176.7	0	0	0	0	110.2	V672 C673 K674 K675 F677 L683 F687 H690	C670-V672 VanDerWaalsContact C-N 3.26Å; C670-V672 PolarHBondContact O-N 3.11Å; C670-C673 PolarHBondContact O-N 3Å; C670-K674 WeakPolarHBondContact O-CA 3.22Å; C670-K674 PolarHBondContact O-N 3.47Å; C670-K675 PolarHBondContact N-O 3.03Å; C670-F677 HydrophobicContact CB-CE2 4.25Å; C670-L683 VanDerWaalsContact CA-CD1 3.47Å; C670-L683 HydrophobicContact CB-CD1 3.49Å; C670-L683 VanDerWaalsContact CB-CD1 3.49Å; C670-F687 HydrophobicContact CB-CE1 4.37Å; C670-F687 VanDerWaalsContact SG-CD1 3.6Å; C670-F687 WeakPolarHBondContact SG-CE1 3.35Å; C670-H690 PolarHBondContact SG-CD2 2.85Å; C670-H690 PolarHBondContact SG-NE2 3.27Å
671	D	77.6	Confident	68.7	Low	129 Å²	129	105.6 Å²	105.6	69%	0.69	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-35.7	-176.3	-50	-54.5	0	0	0	111.9	F687	D671-F687 WeakPolarHBondContact OD2-CZ 3.39Å
672	V	76.9	Confident	70.1	Confident	100 Å²	100	99.9 Å²	99.9	61%	0.606	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-40	-178	-176.3	0	0	0	0	113.5	C670 H690	C670-V672 VanDerWaalsContact C-N 3.26Å; C670-V672 PolarHBondContact O-N 3.11Å; V672-H690 HydrophobicContact CB-CB 4.4Å; V672-H690 HydrophobicContact CG1-CB 4.16Å; V672-H690 HydrophobicContact CG2-CB 4.29Å
673	C	80	Confident	71.6	Confident	46 Å²	46	91.2 Å²	91.2	31%	0.311	47%	0.469	S	S	.	.	T	Hydrogen-bonded Turn	trans	-133.7	17.1	-174.8	86.8	0	0	0	0	115	C670 K675 H686 H690	C670-C673 PolarHBondContact O-N 3Å; C673-K675 PolarHBondContact O-N 3.29Å; C673-H686 PolarHBondContact SG-NE2 3.49Å; C673-H690 VanDerWaalsContact SG-CE1 3.57Å; C673-H690 PolarHBondContact SG-NE2 2.75Å; C673-H690 VanDerWaalsContact SG-NE2 3.4Å
674	K	78.4	Confident	72.9	Confident	156 Å²	156	88.6 Å²	88.6	68%	0.678	46%	0.461	S	S	*	.			trans	55	7.6	173.9	-63.8	-179.9	-179	178.2	0	116.9	Q669 C670	Q669-K674 WeakPolarHBondContact CG-O 3.4Å; Q669-K674 PolarHBondContact NE2-O 3.2Å; C670-K674 WeakPolarHBondContact O-CA 3.22Å; C670-K674 PolarHBondContact O-N 3.47Å
675	K	78	Confident	74.2	Confident	130 Å²	130	84.2 Å²	84.2	57%	0.565	45%	0.445	S	S	*	.			trans	-67.3	138	177.8	-74.2	179.9	-176.1	177.5	0	111.5	Q669 C670 C673 F677	Q669-K675 CarbonylContact C-O 3.54Å; Q669-K675 WeakPolarHBondContact CA-O 3.34Å; C670-K675 PolarHBondContact N-O 3.03Å; C673-K675 PolarHBondContact O-N 3.29Å; K675-F677 HydrophobicContact CB-CE2 3.63Å; K675-F677 HydrophobicContact CB-CZ 3.92Å; K675-F677 WeakPolarHBondContact O-CD2 3.39Å; K675-F677 WeakPolarHBondContact O-CE2 3.32Å
676	I	75.7	Confident	75.6	Confident	118 Å²	118	81.7 Å²	81.7	61%	0.605	42%	0.42	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.9	120.6	-169.4	-55.5	178.7	0	0	0	110.3	F667	F667-I676 HydrophobicContact CB-CG2 3.72Å; F667-I676 HydrophobicContact CD1-CG2 4.11Å; F667-I676 HydrophobicContact CG-CG2 4.06Å
677	F	79.5	Confident	76.6	Confident	39 Å²	39	80.1 Å²	80.1	17%	0.171	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	138.6	-177.5	-63	-89	0	0	0	112.9	H668 C670 K675 G679 L683 H686	H668-F677 PolarHBondContact N-O 2.82Å; H668-F677 WeakPolarHBondContact O-CB 3.1Å; H668-F677 WeakPolarHBondContact O-CD2 3.38Å; H668-F677 PolarHBondContact O-N 2.96Å; C670-F677 HydrophobicContact CB-CE2 4.25Å; K675-F677 HydrophobicContact CB-CE2 3.63Å; K675-F677 HydrophobicContact CB-CZ 3.92Å; K675-F677 WeakPolarHBondContact O-CD2 3.39Å; K675-F677 WeakPolarHBondContact O-CE2 3.32Å; F677-G679 PolarHBondContact O-N 3.33Å; F677-L683 HydrophobicContact CB-CB 4.1Å; F677-L683 HydrophobicContact CD2-CB 4.13Å; F677-L683 HydrophobicContact CD2-CD1 3.85Å; F677-L683 HydrophobicContact CE2-CD1 4.21Å; F677-L683 HydrophobicContact CG-CB 4.26Å; F677-H686 HydrophobicContact CE1-CB 3.88Å; F677-H686 HydrophobicContact CE2-CB 3.97Å; F677-H686 AromaticContact CE2-CD2 3.15Å; F677-H686 WeakPolarHBondContact CE2-CD2 3.47Å; F677-H686 AromaticContact CE2-CG 3.61Å; F677-H686 AromaticContact CE2-NE2 3.84Å; F677-H686 HydrophobicContact CZ-CB 3.55Å; F677-H686 AromaticContact CZ-CD2 3.26Å; F677-H686 WeakPolarHBondContact CZ-CD2 3.36Å; F677-H686 AromaticContact CZ-CG 3.22Å; F677-H686 AromaticContact CZ-ND1 3.82Å; F677-H686 AromaticContact CZ-NE2 3.84Å
678	K	74.9	Confident	77.4	Confident	187 Å²	187	79.4 Å²	79.4	81%	0.813	40%	0.401	S	S	*	.	S	Bend	trans	-71.6	23	-179.8	-56.2	-172.5	178.3	-174.6	0	114.4	F667	F667-K678 HydrophobicContact CE1-CG 4.37Å
679	G	79.3	Confident	77.7	Confident	26 Å²	26	80.3 Å²	80.3	27%	0.268	41%	0.409	S	S	.	.	S	Bend	trans	157.6	153.4	175.9	0	0	0	0	0	115	F677 S681 S682 L683	F677-G679 PolarHBondContact O-N 3.33Å; G679-S681 PolarHBondContact O-N 2.98Å; G679-S682 WeakPolarHBondContact O-CB 3.44Å; G679-S682 PolarHBondContact O-N 3Å; G679-L683 PolarHBondContact O-N 3.4Å
680	K	74.1	Confident	77.4	Confident	141 Å²	141	79.1 Å²	79.1	61%	0.613	40%	0.403	S	S	*	.	H	α-helix	trans	-47.8	-53	-173.1	-69.3	-174.3	177.7	-174	0	113.9	H668 S682 L683 E684	H668-K680 WeakPolarHBondContact CD2-CG 3.12Å; H668-K680 PolarHBondContact CD2-N 3.34Å; H668-K680 WeakPolarHBondContact CE1-CE 3.39Å; H668-K680 WeakPolarHBondContact NE2-CE 3.19Å; H668-K680 WeakPolarHBondContact NE2-CG 3.01Å; K680-S682 PolarHBondContact O-N 3.31Å; K680-S682 VanDerWaalsContact O-N 3.11Å; K680-L683 PolarHBondContact O-N 3.02Å; K680-L683 VanDerWaalsContact O-N 3.16Å; K680-E684 WeakPolarHBondContact O-CB 3.12Å; K680-E684 PolarHBondContact O-N 2.74Å
681	S	76.3	Confident	77	Confident	104 Å²	104	82.8 Å²	82.8	73%	0.727	43%	0.429	S	S	*	.	H	α-helix	trans	-63.7	-19.7	-176.9	-41.5	0	0	0	0	114.2	G679 M685	G679-S681 PolarHBondContact O-N 2.98Å; S681-M685 WeakPolarHBondContact O-CB 3.47Å; S681-M685 PolarHBondContact O-N 2.68Å
682	S	80.3	Confident	76.7	Confident	49 Å²	49	78.6 Å²	78.6	34%	0.343	42%	0.416	S	S	.	.	H	α-helix	trans	-85.7	-39.8	176.5	-163	0	0	0	0	111.4	G679 K680 H686	G679-S682 WeakPolarHBondContact O-CB 3.44Å; G679-S682 PolarHBondContact O-N 3Å; K680-S682 PolarHBondContact O-N 3.31Å; K680-S682 VanDerWaalsContact O-N 3.11Å; S682-H686 WeakPolarHBondContact O-CB 3.15Å; S682-H686 PolarHBondContact O-N 2.88Å; S682-H686 VanDerWaalsContact O-N 3.13Å
683	L	81.3	Confident	76.4	Confident	12 Å²	12	79.1 Å²	79.1	6%	0.063	41%	0.412	C	S	.	.	H	α-helix	trans	-62.9	-46.7	168.6	172.1	60.4	0	0	0	111.2	H668 Q669 C670 F677 G679 K680 M685 H686 F687	H668-L683 HydrophobicContact CB-CB 3.67Å; H668-L683 HydrophobicContact CB-CD2 3.6Å; H668-L683 HydrophobicContact CB-CG 4.25Å; Q669-L683 WeakPolarHBondContact O-CD2 3.18Å; C670-L683 VanDerWaalsContact CA-CD1 3.47Å; C670-L683 HydrophobicContact CB-CD1 3.49Å; C670-L683 VanDerWaalsContact CB-CD1 3.49Å; F677-L683 HydrophobicContact CB-CB 4.1Å; F677-L683 HydrophobicContact CD2-CB 4.13Å; F677-L683 HydrophobicContact CD2-CD1 3.85Å; F677-L683 HydrophobicContact CE2-CD1 4.21Å; F677-L683 HydrophobicContact CG-CB 4.26Å; G679-L683 PolarHBondContact O-N 3.4Å; K680-L683 PolarHBondContact O-N 3.02Å; K680-L683 VanDerWaalsContact O-N 3.16Å; L683-M685 VanDerWaalsContact C-N 3.32Å; L683-M685 PolarHBondContact O-N 3.25Å; L683-H686 CarbonylContact O-C 3.59Å; L683-H686 VanDerWaalsContact O-CA 3.31Å; L683-H686 WeakPolarHBondContact O-CA 3.26Å; L683-H686 WeakPolarHBondContact O-CB 3.43Å; L683-H686 PolarHBondContact O-N 3.33Å; L683-F687 HydrophobicContact CD1-CD2 3.82Å; L683-F687 HydrophobicContact CD1-CE1 4.37Å; L683-F687 HydrophobicContact CD1-CE2 3.67Å; L683-F687 HydrophobicContact CD1-CG 4.24Å; L683-F687 HydrophobicContact CD1-CZ 3.94Å; L683-F687 HydrophobicContact CD2-CD2 4.15Å; L683-F687 HydrophobicContact CD2-CE2 3.46Å; L683-F687 VanDerWaalsContact CD2-CE2 3.46Å; L683-F687 HydrophobicContact CD2-CZ 4.04Å; L683-F687 HydrophobicContact CG-CD2 3.64Å; L683-F687 HydrophobicContact CG-CE2 3.47Å; L683-F687 VanDerWaalsContact CG-CE2 3.47Å; L683-F687 HydrophobicContact CG-CZ 4.2Å; L683-F687 PolarHBondContact O-N 3.3Å
684	E	76	Confident	76.1	Confident	83 Å²	83	81.7 Å²	81.7	39%	0.388	42%	0.418	S	S	.	.	H	α-helix	trans	-54	-47.1	176.5	171.6	53.5	-146.3	0	0	112.1	K680 H686 F687 R688	K680-E684 WeakPolarHBondContact O-CB 3.12Å; K680-E684 PolarHBondContact O-N 2.74Å; E684-H686 PolarHBondContact O-N 3.43Å; E684-F687 PolarHBondContact O-N 3.22Å; E684-R688 WeakPolarHBondContact O-CG 3.38Å; E684-R688 PolarHBondContact O-N 3.11Å; E684-R688 IonicContact OE1-CZ 3.2Å; E684-R688 IonicContact OE1-NE 2.83Å; E684-R688 PolarHBondContact OE1-NE 2.73Å; E684-R688 IonicContact OE1-NH2 2.7Å; E684-R688 PolarHBondContact OE1-NH2 3.13Å
685	M	75.5	Confident	75.9	Confident	82 Å²	82	77.6 Å²	77.6	40%	0.404	41%	0.407	S	S	.	.	H	α-helix	trans	-62.8	-26.5	174.3	-176.1	178.1	66	0	0	112.9	S681 L683 I707	S681-M685 WeakPolarHBondContact O-CB 3.47Å; S681-M685 PolarHBondContact O-N 2.68Å; L683-M685 VanDerWaalsContact C-N 3.32Å; L683-M685 PolarHBondContact O-N 3.25Å; M685-I707 HydrophobicContact CG-CD1 4Å; M685-I707 HydrophobicContact CG-CG1 3.99Å; M685-I707 HydrophobicContact SD-CD1 3.77Å; M685-I707 HydrophobicContact SD-CG1 4.14Å; M685-I707 HydrophobicContact SD-CG2 4.12Å
686	H	79.9	Confident	75.7	Confident	25 Å²	25	75.2 Å²	75.2	12%	0.116	40%	0.395	C	S	.	.	H	α-helix	trans	-88.2	-32.8	177.1	173	63	0	0	0	113.7	C673 F677 S682 L683 E684 R688 T689 H690	C673-H686 PolarHBondContact SG-NE2 3.49Å; F677-H686 HydrophobicContact CE1-CB 3.88Å; F677-H686 HydrophobicContact CE2-CB 3.97Å; F677-H686 AromaticContact CE2-CD2 3.15Å; F677-H686 WeakPolarHBondContact CE2-CD2 3.47Å; F677-H686 AromaticContact CE2-CG 3.61Å; F677-H686 AromaticContact CE2-NE2 3.84Å; F677-H686 HydrophobicContact CZ-CB 3.55Å; F677-H686 AromaticContact CZ-CD2 3.26Å; F677-H686 WeakPolarHBondContact CZ-CD2 3.36Å; F677-H686 AromaticContact CZ-CG 3.22Å; F677-H686 AromaticContact CZ-ND1 3.82Å; F677-H686 AromaticContact CZ-NE2 3.84Å; S682-H686 WeakPolarHBondContact O-CB 3.15Å; S682-H686 PolarHBondContact O-N 2.88Å; S682-H686 VanDerWaalsContact O-N 3.13Å; L683-H686 CarbonylContact O-C 3.59Å; L683-H686 VanDerWaalsContact O-CA 3.31Å; L683-H686 WeakPolarHBondContact O-CA 3.26Å; L683-H686 WeakPolarHBondContact O-CB 3.43Å; L683-H686 PolarHBondContact O-N 3.33Å; E684-H686 PolarHBondContact O-N 3.43Å; H686-R688 PolarHBondContact O-N 2.95Å; H686-T689 PolarHBondContact CE1-OG1 3.45Å; H686-T689 PolarHBondContact ND1-OG1 3.49Å; H686-T689 VanDerWaalsContact ND1-OG1 3.09Å; H686-T689 WeakPolarHBondContact O-CA 3.47Å; H686-T689 VanDerWaalsContact O-CB 3.29Å; H686-T689 WeakPolarHBondContact O-CB 3.08Å; H686-T689 PolarHBondContact O-N 2.98Å; H686-T689 PolarHBondContact O-OG1 2.89Å; H686-H690 AromaticContact CD2-NE2 3.89Å; H686-H690 AromaticContact CE1-CE1 3.95Å; H686-H690 AromaticContact CE1-NE2 3.31Å; H686-H690 PolarHBondContact CE1-NE2 3.31Å; H686-H690 VanDerWaalsContact CE1-NE2 3.31Å; H686-H690 AromaticContact NE2-CD2 3.85Å; H686-H690 AromaticContact NE2-CE1 3.98Å; H686-H690 AromaticContact NE2-NE2 3.02Å; H686-H690 PolarHBondContact NE2-NE2 3.07Å
687	F	76	Confident	75.8	Confident	51 Å²	51	76.1 Å²	76.1	22%	0.224	40%	0.395	C	S	.	.	H	α-helix	trans	-58.7	-37.4	172.9	-87.4	-51.6	0	0	0	111.2	C670 D671 L683 E684 T689 H690 S691	C670-F687 HydrophobicContact CB-CE1 4.37Å; C670-F687 VanDerWaalsContact SG-CD1 3.6Å; C670-F687 WeakPolarHBondContact SG-CE1 3.35Å; D671-F687 WeakPolarHBondContact OD2-CZ 3.39Å; L683-F687 HydrophobicContact CD1-CD2 3.82Å; L683-F687 HydrophobicContact CD1-CE1 4.37Å; L683-F687 HydrophobicContact CD1-CE2 3.67Å; L683-F687 HydrophobicContact CD1-CG 4.24Å; L683-F687 HydrophobicContact CD1-CZ 3.94Å; L683-F687 HydrophobicContact CD2-CD2 4.15Å; L683-F687 HydrophobicContact CD2-CE2 3.46Å; L683-F687 VanDerWaalsContact CD2-CE2 3.46Å; L683-F687 HydrophobicContact CD2-CZ 4.04Å; L683-F687 HydrophobicContact CG-CD2 3.64Å; L683-F687 HydrophobicContact CG-CE2 3.47Å; L683-F687 VanDerWaalsContact CG-CE2 3.47Å; L683-F687 HydrophobicContact CG-CZ 4.2Å; L683-F687 PolarHBondContact O-N 3.3Å; E684-F687 PolarHBondContact O-N 3.22Å; F687-T689 PolarHBondContact O-N 2.91Å; F687-H690 WeakPolarHBondContact O-CA 3.47Å; F687-H690 WeakPolarHBondContact O-CB 3.41Å; F687-H690 PolarHBondContact O-N 3.46Å; F687-S691 PolarHBondContact O-N 3.29Å; F687-S691 PolarHBondContact O-OG 3.21Å
688	R	77.7	Confident	75.9	Confident	57 Å²	57	74.3 Å²	74.3	22%	0.215	39%	0.387	C	S	.	.	H	α-helix	trans	-60.3	-9.8	170.3	-60.4	168.4	-166.2	-146	-4.4	114.4	E684 H686 E693 R706	E684-R688 WeakPolarHBondContact O-CG 3.38Å; E684-R688 PolarHBondContact O-N 3.11Å; E684-R688 IonicContact OE1-CZ 3.2Å; E684-R688 IonicContact OE1-NE 2.83Å; E684-R688 PolarHBondContact OE1-NE 2.73Å; E684-R688 IonicContact OE1-NH2 2.7Å; E684-R688 PolarHBondContact OE1-NH2 3.13Å; H686-R688 PolarHBondContact O-N 2.95Å; R688-E693 HydrophobicContact CG-CB 4.47Å; R688-R706 WeakPolarHBondContact O-CD 3.26Å
689	T	74.4	Confident	75.9	Confident	56 Å²	56	73.1 Å²	73.1	34%	0.344	38%	0.384	S	S	.	.	H	α-helix	trans	-81.5	-27.8	168.3	70.3	0	0	0	0	113	H686 F687 R706	H686-T689 PolarHBondContact CE1-OG1 3.45Å; H686-T689 PolarHBondContact ND1-OG1 3.49Å; H686-T689 VanDerWaalsContact ND1-OG1 3.09Å; H686-T689 WeakPolarHBondContact O-CA 3.47Å; H686-T689 VanDerWaalsContact O-CB 3.29Å; H686-T689 WeakPolarHBondContact O-CB 3.08Å; H686-T689 PolarHBondContact O-N 2.98Å; H686-T689 PolarHBondContact O-OG1 2.89Å; F687-T689 PolarHBondContact O-N 2.91Å; T689-R706 PolarHBondContact O-NH1 3.17Å; T689-R706 VanDerWaalsContact O-NH1 3.11Å
690	H	74.3	Confident	75.8	Confident	71 Å²	71	77.1 Å²	77.1	33%	0.329	40%	0.399	S	S	.	.	H	α-helix	trans	-88.7	-50.6	174.5	-57	-59.8	0	0	0	112	C670 V672 C673 H686 F687 G692	C670-H690 PolarHBondContact SG-CD2 2.85Å; C670-H690 PolarHBondContact SG-NE2 3.27Å; V672-H690 HydrophobicContact CB-CB 4.4Å; V672-H690 HydrophobicContact CG1-CB 4.16Å; V672-H690 HydrophobicContact CG2-CB 4.29Å; C673-H690 VanDerWaalsContact SG-CE1 3.57Å; C673-H690 PolarHBondContact SG-NE2 2.75Å; C673-H690 VanDerWaalsContact SG-NE2 3.4Å; H686-H690 AromaticContact CD2-NE2 3.89Å; H686-H690 AromaticContact CE1-CE1 3.95Å; H686-H690 AromaticContact CE1-NE2 3.31Å; H686-H690 PolarHBondContact CE1-NE2 3.31Å; H686-H690 VanDerWaalsContact CE1-NE2 3.31Å; H686-H690 AromaticContact NE2-CD2 3.85Å; H686-H690 AromaticContact NE2-CE1 3.98Å; H686-H690 AromaticContact NE2-NE2 3.02Å; H686-H690 PolarHBondContact NE2-NE2 3.07Å; F687-H690 WeakPolarHBondContact O-CA 3.47Å; F687-H690 WeakPolarHBondContact O-CB 3.41Å; F687-H690 PolarHBondContact O-N 3.46Å; H690-G692 PolarHBondContact O-N 3.13Å
691	S	71.6	Confident	76	Confident	77 Å²	77	72.6 Å²	72.6	54%	0.538	38%	0.384	S	S	.	.	S	Bend	trans	-66.5	0.5	-179.5	-41.9	0	0	0	0	114.4	F687 E693	F687-S691 PolarHBondContact O-N 3.29Å; F687-S691 PolarHBondContact O-OG 3.21Å; S691-E693 PolarHBondContact O-N 3.32Å
692	G	70.5	Confident	75.7	Confident	41 Å²	41	73.3 Å²	73.3	42%	0.423	38%	0.379	S	S	.	.			trans	67.6	-14.9	-177.3	0	0	0	0	0	116	H690 K694	H690-G692 PolarHBondContact O-N 3.13Å; G692-K694 WeakPolarHBondContact O-CG 3.34Å; G692-K694 PolarHBondContact O-N 2.94Å
693	E	71.2	Confident	75.5	Confident	111 Å²	111	76 Å²	76	52%	0.519	39%	0.387	S	S	.	.			trans	-54.8	120.9	-170.8	-70.6	-172.5	-168.2	0	0	114.3	R688 S691 P695	R688-E693 HydrophobicContact CG-CB 4.47Å; S691-E693 PolarHBondContact O-N 3.32Å; E693-P695 VanDerWaalsContact C-CD 3.42Å; E693-P695 VanDerWaalsContact O-CD 3.29Å; E693-P695 WeakPolarHBondContact O-CD 3.42Å
694	K	72.9	Confident	75.4	Confident	100 Å²	100	77.6 Å²	77.6	44%	0.435	40%	0.399	S	S	.	.			trans	-120.3	70.1	178.1	-71.2	160.3	170.1	-171.8	0	110.5	G692 Y696 S704 F705 R706	G692-K694 WeakPolarHBondContact O-CG 3.34Å; G692-K694 PolarHBondContact O-N 2.94Å; K694-Y696 PolarHBondContact O-N 3.44Å; K694-Y696 VanDerWaalsContact O-N 3.14Å; K694-S704 VanDerWaalsContact CD-O 3.31Å; K694-S704 WeakPolarHBondContact CD-O 3.45Å; K694-S704 WeakPolarHBondContact CD-OG 3.34Å; K694-F705 CarbonylContact C-O 3.39Å; K694-F705 WeakPolarHBondContact CA-O 3.39Å; K694-R706 HydrophobicContact CG-CG 3.7Å
695	P	75.3	Confident	75.6	Confident	70 Å²	70	75.3 Å²	75.3	46%	0.455	39%	0.388	S	S	.	.			trans	-68.1	-12.7	-171.6	26.7	-35	0	0	0	114.4	E693	E693-P695 VanDerWaalsContact C-CD 3.42Å; E693-P695 VanDerWaalsContact O-CD 3.29Å; E693-P695 WeakPolarHBondContact O-CD 3.42Å
696	Y	74.1	Confident	75.7	Confident	80 Å²	80	76.3 Å²	76.3	31%	0.314	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	89.9	-178.9	-58.5	-73.8	0	0	0	110.6	K694 F705 K708	K694-Y696 PolarHBondContact O-N 3.44Å; K694-Y696 VanDerWaalsContact O-N 3.14Å; Y696-F705 WeakPolarHBondContact CB-O 3.33Å; Y696-F705 PolarHBondContact N-O 3.09Å; Y696-F705 VanDerWaalsContact N-O 3.15Å; Y696-F705 WeakPolarHBondContact O-CB 3.28Å; Y696-F705 PolarHBondContact O-N 2.59Å; Y696-K708 HydrophobicContact CD1-CB 4.02Å; Y696-K708 HydrophobicContact CD1-CG 4.29Å; Y696-K708 HydrophobicContact CD2-CB 4.42Å; Y696-K708 VanDerWaalsContact CD2-N 3.32Å; Y696-K708 HydrophobicContact CE1-CB 3.75Å; Y696-K708 HydrophobicContact CE1-CD 4.28Å; Y696-K708 HydrophobicContact CE1-CG 4.16Å; Y696-K708 HydrophobicContact CE2-CB 4.17Å; Y696-K708 HydrophobicContact CG-CB 4.34Å
697	K	76.1	Confident	75.7	Confident	137 Å²	137	77.8 Å²	77.8	60%	0.596	40%	0.395	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.9	141.3	174.4	-61.1	-177.7	-179.5	-180	0	111.3
698	C	81.7	Confident	75.9	Confident	0 Å²	0	82 Å²	82	0%	0	41%	0.414	C	S	.	.			trans	-84.2	125.2	167.1	-179.4	0	0	0	0	109.6	I700 N702 Q703 F705 L711 H714	C698-I700 PolarHBondContact O-N 2.82Å; C698-N702 WeakPolarHBondContact O-CA 3.37Å; C698-N702 PolarHBondContact O-N 3.05Å; C698-Q703 PolarHBondContact N-O 3.07Å; C698-F705 HydrophobicContact CB-CE2 4.15Å; C698-L711 HydrophobicContact CB-CD1 3.64Å; C698-H714 WeakPolarHBondContact CB-NE2 3.27Å; C698-H714 PolarHBondContact SG-NE2 3.13Å
699	Q	76.1	Confident	75.9	Confident	162 Å²	162	87.4 Å²	87.4	76%	0.757	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-10.7	-178.2	-53.2	-63.3	16.1	0	0	113.9
700	I	76.4	Confident	76.2	Confident	111 Å²	111	87.7 Å²	87.7	57%	0.569	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.6	-32	-173	-51.4	173.2	0	0	0	111.8	C698 L715 H718	C698-I700 PolarHBondContact O-N 2.82Å; I700-L715 HydrophobicContact CD1-CD2 4.28Å; I700-H718 HydrophobicContact CD1-CB 3.64Å; I700-H718 HydrophobicContact CG2-CB 4.38Å; I700-H718 WeakPolarHBondContact CG2-ND1 3.38Å
701	C	78.7	Confident	76.5	Confident	45 Å²	45	85.4 Å²	85.4	30%	0.304	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	-133.3	9.7	177.8	67.2	0	0	0	0	114.3	Q703 H714 H718	C701-Q703 PolarHBondContact O-N 3.2Å; C701-Q703 VanDerWaalsContact SG-CG 3.57Å; C701-H714 PolarHBondContact SG-CE1 2.85Å; C701-H714 PolarHBondContact SG-NE2 2.94Å; C701-H718 PolarHBondContact SG-NE2 2.72Å
702	N	70.7	Confident	76.9	Confident	119 Å²	119	85.4 Å²	85.4	64%	0.636	43%	0.427	S	S	*	.			trans	57.4	4.2	-178.1	-66.8	-57.6	0	0	0	116.5	C698 S704	C698-N702 WeakPolarHBondContact O-CA 3.37Å; C698-N702 PolarHBondContact O-N 3.05Å; N702-S704 PolarHBondContact O-N 2.97Å
703	Q	75.8	Confident	77	Confident	106 Å²	106	87.9 Å²	87.9	50%	0.495	43%	0.427	S	S	.	.			trans	-58.7	134.5	173.6	-72.3	-174.1	12.7	0	0	110.9	C698 C701 F705 H714	C698-Q703 PolarHBondContact N-O 3.07Å; C701-Q703 PolarHBondContact O-N 3.2Å; C701-Q703 VanDerWaalsContact SG-CG 3.57Å; Q703-F705 HydrophobicContact CB-CE2 3.66Å; Q703-F705 HydrophobicContact CB-CZ 3.81Å; Q703-F705 WeakPolarHBondContact O-CD2 3.5Å; Q703-F705 VanDerWaalsContact O-CE2 3.28Å; Q703-F705 WeakPolarHBondContact O-CE2 3.23Å; Q703-H714 PolarHBondContact OE1-CE1 3.27Å
704	S	78.9	Confident	77.3	Confident	46 Å²	46	83.2 Å²	83.2	32%	0.322	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	128	-170.3	51.1	0	0	0	0	111.2	K694 N702	K694-S704 VanDerWaalsContact CD-O 3.31Å; K694-S704 WeakPolarHBondContact CD-O 3.45Å; K694-S704 WeakPolarHBondContact CD-OG 3.34Å; N702-S704 PolarHBondContact O-N 2.97Å
705	F	79.2	Confident	77.4	Confident	35 Å²	35	81.8 Å²	81.8	15%	0.154	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	141.9	-170	-62.4	-86.5	0	0	0	112.2	K694 Y696 C698 Q703 I707 L711 H714	K694-F705 CarbonylContact C-O 3.39Å; K694-F705 WeakPolarHBondContact CA-O 3.39Å; Y696-F705 WeakPolarHBondContact CB-O 3.33Å; Y696-F705 PolarHBondContact N-O 3.09Å; Y696-F705 VanDerWaalsContact N-O 3.15Å; Y696-F705 WeakPolarHBondContact O-CB 3.28Å; Y696-F705 PolarHBondContact O-N 2.59Å; C698-F705 HydrophobicContact CB-CE2 4.15Å; Q703-F705 HydrophobicContact CB-CE2 3.66Å; Q703-F705 HydrophobicContact CB-CZ 3.81Å; Q703-F705 WeakPolarHBondContact O-CD2 3.5Å; Q703-F705 VanDerWaalsContact O-CE2 3.28Å; Q703-F705 WeakPolarHBondContact O-CE2 3.23Å; F705-I707 VanDerWaalsContact C-N 3.34Å; F705-L711 HydrophobicContact CB-CB 4.17Å; F705-L711 HydrophobicContact CD2-CB 4.06Å; F705-L711 HydrophobicContact CD2-CD1 3.82Å; F705-L711 HydrophobicContact CE2-CD1 4.1Å; F705-L711 HydrophobicContact CG-CB 4.2Å; F705-H714 HydrophobicContact CE1-CB 3.93Å; F705-H714 HydrophobicContact CE2-CB 4.11Å; F705-H714 AromaticContact CE2-CD2 3.41Å; F705-H714 VanDerWaalsContact CE2-CD2 3.41Å; F705-H714 WeakPolarHBondContact CE2-CD2 3.47Å; F705-H714 AromaticContact CE2-CG 3.64Å; F705-H714 AromaticContact CE2-NE2 3.81Å; F705-H714 HydrophobicContact CZ-CB 3.58Å; F705-H714 AromaticContact CZ-CD2 3.53Å; F705-H714 AromaticContact CZ-CE1 3.89Å; F705-H714 AromaticContact CZ-CG 3.24Å; F705-H714 AromaticContact CZ-ND1 3.5Å; F705-H714 WeakPolarHBondContact CZ-ND1 3.5Å; F705-H714 AromaticContact CZ-NE2 3.92Å
706	R	78.9	Confident	77.5	Confident	102 Å²	102	80.5 Å²	80.5	39%	0.385	39%	0.392	S	S	.	.	S	Bend	trans	-74.4	-21.8	177.9	-60.5	-168.3	-98.4	-148.3	0.6	113.3	R688 T689 K694	R688-R706 WeakPolarHBondContact O-CD 3.26Å; T689-R706 PolarHBondContact O-NH1 3.17Å; T689-R706 VanDerWaalsContact O-NH1 3.11Å; K694-R706 HydrophobicContact CG-CG 3.7Å
707	I	79.6	Confident	77.3	Confident	57 Å²	57	81.2 Å²	81.2	29%	0.292	40%	0.4	S	S	.	.	S	Bend	trans	-136.2	134.4	-171.7	-47.1	174.3	0	0	0	110.4	M685 F705 K709 T710 L711	M685-I707 HydrophobicContact CG-CD1 4Å; M685-I707 HydrophobicContact CG-CG1 3.99Å; M685-I707 HydrophobicContact SD-CD1 3.77Å; M685-I707 HydrophobicContact SD-CG1 4.14Å; M685-I707 HydrophobicContact SD-CG2 4.12Å; F705-I707 VanDerWaalsContact C-N 3.34Å; I707-K709 HydrophobicContact CG2-CB 4.1Å; I707-K709 PolarHBondContact O-N 2.85Å; I707-T710 HydrophobicContact CB-CG2 4.5Å; I707-T710 PolarHBondContact O-N 3.02Å; I707-T710 PolarHBondContact O-OG1 2.84Å; I707-L711 PolarHBondContact O-N 3.19Å
708	K	79.3	Confident	77	Confident	139 Å²	139	78 Å²	78	60%	0.604	39%	0.387	S	S	*	.	H	α-helix	trans	-55	-38.9	176.5	-169.6	171	-179.4	174.2	0	112.5	Y696 T710 L711 T712	Y696-K708 HydrophobicContact CD1-CB 4.02Å; Y696-K708 HydrophobicContact CD1-CG 4.29Å; Y696-K708 HydrophobicContact CD2-CB 4.42Å; Y696-K708 VanDerWaalsContact CD2-N 3.32Å; Y696-K708 HydrophobicContact CE1-CB 3.75Å; Y696-K708 HydrophobicContact CE1-CD 4.28Å; Y696-K708 HydrophobicContact CE1-CG 4.16Å; Y696-K708 HydrophobicContact CE2-CB 4.17Å; Y696-K708 HydrophobicContact CG-CB 4.34Å; K708-T710 VanDerWaalsContact C-N 3.32Å; K708-T710 PolarHBondContact O-N 3.43Å; K708-L711 PolarHBondContact O-N 2.97Å; K708-T712 PolarHBondContact O-N 2.92Å; K708-T712 PolarHBondContact O-OG1 3.23Å; K708-T712 VanDerWaalsContact O-OG1 3.08Å
709	K	78.1	Confident	76.3	Confident	171 Å²	171	80.1 Å²	80.1	74%	0.743	40%	0.402	S	S	*	.	H	α-helix	trans	-60.7	-34.2	175.9	-68.1	-174.3	177.9	-178.2	0	113.5	I707 K713	I707-K709 HydrophobicContact CG2-CB 4.1Å; I707-K709 PolarHBondContact O-N 2.85Å; K709-K713 PolarHBondContact O-N 3.06Å
710	T	80.1	Confident	75.5	Confident	61 Å²	61	78.9 Å²	78.9	37%	0.374	40%	0.401	S	S	.	.	H	α-helix	trans	-78.1	-36	176.8	50.2	0	0	0	0	111.6	I707 K708 K713 H714	I707-T710 HydrophobicContact CB-CG2 4.5Å; I707-T710 PolarHBondContact O-N 3.02Å; I707-T710 PolarHBondContact O-OG1 2.84Å; K708-T710 VanDerWaalsContact C-N 3.32Å; K708-T710 PolarHBondContact O-N 3.43Å; T710-K713 PolarHBondContact O-N 2.9Å; T710-H714 WeakPolarHBondContact O-CB 3.28Å; T710-H714 PolarHBondContact O-N 3.22Å
711	L	81.1	Confident	75	Confident	23 Å²	23	76.6 Å²	76.6	12%	0.12	40%	0.398	C	S	.	.	H	α-helix	trans	-57.9	-48.1	167.1	174.3	60.6	0	0	0	111	C698 F705 I707 K708 K713 H714 L715	C698-L711 HydrophobicContact CB-CD1 3.64Å; F705-L711 HydrophobicContact CB-CB 4.17Å; F705-L711 HydrophobicContact CD2-CB 4.06Å; F705-L711 HydrophobicContact CD2-CD1 3.82Å; F705-L711 HydrophobicContact CE2-CD1 4.1Å; F705-L711 HydrophobicContact CG-CB 4.2Å; I707-L711 PolarHBondContact O-N 3.19Å; K708-L711 PolarHBondContact O-N 2.97Å; L711-K713 PolarHBondContact O-N 3.25Å; L711-H714 CarbonylContact O-C 3.3Å; L711-H714 WeakPolarHBondContact O-CA 3.48Å; L711-H714 WeakPolarHBondContact O-CB 3.44Å; L711-H714 PolarHBondContact O-N 3.39Å; L711-L715 HydrophobicContact CD1-CD1 4.21Å; L711-L715 HydrophobicContact CD1-CD2 4.32Å; L711-L715 HydrophobicContact CD1-CG 3.97Å; L711-L715 HydrophobicContact CG-CD1 4.06Å; L711-L715 HydrophobicContact CG-CG 4.3Å; L711-L715 WeakPolarHBondContact O-CG 3.34Å; L711-L715 PolarHBondContact O-N 2.92Å
712	T	79.2	Confident	74.4	Confident	78 Å²	78	80.8 Å²	80.8	48%	0.479	41%	0.408	S	S	.	.	H	α-helix	trans	-60.3	-43.6	177.3	-52.3	0	0	0	0	112.3	K708 H714 L715 V716	K708-T712 PolarHBondContact O-N 2.92Å; K708-T712 PolarHBondContact O-OG1 3.23Å; K708-T712 VanDerWaalsContact O-OG1 3.08Å; T712-H714 PolarHBondContact O-N 2.99Å; T712-L715 PolarHBondContact O-N 3.13Å; T712-V716 PolarHBondContact O-N 2.9Å
713	K	73.4	Confident	74.3	Confident	93 Å²	93	79.1 Å²	79.1	40%	0.404	40%	0.403	S	S	.	.	H	α-helix	trans	-64.7	-23.7	173.9	-79.8	-162.1	171.7	-164.1	0	113.6	K709 T710 L711 D737	K709-K713 PolarHBondContact O-N 3.06Å; T710-K713 PolarHBondContact O-N 2.9Å; L711-K713 PolarHBondContact O-N 3.25Å; K713-D737 VanDerWaalsContact NZ-CG 3.33Å; K713-D737 IonicContact NZ-OD1 3.53Å; K713-D737 PolarHBondContact NZ-OD1 3.37Å; K713-D737 VanDerWaalsContact NZ-OD1 3.13Å; K713-D737 IonicContact NZ-OD2 2.8Å; K713-D737 PolarHBondContact NZ-OD2 3.27Å
714	H	77.6	Confident	74.1	Confident	13 Å²	13	77.4 Å²	77.4	6%	0.06	39%	0.394	C	S	.	.	H	α-helix	trans	-85.9	-35.2	176.7	161.5	85.7	0	0	0	112.7	C698 C701 Q703 F705 T710 L711 T712 V716 I717 H718	C698-H714 WeakPolarHBondContact CB-NE2 3.27Å; C698-H714 PolarHBondContact SG-NE2 3.13Å; C701-H714 PolarHBondContact SG-CE1 2.85Å; C701-H714 PolarHBondContact SG-NE2 2.94Å; Q703-H714 PolarHBondContact OE1-CE1 3.27Å; F705-H714 HydrophobicContact CE1-CB 3.93Å; F705-H714 HydrophobicContact CE2-CB 4.11Å; F705-H714 AromaticContact CE2-CD2 3.41Å; F705-H714 VanDerWaalsContact CE2-CD2 3.41Å; F705-H714 WeakPolarHBondContact CE2-CD2 3.47Å; F705-H714 AromaticContact CE2-CG 3.64Å; F705-H714 AromaticContact CE2-NE2 3.81Å; F705-H714 HydrophobicContact CZ-CB 3.58Å; F705-H714 AromaticContact CZ-CD2 3.53Å; F705-H714 AromaticContact CZ-CE1 3.89Å; F705-H714 AromaticContact CZ-CG 3.24Å; F705-H714 AromaticContact CZ-ND1 3.5Å; F705-H714 WeakPolarHBondContact CZ-ND1 3.5Å; F705-H714 AromaticContact CZ-NE2 3.92Å; T710-H714 WeakPolarHBondContact O-CB 3.28Å; T710-H714 PolarHBondContact O-N 3.22Å; L711-H714 CarbonylContact O-C 3.3Å; L711-H714 WeakPolarHBondContact O-CA 3.48Å; L711-H714 WeakPolarHBondContact O-CB 3.44Å; L711-H714 PolarHBondContact O-N 3.39Å; T712-H714 PolarHBondContact O-N 2.99Å; H714-V716 PolarHBondContact O-N 2.64Å; H714-I717 WeakPolarHBondContact O-CA 3.34Å; H714-I717 WeakPolarHBondContact O-CB 3.36Å; H714-I717 WeakPolarHBondContact O-CG1 3.32Å; H714-I717 PolarHBondContact O-N 3.38Å; H714-H718 AromaticContact CE1-NE2 3.59Å; H714-H718 AromaticContact NE2-CD2 3.65Å; H714-H718 AromaticContact NE2-NE2 3.37Å; H714-H718 PolarHBondContact NE2-NE2 2.8Å
715	L	75.6	Confident	74	Confident	69 Å²	69	80 Å²	80	36%	0.361	40%	0.404	S	S	.	.	H	α-helix	trans	-59.8	-29.9	174.1	-71.7	169.1	0	0	0	112	I700 L711 T712 I717 H718 S719	I700-L715 HydrophobicContact CD1-CD2 4.28Å; L711-L715 HydrophobicContact CD1-CD1 4.21Å; L711-L715 HydrophobicContact CD1-CD2 4.32Å; L711-L715 HydrophobicContact CD1-CG 3.97Å; L711-L715 HydrophobicContact CG-CD1 4.06Å; L711-L715 HydrophobicContact CG-CG 4.3Å; L711-L715 WeakPolarHBondContact O-CG 3.34Å; L711-L715 PolarHBondContact O-N 2.92Å; T712-L715 PolarHBondContact O-N 3.13Å; L715-I717 PolarHBondContact O-N 2.8Å; L715-H718 PolarHBondContact O-N 2.99Å; L715-S719 PolarHBondContact O-N 3.25Å; L715-S719 VanDerWaalsContact O-N 3.17Å
716	V	76.4	Confident	74.1	Confident	43 Å²	43	78.9 Å²	78.9	26%	0.261	40%	0.401	S	S	.	.	H	α-helix	trans	-64.6	-16.5	172	-175.8	0	0	0	0	112.8	T712 H714 S719 K734	T712-V716 PolarHBondContact O-N 2.9Å; H714-V716 PolarHBondContact O-N 2.64Å; V716-S719 WeakPolarHBondContact CA-OG 3.46Å; V716-S719 PolarHBondContact O-OG 3.43Å; V716-S719 VanDerWaalsContact O-OG 3.07Å; V716-K734 HydrophobicContact CG1-CB 4.34Å; V716-K734 VanDerWaalsContact CG1-O 3.22Å; V716-K734 WeakPolarHBondContact CG1-O 3.45Å; V716-K734 WeakPolarHBondContact O-CD 3.44Å
717	I	70.8	Confident	74	Confident	96 Å²	96	82.8 Å²	82.8	49%	0.492	42%	0.424	S	S	.	.	H	α-helix	trans	-74	-37	171.8	-54	173.5	0	0	0	110.4	H714 L715 K734	H714-I717 WeakPolarHBondContact O-CA 3.34Å; H714-I717 WeakPolarHBondContact O-CB 3.36Å; H714-I717 WeakPolarHBondContact O-CG1 3.32Å; H714-I717 PolarHBondContact O-N 3.38Å; L715-I717 PolarHBondContact O-N 2.8Å; I717-K734 PolarHBondContact O-NZ 3.17Å
718	H	69.6	Low	73.8	Confident	68 Å²	68	85.8 Å²	85.8	32%	0.315	44%	0.436	S	S	.	.	H	α-helix	trans	-78.9	-19.2	177.9	-70.3	-66.4	0	0	0	114.1	I700 C701 H714 L715	I700-H718 HydrophobicContact CD1-CB 3.64Å; I700-H718 HydrophobicContact CG2-CB 4.38Å; I700-H718 WeakPolarHBondContact CG2-ND1 3.38Å; C701-H718 PolarHBondContact SG-NE2 2.72Å; H714-H718 AromaticContact CE1-NE2 3.59Å; H714-H718 AromaticContact NE2-CD2 3.65Å; H714-H718 AromaticContact NE2-NE2 3.37Å; H714-H718 PolarHBondContact NE2-NE2 2.8Å; L715-H718 PolarHBondContact O-N 2.99Å
719	S	67.6	Low	73.8	Confident	46 Å²	46	81.4 Å²	81.4	32%	0.322	42%	0.423	S	S	.	.	S	Bend	trans	-84.2	132.3	164.1	61.8	0	0	0	0	110.2	L715 V716 A721 K734	L715-S719 PolarHBondContact O-N 3.25Å; L715-S719 VanDerWaalsContact O-N 3.17Å; V716-S719 WeakPolarHBondContact CA-OG 3.46Å; V716-S719 PolarHBondContact O-OG 3.43Å; V716-S719 VanDerWaalsContact O-OG 3.07Å; S719-A721 PolarHBondContact O-N 3.46Å; S719-K734 WeakPolarHBondContact O-CE 3.22Å; S719-K734 PolarHBondContact O-NZ 3Å
720	D	58.9	Low	73.5	Confident	136 Å²	136	81.2 Å²	81.2	73%	0.727	43%	0.43	S	S	*	.			trans	-82.8	-1.1	171.5	-70.8	-51.6	0	0	0	114.6	R722 K734	D720-R722 PolarHBondContact O-N 3.4Å; D720-K734 IonicContact OD1-NZ 2.68Å; D720-K734 PolarHBondContact OD1-NZ 2.95Å
721	A	65.3	Low	73.3	Confident	62 Å²	62	79.7 Å²	79.7	51%	0.512	42%	0.423	S	S	.	.			trans	-52.3	120.4	158.7	0	0	0	0	0	110.6	S719 P723	S719-A721 PolarHBondContact O-N 3.46Å; A721-P723 WeakPolarHBondContact O-CD 3.4Å
722	R	67	Low	73.1	Confident	134 Å²	134	80.9 Å²	80.9	51%	0.506	43%	0.432	S	S	.	.			trans	-110.6	86.4	173	-65.1	176	177.9	-151.6	8.4	108	D720 F724 N725 T732 F733 K734	D720-R722 PolarHBondContact O-N 3.4Å; R722-F724 PolarHBondContact O-N 3.16Å; R722-F724 VanDerWaalsContact O-N 3.13Å; R722-N725 PolarHBondContact O-OD1 3.01Å; R722-T732 WeakPolarHBondContact CD-O 3.15Å; R722-T732 WeakPolarHBondContact CD-OG1 3.49Å; R722-T732 PolarHBondContact NH1-O 3.11Å; R722-T732 VanDerWaalsContact NH1-O 3.11Å; R722-T732 PolarHBondContact NH1-OG1 3.48Å; R722-F733 CarbonylContact C-O 3.22Å; R722-K734 HydrophobicContact CG-CG 3.85Å
723	P	68.9	Low	73	Confident	83 Å²	83	79.2 Å²	79.2	54%	0.539	42%	0.418	S	S	.	.			trans	-79.1	1.4	-163.6	-14.2	31.5	0	0	0	114.7	A721	A721-P723 WeakPolarHBondContact O-CD 3.4Å
724	F	71.3	Confident	72.8	Confident	71 Å²	71	77.3 Å²	77.3	31%	0.311	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	90.9	-170.6	-55.8	-73.1	0	0	0	109.3	R722 F733 K736 L739	R722-F724 PolarHBondContact O-N 3.16Å; R722-F724 VanDerWaalsContact O-N 3.13Å; F724-F733 HydrophobicContact CB-CB 4.34Å; F724-F733 PolarHBondContact N-O 3.1Å; F724-F733 WeakPolarHBondContact O-CB 3.2Å; F724-F733 WeakPolarHBondContact O-CD2 3.24Å; F724-F733 PolarHBondContact O-N 3.28Å; F724-K736 HydrophobicContact CD1-CB 3.84Å; F724-K736 HydrophobicContact CD1-CG 4.35Å; F724-K736 HydrophobicContact CD2-CB 4.47Å; F724-K736 VanDerWaalsContact CD2-N 3.27Å; F724-K736 HydrophobicContact CE1-CB 3.77Å; F724-K736 HydrophobicContact CE1-CD 4.45Å; F724-K736 HydrophobicContact CE1-CG 4.43Å; F724-K736 HydrophobicContact CE2-CB 4.4Å; F724-K736 HydrophobicContact CG-CB 4.2Å; F724-K736 HydrophobicContact CZ-CB 4.06Å; F724-L739 HydrophobicContact CB-CB 4.16Å; F724-L739 HydrophobicContact CB-CD2 3.84Å
725	N	77.1	Confident	72.5	Confident	99 Å²	99	81.7 Å²	81.7	53%	0.529	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	145.2	176	-61	0.5	0	0	0	109.5	R722 T732 L739	R722-N725 PolarHBondContact O-OD1 3.01Å; N725-T732 HydrophobicContact CB-CG2 4.45Å; N725-T732 WeakPolarHBondContact OD1-CG2 3.41Å; N725-L739 WeakPolarHBondContact O-CD2 3.38Å
726	C	80.3	Confident	72.5	Confident	13 Å²	13	85.3 Å²	85.3	9%	0.088	44%	0.438	C	S	.	.			trans	-72.5	148.1	164.3	-166.4	0	0	0	0	110.1	H728 C729 A731 F733 L739 H742	C726-H728 PolarHBondContact SG-N 2.95Å; C726-C729 CarbonylContact C-O 3.53Å; C726-C729 WeakPolarHBondContact CB-O 3.38Å; C726-C729 VanDerWaalsContact O-O 3.13Å; C726-A731 PolarHBondContact N-O 3.12Å; C726-F733 HydrophobicContact CB-CE2 4.36Å; C726-L739 HydrophobicContact CB-CD1 3.73Å; C726-H742 PolarHBondContact SG-NE2 3.46Å; C726-H742 VanDerWaalsContact SG-NE2 3.4Å
727	Q	77.1	Confident	72.6	Confident	183 Å²	183	86.8 Å²	86.8	86%	0.855	45%	0.445	S	S	*	.	S	Bend	trans	-91.4	-15.2	175.8	-70	-178.1	-38.2	0	0	111.9
728	H	74.3	Confident	72.9	Confident	121 Å²	121	87.9 Å²	87.9	56%	0.56	45%	0.446	S	S	*	.	S	Bend	trans	-106.7	-6.4	-177	-52.5	-70.1	0	0	0	113.3	C726 H747	C726-H728 PolarHBondContact SG-N 2.95Å; H728-H747 VanDerWaalsContact CB-CE1 3.45Å; H728-H747 WeakPolarHBondContact CB-CE1 3.42Å; H728-H747 WeakPolarHBondContact CB-ND1 3.44Å; H728-H747 PolarHBondContact O-CE1 3.29Å
729	C	80.2	Confident	73.5	Confident	47 Å²	47	85.7 Å²	85.7	32%	0.318	44%	0.436	S	S	.	.	S	Bend	trans	-160.5	169.6	165.1	69.6	0	0	0	0	111.4	C726 A731 H742 H747	C726-C729 CarbonylContact C-O 3.53Å; C726-C729 WeakPolarHBondContact CB-O 3.38Å; C726-C729 VanDerWaalsContact O-O 3.13Å; C729-A731 PolarHBondContact O-N 2.89Å; C729-A731 VanDerWaalsContact SG-CB 3.52Å; C729-H742 VanDerWaalsContact SG-CE1 3.54Å; C729-H742 PolarHBondContact SG-NE2 2.68Å; C729-H747 PolarHBondContact SG-NE2 3.49Å
730	N	71.8	Confident	74	Confident	167 Å²	167	89.3 Å²	89.3	89%	0.893	45%	0.446	S	S	*	.	S	Bend	trans	-73	15.4	-178.3	-66.8	-14.7	0	0	0	114.7	T732	N730-T732 PolarHBondContact O-N 3.35Å
731	A	76.3	Confident	75.1	Confident	29 Å²	29	89 Å²	89	24%	0.24	44%	0.436	C	S	.	.			trans	-73	123.7	179	0	0	0	0	0	111.4	C726 C729 F733	C726-A731 PolarHBondContact N-O 3.12Å; C729-A731 PolarHBondContact O-N 2.89Å; C729-A731 VanDerWaalsContact SG-CB 3.52Å; A731-F733 HydrophobicContact CB-CE2 3.53Å; A731-F733 HydrophobicContact CB-CZ 3.66Å; A731-F733 WeakPolarHBondContact O-CE2 3.46Å
732	T	75.9	Confident	75.9	Confident	48 Å²	48	87 Å²	87	29%	0.294	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	128.1	-176.6	55.9	0	0	0	0	111.1	R722 N725 N730	R722-T732 WeakPolarHBondContact CD-O 3.15Å; R722-T732 WeakPolarHBondContact CD-OG1 3.49Å; R722-T732 PolarHBondContact NH1-O 3.11Å; R722-T732 VanDerWaalsContact NH1-O 3.11Å; R722-T732 PolarHBondContact NH1-OG1 3.48Å; N725-T732 HydrophobicContact CB-CG2 4.45Å; N725-T732 WeakPolarHBondContact OD1-CG2 3.41Å; N730-T732 PolarHBondContact O-N 3.35Å
733	F	77.1	Confident	76.6	Confident	43 Å²	43	83.4 Å²	83.4	19%	0.189	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	138	-169.9	-61.1	-88.3	0	0	0	112.6	R722 F724 C726 A731 R735 K738 L739 H742	R722-F733 CarbonylContact C-O 3.22Å; F724-F733 HydrophobicContact CB-CB 4.34Å; F724-F733 PolarHBondContact N-O 3.1Å; F724-F733 WeakPolarHBondContact O-CB 3.2Å; F724-F733 WeakPolarHBondContact O-CD2 3.24Å; F724-F733 PolarHBondContact O-N 3.28Å; C726-F733 HydrophobicContact CB-CE2 4.36Å; A731-F733 HydrophobicContact CB-CE2 3.53Å; A731-F733 HydrophobicContact CB-CZ 3.66Å; A731-F733 WeakPolarHBondContact O-CE2 3.46Å; F733-R735 PolarHBondContact O-N 2.84Å; F733-K738 HydrophobicContact CD1-CB 4.29Å; F733-L739 HydrophobicContact CB-CB 4.24Å; F733-L739 HydrophobicContact CD2-CB 3.97Å; F733-L739 HydrophobicContact CD2-CD1 3.76Å; F733-L739 HydrophobicContact CD2-CG 4.45Å; F733-L739 HydrophobicContact CE2-CD1 3.95Å; F733-L739 HydrophobicContact CG-CB 4.19Å; F733-H742 HydrophobicContact CE1-CB 3.91Å; F733-H742 HydrophobicContact CE2-CB 4.07Å; F733-H742 AromaticContact CE2-CD2 3.32Å; F733-H742 WeakPolarHBondContact CE2-CD2 3.48Å; F733-H742 AromaticContact CE2-CG 3.73Å; F733-H742 AromaticContact CE2-NE2 3.93Å; F733-H742 HydrophobicContact CZ-CB 3.47Å; F733-H742 VanDerWaalsContact CZ-CB 3.47Å; F733-H742 AromaticContact CZ-CD2 3.36Å; F733-H742 WeakPolarHBondContact CZ-CD2 3.25Å; F733-H742 AromaticContact CZ-CG 3.25Å; F733-H742 AromaticContact CZ-ND1 3.83Å; F733-H742 AromaticContact CZ-NE2 3.95Å
734	K	69.4	Low	77	Confident	52 Å²	52	81.3 Å²	81.3	23%	0.226	39%	0.39	C	S	.	.	S	Bend	trans	-71	-8.8	171.7	-64.2	-163.9	178.5	-154.8	0	113.4	V716 I717 S719 D720 R722	V716-K734 HydrophobicContact CG1-CB 4.34Å; V716-K734 VanDerWaalsContact CG1-O 3.22Å; V716-K734 WeakPolarHBondContact CG1-O 3.45Å; V716-K734 WeakPolarHBondContact O-CD 3.44Å; I717-K734 PolarHBondContact O-NZ 3.17Å; S719-K734 WeakPolarHBondContact O-CE 3.22Å; S719-K734 PolarHBondContact O-NZ 3Å; D720-K734 IonicContact OD1-NZ 2.68Å; D720-K734 PolarHBondContact OD1-NZ 2.95Å; R722-K734 HydrophobicContact CG-CG 3.85Å
735	R	71.3	Confident	77.3	Confident	106 Å²	106	83.1 Å²	83.1	40%	0.4	40%	0.4	S	S	.	.			trans	-146.9	132.3	-178.5	-73.6	174.2	63.2	165.4	-9.3	113.6	F733 D737 K738 L739	F733-R735 PolarHBondContact O-N 2.84Å; R735-D737 VanDerWaalsContact C-N 3.25Å; R735-D737 IonicContact CZ-OD2 2.74Å; R735-D737 VanDerWaalsContact CZ-OD2 3.22Å; R735-D737 IonicContact NE-OD2 2.94Å; R735-D737 PolarHBondContact NE-OD2 3.09Å; R735-D737 IonicContact NH2-OD2 3.17Å; R735-D737 PolarHBondContact NH2-OD2 3.1Å; R735-D737 PolarHBondContact O-N 2.82Å; R735-K738 PolarHBondContact O-N 3.38Å; R735-L739 PolarHBondContact O-N 3.38Å
736	K	76.8	Confident	77.3	Confident	144 Å²	144	82.7 Å²	82.7	63%	0.626	40%	0.401	S	S	*	.	H	α-helix	trans	-52.9	-39.9	171.8	-169.9	169.2	-177	170.9	0	113.2	F724 K738 L739 K740	F724-K736 HydrophobicContact CD1-CB 3.84Å; F724-K736 HydrophobicContact CD1-CG 4.35Å; F724-K736 HydrophobicContact CD2-CB 4.47Å; F724-K736 VanDerWaalsContact CD2-N 3.27Å; F724-K736 HydrophobicContact CE1-CB 3.77Å; F724-K736 HydrophobicContact CE1-CD 4.45Å; F724-K736 HydrophobicContact CE1-CG 4.43Å; F724-K736 HydrophobicContact CE2-CB 4.4Å; F724-K736 HydrophobicContact CG-CB 4.2Å; F724-K736 HydrophobicContact CZ-CB 4.06Å; K736-K738 PolarHBondContact O-N 3.03Å; K736-L739 PolarHBondContact O-N 3.43Å; K736-K740 PolarHBondContact O-N 2.95Å
737	D	77.4	Confident	77.1	Confident	74 Å²	74	85.2 Å²	85.2	40%	0.396	41%	0.411	S	S	.	.	H	α-helix	trans	-56.7	-32.5	177.4	-28.2	-36.4	0	0	0	112.7	K713 R735 Y741	K713-D737 VanDerWaalsContact NZ-CG 3.33Å; K713-D737 IonicContact NZ-OD1 3.53Å; K713-D737 PolarHBondContact NZ-OD1 3.37Å; K713-D737 VanDerWaalsContact NZ-OD1 3.13Å; K713-D737 IonicContact NZ-OD2 2.8Å; K713-D737 PolarHBondContact NZ-OD2 3.27Å; R735-D737 VanDerWaalsContact C-N 3.25Å; R735-D737 IonicContact CZ-OD2 2.74Å; R735-D737 VanDerWaalsContact CZ-OD2 3.22Å; R735-D737 IonicContact NE-OD2 2.94Å; R735-D737 PolarHBondContact NE-OD2 3.09Å; R735-D737 IonicContact NH2-OD2 3.17Å; R735-D737 PolarHBondContact NH2-OD2 3.1Å; R735-D737 PolarHBondContact O-N 2.82Å; D737-Y741 PolarHBondContact O-N 3.31Å
738	K	77.5	Confident	76.4	Confident	119 Å²	119	83.4 Å²	83.4	52%	0.517	40%	0.402	S	S	.	.	H	α-helix	trans	-92.2	-28.1	179	-79.6	-65.4	-170.7	179.3	0	113.3	F733 R735 K736 H742	F733-K738 HydrophobicContact CD1-CB 4.29Å; R735-K738 PolarHBondContact O-N 3.38Å; K736-K738 PolarHBondContact O-N 3.03Å; K738-H742 WeakPolarHBondContact O-CB 3.23Å; K738-H742 PolarHBondContact O-N 3.35Å
739	L	81.2	Confident	75.6	Confident	22 Å²	22	84.5 Å²	84.5	12%	0.115	41%	0.411	C	S	.	.	H	α-helix	trans	-60.1	-46.2	165.4	171.2	60.3	0	0	0	110.8	F724 N725 C726 F733 R735 K736 H742 I743	F724-L739 HydrophobicContact CB-CB 4.16Å; F724-L739 HydrophobicContact CB-CD2 3.84Å; N725-L739 WeakPolarHBondContact O-CD2 3.38Å; C726-L739 HydrophobicContact CB-CD1 3.73Å; F733-L739 HydrophobicContact CB-CB 4.24Å; F733-L739 HydrophobicContact CD2-CB 3.97Å; F733-L739 HydrophobicContact CD2-CD1 3.76Å; F733-L739 HydrophobicContact CD2-CG 4.45Å; F733-L739 HydrophobicContact CE2-CD1 3.95Å; F733-L739 HydrophobicContact CG-CB 4.19Å; R735-L739 PolarHBondContact O-N 3.38Å; K736-L739 PolarHBondContact O-N 3.43Å; L739-H742 PolarHBondContact O-N 3.16Å; L739-H742 VanDerWaalsContact O-N 3.16Å; L739-I743 HydrophobicContact CD1-CD1 3.85Å; L739-I743 HydrophobicContact CD1-CG1 4.06Å; L739-I743 HydrophobicContact CG-CD1 3.96Å; L739-I743 WeakPolarHBondContact O-CG1 3.47Å; L739-I743 PolarHBondContact O-N 2.85Å
740	K	79.9	Confident	73.7	Confident	122 Å²	122	91.6 Å²	91.6	53%	0.53	44%	0.436	S	S	.	.	H	α-helix	trans	-58.9	-53.5	177.9	-159.6	-155.9	179.1	-64.1	0	110.8	K736 H742 I743 D744	K736-K740 PolarHBondContact O-N 2.95Å; K740-H742 PolarHBondContact O-N 3.08Å; K740-H742 VanDerWaalsContact O-N 3.11Å; K740-I743 PolarHBondContact O-N 2.64Å; K740-D744 WeakPolarHBondContact CG-OD2 3.49Å; K740-D744 IonicContact NZ-OD1 2.72Å; K740-D744 PolarHBondContact NZ-OD1 3.22Å; K740-D744 IonicContact NZ-OD2 3.39Å; K740-D744 PolarHBondContact NZ-OD2 3.24Å; K740-D744 WeakPolarHBondContact O-CB 3.18Å; K740-D744 PolarHBondContact O-N 2.79Å
741	Y	81.4	Confident	71.6	Confident	129 Å²	129	89.4 Å²	89.4	51%	0.506	43%	0.434	S	S	.	.	H	α-helix	trans	-54.3	-32.4	176.2	-175.8	-90	0	0	0	113.7	D737 H745	D737-Y741 PolarHBondContact O-N 3.31Å; Y741-H745 AromaticContact CD2-CD2 3.49Å; Y741-H745 VanDerWaalsContact CD2-CD2 3.49Å; Y741-H745 WeakPolarHBondContact CD2-CD2 3.45Å; Y741-H745 AromaticContact CD2-NE2 3.73Å; Y741-H745 AromaticContact CE1-CD2 3.78Å; Y741-H745 AromaticContact CE2-CD2 3.18Å; Y741-H745 WeakPolarHBondContact CE2-CD2 3.46Å; Y741-H745 AromaticContact CE2-NE2 3.25Å; Y741-H745 VanDerWaalsContact CE2-NE2 3.25Å; Y741-H745 WeakPolarHBondContact CE2-NE2 3.4Å; Y741-H745 AromaticContact CG-CD2 3.9Å; Y741-H745 AromaticContact CZ-CD2 3.32Å; Y741-H745 AromaticContact CZ-NE2 3.75Å; Y741-H745 WeakPolarHBondContact O-CB 3.4Å; Y741-H745 PolarHBondContact O-CD2 3.11Å; Y741-H745 VanDerWaalsContact O-CD2 3.31Å; Y741-H745 PolarHBondContact O-N 3.26Å
742	H	80.8	Confident	69.8	Low	22 Å²	22	93 Å²	93	10%	0.102	46%	0.455	C	S	.	.	H	α-helix	trans	-74.9	-41.2	175.1	161.1	70.4	0	0	0	112.7	C726 C729 F733 K738 L739 K740 H745 V746 H747	C726-H742 PolarHBondContact SG-NE2 3.46Å; C726-H742 VanDerWaalsContact SG-NE2 3.4Å; C729-H742 VanDerWaalsContact SG-CE1 3.54Å; C729-H742 PolarHBondContact SG-NE2 2.68Å; F733-H742 HydrophobicContact CE1-CB 3.91Å; F733-H742 HydrophobicContact CE2-CB 4.07Å; F733-H742 AromaticContact CE2-CD2 3.32Å; F733-H742 WeakPolarHBondContact CE2-CD2 3.48Å; F733-H742 AromaticContact CE2-CG 3.73Å; F733-H742 AromaticContact CE2-NE2 3.93Å; F733-H742 HydrophobicContact CZ-CB 3.47Å; F733-H742 VanDerWaalsContact CZ-CB 3.47Å; F733-H742 AromaticContact CZ-CD2 3.36Å; F733-H742 WeakPolarHBondContact CZ-CD2 3.25Å; F733-H742 AromaticContact CZ-CG 3.25Å; F733-H742 AromaticContact CZ-ND1 3.83Å; F733-H742 AromaticContact CZ-NE2 3.95Å; K738-H742 WeakPolarHBondContact O-CB 3.23Å; K738-H742 PolarHBondContact O-N 3.35Å; L739-H742 PolarHBondContact O-N 3.16Å; L739-H742 VanDerWaalsContact O-N 3.16Å; K740-H742 PolarHBondContact O-N 3.08Å; K740-H742 VanDerWaalsContact O-N 3.11Å; H742-H745 PolarHBondContact O-N 3Å; H742-V746 WeakPolarHBondContact ND1-CG2 3.15Å; H742-V746 WeakPolarHBondContact O-CA 3.47Å; H742-V746 VanDerWaalsContact O-CB 3.23Å; H742-V746 WeakPolarHBondContact O-CB 3.33Å; H742-V746 PolarHBondContact O-N 2.72Å; H742-H747 AromaticContact CE1-NE2 3.66Å; H742-H747 AromaticContact NE2-CD2 3.82Å; H742-H747 AromaticContact NE2-NE2 3.43Å; H742-H747 PolarHBondContact NE2-NE2 2.84Å
743	I	81.6	Confident	67.6	Low	57 Å²	57	98.5 Å²	98.5	29%	0.292	48%	0.483	S	S	.	.	I	π-helix	trans	-60.4	-53.1	172.3	-64.8	165.6	0	0	0	109.2	L739 K740 H745 H747	L739-I743 HydrophobicContact CD1-CD1 3.85Å; L739-I743 HydrophobicContact CD1-CG1 4.06Å; L739-I743 HydrophobicContact CG-CD1 3.96Å; L739-I743 WeakPolarHBondContact O-CG1 3.47Å; L739-I743 PolarHBondContact O-N 2.85Å; K740-I743 PolarHBondContact O-N 2.64Å; I743-H745 PolarHBondContact O-N 2.73Å; I743-H745 VanDerWaalsContact O-N 3.08Å; I743-H747 PolarHBondContact O-N 2.82Å; I743-H747 VanDerWaalsContact O-N 3.16Å
744	D	79	Confident	65.6	Low	39 Å²	39	103.9 Å²	103.9	21%	0.209	51%	0.513	C	S	.	.	I	π-helix	trans	-59.4	-17.7	-178.8	-56.5	-12.7	0	0	0	114.4	K740 E748	K740-D744 WeakPolarHBondContact CG-OD2 3.49Å; K740-D744 IonicContact NZ-OD1 2.72Å; K740-D744 PolarHBondContact NZ-OD1 3.22Å; K740-D744 IonicContact NZ-OD2 3.39Å; K740-D744 PolarHBondContact NZ-OD2 3.24Å; K740-D744 WeakPolarHBondContact O-CB 3.18Å; K740-D744 PolarHBondContact O-N 2.79Å; D744-E748 WeakPolarHBondContact O-CB 3.32Å
745	H	77.8	Confident	64.9	Low	110 Å²	110	106.4 Å²	106.4	51%	0.509	54%	0.535	S	S	.	.	I	π-helix	trans	-131.7	-10.3	-176.3	-68.3	-55.1	0	0	0	116.2	Y741 H742 I743	Y741-H745 AromaticContact CD2-CD2 3.49Å; Y741-H745 VanDerWaalsContact CD2-CD2 3.49Å; Y741-H745 WeakPolarHBondContact CD2-CD2 3.45Å; Y741-H745 AromaticContact CD2-NE2 3.73Å; Y741-H745 AromaticContact CE1-CD2 3.78Å; Y741-H745 AromaticContact CE2-CD2 3.18Å; Y741-H745 WeakPolarHBondContact CE2-CD2 3.46Å; Y741-H745 AromaticContact CE2-NE2 3.25Å; Y741-H745 VanDerWaalsContact CE2-NE2 3.25Å; Y741-H745 WeakPolarHBondContact CE2-NE2 3.4Å; Y741-H745 AromaticContact CG-CD2 3.9Å; Y741-H745 AromaticContact CZ-CD2 3.32Å; Y741-H745 AromaticContact CZ-NE2 3.75Å; Y741-H745 WeakPolarHBondContact O-CB 3.4Å; Y741-H745 PolarHBondContact O-CD2 3.11Å; Y741-H745 VanDerWaalsContact O-CD2 3.31Å; Y741-H745 PolarHBondContact O-N 3.26Å; H742-H745 PolarHBondContact O-N 3Å; I743-H745 PolarHBondContact O-N 2.73Å; I743-H745 VanDerWaalsContact O-N 3.08Å
746	V	75.5	Confident	62.8	Low	90 Å²	90	109.5 Å²	109.5	55%	0.545	56%	0.559	S	S	.	*	I	π-helix	trans	-113	-21.3	177.4	-174	0	0	0	0	111.7	H742	H742-V746 WeakPolarHBondContact ND1-CG2 3.15Å; H742-V746 WeakPolarHBondContact O-CA 3.47Å; H742-V746 VanDerWaalsContact O-CB 3.23Å; H742-V746 WeakPolarHBondContact O-CB 3.33Å; H742-V746 PolarHBondContact O-N 2.72Å
747	H	77.1	Confident	60.5	Low	65 Å²	65	106.5 Å²	106.5	30%	0.301	56%	0.556	S	S	.	*	I	π-helix	trans	-112.2	-7	177.5	-63.7	-67.5	0	0	0	113.4	H728 C729 H742 I743 I749	H728-H747 VanDerWaalsContact CB-CE1 3.45Å; H728-H747 WeakPolarHBondContact CB-CE1 3.42Å; H728-H747 WeakPolarHBondContact CB-ND1 3.44Å; H728-H747 PolarHBondContact O-CE1 3.29Å; C729-H747 PolarHBondContact SG-NE2 3.49Å; H742-H747 AromaticContact CE1-NE2 3.66Å; H742-H747 AromaticContact NE2-CD2 3.82Å; H742-H747 AromaticContact NE2-NE2 3.43Å; H742-H747 PolarHBondContact NE2-NE2 2.84Å; I743-H747 PolarHBondContact O-N 2.82Å; I743-H747 VanDerWaalsContact O-N 3.16Å; H747-I749 PolarHBondContact O-N 3.45Å
748	E	61.3	Low	58.2	Low	145 Å²	145	108.9 Å²	108.9	68%	0.678	57%	0.573	S	S	*	*			trans	-81.4	40.2	177.8	-157.6	165.7	-91.9	0	0	113.3	D744	D744-E748 WeakPolarHBondContact O-CB 3.32Å
749	I	58.2	Low	56	Low	144 Å²	144	107.3 Å²	107.3	74%	0.738	58%	0.577	S	S	*	*			trans	-137.9	71.5	175.1	-46.2	179.8	0	0	0	111.4	H747	H747-I749 PolarHBondContact O-N 3.45Å
750	K	41.1	Very low	53.8	Low	197 Å²	197	114.4 Å²	114.4	86%	0.857	61%	0.61	S	S	*	*			trans	169.8	113.5	133.8	-98.5	-176.1	177.3	-168.1	0	112.4
751	S	27.1	Very low	51.6	Low	121 Å²	121	115.1 Å²	115.1	85%	0.846	62%	0.615	S	S	*	*			trans	-163.8	83.9	139.2	60	0	0	0	0	111.2
752	P	38.8	Very low	49.3	Very low	104 Å²	104	115.9 Å²	115.9	68%	0.675	62%	0.621	S	S	*	*			trans	-105	123.7	135.5	32.4	-28.5	0	0	0	108.9
753	D	28.9	Very low	46.6	Very low	164 Å²	164	121.6 Å²	121.6	88%	0.877	65%	0.651	S	S	*	*			trans	162.6	83	135	-77.6	-8.9	0	0	0	109.7
754	D	34.8	Very low	44	Very low	156 Å²	156	124.9 Å²	124.9	83%	0.834	67%	0.674	S	S	*	*			trans	-71.1	-175.1	157.1	-110.4	-37.5	0	0	0	110.1
755	P	54.6	Low	41.5	Very low	105 Å²	105	128.3 Å²	128.3	68%	0.682	70%	0.701	S	S	*	*			cis	-136.1	-177.7	-29.2	36.5	-19.8	0	0	0	112.7
756	L	28	Very low	38.9	Very low	171 Å²	171	130.7 Å²	130.7	90%	0.895	72%	0.717	S	S	*	*			trans	-155.5	134.6	140.3	-101.6	164.1	0	0	0	106.4
757	S	27.9	Very low	37.4	Very low	81 Å²	81	131.9 Å²	131.9	57%	0.566	73%	0.726	S	S	*	*			cis	-155.3	151.7	12.9	179.1	0	0	0	0	111.9
758	T	29.1	Very low	34.8	Very low	124 Å²	124	135.1 Å²	135.1	76%	0.761	75%	0.75	S	S	*	*			trans	60.7	138.9	154.1	41.7	0	0	0	0	119.5
759	S	32.6	Very low	33	Very low	85 Å²	85	136 Å²	136	59%	0.594	75%	0.754	S	S	*	*			cis	-170.7	138.9	-3.9	43	0	0	0	0	112.6
760	E	33.5	Very low	31.3	Very low	172 Å²	172	139.7 Å²	139.7	80%	0.804	76%	0.76	S	S	*	*			trans	68.4	142.6	140.6	-63	164.2	-141.7	0	0	119.8
761	E	35.1	Very low	30.4	Very low	137 Å²	137	134.7 Å²	134.7	64%	0.64	75%	0.75	S	S	*	*			cis	-154.7	156.2	0	-129	-160.4	171.9	0	0	116.1
762	K	32	Very low	30.3	Very low	145 Å²	145	133.7 Å²	133.7	63%	0.63	74%	0.743	S	S	*	*			trans	67.3	114.1	149.4	-79.4	-174.2	176.6	80.9	0	124.9
763	L	25.5	Very low	29.7	Very low	141 Å²	141	136 Å²	136	74%	0.738	75%	0.75	S	S	*	*			trans	81.6	111.8	132.7	-57.9	171.3	0	0	0	120.8
764	V	26.7	Very low	29.5	Very low	126 Å²	126	133.7 Å²	133.7	76%	0.764	74%	0.738	S	S	*	*				68.4	122.9	69.3	172	0	0	0	0	112.8
765	S	26.6	Very low	29.1	Very low	112 Å²	112	134.6 Å²	134.6	78%	0.783	73%	0.734	S	S	*	*			cis	-162.2	177.3	-0.1	-112.2	0	0	0	0	114.4
766	L	23.8	Very low	27.6	Very low	160 Å²	160	137.1 Å²	137.1	84%	0.838	74%	0.74	S	S	*	*			trans	-65.5	-175	173.8	-54.6	167.8	0	0	0	113.7
767	P	42.7	Very low	27.3	Very low	114 Å²	114	137 Å²	137	74%	0.74	73%	0.732	S	S	*	*			cis	-140.8	-162.8	2.8	28.7	-1.6	0	0	0	116.4
768	V	22.8	Very low	27.2	Very low	134 Å²	134	140.5 Å²	140.5	81%	0.812	74%	0.74	S	S	*	*			trans	120	139.1	145	-178.3	0	0	0	0	117.6
769	E	22.6	Very low	26.8	Very low	164 Å²	164	139.7 Å²	139.7	77%	0.766	74%	0.735	S	S	*	*			trans	-90	144.6	175.2	-46.7	166.5	125.9	0	0	111.5
770	Y	22.6	Very low	26.5	Very low	221 Å²	221	142.2 Å²	142.2	87%	0.867	74%	0.737	S	S	*	*				-174	-170.7	117.3	-126.2	-107.1	0	0	0	112.9
771	S	23.8	Very low	26.2	Very low	91 Å²	91	139.4 Å²	139.4	64%	0.636	73%	0.732	S	S	*	*			trans	-102.3	177.9	-158.3	-60.6	0	0	0	0	115.8
772	S	24.4	Very low	25.9	Very low	100 Å²	100	140.2 Å²	140.2	70%	0.699	73%	0.734	S	S	*	*			trans	83	112.2	147.6	30.6	0	0	0	0	121.4
773	D	25.1	Very low	25.6	Very low	154 Å²	154	142 Å²	142	82%	0.824	75%	0.745	S	S	*	*				88.1	156.6	124.3	-71.3	-53.2	0	0	0	124.9
774	D	24.8	Very low	25.5	Very low	115 Å²	115	144.9 Å²	144.9	62%	0.615	75%	0.747	S	S	*	*			trans	63.1	101.2	167.8	-82.9	-40.2	0	0	0	123.7
775	K	26.3	Very low	25.4	Very low	174 Å²	174	144.6 Å²	144.6	76%	0.757	74%	0.739	S	S	*	*				25	128.4	115.9	-50.3	-177.4	-157.4	95.1	0	119
776	I	23.8	Very low	25.3	Very low	158 Å²	158	144.8 Å²	144.8	81%	0.81	73%	0.731	S	S	*	*				164.5	109.3	116.8	-87.3	157.3	0	0	0	107.6
777	F	22.1	Very low	25.4	Very low	168 Å²	168	145.2 Å²	145.2	74%	0.737	73%	0.729	S	S	*	*				75.4	138.9	84.2	-133.2	-117.7	0	0	0	114.5
778	Q	24.9	Very low	25.7	Very low	155 Å²	155	144.8 Å²	144.8	72%	0.724	73%	0.726	S	S	*	*			trans	68.7	145.7	160.5	-85.2	171.2	-5.3	0	0	118.8
779	T	21.9	Very low	25.7	Very low	108 Å²	108	148 Å²	148	66%	0.663	73%	0.729	S	S	*	*			cis	-158.1	174.1	-21.1	-3.6	0	0	0	0	112
780	E	26.1	Very low	25.7	Very low	137 Å²	137	146 Å²	146	64%	0.64	73%	0.727	S	S	*	*			trans	2.5	146.8	145.9	-67.5	-179.2	-134.3	0	0	119.3	K782	E780-K782 IonicContact OE2-NZ 2.75Å; E780-K782 PolarHBondContact OE2-NZ 3.03Å
781	T	26.3	Very low	25.7	Very low	113 Å²	113	144.5 Å²	144.5	69%	0.693	72%	0.722	S	S	*	*				-167.3	136	65.7	-58.7	0	0	0	0	116.1
782	K	29	Very low	25.7	Very low	155 Å²	155	146.8 Å²	146.8	67%	0.674	72%	0.722	S	S	*	*			trans	3.3	134.2	149.4	-45.4	158.8	-173.9	99.3	0	120.2	E780	E780-K782 IonicContact OE2-NZ 2.75Å; E780-K782 PolarHBondContact OE2-NZ 3.03Å
783	Q	25.1	Very low	25.8	Very low	183 Å²	183	145.5 Å²	145.5	86%	0.855	71%	0.713	S	S	*	*				-175.2	143.7	109.4	-93	170.9	10.7	0	0	109.3
784	Y	25.1	Very low	25.7	Very low	200 Å²	200	146.1 Å²	146.1	78%	0.784	71%	0.711	S	S	*	*			cis	79.6	121	47.6	-148	-96.2	0	0	0	111.2
785	M	24.6	Very low	25.8	Very low	121 Å²	121	144.8 Å²	144.8	60%	0.596	72%	0.716	S	S	*	*			cis	-162.3	173.8	9.6	-125.7	-55.6	-171	0	0	114.7
786	D	24.4	Very low	25.9	Very low	116 Å²	116	145.2 Å²	145.2	62%	0.62	72%	0.718	S	S	*	*			trans	46.7	110.5	150.1	-87.4	-25.5	0	0	0	123.8
787	Q	24.2	Very low	25.9	Very low	169 Å²	169	143.4 Å²	143.4	79%	0.79	71%	0.714	S	S	*	*				30.6	167.8	104.7	-56.1	-163.6	2.1	0	0	122.4
788	P	49.6	Very low	26.1	Very low	104 Å²	104	143 Å²	143	68%	0.675	72%	0.717	S	S	*	*				-141.3	-172.8	-55	43.2	-26.1	0	0	0	112.7
789	K	23.6	Very low	26.1	Very low	202 Å²	202	142.6 Å²	142.6	88%	0.878	72%	0.719	S	S	*	*			trans	164.8	165	152.1	-96.6	169	176.6	-172.3	0	111.4
790	V	21.9	Very low	26.3	Very low	121 Å²	121	144.4 Å²	144.4	73%	0.733	72%	0.72	S	S	*	*			cis	-178.6	155.9	-36.9	127.1	0	0	0	0	109.6
791	Y	22	Very low	26.2	Very low	191 Å²	191	144 Å²	144	75%	0.749	72%	0.722	S	S	*	*			trans	72.9	130.9	170.1	-100.3	-141.1	0	0	0	116.8
792	Q	25	Very low	26.1	Very low	138 Å²	138	144.1 Å²	144.1	65%	0.645	72%	0.722	S	S	*	*				86.6	149.8	64.7	-81.4	-157.3	-8	0	0	114
793	S	25.4	Very low	25.8	Very low	73 Å²	73	142.4 Å²	142.4	51%	0.51	73%	0.73	S	S	.	*			cis	-168.6	173	-19.5	53.2	0	0	0	0	110.4
794	E	24.7	Very low	26.1	Very low	167 Å²	167	137.9 Å²	137.9	78%	0.78	72%	0.724	S	S	*	*			trans	68	125.8	158	-75.1	150.4	-94	0	0	118.9
795	A	25.2	Very low	26.1	Very low	88 Å²	88	137.8 Å²	137.8	73%	0.727	73%	0.73	S	S	*	*				92.6	152.9	70.1	0	0	0	0	0	112.3
796	K	29.5	Very low	26.2	Very low	183 Å²	183	138.1 Å²	138.1	80%	0.796	74%	0.739	S	S	*	*			cis	-168.4	165.1	18.6	-141.5	170.6	-168.9	167.7	0	110.4
797	T	24.1	Very low	26.2	Very low	119 Å²	119	137.8 Å²	137.8	73%	0.73	74%	0.744	S	S	*	*			trans	62.1	156.8	153.9	53.9	0	0	0	0	120.3
798	M	26.2	Very low	26.4	Very low	161 Å²	161	136.1 Å²	136.1	79%	0.793	75%	0.745	S	S	*	*			cis	-166.6	155.5	-15.7	-106.2	-72.3	-177.1	0	0	110
799	L	25	Very low	26.7	Very low	145 Å²	145	136 Å²	136	76%	0.759	75%	0.745	S	S	*	*			trans	147.8	88.8	138.1	-79.3	169.8	0	0	0	116.2
800	Q	25.9	Very low	26.7	Very low	147 Å²	147	133.1 Å²	133.1	69%	0.687	74%	0.744	S	S	*	*				66.6	117.6	106	-160.1	159.7	13.9	0	0	123.3
801	N	24.6	Very low	27	Very low	127 Å²	127	132.6 Å²	132.6	68%	0.679	74%	0.741	S	S	*	*			trans	92.6	115.9	135.6	-83.3	9.9	0	0	0	125.5
802	V	23.2	Very low	27.4	Very low	116 Å²	116	131.1 Å²	131.1	70%	0.703	75%	0.745	S	S	*	*				105.4	135.2	111.9	162.9	0	0	0	0	122.4
803	S	23.5	Very low	27.6	Very low	119 Å²	119	130.4 Å²	130.4	83%	0.832	75%	0.75	S	S	*	*			trans	78.7	155.7	158.6	-81.6	0	0	0	0	121.3
804	A	30.1	Very low	28.3	Very low	88 Å²	88	131.7 Å²	131.7	73%	0.727	76%	0.757	S	S	*	*			trans	-133.4	159.3	-178.6	0	0	0	0	0	109.9
805	E	25	Very low	28.3	Very low	198 Å²	198	130.4 Å²	130.4	93%	0.925	76%	0.76	S	S	*	*			trans	-135.1	168.5	164	-77.9	-151.9	143.4	0	0	111.5
806	V	27.8	Very low	28.4	Very low	128 Å²	128	134.3 Å²	134.3	78%	0.776	76%	0.763	S	S	*	*			trans	-154.8	157.6	-148.2	150.3	0	0	0	0	110.8
807	C	24.4	Very low	28.5	Very low	109 Å²	109	133.1 Å²	133.1	74%	0.736	76%	0.762	S	S	*	*			trans	94.4	91.9	158.3	-84.5	0	0	0	0	123.9
808	V	28.3	Very low	29.2	Very low	134 Å²	134	132.9 Å²	132.9	81%	0.812	76%	0.763	S	S	*	*				61.7	-164.8	122.1	-131.1	0	0	0	0	120.6
809	P	54.9	Low	29.1	Very low	102 Å²	102	131.8 Å²	131.8	66%	0.662	76%	0.76	S	S	*	*				-132.2	-170.8	-125	47.7	-28.5	0	0	0	117.3
810	V	23.8	Very low	29.4	Very low	142 Å²	142	130.6 Å²	130.6	86%	0.861	76%	0.759	S	S	*	*			trans	-137.9	154.8	155.4	-175.7	0	0	0	0	110.2
811	T	27.6	Very low	29.7	Very low	109 Å²	109	129.6 Å²	129.6	67%	0.669	77%	0.765	S	S	*	*			trans	-145.2	174.2	-175.3	48.7	0	0	0	0	112.2
812	L	30.4	Very low	29.7	Very low	160 Å²	160	128.3 Å²	128.3	84%	0.838	77%	0.766	S	S	*	*			trans	78.8	151.7	164.4	-55.3	-169.4	0	0	0	116.1
813	V	28.9	Very low	29.7	Very low	124 Å²	124	129.5 Å²	129.5	75%	0.752	77%	0.769	S	S	*	*			cis	178.7	177.8	-18.6	103.4	0	0	0	0	107.6
814	P	41.6	Very low	29.8	Very low	99 Å²	99	130.7 Å²	130.7	64%	0.643	77%	0.765	S	S	*	*			cis	-124.1	-156.5	-43.9	43.2	-24.9	0	0	0	111.7
815	V	23.8	Very low	29.6	Very low	140 Å²	140	131.7 Å²	131.7	85%	0.848	76%	0.762	S	S	*	*				-166.2	157.7	128.6	144.2	0	0	0	0	108.5
816	Q	27.2	Very low	29.6	Very low	170 Å²	170	134 Å²	134	79%	0.794	76%	0.762	S	S	*	*			trans	-115.5	154.2	-170.4	-73.8	168.5	-94.8	0	0	115.6
817	M	32.1	Very low	29.5	Very low	159 Å²	159	135.4 Å²	135.4	78%	0.783	76%	0.76	S	S	*	*			trans	0.4	144	141.9	-53.2	-57.7	-66.3	0	0	118.3
818	P	39	Very low	29.4	Very low	113 Å²	113	136.6 Å²	136.6	73%	0.734	76%	0.764	S	S	*	*				-139.5	175.3	83.1	43.9	-31	0	0	0	113
819	D	23.7	Very low	29.2	Very low	138 Å²	138	135.2 Å²	135.2	74%	0.738	76%	0.756	S	S	*	*			cis	-155.9	-175.7	-1.7	-136.2	-37.3	0	0	0	112.8
820	T	30.9	Very low	27.9	Very low	120 Å²	120	137.4 Å²	137.4	74%	0.736	77%	0.767	S	S	*	*			trans	-134.9	159.2	155.7	57.5	0	0	0	0	110.7
821	P	33.3	Very low	28.1	Very low	126 Å²	126	137.7 Å²	137.7	82%	0.818	76%	0.763	S	S	*	*				-148.8	176.5	117.6	38.6	-23.3	0	0	0	115.9
822	S	25	Very low	29	Very low	100 Å²	100	137.7 Å²	137.7	70%	0.699	77%	0.765	S	S	*	*			trans	-55.3	177.9	164.9	-40.6	0	0	0	0	112.9
823	D	22.3	Very low	29.5	Very low	142 Å²	142	135.9 Å²	135.9	76%	0.759	76%	0.763	S	S	*	*			cis	-168.9	-173.5	38.2	-139.7	-29.6	0	0	0	115.8
824	L	25.1	Very low	29.6	Very low	144 Å²	144	134.9 Å²	134.9	75%	0.754	76%	0.761	S	S	*	*			trans	-28.8	133.8	174.9	-103.1	58.9	0	0	0	119.5
825	V	26.4	Very low	28.9	Very low	108 Å²	108	135.9 Å²	135.9	66%	0.655	77%	0.771	S	S	*	*				47.4	119	126.7	179.9	0	0	0	0	119.2
826	R	24.4	Very low	29.1	Very low	248 Å²	248	137 Å²	137	94%	0.936	77%	0.766	S	S	*	*			trans	-146	130.1	133.2	-133.3	174.2	-172.2	178.6	2.2	113.2
827	H	26.6	Very low	29	Very low	156 Å²	156	136 Å²	136	72%	0.722	76%	0.762	S	S	*	*			trans	-85.3	147.3	169.8	-59.5	-106.4	0	0	0	110.5
828	T	23.1	Very low	28.8	Very low	135 Å²	135	135.2 Å²	135.2	83%	0.828	76%	0.759	S	S	*	*				-169.7	111.5	126	29.6	0	0	0	0	108
829	T	23.9	Very low	28.1	Very low	104 Å²	104	138 Å²	138	64%	0.638	77%	0.767	S	S	*	*				91.8	104.1	74.2	-61.8	0	0	0	0	112.9	L831	T829-L831 HydrophobicContact CG2-CD1 4.43Å; T829-L831 HydrophobicContact CG2-CG 4.23Å
830	T	26.3	Very low	28.2	Very low	148 Å²	148	136.4 Å²	136.4	91%	0.908	77%	0.767	S	S	*	*			trans	-143.2	145.7	139.5	-36.4	0	0	0	0	107.2
831	L	27.5	Very low	27.9	Very low	149 Å²	149	136.4 Å²	136.4	78%	0.78	77%	0.772	S	S	*	*			trans	-108.4	162.5	-153.1	-78.9	165.7	0	0	0	115.3	T829	T829-L831 HydrophobicContact CG2-CD1 4.43Å; T829-L831 HydrophobicContact CG2-CG 4.23Å
832	P	46.6	Very low	27.6	Very low	108 Å²	108	139 Å²	139	70%	0.701	77%	0.773	S	S	*	*			trans	-88	-160.6	178.7	38.1	-34.9	0	0	0	112.3
833	P	41.1	Very low	28.1	Very low	122 Å²	122	139.4 Å²	139.4	79%	0.792	77%	0.773	S	S	*	*				-146.4	169.6	83.7	38.7	-19.8	0	0	0	118.1
834	S	31.4	Very low	28.2	Very low	103 Å²	103	141 Å²	141	72%	0.72	78%	0.776	S	S	*	*			trans	-53.2	166.9	175.3	54.6	0	0	0	0	119.8
835	S	27.5	Very low	28.1	Very low	120 Å²	120	139 Å²	139	84%	0.839	77%	0.774	S	S	*	*				-169	-173.8	115.7	36.8	0	0	0	0	112.2
836	H	28.5	Very low	28	Very low	163 Å²	163	139.5 Å²	139.5	76%	0.755	78%	0.777	S	S	*	*			trans	-134.8	166	-147.8	-116	-133.1	0	0	0	115.1
837	E	25.1	Very low	28	Very low	149 Å²	149	134.9 Å²	134.9	70%	0.696	77%	0.771	S	S	*	*			trans	79.1	117.5	146.8	-77.9	162.8	-139.3	0	0	125.3
838	I	27.6	Very low	27.9	Very low	143 Å²	143	137.9 Å²	137.9	73%	0.733	78%	0.778	S	S	*	*				36.6	118.3	119.1	-48.3	171.7	0	0	0	119.4
839	L	23.8	Very low	28.8	Very low	172 Å²	172	136.2 Å²	136.2	90%	0.901	77%	0.769	S	S	*	*				-169.6	-163	105.8	-129.7	118.8	0	0	0	113.1
840	S	25.3	Very low	28.9	Very low	104 Å²	104	141.9 Å²	141.9	73%	0.727	78%	0.779	S	S	*	*			trans	-140.5	-179.3	-160.3	-170.8	0	0	0	0	113.6
841	S	25.1	Very low	28.9	Very low	120 Å²	120	138.8 Å²	138.8	84%	0.839	77%	0.769	S	S	*	*			trans	106	165.5	161.5	81.5	0	0	0	0	120.2
842	Q	27.6	Very low	28.9	Very low	181 Å²	181	135.5 Å²	135.5	85%	0.846	76%	0.763	S	S	*	*			trans	-92.9	176.9	-168.2	-107.8	176.4	-13.9	0	0	111.2
843	P	34.3	Very low	28.2	Very low	108 Å²	108	136.8 Å²	136.8	70%	0.701	76%	0.764	S	S	*	*			cis	-153.8	177.8	41.7	43.7	-21.2	0	0	0	120.1
844	Q	25.9	Very low	27.8	Very low	177 Å²	177	138.4 Å²	138.4	83%	0.827	77%	0.765	S	S	*	*			trans	29.1	143.7	144.1	-65.1	-178.6	-9.6	0	0	124.7
845	S	23	Very low	28	Very low	102 Å²	102	136.6 Å²	136.6	71%	0.713	76%	0.756	S	S	*	*			trans	106.2	127.7	132.4	73.5	0	0	0	0	121.9
846	T	24.5	Very low	28.1	Very low	117 Å²	117	139.7 Å²	139.7	72%	0.718	76%	0.755	S	S	*	*			trans	62.3	132.4	140.3	43.9	0	0	0	0	124.5
847	D	23.5	Very low	28.5	Very low	151 Å²	151	138.4 Å²	138.4	81%	0.807	75%	0.753	S	S	*	*			trans	83.6	120.1	136.7	-60	-10.4	0	0	0	124.2
848	Y	24.2	Very low	28.9	Very low	219 Å²	219	137.9 Å²	137.9	86%	0.859	75%	0.75	S	S	*	*			trans	-57.4	168.4	148.3	-104	-108.4	0	0	0	111
849	P	41.1	Very low	29	Very low	101 Å²	101	139.8 Å²	139.8	66%	0.656	75%	0.753	S	S	*	*			cis	-146.5	-178.1	22.6	41.9	-21.6	0	0	0	117.9
850	R	27.7	Very low	29.8	Very low	222 Å²	222	142 Å²	142	84%	0.838	75%	0.751	S	S	*	*			trans	58.2	109.9	138.5	-87.6	-165.7	167.5	93.3	0.2	122
851	A	25.7	Very low	30.1	Very low	84 Å²	84	142.6 Å²	142.6	69%	0.694	75%	0.751	S	S	*	*				84.2	143.1	98.3	0	0	0	0	0	122.5
852	A	28.4	Very low	30.5	Very low	80 Å²	80	143.9 Å²	143.9	66%	0.661	75%	0.747	S	S	*	*			trans	77.5	137.3	132.9	0	0	0	0	0	118.9
853	D	29.9	Very low	30.6	Very low	134 Å²	134	140.6 Å²	140.6	72%	0.717	74%	0.74	S	S	*	*			cis	-173	167.2	-10.8	-121.9	-32.5	0	0	0	111.6
854	L	34	Very low	31.4	Very low	156 Å²	156	140.6 Å²	140.6	82%	0.817	74%	0.74	S	S	*	*			trans	62.8	153.7	144.8	-69.3	167.5	0	0	0	119.7
855	A	36.3	Very low	31.8	Very low	65 Å²	65	140.3 Å²	140.3	54%	0.537	74%	0.739	S	S	.	*			cis	-153.6	160	-7.2	0	0	0	0	0	111.1
856	F	29.5	Very low	33	Very low	186 Å²	186	140.9 Å²	140.9	82%	0.816	74%	0.74	S	S	*	*				177.4	116.9	116	-108.2	-101.4	0	0	0	106.4
857	L	35.9	Very low	33.2	Very low	135 Å²	135	139 Å²	139	71%	0.707	74%	0.737	S	S	*	*				59.5	135.6	92.8	-99.5	76.7	0	0	0	113.9
858	E	34.4	Very low	33.4	Very low	138 Å²	138	140.1 Å²	140.1	65%	0.645	74%	0.742	S	S	*	*			cis	-164.3	144.2	15.2	-172.8	-159.7	-137	0	0	111.6
859	K	29.2	Very low	33.7	Very low	183 Å²	183	137.5 Å²	137.5	80%	0.796	74%	0.741	S	S	*	*				166	154.8	127.9	-88	165.6	-171.9	177.8	0	115.9
860	Y	39.3	Very low	33	Very low	218 Å²	218	139.2 Å²	139.2	86%	0.855	75%	0.75	S	S	*	*			trans	-91.1	176.6	-171.6	-87.3	-114.6	0	0	0	112.8
861	T	33.5	Very low	33	Very low	117 Å²	117	137.1 Å²	137.1	72%	0.718	75%	0.749	S	S	*	*			cis	-157.9	136.6	37.5	48.5	0	0	0	0	116.8
862	L	32	Very low	34.1	Very low	147 Å²	147	138.4 Å²	138.4	77%	0.77	75%	0.75	S	S	*	*			trans	62.4	157.8	150.8	-53.1	173.3	0	0	0	119.4
863	T	30.5	Very low	33.9	Very low	113 Å²	113	141 Å²	141	69%	0.693	76%	0.758	S	S	*	*			cis	81.8	157.9	8.5	75.4	0	0	0	0	118
864	P	51.2	Low	33.8	Very low	107 Å²	107	145.9 Å²	145.9	70%	0.695	77%	0.766	S	S	*	*			cis	-134.5	146	6.4	43.8	-26.1	0	0	0	117.6
865	Q	33	Very low	34.1	Very low	172 Å²	172	144 Å²	144	80%	0.804	76%	0.763	S	S	*	*				76.6	169.8	101.7	-65.6	-155.1	27.6	0	0	118.7
866	P	49.4	Very low	33.7	Very low	114 Å²	114	148.3 Å²	148.3	74%	0.74	77%	0.772	S	S	*	*			cis	-120.8	179.8	-11.7	38.9	-23.2	0	0	0	113.4
867	A	28.6	Very low	33.6	Very low	78 Å²	78	146 Å²	146	65%	0.645	76%	0.764	S	S	*	*			cis	96.3	103.8	-1.3	0	0	0	0	0	120.5
868	N	28.4	Very low	33	Very low	174 Å²	174	146.8 Å²	146.8	93%	0.93	77%	0.766	S	S	*	*			trans	-171.5	161.9	149.4	-110.4	-31.2	0	0	0	116.2
869	I	29.8	Very low	32.6	Very low	163 Å²	163	147.4 Å²	147.4	84%	0.836	77%	0.773	S	S	*	*			trans	-141.8	130.5	-176.5	-59.8	170.1	0	0	0	111.7
870	V	25.6	Very low	32.8	Very low	138 Å²	138	145.7 Å²	145.7	84%	0.836	77%	0.772	S	S	*	*			trans	-149.8	142.8	161.9	-176	0	0	0	0	112.1
871	H	29.1	Very low	33	Very low	178 Å²	178	140.3 Å²	140.3	82%	0.824	76%	0.764	S	S	*	*			trans	-131.6	164.9	160.5	-102.9	-41.2	0	0	0	107.2
872	P	47.8	Very low	32.7	Very low	110 Å²	110	144.6 Å²	144.6	71%	0.714	77%	0.767	S	S	*	*			cis	-129	-167.8	1.8	42.3	-26.2	0	0	0	113
873	V	24.1	Very low	32.7	Very low	136 Å²	136	143.3 Å²	143.3	82%	0.824	76%	0.757	S	S	*	*			trans	165.6	150.9	138.3	153.8	0	0	0	0	110.8
874	R	29.3	Very low	32.8	Very low	236 Å²	236	145.2 Å²	145.2	89%	0.891	76%	0.758	S	S	*	*			trans	-124.7	151.6	169.4	-94.8	-176.1	178.3	-179.6	-0.4	106.7
875	P	38.5	Very low	31.9	Very low	115 Å²	115	144.9 Å²	144.9	75%	0.747	76%	0.759	S	S	*	*				-153.8	176.7	59.2	42.2	-21.1	0	0	0	118.7
876	E	28	Very low	31.6	Very low	157 Å²	157	146.4 Å²	146.4	73%	0.734	76%	0.758	S	S	*	*			trans	44.8	130.1	143.7	-68.3	-141.5	111.3	0	0	126
877	Q	28.2	Very low	30.6	Very low	138 Å²	138	148.2 Å²	148.2	65%	0.645	76%	0.761	S	S	*	*				77.5	128.1	129.6	-72.5	-171.4	27.9	0	0	124.4
878	M	23.8	Very low	30.5	Very low	151 Å²	151	147.2 Å²	147.2	74%	0.744	76%	0.758	S	S	*	*			trans	89.5	148	132.6	-81.9	-175.3	71.3	0	0	123
879	L	25.7	Very low	30.6	Very low	151 Å²	151	145 Å²	145	79%	0.791	75%	0.751	S	S	*	*			trans	79.8	92.8	160.6	-67.6	159.7	0	0	0	120.7
880	D	33.5	Very low	30.6	Very low	146 Å²	146	145.4 Å²	145.4	78%	0.781	75%	0.754	S	S	*	*				-53.4	166.6	124	-110.3	-41.4	0	0	0	111.1
881	P	43.2	Very low	31.1	Very low	106 Å²	106	146.1 Å²	146.1	69%	0.688	75%	0.753	S	S	*	*			cis	-135.7	171.9	4.6	41	-24.9	0	0	0	116
882	R	26.1	Very low	31.1	Very low	207 Å²	207	141.6 Å²	141.6	78%	0.781	75%	0.754	S	S	*	*				-179.8	122.9	123.1	-101.1	-176	125.9	131.8	7.1	115.9
883	E	32.5	Very low	30.3	Very low	120 Å²	120	143.6 Å²	143.6	56%	0.561	76%	0.758	S	S	*	*				60.2	114.6	129.8	-68.1	-167.9	105.1	0	0	124.1
884	Q	32.5	Very low	30.5	Very low	152 Å²	152	144.4 Å²	144.4	71%	0.71	76%	0.757	S	S	*	*				91.8	109.5	124.4	-69.6	-176.8	30.6	0	0	122.8
885	S	32.7	Very low	30.6	Very low	101 Å²	101	139.2 Å²	139.2	71%	0.706	76%	0.757	S	S	*	*			trans	70.3	151.5	136.4	77.9	0	0	0	0	119.1
886	Y	26.4	Very low	30.3	Very low	203 Å²	203	139.9 Å²	139.9	80%	0.796	76%	0.759	S	S	*	*			cis	-153	161.5	33.1	-140.4	-87.8	0	0	0	112.3
887	L	29.2	Very low	30.4	Very low	153 Å²	153	139 Å²	139	80%	0.801	77%	0.765	S	S	*	*			trans	63	136.5	178.9	-62	109.2	0	0	0	118.4
888	G	26.8	Very low	30.6	Very low	57 Å²	57	135.9 Å²	135.9	59%	0.588	77%	0.77	S	S	*	*			cis	63.3	102.9	-9.2	0	0	0	0	0	115.9
889	T	29.5	Very low	30.8	Very low	127 Å²	127	135.6 Å²	135.6	78%	0.779	78%	0.776	S	S	*	*			cis	-167.3	127.8	34.4	-71.8	0	0	0	0	109.3
890	L	30.5	Very low	31.1	Very low	171 Å²	171	136.6 Å²	136.6	90%	0.895	78%	0.777	S	S	*	*	S	Bend	trans	-148.4	19.3	168.6	-119.5	171.4	0	0	0	113.9
891	L	36.4	Very low	30.8	Very low	154 Å²	154	136.1 Å²	136.1	81%	0.806	77%	0.774	S	S	*	*			trans	-121.8	89.7	167.9	-70	176.2	0	0	0	108	L893	L891-L893 PolarHBondContact O-N 2.75Å; L891-L893 VanDerWaalsContact O-N 3.17Å
892	G	28.8	Very low	30.3	Very low	82 Å²	82	137.5 Å²	137.5	85%	0.845	78%	0.775	S	S	*	*			trans	-69.4	106.2	168.8	0	0	0	0	0	109.6
893	L	31.3	Very low	30.3	Very low	152 Å²	152	133.1 Å²	133.1	80%	0.796	78%	0.776	S	S	*	*			trans	-123.9	158.7	168.2	-71.8	178.4	0	0	0	109.2	L891	L891-L893 PolarHBondContact O-N 2.75Å; L891-L893 VanDerWaalsContact O-N 3.17Å
894	D	28.5	Very low	30.2	Very low	153 Å²	153	133 Å²	133	82%	0.818	78%	0.783	S	S	*	*			trans	-65.4	154.8	-172.1	-43.1	-90.7	0	0	0	113.5
895	S	31.4	Very low	30	Very low	127 Å²	127	131.1 Å²	131.1	89%	0.888	78%	0.778	S	S	*	*			trans	-155.8	149.4	147.7	-67.3	0	0	0	0	110.8
896	T	30.9	Very low	30	Very low	129 Å²	129	133.4 Å²	133.4	79%	0.791	78%	0.778	S	S	*	*			trans	-85.9	146.6	178.7	46.3	0	0	0	0	112.9
897	T	31.5	Very low	30.1	Very low	139 Å²	139	131 Å²	131	85%	0.853	77%	0.773	S	S	*	*			trans	10.7	131	149.3	55.5	0	0	0	0	119.7
898	G	31.6	Very low	30.2	Very low	72 Å²	72	135.7 Å²	135.7	74%	0.742	79%	0.79	S	S	*	*			trans	161.9	72.8	149.9	0	0	0	0	0	119.3
899	V	28.6	Very low	30.4	Very low	145 Å²	145	139.6 Å²	139.6	88%	0.879	80%	0.8	S	S	*	*			trans	59.2	125.1	149.3	-175.1	0	0	0	0	119
900	Q	30.7	Very low	30.4	Very low	172 Å²	172	140.3 Å²	140.3	80%	0.804	80%	0.802	S	S	*	*			trans	-94.9	160.5	161.7	-62.2	171	-50.3	0	0	110.1
901	N	27.4	Very low	30.4	Very low	136 Å²	136	138.6 Å²	138.6	73%	0.727	80%	0.796	S	S	*	*			trans	-146.5	94.1	143.8	-115.1	-2.1	0	0	0	111.6
902	I	32.8	Very low	30.1	Very low	136 Å²	136	137.6 Å²	137.6	70%	0.697	80%	0.796	S	S	*	*				28.5	120.1	127.3	-58.4	161.9	0	0	0	117
903	S	26.9	Very low	30.1	Very low	115 Å²	115	141.1 Å²	141.1	80%	0.804	79%	0.793	S	S	*	*				-156.7	154.3	112.3	-135.8	0	0	0	0	113.8
904	T	29.9	Very low	30.1	Very low	116 Å²	116	140.4 Å²	140.4	71%	0.712	79%	0.792	S	S	*	*			trans	-87.9	168	-177.6	57	0	0	0	0	110.6
905	N	29.2	Very low	30.2	Very low	114 Å²	114	139.5 Å²	139.5	61%	0.61	79%	0.791	S	S	*	*				-164.9	161.4	56.5	-123.3	31.3	0	0	0	111.9
906	E	32.3	Very low	30.1	Very low	149 Å²	149	140.5 Å²	140.5	70%	0.696	78%	0.783	S	S	*	*			trans	46.8	140.8	146.5	-67.7	164.2	153.4	0	0	120.5
907	H	29	Very low	30	Very low	153 Å²	153	141.4 Å²	141.4	71%	0.708	78%	0.782	S	S	*	*			cis	-154.5	157.7	21.7	-124.3	-61.3	0	0	0	110.9
908	H	30.3	Very low	29.9	Very low	250 Å²	250	141.6 Å²	141.6	100%	1.157	78%	0.776	S	S	*	*			trans	75.5	0	171.3	-80.1	-64.6	0	0	0	119

Retrieved 908 of 908 residues in 1066.7 ms (Link to these results)

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