A0A087WWZ6_HUMAN Loading...

PR domain-containing protein 11

May be involved in transcription regulation.

AlphaFold DB , UniProt , Accession A0A087WWZ6, Species HUMAN (Homo sapiens, Human), Gene PRDM11, Length 1,177 aa.

						>A0A087WWZ6_HUMAN|A0A087WWZ6|PRDM11
MTENMKECLAQTNAAVGDMVTVVKTEVCSPLRDQEYGQPCSRRPDSSAMEVEPKKLKGKRDLIVPKSFQQVDFWFCESCQEYFVDECPNHGPPVFVSDTPVPVGIPDRAALTIPQGMEVVKDTSGESDVRCVNEVIPKGHIFGPYEGQISTQDKSAGFFSWLIVDKNNRYKSIDGSDETKANWMRYVVISREEREQNLLAFQHSERIYFRACRDIRPGEWLRVWYSEDYMKRLHSMSQETIHRNLARGEKRLQREKSEQVLDNPEDLRGPIHLSVLRQGKSPYKRGFDEGDVHPQAKKKKIDLIFKDVLEASLESAKVEAHQLALSTSLVIRKVPKYQDDAYSQCATTMTHGVQNIGQTQGEGDWKVPQGVSKEPGQLEDEEEEPSSFKADSPAEASLASDPHELPTTSFCPNCIRLKKKVRELQAELDMLKSGKLPEPPVLPPQVLELPEFSDPAASESMVSGPAIMEDDDQEVDSADESVSNDMMTATDEPSKMSSATGRRIRRFKQEWLKKFWFLRYSPTLNEMWCHVCRQYTVQSSRTSAFIIGSKQFKIHTIKLHSQSNLHKKCLQLYKLRMHPEKTEEMCRNMTLLFNTAYHLALEGRPYLDFRPLAELLRKCELKVVDQYMNEGDCQILIHHIARALREDLVERIRQSPCLSVILDGQSDDLLADTVAVYVQYTSSDGPPATEFLSLQELGFSSTESYLQALDRAFSALGIRLQDEKPTVGLGVDGANITASLRASMFMTIRKTLPWLLCLPFMVHRPHLEILDAISGKELPCLEELENNLKQLLSFYRYSPRLMCELRSTAATLCEETEFLGDIRAVRWIIGEQNVLNALIKDYLEVVAHLKEVSSQTQRADASAIALALLQFLMDYQSIKLIYFLLDVIAVLSRLAYIFQGEYLLVSQVDDKIEEAIQEISRLADSPGEYLQEFEENFRESFNGIAMKNLRVAEAKFQSIREKICQKTQVILAQRFDSRSRIFVKACQVFDLAAWPRSSEELMSYGKEDMVQIFDHLEAIPTFSRDVCREGLDPRGSLLMEWRELKADYYTKNGFKDLISHICKYKQRFPLLNKIIQVLKVLPTSTACCEKGRNALQRVRKNHRSRLTLEQLSDLLTIAVNGPPITNFDAKRALDSWFEEKSGNSYALSAEVLSRMSALEQKPALQTMDHGTEFYPDI
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	28.4	Very low	34.7	Very low	232 Å²	232	144.8 Å²	144.8	100%	1.143	76%	0.764	S	S	*	*				0	149.8	0	-73.7	175.3	169	0	0	107.6
2	T	30.6	Very low	34.7	Very low	124 Å²	124	141.9 Å²	141.9	76%	0.761	76%	0.757	S	S	*	*			trans	52.1	115.7	165.1	50.3	0	0	0	0	117.7
3	E	31.5	Very low	34.2	Very low	157 Å²	157	142.2 Å²	142.2	73%	0.734	76%	0.759	S	S	*	*				80	112.8	61.3	-78.6	-140.4	94.4	0	0	115.9
4	N	38.5	Very low	33.9	Very low	139 Å²	139	139.1 Å²	139.1	74%	0.743	76%	0.763	S	S	*	*				55.2	168.8	110.4	-80.8	-24.5	0	0	0	122.9
5	M	40.9	Very low	33.8	Very low	154 Å²	154	135.9 Å²	135.9	76%	0.759	76%	0.762	S	S	*	*			trans	85.3	150.3	162.4	-59.3	-146.4	-57.9	0	0	116.4
6	K	42.3	Very low	33.3	Very low	151 Å²	151	136.9 Å²	136.9	66%	0.657	77%	0.772	S	S	*	*			cis	-161.7	171.4	-2.6	-121.9	-175.4	178.7	-161.3	0	109.1
7	E	36.4	Very low	33	Very low	124 Å²	124	132.4 Å²	132.4	58%	0.579	76%	0.763	S	S	*	*			cis	-136.9	-134.7	-5.3	-149.7	170.2	-135.4	0	0	106.8
8	C	30.9	Very low	32.8	Very low	109 Å²	109	133 Å²	133	74%	0.736	76%	0.763	S	S	*	*			cis	-158.4	178.8	-4.2	-147.8	0	0	0	0	109.5
9	L	37.1	Very low	32.4	Very low	140 Å²	140	133.9 Å²	133.9	73%	0.733	76%	0.762	S	S	*	*				-158.7	124.2	-90.1	-147.5	177.4	0	0	0	109.7
10	A	31.5	Very low	32.2	Very low	93 Å²	93	132.2 Å²	132.2	77%	0.769	75%	0.754	S	S	*	*			trans	-166	178.4	165.7	0	0	0	0	0	112.8
11	Q	33.4	Very low	31.9	Very low	170 Å²	170	131.3 Å²	131.3	79%	0.794	75%	0.751	S	S	*	*				-157.6	117.2	-84	-145.6	178.5	-1.9	0	0	113.4
12	T	35.1	Very low	31.7	Very low	110 Å²	110	126.2 Å²	126.2	68%	0.675	73%	0.733	S	S	*	*			trans	56.3	141.9	149.3	53.4	0	0	0	0	121.4
13	N	27.5	Very low	31.4	Very low	146 Å²	146	126.1 Å²	126.1	78%	0.781	73%	0.732	S	S	*	*			cis	-161.2	147.9	15.9	-108.9	-16.8	0	0	0	113.4
14	A	29.9	Very low	31	Very low	99 Å²	99	126.1 Å²	126.1	82%	0.818	73%	0.73	S	S	*	*			trans	50.9	149.3	144.3	0	0	0	0	0	123.4
15	A	32.9	Very low	30.4	Very low	91 Å²	91	124.4 Å²	124.4	75%	0.752	72%	0.724	S	S	*	*			cis	-173.5	178.5	-15.8	0	0	0	0	0	112.2
16	V	26.3	Very low	29.5	Very low	152 Å²	152	124.1 Å²	124.1	92%	0.921	72%	0.721	S	S	*	*			trans	93.6	135.3	170.3	-170.8	0	0	0	0	116.6
17	G	27.8	Very low	28.7	Very low	60 Å²	60	123.6 Å²	123.6	62%	0.619	73%	0.73	S	S	*	*			trans	-95.5	-163.5	-173.9	0	0	0	0	0	115.5
18	D	29.9	Very low	28	Very low	143 Å²	143	123.7 Å²	123.7	77%	0.765	74%	0.743	S	S	*	*			cis	-160	-169	12.9	-125.9	-82.2	0	0	0	108.9
19	M	24.8	Very low	27.7	Very low	151 Å²	151	123.2 Å²	123.2	74%	0.744	74%	0.741	S	S	*	*			cis	-156.3	143.7	12.8	-120.1	-176.6	69.5	0	0	107.1
20	V	27.8	Very low	27.9	Very low	98 Å²	98	121.5 Å²	121.5	59%	0.594	74%	0.738	S	S	*	*				67.9	123.9	81.3	172	0	0	0	0	114.1
21	T	26.1	Very low	27.6	Very low	115 Å²	115	123.8 Å²	123.8	71%	0.706	74%	0.737	S	S	*	*			cis	-158.1	147.2	6.5	16.5	0	0	0	0	111.2
22	V	24.7	Very low	27.2	Very low	125 Å²	125	125 Å²	125	76%	0.758	73%	0.734	S	S	*	*				61.2	135.8	87.4	-165.8	0	0	0	0	113.6
23	V	24.6	Very low	26.7	Very low	121 Å²	121	124.7 Å²	124.7	73%	0.733	73%	0.729	S	S	*	*				-153.7	153.7	51.9	-148.8	0	0	0	0	109.2
24	K	23.3	Very low	26.5	Very low	158 Å²	158	124.7 Å²	124.7	69%	0.687	72%	0.724	S	S	*	*				53.1	146.9	59.5	-111.1	-137.4	161.6	-153.4	0	115	E26	K24-E26 IonicContact NZ-OE2 3.32Å; K24-E26 PolarHBondContact NZ-OE2 3.28Å
25	T	25.1	Very low	26.2	Very low	102 Å²	102	126.5 Å²	126.5	63%	0.626	72%	0.715	S	S	*	*			cis	-137	-108.2	28	-50.9	0	0	0	0	117.1
26	E	21.4	Very low	25.9	Very low	148 Å²	148	132.5 Å²	132.5	69%	0.692	72%	0.72	S	S	*	*			trans	-141.7	163.6	-159.5	-74	155.6	101.5	0	0	114.4	K24	K24-E26 IonicContact NZ-OE2 3.32Å; K24-E26 PolarHBondContact NZ-OE2 3.28Å
27	V	25.3	Very low	25.8	Very low	140 Å²	140	129.1 Å²	129.1	85%	0.848	72%	0.716	S	S	*	*			trans	9.1	128.6	151.4	-177	0	0	0	0	120.3
28	C	22.3	Very low	25.7	Very low	127 Å²	127	135.2 Å²	135.2	86%	0.858	73%	0.728	S	S	*	*			trans	-168.2	149.8	133.7	-135.7	0	0	0	0	115
29	S	25.3	Very low	26.6	Very low	99 Å²	99	133.1 Å²	133.1	69%	0.692	72%	0.723	S	S	*	*			trans	-108.8	-175.4	153.8	63.6	0	0	0	0	108
30	P	41.6	Very low	26.5	Very low	103 Å²	103	131.7 Å²	131.7	67%	0.669	73%	0.726	S	S	*	*			cis	-146.4	-159.4	10.9	37.7	-12.2	0	0	0	115.7
31	L	24.1	Very low	26.5	Very low	142 Å²	142	131 Å²	131	74%	0.743	73%	0.725	S	S	*	*			trans	80.8	126.7	150.6	-71.5	167.6	0	0	0	122.8
32	R	25.9	Very low	26.5	Very low	194 Å²	194	136.6 Å²	136.6	73%	0.732	73%	0.734	S	S	*	*			trans	88.2	133.4	131.3	-85.2	180	171	-103.9	3.8	122.5
33	D	24.7	Very low	26.9	Very low	105 Å²	105	141.3 Å²	141.3	56%	0.561	74%	0.738	S	S	*	*			trans	60.9	138.9	132.5	-53	-12.2	0	0	0	119.4
34	Q	24	Very low	27.7	Very low	145 Å²	145	140.5 Å²	140.5	68%	0.678	74%	0.735	S	S	*	*			cis	-163.6	152.8	-9.7	-139.8	169.9	-46.2	0	0	109.8
35	E	23.5	Very low	28	Very low	137 Å²	137	139.5 Å²	139.5	64%	0.64	74%	0.737	S	S	*	*			trans	62.3	150.3	142	-94.8	166.2	-132.9	0	0	125.4
36	Y	24.7	Very low	28.4	Very low	218 Å²	218	139.9 Å²	139.9	86%	0.855	74%	0.744	S	S	*	*			trans	48.9	135.5	155.5	-71.8	-67.7	0	0	0	122.5
37	G	24.5	Very low	28.7	Very low	81 Å²	81	138.4 Å²	138.4	84%	0.835	75%	0.75	S	S	*	*			trans	162.7	44.6	163.4	0	0	0	0	0	121.2
38	Q	26.4	Very low	28.6	Very low	187 Å²	187	135.9 Å²	135.9	87%	0.874	74%	0.744	S	S	*	*			trans	-73.1	168.3	159.3	-93.2	-170.4	-14.5	0	0	111.1
39	P	49.4	Very low	28.7	Very low	100 Å²	100	137.8 Å²	137.8	65%	0.649	74%	0.742	S	S	*	*			cis	-140.2	-156.9	-32.1	38.3	-18.1	0	0	0	112.5
40	C	22.2	Very low	28.6	Very low	120 Å²	120	140.3 Å²	140.3	81%	0.811	74%	0.743	S	S	*	*			trans	74.3	160	155.2	-76	0	0	0	0	120
41	S	26.7	Very low	27.8	Very low	83 Å²	83	141.3 Å²	141.3	58%	0.58	75%	0.747	S	S	*	*			cis	-175.8	135.5	-25.6	176.6	0	0	0	0	112.4
42	R	26.8	Very low	27.8	Very low	234 Å²	234	140.3 Å²	140.3	88%	0.883	74%	0.739	S	S	*	*			trans	61	123.9	155.6	-68.4	167.1	-175.2	-179	0.2	121.9
43	R	34	Very low	28.3	Very low	223 Å²	223	136.6 Å²	136.6	84%	0.842	74%	0.739	S	S	*	*				30.7	154.2	112.5	-69.5	-166.4	-173.4	-167.3	4.4	120.1
44	P	41.7	Very low	28.1	Very low	105 Å²	105	141 Å²	141	68%	0.682	75%	0.753	S	S	*	*			cis	-153.2	171.9	39.5	44	-22.7	0	0	0	120.7
45	D	28.8	Very low	28.2	Very low	137 Å²	137	142.3 Å²	142.3	73%	0.733	76%	0.757	S	S	*	*				34.1	153.9	129.9	-49.4	-15.4	0	0	0	122.7
46	S	33.6	Very low	28.4	Very low	110 Å²	110	144.3 Å²	144.3	77%	0.769	77%	0.771	S	S	*	*			cis	-175	173.1	-7.2	52.5	0	0	0	0	112.5
47	S	26.9	Very low	28.4	Very low	117 Å²	117	144 Å²	144	82%	0.818	77%	0.774	S	S	*	*			trans	153.1	153.4	134.7	58.2	0	0	0	0	118.1
48	A	23.8	Very low	28.4	Very low	87 Å²	87	143.9 Å²	143.9	72%	0.719	77%	0.772	S	S	*	*			trans	61.5	121.6	172.6	0	0	0	0	0	119.1
49	M	23.7	Very low	28.4	Very low	166 Å²	166	144.1 Å²	144.1	82%	0.818	77%	0.771	S	S	*	*			cis	86.8	136	42.9	-65	165.9	73.5	0	0	113.1
50	E	24.3	Very low	27.4	Very low	153 Å²	153	150.8 Å²	150.8	72%	0.715	78%	0.783	S	S	*	*			cis	-162.3	-172.8	3.7	-147.6	170.5	-77.3	0	0	108.7
51	V	23.7	Very low	27.5	Very low	123 Å²	123	151.3 Å²	151.3	75%	0.745	78%	0.778	S	S	*	*			cis	-156.5	168.5	12.4	-154.9	0	0	0	0	110.7
52	E	25.2	Very low	27.7	Very low	122 Å²	122	155.6 Å²	155.6	57%	0.57	79%	0.793	S	S	*	*			trans	-83.4	158.8	160.1	-147.7	-151.7	-110.9	0	0	110.7	K54 K55	E52-K54 PolarHBondContact OE2-N 2.76Å; E52-K55 WeakPolarHBondContact OE1-CE 3.03Å; E52-K55 IonicContact OE1-NZ 3.8Å
53	P	35.2	Very low	27.7	Very low	115 Å²	115	152 Å²	152	75%	0.747	79%	0.79	S	S	*	*				-153.1	149.1	89.2	37.6	-17.8	0	0	0	119
54	K	21.1	Very low	27.3	Very low	197 Å²	197	147.6 Å²	147.6	86%	0.857	79%	0.787	S	S	*	*			trans	80.8	146.3	155.4	-76.1	178.6	178.7	175	0	120.7	E52	E52-K54 PolarHBondContact OE2-N 2.76Å
55	K	27	Very low	26.8	Very low	174 Å²	174	147.9 Å²	147.9	76%	0.757	79%	0.789	S	S	*	*			trans	-129.1	153	-145.9	-60.4	170.6	-178.8	172.6	0	113.7	E52	E52-K55 WeakPolarHBondContact OE1-CE 3.03Å; E52-K55 IonicContact OE1-NZ 3.8Å
56	L	26.4	Very low	26.7	Very low	178 Å²	178	151.1 Å²	151.1	93%	0.932	80%	0.797	S	S	*	*			trans	-141.4	160.7	150	-107.5	168.8	0	0	0	110.4
57	K	25.9	Very low	26.4	Very low	213 Å²	213	150.5 Å²	150.5	93%	0.926	79%	0.792	S	S	*	*			trans	-83.8	137.6	-160.6	-72.3	178.9	176.3	176.3	0	114.7
58	G	23.9	Very low	26.6	Very low	77 Å²	77	154.1 Å²	154.1	79%	0.794	79%	0.794	S	S	*	*			trans	-171.2	104.9	157.8	0	0	0	0	0	111.6
59	K	27.3	Very low	27.2	Very low	192 Å²	192	158.4 Å²	158.4	84%	0.835	80%	0.799	S	S	*	*			trans	-84.5	134.5	169	-83.5	-164.8	170.5	-163.8	0	109.7
60	R	27.8	Very low	28.5	Very low	240 Å²	240	155.1 Å²	155.1	91%	0.906	78%	0.781	S	S	*	*			trans	-131.4	118.1	159.7	-76.1	-178.7	174.1	169	-2.4	106.3
61	D	24.7	Very low	30.1	Very low	132 Å²	132	152 Å²	152	71%	0.706	77%	0.772	S	S	*	*			trans	-83	138.9	178.8	-56.5	-60.2	0	0	0	109.9
62	L	30.6	Very low	32.7	Very low	173 Å²	173	147 Å²	147	91%	0.906	74%	0.742	S	S	*	*			trans	-117.1	110.9	175.2	-83.7	166.8	0	0	0	108.1
63	I	26.9	Very low	35.5	Very low	159 Å²	159	146.5 Å²	146.5	82%	0.815	74%	0.738	S	S	*	*			trans	-129.8	132.5	172.5	-60.9	-178.5	0	0	0	108
64	V	25.5	Very low	38	Very low	130 Å²	130	142.4 Å²	142.4	79%	0.788	71%	0.707	S	S	*	*			trans	-85.6	129.1	-173.9	179.4	0	0	0	0	110.3
65	P	30.2	Very low	41.4	Very low	110 Å²	110	134.7 Å²	134.7	71%	0.714	67%	0.674	S	S	*	*			trans	-77.9	126.2	176.1	30.7	-33.1	0	0	0	111.5
66	K	28.1	Very low	44.6	Very low	205 Å²	205	126.9 Å²	126.9	89%	0.891	64%	0.642	S	S	*	*			trans	-88.6	103.2	157.6	-77.1	-176.3	177.6	177.7	0	108.5
67	S	27.1	Very low	47.6	Very low	97 Å²	97	118.8 Å²	118.8	68%	0.678	60%	0.599	S	S	*	*			trans	-107	115.3	170.1	57.8	0	0	0	0	110.2	Q69	S67-Q69 PolarHBondContact O-N 2.93Å
68	F	29.9	Very low	50.7	Low	193 Å²	193	111.8 Å²	111.8	85%	0.846	58%	0.577	S	S	*	*			trans	-67	127.7	162.5	-71.9	-90.5	0	0	0	108.2	Q70	F68-Q70 PolarHBondContact O-N 3.25Å
69	Q	36.9	Very low	53.8	Low	178 Å²	178	110 Å²	110	83%	0.832	55%	0.552	S	S	*	*			trans	-77.5	113.8	174.5	-74.6	-176.9	-22.8	0	0	109.1	S67 V71	S67-Q69 PolarHBondContact O-N 2.93Å; Q69-V71 PolarHBondContact O-N 3.06Å
70	Q	49.9	Very low	56.8	Low	96 Å²	96	105.8 Å²	105.8	45%	0.449	54%	0.535	S	S	.	.			trans	-68.8	111.1	169.1	-172.5	175	30.1	0	0	108.7	F68	F68-Q70 PolarHBondContact O-N 3.25Å
71	V	59.3	Low	59.5	Low	87 Å²	87	100.2 Å²	100.2	53%	0.527	52%	0.519	S	S	.	.			trans	-86.1	124	171	-177.5	0	0	0	0	107.4	Q69 V84	Q69-V71 PolarHBondContact O-N 3.06Å; V71-V84 HydrophobicContact CG1-CG1 4.49Å
72	D	77.3	Confident	62.5	Low	19 Å²	19	99.3 Å²	99.3	10%	0.102	51%	0.507	C	S	.	.			trans	-84.4	152.6	168.4	-73.1	-43.9	0	0	0	109.3	H203 S204 R232	D72-H203 WeakPolarHBondContact CB-CD2 3.38Å; D72-H203 WeakPolarHBondContact CB-NE2 3.4Å; D72-S204 WeakPolarHBondContact OD2-CA 3.48Å; D72-S204 PolarHBondContact OD2-N 3.17Å; D72-R232 IonicContact OD1-CZ 3.78Å; D72-R232 IonicContact OD1-NH1 3.3Å; D72-R232 PolarHBondContact OD1-NH1 2.92Å; D72-R232 IonicContact OD1-NH2 3.54Å; D72-R232 PolarHBondContact OD1-NH2 2.69Å; D72-R232 IonicContact OD2-NH1 2.71Å
73	F	84	Confident	65.2	Low	112 Å²	112	92 Å²	92	49%	0.491	47%	0.467	S	S	.	.			trans	-117.1	148	-179.8	-64.7	-99.8	0	0	0	110.1	Y82 V84	F73-Y82 HydrophobicContact CB-CD1 4.29Å; F73-V84 HydrophobicContact CD1-CG2 3.83Å; F73-V84 HydrophobicContact CE1-CG2 3.64Å
74	W	89.4	Confident	67.7	Low	28 Å²	28	87.7 Å²	87.7	11%	0.106	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	167.3	164.7	-55.6	111	0	0	0	110.7	Y82 F83 P93 F95 I141 F201 H203	W74-Y82 CarbonylContact O-C 3.54Å; W74-Y82 VanDerWaalsContact O-CA 3.27Å; W74-Y82 WeakPolarHBondContact O-CA 3.42Å; W74-F83 HydrophobicContact CB-CD1 4.23Å; W74-F83 HydrophobicContact CB-CD2 3.96Å; W74-F83 HydrophobicContact CB-CE1 3.82Å; W74-F83 HydrophobicContact CB-CE2 3.57Å; W74-F83 HydrophobicContact CB-CG 4.31Å; W74-F83 HydrophobicContact CB-CZ 3.49Å; W74-F83 VanDerWaalsContact CB-CZ 3.49Å; W74-F83 AromaticContact CD1-CE2 3.88Å; W74-F83 HydrophobicContact CG-CE2 4.02Å; W74-F83 HydrophobicContact CG-CZ 4.27Å; W74-F83 PolarHBondContact N-O 2.98Å; W74-F83 PolarHBondContact O-N 2.89Å; W74-P93 HydrophobicContact CB-CG 4.22Å; W74-P93 HydrophobicContact CD2-CG 3.81Å; W74-P93 HydrophobicContact CE3-CG 4.45Å; W74-P93 HydrophobicContact CG-CG 3.65Å; W74-F95 HydrophobicContact CE3-CZ 4.42Å; W74-F95 AromaticContact CH2-CE1 3.79Å; W74-F95 HydrophobicContact CH2-CE1 3.79Å; W74-F95 AromaticContact CH2-CZ 3.42Å; W74-F95 HydrophobicContact CH2-CZ 3.42Å; W74-F95 VanDerWaalsContact CH2-CZ 3.42Å; W74-F95 HydrophobicContact CZ2-CE1 4.48Å; W74-F95 AromaticContact CZ2-CZ 3.69Å; W74-F95 HydrophobicContact CZ2-CZ 3.69Å; W74-F95 HydrophobicContact CZ3-CE1 4.05Å; W74-F95 AromaticContact CZ3-CZ 3.81Å; W74-F95 HydrophobicContact CZ3-CZ 3.81Å; W74-I141 HydrophobicContact CE3-CD1 4.05Å; W74-I141 HydrophobicContact CZ3-CD1 4.23Å; W74-F201 AromaticContact CE3-CE2 3.88Å; W74-F201 HydrophobicContact CE3-CE2 3.88Å; W74-F201 HydrophobicContact CE3-CZ 4.13Å; W74-F201 AromaticContact CZ3-CE2 3.77Å; W74-F201 HydrophobicContact CZ3-CE2 3.77Å; W74-F201 AromaticContact CZ3-CZ 3.91Å; W74-F201 HydrophobicContact CZ3-CZ 3.91Å; W74-H203 AromaticContact CD2-NE2 3.98Å; W74-H203 AromaticContact CE2-CE1 3.67Å; W74-H203 AromaticContact CE2-NE2 3.6Å; W74-H203 AromaticContact CE3-CD2 3.94Å; W74-H203 HydrophobicContact CH2-CB 4.08Å; W74-H203 AromaticContact CH2-CD2 3.91Å; W74-H203 AromaticContact CH2-CE1 3.58Å; W74-H203 AromaticContact CH2-CG 3.49Å; W74-H203 VanDerWaalsContact CH2-CG 3.49Å; W74-H203 AromaticContact CH2-ND1 3.27Å; W74-H203 VanDerWaalsContact CH2-ND1 3.27Å; W74-H203 WeakPolarHBondContact CH2-ND1 3.36Å; W74-H203 AromaticContact CH2-NE2 3.99Å; W74-H203 AromaticContact CZ2-CE1 3.22Å; W74-H203 WeakPolarHBondContact CZ2-CE1 3.42Å; W74-H203 AromaticContact CZ2-CG 3.94Å; W74-H203 AromaticContact CZ2-ND1 3.44Å; W74-H203 WeakPolarHBondContact CZ2-ND1 3.46Å; W74-H203 AromaticContact CZ2-NE2 3.62Å; W74-H203 HydrophobicContact CZ3-CB 3.92Å; W74-H203 AromaticContact CZ3-CD2 3.88Å; W74-H203 AromaticContact CZ3-CG 3.64Å; W74-H203 AromaticContact CZ3-ND1 3.93Å
75	F	92.2	Very high	70.3	Confident	35 Å²	35	87.2 Å²	87.2	15%	0.154	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	128.5	177.6	179	-75.9	0	0	0	109.6	E77 Q80 E81 Y82 R210	F75-E77 PolarHBondContact O-N 3.2Å; F75-Q80 HydrophobicContact CE1-CB 4.49Å; F75-Q80 VanDerWaalsContact CZ-C 3.5Å; F75-Q80 VanDerWaalsContact CZ-CA 3.47Å; F75-Q80 HydrophobicContact CZ-CB 4.01Å; F75-E81 WeakPolarHBondContact CA-O 3.32Å; F75-Y82 HydrophobicContact CB-CD1 4.23Å; F75-Y82 HydrophobicContact CB-CE1 4.37Å; F75-Y82 AromaticContact CD2-CD1 3.96Å; F75-Y82 HydrophobicContact CD2-CD1 3.96Å; F75-Y82 HydrophobicContact CD2-CD2 4.12Å; F75-Y82 AromaticContact CD2-CE1 3.69Å; F75-Y82 HydrophobicContact CD2-CE1 3.69Å; F75-Y82 AromaticContact CD2-CE2 3.84Å; F75-Y82 HydrophobicContact CD2-CE2 3.84Å; F75-Y82 HydrophobicContact CD2-CG 4.17Å; F75-Y82 AromaticContact CD2-CZ 3.61Å; F75-Y82 HydrophobicContact CE2-CE2 4.03Å; F75-R210 VanDerWaalsContact CB-NH1 3.35Å; F75-R210 VanDerWaalsContact CG-NH1 3.25Å
76	C	92.6	Very high	73.1	Confident	11 Å²	11	88.1 Å²	88.1	7%	0.074	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	110.1	179.5	-179.7	0	0	0	0	110.1	S78 C79 Q80 E81 F83 C87 H90	C76-S78 PolarHBondContact O-N 3.44Å; C76-S78 VanDerWaalsContact O-N 3.15Å; C76-C79 HydrophobicContact CB-CB 4.08Å; C76-C79 PolarHBondContact O-N 3.5Å; C76-C79 PolarHBondContact SG-N 3.25Å; C76-Q80 WeakPolarHBondContact O-CA 3.37Å; C76-Q80 PolarHBondContact O-N 3.2Å; C76-E81 PolarHBondContact N-O 3.31Å; C76-F83 HydrophobicContact CB-CD1 4.08Å; C76-F83 HydrophobicContact CB-CE1 3.75Å; C76-C87 HydrophobicContact CB-CB 4.11Å; C76-C87 VanDerWaalsContact CB-SG 3.55Å; C76-H90 PolarHBondContact SG-ND1 2.93Å; C76-H90 VanDerWaalsContact SG-ND1 3.38Å
77	E	90	Very high	76	Confident	8 Å²	8	78.7 Å²	78.7	4%	0.037	40%	0.396	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-23.6	179.1	-78.4	-76.2	-153.6	0	0	113.4	F75 Q80 K138 R210 C212	F75-E77 PolarHBondContact O-N 3.2Å; E77-Q80 PolarHBondContact O-NE2 3.4Å; E77-Q80 PolarHBondContact OE2-NE2 2.87Å; E77-K138 VanDerWaalsContact C-CE 3.43Å; E77-K138 HydrophobicContact CB-CD 4.46Å; E77-K138 HydrophobicContact CB-CG 3.97Å; E77-K138 WeakPolarHBondContact O-CE 3.16Å; E77-K138 PolarHBondContact O-NZ 3.27Å; E77-R210 VanDerWaalsContact CD-CZ 3.45Å; E77-R210 HydrophobicContact CG-CG 4.36Å; E77-R210 IonicContact OE1-CZ 3.02Å; E77-R210 IonicContact OE1-NE 3.15Å; E77-R210 PolarHBondContact OE1-NE 2.79Å; E77-R210 IonicContact OE1-NH2 3.49Å; E77-R210 PolarHBondContact OE1-NH2 3.37Å; E77-R210 IonicContact OE2-CZ 3.56Å; E77-R210 IonicContact OE2-NH2 3.51Å; E77-R210 PolarHBondContact OE2-NH2 3.05Å; E77-C212 WeakPolarHBondContact OE1-CA 3.46Å; E77-C212 VanDerWaalsContact OE1-CB 3.25Å; E77-C212 WeakPolarHBondContact OE1-CB 3.49Å
78	S	91.3	Very high	78.7	Confident	66 Å²	66	80 Å²	80	46%	0.462	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-33	176.7	-59.9	0	0	0	0	113.4	C76 H90	C76-S78 PolarHBondContact O-N 3.44Å; C76-S78 VanDerWaalsContact O-N 3.15Å; S78-H90 WeakPolarHBondContact CB-CE1 3.26Å; S78-H90 WeakPolarHBondContact CB-NE2 3.44Å
79	C	89.3	Confident	81.3	Confident	39 Å²	39	76.7 Å²	76.7	26%	0.264	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-22.4	175.4	-64.2	0	0	0	0	113.8	C76 E81 C87 N89 H90	C76-C79 HydrophobicContact CB-CB 4.08Å; C76-C79 PolarHBondContact O-N 3.5Å; C76-C79 PolarHBondContact SG-N 3.25Å; C79-E81 VanDerWaalsContact C-N 3.27Å; C79-E81 HydrophobicContact CB-CB 3.95Å; C79-E81 HydrophobicContact CB-CG 4.38Å; C79-C87 VanDerWaalsContact SG-SG 3.68Å; C79-N89 PolarHBondContact SG-ND2 3.07Å; C79-N89 VanDerWaalsContact SG-ND2 3.4Å; C79-H90 PolarHBondContact SG-CE1 3.43Å; C79-H90 PolarHBondContact SG-ND1 2.91Å
80	Q	89.3	Confident	83.9	Confident	103 Å²	103	73.4 Å²	73.4	48%	0.481	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.9	34.6	-162.9	-60.8	-67.3	-62.6	0	0	113.7	F75 C76 E77	F75-Q80 HydrophobicContact CE1-CB 4.49Å; F75-Q80 VanDerWaalsContact CZ-C 3.5Å; F75-Q80 VanDerWaalsContact CZ-CA 3.47Å; F75-Q80 HydrophobicContact CZ-CB 4.01Å; C76-Q80 WeakPolarHBondContact O-CA 3.37Å; C76-Q80 PolarHBondContact O-N 3.2Å; E77-Q80 PolarHBondContact O-NE2 3.4Å; E77-Q80 PolarHBondContact OE2-NE2 2.87Å
81	E	85.4	Confident	85.8	Confident	123 Å²	123	70 Å²	70	58%	0.575	37%	0.368	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.6	155	-173.7	-77.9	-67	176.1	0	0	113	F75 C76 C79	F75-E81 WeakPolarHBondContact CA-O 3.32Å; C76-E81 PolarHBondContact N-O 3.31Å; C79-E81 VanDerWaalsContact C-N 3.27Å; C79-E81 HydrophobicContact CB-CB 3.95Å; C79-E81 HydrophobicContact CB-CG 4.38Å
82	Y	87	Confident	87.4	Confident	114 Å²	114	69 Å²	69	45%	0.447	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	152.7	-178.6	-60.7	-95	0	0	0	113.1	F73 W74 F75 D228	F73-Y82 HydrophobicContact CB-CD1 4.29Å; W74-Y82 CarbonylContact O-C 3.54Å; W74-Y82 VanDerWaalsContact O-CA 3.27Å; W74-Y82 WeakPolarHBondContact O-CA 3.42Å; F75-Y82 HydrophobicContact CB-CD1 4.23Å; F75-Y82 HydrophobicContact CB-CE1 4.37Å; F75-Y82 AromaticContact CD2-CD1 3.96Å; F75-Y82 HydrophobicContact CD2-CD1 3.96Å; F75-Y82 HydrophobicContact CD2-CD2 4.12Å; F75-Y82 AromaticContact CD2-CE1 3.69Å; F75-Y82 HydrophobicContact CD2-CE1 3.69Å; F75-Y82 AromaticContact CD2-CE2 3.84Å; F75-Y82 HydrophobicContact CD2-CE2 3.84Å; F75-Y82 HydrophobicContact CD2-CG 4.17Å; F75-Y82 AromaticContact CD2-CZ 3.61Å; F75-Y82 HydrophobicContact CE2-CE2 4.03Å; Y82-D228 PolarHBondContact OH-OD1 3.46Å; Y82-D228 PolarHBondContact OH-OD2 2.91Å
83	F	87.9	Confident	88.1	Confident	18 Å²	18	69.3 Å²	69.3	8%	0.079	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	162.6	174.4	63	-87.7	0	0	0	111.9	W74 C76 D85 E86 C87 P93	W74-F83 HydrophobicContact CB-CD1 4.23Å; W74-F83 HydrophobicContact CB-CD2 3.96Å; W74-F83 HydrophobicContact CB-CE1 3.82Å; W74-F83 HydrophobicContact CB-CE2 3.57Å; W74-F83 HydrophobicContact CB-CG 4.31Å; W74-F83 HydrophobicContact CB-CZ 3.49Å; W74-F83 VanDerWaalsContact CB-CZ 3.49Å; W74-F83 AromaticContact CD1-CE2 3.88Å; W74-F83 HydrophobicContact CG-CE2 4.02Å; W74-F83 HydrophobicContact CG-CZ 4.27Å; W74-F83 PolarHBondContact N-O 2.98Å; W74-F83 PolarHBondContact O-N 2.89Å; C76-F83 HydrophobicContact CB-CD1 4.08Å; C76-F83 HydrophobicContact CB-CE1 3.75Å; F83-D85 WeakPolarHBondContact CE2-O 3.18Å; F83-E86 WeakPolarHBondContact CB-O 3.5Å; F83-C87 HydrophobicContact CD1-CB 3.8Å; F83-C87 HydrophobicContact CD2-CB 4.48Å; F83-C87 HydrophobicContact CE1-CB 3.79Å; F83-C87 HydrophobicContact CE2-CB 4.45Å; F83-C87 HydrophobicContact CG-CB 4.15Å; F83-C87 HydrophobicContact CZ-CB 4.1Å; F83-P93 HydrophobicContact CE2-CG 3.83Å; F83-P93 HydrophobicContact CZ-CB 4.46Å; F83-P93 HydrophobicContact CZ-CG 3.88Å
84	V	79.3	Confident	88.7	Confident	69 Å²	69	67.6 Å²	67.6	42%	0.418	37%	0.366	S	S	.	.	S	Bend	trans	-87.3	-59.2	-176.7	-177.9	0	0	0	0	111.3	V71 F73	V71-V84 HydrophobicContact CG1-CG1 4.49Å; F73-V84 HydrophobicContact CD1-CG2 3.83Å; F73-V84 HydrophobicContact CE1-CG2 3.64Å
85	D	80.3	Confident	89	Confident	121 Å²	121	70.4 Å²	70.4	65%	0.647	38%	0.378	S	S	*	.	S	Bend	trans	-118.4	-48.7	-178.9	-63.7	-63.2	0	0	0	112.1	F83 P93	F83-D85 WeakPolarHBondContact CE2-O 3.18Å; D85-P93 WeakPolarHBondContact O-CD 3.44Å
86	E	89.1	Confident	89.2	Confident	128 Å²	128	70.3 Å²	70.3	60%	0.598	38%	0.381	S	S	*	.			trans	-130.1	144	179.8	-54.4	-165.9	153.7	0	0	112.6	F83 P92	F83-E86 WeakPolarHBondContact CB-O 3.5Å; E86-P92 HydrophobicContact CG-CB 4.06Å
87	C	89.4	Confident	89.3	Confident	8 Å²	8	74.5 Å²	74.5	5%	0.054	41%	0.41	C	S	.	.	B	Isolated β-bridge	trans	-80	126	172.1	-179.1	0	0	0	0	110.1	C76 C79 F83 N89 H90 G91	C76-C87 HydrophobicContact CB-CB 4.11Å; C76-C87 VanDerWaalsContact CB-SG 3.55Å; C79-C87 VanDerWaalsContact SG-SG 3.68Å; F83-C87 HydrophobicContact CD1-CB 3.8Å; F83-C87 HydrophobicContact CD2-CB 4.48Å; F83-C87 HydrophobicContact CE1-CB 3.79Å; F83-C87 HydrophobicContact CE2-CB 4.45Å; F83-C87 HydrophobicContact CG-CB 4.15Å; F83-C87 HydrophobicContact CZ-CB 4.1Å; C87-N89 PolarHBondContact O-N 3.2Å; C87-H90 HydrophobicContact CB-CB 4.17Å; C87-H90 PolarHBondContact O-N 3.3Å; C87-H90 VanDerWaalsContact O-N 3.09Å; C87-G91 WeakPolarHBondContact CB-O 3.43Å; C87-G91 PolarHBondContact N-O 2.89Å; C87-G91 PolarHBondContact O-N 3.46Å
88	P	82.4	Confident	89.6	Confident	124 Å²	124	75.9 Å²	75.9	81%	0.805	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-22.5	-177.6	-29.3	35.8	0	0	0	116.1
89	N	85.3	Confident	89.8	Confident	124 Å²	124	75.4 Å²	75.4	66%	0.663	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.9	-14.6	-177.1	-58.2	-19.5	0	0	0	113.7	C79 C87	C79-N89 PolarHBondContact SG-ND2 3.07Å; C79-N89 VanDerWaalsContact SG-ND2 3.4Å; C87-N89 PolarHBondContact O-N 3.2Å
90	H	90.4	Very high	90.1	Very high	108 Å²	108	79.7 Å²	79.7	50%	0.5	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	-139.1	-1.9	-167.5	-62.7	101.8	0	0	0	114.7	C76 S78 C79 C87	C76-H90 PolarHBondContact SG-ND1 2.93Å; C76-H90 VanDerWaalsContact SG-ND1 3.38Å; S78-H90 WeakPolarHBondContact CB-CE1 3.26Å; S78-H90 WeakPolarHBondContact CB-NE2 3.44Å; C79-H90 PolarHBondContact SG-CE1 3.43Å; C79-H90 PolarHBondContact SG-ND1 2.91Å; C87-H90 HydrophobicContact CB-CB 4.17Å; C87-H90 PolarHBondContact O-N 3.3Å; C87-H90 VanDerWaalsContact O-N 3.09Å
91	G	90.5	Very high	90.3	Very high	24 Å²	24	75.8 Å²	75.8	25%	0.247	42%	0.423	C	S	.	.	B	Isolated β-bridge	trans	78.4	-165.3	178.8	0	0	0	0	0	114.5	C87	C87-G91 WeakPolarHBondContact CB-O 3.43Å; C87-G91 PolarHBondContact N-O 2.89Å; C87-G91 PolarHBondContact O-N 3.46Å
92	P	92.5	Very high	90.6	Very high	68 Å²	68	74.2 Å²	74.2	44%	0.442	42%	0.423	S	S	.	.	S	Bend	trans	-65.2	161.6	178.3	25.6	-33	0	0	0	112.6	E86	E86-P92 HydrophobicContact CG-CB 4.06Å
93	P	93.3	Very high	90.8	Very high	24 Å²	24	73.4 Å²	73.4	16%	0.156	43%	0.43	C	S	.	.			trans	-68.5	134.6	176.1	-1.7	16.8	0	0	0	110.6	W74 F83 D85 F95 I141	W74-P93 HydrophobicContact CB-CG 4.22Å; W74-P93 HydrophobicContact CD2-CG 3.81Å; W74-P93 HydrophobicContact CE3-CG 4.45Å; W74-P93 HydrophobicContact CG-CG 3.65Å; F83-P93 HydrophobicContact CE2-CG 3.83Å; F83-P93 HydrophobicContact CZ-CB 4.46Å; F83-P93 HydrophobicContact CZ-CG 3.88Å; D85-P93 WeakPolarHBondContact O-CD 3.44Å; P93-F95 HydrophobicContact CB-CE2 3.76Å; P93-F95 HydrophobicContact CB-CZ 4.04Å; P93-F95 HydrophobicContact CG-CE2 4.01Å; P93-F95 HydrophobicContact CG-CZ 4.27Å; P93-F95 VanDerWaalsContact O-CD2 3.23Å; P93-F95 WeakPolarHBondContact O-CD2 3.34Å; P93-F95 WeakPolarHBondContact O-CE2 3.26Å; P93-F95 PolarHBondContact O-N 2.85Å; P93-I141 HydrophobicContact CB-CD1 3.51Å; P93-I141 HydrophobicContact CB-CG1 4.49Å
94	V	95.8	Very high	90.7	Very high	77 Å²	77	74.9 Å²	74.9	47%	0.467	45%	0.45	S	S	.	.			trans	-88.1	111.9	179.3	-173.7	0	0	0	0	110	H140 I141	V94-H140 WeakPolarHBondContact CG1-NE2 3.38Å; V94-I141 PolarHBondContact O-N 3.31Å
95	F	95.9	Very high	91.3	Very high	86 Å²	86	74.7 Å²	74.7	38%	0.377	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	125.4	176.9	-64.3	-91.2	0	0	0	111.1	W74 P93 I141 Y208	W74-F95 HydrophobicContact CE3-CZ 4.42Å; W74-F95 AromaticContact CH2-CE1 3.79Å; W74-F95 HydrophobicContact CH2-CE1 3.79Å; W74-F95 AromaticContact CH2-CZ 3.42Å; W74-F95 HydrophobicContact CH2-CZ 3.42Å; W74-F95 VanDerWaalsContact CH2-CZ 3.42Å; W74-F95 HydrophobicContact CZ2-CE1 4.48Å; W74-F95 AromaticContact CZ2-CZ 3.69Å; W74-F95 HydrophobicContact CZ2-CZ 3.69Å; W74-F95 HydrophobicContact CZ3-CE1 4.05Å; W74-F95 AromaticContact CZ3-CZ 3.81Å; W74-F95 HydrophobicContact CZ3-CZ 3.81Å; P93-F95 HydrophobicContact CB-CE2 3.76Å; P93-F95 HydrophobicContact CB-CZ 4.04Å; P93-F95 HydrophobicContact CG-CE2 4.01Å; P93-F95 HydrophobicContact CG-CZ 4.27Å; P93-F95 VanDerWaalsContact O-CD2 3.23Å; P93-F95 WeakPolarHBondContact O-CD2 3.34Å; P93-F95 WeakPolarHBondContact O-CE2 3.26Å; P93-F95 PolarHBondContact O-N 2.85Å; F95-I141 WeakPolarHBondContact CA-O 3.48Å; F95-I141 HydrophobicContact CD1-CB 3.95Å; F95-I141 HydrophobicContact CD1-CG2 3.84Å; F95-I141 HydrophobicContact CE1-CB 4.05Å; F95-I141 HydrophobicContact CE1-CD1 4.23Å; F95-I141 HydrophobicContact CE1-CG2 3.69Å; F95-I141 HydrophobicContact CZ-CD1 4.22Å; F95-Y208 HydrophobicContact CE1-CD1 4.42Å; F95-Y208 HydrophobicContact CE1-CE1 4.28Å
96	V	96.3	Very high	91.8	Very high	34 Å²	34	74.1 Å²	74.1	21%	0.206	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	118.6	167.2	-176.1	0	0	0	0	108	P114 H140 I141 F142	V96-P114 HydrophobicContact CG1-CB 3.65Å; V96-P114 HydrophobicContact CG1-CG 4.08Å; V96-H140 HydrophobicContact CG2-CB 4.33Å; V96-I141 PolarHBondContact N-O 3.39Å; V96-F142 HydrophobicContact CB-CD1 3.73Å; V96-F142 HydrophobicContact CB-CE1 3.49Å; V96-F142 VanDerWaalsContact CB-CE1 3.49Å; V96-F142 HydrophobicContact CB-CZ 4.36Å; V96-F142 HydrophobicContact CG1-CD1 4.2Å; V96-F142 HydrophobicContact CG1-CE1 3.8Å; V96-F142 HydrophobicContact CG2-CD1 4.21Å; V96-F142 HydrophobicContact CG2-CE1 3.55Å; V96-F142 HydrophobicContact CG2-CZ 3.94Å
97	S	94.4	Very high	91.8	Very high	98 Å²	98	71.5 Å²	71.5	69%	0.685	44%	0.439	S	S	*	.	P	Polyproline II helix	trans	-77.8	137.6	-179.9	-60.2	0	0	0	0	111.8
98	D	96.9	Very high	92.1	Very high	37 Å²	37	72 Å²	72	20%	0.198	44%	0.44	C	S	.	.	P	Polyproline II helix	trans	-59.3	147.8	166.6	-77	20.2	0	0	0	111.3	N182 W183	D98-N182 VanDerWaalsContact OD2-CB 3.24Å; D98-N182 WeakPolarHBondContact OD2-CB 3.47Å; D98-N182 PolarHBondContact OD2-ND2 3.15Å; D98-W183 VanDerWaalsContact CG-NE1 3.31Å; D98-W183 PolarHBondContact OD1-NE1 2.67Å; D98-W183 PolarHBondContact OD2-NE1 3.24Å
99	T	96	Very high	92.7	Very high	57 Å²	57	66 Å²	66	35%	0.35	40%	0.401	S	S	.	.	P	Polyproline II helix	trans	-63.6	128.4	171	-68.4	0	0	0	0	109.3	V101 L111 T112 I113	T99-V101 HydrophobicContact CG2-CG2 4.26Å; T99-V101 PolarHBondContact O-N 2.92Å; T99-L111 WeakPolarHBondContact CB-O 3.5Å; T99-L111 WeakPolarHBondContact CG2-O 3.39Å; T99-T112 PolarHBondContact N-O 3Å; T99-I113 WeakPolarHBondContact CB-O 3.48Å; T99-I113 PolarHBondContact OG1-O 3.35Å
100	P	94.5	Very high	93.2	Very high	128 Å²	128	61 Å²	61	83%	0.831	38%	0.376	S	S	*	.			trans	-75.3	102	-169.7	27.9	-35.2	0	0	0	112.4
101	V	94.6	Very high	93.4	Very high	22 Å²	22	59.9 Å²	59.9	13%	0.133	37%	0.374	C	S	.	.			trans	-121.7	127.7	-178.5	-173.7	0	0	0	0	112.2	T99 V103 I105 R108 L111 T112	T99-V101 HydrophobicContact CG2-CG2 4.26Å; T99-V101 PolarHBondContact O-N 2.92Å; V101-V103 PolarHBondContact O-N 3.31Å; V101-I105 HydrophobicContact CG1-CD1 3.39Å; V101-I105 HydrophobicContact CG1-CG1 3.96Å; V101-R108 HydrophobicContact CB-CG 4.09Å; V101-R108 HydrophobicContact CG1-CB 4.35Å; V101-R108 HydrophobicContact CG1-CG 3.66Å; V101-R108 PolarHBondContact O-NE 2.72Å; V101-R108 VanDerWaalsContact O-NE 3.14Å; V101-L111 HydrophobicContact CG1-CB 4.16Å; V101-L111 HydrophobicContact CG2-CB 3.81Å; V101-L111 WeakPolarHBondContact CG2-O 2.84Å; V101-T112 HydrophobicContact CB-CG2 3.93Å; V101-T112 HydrophobicContact CG2-CG2 4.15Å
102	P	90.9	Very high	93.7	Very high	90 Å²	90	58.8 Å²	58.8	58%	0.584	36%	0.363	S	S	*	.			trans	-57.6	129.6	-180	-25.9	34.9	0	0	0	113.8	R108	P102-R108 WeakPolarHBondContact O-CG 3.15Å
103	V	91.1	Very high	93.9	Very high	97 Å²	97	57 Å²	57	59%	0.588	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	136.8	175.7	177.2	0	0	0	0	110.6	V101 K180	V101-V103 PolarHBondContact O-N 3.31Å; V103-K180 HydrophobicContact CG1-CG 4.2Å
104	G	86.3	Confident	94.1	Very high	49 Å²	49	56 Å²	56	51%	0.505	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	101.2	-5.3	176.9	0	0	0	0	0	115.4	T179	G104-T179 PolarHBondContact N-O 2.75Å
105	I	91.4	Very high	93.8	Very high	65 Å²	65	61.4 Å²	61.4	33%	0.333	36%	0.363	S	S	.	.	S	Bend	trans	-81.2	152.6	172.9	76.1	170.1	0	0	0	111.5	V101 R108 L111 T179	V101-I105 HydrophobicContact CG1-CD1 3.39Å; V101-I105 HydrophobicContact CG1-CG1 3.96Å; I105-R108 HydrophobicContact CG1-CB 3.78Å; I105-R108 HydrophobicContact CG1-CG 4.18Å; I105-R108 WeakPolarHBondContact O-CB 3.28Å; I105-L111 HydrophobicContact CD1-CD1 3.98Å; I105-T179 WeakPolarHBondContact O-CA 3.4Å; I105-T179 WeakPolarHBondContact O-CB 3.34Å; I105-T179 WeakPolarHBondContact O-CG2 3.35Å
106	P	90.2	Very high	93.6	Very high	108 Å²	108	58.1 Å²	58.1	70%	0.701	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	144.5	170.1	-23	34.6	0	0	0	112	R108	P106-R108 PolarHBondContact O-N 3.21Å
107	D	90.6	Very high	93.6	Very high	74 Å²	74	57.2 Å²	57.2	40%	0.396	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.6	23.3	-179.7	-159.4	25.9	0	0	0	115.6	A109 A110 L111	D107-A109 PolarHBondContact O-N 2.86Å; D107-A109 VanDerWaalsContact O-N 3.14Å; D107-A110 PolarHBondContact O-N 3.25Å; D107-A110 VanDerWaalsContact O-N 3.08Å; D107-A110 WeakPolarHBondContact OD1-CB 3.47Å; D107-L111 WeakPolarHBondContact O-CG 3.48Å; D107-L111 PolarHBondContact O-N 2.85Å; D107-L111 VanDerWaalsContact O-N 3.16Å
108	R	95.7	Very high	93.6	Very high	17 Å²	17	56.2 Å²	56.2	6%	0.064	33%	0.331	C	S	.	.	H	α-helix	trans	-51.7	-39.9	177.7	-174	-100.6	-177.8	-175.6	-2.8	111.7	V101 P102 I105 P106 L111 T112 E146 E178 K180 A181	V101-R108 HydrophobicContact CB-CG 4.09Å; V101-R108 HydrophobicContact CG1-CB 4.35Å; V101-R108 HydrophobicContact CG1-CG 3.66Å; V101-R108 PolarHBondContact O-NE 2.72Å; V101-R108 VanDerWaalsContact O-NE 3.14Å; P102-R108 WeakPolarHBondContact O-CG 3.15Å; I105-R108 HydrophobicContact CG1-CB 3.78Å; I105-R108 HydrophobicContact CG1-CG 4.18Å; I105-R108 WeakPolarHBondContact O-CB 3.28Å; P106-R108 PolarHBondContact O-N 3.21Å; R108-L111 PolarHBondContact O-N 3.15Å; R108-T112 WeakPolarHBondContact O-CG2 3.26Å; R108-T112 PolarHBondContact O-N 3.42Å; R108-E146 IonicContact CZ-OE2 2.69Å; R108-E146 IonicContact NH1-OE2 3.75Å; R108-E146 PolarHBondContact NH1-OE2 3.04Å; R108-E146 IonicContact NH2-OE2 3.37Å; R108-E146 PolarHBondContact NH2-OE2 2.89Å; R108-E178 WeakPolarHBondContact CB-O 3.28Å; R108-E178 PolarHBondContact N-O 3.36Å; R108-K180 PolarHBondContact NH1-O 3Å; R108-A181 WeakPolarHBondContact CD-O 3.38Å; R108-A181 PolarHBondContact NH1-O 2.76Å
109	A	94.6	Very high	93.5	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-56.2	-49.6	176.5	0	0	0	0	0	113.1	D107 L111 T112 E178 A181 W183 R185 Y186	D107-A109 PolarHBondContact O-N 2.86Å; D107-A109 VanDerWaalsContact O-N 3.14Å; A109-L111 VanDerWaalsContact C-N 3.35Å; A109-L111 PolarHBondContact O-N 2.85Å; A109-T112 PolarHBondContact O-N 2.89Å; A109-T112 PolarHBondContact O-OG1 3.09Å; A109-E178 HydrophobicContact CB-CB 4.38Å; A109-E178 PolarHBondContact N-O 2.84Å; A109-A181 HydrophobicContact CB-CB 4.37Å; A109-W183 WeakPolarHBondContact O-CA 3.5Å; A109-W183 WeakPolarHBondContact O-CB 3.2Å; A109-W183 PolarHBondContact O-N 2.93Å; A109-R185 HydrophobicContact CB-CG 4.33Å; A109-Y186 HydrophobicContact CB-CE2 3.99Å
110	A	95	Very high	93.4	Very high	17 Å²	17	55.2 Å²	55.2	14%	0.14	33%	0.326	C	S	.	.	H	α-helix	trans	-69.7	-37.1	179.8	0	0	0	0	0	111.5	D107 T112 I113 V119 Y186	D107-A110 PolarHBondContact O-N 3.25Å; D107-A110 VanDerWaalsContact O-N 3.08Å; D107-A110 WeakPolarHBondContact OD1-CB 3.47Å; A110-T112 VanDerWaalsContact C-N 3.25Å; A110-T112 PolarHBondContact O-N 2.94Å; A110-I113 VanDerWaalsContact O-CB 3.29Å; A110-I113 WeakPolarHBondContact O-CB 3.45Å; A110-I113 WeakPolarHBondContact O-CG2 3.49Å; A110-I113 PolarHBondContact O-N 2.67Å; A110-I113 VanDerWaalsContact O-N 3.17Å; A110-V119 HydrophobicContact CB-CG2 4.41Å; A110-Y186 HydrophobicContact CB-CE2 3.9Å
111	L	94.8	Very high	93.1	Very high	86 Å²	86	54.9 Å²	54.9	45%	0.45	31%	0.312	S	S	.	.	H	α-helix	trans	-67.1	-21.1	179.7	-62.7	170.9	0	0	0	113.7	T99 V101 I105 D107 R108 A109 I113	T99-L111 WeakPolarHBondContact CB-O 3.5Å; T99-L111 WeakPolarHBondContact CG2-O 3.39Å; V101-L111 HydrophobicContact CG1-CB 4.16Å; V101-L111 HydrophobicContact CG2-CB 3.81Å; V101-L111 WeakPolarHBondContact CG2-O 2.84Å; I105-L111 HydrophobicContact CD1-CD1 3.98Å; D107-L111 WeakPolarHBondContact O-CG 3.48Å; D107-L111 PolarHBondContact O-N 2.85Å; D107-L111 VanDerWaalsContact O-N 3.16Å; R108-L111 PolarHBondContact O-N 3.15Å; A109-L111 VanDerWaalsContact C-N 3.35Å; A109-L111 PolarHBondContact O-N 2.85Å; L111-I113 PolarHBondContact O-N 3.08Å
112	T	97.1	Very high	92.5	Very high	1 Å²	1	57.3 Å²	57.3	1%	0.006	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-3.5	173.2	53.8	0	0	0	0	114.9	T99 V101 R108 A109 A110 N182 W183	T99-T112 PolarHBondContact N-O 3Å; V101-T112 HydrophobicContact CB-CG2 3.93Å; V101-T112 HydrophobicContact CG2-CG2 4.15Å; R108-T112 WeakPolarHBondContact O-CG2 3.26Å; R108-T112 PolarHBondContact O-N 3.42Å; A109-T112 PolarHBondContact O-N 2.89Å; A109-T112 PolarHBondContact O-OG1 3.09Å; A110-T112 VanDerWaalsContact C-N 3.25Å; A110-T112 PolarHBondContact O-N 2.94Å; T112-N182 HydrophobicContact CG2-CB 4.47Å; T112-N182 VanDerWaalsContact OG1-CA 3.27Å; T112-N182 WeakPolarHBondContact OG1-CA 3.5Å; T112-N182 WeakPolarHBondContact OG1-CB 3.42Å; T112-W183 PolarHBondContact OG1-N 2.65Å
113	I	96.8	Very high	91.9	Very high	30 Å²	30	60.3 Å²	60.3	15%	0.154	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-54.7	132	-177.9	-167.3	66.2	0	0	0	111.8	T99 A110 L111 M117 V119 V129 W183	T99-I113 WeakPolarHBondContact CB-O 3.48Å; T99-I113 PolarHBondContact OG1-O 3.35Å; A110-I113 VanDerWaalsContact O-CB 3.29Å; A110-I113 WeakPolarHBondContact O-CB 3.45Å; A110-I113 WeakPolarHBondContact O-CG2 3.49Å; A110-I113 PolarHBondContact O-N 2.67Å; A110-I113 VanDerWaalsContact O-N 3.17Å; L111-I113 PolarHBondContact O-N 3.08Å; I113-M117 HydrophobicContact CD1-CB 3.61Å; I113-M117 HydrophobicContact CD1-SD 4.34Å; I113-M117 HydrophobicContact CG1-CB 3.69Å; I113-V119 HydrophobicContact CB-CG2 4.14Å; I113-V119 HydrophobicContact CD1-CG2 3.81Å; I113-V119 HydrophobicContact CG1-CG2 4.04Å; I113-V129 HydrophobicContact CD1-CG1 3.75Å; I113-W183 HydrophobicContact CB-CB 4.14Å; I113-W183 HydrophobicContact CB-CG 4.49Å; I113-W183 HydrophobicContact CD1-CB 3.8Å; I113-W183 HydrophobicContact CD1-CD2 3.67Å; I113-W183 HydrophobicContact CD1-CE3 3.51Å; I113-W183 HydrophobicContact CD1-CG 3.81Å; I113-W183 HydrophobicContact CD1-CZ3 4.29Å
114	P	96.5	Very high	91.1	Very high	3 Å²	3	60.4 Å²	60.4	2%	0.019	35%	0.346	C	S	.	.	P	Polyproline II helix	trans	-67.9	154.7	178.9	-21.2	33.6	0	0	0	112.7	V96 G116 M117 W183	V96-P114 HydrophobicContact CG1-CB 3.65Å; V96-P114 HydrophobicContact CG1-CG 4.08Å; P114-G116 PolarHBondContact O-N 3.01Å; P114-M117 HydrophobicContact CG-SD 4.33Å; P114-M117 PolarHBondContact O-N 3.3Å; P114-M117 VanDerWaalsContact O-N 3.08Å; P114-W183 VanDerWaalsContact CD-CE2 3.5Å; P114-W183 HydrophobicContact CG-CZ2 3.94Å
115	Q	90.8	Very high	90.5	Very high	191 Å²	191	60.1 Å²	60.1	89%	0.893	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	129.3	170.2	-174.7	174.9	-4.2	0	0	110
116	G	90.6	Very high	90.1	Very high	17 Å²	17	63.9 Å²	63.9	18%	0.175	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	96.7	4.2	-171.2	0	0	0	0	0	114.3	P114 V132	P114-G116 PolarHBondContact O-N 3.01Å; G116-V132 CarbonylContact C-O 3.03Å; G116-V132 WeakPolarHBondContact CA-O 3.26Å; G116-V132 PolarHBondContact O-N 2.96Å; G116-V132 VanDerWaalsContact O-O 3.06Å
117	M	96	Very high	90	Very high	15 Å²	15	59.7 Å²	59.7	7%	0.074	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	160	170.1	-63.7	-179.2	169.3	0	0	111.9	I113 P114 V129 R130 I136 F142 W183 L221	I113-M117 HydrophobicContact CD1-CB 3.61Å; I113-M117 HydrophobicContact CD1-SD 4.34Å; I113-M117 HydrophobicContact CG1-CB 3.69Å; P114-M117 HydrophobicContact CG-SD 4.33Å; P114-M117 PolarHBondContact O-N 3.3Å; P114-M117 VanDerWaalsContact O-N 3.08Å; M117-V129 HydrophobicContact CB-CG1 4.44Å; M117-R130 WeakPolarHBondContact CA-O 3.48Å; M117-I136 HydrophobicContact CE-CD1 3.37Å; M117-I136 HydrophobicContact CE-CG1 4.44Å; M117-I136 HydrophobicContact CG-CD1 4.32Å; M117-F142 HydrophobicContact CE-CD1 3.86Å; M117-F142 HydrophobicContact CE-CE1 3.17Å; M117-F142 HydrophobicContact CE-CE2 4.07Å; M117-F142 HydrophobicContact CE-CZ 3.3Å; M117-F142 HydrophobicContact SD-CE1 4.16Å; M117-W183 HydrophobicContact CE-CH2 4.03Å; M117-W183 HydrophobicContact SD-CE3 4.38Å; M117-W183 HydrophobicContact SD-CH2 3.49Å; M117-W183 WeakPolarHBondContact SD-CH2 3.28Å; M117-W183 HydrophobicContact SD-CZ2 4.08Å; M117-W183 HydrophobicContact SD-CZ3 3.68Å; M117-L221 HydrophobicContact CE-CD2 3.73Å; M117-L221 HydrophobicContact SD-CD2 3.94Å
118	E	95.2	Very high	90.1	Very high	76 Å²	76	57.5 Å²	57.5	36%	0.355	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	130.2	179	-175.7	-176.2	-164.4	0	0	110	V120 V129 R130 V132	E118-V120 HydrophobicContact CG-CG2 4.07Å; E118-V129 WeakPolarHBondContact O-CA 3.31Å; E118-R130 HydrophobicContact CB-CG 4.23Å; E118-R130 PolarHBondContact N-O 3.3Å; E118-R130 PolarHBondContact O-N 2.94Å; E118-R130 IonicContact OE1-NH2 2.71Å; E118-R130 IonicContact OE2-CZ 3.07Å; E118-R130 IonicContact OE2-NE 3.94Å; E118-R130 PolarHBondContact OE2-NE 2.86Å; E118-R130 IonicContact OE2-NH2 2.79Å; E118-R130 PolarHBondContact OE2-NH2 3.06Å; E118-V132 HydrophobicContact CB-CG1 3.86Å; E118-V132 HydrophobicContact CB-CG2 4.32Å
119	V	95.7	Very high	90.2	Very high	31 Å²	31	56.7 Å²	56.7	19%	0.188	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	114.5	167	-174.4	0	0	0	0	107.8	A110 I113 D128 V129 Y186	A110-V119 HydrophobicContact CB-CG2 4.41Å; I113-V119 HydrophobicContact CB-CG2 4.14Å; I113-V119 HydrophobicContact CD1-CG2 3.81Å; I113-V119 HydrophobicContact CG1-CG2 4.04Å; V119-D128 CarbonylContact C-O 3.56Å; V119-V129 HydrophobicContact CG2-CG2 4.27Å; V119-Y186 HydrophobicContact CG1-CD2 3.67Å; V119-Y186 HydrophobicContact CG1-CE2 4.06Å; V119-Y186 HydrophobicContact CG1-CG 3.93Å; V119-Y186 HydrophobicContact CG2-CD2 4Å
120	V	93.4	Very high	90.2	Very high	43 Å²	43	60.4 Å²	60.4	26%	0.261	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	119.1	178.1	-175	0	0	0	0	108.3	E118 S127 D128 R130 W220	E118-V120 HydrophobicContact CG-CG2 4.07Å; V120-S127 WeakPolarHBondContact O-CA 3.3Å; V120-D128 PolarHBondContact N-O 3.36Å; V120-D128 PolarHBondContact O-N 3.41Å; V120-R130 HydrophobicContact CG2-CG 4.07Å; V120-W220 HydrophobicContact CB-CH2 3.91Å; V120-W220 HydrophobicContact CB-CZ3 3.89Å; V120-W220 HydrophobicContact CG1-CH2 4.15Å; V120-W220 HydrophobicContact CG2-CH2 3.94Å; V120-W220 HydrophobicContact CG2-CZ3 3.92Å
121	K	88	Confident	90.2	Very high	120 Å²	120	59.6 Å²	59.6	52%	0.522	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	131.4	175.6	-163.1	161.5	-163	160.1	0	110.2	G125 E126 S127	K121-G125 WeakPolarHBondContact CE-O 3.26Å; K121-E126 WeakPolarHBondContact CA-O 3.38Å; K121-E126 WeakPolarHBondContact CG-O 3.06Å; K121-S127 WeakPolarHBondContact CD-OG 3.43Å; K121-S127 WeakPolarHBondContact CG-OG 3.3Å
122	D	82.4	Confident	90.1	Very high	74 Å²	74	56.8 Å²	56.8	40%	0.396	31%	0.311	S	S	.	.			trans	-90.1	180	-175.3	94.3	-29.8	0	0	0	112.7	S124 G125 E126	D122-S124 VanDerWaalsContact C-N 3.27Å; D122-S124 VanDerWaalsContact CG-N 3.27Å; D122-S124 PolarHBondContact O-N 3.28Å; D122-S124 VanDerWaalsContact OD1-CA 3.27Å; D122-S124 WeakPolarHBondContact OD1-CA 3.38Å; D122-S124 WeakPolarHBondContact OD1-CB 3.18Å; D122-S124 PolarHBondContact OD1-N 3.43Å; D122-S124 WeakPolarHBondContact OD2-CB 3.27Å; D122-S124 PolarHBondContact OD2-N 3.43Å; D122-S124 PolarHBondContact OD2-OG 3.37Å; D122-G125 PolarHBondContact O-N 3.44Å; D122-G125 PolarHBondContact OD1-N 3.06Å; D122-E126 PolarHBondContact N-O 2.98Å; D122-E126 PolarHBondContact OD1-N 3.37Å
123	T	77	Confident	89.8	Confident	153 Å²	153	63 Å²	63	94%	0.939	34%	0.344	S	S	*	.	S	Bend	trans	-75.5	-12.1	176.7	48.1	0	0	0	0	114.3
124	S	75.3	Confident	89.5	Confident	98 Å²	98	69 Å²	69	69%	0.685	37%	0.372	S	S	*	.	S	Bend	trans	-82.5	-25.8	175.2	-39.3	0	0	0	0	111.5	D122	D122-S124 VanDerWaalsContact C-N 3.27Å; D122-S124 VanDerWaalsContact CG-N 3.27Å; D122-S124 PolarHBondContact O-N 3.28Å; D122-S124 VanDerWaalsContact OD1-CA 3.27Å; D122-S124 WeakPolarHBondContact OD1-CA 3.38Å; D122-S124 WeakPolarHBondContact OD1-CB 3.18Å; D122-S124 PolarHBondContact OD1-N 3.43Å; D122-S124 WeakPolarHBondContact OD2-CB 3.27Å; D122-S124 PolarHBondContact OD2-N 3.43Å; D122-S124 PolarHBondContact OD2-OG 3.37Å
125	G	73.6	Confident	89.3	Confident	43 Å²	43	72.3 Å²	72.3	44%	0.443	39%	0.392	S	S	.	.	S	Bend	trans	104.2	-0.2	-173.4	0	0	0	0	0	113.9	K121 D122	K121-G125 WeakPolarHBondContact CE-O 3.26Å; D122-G125 PolarHBondContact O-N 3.44Å; D122-G125 PolarHBondContact OD1-N 3.06Å
126	E	81.9	Confident	89.6	Confident	145 Å²	145	64.1 Å²	64.1	68%	0.678	35%	0.354	S	S	*	.			trans	-72.9	147.9	173.1	-66.6	-67.1	166.6	0	0	110.2	K121 D122	K121-E126 WeakPolarHBondContact CA-O 3.38Å; K121-E126 WeakPolarHBondContact CG-O 3.06Å; D122-E126 PolarHBondContact N-O 2.98Å; D122-E126 PolarHBondContact OD1-N 3.37Å
127	S	89	Confident	89.9	Confident	20 Å²	20	66 Å²	66	14%	0.14	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	130.6	178.5	-75.7	0	0	0	0	110.1	V120 K121	V120-S127 WeakPolarHBondContact O-CA 3.3Å; K121-S127 WeakPolarHBondContact CD-OG 3.43Å; K121-S127 WeakPolarHBondContact CG-OG 3.3Å
128	D	93.1	Very high	89.9	Confident	28 Å²	28	69 Å²	69	15%	0.15	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	164.5	174.6	-163	-9.7	0	0	0	109.3	V119 V120 V188 W220 R222	V119-D128 CarbonylContact C-O 3.56Å; V120-D128 PolarHBondContact N-O 3.36Å; V120-D128 PolarHBondContact O-N 3.41Å; D128-V188 HydrophobicContact CB-CG2 4.4Å; D128-V188 WeakPolarHBondContact OD1-CG2 3.3Å; D128-W220 HydrophobicContact CB-CE3 3.85Å; D128-W220 HydrophobicContact CB-CZ3 3.8Å; D128-W220 VanDerWaalsContact CG-CE3 3.43Å; D128-R222 VanDerWaalsContact CG-NH1 3.27Å; D128-R222 IonicContact OD1-CZ 3.75Å; D128-R222 IonicContact OD1-NH1 2.68Å; D128-R222 PolarHBondContact OD1-NH1 2.9Å; D128-R222 IonicContact OD1-NH2 3.5Å; D128-R222 IonicContact OD2-CZ 2.69Å; D128-R222 VanDerWaalsContact OD2-CZ 3.3Å; D128-R222 IonicContact OD2-NH1 3.44Å; D128-R222 PolarHBondContact OD2-NH1 2.67Å; D128-R222 IonicContact OD2-NH2 2.71Å; D128-R222 PolarHBondContact OD2-NH2 2.91Å
129	V	96.6	Very high	89.9	Confident	0 Å²	0	66.5 Å²	66.5	0%	0	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	136.4	-177.6	-170.1	0	0	0	0	110.3	I113 M117 E118 V119 W183 V187 W220 L221	I113-V129 HydrophobicContact CD1-CG1 3.75Å; M117-V129 HydrophobicContact CB-CG1 4.44Å; E118-V129 WeakPolarHBondContact O-CA 3.31Å; V119-V129 HydrophobicContact CG2-CG2 4.27Å; V129-W183 HydrophobicContact CG1-CE3 4.2Å; V129-W183 HydrophobicContact CG1-CZ3 4.21Å; V129-W183 HydrophobicContact CG2-CE3 4.49Å; V129-V187 HydrophobicContact CB-CG2 4.33Å; V129-V187 HydrophobicContact CG2-CG2 4.09Å; V129-W220 CarbonylContact O-C 3.59Å; V129-W220 WeakPolarHBondContact O-CA 3.29Å; V129-L221 HydrophobicContact CB-CB 4.39Å; V129-L221 HydrophobicContact CB-CD2 4.28Å; V129-L221 HydrophobicContact CG1-CD1 4.47Å; V129-L221 HydrophobicContact CG1-CD2 3.88Å; V129-L221 PolarHBondContact O-N 3.47Å
130	R	95.4	Very high	89.9	Confident	78 Å²	78	67 Å²	67	29%	0.294	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	154.6	174.9	64.6	179.9	-177.7	-168.2	-2.9	113.2	M117 E118 V120 V132 E219 W220	M117-R130 WeakPolarHBondContact CA-O 3.48Å; E118-R130 HydrophobicContact CB-CG 4.23Å; E118-R130 PolarHBondContact N-O 3.3Å; E118-R130 PolarHBondContact O-N 2.94Å; E118-R130 IonicContact OE1-NH2 2.71Å; E118-R130 IonicContact OE2-CZ 3.07Å; E118-R130 IonicContact OE2-NE 3.94Å; E118-R130 PolarHBondContact OE2-NE 2.86Å; E118-R130 IonicContact OE2-NH2 2.79Å; E118-R130 PolarHBondContact OE2-NH2 3.06Å; V120-R130 HydrophobicContact CG2-CG 4.07Å; R130-V132 HydrophobicContact CG-CG1 4.13Å; R130-E219 WeakPolarHBondContact CA-O 3.33Å; R130-E219 WeakPolarHBondContact CB-O 3.15Å; R130-W220 HydrophobicContact CB-CD2 4.21Å; R130-W220 HydrophobicContact CB-CE3 3.76Å; R130-W220 HydrophobicContact CB-CZ3 4.05Å; R130-W220 HydrophobicContact CG-CE3 4.48Å; R130-W220 HydrophobicContact CG-CZ3 4.27Å
131	C	95.8	Very high	90.1	Very high	0 Å²	0	65.4 Å²	65.4	0%	0	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	140.2	166.5	174.9	0	0	0	0	110.2	E134 I136 I215 R216 G218 E219 L221	C131-E134 PolarHBondContact SG-O 2.82Å; C131-I136 HydrophobicContact CB-CD1 3.88Å; C131-I215 HydrophobicContact CB-CG2 3.93Å; C131-R216 WeakPolarHBondContact CB-O 3.44Å; C131-R216 VanDerWaalsContact SG-C 3.53Å; C131-G218 PolarHBondContact O-N 2.76Å; C131-E219 PolarHBondContact N-O 3.02Å; C131-L221 HydrophobicContact CB-CD1 4.46Å
132	V	92.3	Very high	90.6	Very high	27 Å²	27	59.8 Å²	59.8	16%	0.164	34%	0.336	C	S	.	.			trans	-139.5	158.1	175.8	-63.5	0	0	0	0	111.4	G116 E118 R130 E134	G116-V132 CarbonylContact C-O 3.03Å; G116-V132 WeakPolarHBondContact CA-O 3.26Å; G116-V132 PolarHBondContact O-N 2.96Å; G116-V132 VanDerWaalsContact O-O 3.06Å; E118-V132 HydrophobicContact CB-CG1 3.86Å; E118-V132 HydrophobicContact CB-CG2 4.32Å; R130-V132 HydrophobicContact CG-CG1 4.13Å; V132-E134 VanDerWaalsContact C-N 3.33Å; V132-E134 PolarHBondContact O-N 3.06Å
133	N	89.6	Confident	91.2	Very high	131 Å²	131	57 Å²	57	70%	0.701	33%	0.325	S	S	*	.	S	Bend	trans	67.6	-70.2	-179.3	-44.8	-43	0	0	0	114.9	P217	N133-P217 WeakPolarHBondContact O-CG 3.11Å
134	E	90.4	Very high	92.1	Very high	157 Å²	157	51.4 Å²	51.4	73%	0.734	29%	0.291	S	S	*	.	S	Bend	trans	-124.2	158.5	-171	-65	-170.3	171	0	0	112.2	C131 V132	C131-E134 PolarHBondContact SG-O 2.82Å; V132-E134 VanDerWaalsContact C-N 3.33Å; V132-E134 PolarHBondContact O-N 3.06Å
135	V	94.1	Very high	93.1	Very high	72 Å²	72	46.8 Å²	46.8	44%	0.436	26%	0.259	S	S	.	.			trans	-72.2	128.2	177.9	177.3	0	0	0	0	109.4	P137 D214 I215 R216	V135-P137 VanDerWaalsContact O-CD 3.26Å; V135-P137 WeakPolarHBondContact O-CD 3.33Å; V135-D214 HydrophobicContact CG1-CB 3.9Å; V135-I215 CarbonylContact C-O 3.59Å; V135-I215 WeakPolarHBondContact CA-O 3.37Å; V135-I215 WeakPolarHBondContact CG1-O 3.38Å; V135-R216 HydrophobicContact CG2-CG 4.49Å
136	I	96.9	Very high	94.2	Very high	18 Å²	18	47.4 Å²	47.4	9%	0.092	25%	0.25	C	S	.	.	B	Isolated β-bridge	trans	-79.4	115.4	169.4	-63.7	157.6	0	0	0	107.6	M117 C131 H140 F142 A211 D214 I215	M117-I136 HydrophobicContact CE-CD1 3.37Å; M117-I136 HydrophobicContact CE-CG1 4.44Å; M117-I136 HydrophobicContact CG-CD1 4.32Å; C131-I136 HydrophobicContact CB-CD1 3.88Å; I136-H140 HydrophobicContact CG2-CB 4.15Å; I136-F142 HydrophobicContact CD1-CZ 4.43Å; I136-F142 HydrophobicContact CG2-CE2 4.1Å; I136-F142 HydrophobicContact CG2-CZ 3.7Å; I136-A211 HydrophobicContact CG2-CB 4.28Å; I136-D214 CarbonylContact O-C 3.55Å; I136-D214 VanDerWaalsContact O-CA 3.3Å; I136-D214 WeakPolarHBondContact O-CA 3.14Å; I136-I215 HydrophobicContact CB-CB 4.09Å; I136-I215 HydrophobicContact CB-CG1 4.34Å; I136-I215 HydrophobicContact CD1-CB 4.25Å; I136-I215 HydrophobicContact CD1-CD1 4.45Å; I136-I215 HydrophobicContact CG2-CD1 4.49Å; I136-I215 HydrophobicContact CG2-CG1 4.47Å; I136-I215 PolarHBondContact N-O 3.06Å; I136-I215 PolarHBondContact O-N 2.86Å
137	P	96.6	Very high	94.6	Very high	57 Å²	57	41.4 Å²	41.4	37%	0.37	23%	0.227	S	C	.	.			trans	-73.7	147.7	-177.6	-16.4	31	0	0	0	112.9	V135 G139 H140 D214	V135-P137 VanDerWaalsContact O-CD 3.26Å; V135-P137 WeakPolarHBondContact O-CD 3.33Å; P137-G139 PolarHBondContact O-N 3.17Å; P137-H140 VanDerWaalsContact CD-CE1 3.49Å; P137-H140 WeakPolarHBondContact CD-CE1 3.46Å; P137-H140 WeakPolarHBondContact O-CB 3.28Å; P137-H140 PolarHBondContact O-N 3.4Å; P137-H140 PolarHBondContact O-ND1 2.67Å; P137-D214 WeakPolarHBondContact CA-OD1 3.48Å
138	K	96.6	Very high	94.6	Very high	77 Å²	77	46 Å²	46	34%	0.335	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47.4	136.3	170.6	-177.6	172	175.1	175.6	0	111.5	E77 C212 D214	E77-K138 VanDerWaalsContact C-CE 3.43Å; E77-K138 HydrophobicContact CB-CD 4.46Å; E77-K138 HydrophobicContact CB-CG 3.97Å; E77-K138 WeakPolarHBondContact O-CE 3.16Å; E77-K138 PolarHBondContact O-NZ 3.27Å; K138-C212 WeakPolarHBondContact CD-O 3.41Å; K138-C212 WeakPolarHBondContact CE-O 3.31Å; K138-D214 WeakPolarHBondContact CB-OD1 3.27Å; K138-D214 PolarHBondContact N-OD1 3.19Å
139	G	93.6	Very high	94.3	Very high	25 Å²	25	48.6 Å²	48.6	26%	0.258	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	90	-8	-179.5	0	0	0	0	0	115.9	P137 A211	P137-G139 PolarHBondContact O-N 3.17Å; G139-A211 PolarHBondContact N-O 3.15Å
140	H	96.4	Very high	93.4	Very high	42 Å²	42	50 Å²	50	19%	0.194	27%	0.269	C	S	.	.			trans	-65.1	140.7	174	-78.3	60	0	0	0	111.6	V94 V96 I136 P137 F142 R210 A211	V94-H140 WeakPolarHBondContact CG1-NE2 3.38Å; V96-H140 HydrophobicContact CG2-CB 4.33Å; I136-H140 HydrophobicContact CG2-CB 4.15Å; P137-H140 VanDerWaalsContact CD-CE1 3.49Å; P137-H140 WeakPolarHBondContact CD-CE1 3.46Å; P137-H140 WeakPolarHBondContact O-CB 3.28Å; P137-H140 PolarHBondContact O-N 3.4Å; P137-H140 PolarHBondContact O-ND1 2.67Å; H140-F142 HydrophobicContact CB-CE2 4.37Å; H140-F142 HydrophobicContact CB-CZ 4.41Å; H140-R210 CarbonylContact O-C 3.49Å; H140-R210 VanDerWaalsContact O-CA 3.29Å; H140-R210 WeakPolarHBondContact O-CA 3.28Å; H140-A211 PolarHBondContact O-N 3.06Å
141	I	97.7	Very high	92.1	Very high	9 Å²	9	51.5 Å²	51.5	5%	0.046	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	136.9	-174.1	-54.3	-175.6	0	0	0	110.6	W74 P93 V94 F95 V96 F201 Y208 F209 R210	W74-I141 HydrophobicContact CE3-CD1 4.05Å; W74-I141 HydrophobicContact CZ3-CD1 4.23Å; P93-I141 HydrophobicContact CB-CD1 3.51Å; P93-I141 HydrophobicContact CB-CG1 4.49Å; V94-I141 PolarHBondContact O-N 3.31Å; F95-I141 WeakPolarHBondContact CA-O 3.48Å; F95-I141 HydrophobicContact CD1-CB 3.95Å; F95-I141 HydrophobicContact CD1-CG2 3.84Å; F95-I141 HydrophobicContact CE1-CB 4.05Å; F95-I141 HydrophobicContact CE1-CD1 4.23Å; F95-I141 HydrophobicContact CE1-CG2 3.69Å; F95-I141 HydrophobicContact CZ-CD1 4.22Å; V96-I141 PolarHBondContact N-O 3.39Å; I141-F201 HydrophobicContact CD1-CZ 4.15Å; I141-F201 HydrophobicContact CG2-CE1 4.24Å; I141-F201 HydrophobicContact CG2-CZ 4.06Å; I141-Y208 HydrophobicContact CG2-CD1 3.99Å; I141-Y208 HydrophobicContact CG2-CG 4.19Å; I141-F209 CarbonylContact C-O 3.5Å; I141-F209 WeakPolarHBondContact CA-O 3.41Å; I141-R210 HydrophobicContact CG1-CB 4.25Å
142	F	97.9	Very high	90.1	Very high	1 Å²	1	57 Å²	57	0%	0.004	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	139.2	-177.1	-62	-78.1	0	0	0	111.1	V96 M117 I136 H140 W183 M184 L198 Y208 F209	V96-F142 HydrophobicContact CB-CD1 3.73Å; V96-F142 HydrophobicContact CB-CE1 3.49Å; V96-F142 VanDerWaalsContact CB-CE1 3.49Å; V96-F142 HydrophobicContact CB-CZ 4.36Å; V96-F142 HydrophobicContact CG1-CD1 4.2Å; V96-F142 HydrophobicContact CG1-CE1 3.8Å; V96-F142 HydrophobicContact CG2-CD1 4.21Å; V96-F142 HydrophobicContact CG2-CE1 3.55Å; V96-F142 HydrophobicContact CG2-CZ 3.94Å; M117-F142 HydrophobicContact CE-CD1 3.86Å; M117-F142 HydrophobicContact CE-CE1 3.17Å; M117-F142 HydrophobicContact CE-CE2 4.07Å; M117-F142 HydrophobicContact CE-CZ 3.3Å; M117-F142 HydrophobicContact SD-CE1 4.16Å; I136-F142 HydrophobicContact CD1-CZ 4.43Å; I136-F142 HydrophobicContact CG2-CE2 4.1Å; I136-F142 HydrophobicContact CG2-CZ 3.7Å; H140-F142 HydrophobicContact CB-CE2 4.37Å; H140-F142 HydrophobicContact CB-CZ 4.41Å; F142-W183 HydrophobicContact CB-CH2 4.12Å; F142-W183 HydrophobicContact CB-CZ2 3.87Å; F142-W183 AromaticContact CD1-CH2 3.91Å; F142-W183 HydrophobicContact CD1-CH2 3.91Å; F142-W183 AromaticContact CD1-CZ2 3.73Å; F142-W183 HydrophobicContact CD1-CZ2 3.73Å; F142-W183 HydrophobicContact CG-CH2 4.05Å; F142-W183 HydrophobicContact CG-CZ2 4.06Å; F142-M184 HydrophobicContact CB-CE 4.42Å; F142-M184 WeakPolarHBondContact O-CE 3.36Å; F142-L198 HydrophobicContact CD2-CD2 3.87Å; F142-L198 HydrophobicContact CE2-CD2 3.98Å; F142-Y208 WeakPolarHBondContact O-CA 3.36Å; F142-F209 HydrophobicContact CB-CB 4.39Å; F142-F209 PolarHBondContact N-O 3.44Å; F142-F209 PolarHBondContact O-N 2.97Å
143	G	95.6	Very high	88.1	Confident	15 Å²	15	61 Å²	61	16%	0.155	33%	0.333	C	S	.	.			trans	114.8	-161.5	174.7	0	0	0	0	0	114.6	M184	G143-M184 WeakPolarHBondContact CA-SD 3.43Å
144	P	96.7	Very high	85.8	Confident	37 Å²	37	61.5 Å²	61.5	24%	0.24	33%	0.329	C	S	.	.	P	Polyproline II helix	cis	-70.4	154.4	17.7	29.3	-37.3	0	0	0	114.2	E146 N182 R206 I207 Y208	P144-E146 WeakPolarHBondContact O-CG 3.24Å; P144-E146 PolarHBondContact O-N 2.91Å; P144-N182 PolarHBondContact O-ND2 3.47Å; P144-R206 HydrophobicContact CB-CB 3.72Å; P144-R206 HydrophobicContact CB-CG 3.98Å; P144-I207 CarbonylContact C-O 3.52Å; P144-I207 VanDerWaalsContact CA-O 3.29Å; P144-I207 WeakPolarHBondContact CA-O 3.37Å; P144-Y208 HydrophobicContact CB-CD1 4.43Å; P144-Y208 HydrophobicContact CB-CE1 3.87Å; P144-Y208 HydrophobicContact CB-CE2 4.45Å; P144-Y208 HydrophobicContact CG-CE1 4.37Å
145	Y	96.4	Very high	83.8	Confident	1 Å²	1	59.9 Å²	59.9	0%	0.004	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-59.3	124.1	167.3	-170.4	-83.5	0	0	0	109.4	F159 W161 I173 M184 I207 F209	Y145-F159 PolarHBondContact OH-O 3.49Å; Y145-W161 AromaticContact CD1-CD1 3.93Å; Y145-W161 AromaticContact CD2-CD1 3.97Å; Y145-W161 AromaticContact CD2-NE1 3.84Å; Y145-W161 AromaticContact CE1-CD1 3.6Å; Y145-W161 AromaticContact CE2-CD1 3.67Å; Y145-W161 AromaticContact CE2-NE1 3.41Å; Y145-W161 AromaticContact CZ-CD1 3.46Å; Y145-W161 VanDerWaalsContact CZ-CD1 3.46Å; Y145-W161 AromaticContact CZ-NE1 3.62Å; Y145-I173 HydrophobicContact CD1-CB 4.45Å; Y145-I173 HydrophobicContact CD1-CG2 3.96Å; Y145-I173 HydrophobicContact CE1-CG2 4.46Å; Y145-M184 HydrophobicContact CD2-CB 3.53Å; Y145-M184 HydrophobicContact CD2-CE 4.44Å; Y145-M184 HydrophobicContact CD2-SD 4.49Å; Y145-M184 HydrophobicContact CE2-CB 3.94Å; Y145-M184 HydrophobicContact CG-CB 4.48Å; Y145-I207 PolarHBondContact N-O 3.24Å; Y145-F209 HydrophobicContact CD2-CZ 4Å; Y145-F209 HydrophobicContact CE2-CZ 4.42Å
146	E	95.1	Very high	81.9	Confident	56 Å²	56	59.7 Å²	59.7	26%	0.262	34%	0.341	S	S	.	.	P	Polyproline II helix	trans	-103.4	149.4	-177.5	-61.4	-150.2	117.1	0	0	112.3	R108 P144 A181 N182	R108-E146 IonicContact CZ-OE2 2.69Å; R108-E146 IonicContact NH1-OE2 3.75Å; R108-E146 PolarHBondContact NH1-OE2 3.04Å; R108-E146 IonicContact NH2-OE2 3.37Å; R108-E146 PolarHBondContact NH2-OE2 2.89Å; P144-E146 WeakPolarHBondContact O-CG 3.24Å; P144-E146 PolarHBondContact O-N 2.91Å; E146-A181 WeakPolarHBondContact O-CA 3.36Å; E146-N182 HydrophobicContact CB-CB 4.01Å; E146-N182 HydrophobicContact CG-CB 4.23Å; E146-N182 PolarHBondContact N-OD1 2.82Å
147	G	91.6	Very high	80	Confident	18 Å²	18	60.4 Å²	60.4	19%	0.186	35%	0.353	C	S	.	.	S	Bend	trans	165.3	-179.6	-175.6	0	0	0	0	0	111.5	I149 D174	G147-I149 PolarHBondContact O-N 3.42Å; G147-D174 CarbonylContact C-O 3.59Å; G147-D174 WeakPolarHBondContact CA-O 3.28Å
148	Q	88.8	Confident	78.7	Confident	118 Å²	118	67.1 Å²	67.1	55%	0.551	38%	0.377	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.5	117.8	177.8	-178.2	167.3	-18.2	0	0	110.6	S150 D174	Q148-S150 PolarHBondContact O-N 3.29Å; Q148-D174 PolarHBondContact N-O 3.09Å; Q148-D174 PolarHBondContact O-N 2.97Å
149	I	85.9	Confident	78	Confident	81 Å²	81	66.8 Å²	66.8	42%	0.415	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	124.5	174.2	-55.4	178.9	0	0	0	109.6	G147 K171 S172 I173	G147-I149 PolarHBondContact O-N 3.42Å; I149-K171 HydrophobicContact CG2-CB 4.22Å; I149-K171 HydrophobicContact CG2-CD 4.09Å; I149-S172 CarbonylContact C-O 3.59Å; I149-S172 WeakPolarHBondContact CA-O 3.35Å; I149-I173 HydrophobicContact CG1-CG1 4.48Å
150	S	79.1	Confident	77.7	Confident	29 Å²	29	66.5 Å²	66.5	20%	0.203	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	137.7	-177.1	152.9	0	0	0	0	111	Q148 Q152 K171 S172	Q148-S150 PolarHBondContact O-N 3.29Å; S150-Q152 PolarHBondContact OG-N 3.38Å; S150-Q152 PolarHBondContact OG-O 2.83Å; S150-K171 CarbonylContact O-C 3.57Å; S150-K171 WeakPolarHBondContact O-CA 3.27Å; S150-K171 VanDerWaalsContact O-CB 3.27Å; S150-K171 WeakPolarHBondContact O-CB 3.48Å; S150-S172 WeakPolarHBondContact CB-OG 3.26Å; S150-S172 PolarHBondContact N-O 3.38Å; S150-S172 PolarHBondContact O-N 3.49Å; S150-S172 PolarHBondContact OG-OG 3.31Å
151	T	66.9	Low	77.4	Confident	111 Å²	111	65.1 Å²	65.1	68%	0.681	36%	0.363	S	S	*	.			trans	-100.9	10.7	175.7	53.5	0	0	0	0	113.3	K171	T151-K171 HydrophobicContact CG2-CG 4.33Å
152	Q	54.1	Low	76.9	Confident	114 Å²	114	67.2 Å²	67.2	53%	0.533	37%	0.374	S	S	.	.	S	Bend	trans	-106.8	133.5	177.3	-67.1	-174	0.5	0	0	110.3	S150 K154	S150-Q152 PolarHBondContact OG-N 3.38Å; S150-Q152 PolarHBondContact OG-O 2.83Å; Q152-K154 HydrophobicContact CB-CG 4.22Å; Q152-K154 PolarHBondContact O-N 3.04Å
153	D	49.8	Very low	76.5	Confident	112 Å²	112	67.2 Å²	67.2	60%	0.599	37%	0.374	S	S	*	.			trans	-72.7	67.4	169.9	-166.2	26.3	0	0	0	109.7	N244	D153-N244 PolarHBondContact OD2-ND2 3.37Å
154	K	42.8	Very low	76.1	Confident	142 Å²	142	66.8 Å²	66.8	62%	0.617	37%	0.368	S	S	*	.			trans	-87.8	139.7	165.8	-71	-175.9	176.6	-175.8	0	107.4	Q152 A156	Q152-K154 HydrophobicContact CB-CG 4.22Å; Q152-K154 PolarHBondContact O-N 3.04Å; K154-A156 PolarHBondContact O-N 3.46Å
155	S	46.8	Very low	75.4	Confident	122 Å²	122	65.1 Å²	65.1	85%	0.853	36%	0.357	S	S	*	.			trans	-39.3	123.1	176.7	-48.3	0	0	0	0	111.5	G157	S155-G157 PolarHBondContact O-N 3.37Å
156	A	54.2	Low	74.5	Confident	69 Å²	69	71.3 Å²	71.3	57%	0.57	38%	0.384	S	S	*	.			trans	-59.6	107.7	-177.7	0	0	0	0	0	109.9	K154	K154-A156 PolarHBondContact O-N 3.46Å
157	G	57.5	Low	73.6	Confident	33 Å²	33	74 Å²	74	34%	0.34	40%	0.4	S	S	.	.			trans	-67	165.1	173	0	0	0	0	0	111.2	S155 F159 S160	S155-G157 PolarHBondContact O-N 3.37Å; G157-F159 PolarHBondContact O-N 2.97Å; G157-S160 VanDerWaalsContact O-CB 3.28Å; G157-S160 WeakPolarHBondContact O-CB 3.27Å; G157-S160 PolarHBondContact O-N 3.44Å
158	F	69	Low	72.8	Confident	197 Å²	197	76.9 Å²	76.9	86%	0.864	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	-25.1	-174.7	-62.9	-81	0	0	0	114.8
159	F	82.9	Confident	72.3	Confident	70 Å²	70	76.9 Å²	76.9	31%	0.307	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.6	20.2	178.8	-52.5	-70	0	0	0	113.8	Y145 G157 G175 R185	Y145-F159 PolarHBondContact OH-O 3.49Å; G157-F159 PolarHBondContact O-N 2.97Å; F159-G175 PolarHBondContact O-N 3.26Å; F159-R185 HydrophobicContact CD1-CB 4.16Å; F159-R185 VanDerWaalsContact CD1-O 3.3Å; F159-R185 WeakPolarHBondContact CD1-O 3.46Å; F159-R185 WeakPolarHBondContact CE1-O 3.42Å
160	S	87.8	Confident	72.1	Confident	20 Å²	20	74.8 Å²	74.8	14%	0.14	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	123.2	-171.6	-158	0	0	0	0	113.1	G157 I173	G157-S160 VanDerWaalsContact O-CB 3.28Å; G157-S160 WeakPolarHBondContact O-CB 3.27Å; G157-S160 PolarHBondContact O-N 3.44Å; S160-I173 WeakPolarHBondContact CA-O 3.16Å
161	W	88.6	Confident	72.4	Confident	13 Å²	13	75.3 Å²	75.3	5%	0.049	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	134.7	178	-68	79.4	0	0	0	111.5	Y145 S172 I173 I189 A200 I207 F209 V223 Y225 Y229	Y145-W161 AromaticContact CD1-CD1 3.93Å; Y145-W161 AromaticContact CD2-CD1 3.97Å; Y145-W161 AromaticContact CD2-NE1 3.84Å; Y145-W161 AromaticContact CE1-CD1 3.6Å; Y145-W161 AromaticContact CE2-CD1 3.67Å; Y145-W161 AromaticContact CE2-NE1 3.41Å; Y145-W161 AromaticContact CZ-CD1 3.46Å; Y145-W161 VanDerWaalsContact CZ-CD1 3.46Å; Y145-W161 AromaticContact CZ-NE1 3.62Å; W161-S172 CarbonylContact O-C 3.52Å; W161-S172 WeakPolarHBondContact O-CA 3.34Å; W161-I173 PolarHBondContact N-O 3.34Å; W161-I173 PolarHBondContact O-N 3.35Å; W161-I189 HydrophobicContact CH2-CD1 4.47Å; W161-I189 HydrophobicContact CZ2-CD1 4.01Å; W161-I189 HydrophobicContact CZ2-CG1 4.31Å; W161-A200 HydrophobicContact CE3-CB 4.27Å; W161-A200 HydrophobicContact CH2-CB 3.41Å; W161-A200 VanDerWaalsContact CH2-CB 3.41Å; W161-A200 HydrophobicContact CZ2-CB 4.49Å; W161-A200 HydrophobicContact CZ3-CB 3.25Å; W161-I207 HydrophobicContact CB-CG1 3.89Å; W161-I207 HydrophobicContact CD2-CG2 4.2Å; W161-I207 HydrophobicContact CE3-CG2 4.01Å; W161-I207 HydrophobicContact CG-CG1 4.45Å; W161-F209 AromaticContact CH2-CE1 3.78Å; W161-F209 HydrophobicContact CH2-CE1 3.78Å; W161-F209 HydrophobicContact CH2-CZ 4.17Å; W161-F209 AromaticContact CZ2-CE1 3.62Å; W161-F209 HydrophobicContact CZ2-CE1 3.62Å; W161-F209 AromaticContact CZ2-CZ 3.58Å; W161-F209 HydrophobicContact CZ2-CZ 3.58Å; W161-F209 HydrophobicContact CZ3-CE1 4.31Å; W161-V223 HydrophobicContact CH2-CG1 4.38Å; W161-V223 HydrophobicContact CZ2-CG1 4.36Å; W161-Y225 HydrophobicContact CE3-CE1 4.2Å; W161-Y225 HydrophobicContact CH2-CD1 4.13Å; W161-Y225 AromaticContact CH2-CE1 3.82Å; W161-Y225 HydrophobicContact CH2-CE1 3.82Å; W161-Y225 AromaticContact CZ3-CD1 3.62Å; W161-Y225 HydrophobicContact CZ3-CD1 3.62Å; W161-Y225 AromaticContact CZ3-CE1 3.48Å; W161-Y225 HydrophobicContact CZ3-CE1 3.48Å; W161-Y225 VanDerWaalsContact CZ3-CE1 3.48Å; W161-Y229 AromaticContact CE3-CE1 3.74Å; W161-Y229 HydrophobicContact CE3-CE1 3.74Å; W161-Y229 AromaticContact CE3-CZ 3.99Å; W161-Y229 AromaticContact CZ3-CE1 3.79Å; W161-Y229 HydrophobicContact CZ3-CE1 3.79Å
162	L	88.5	Confident	73.3	Confident	52 Å²	52	70.5 Å²	70.5	27%	0.272	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	140.4	176.4	-70.1	172.5	0	0	0	111.1	Y229 L233	L162-Y229 PolarHBondContact N-OH 3.42Å; L162-Y229 VanDerWaalsContact O-CE2 3.28Å; L162-Y229 WeakPolarHBondContact O-CE2 3.4Å; L162-Y229 PolarHBondContact O-OH 2.94Å; L162-L233 HydrophobicContact CB-CD1 4.32Å; L162-L233 HydrophobicContact CB-CD2 3.55Å; L162-L233 HydrophobicContact CD1-CD2 4.45Å
163	I	89.4	Confident	75.1	Confident	1 Å²	1	65.1 Å²	65.1	1%	0.005	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	148.8	169.3	55.8	170	0	0	0	110.1	Y170 K171 I173 Q202 E205 I207	I163-Y170 CarbonylContact O-C 3.36Å; I163-Y170 VanDerWaalsContact O-CA 3.32Å; I163-Y170 WeakPolarHBondContact O-CA 3.41Å; I163-K171 HydrophobicContact CD1-CB 4.01Å; I163-K171 HydrophobicContact CD1-CD 4.14Å; I163-K171 HydrophobicContact CG1-CB 3.76Å; I163-K171 WeakPolarHBondContact CG1-O 3.47Å; I163-K171 PolarHBondContact N-O 3.05Å; I163-K171 PolarHBondContact O-N 3Å; I163-I173 HydrophobicContact CD1-CD1 4.18Å; I163-I173 HydrophobicContact CD1-CG1 4.01Å; I163-I173 HydrophobicContact CG1-CG1 4.35Å; I163-I173 HydrophobicContact CG2-CD1 4.01Å; I163-I173 HydrophobicContact CG2-CG1 4.3Å; I163-Q202 HydrophobicContact CG2-CG 4.27Å; I163-E205 HydrophobicContact CD1-CB 4.43Å; I163-E205 WeakPolarHBondContact CD1-O 3.35Å; I163-I207 HydrophobicContact CG2-CD1 3.63Å; I163-I207 HydrophobicContact CG2-CG1 3.72Å
164	V	85.8	Confident	76.9	Confident	7 Å²	7	62.4 Å²	62.4	4%	0.042	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	121.3	171.5	-177.9	0	0	0	0	108.4	Y170 Q202 R232 L233 M236	V164-Y170 HydrophobicContact CG2-CD1 4.19Å; V164-Y170 HydrophobicContact CG2-CE1 4.07Å; V164-Q202 PolarHBondContact O-NE2 3.17Å; V164-R232 HydrophobicContact CB-CG 4.32Å; V164-R232 HydrophobicContact CG2-CG 4.03Å; V164-L233 HydrophobicContact CG2-CD2 4.49Å; V164-M236 HydrophobicContact CB-CG 4.22Å; V164-M236 HydrophobicContact CG1-CG 3.6Å; V164-M236 HydrophobicContact CG1-SD 4.09Å; V164-M236 HydrophobicContact CG2-CB 4.15Å; V164-M236 HydrophobicContact CG2-CG 3.52Å
165	D	82.8	Confident	79.2	Confident	1 Å²	1	55.7 Å²	55.7	1%	0.005	29%	0.294	C	S	.	.			trans	-79.5	164.4	176.5	89.4	-7.8	0	0	0	113.1	N167 N168 R169 K171 E205	D165-N167 PolarHBondContact O-N 3.26Å; D165-N167 WeakPolarHBondContact OD1-CA 3.31Å; D165-N167 WeakPolarHBondContact OD1-CB 3.49Å; D165-N167 PolarHBondContact OD1-N 3.45Å; D165-N168 PolarHBondContact O-N 3.21Å; D165-N168 PolarHBondContact OD1-N 3.04Å; D165-R169 PolarHBondContact N-O 3.34Å; D165-R169 WeakPolarHBondContact OD1-CB 3.46Å; D165-R169 PolarHBondContact OD1-N 3.19Å; D165-R169 VanDerWaalsContact OD1-N 3.09Å; D165-R169 IonicContact OD1-NE 3.48Å; D165-R169 PolarHBondContact OD1-NE 3.08Å; D165-R169 IonicContact OD2-CZ 2.97Å; D165-R169 IonicContact OD2-NE 3.66Å; D165-R169 PolarHBondContact OD2-NE 3.42Å; D165-R169 VanDerWaalsContact OD2-NE 3.14Å; D165-R169 IonicContact OD2-NH2 3.11Å; D165-R169 PolarHBondContact OD2-NH2 3.13Å; D165-K171 HydrophobicContact CB-CD 4.03Å; D165-K171 HydrophobicContact CB-CG 4.46Å; D165-K171 VanDerWaalsContact CB-NZ 3.35Å; D165-K171 WeakPolarHBondContact OD2-CE 3.25Å; D165-K171 IonicContact OD2-NZ 3.73Å; D165-E205 WeakPolarHBondContact CB-OE2 3.45Å
166	K	78	Confident	81.3	Confident	132 Å²	132	52.4 Å²	52.4	57%	0.574	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-3.4	179.9	-73.3	171.3	-179.1	-177	0	115.2	E205	K166-E205 WeakPolarHBondContact CB-OE1 3.28Å; K166-E205 HydrophobicContact CG-CG 4.48Å; K166-E205 VanDerWaalsContact CG-OE1 3.31Å; K166-E205 WeakPolarHBondContact CG-OE1 3.26Å; K166-E205 PolarHBondContact N-OE1 3.32Å
167	N	76.4	Confident	83	Confident	112 Å²	112	51.9 Å²	51.9	60%	0.599	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.1	19	173.5	-50.5	-69.3	0	0	0	111.9	D165 R169	D165-N167 PolarHBondContact O-N 3.26Å; D165-N167 WeakPolarHBondContact OD1-CA 3.31Å; D165-N167 WeakPolarHBondContact OD1-CB 3.49Å; D165-N167 PolarHBondContact OD1-N 3.45Å; N167-R169 HydrophobicContact CB-CG 4.46Å
168	N	74.3	Confident	84.7	Confident	79 Å²	79	53.4 Å²	53.4	42%	0.422	26%	0.257	S	S	.	.	S	Bend	trans	54.4	53.6	-175.7	-72.4	2.5	0	0	0	112.7	D165 M236	D165-N168 PolarHBondContact O-N 3.21Å; D165-N168 PolarHBondContact OD1-N 3.04Å; N168-M236 HydrophobicContact CB-CE 3.78Å; N168-M236 HydrophobicContact CB-SD 3.78Å; N168-M236 WeakPolarHBondContact O-CE 3.3Å
169	R	78.3	Confident	85.8	Confident	118 Å²	118	45.8 Å²	45.8	45%	0.445	23%	0.227	S	C	.	.			trans	-131.4	140.8	174.4	-51.6	175.4	-59.1	179.7	4.3	111.3	D165 N167	D165-R169 PolarHBondContact N-O 3.34Å; D165-R169 WeakPolarHBondContact OD1-CB 3.46Å; D165-R169 PolarHBondContact OD1-N 3.19Å; D165-R169 VanDerWaalsContact OD1-N 3.09Å; D165-R169 IonicContact OD1-NE 3.48Å; D165-R169 PolarHBondContact OD1-NE 3.08Å; D165-R169 IonicContact OD2-CZ 2.97Å; D165-R169 IonicContact OD2-NE 3.66Å; D165-R169 PolarHBondContact OD2-NE 3.42Å; D165-R169 VanDerWaalsContact OD2-NE 3.14Å; D165-R169 IonicContact OD2-NH2 3.11Å; D165-R169 PolarHBondContact OD2-NH2 3.13Å; N167-R169 HydrophobicContact CB-CG 4.46Å
170	Y	81.6	Confident	86.2	Confident	37 Å²	37	46.5 Å²	46.5	15%	0.145	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	137	168.9	-68	-55.6	0	0	0	112.1	I163 V164 L233 M236 S237 T240	I163-Y170 CarbonylContact O-C 3.36Å; I163-Y170 VanDerWaalsContact O-CA 3.32Å; I163-Y170 WeakPolarHBondContact O-CA 3.41Å; V164-Y170 HydrophobicContact CG2-CD1 4.19Å; V164-Y170 HydrophobicContact CG2-CE1 4.07Å; Y170-L233 HydrophobicContact CD1-CD2 4.46Å; Y170-L233 HydrophobicContact CE1-CD2 3.85Å; Y170-L233 PolarHBondContact OH-O 3.04Å; Y170-M236 HydrophobicContact CE1-CB 3.76Å; Y170-M236 HydrophobicContact CE2-CB 4.18Å; Y170-M236 VanDerWaalsContact OH-C 3.27Å; Y170-S237 WeakPolarHBondContact OH-CA 3.45Å; Y170-S237 VanDerWaalsContact OH-CB 3.31Å; Y170-S237 WeakPolarHBondContact OH-CB 3.42Å; Y170-S237 PolarHBondContact OH-N 3.08Å; Y170-T240 HydrophobicContact CD2-CG2 3.95Å; Y170-T240 HydrophobicContact CE2-CG2 4.21Å
171	K	85.6	Confident	86.6	Confident	39 Å²	39	45.6 Å²	45.6	17%	0.17	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	159.9	153.4	-52.4	165.7	179.8	163	0	107	I149 S150 T151 I163 D165 E205	I149-K171 HydrophobicContact CG2-CB 4.22Å; I149-K171 HydrophobicContact CG2-CD 4.09Å; S150-K171 CarbonylContact O-C 3.57Å; S150-K171 WeakPolarHBondContact O-CA 3.27Å; S150-K171 VanDerWaalsContact O-CB 3.27Å; S150-K171 WeakPolarHBondContact O-CB 3.48Å; T151-K171 HydrophobicContact CG2-CG 4.33Å; I163-K171 HydrophobicContact CD1-CB 4.01Å; I163-K171 HydrophobicContact CD1-CD 4.14Å; I163-K171 HydrophobicContact CG1-CB 3.76Å; I163-K171 WeakPolarHBondContact CG1-O 3.47Å; I163-K171 PolarHBondContact N-O 3.05Å; I163-K171 PolarHBondContact O-N 3Å; D165-K171 HydrophobicContact CB-CD 4.03Å; D165-K171 HydrophobicContact CB-CG 4.46Å; D165-K171 VanDerWaalsContact CB-NZ 3.35Å; D165-K171 WeakPolarHBondContact OD2-CE 3.25Å; D165-K171 IonicContact OD2-NZ 3.73Å; K171-E205 IonicContact NZ-OE2 2.62Å; K171-E205 PolarHBondContact NZ-OE2 3.48Å
172	S	86.3	Confident	87	Confident	11 Å²	11	45 Å²	45	8%	0.077	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	145.2	165.6	50.5	0	0	0	0	110.7	I149 S150 W161	I149-S172 CarbonylContact C-O 3.59Å; I149-S172 WeakPolarHBondContact CA-O 3.35Å; S150-S172 WeakPolarHBondContact CB-OG 3.26Å; S150-S172 PolarHBondContact N-O 3.38Å; S150-S172 PolarHBondContact O-N 3.49Å; S150-S172 PolarHBondContact OG-OG 3.31Å; W161-S172 CarbonylContact O-C 3.52Å; W161-S172 WeakPolarHBondContact O-CA 3.34Å
173	I	89.9	Confident	87.4	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	109.3	164.9	-47.3	-178.6	0	0	0	106.3	Y145 I149 S160 W161 I163 I207	Y145-I173 HydrophobicContact CD1-CB 4.45Å; Y145-I173 HydrophobicContact CD1-CG2 3.96Å; Y145-I173 HydrophobicContact CE1-CG2 4.46Å; I149-I173 HydrophobicContact CG1-CG1 4.48Å; S160-I173 WeakPolarHBondContact CA-O 3.16Å; W161-I173 PolarHBondContact N-O 3.34Å; W161-I173 PolarHBondContact O-N 3.35Å; I163-I173 HydrophobicContact CD1-CD1 4.18Å; I163-I173 HydrophobicContact CD1-CG1 4.01Å; I163-I173 HydrophobicContact CG1-CG1 4.35Å; I163-I173 HydrophobicContact CG2-CD1 4.01Å; I163-I173 HydrophobicContact CG2-CG1 4.3Å; I173-I207 HydrophobicContact CD1-CG1 4.31Å
174	D	89.3	Confident	87.8	Confident	56 Å²	56	42.5 Å²	42.5	30%	0.299	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	108.1	-176.6	-174.7	0.4	0	0	0	111.4	G147 Q148 S176	G147-D174 CarbonylContact C-O 3.59Å; G147-D174 WeakPolarHBondContact CA-O 3.28Å; Q148-D174 PolarHBondContact N-O 3.09Å; Q148-D174 PolarHBondContact O-N 2.97Å; D174-S176 VanDerWaalsContact C-N 3.3Å; D174-S176 PolarHBondContact O-N 3.44Å; D174-S176 WeakPolarHBondContact OD1-CB 3.47Å; D174-S176 PolarHBondContact OD1-N 2.95Å; D174-S176 PolarHBondContact OD1-OG 3.13Å
175	G	90.6	Very high	88.2	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	21%	0.21	C	C	.	.			trans	-85.5	11.7	177.8	0	0	0	0	0	114.5	F159 D177 A181 R185	F159-G175 PolarHBondContact O-N 3.26Å; G175-D177 VanDerWaalsContact C-N 3.29Å; G175-D177 PolarHBondContact O-N 3.11Å; G175-A181 VanDerWaalsContact O-CB 3.25Å; G175-A181 WeakPolarHBondContact O-CB 3.12Å; G175-R185 PolarHBondContact O-NE 2.98Å
176	S	89.7	Confident	88.8	Confident	53 Å²	53	43.7 Å²	43.7	37%	0.371	21%	0.212	S	C	.	.			trans	-61.8	-34.4	-176	-60.2	0	0	0	0	113.4	D174 E178 R185	D174-S176 VanDerWaalsContact C-N 3.3Å; D174-S176 PolarHBondContact O-N 3.44Å; D174-S176 WeakPolarHBondContact OD1-CB 3.47Å; D174-S176 PolarHBondContact OD1-N 2.95Å; D174-S176 PolarHBondContact OD1-OG 3.13Å; S176-E178 PolarHBondContact O-N 3.18Å; S176-R185 PolarHBondContact O-NH2 3.36Å
177	D	90.5	Very high	89.6	Confident	58 Å²	58	37.9 Å²	37.9	31%	0.31	19%	0.187	S	C	.	.			trans	-83.6	105.1	-179.7	-175.2	-21.8	0	0	0	112.1	G175 T179 K180 A181	G175-D177 VanDerWaalsContact C-N 3.29Å; G175-D177 PolarHBondContact O-N 3.11Å; D177-T179 PolarHBondContact O-N 2.91Å; D177-T179 WeakPolarHBondContact OD1-CA 3.39Å; D177-T179 WeakPolarHBondContact OD1-CB 3.44Å; D177-T179 PolarHBondContact OD1-N 3.33Å; D177-T179 PolarHBondContact OD1-OG1 2.89Å; D177-K180 HydrophobicContact CB-CB 4.39Å; D177-K180 PolarHBondContact O-N 3.01Å; D177-K180 IonicContact OD2-NZ 2.67Å; D177-K180 PolarHBondContact OD2-NZ 3.23Å; D177-A181 WeakPolarHBondContact O-CB 3.46Å; D177-A181 PolarHBondContact O-N 3.07Å
178	E	92.9	Very high	90.4	Very high	66 Å²	66	35.2 Å²	35.2	31%	0.308	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-17.8	-179.8	-71.4	170.8	-175.9	0	0	114.5	R108 A109 S176 R185	R108-E178 WeakPolarHBondContact CB-O 3.28Å; R108-E178 PolarHBondContact N-O 3.36Å; A109-E178 HydrophobicContact CB-CB 4.38Å; A109-E178 PolarHBondContact N-O 2.84Å; S176-E178 PolarHBondContact O-N 3.18Å; E178-R185 IonicContact OE1-CZ 2.65Å; E178-R185 IonicContact OE1-NH1 3.51Å; E178-R185 PolarHBondContact OE1-NH1 3.14Å; E178-R185 IonicContact OE1-NH2 3.12Å; E178-R185 PolarHBondContact OE1-NH2 2.9Å
179	T	92.9	Very high	91.2	Very high	37 Å²	37	34.6 Å²	34.6	23%	0.227	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-15	175.8	74.8	0	0	0	0	113.1	G104 I105 D177	G104-T179 PolarHBondContact N-O 2.75Å; I105-T179 WeakPolarHBondContact O-CA 3.4Å; I105-T179 WeakPolarHBondContact O-CB 3.34Å; I105-T179 WeakPolarHBondContact O-CG2 3.35Å; D177-T179 PolarHBondContact O-N 2.91Å; D177-T179 WeakPolarHBondContact OD1-CA 3.39Å; D177-T179 WeakPolarHBondContact OD1-CB 3.44Å; D177-T179 PolarHBondContact OD1-N 3.33Å; D177-T179 PolarHBondContact OD1-OG1 2.89Å
180	K	91	Very high	91.6	Very high	85 Å²	85	29.5 Å²	29.5	37%	0.37	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-122.1	-23.7	-176.3	-61.1	-178.1	-174.4	64	0	114.2	V103 R108 D177	V103-K180 HydrophobicContact CG1-CG 4.2Å; R108-K180 PolarHBondContact NH1-O 3Å; D177-K180 HydrophobicContact CB-CB 4.39Å; D177-K180 PolarHBondContact O-N 3.01Å; D177-K180 IonicContact OD2-NZ 2.67Å; D177-K180 PolarHBondContact OD2-NZ 3.23Å
181	A	95.6	Very high	91.3	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.186	C	C	.	.	S	Bend	trans	-77.1	170	175.3	0	0	0	0	0	112	R108 A109 E146 G175 D177	R108-A181 WeakPolarHBondContact CD-O 3.38Å; R108-A181 PolarHBondContact NH1-O 2.76Å; A109-A181 HydrophobicContact CB-CB 4.37Å; E146-A181 WeakPolarHBondContact O-CA 3.36Å; G175-A181 VanDerWaalsContact O-CB 3.25Å; G175-A181 WeakPolarHBondContact O-CB 3.12Å; D177-A181 WeakPolarHBondContact O-CB 3.46Å; D177-A181 PolarHBondContact O-N 3.07Å
182	N	97	Very high	91.3	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.199	C	C	.	.			trans	-111	177	167.1	70.3	-26.1	0	0	0	111.4	D98 T112 P144 E146 M184 R185	D98-N182 VanDerWaalsContact OD2-CB 3.24Å; D98-N182 WeakPolarHBondContact OD2-CB 3.47Å; D98-N182 PolarHBondContact OD2-ND2 3.15Å; T112-N182 HydrophobicContact CG2-CB 4.47Å; T112-N182 VanDerWaalsContact OG1-CA 3.27Å; T112-N182 WeakPolarHBondContact OG1-CA 3.5Å; T112-N182 WeakPolarHBondContact OG1-CB 3.42Å; P144-N182 PolarHBondContact O-ND2 3.47Å; E146-N182 HydrophobicContact CB-CB 4.01Å; E146-N182 HydrophobicContact CG-CB 4.23Å; E146-N182 PolarHBondContact N-OD1 2.82Å; N182-M184 PolarHBondContact ND2-SD 3.03Å; N182-M184 VanDerWaalsContact ND2-SD 3.36Å; N182-M184 PolarHBondContact O-N 3.22Å; N182-M184 VanDerWaalsContact O-N 3.08Å; N182-R185 WeakPolarHBondContact O-CG 3.38Å; N182-R185 PolarHBondContact O-N 3.4Å
183	W	97.1	Very high	91.2	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-55.4	-27	-175.3	66.6	-85.5	0	0	0	113.9	D98 A109 T112 I113 P114 M117 V129 F142 R185 Y186 V187 L221	D98-W183 VanDerWaalsContact CG-NE1 3.31Å; D98-W183 PolarHBondContact OD1-NE1 2.67Å; D98-W183 PolarHBondContact OD2-NE1 3.24Å; A109-W183 WeakPolarHBondContact O-CA 3.5Å; A109-W183 WeakPolarHBondContact O-CB 3.2Å; A109-W183 PolarHBondContact O-N 2.93Å; T112-W183 PolarHBondContact OG1-N 2.65Å; I113-W183 HydrophobicContact CB-CB 4.14Å; I113-W183 HydrophobicContact CB-CG 4.49Å; I113-W183 HydrophobicContact CD1-CB 3.8Å; I113-W183 HydrophobicContact CD1-CD2 3.67Å; I113-W183 HydrophobicContact CD1-CE3 3.51Å; I113-W183 HydrophobicContact CD1-CG 3.81Å; I113-W183 HydrophobicContact CD1-CZ3 4.29Å; P114-W183 VanDerWaalsContact CD-CE2 3.5Å; P114-W183 HydrophobicContact CG-CZ2 3.94Å; M117-W183 HydrophobicContact CE-CH2 4.03Å; M117-W183 HydrophobicContact SD-CE3 4.38Å; M117-W183 HydrophobicContact SD-CH2 3.49Å; M117-W183 WeakPolarHBondContact SD-CH2 3.28Å; M117-W183 HydrophobicContact SD-CZ2 4.08Å; M117-W183 HydrophobicContact SD-CZ3 3.68Å; V129-W183 HydrophobicContact CG1-CE3 4.2Å; V129-W183 HydrophobicContact CG1-CZ3 4.21Å; V129-W183 HydrophobicContact CG2-CE3 4.49Å; F142-W183 HydrophobicContact CB-CH2 4.12Å; F142-W183 HydrophobicContact CB-CZ2 3.87Å; F142-W183 AromaticContact CD1-CH2 3.91Å; F142-W183 HydrophobicContact CD1-CH2 3.91Å; F142-W183 AromaticContact CD1-CZ2 3.73Å; F142-W183 HydrophobicContact CD1-CZ2 3.73Å; F142-W183 HydrophobicContact CG-CH2 4.05Å; F142-W183 HydrophobicContact CG-CZ2 4.06Å; W183-R185 PolarHBondContact O-N 3.33Å; W183-Y186 WeakPolarHBondContact O-CB 3.33Å; W183-Y186 WeakPolarHBondContact O-CD2 3.47Å; W183-Y186 PolarHBondContact O-N 3.49Å; W183-V187 HydrophobicContact CE3-CG2 4.06Å; W183-V187 HydrophobicContact CZ3-CG2 3.62Å; W183-L221 HydrophobicContact CH2-CD2 4.18Å; W183-L221 HydrophobicContact CZ3-CD2 3.74Å
184	M	97.4	Very high	90.9	Very high	2 Å²	2	58.1 Å²	58.1	1%	0.01	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-58	-20	-179.8	-61.5	174.9	75.1	0	0	113.2	F142 G143 Y145 N182 Y186 V187 F209	F142-M184 HydrophobicContact CB-CE 4.42Å; F142-M184 WeakPolarHBondContact O-CE 3.36Å; G143-M184 WeakPolarHBondContact CA-SD 3.43Å; Y145-M184 HydrophobicContact CD2-CB 3.53Å; Y145-M184 HydrophobicContact CD2-CE 4.44Å; Y145-M184 HydrophobicContact CD2-SD 4.49Å; Y145-M184 HydrophobicContact CE2-CB 3.94Å; Y145-M184 HydrophobicContact CG-CB 4.48Å; N182-M184 PolarHBondContact ND2-SD 3.03Å; N182-M184 VanDerWaalsContact ND2-SD 3.36Å; N182-M184 PolarHBondContact O-N 3.22Å; N182-M184 VanDerWaalsContact O-N 3.08Å; M184-Y186 PolarHBondContact O-N 3.42Å; M184-V187 PolarHBondContact O-N 3.2Å; M184-F209 HydrophobicContact CB-CE2 3.92Å; M184-F209 HydrophobicContact CB-CZ 4.43Å; M184-F209 HydrophobicContact CE-CB 3.99Å; M184-F209 HydrophobicContact CE-CD1 3.69Å; M184-F209 HydrophobicContact CE-CD2 3.38Å; M184-F209 HydrophobicContact CE-CE1 3.96Å; M184-F209 HydrophobicContact CE-CE2 3.66Å; M184-F209 HydrophobicContact CE-CG 3.39Å; M184-F209 HydrophobicContact CE-CZ 3.94Å; M184-F209 HydrophobicContact CG-CE2 4.41Å
185	R	94.8	Very high	90.9	Very high	19 Å²	19	59.4 Å²	59.4	7%	0.072	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-60.7	-24.1	172.5	79	-175.2	-66.7	-93.3	14.3	113.8	A109 F159 G175 S176 E178 N182 W183	A109-R185 HydrophobicContact CB-CG 4.33Å; F159-R185 HydrophobicContact CD1-CB 4.16Å; F159-R185 VanDerWaalsContact CD1-O 3.3Å; F159-R185 WeakPolarHBondContact CD1-O 3.46Å; F159-R185 WeakPolarHBondContact CE1-O 3.42Å; G175-R185 PolarHBondContact O-NE 2.98Å; S176-R185 PolarHBondContact O-NH2 3.36Å; E178-R185 IonicContact OE1-CZ 2.65Å; E178-R185 IonicContact OE1-NH1 3.51Å; E178-R185 PolarHBondContact OE1-NH1 3.14Å; E178-R185 IonicContact OE1-NH2 3.12Å; E178-R185 PolarHBondContact OE1-NH2 2.9Å; N182-R185 WeakPolarHBondContact O-CG 3.38Å; N182-R185 PolarHBondContact O-N 3.4Å; W183-R185 PolarHBondContact O-N 3.33Å
186	Y	95.1	Very high	91	Very high	13 Å²	13	60.4 Å²	60.4	5%	0.051	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-91.9	-3	-177.5	-59.2	-60.9	0	0	0	113.2	A109 A110 V119 W183 M184 V188	A109-Y186 HydrophobicContact CB-CE2 3.99Å; A110-Y186 HydrophobicContact CB-CE2 3.9Å; V119-Y186 HydrophobicContact CG1-CD2 3.67Å; V119-Y186 HydrophobicContact CG1-CE2 4.06Å; V119-Y186 HydrophobicContact CG1-CG 3.93Å; V119-Y186 HydrophobicContact CG2-CD2 4Å; W183-Y186 WeakPolarHBondContact O-CB 3.33Å; W183-Y186 WeakPolarHBondContact O-CD2 3.47Å; W183-Y186 PolarHBondContact O-N 3.49Å; M184-Y186 PolarHBondContact O-N 3.42Å; Y186-V188 PolarHBondContact O-N 2.86Å
187	V	95.6	Very high	91.4	Very high	10 Å²	10	58.1 Å²	58.1	6%	0.061	26%	0.262	C	S	.	.	S	Bend	trans	-77.8	117.3	179.1	177.4	0	0	0	0	109.7	V129 W183 M184 I189 L198 F209 L221 V223	V129-V187 HydrophobicContact CB-CG2 4.33Å; V129-V187 HydrophobicContact CG2-CG2 4.09Å; W183-V187 HydrophobicContact CE3-CG2 4.06Å; W183-V187 HydrophobicContact CZ3-CG2 3.62Å; M184-V187 PolarHBondContact O-N 3.2Å; V187-I189 PolarHBondContact O-N 3.48Å; V187-L198 HydrophobicContact CG1-CD1 3.99Å; V187-F209 HydrophobicContact CB-CE2 3.99Å; V187-F209 HydrophobicContact CG1-CD2 4.48Å; V187-F209 HydrophobicContact CG1-CE2 4.21Å; V187-F209 HydrophobicContact CG2-CE2 4.21Å; V187-L221 HydrophobicContact CG1-CB 3.95Å; V187-L221 HydrophobicContact CG2-CB 4.36Å; V187-L221 HydrophobicContact CG2-CD2 4.13Å; V187-V223 HydrophobicContact CG1-CB 3.82Å; V187-V223 HydrophobicContact CG1-CG1 3.8Å
188	V	92.3	Very high	91.7	Very high	56 Å²	56	55.3 Å²	55.3	34%	0.339	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	128.4	-177.3	179.6	0	0	0	0	111.1	D128 Y186 R222 V223	D128-V188 HydrophobicContact CB-CG2 4.4Å; D128-V188 WeakPolarHBondContact OD1-CG2 3.3Å; Y186-V188 PolarHBondContact O-N 2.86Å; V188-R222 WeakPolarHBondContact O-CA 3.36Å; V188-V223 PolarHBondContact O-N 3.15Å
189	I	90.9	Very high	91.9	Very high	67 Å²	67	53.6 Å²	53.6	34%	0.344	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	118.7	173.2	-56.5	176.5	0	0	0	108.7	W161 V187 V223 W224	W161-I189 HydrophobicContact CH2-CD1 4.47Å; W161-I189 HydrophobicContact CZ2-CD1 4.01Å; W161-I189 HydrophobicContact CZ2-CG1 4.31Å; V187-I189 PolarHBondContact O-N 3.48Å; I189-V223 CarbonylContact C-O 3.45Å; I189-V223 VanDerWaalsContact CA-O 3.3Å; I189-V223 WeakPolarHBondContact CA-O 3.21Å; I189-V223 HydrophobicContact CB-CG1 4.41Å; I189-V223 HydrophobicContact CG1-CG1 3.86Å; I189-W224 HydrophobicContact CG2-CE3 3.65Å; I189-W224 HydrophobicContact CG2-CZ3 3.7Å
190	S	87	Confident	92	Very high	11 Å²	11	51.9 Å²	51.9	8%	0.077	23%	0.229	C	C	.	.			trans	-120.5	140.2	179.6	-176.4	0	0	0	0	113.8	E192 E195 Q196 V223	S190-E192 PolarHBondContact OG-N 2.85Å; S190-E192 VanDerWaalsContact OG-N 3.12Å; S190-E195 WeakPolarHBondContact CB-OE1 3.33Å; S190-E195 PolarHBondContact OG-OE1 3.17Å; S190-Q196 PolarHBondContact O-NE2 3.35Å; S190-V223 PolarHBondContact N-O 2.82Å
191	R	76.5	Confident	92.2	Very high	218 Å²	218	48.7 Å²	48.7	82%	0.823	22%	0.215	S	C	*	.			trans	-89.3	-7.3	174.1	-65.4	179.3	-176.4	-169.9	0.9	113.4	W224	R191-W224 HydrophobicContact CG-CE3 4.22Å; R191-W224 HydrophobicContact CG-CH2 3.6Å; R191-W224 HydrophobicContact CG-CZ2 4.29Å; R191-W224 HydrophobicContact CG-CZ3 3.54Å
192	E	85.1	Confident	92.1	Very high	96 Å²	96	49.1 Å²	49.1	45%	0.449	22%	0.217	S	C	.	.			trans	-92.3	105.2	-177.9	176.2	56.8	-127.6	0	0	110.3	S190 R194 E195 Q196	S190-E192 PolarHBondContact OG-N 2.85Å; S190-E192 VanDerWaalsContact OG-N 3.12Å; E192-R194 HydrophobicContact CG-CB 4.24Å; E192-R194 PolarHBondContact O-N 3.41Å; E192-R194 WeakPolarHBondContact OE1-CB 3.45Å; E192-R194 VanDerWaalsContact OE1-CD 3.26Å; E192-R194 WeakPolarHBondContact OE1-CD 3.42Å; E192-R194 WeakPolarHBondContact OE1-CG 3.28Å; E192-R194 PolarHBondContact OE1-N 3.44Å; E192-R194 IonicContact OE1-NE 3.87Å; E192-E195 HydrophobicContact CB-CG 4.18Å; E192-E195 HydrophobicContact CG-CG 4.39Å; E192-E195 PolarHBondContact O-N 2.99Å; E192-E195 VanDerWaalsContact O-N 3.08Å; E192-Q196 WeakPolarHBondContact O-CG 3.32Å; E192-Q196 PolarHBondContact O-N 2.95Å
193	E	82.9	Confident	91.8	Very high	159 Å²	159	50 Å²	50	74%	0.743	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.2	-28.7	-176.7	-169.5	176.4	-164.2	0	0	113
194	R	85.1	Confident	91.5	Very high	215 Å²	215	53 Å²	53	81%	0.811	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-28.8	179.7	-64.2	175	180	-153.2	-1.7	114.6	E192 R213	E192-R194 HydrophobicContact CG-CB 4.24Å; E192-R194 PolarHBondContact O-N 3.41Å; E192-R194 WeakPolarHBondContact OE1-CB 3.45Å; E192-R194 VanDerWaalsContact OE1-CD 3.26Å; E192-R194 WeakPolarHBondContact OE1-CD 3.42Å; E192-R194 WeakPolarHBondContact OE1-CG 3.28Å; E192-R194 PolarHBondContact OE1-N 3.44Å; E192-R194 IonicContact OE1-NE 3.87Å; R194-R213 PolarHBondContact O-NH2 3.14Å
195	E	89.7	Confident	91.1	Very high	82 Å²	82	55 Å²	55	38%	0.383	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.8	-22.1	175.6	71.8	170.9	159.9	0	0	112.7	S190 E192 N197 R213 R222	S190-E195 WeakPolarHBondContact CB-OE1 3.33Å; S190-E195 PolarHBondContact OG-OE1 3.17Å; E192-E195 HydrophobicContact CB-CG 4.18Å; E192-E195 HydrophobicContact CG-CG 4.39Å; E192-E195 PolarHBondContact O-N 2.99Å; E192-E195 VanDerWaalsContact O-N 3.08Å; E195-N197 PolarHBondContact O-N 3.21Å; E195-R213 VanDerWaalsContact C-NH2 3.34Å; E195-R213 PolarHBondContact O-NH2 2.91Å; E195-R222 HydrophobicContact CB-CG 4.13Å; E195-R222 HydrophobicContact CG-CB 4.19Å; E195-R222 HydrophobicContact CG-CG 3.84Å; E195-R222 WeakPolarHBondContact O-CB 3.13Å; E195-R222 VanDerWaalsContact OE2-CD 3.28Å; E195-R222 WeakPolarHBondContact OE2-CD 3.43Å; E195-R222 IonicContact OE2-NE 2.68Å; E195-R222 PolarHBondContact OE2-NE 3.26Å
196	Q	92.8	Very high	91	Very high	22 Å²	22	58.2 Å²	58.2	10%	0.103	26%	0.264	C	S	.	.			trans	-51.8	131	176.1	-73.4	169.4	15.8	0	0	112.2	S190 E192 R213 W224	S190-Q196 PolarHBondContact O-NE2 3.35Å; E192-Q196 WeakPolarHBondContact O-CG 3.32Å; E192-Q196 PolarHBondContact O-N 2.95Å; Q196-R213 VanDerWaalsContact O-CZ 3.31Å; Q196-R213 PolarHBondContact O-NE 3.31Å; Q196-R213 PolarHBondContact O-NH2 2.96Å; Q196-W224 HydrophobicContact CG-CB 3.92Å; Q196-W224 VanDerWaalsContact NE2-CB 3.31Å; Q196-W224 VanDerWaalsContact NE2-CG 3.34Å
197	N	96.3	Very high	91	Very high	4 Å²	4	57.6 Å²	57.6	2%	0.021	26%	0.262	C	S	.	.			trans	-138.6	-8.2	175.1	56.2	20.9	0	0	0	113	E195 A211 C212 R213 I215 W220 R222	E195-N197 PolarHBondContact O-N 3.21Å; N197-A211 WeakPolarHBondContact O-CA 3.41Å; N197-C212 PolarHBondContact O-N 3.47Å; N197-C212 PolarHBondContact O-SG 3.36Å; N197-R213 HydrophobicContact CB-CG 4.03Å; N197-I215 HydrophobicContact CB-CD1 4.03Å; N197-I215 HydrophobicContact CB-CG1 4.05Å; N197-W220 PolarHBondContact ND2-O 3.21Å; N197-R222 PolarHBondContact N-O 3.08Å; N197-R222 PolarHBondContact OD1-N 2.63Å; N197-R222 PolarHBondContact OD1-O 2.93Å
198	L	97.8	Very high	91.1	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	141.9	172.3	-68.5	171.9	0	0	0	111.5	F142 V187 F209 R210 A211 I215 L221 R222 V223 W224	F142-L198 HydrophobicContact CD2-CD2 3.87Å; F142-L198 HydrophobicContact CE2-CD2 3.98Å; V187-L198 HydrophobicContact CG1-CD1 3.99Å; L198-F209 HydrophobicContact CB-CB 4.4Å; L198-F209 HydrophobicContact CD1-CB 4.43Å; L198-F209 HydrophobicContact CD1-CD2 4.27Å; L198-F209 HydrophobicContact CD2-CB 4.3Å; L198-R210 CarbonylContact C-O 3.59Å; L198-R210 VanDerWaalsContact CA-O 3.3Å; L198-R210 WeakPolarHBondContact CA-O 3.48Å; L198-A211 HydrophobicContact CD2-CB 4.46Å; L198-I215 HydrophobicContact CD2-CD1 4.11Å; L198-I215 HydrophobicContact CG-CD1 4.26Å; L198-L221 HydrophobicContact CD1-CB 3.93Å; L198-L221 HydrophobicContact CD1-CD2 3.79Å; L198-L221 HydrophobicContact CD1-CG 3.84Å; L198-R222 PolarHBondContact N-O 3.34Å; L198-V223 HydrophobicContact CB-CB 3.95Å; L198-V223 HydrophobicContact CB-CG2 3.88Å; L198-V223 WeakPolarHBondContact O-CA 3.49Å; L198-W224 PolarHBondContact O-N 2.92Å
199	L	96.9	Very high	91.4	Very high	30 Å²	30	55.9 Å²	55.9	16%	0.157	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	126	169.4	-69.8	176.5	0	0	0	110.9	F209 R210 C212 W224	L199-F209 CarbonylContact O-C 3.52Å; L199-F209 WeakPolarHBondContact O-CA 3.46Å; L199-R210 HydrophobicContact CB-CG 4.16Å; L199-R210 PolarHBondContact N-O 3.08Å; L199-R210 PolarHBondContact O-N 3.42Å; L199-C212 HydrophobicContact CD1-CB 3.89Å; L199-C212 HydrophobicContact CG-CB 4.03Å; L199-W224 CarbonylContact C-O 3.57Å; L199-W224 WeakPolarHBondContact CA-O 3.46Å; L199-W224 HydrophobicContact CD2-CB 4.38Å
200	A	96.3	Very high	91.7	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	130.1	-179.6	0	0	0	0	0	111.9	W161 Y208 F209 V223 W224 S226 Y229	W161-A200 HydrophobicContact CE3-CB 4.27Å; W161-A200 HydrophobicContact CH2-CB 3.41Å; W161-A200 VanDerWaalsContact CH2-CB 3.41Å; W161-A200 HydrophobicContact CZ2-CB 4.49Å; W161-A200 HydrophobicContact CZ3-CB 3.25Å; A200-Y208 WeakPolarHBondContact CA-O 3.37Å; A200-F209 HydrophobicContact CB-CD1 3.5Å; A200-F209 VanDerWaalsContact CB-CD1 3.5Å; A200-F209 HydrophobicContact CB-CE1 3.63Å; A200-V223 HydrophobicContact CB-CG2 3.77Å; A200-W224 PolarHBondContact N-O 2.96Å; A200-S226 WeakPolarHBondContact O-CB 3.06Å; A200-S226 PolarHBondContact O-N 3.36Å; A200-S226 PolarHBondContact O-OG 3.07Å; A200-Y229 WeakPolarHBondContact O-CB 3.33Å
201	F	94.6	Very high	92.2	Very high	18 Å²	18	53 Å²	53	8%	0.079	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	156.5	-177.6	71.6	-74.7	0	0	0	113.4	W74 I141 H203 I207 Y208 R210 S226	W74-F201 AromaticContact CE3-CE2 3.88Å; W74-F201 HydrophobicContact CE3-CE2 3.88Å; W74-F201 HydrophobicContact CE3-CZ 4.13Å; W74-F201 AromaticContact CZ3-CE2 3.77Å; W74-F201 HydrophobicContact CZ3-CE2 3.77Å; W74-F201 AromaticContact CZ3-CZ 3.91Å; W74-F201 HydrophobicContact CZ3-CZ 3.91Å; I141-F201 HydrophobicContact CD1-CZ 4.15Å; I141-F201 HydrophobicContact CG2-CE1 4.24Å; I141-F201 HydrophobicContact CG2-CZ 4.06Å; F201-H203 HydrophobicContact CD2-CB 4.42Å; F201-H203 HydrophobicContact CE2-CB 4.05Å; F201-I207 WeakPolarHBondContact O-CA 3.42Å; F201-Y208 VanDerWaalsContact CD1-O 3.26Å; F201-Y208 WeakPolarHBondContact CD1-O 3.49Å; F201-Y208 HydrophobicContact CZ-CG 4.35Å; F201-Y208 PolarHBondContact N-O 3.25Å; F201-Y208 PolarHBondContact O-N 3.24Å; F201-R210 HydrophobicContact CD1-CB 4.4Å; F201-R210 HydrophobicContact CD1-CG 4.34Å; F201-R210 HydrophobicContact CE1-CB 3.89Å; F201-R210 HydrophobicContact CE1-CG 4.29Å; F201-S226 WeakPolarHBondContact CB-OG 3.39Å
202	Q	93.2	Very high	93	Very high	9 Å²	9	44 Å²	44	4%	0.042	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	130.1	175.4	-174.8	-171.6	-45.2	0	0	111.2	I163 V164 R206 I207 Y229 R232	I163-Q202 HydrophobicContact CG2-CG 4.27Å; V164-Q202 PolarHBondContact O-NE2 3.17Å; Q202-R206 CarbonylContact C-O 3.58Å; Q202-R206 VanDerWaalsContact CA-O 3.25Å; Q202-R206 WeakPolarHBondContact CA-O 3.17Å; Q202-R206 WeakPolarHBondContact CG-O 3.34Å; Q202-I207 HydrophobicContact CB-CD1 4.08Å; Q202-Y229 HydrophobicContact CB-CD2 3.91Å; Q202-Y229 HydrophobicContact CB-CE2 4.2Å; Q202-R232 VanDerWaalsContact CD-CD 3.49Å
203	H	91.4	Very high	93.5	Very high	18 Å²	18	43.7 Å²	43.7	8%	0.083	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	133.5	167.4	-169.7	-85.9	0	0	0	110.4	D72 W74 F201 E205 R206 Y208	D72-H203 WeakPolarHBondContact CB-CD2 3.38Å; D72-H203 WeakPolarHBondContact CB-NE2 3.4Å; W74-H203 AromaticContact CD2-NE2 3.98Å; W74-H203 AromaticContact CE2-CE1 3.67Å; W74-H203 AromaticContact CE2-NE2 3.6Å; W74-H203 AromaticContact CE3-CD2 3.94Å; W74-H203 HydrophobicContact CH2-CB 4.08Å; W74-H203 AromaticContact CH2-CD2 3.91Å; W74-H203 AromaticContact CH2-CE1 3.58Å; W74-H203 AromaticContact CH2-CG 3.49Å; W74-H203 VanDerWaalsContact CH2-CG 3.49Å; W74-H203 AromaticContact CH2-ND1 3.27Å; W74-H203 VanDerWaalsContact CH2-ND1 3.27Å; W74-H203 WeakPolarHBondContact CH2-ND1 3.36Å; W74-H203 AromaticContact CH2-NE2 3.99Å; W74-H203 AromaticContact CZ2-CE1 3.22Å; W74-H203 WeakPolarHBondContact CZ2-CE1 3.42Å; W74-H203 AromaticContact CZ2-CG 3.94Å; W74-H203 AromaticContact CZ2-ND1 3.44Å; W74-H203 WeakPolarHBondContact CZ2-ND1 3.46Å; W74-H203 AromaticContact CZ2-NE2 3.62Å; W74-H203 HydrophobicContact CZ3-CB 3.92Å; W74-H203 AromaticContact CZ3-CD2 3.88Å; W74-H203 AromaticContact CZ3-CG 3.64Å; W74-H203 AromaticContact CZ3-ND1 3.93Å; F201-H203 HydrophobicContact CD2-CB 4.42Å; F201-H203 HydrophobicContact CE2-CB 4.05Å; H203-E205 PolarHBondContact O-N 3.01Å; H203-R206 PolarHBondContact N-O 2.97Å; H203-R206 PolarHBondContact O-N 2.71Å; H203-Y208 HydrophobicContact CB-CD2 3.98Å; H203-Y208 HydrophobicContact CB-CE2 3.99Å
204	S	89.1	Confident	94.2	Very high	64 Å²	64	40 Å²	40	45%	0.448	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	52	46.9	177.1	-67	0	0	0	0	114.8	D72 R206	D72-S204 WeakPolarHBondContact OD2-CA 3.48Å; D72-S204 PolarHBondContact OD2-N 3.17Å; S204-R206 PolarHBondContact O-N 2.83Å
205	E	89.3	Confident	94.8	Very high	43 Å²	43	29.8 Å²	29.8	20%	0.201	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.8	24.3	-173.9	-56.8	-167.3	-160.2	0	0	114.9	I163 D165 K166 K171 H203	I163-E205 HydrophobicContact CD1-CB 4.43Å; I163-E205 WeakPolarHBondContact CD1-O 3.35Å; D165-E205 WeakPolarHBondContact CB-OE2 3.45Å; K166-E205 WeakPolarHBondContact CB-OE1 3.28Å; K166-E205 HydrophobicContact CG-CG 4.48Å; K166-E205 VanDerWaalsContact CG-OE1 3.31Å; K166-E205 WeakPolarHBondContact CG-OE1 3.26Å; K166-E205 PolarHBondContact N-OE1 3.32Å; K171-E205 IonicContact NZ-OE2 2.62Å; K171-E205 PolarHBondContact NZ-OE2 3.48Å; H203-E205 PolarHBondContact O-N 3.01Å
206	R	92.8	Very high	95	Very high	87 Å²	87	33.6 Å²	33.6	33%	0.328	15%	0.154	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	160.5	173.1	-61.7	-62.3	-174.1	134.1	5.6	111.1	P144 Q202 H203 S204 Y208	P144-R206 HydrophobicContact CB-CB 3.72Å; P144-R206 HydrophobicContact CB-CG 3.98Å; Q202-R206 CarbonylContact C-O 3.58Å; Q202-R206 VanDerWaalsContact CA-O 3.25Å; Q202-R206 WeakPolarHBondContact CA-O 3.17Å; Q202-R206 WeakPolarHBondContact CG-O 3.34Å; H203-R206 PolarHBondContact N-O 2.97Å; H203-R206 PolarHBondContact O-N 2.71Å; S204-R206 PolarHBondContact O-N 2.83Å; R206-Y208 HydrophobicContact CB-CD2 4.45Å; R206-Y208 HydrophobicContact CB-CE2 3.76Å
207	I	95.7	Very high	95.2	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	138.7	171.3	-60	-61.9	0	0	0	109.3	P144 Y145 W161 I163 I173 F201 Q202 F209 Y229	P144-I207 CarbonylContact C-O 3.52Å; P144-I207 VanDerWaalsContact CA-O 3.29Å; P144-I207 WeakPolarHBondContact CA-O 3.37Å; Y145-I207 PolarHBondContact N-O 3.24Å; W161-I207 HydrophobicContact CB-CG1 3.89Å; W161-I207 HydrophobicContact CD2-CG2 4.2Å; W161-I207 HydrophobicContact CE3-CG2 4.01Å; W161-I207 HydrophobicContact CG-CG1 4.45Å; I163-I207 HydrophobicContact CG2-CD1 3.63Å; I163-I207 HydrophobicContact CG2-CG1 3.72Å; I173-I207 HydrophobicContact CD1-CG1 4.31Å; F201-I207 WeakPolarHBondContact O-CA 3.42Å; Q202-I207 HydrophobicContact CB-CD1 4.08Å; I207-F209 HydrophobicContact CG2-CD1 4.25Å; I207-F209 HydrophobicContact CG2-CE1 3.91Å; I207-Y229 HydrophobicContact CD1-CD2 4.15Å; I207-Y229 HydrophobicContact CD1-CE2 3.37Å
208	Y	97.2	Very high	95	Very high	31 Å²	31	37.5 Å²	37.5	12%	0.122	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	152.6	172.2	-63.9	-91.5	0	0	0	109.2	F95 I141 F142 P144 A200 F201 H203 R206	F95-Y208 HydrophobicContact CE1-CD1 4.42Å; F95-Y208 HydrophobicContact CE1-CE1 4.28Å; I141-Y208 HydrophobicContact CG2-CD1 3.99Å; I141-Y208 HydrophobicContact CG2-CG 4.19Å; F142-Y208 WeakPolarHBondContact O-CA 3.36Å; P144-Y208 HydrophobicContact CB-CD1 4.43Å; P144-Y208 HydrophobicContact CB-CE1 3.87Å; P144-Y208 HydrophobicContact CB-CE2 4.45Å; P144-Y208 HydrophobicContact CG-CE1 4.37Å; A200-Y208 WeakPolarHBondContact CA-O 3.37Å; F201-Y208 VanDerWaalsContact CD1-O 3.26Å; F201-Y208 WeakPolarHBondContact CD1-O 3.49Å; F201-Y208 HydrophobicContact CZ-CG 4.35Å; F201-Y208 PolarHBondContact N-O 3.25Å; F201-Y208 PolarHBondContact O-N 3.24Å; H203-Y208 HydrophobicContact CB-CD2 3.98Å; H203-Y208 HydrophobicContact CB-CE2 3.99Å; R206-Y208 HydrophobicContact CB-CD2 4.45Å; R206-Y208 HydrophobicContact CB-CE2 3.76Å
209	F	98.1	Very high	94.9	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	137.5	169.9	-56.7	-16.9	0	0	0	108.8	I141 F142 Y145 W161 M184 V187 L198 L199 A200 I207 V223	I141-F209 CarbonylContact C-O 3.5Å; I141-F209 WeakPolarHBondContact CA-O 3.41Å; F142-F209 HydrophobicContact CB-CB 4.39Å; F142-F209 PolarHBondContact N-O 3.44Å; F142-F209 PolarHBondContact O-N 2.97Å; Y145-F209 HydrophobicContact CD2-CZ 4Å; Y145-F209 HydrophobicContact CE2-CZ 4.42Å; W161-F209 AromaticContact CH2-CE1 3.78Å; W161-F209 HydrophobicContact CH2-CE1 3.78Å; W161-F209 HydrophobicContact CH2-CZ 4.17Å; W161-F209 AromaticContact CZ2-CE1 3.62Å; W161-F209 HydrophobicContact CZ2-CE1 3.62Å; W161-F209 AromaticContact CZ2-CZ 3.58Å; W161-F209 HydrophobicContact CZ2-CZ 3.58Å; W161-F209 HydrophobicContact CZ3-CE1 4.31Å; M184-F209 HydrophobicContact CB-CE2 3.92Å; M184-F209 HydrophobicContact CB-CZ 4.43Å; M184-F209 HydrophobicContact CE-CB 3.99Å; M184-F209 HydrophobicContact CE-CD1 3.69Å; M184-F209 HydrophobicContact CE-CD2 3.38Å; M184-F209 HydrophobicContact CE-CE1 3.96Å; M184-F209 HydrophobicContact CE-CE2 3.66Å; M184-F209 HydrophobicContact CE-CG 3.39Å; M184-F209 HydrophobicContact CE-CZ 3.94Å; M184-F209 HydrophobicContact CG-CE2 4.41Å; V187-F209 HydrophobicContact CB-CE2 3.99Å; V187-F209 HydrophobicContact CG1-CD2 4.48Å; V187-F209 HydrophobicContact CG1-CE2 4.21Å; V187-F209 HydrophobicContact CG2-CE2 4.21Å; L198-F209 HydrophobicContact CB-CB 4.4Å; L198-F209 HydrophobicContact CD1-CB 4.43Å; L198-F209 HydrophobicContact CD1-CD2 4.27Å; L198-F209 HydrophobicContact CD2-CB 4.3Å; L199-F209 CarbonylContact O-C 3.52Å; L199-F209 WeakPolarHBondContact O-CA 3.46Å; A200-F209 HydrophobicContact CB-CD1 3.5Å; A200-F209 VanDerWaalsContact CB-CD1 3.5Å; A200-F209 HydrophobicContact CB-CE1 3.63Å; I207-F209 HydrophobicContact CG2-CD1 4.25Å; I207-F209 HydrophobicContact CG2-CE1 3.91Å; F209-V223 HydrophobicContact CD1-CG2 3.9Å; F209-V223 HydrophobicContact CD2-CG2 4.15Å; F209-V223 HydrophobicContact CE1-CG2 4.09Å; F209-V223 HydrophobicContact CE2-CG1 4.4Å; F209-V223 HydrophobicContact CE2-CG2 4.32Å; F209-V223 HydrophobicContact CG-CG2 3.94Å; F209-V223 HydrophobicContact CZ-CG1 4.36Å; F209-V223 HydrophobicContact CZ-CG2 4.3Å
210	R	97.3	Very high	94.8	Very high	18 Å²	18	43.6 Å²	43.6	7%	0.068	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	142.8	175	72.8	-167.8	-164.7	177.7	10.5	111.3	F75 E77 H140 I141 L198 L199 F201 C212	F75-R210 VanDerWaalsContact CB-NH1 3.35Å; F75-R210 VanDerWaalsContact CG-NH1 3.25Å; E77-R210 VanDerWaalsContact CD-CZ 3.45Å; E77-R210 HydrophobicContact CG-CG 4.36Å; E77-R210 IonicContact OE1-CZ 3.02Å; E77-R210 IonicContact OE1-NE 3.15Å; E77-R210 PolarHBondContact OE1-NE 2.79Å; E77-R210 IonicContact OE1-NH2 3.49Å; E77-R210 PolarHBondContact OE1-NH2 3.37Å; E77-R210 IonicContact OE2-CZ 3.56Å; E77-R210 IonicContact OE2-NH2 3.51Å; E77-R210 PolarHBondContact OE2-NH2 3.05Å; H140-R210 CarbonylContact O-C 3.49Å; H140-R210 VanDerWaalsContact O-CA 3.29Å; H140-R210 WeakPolarHBondContact O-CA 3.28Å; I141-R210 HydrophobicContact CG1-CB 4.25Å; L198-R210 CarbonylContact C-O 3.59Å; L198-R210 VanDerWaalsContact CA-O 3.3Å; L198-R210 WeakPolarHBondContact CA-O 3.48Å; L199-R210 HydrophobicContact CB-CG 4.16Å; L199-R210 PolarHBondContact N-O 3.08Å; L199-R210 PolarHBondContact O-N 3.42Å; F201-R210 HydrophobicContact CD1-CB 4.4Å; F201-R210 HydrophobicContact CD1-CG 4.34Å; F201-R210 HydrophobicContact CE1-CB 3.89Å; F201-R210 HydrophobicContact CE1-CG 4.29Å; R210-C212 PolarHBondContact O-N 2.85Å
211	A	97.3	Very high	94.9	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	110.6	174.6	0	0	0	0	0	110.8	I136 G139 H140 N197 L198 R213 I215	I136-A211 HydrophobicContact CG2-CB 4.28Å; G139-A211 PolarHBondContact N-O 3.15Å; H140-A211 PolarHBondContact O-N 3.06Å; N197-A211 WeakPolarHBondContact O-CA 3.41Å; L198-A211 HydrophobicContact CD2-CB 4.46Å; A211-R213 VanDerWaalsContact C-N 3.3Å; A211-I215 HydrophobicContact CB-CD1 4.38Å
212	C	94.9	Very high	95	Very high	29 Å²	29	44.1 Å²	44.1	20%	0.196	22%	0.215	C	C	.	.	S	Bend	trans	-80.6	-14.8	179.4	63.1	0	0	0	0	113.2	E77 K138 N197 L199 R210	E77-C212 WeakPolarHBondContact OE1-CA 3.46Å; E77-C212 VanDerWaalsContact OE1-CB 3.25Å; E77-C212 WeakPolarHBondContact OE1-CB 3.49Å; K138-C212 WeakPolarHBondContact CD-O 3.41Å; K138-C212 WeakPolarHBondContact CE-O 3.31Å; N197-C212 PolarHBondContact O-N 3.47Å; N197-C212 PolarHBondContact O-SG 3.36Å; L199-C212 HydrophobicContact CD1-CB 3.89Å; L199-C212 HydrophobicContact CG-CB 4.03Å; R210-C212 PolarHBondContact O-N 2.85Å
213	R	95.8	Very high	95.2	Very high	88 Å²	88	43.7 Å²	43.7	33%	0.332	21%	0.213	S	C	.	.	S	Bend	trans	-145.5	169.1	170.5	52.9	165	157.7	162.9	-13.6	109.9	R194 E195 Q196 N197 A211	R194-R213 PolarHBondContact O-NH2 3.14Å; E195-R213 VanDerWaalsContact C-NH2 3.34Å; E195-R213 PolarHBondContact O-NH2 2.91Å; Q196-R213 VanDerWaalsContact O-CZ 3.31Å; Q196-R213 PolarHBondContact O-NE 3.31Å; Q196-R213 PolarHBondContact O-NH2 2.96Å; N197-R213 HydrophobicContact CB-CG 4.03Å; A211-R213 VanDerWaalsContact C-N 3.3Å
214	D	96.7	Very high	95.3	Very high	83 Å²	83	45.6 Å²	45.6	44%	0.444	22%	0.219	S	C	.	.			trans	-61.3	135.8	168.8	-57.1	-27.2	0	0	0	109.9	V135 I136 P137 K138	V135-D214 HydrophobicContact CG1-CB 3.9Å; I136-D214 CarbonylContact O-C 3.55Å; I136-D214 VanDerWaalsContact O-CA 3.3Å; I136-D214 WeakPolarHBondContact O-CA 3.14Å; P137-D214 WeakPolarHBondContact CA-OD1 3.48Å; K138-D214 WeakPolarHBondContact CB-OD1 3.27Å; K138-D214 PolarHBondContact N-OD1 3.19Å
215	I	97.3	Very high	95.4	Very high	0 Å²	0	46 Å²	46	0%	0	21%	0.211	C	C	.	.	B	Isolated β-bridge	trans	-111	123.8	177.7	-39.5	-175.7	0	0	0	108.4	C131 V135 I136 N197 L198 A211 E219	C131-I215 HydrophobicContact CB-CG2 3.93Å; V135-I215 CarbonylContact C-O 3.59Å; V135-I215 WeakPolarHBondContact CA-O 3.37Å; V135-I215 WeakPolarHBondContact CG1-O 3.38Å; I136-I215 HydrophobicContact CB-CB 4.09Å; I136-I215 HydrophobicContact CB-CG1 4.34Å; I136-I215 HydrophobicContact CD1-CB 4.25Å; I136-I215 HydrophobicContact CD1-CD1 4.45Å; I136-I215 HydrophobicContact CG2-CD1 4.49Å; I136-I215 HydrophobicContact CG2-CG1 4.47Å; I136-I215 PolarHBondContact N-O 3.06Å; I136-I215 PolarHBondContact O-N 2.86Å; N197-I215 HydrophobicContact CB-CD1 4.03Å; N197-I215 HydrophobicContact CB-CG1 4.05Å; L198-I215 HydrophobicContact CD2-CD1 4.11Å; L198-I215 HydrophobicContact CG-CD1 4.26Å; A211-I215 HydrophobicContact CB-CD1 4.38Å; I215-E219 WeakPolarHBondContact CA-OE2 3.43Å; I215-E219 HydrophobicContact CG2-CB 3.93Å
216	R	95.3	Very high	95.5	Very high	162 Å²	162	44 Å²	44	61%	0.611	20%	0.202	S	C	*	.			trans	-93.2	151.6	-172.6	-62.1	178.8	173.6	-123.3	-6.5	112.3	C131 V135 G218 E219	C131-R216 WeakPolarHBondContact CB-O 3.44Å; C131-R216 VanDerWaalsContact SG-C 3.53Å; V135-R216 HydrophobicContact CG2-CG 4.49Å; R216-G218 PolarHBondContact O-N 3.06Å; R216-E219 HydrophobicContact CB-CG 4.07Å; R216-E219 PolarHBondContact N-OE2 3.3Å; R216-E219 VanDerWaalsContact O-CB 3.31Å; R216-E219 WeakPolarHBondContact O-CB 3.47Å; R216-E219 PolarHBondContact O-N 3.36Å
217	P	95.8	Very high	95.1	Very high	61 Å²	61	46 Å²	46	40%	0.396	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.2	125.6	172.3	-28.9	36.2	0	0	0	112.1	N133	N133-P217 WeakPolarHBondContact O-CG 3.11Å
218	G	91.5	Very high	94.6	Very high	46 Å²	46	48.1 Å²	48.1	47%	0.474	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	94.2	-12.2	-174.3	0	0	0	0	0	115.3	C131 R216	C131-G218 PolarHBondContact O-N 2.76Å; R216-G218 PolarHBondContact O-N 3.06Å
219	E	95.7	Very high	94	Very high	61 Å²	61	46.8 Å²	46.8	29%	0.285	22%	0.222	S	C	.	.	P	Polyproline II helix	trans	-77.6	136.9	173.4	-67.1	-177.6	157.4	0	0	111.6	R130 C131 I215 R216	R130-E219 WeakPolarHBondContact CA-O 3.33Å; R130-E219 WeakPolarHBondContact CB-O 3.15Å; C131-E219 PolarHBondContact N-O 3.02Å; I215-E219 WeakPolarHBondContact CA-OE2 3.43Å; I215-E219 HydrophobicContact CG2-CB 3.93Å; R216-E219 HydrophobicContact CB-CG 4.07Å; R216-E219 PolarHBondContact N-OE2 3.3Å; R216-E219 VanDerWaalsContact O-CB 3.31Å; R216-E219 WeakPolarHBondContact O-CB 3.47Å; R216-E219 PolarHBondContact O-N 3.36Å
220	W	96.5	Very high	93.4	Very high	97 Å²	97	49.4 Å²	49.4	37%	0.367	23%	0.234	S	C	.	.	B	Isolated β-bridge	trans	-77.3	143.9	175.5	-59	101.3	0	0	0	111.3	V120 D128 V129 R130 N197	V120-W220 HydrophobicContact CB-CH2 3.91Å; V120-W220 HydrophobicContact CB-CZ3 3.89Å; V120-W220 HydrophobicContact CG1-CH2 4.15Å; V120-W220 HydrophobicContact CG2-CH2 3.94Å; V120-W220 HydrophobicContact CG2-CZ3 3.92Å; D128-W220 HydrophobicContact CB-CE3 3.85Å; D128-W220 HydrophobicContact CB-CZ3 3.8Å; D128-W220 VanDerWaalsContact CG-CE3 3.43Å; V129-W220 CarbonylContact O-C 3.59Å; V129-W220 WeakPolarHBondContact O-CA 3.29Å; R130-W220 HydrophobicContact CB-CD2 4.21Å; R130-W220 HydrophobicContact CB-CE3 3.76Å; R130-W220 HydrophobicContact CB-CZ3 4.05Å; R130-W220 HydrophobicContact CG-CE3 4.48Å; R130-W220 HydrophobicContact CG-CZ3 4.27Å; N197-W220 PolarHBondContact ND2-O 3.21Å
221	L	97.2	Very high	92.5	Very high	0 Å²	0	53 Å²	53	0%	0	25%	0.25	C	S	.	.	P	Polyproline II helix	trans	-80	128.2	177.7	-83.6	61.9	0	0	0	109.8	M117 V129 C131 W183 V187 L198	M117-L221 HydrophobicContact CE-CD2 3.73Å; M117-L221 HydrophobicContact SD-CD2 3.94Å; V129-L221 HydrophobicContact CB-CB 4.39Å; V129-L221 HydrophobicContact CB-CD2 4.28Å; V129-L221 HydrophobicContact CG1-CD1 4.47Å; V129-L221 HydrophobicContact CG1-CD2 3.88Å; V129-L221 PolarHBondContact O-N 3.47Å; C131-L221 HydrophobicContact CB-CD1 4.46Å; W183-L221 HydrophobicContact CH2-CD2 4.18Å; W183-L221 HydrophobicContact CZ3-CD2 3.74Å; V187-L221 HydrophobicContact CG1-CB 3.95Å; V187-L221 HydrophobicContact CG2-CB 4.36Å; V187-L221 HydrophobicContact CG2-CD2 4.13Å; L198-L221 HydrophobicContact CD1-CB 3.93Å; L198-L221 HydrophobicContact CD1-CD2 3.79Å; L198-L221 HydrophobicContact CD1-CG 3.84Å
222	R	97.1	Very high	91.7	Very high	29 Å²	29	55.9 Å²	55.9	11%	0.109	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	108.9	-176.1	-65.7	-67.2	177.5	-100.2	8.2	108.8	D128 V188 E195 N197 L198	D128-R222 VanDerWaalsContact CG-NH1 3.27Å; D128-R222 IonicContact OD1-CZ 3.75Å; D128-R222 IonicContact OD1-NH1 2.68Å; D128-R222 PolarHBondContact OD1-NH1 2.9Å; D128-R222 IonicContact OD1-NH2 3.5Å; D128-R222 IonicContact OD2-CZ 2.69Å; D128-R222 VanDerWaalsContact OD2-CZ 3.3Å; D128-R222 IonicContact OD2-NH1 3.44Å; D128-R222 PolarHBondContact OD2-NH1 2.67Å; D128-R222 IonicContact OD2-NH2 2.71Å; D128-R222 PolarHBondContact OD2-NH2 2.91Å; V188-R222 WeakPolarHBondContact O-CA 3.36Å; E195-R222 HydrophobicContact CB-CG 4.13Å; E195-R222 HydrophobicContact CG-CB 4.19Å; E195-R222 HydrophobicContact CG-CG 3.84Å; E195-R222 WeakPolarHBondContact O-CB 3.13Å; E195-R222 VanDerWaalsContact OE2-CD 3.28Å; E195-R222 WeakPolarHBondContact OE2-CD 3.43Å; E195-R222 IonicContact OE2-NE 2.68Å; E195-R222 PolarHBondContact OE2-NE 3.26Å; N197-R222 PolarHBondContact N-O 3.08Å; N197-R222 PolarHBondContact OD1-N 2.63Å; N197-R222 PolarHBondContact OD1-O 2.93Å; L198-R222 PolarHBondContact N-O 3.34Å
223	V	96.4	Very high	90.7	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	142.5	-175.9	73.4	0	0	0	0	111.7	W161 V187 V188 I189 S190 L198 A200 F209	W161-V223 HydrophobicContact CH2-CG1 4.38Å; W161-V223 HydrophobicContact CZ2-CG1 4.36Å; V187-V223 HydrophobicContact CG1-CB 3.82Å; V187-V223 HydrophobicContact CG1-CG1 3.8Å; V188-V223 PolarHBondContact O-N 3.15Å; I189-V223 CarbonylContact C-O 3.45Å; I189-V223 VanDerWaalsContact CA-O 3.3Å; I189-V223 WeakPolarHBondContact CA-O 3.21Å; I189-V223 HydrophobicContact CB-CG1 4.41Å; I189-V223 HydrophobicContact CG1-CG1 3.86Å; S190-V223 PolarHBondContact N-O 2.82Å; L198-V223 HydrophobicContact CB-CB 3.95Å; L198-V223 HydrophobicContact CB-CG2 3.88Å; L198-V223 WeakPolarHBondContact O-CA 3.49Å; A200-V223 HydrophobicContact CB-CG2 3.77Å; F209-V223 HydrophobicContact CD1-CG2 3.9Å; F209-V223 HydrophobicContact CD2-CG2 4.15Å; F209-V223 HydrophobicContact CE1-CG2 4.09Å; F209-V223 HydrophobicContact CE2-CG1 4.4Å; F209-V223 HydrophobicContact CE2-CG2 4.32Å; F209-V223 HydrophobicContact CG-CG2 3.94Å; F209-V223 HydrophobicContact CZ-CG1 4.36Å; F209-V223 HydrophobicContact CZ-CG2 4.3Å
224	W	94.3	Very high	89.3	Confident	59 Å²	59	57.2 Å²	57.2	22%	0.223	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	169.1	164.3	-168.5	-118.2	0	0	0	111.1	I189 R191 Q196 L198 L199 A200	I189-W224 HydrophobicContact CG2-CE3 3.65Å; I189-W224 HydrophobicContact CG2-CZ3 3.7Å; R191-W224 HydrophobicContact CG-CE3 4.22Å; R191-W224 HydrophobicContact CG-CH2 3.6Å; R191-W224 HydrophobicContact CG-CZ2 4.29Å; R191-W224 HydrophobicContact CG-CZ3 3.54Å; Q196-W224 HydrophobicContact CG-CB 3.92Å; Q196-W224 VanDerWaalsContact NE2-CB 3.31Å; Q196-W224 VanDerWaalsContact NE2-CG 3.34Å; L198-W224 PolarHBondContact O-N 2.92Å; L199-W224 CarbonylContact C-O 3.57Å; L199-W224 WeakPolarHBondContact CA-O 3.46Å; L199-W224 HydrophobicContact CD2-CB 4.38Å; A200-W224 PolarHBondContact N-O 2.96Å
225	Y	91.6	Very high	87.5	Confident	71 Å²	71	56 Å²	56	28%	0.278	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	131.9	-179.8	-51.7	-61.4	0	0	0	110.6	W161 Y229 M230	W161-Y225 HydrophobicContact CE3-CE1 4.2Å; W161-Y225 HydrophobicContact CH2-CD1 4.13Å; W161-Y225 AromaticContact CH2-CE1 3.82Å; W161-Y225 HydrophobicContact CH2-CE1 3.82Å; W161-Y225 AromaticContact CZ3-CD1 3.62Å; W161-Y225 HydrophobicContact CZ3-CD1 3.62Å; W161-Y225 AromaticContact CZ3-CE1 3.48Å; W161-Y225 HydrophobicContact CZ3-CE1 3.48Å; W161-Y225 VanDerWaalsContact CZ3-CE1 3.48Å; Y225-Y229 AromaticContact CD1-CD1 3.79Å; Y225-Y229 HydrophobicContact CD1-CD1 3.79Å; Y225-Y229 AromaticContact CD1-CE1 3.65Å; Y225-Y229 HydrophobicContact CD1-CE1 3.65Å; Y225-Y229 HydrophobicContact CE1-CE1 4.2Å; Y225-Y229 HydrophobicContact CG-CD1 4.37Å; Y225-M230 HydrophobicContact CG-CG 4.35Å
226	S	90.9	Very high	85.4	Confident	2 Å²	2	56.3 Å²	56.3	1%	0.014	27%	0.268	C	S	.	.			trans	-66	152.7	169.2	87.6	0	0	0	0	110.4	A200 F201 D228 Y229 M230	A200-S226 WeakPolarHBondContact O-CB 3.06Å; A200-S226 PolarHBondContact O-N 3.36Å; A200-S226 PolarHBondContact O-OG 3.07Å; F201-S226 WeakPolarHBondContact CB-OG 3.39Å; S226-D228 PolarHBondContact O-N 3.13Å; S226-Y229 PolarHBondContact O-N 3.42Å; S226-Y229 WeakPolarHBondContact OG-CB 3.4Å; S226-Y229 PolarHBondContact OG-N 3.25Å; S226-Y229 VanDerWaalsContact OG-N 3.13Å; S226-M230 PolarHBondContact O-N 2.89Å
227	E	85.2	Confident	83.2	Confident	128 Å²	128	50 Å²	50	60%	0.598	25%	0.249	S	C	*	.	H	α-helix	trans	-58.4	-36	180	-145.4	-149.3	149.8	0	0	111.3	M230 K231	E227-M230 PolarHBondContact O-N 2.78Å; E227-K231 WeakPolarHBondContact O-CG 3.39Å; E227-K231 PolarHBondContact O-N 3Å; E227-K231 WeakPolarHBondContact OE1-CE 3.41Å; E227-K231 IonicContact OE1-NZ 3.95Å; E227-K231 PolarHBondContact OE1-NZ 3.45Å; E227-K231 WeakPolarHBondContact OE2-CE 3.48Å; E227-K231 IonicContact OE2-NZ 2.71Å; E227-K231 PolarHBondContact OE2-NZ 3.1Å
228	D	84.2	Confident	80.4	Confident	45 Å²	45	52.4 Å²	52.4	24%	0.241	26%	0.255	C	S	.	.	H	α-helix	trans	-78.1	-29	-177.9	-46.9	-52.6	0	0	0	113.1	Y82 S226 K231 R232	Y82-D228 PolarHBondContact OH-OD1 3.46Å; Y82-D228 PolarHBondContact OH-OD2 2.91Å; S226-D228 PolarHBondContact O-N 3.13Å; D228-K231 IonicContact OD1-NZ 3.86Å; D228-K231 PolarHBondContact OD1-NZ 3.39Å; D228-R232 VanDerWaalsContact O-CB 3.23Å; D228-R232 WeakPolarHBondContact O-CB 3.47Å; D228-R232 PolarHBondContact O-N 3.32Å
229	Y	85.6	Confident	77.8	Confident	4 Å²	4	55.4 Å²	55.4	2%	0.016	26%	0.257	C	S	.	.	H	α-helix	trans	-68.1	-44.6	169.6	-176.4	-127	0	0	0	110.8	W161 L162 A200 Q202 I207 Y225 S226 R232 L233	W161-Y229 AromaticContact CE3-CE1 3.74Å; W161-Y229 HydrophobicContact CE3-CE1 3.74Å; W161-Y229 AromaticContact CE3-CZ 3.99Å; W161-Y229 AromaticContact CZ3-CE1 3.79Å; W161-Y229 HydrophobicContact CZ3-CE1 3.79Å; L162-Y229 PolarHBondContact N-OH 3.42Å; L162-Y229 VanDerWaalsContact O-CE2 3.28Å; L162-Y229 WeakPolarHBondContact O-CE2 3.4Å; L162-Y229 PolarHBondContact O-OH 2.94Å; A200-Y229 WeakPolarHBondContact O-CB 3.33Å; Q202-Y229 HydrophobicContact CB-CD2 3.91Å; Q202-Y229 HydrophobicContact CB-CE2 4.2Å; I207-Y229 HydrophobicContact CD1-CD2 4.15Å; I207-Y229 HydrophobicContact CD1-CE2 3.37Å; Y225-Y229 AromaticContact CD1-CD1 3.79Å; Y225-Y229 HydrophobicContact CD1-CD1 3.79Å; Y225-Y229 AromaticContact CD1-CE1 3.65Å; Y225-Y229 HydrophobicContact CD1-CE1 3.65Å; Y225-Y229 HydrophobicContact CE1-CE1 4.2Å; Y225-Y229 HydrophobicContact CG-CD1 4.37Å; S226-Y229 PolarHBondContact O-N 3.42Å; S226-Y229 WeakPolarHBondContact OG-CB 3.4Å; S226-Y229 PolarHBondContact OG-N 3.25Å; S226-Y229 VanDerWaalsContact OG-N 3.13Å; Y229-R232 PolarHBondContact O-N 3.09Å; Y229-L233 HydrophobicContact CD1-CD1 4.33Å; Y229-L233 HydrophobicContact CD2-CD1 4.47Å; Y229-L233 HydrophobicContact CD2-CG 4.28Å; Y229-L233 HydrophobicContact CE1-CD1 3.82Å; Y229-L233 HydrophobicContact CE2-CD1 3.97Å; Y229-L233 HydrophobicContact CE2-CD2 4.11Å; Y229-L233 HydrophobicContact CE2-CG 3.95Å; Y229-L233 WeakPolarHBondContact O-CB 3.33Å; Y229-L233 WeakPolarHBondContact O-CG 3.35Å; Y229-L233 PolarHBondContact O-N 3.33Å
230	M	84	Confident	75.2	Confident	54 Å²	54	52.9 Å²	52.9	27%	0.266	25%	0.245	S	C	.	.	H	α-helix	trans	-59.9	-46.1	171.4	-68	-170.5	-73.5	0	0	111.4	Y225 S226 E227 R232 L233 H234	Y225-M230 HydrophobicContact CG-CG 4.35Å; S226-M230 PolarHBondContact O-N 2.89Å; E227-M230 PolarHBondContact O-N 2.78Å; M230-R232 PolarHBondContact O-N 3.2Å; M230-L233 PolarHBondContact O-N 3.29Å; M230-H234 WeakPolarHBondContact O-CB 3.48Å; M230-H234 VanDerWaalsContact O-CG 3.24Å; M230-H234 PolarHBondContact O-N 2.87Å; M230-H234 PolarHBondContact O-ND1 3.02Å
231	K	78.9	Confident	72.4	Confident	93 Å²	93	53 Å²	53	40%	0.404	25%	0.252	S	S	.	.	H	α-helix	trans	-58.4	-46.1	175.1	-70.5	163.6	-153.6	158.4	0	111.8	E227 D228 H234 S235	E227-K231 WeakPolarHBondContact O-CG 3.39Å; E227-K231 PolarHBondContact O-N 3Å; E227-K231 WeakPolarHBondContact OE1-CE 3.41Å; E227-K231 IonicContact OE1-NZ 3.95Å; E227-K231 PolarHBondContact OE1-NZ 3.45Å; E227-K231 WeakPolarHBondContact OE2-CE 3.48Å; E227-K231 IonicContact OE2-NZ 2.71Å; E227-K231 PolarHBondContact OE2-NZ 3.1Å; D228-K231 IonicContact OD1-NZ 3.86Å; D228-K231 PolarHBondContact OD1-NZ 3.39Å; K231-H234 PolarHBondContact O-N 3.5Å; K231-S235 WeakPolarHBondContact O-CB 3.15Å; K231-S235 PolarHBondContact O-N 2.84Å
232	R	81.5	Confident	69.4	Low	62 Å²	62	60.4 Å²	60.4	23%	0.234	29%	0.287	C	S	.	.	H	α-helix	trans	-63	-42.7	179.2	-171.4	-176.1	-63.8	-126.2	3.2	111.8	D72 V164 Q202 D228 Y229 M230	D72-R232 IonicContact OD1-CZ 3.78Å; D72-R232 IonicContact OD1-NH1 3.3Å; D72-R232 PolarHBondContact OD1-NH1 2.92Å; D72-R232 IonicContact OD1-NH2 3.54Å; D72-R232 PolarHBondContact OD1-NH2 2.69Å; D72-R232 IonicContact OD2-NH1 2.71Å; V164-R232 HydrophobicContact CB-CG 4.32Å; V164-R232 HydrophobicContact CG2-CG 4.03Å; Q202-R232 VanDerWaalsContact CD-CD 3.49Å; D228-R232 VanDerWaalsContact O-CB 3.23Å; D228-R232 WeakPolarHBondContact O-CB 3.47Å; D228-R232 PolarHBondContact O-N 3.32Å; Y229-R232 PolarHBondContact O-N 3.09Å; M230-R232 PolarHBondContact O-N 3.2Å
233	L	73.8	Confident	66.4	Low	26 Å²	26	65.8 Å²	65.8	14%	0.136	31%	0.307	C	S	.	.	H	α-helix	trans	-67.2	-48.8	175.4	-69.4	-176.6	0	0	0	111.7	L162 V164 Y170 Y229 M230 S235 M236 S237	L162-L233 HydrophobicContact CB-CD1 4.32Å; L162-L233 HydrophobicContact CB-CD2 3.55Å; L162-L233 HydrophobicContact CD1-CD2 4.45Å; V164-L233 HydrophobicContact CG2-CD2 4.49Å; Y170-L233 HydrophobicContact CD1-CD2 4.46Å; Y170-L233 HydrophobicContact CE1-CD2 3.85Å; Y170-L233 PolarHBondContact OH-O 3.04Å; Y229-L233 HydrophobicContact CD1-CD1 4.33Å; Y229-L233 HydrophobicContact CD2-CD1 4.47Å; Y229-L233 HydrophobicContact CD2-CG 4.28Å; Y229-L233 HydrophobicContact CE1-CD1 3.82Å; Y229-L233 HydrophobicContact CE2-CD1 3.97Å; Y229-L233 HydrophobicContact CE2-CD2 4.11Å; Y229-L233 HydrophobicContact CE2-CG 3.95Å; Y229-L233 WeakPolarHBondContact O-CB 3.33Å; Y229-L233 WeakPolarHBondContact O-CG 3.35Å; Y229-L233 PolarHBondContact O-N 3.33Å; M230-L233 PolarHBondContact O-N 3.29Å; L233-S235 VanDerWaalsContact C-N 3.31Å; L233-S235 PolarHBondContact O-N 3.25Å; L233-M236 PolarHBondContact O-N 2.84Å; L233-S237 PolarHBondContact O-N 2.83Å; L233-S237 VanDerWaalsContact O-N 3.09Å
234	H	66.1	Low	63.4	Low	118 Å²	118	67.9 Å²	67.9	55%	0.546	32%	0.318	S	S	.	.	H	α-helix	trans	-66	-30.7	-178.7	-66.5	128.3	0	0	0	113.2	M230 K231 M236 S237	M230-H234 WeakPolarHBondContact O-CB 3.48Å; M230-H234 VanDerWaalsContact O-CG 3.24Å; M230-H234 PolarHBondContact O-N 2.87Å; M230-H234 PolarHBondContact O-ND1 3.02Å; K231-H234 PolarHBondContact O-N 3.5Å; H234-M236 PolarHBondContact O-N 2.89Å; H234-S237 PolarHBondContact O-N 3.3Å; H234-S237 PolarHBondContact O-OG 3.42Å
235	S	58.2	Low	60.5	Low	57 Å²	57	69.1 Å²	69.1	40%	0.399	33%	0.329	S	S	.	.	H	α-helix	trans	-61.6	-26.6	172.3	-166.5	0	0	0	0	112.9	K231 L233	K231-S235 WeakPolarHBondContact O-CB 3.15Å; K231-S235 PolarHBondContact O-N 2.84Å; L233-S235 VanDerWaalsContact C-N 3.31Å; L233-S235 PolarHBondContact O-N 3.25Å
236	M	54.2	Low	57.7	Low	7 Å²	7	70 Å²	70	3%	0.034	35%	0.351	C	S	.	.	H	α-helix	trans	-99.7	-16.1	-179.9	-68.9	-52.5	-41.8	0	0	114.5	V164 N168 Y170 L233 H234 E239 T240	V164-M236 HydrophobicContact CB-CG 4.22Å; V164-M236 HydrophobicContact CG1-CG 3.6Å; V164-M236 HydrophobicContact CG1-SD 4.09Å; V164-M236 HydrophobicContact CG2-CB 4.15Å; V164-M236 HydrophobicContact CG2-CG 3.52Å; N168-M236 HydrophobicContact CB-CE 3.78Å; N168-M236 HydrophobicContact CB-SD 3.78Å; N168-M236 WeakPolarHBondContact O-CE 3.3Å; Y170-M236 HydrophobicContact CE1-CB 3.76Å; Y170-M236 HydrophobicContact CE2-CB 4.18Å; Y170-M236 VanDerWaalsContact OH-C 3.27Å; L233-M236 PolarHBondContact O-N 2.84Å; H234-M236 PolarHBondContact O-N 2.89Å; M236-E239 HydrophobicContact CE-CB 4.22Å; M236-E239 WeakPolarHBondContact CE-OE2 3.34Å; M236-E239 PolarHBondContact O-N 3.24Å; M236-T240 WeakPolarHBondContact O-CB 3.31Å; M236-T240 PolarHBondContact O-N 2.77Å; M236-T240 PolarHBondContact O-OG1 3.19Å; M236-T240 VanDerWaalsContact O-OG1 3.08Å
237	S	47.9	Very low	54.9	Low	30 Å²	30	79.9 Å²	79.9	21%	0.21	39%	0.388	C	S	.	.	H	α-helix	trans	-74.1	-39.6	-176.9	64.4	0	0	0	0	110.2	Y170 L233 H234 E239 T240 I241	Y170-S237 WeakPolarHBondContact OH-CA 3.45Å; Y170-S237 VanDerWaalsContact OH-CB 3.31Å; Y170-S237 WeakPolarHBondContact OH-CB 3.42Å; Y170-S237 PolarHBondContact OH-N 3.08Å; L233-S237 PolarHBondContact O-N 2.83Å; L233-S237 VanDerWaalsContact O-N 3.09Å; H234-S237 PolarHBondContact O-N 3.3Å; H234-S237 PolarHBondContact O-OG 3.42Å; S237-E239 VanDerWaalsContact C-N 3.31Å; S237-E239 PolarHBondContact O-N 3.13Å; S237-T240 PolarHBondContact O-N 2.66Å; S237-I241 VanDerWaalsContact O-CB 3.23Å; S237-I241 WeakPolarHBondContact O-CB 3.5Å; S237-I241 WeakPolarHBondContact O-CD1 3.27Å; S237-I241 WeakPolarHBondContact O-CG1 3.21Å; S237-I241 PolarHBondContact O-N 3.27Å
238	Q	37.4	Very low	52.4	Low	112 Å²	112	75.5 Å²	75.5	52%	0.523	38%	0.376	S	S	.	.	H	α-helix	trans	-56	-43.9	172.6	-63.3	-171.6	-34.1	0	0	111.8	C411	Q238-C411 PolarHBondContact OE1-SG 3.43Å; Q238-C411 VanDerWaalsContact OE1-SG 3.35Å
239	E	37.8	Very low	49.9	Very low	109 Å²	109	79.7 Å²	79.7	51%	0.509	40%	0.395	S	S	.	.	H	α-helix	trans	-73.8	-36.9	179.1	-60.6	-173.9	170.4	0	0	113.3	M236 S237	M236-E239 HydrophobicContact CE-CB 4.22Å; M236-E239 WeakPolarHBondContact CE-OE2 3.34Å; M236-E239 PolarHBondContact O-N 3.24Å; S237-E239 VanDerWaalsContact C-N 3.31Å; S237-E239 PolarHBondContact O-N 3.13Å
240	T	39.8	Very low	47.5	Very low	7 Å²	7	88.7 Å²	88.7	4%	0.043	43%	0.434	C	S	.	.	H	α-helix	trans	-83.2	-32	-176.4	-57.4	0	0	0	0	113.1	Y170 M236 S237 H242 R243 N244	Y170-T240 HydrophobicContact CD2-CG2 3.95Å; Y170-T240 HydrophobicContact CE2-CG2 4.21Å; M236-T240 WeakPolarHBondContact O-CB 3.31Å; M236-T240 PolarHBondContact O-N 2.77Å; M236-T240 PolarHBondContact O-OG1 3.19Å; M236-T240 VanDerWaalsContact O-OG1 3.08Å; S237-T240 PolarHBondContact O-N 2.66Å; T240-H242 VanDerWaalsContact C-N 3.31Å; T240-H242 PolarHBondContact O-N 3.36Å; T240-R243 PolarHBondContact O-N 2.95Å; T240-R243 VanDerWaalsContact O-N 3.1Å; T240-N244 WeakPolarHBondContact CG2-ND2 3.37Å; T240-N244 WeakPolarHBondContact O-CB 3.31Å; T240-N244 PolarHBondContact O-N 3.04Å
241	I	37.8	Very low	45	Very low	99 Å²	99	94.2 Å²	94.2	51%	0.508	45%	0.452	S	S	.	.	H	α-helix	trans	-59.7	-44.2	173.5	-72.4	166.4	0	0	0	110	S237 R243 N244 L245	S237-I241 VanDerWaalsContact O-CB 3.23Å; S237-I241 WeakPolarHBondContact O-CB 3.5Å; S237-I241 WeakPolarHBondContact O-CD1 3.27Å; S237-I241 WeakPolarHBondContact O-CG1 3.21Å; S237-I241 PolarHBondContact O-N 3.27Å; I241-R243 PolarHBondContact O-N 3.02Å; I241-R243 VanDerWaalsContact O-N 3.16Å; I241-N244 PolarHBondContact O-N 2.97Å; I241-L245 HydrophobicContact CG2-CD1 3.75Å; I241-L245 HydrophobicContact CG2-CG 4.22Å; I241-L245 WeakPolarHBondContact O-CG 3.1Å; I241-L245 PolarHBondContact O-N 3.42Å; I241-L245 VanDerWaalsContact O-N 3.1Å
242	H	34.2	Very low	42.6	Very low	157 Å²	157	95.8 Å²	95.8	73%	0.727	46%	0.464	S	S	*	.	H	α-helix	trans	-53.4	-34.6	174.5	-117.3	-91.3	0	0	0	113.2	T240	T240-H242 VanDerWaalsContact C-N 3.31Å; T240-H242 PolarHBondContact O-N 3.36Å
243	R	34.6	Very low	40.5	Very low	141 Å²	141	101 Å²	101	53%	0.532	49%	0.491	S	S	.	.	H	α-helix	trans	-90.3	-30.7	-177.7	-165.9	-175.9	64.6	-146.4	-10.2	113.9	T240 I241	T240-R243 PolarHBondContact O-N 2.95Å; T240-R243 VanDerWaalsContact O-N 3.1Å; I241-R243 PolarHBondContact O-N 3.02Å; I241-R243 VanDerWaalsContact O-N 3.16Å
244	N	33.7	Very low	38.5	Very low	44 Å²	44	110.1 Å²	110.1	24%	0.235	52%	0.523	C	S	.	.	H	α-helix	trans	-90.2	-23.6	-173.9	-72.8	1.4	0	0	0	113.2	D153 T240 I241 A246 R247 G248	D153-N244 PolarHBondContact OD2-ND2 3.37Å; T240-N244 WeakPolarHBondContact CG2-ND2 3.37Å; T240-N244 WeakPolarHBondContact O-CB 3.31Å; T240-N244 PolarHBondContact O-N 3.04Å; I241-N244 PolarHBondContact O-N 2.97Å; N244-A246 VanDerWaalsContact C-N 3.3Å; N244-A246 PolarHBondContact O-N 3.49Å; N244-R247 PolarHBondContact O-N 2.89Å; N244-G248 PolarHBondContact O-N 3.08Å; N244-G248 VanDerWaalsContact O-N 3.14Å
245	L	32.3	Very low	36.7	Very low	86 Å²	86	111.7 Å²	111.7	45%	0.45	53%	0.531	S	S	.	.	H	α-helix	trans	-53.6	-47	168.6	-79.2	166	0	0	0	111.4	I241 R247 G248	I241-L245 HydrophobicContact CG2-CD1 3.75Å; I241-L245 HydrophobicContact CG2-CG 4.22Å; I241-L245 WeakPolarHBondContact O-CG 3.1Å; I241-L245 PolarHBondContact O-N 3.42Å; I241-L245 VanDerWaalsContact O-N 3.1Å; L245-R247 PolarHBondContact O-N 3.4Å; L245-G248 PolarHBondContact O-N 2.92Å
246	A	34.2	Very low	35.4	Very low	89 Å²	89	117.9 Å²	117.9	74%	0.736	55%	0.551	S	S	*	*	H	α-helix	trans	-65.3	5.6	177	0	0	0	0	0	115.5	N244	N244-A246 VanDerWaalsContact C-N 3.3Å; N244-A246 PolarHBondContact O-N 3.49Å
247	R	31.5	Very low	34.3	Very low	210 Å²	210	122.5 Å²	122.5	79%	0.792	58%	0.584	S	S	*	*	H	α-helix	trans	-134.5	-17.1	-177.2	-137	179.7	-167.9	-157.9	3.7	115.3	N244 L245	N244-R247 PolarHBondContact O-N 2.89Å; L245-R247 PolarHBondContact O-N 3.4Å
248	G	31.9	Very low	33.6	Very low	35 Å²	35	129 Å²	129	36%	0.361	61%	0.61	S	S	.	*	H	α-helix	trans	-70.9	-38	-173.3	0	0	0	0	0	115	N244 L245 K250 R251	N244-G248 PolarHBondContact O-N 3.08Å; N244-G248 VanDerWaalsContact O-N 3.14Å; L245-G248 PolarHBondContact O-N 2.92Å; G248-K250 PolarHBondContact O-N 3.33Å; G248-K250 VanDerWaalsContact O-N 3.09Å; G248-R251 PolarHBondContact O-N 3.06Å; G248-R251 VanDerWaalsContact O-N 3.16Å
249	E	32.9	Very low	33.1	Very low	134 Å²	134	132.2 Å²	132.2	63%	0.626	63%	0.626	S	S	*	*	H	α-helix	trans	-54.1	-36.3	-172.4	-55.8	-179.9	130.9	0	0	113.7	R251	E249-R251 PolarHBondContact O-N 3.43Å
250	K	34.4	Very low	32.7	Very low	192 Å²	192	132.8 Å²	132.8	84%	0.835	64%	0.637	S	S	*	*	H	α-helix	trans	-79	5.4	-173.4	-66.4	-179.6	179.7	171.5	0	114.4	G248	G248-K250 PolarHBondContact O-N 3.33Å; G248-K250 VanDerWaalsContact O-N 3.09Å
251	R	31.3	Very low	32.4	Very low	171 Å²	171	140.5 Å²	140.5	65%	0.645	68%	0.677	S	S	*	*	H	α-helix	trans	-119.4	-38.7	179.2	-134.9	176.3	-174.6	170.5	2.4	114.4	G248 E249 Q253 R254	G248-R251 PolarHBondContact O-N 3.06Å; G248-R251 VanDerWaalsContact O-N 3.16Å; E249-R251 PolarHBondContact O-N 3.43Å; R251-Q253 PolarHBondContact O-N 3.18Å; R251-Q253 VanDerWaalsContact O-N 3.16Å; R251-R254 PolarHBondContact O-N 3.26Å
252	L	30.1	Very low	31.9	Very low	126 Å²	126	142.3 Å²	142.3	66%	0.66	69%	0.687	S	S	*	*	H	α-helix	trans	-65	-17.9	-178.4	-81.5	162.1	0	0	0	114.4	R254	L252-R254 PolarHBondContact O-N 3.25Å
253	Q	36.1	Very low	31.5	Very low	171 Å²	171	142.1 Å²	142.1	80%	0.799	69%	0.691	S	S	*	*	H	α-helix	trans	-68.2	-13.3	171.5	-72.1	-174.1	-16.9	0	0	114.5	R251	R251-Q253 PolarHBondContact O-N 3.18Å; R251-Q253 VanDerWaalsContact O-N 3.16Å
254	R	31.8	Very low	31.6	Very low	217 Å²	217	140.5 Å²	140.5	82%	0.819	70%	0.699	S	S	*	*	H	α-helix	trans	-104.8	-27.3	-169	-164.5	168.6	-176.7	172.4	1.4	115.7	R251 L252	R251-R254 PolarHBondContact O-N 3.26Å; L252-R254 PolarHBondContact O-N 3.25Å
255	E	28.8	Very low	31.3	Very low	151 Å²	151	146.9 Å²	146.9	71%	0.706	73%	0.728	S	S	*	*	H	α-helix	trans	-100.1	-13.1	-172.2	-72.4	163.6	-176.9	0	0	113.2	S257	E255-S257 VanDerWaalsContact C-N 3.26Å; E255-S257 PolarHBondContact O-N 3.1Å
256	K	30.5	Very low	31	Very low	188 Å²	188	148.9 Å²	148.9	82%	0.817	74%	0.739	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.8	7.3	177.3	-98.2	-171.9	174.5	-176	0	115.7
257	S	31.6	Very low	30.7	Very low	103 Å²	103	150 Å²	150	72%	0.72	73%	0.732	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.3	-10.4	-178.9	-58.7	0	0	0	0	114.7	E255	E255-S257 VanDerWaalsContact C-N 3.26Å; E255-S257 PolarHBondContact O-N 3.1Å
258	E	32.5	Very low	30.4	Very low	166 Å²	166	150.7 Å²	150.7	78%	0.776	73%	0.734	S	S	*	*	S	Bend	trans	-132.8	44	-166.8	-65	-170.5	159.6	0	0	114.4
259	Q	26.9	Very low	30	Very low	180 Å²	180	152.3 Å²	152.3	84%	0.841	75%	0.752	S	S	*	*	S	Bend	trans	-165.8	127.7	157.1	-111.8	140.9	92.9	0	0	113
260	V	29.8	Very low	30.3	Very low	122 Å²	122	151.5 Å²	151.5	74%	0.739	76%	0.758	S	S	*	*			trans	58.6	119	158.4	-170.7	0	0	0	0	116.8	D262	V260-D262 VanDerWaalsContact CG1-N 3.27Å
261	L	34.1	Very low	29.9	Very low	169 Å²	169	150.1 Å²	150.1	89%	0.885	76%	0.758	S	S	*	*			cis	47.3	73.5	-0.2	-69.9	-178.7	0	0	0	117
262	D	26	Very low	29.5	Very low	136 Å²	136	149.8 Å²	149.8	73%	0.727	76%	0.763	S	S	*	*				-171.8	133.4	129.7	-100.4	-22.1	0	0	0	113.8	V260	V260-D262 VanDerWaalsContact CG1-N 3.27Å
263	N	26.3	Very low	29.3	Very low	153 Å²	153	151.2 Å²	151.2	82%	0.818	77%	0.771	S	S	*	*			trans	59.3	153.5	160.7	-67.5	-32.4	0	0	0	124.5
264	P	37.9	Very low	28.7	Very low	107 Å²	107	147.8 Å²	147.8	70%	0.695	77%	0.766	S	S	*	*			trans	-132.4	-157.3	-172.8	38.2	-14.1	0	0	0	114.6
265	E	26.7	Very low	28.3	Very low	178 Å²	178	144 Å²	144	83%	0.832	77%	0.767	S	S	*	*			trans	80.1	141.1	175.5	-47.3	-166.2	133.9	0	0	114.1
266	D	26.5	Very low	28.1	Very low	129 Å²	129	143.8 Å²	143.8	69%	0.69	77%	0.77	S	S	*	*			cis	-158.7	150.3	37.7	-147.7	17.5	0	0	0	117.7
267	L	27.4	Very low	27.9	Very low	112 Å²	112	145.7 Å²	145.7	59%	0.586	77%	0.771	S	S	*	*			trans	32.1	113.6	151	-66	165.2	0	0	0	127.8
268	R	24.9	Very low	27.5	Very low	224 Å²	224	149 Å²	149	85%	0.845	78%	0.776	S	S	*	*				68.5	101.9	106.8	-159.6	-173.9	-51.7	-134.4	5.4	124
269	G	24.5	Very low	27.1	Very low	70 Å²	70	144.8 Å²	144.8	72%	0.722	78%	0.777	S	S	*	*				96.7	-172.9	117.9	0	0	0	0	0	119.9
270	P	38.5	Very low	26.9	Very low	117 Å²	117	145.4 Å²	145.4	76%	0.76	78%	0.777	S	S	*	*			cis	-146.1	-168.5	-10.7	34.1	-9.6	0	0	0	116.6
271	I	26.3	Very low	26.7	Very low	162 Å²	162	144.9 Å²	144.9	83%	0.831	78%	0.778	S	S	*	*			trans	94.7	148.5	157.8	-55	-178.5	0	0	0	119.3
272	H	22.6	Very low	26.4	Very low	164 Å²	164	142 Å²	142	76%	0.759	77%	0.769	S	S	*	*			trans	-156.9	137.1	-159.7	146.6	-60	0	0	0	111.2
273	L	24.9	Very low	26.3	Very low	156 Å²	156	145.3 Å²	145.3	82%	0.817	77%	0.773	S	S	*	*			trans	-171.2	154.5	164.1	-87.8	125.5	0	0	0	108.4
274	S	23.8	Very low	26.2	Very low	99 Å²	99	146 Å²	146	69%	0.692	77%	0.769	S	S	*	*			cis	-168.8	150.3	-26.3	49.8	0	0	0	0	109.6
275	V	23.7	Very low	25.5	Very low	139 Å²	139	153 Å²	153	84%	0.842	78%	0.782	S	S	*	*			trans	-98.5	147.5	-172.6	173.8	0	0	0	0	113.1
276	L	25.4	Very low	25.3	Very low	146 Å²	146	147.4 Å²	147.4	76%	0.764	77%	0.772	S	S	*	*			trans	163.1	149	149.3	-88.9	160.3	0	0	0	109.5
277	R	25.8	Very low	25.2	Very low	227 Å²	227	150.8 Å²	150.8	86%	0.857	78%	0.78	S	S	*	*			cis	-154.3	175	-3.7	-155	170	-143.9	-156	4.9	111.1
278	Q	23.6	Very low	25.1	Very low	174 Å²	174	151.4 Å²	151.4	81%	0.813	78%	0.784	S	S	*	*			trans	-79.9	160.7	-174.6	-59.3	170	-11.8	0	0	116.2
279	G	22.7	Very low	25.1	Very low	77 Å²	77	149.5 Å²	149.5	79%	0.794	79%	0.785	S	S	*	*			trans	-142.7	156.8	158.8	0	0	0	0	0	111.2
280	K	23.7	Very low	25.1	Very low	193 Å²	193	149.8 Å²	149.8	84%	0.839	79%	0.788	S	S	*	*			trans	-129.4	153.7	-171.3	-69.8	-177.1	178.1	179.2	0	114.2
281	S	25.2	Very low	24.4	Very low	111 Å²	111	150.6 Å²	150.6	78%	0.776	79%	0.786	S	S	*	*			trans	-72.3	161.2	175.4	177.3	0	0	0	0	113.7
282	P	29.1	Very low	24.4	Very low	107 Å²	107	149.8 Å²	149.8	70%	0.695	79%	0.788	S	S	*	*				-148.4	134.7	121.5	36.2	-19.5	0	0	0	118.3
283	Y	21.8	Very low	24.6	Very low	206 Å²	206	148.7 Å²	148.7	81%	0.808	78%	0.783	S	S	*	*			trans	57.2	163.7	136.7	-77.9	-119.5	0	0	0	123.6
284	K	25.2	Very low	24.8	Very low	169 Å²	169	146.9 Å²	146.9	74%	0.735	78%	0.781	S	S	*	*			cis	178.2	113.9	-40	-164.6	178.9	-170.8	-175.4	0	112.6
285	R	22.7	Very low	25.3	Very low	254 Å²	254	148.4 Å²	148.4	96%	0.958	78%	0.777	S	S	*	*			trans	168.7	147.2	153.9	-108.6	178.1	-83.4	-162.5	-3.3	111.1
286	G	23.2	Very low	25.6	Very low	60 Å²	60	145.1 Å²	145.1	62%	0.619	76%	0.764	S	S	*	*			cis	159.8	135.4	-16.8	0	0	0	0	0	115
287	F	24.1	Very low	26.2	Very low	199 Å²	199	146.8 Å²	146.8	87%	0.873	77%	0.765	S	S	*	*			trans	66.5	151.7	166.9	-65.7	-93.1	0	0	0	117.6
288	D	24.4	Very low	26.6	Very low	126 Å²	126	143.3 Å²	143.3	67%	0.674	76%	0.756	S	S	*	*			cis	-146.6	169.4	7.4	-139.9	-22.7	0	0	0	114.7
289	E	25.7	Very low	27.2	Very low	184 Å²	184	142 Å²	142	86%	0.86	75%	0.748	S	S	*	*			trans	20.3	150.6	167.1	-78.9	-179.2	171.7	0	0	123.3
290	G	24.8	Very low	27.9	Very low	75 Å²	75	145.5 Å²	145.5	77%	0.773	74%	0.741	S	S	*	*			cis	-148	179.5	12.4	0	0	0	0	0	114.6
291	D	23.9	Very low	28.8	Very low	135 Å²	135	140 Å²	140	72%	0.722	72%	0.72	S	S	*	*			trans	-116.9	136	-149.1	-171.5	14.2	0	0	0	115.9	H293	D291-H293 PolarHBondContact OD1-N 3.49Å
292	V	26.6	Very low	29.3	Very low	145 Å²	145	139.5 Å²	139.5	88%	0.879	71%	0.709	S	S	*	*			trans	-142.3	86.1	160	-176.3	0	0	0	0	108.7	P294	V292-P294 WeakPolarHBondContact O-CD 3.43Å
293	H	25.9	Very low	29.9	Very low	141 Å²	141	139.2 Å²	139.2	65%	0.653	70%	0.701	S	S	*	*			trans	-80.4	134	-170.7	-171.3	71	0	0	0	115.2	D291 Q295 A296	D291-H293 PolarHBondContact OD1-N 3.49Å; H293-Q295 PolarHBondContact CE1-O 3.43Å; H293-Q295 PolarHBondContact NE2-O 3.29Å; H293-A296 WeakPolarHBondContact NE2-CA 3.25Å; H293-A296 WeakPolarHBondContact NE2-CB 3.49Å; H293-A296 PolarHBondContact NE2-N 3Å
294	P	29.3	Very low	31.1	Very low	118 Å²	118	133.3 Å²	133.3	77%	0.766	68%	0.682	S	S	*	*			trans	-142.2	61.2	142.2	39.9	-25.5	0	0	0	114.4	V292	V292-P294 WeakPolarHBondContact O-CD 3.43Å
295	Q	35.2	Very low	31.6	Very low	130 Å²	130	129.2 Å²	129.2	61%	0.607	67%	0.665	S	S	*	*			trans	-128.9	57.4	173.1	-72.2	-157.8	3.8	0	0	115.2	H293	H293-Q295 PolarHBondContact CE1-O 3.43Å; H293-Q295 PolarHBondContact NE2-O 3.29Å
296	A	29.3	Very low	32.6	Very low	70 Å²	70	122.1 Å²	122.1	58%	0.579	64%	0.641	S	S	*	*	S	Bend	trans	-98	-28.1	169.3	0	0	0	0	0	114.3	H293	H293-A296 WeakPolarHBondContact NE2-CA 3.25Å; H293-A296 WeakPolarHBondContact NE2-CB 3.49Å; H293-A296 PolarHBondContact NE2-N 3Å
297	K	37.1	Very low	33.3	Very low	181 Å²	181	123.3 Å²	123.3	79%	0.787	63%	0.633	S	S	*	*	S	Bend	trans	-78.3	-45.3	-172.7	-69.1	-173.5	178.7	-177.2	0	114.1	K299 K300	K297-K299 PolarHBondContact O-N 2.77Å; K297-K300 WeakPolarHBondContact O-CB 3.26Å; K297-K300 PolarHBondContact O-N 2.78Å
298	K	34.5	Very low	34.2	Very low	154 Å²	154	116.8 Å²	116.8	67%	0.67	61%	0.609	S	S	*	*	H	α-helix	trans	-58.6	-47.5	-169.4	-160.5	166.6	-174.8	172.4	0	113.3	K300 I301 D302	K298-K300 PolarHBondContact O-N 3.14Å; K298-K300 VanDerWaalsContact O-N 3.12Å; K298-I301 WeakPolarHBondContact O-CB 3.38Å; K298-I301 PolarHBondContact O-N 3.33Å; K298-I301 VanDerWaalsContact O-N 3.07Å; K298-D302 PolarHBondContact O-N 2.74Å
299	K	37.2	Very low	34.9	Very low	146 Å²	146	116.1 Å²	116.1	64%	0.635	61%	0.605	S	S	*	*	H	α-helix	trans	-60.1	-23.7	176.9	-69.6	179.4	178.7	171.8	0	114.6	K297 I301 L303	K297-K299 PolarHBondContact O-N 2.77Å; K299-I301 VanDerWaalsContact C-N 3.33Å; K299-L303 PolarHBondContact O-N 3.01Å
300	K	37.6	Very low	35.7	Very low	151 Å²	151	111.7 Å²	111.7	66%	0.657	59%	0.585	S	S	*	*	H	α-helix	trans	-74.3	-29	179.3	-155.4	177.4	-175.2	-174.3	0	111.5	K297 K298 I304	K297-K300 WeakPolarHBondContact O-CB 3.26Å; K297-K300 PolarHBondContact O-N 2.78Å; K298-K300 PolarHBondContact O-N 3.14Å; K298-K300 VanDerWaalsContact O-N 3.12Å; K300-I304 WeakPolarHBondContact O-CD1 3.37Å; K300-I304 VanDerWaalsContact O-CG1 3.29Å; K300-I304 WeakPolarHBondContact O-CG1 3.34Å; K300-I304 PolarHBondContact O-N 3.22Å
301	I	41.3	Very low	36.4	Very low	78 Å²	78	110.4 Å²	110.4	40%	0.4	57%	0.567	S	S	.	*	H	α-helix	trans	-71.8	-46.2	175	-65.3	164	0	0	0	110	K298 K299 L303 I304 F305	K298-I301 WeakPolarHBondContact O-CB 3.38Å; K298-I301 PolarHBondContact O-N 3.33Å; K298-I301 VanDerWaalsContact O-N 3.07Å; K299-I301 VanDerWaalsContact C-N 3.33Å; I301-L303 VanDerWaalsContact C-N 3.29Å; I301-L303 PolarHBondContact O-N 2.98Å; I301-I304 PolarHBondContact O-N 3.06Å; I301-F305 HydrophobicContact CG2-CD2 3.63Å; I301-F305 HydrophobicContact CG2-CE2 3.53Å; I301-F305 WeakPolarHBondContact O-CD2 3.35Å; I301-F305 PolarHBondContact O-N 3.35Å
302	D	37	Very low	37.2	Very low	100 Å²	100	107.3 Å²	107.3	54%	0.535	56%	0.556	S	S	.	*	H	α-helix	trans	-59.7	-37.1	179	-57.4	-41.7	0	0	0	112.9	K298 K306	K298-D302 PolarHBondContact O-N 2.74Å; D302-K306 PolarHBondContact O-N 2.91Å
303	L	40.4	Very low	37.9	Very low	102 Å²	102	105.4 Å²	105.4	53%	0.534	54%	0.54	S	S	.	.	H	α-helix	trans	-65.6	-49	174.1	-89.5	154.5	0	0	0	111.9	K299 I301 F305 K306 D307	K299-L303 PolarHBondContact O-N 3.01Å; I301-L303 VanDerWaalsContact C-N 3.29Å; I301-L303 PolarHBondContact O-N 2.98Å; L303-F305 VanDerWaalsContact C-N 3.3Å; L303-F305 PolarHBondContact O-N 3.39Å; L303-K306 WeakPolarHBondContact O-CB 3.23Å; L303-K306 PolarHBondContact O-N 3.18Å; L303-D307 VanDerWaalsContact O-CG 3.25Å; L303-D307 PolarHBondContact O-N 3.3Å
304	I	47.2	Very low	38.3	Very low	81 Å²	81	104.9 Å²	104.9	42%	0.415	54%	0.538	S	S	.	.	H	α-helix	trans	-59.1	-40.9	178.2	-67.9	164.4	0	0	0	111.2	K300 I301 K306 D307 V308 I864	K300-I304 WeakPolarHBondContact O-CD1 3.37Å; K300-I304 VanDerWaalsContact O-CG1 3.29Å; K300-I304 WeakPolarHBondContact O-CG1 3.34Å; K300-I304 PolarHBondContact O-N 3.22Å; I301-I304 PolarHBondContact O-N 3.06Å; I304-K306 VanDerWaalsContact C-N 3.33Å; I304-K306 PolarHBondContact O-N 2.85Å; I304-D307 PolarHBondContact O-N 3.35Å; I304-V308 HydrophobicContact CG2-CG2 4.39Å; I304-V308 VanDerWaalsContact O-CG2 3.32Å; I304-V308 WeakPolarHBondContact O-CG2 3.05Å; I304-V308 PolarHBondContact O-N 2.66Å; I304-I864 HydrophobicContact CG2-CD1 4.44Å
305	F	37.2	Very low	38.7	Very low	83 Å²	83	102.2 Å²	102.2	36%	0.364	52%	0.522	S	S	.	.	H	α-helix	trans	-65.4	-33.5	176.1	-85.5	-66.5	0	0	0	113.5	I301 L303 L309 Y797	I301-F305 HydrophobicContact CG2-CD2 3.63Å; I301-F305 HydrophobicContact CG2-CE2 3.53Å; I301-F305 WeakPolarHBondContact O-CD2 3.35Å; I301-F305 PolarHBondContact O-N 3.35Å; L303-F305 VanDerWaalsContact C-N 3.3Å; L303-F305 PolarHBondContact O-N 3.39Å; F305-L309 PolarHBondContact O-N 3.07Å; F305-Y797 HydrophobicContact CE1-CD2 4.42Å
306	K	42.6	Very low	38.8	Very low	105 Å²	105	98.9 Å²	98.9	46%	0.457	52%	0.517	S	S	.	.	H	α-helix	trans	-66.5	-47.7	173.3	-178.4	-178.5	176.1	-70.5	0	111.1	D302 L303 I304 V308 L309 E310	D302-K306 PolarHBondContact O-N 2.91Å; L303-K306 WeakPolarHBondContact O-CB 3.23Å; L303-K306 PolarHBondContact O-N 3.18Å; I304-K306 VanDerWaalsContact C-N 3.33Å; I304-K306 PolarHBondContact O-N 2.85Å; K306-V308 PolarHBondContact O-N 3.29Å; K306-L309 WeakPolarHBondContact O-CB 3.39Å; K306-L309 PolarHBondContact O-N 3.38Å; K306-E310 IonicContact NZ-OE1 2.74Å; K306-E310 PolarHBondContact NZ-OE1 3.34Å; K306-E310 IonicContact NZ-OE2 2.62Å; K306-E310 PolarHBondContact NZ-OE2 3.47Å; K306-E310 PolarHBondContact O-N 3.06Å
307	D	39.1	Very low	39.1	Very low	86 Å²	86	101.8 Å²	101.8	46%	0.46	52%	0.516	S	S	.	.	H	α-helix	trans	-67.2	-38.3	-174.3	-59	-20.6	0	0	0	111.2	L303 I304 L309 E310 A311	L303-D307 VanDerWaalsContact O-CG 3.25Å; L303-D307 PolarHBondContact O-N 3.3Å; I304-D307 PolarHBondContact O-N 3.35Å; D307-L309 VanDerWaalsContact C-N 3.34Å; D307-L309 PolarHBondContact O-N 2.81Å; D307-E310 PolarHBondContact O-N 3.4Å; D307-A311 WeakPolarHBondContact O-CB 3.17Å; D307-A311 PolarHBondContact O-N 2.99Å
308	V	41.7	Very low	39.2	Very low	61 Å²	61	97.2 Å²	97.2	37%	0.37	50%	0.503	S	S	.	.	H	α-helix	trans	-64.2	-35.5	173.3	170.4	0	0	0	0	112.5	I304 K306 S312	I304-V308 HydrophobicContact CG2-CG2 4.39Å; I304-V308 VanDerWaalsContact O-CG2 3.32Å; I304-V308 WeakPolarHBondContact O-CG2 3.05Å; I304-V308 PolarHBondContact O-N 2.66Å; K306-V308 PolarHBondContact O-N 3.29Å; V308-S312 WeakPolarHBondContact O-CB 3.48Å; V308-S312 PolarHBondContact O-N 3.02Å; V308-S312 VanDerWaalsContact O-N 3.15Å; V308-S312 PolarHBondContact O-OG 3.11Å
309	L	39.1	Very low	39.3	Very low	113 Å²	113	96.5 Å²	96.5	59%	0.592	50%	0.502	S	S	*	.	H	α-helix	trans	-71.2	-40.9	175.5	-91.4	163.9	0	0	0	112.3	F305 K306 D307 S312 L313	F305-L309 PolarHBondContact O-N 3.07Å; K306-L309 WeakPolarHBondContact O-CB 3.39Å; K306-L309 PolarHBondContact O-N 3.38Å; D307-L309 VanDerWaalsContact C-N 3.34Å; D307-L309 PolarHBondContact O-N 2.81Å; L309-S312 PolarHBondContact O-N 3.39Å; L309-L313 WeakPolarHBondContact O-CG 3.22Å; L309-L313 PolarHBondContact O-N 3.34Å; L309-L313 VanDerWaalsContact O-N 3.13Å
310	E	42.1	Very low	39.3	Very low	91 Å²	91	93 Å²	93	43%	0.425	50%	0.5	S	S	.	.	H	α-helix	trans	-66.9	-43.8	175.5	-80.2	170.6	161.1	0	0	111.6	K306 D307 S312 L313 E314	K306-E310 IonicContact NZ-OE1 2.74Å; K306-E310 PolarHBondContact NZ-OE1 3.34Å; K306-E310 IonicContact NZ-OE2 2.62Å; K306-E310 PolarHBondContact NZ-OE2 3.47Å; K306-E310 PolarHBondContact O-N 3.06Å; D307-E310 PolarHBondContact O-N 3.4Å; E310-S312 VanDerWaalsContact C-N 3.3Å; E310-S312 PolarHBondContact O-N 3.38Å; E310-L313 CarbonylContact O-C 3.49Å; E310-L313 WeakPolarHBondContact O-CA 3.25Å; E310-L313 PolarHBondContact O-N 3.01Å; E310-E314 PolarHBondContact O-N 2.89Å
311	A	40.7	Very low	39	Very low	48 Å²	48	92.5 Å²	92.5	40%	0.397	50%	0.5	S	S	.	.	H	α-helix	trans	-59.7	-37	174.9	0	0	0	0	0	113.4	D307 L313 E314 S315	D307-A311 WeakPolarHBondContact O-CB 3.17Å; D307-A311 PolarHBondContact O-N 2.99Å; A311-L313 VanDerWaalsContact C-N 3.31Å; A311-L313 PolarHBondContact O-N 2.84Å; A311-E314 PolarHBondContact O-N 3.34Å; A311-S315 PolarHBondContact O-N 3.02Å; A311-S315 PolarHBondContact O-OG 3.21Å
312	S	40.8	Very low	38.7	Very low	70 Å²	70	95.6 Å²	95.6	49%	0.49	51%	0.513	S	S	.	.	H	α-helix	trans	-69.2	-28.7	174.8	-58.6	0	0	0	0	112.7	V308 L309 E310 S315	V308-S312 WeakPolarHBondContact O-CB 3.48Å; V308-S312 PolarHBondContact O-N 3.02Å; V308-S312 VanDerWaalsContact O-N 3.15Å; V308-S312 PolarHBondContact O-OG 3.11Å; L309-S312 PolarHBondContact O-N 3.39Å; E310-S312 VanDerWaalsContact C-N 3.3Å; E310-S312 PolarHBondContact O-N 3.38Å; S312-S315 PolarHBondContact O-OG 2.89Å
313	L	39.9	Very low	38.6	Very low	104 Å²	104	97.9 Å²	97.9	55%	0.545	52%	0.524	S	S	.	.	H	α-helix	trans	-88.2	-11.4	177.3	-73.2	169.1	0	0	0	114	L309 E310 A311 K317	L309-L313 WeakPolarHBondContact O-CG 3.22Å; L309-L313 PolarHBondContact O-N 3.34Å; L309-L313 VanDerWaalsContact O-N 3.13Å; E310-L313 CarbonylContact O-C 3.49Å; E310-L313 WeakPolarHBondContact O-CA 3.25Å; E310-L313 PolarHBondContact O-N 3.01Å; A311-L313 VanDerWaalsContact C-N 3.31Å; A311-L313 PolarHBondContact O-N 2.84Å; L313-K317 WeakPolarHBondContact O-CD 3.45Å; L313-K317 WeakPolarHBondContact O-CE 3.47Å; L313-K317 WeakPolarHBondContact O-CG 3.31Å; L313-K317 PolarHBondContact O-NZ 3.46Å
314	E	35.5	Very low	38.2	Very low	131 Å²	131	96.6 Å²	96.6	61%	0.612	53%	0.529	S	S	*	.	H	α-helix	trans	-91.6	-42	173.4	-70.5	-166.3	151	0	0	112.3	E310 A311 A316 K317 V318	E310-E314 PolarHBondContact O-N 2.89Å; A311-E314 PolarHBondContact O-N 3.34Å; E314-A316 VanDerWaalsContact C-N 3.32Å; E314-A316 PolarHBondContact O-N 3.38Å; E314-K317 WeakPolarHBondContact O-CB 3.46Å; E314-K317 PolarHBondContact O-N 3.13Å; E314-V318 PolarHBondContact O-N 3.01Å
315	S	38	Very low	37.6	Very low	61 Å²	61	100.2 Å²	100.2	43%	0.427	55%	0.548	S	S	.	.	H	α-helix	trans	-54.5	-45.5	175.7	42.2	0	0	0	0	112.6	A311 S312 K317 V318	A311-S315 PolarHBondContact O-N 3.02Å; A311-S315 PolarHBondContact O-OG 3.21Å; S312-S315 PolarHBondContact O-OG 2.89Å; S315-K317 PolarHBondContact O-N 2.99Å; S315-K317 VanDerWaalsContact O-N 3.14Å; S315-V318 PolarHBondContact O-N 2.89Å; S315-V318 VanDerWaalsContact O-N 3.16Å
316	A	36.7	Very low	37.2	Very low	61 Å²	61	100.5 Å²	100.5	50%	0.504	56%	0.56	S	S	.	*	H	α-helix	trans	-62.2	-18	175.7	0	0	0	0	0	115.1	E314	E314-A316 VanDerWaalsContact C-N 3.32Å; E314-A316 PolarHBondContact O-N 3.38Å
317	K	36.5	Very low	36.5	Very low	131 Å²	131	102 Å²	102	57%	0.57	58%	0.579	S	S	*	*	H	α-helix	trans	-88.6	-25.1	176.9	-65.2	173.7	-172.2	123.6	0	112.8	L313 E314 S315 H321	L313-K317 WeakPolarHBondContact O-CD 3.45Å; L313-K317 WeakPolarHBondContact O-CE 3.47Å; L313-K317 WeakPolarHBondContact O-CG 3.31Å; L313-K317 PolarHBondContact O-NZ 3.46Å; E314-K317 WeakPolarHBondContact O-CB 3.46Å; E314-K317 PolarHBondContact O-N 3.13Å; S315-K317 PolarHBondContact O-N 2.99Å; S315-K317 VanDerWaalsContact O-N 3.14Å; K317-H321 PolarHBondContact O-N 3.17Å
318	V	38.4	Very low	35.9	Very low	85 Å²	85	103.2 Å²	103.2	52%	0.515	59%	0.594	S	S	.	*	H	α-helix	trans	-73.7	-44.3	-178.1	177.1	0	0	0	0	111	E314 S315 A320 H321 Q322	E314-V318 PolarHBondContact O-N 3.01Å; S315-V318 PolarHBondContact O-N 2.89Å; S315-V318 VanDerWaalsContact O-N 3.16Å; V318-A320 PolarHBondContact O-N 3.43Å; V318-H321 PolarHBondContact O-N 3.03Å; V318-H321 VanDerWaalsContact O-N 3.07Å; V318-Q322 PolarHBondContact O-N 3.44Å
319	E	36.9	Very low	35.2	Very low	138 Å²	138	107.6 Å²	107.6	65%	0.645	61%	0.614	S	S	*	*	H	α-helix	trans	-61.9	-43.6	178.1	-64.3	-179.6	155.8	0	0	111.7	H321 Q322 L323	E319-H321 PolarHBondContact O-N 3.47Å; E319-Q322 PolarHBondContact O-N 3.32Å; E319-L323 PolarHBondContact O-N 2.93Å
320	A	36.6	Very low	34.6	Very low	72 Å²	72	108.9 Å²	108.9	60%	0.595	63%	0.627	S	S	*	*	H	α-helix	trans	-59.9	-25.7	174.6	0	0	0	0	0	113.4	V318	V318-A320 PolarHBondContact O-N 3.43Å
321	H	32	Very low	33.8	Very low	142 Å²	142	111.2 Å²	111.2	66%	0.657	64%	0.64	S	S	*	*	H	α-helix	trans	-89.2	-24.8	-179.6	-132.1	-41.5	0	0	0	113.8	K317 V318 E319	K317-H321 PolarHBondContact O-N 3.17Å; V318-H321 PolarHBondContact O-N 3.03Å; V318-H321 VanDerWaalsContact O-N 3.07Å; E319-H321 PolarHBondContact O-N 3.47Å
322	Q	34.6	Very low	32.9	Very low	143 Å²	143	119.5 Å²	119.5	67%	0.668	66%	0.661	S	S	*	*	H	α-helix	trans	-76.6	-38.2	176.4	-71.6	-172.5	-6.8	0	0	112.5	V318 E319 A324 L325	V318-Q322 PolarHBondContact O-N 3.44Å; E319-Q322 PolarHBondContact O-N 3.32Å; Q322-A324 PolarHBondContact O-N 3.37Å; Q322-A324 VanDerWaalsContact O-N 3.11Å; Q322-L325 PolarHBondContact O-N 2.99Å
323	L	34.3	Very low	32	Very low	147 Å²	147	125.1 Å²	125.1	77%	0.77	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.8	-7.5	177.2	-79.2	163	0	0	0	114.4	E319	E319-L323 PolarHBondContact O-N 2.93Å
324	A	33.2	Very low	31.1	Very low	76 Å²	76	126.7 Å²	126.7	63%	0.628	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.3	-3.7	-178.8	0	0	0	0	0	114.7	Q322	Q322-A324 PolarHBondContact O-N 3.37Å; Q322-A324 VanDerWaalsContact O-N 3.11Å
325	L	33.9	Very low	30.8	Very low	157 Å²	157	125.4 Å²	125.4	82%	0.822	69%	0.694	S	S	*	*	S	Bend	trans	-109.2	3.7	-172	-81.7	164.6	0	0	0	115.4	Q322	Q322-L325 PolarHBondContact O-N 2.99Å
326	S	28.8	Very low	30	Very low	89 Å²	89	130.8 Å²	130.8	62%	0.622	71%	0.709	S	S	*	*	S	Bend	trans	-141.1	132.5	165.7	55.5	0	0	0	0	108.9
327	T	27.7	Very low	29.2	Very low	137 Å²	137	137.2 Å²	137.2	84%	0.84	72%	0.722	S	S	*	*			cis	-144.3	151.1	12.3	-44.8	0	0	0	0	110.6
328	S	25.9	Very low	28.5	Very low	111 Å²	111	137.4 Å²	137.4	78%	0.776	73%	0.725	S	S	*	*			trans	-95.4	131.3	179.4	-65	0	0	0	0	113.4
329	L	28.1	Very low	27.7	Very low	153 Å²	153	139.2 Å²	139.2	80%	0.801	73%	0.732	S	S	*	*			trans	29	134.9	145.6	-58.9	165.8	0	0	0	118.9
330	V	25.2	Very low	27	Very low	140 Å²	140	139.5 Å²	139.5	85%	0.848	74%	0.738	S	S	*	*				-162.9	155.1	75.8	152.8	0	0	0	0	113.3
331	I	25.5	Very low	26.5	Very low	139 Å²	139	140 Å²	140	71%	0.713	74%	0.742	S	S	*	*			trans	-81.3	142.2	-170.2	-54	147.2	0	0	0	114.2
332	R	23.2	Very low	26.1	Very low	222 Å²	222	144.4 Å²	144.4	84%	0.838	75%	0.754	S	S	*	*				174.5	125.9	123.5	-96.6	174.4	-179.1	-174.5	1.9	118.2
333	K	21.2	Very low	25.5	Very low	188 Å²	188	142.5 Å²	142.5	82%	0.817	76%	0.757	S	S	*	*			trans	62.8	108.3	139.1	-69.9	-169.4	173.7	-168.4	0	123.1
334	V	21	Very low	25	Very low	137 Å²	137	144.8 Å²	144.8	83%	0.83	76%	0.764	S	S	*	*			trans	-30.7	160.1	133	-100.4	0	0	0	0	115.5
335	P	29	Very low	24.4	Very low	105 Å²	105	147.1 Å²	147.1	68%	0.682	77%	0.774	S	S	*	*			cis	-152.9	-177.2	33.6	47.1	-27.7	0	0	0	120.7
336	K	20.7	Very low	23.9	Very low	173 Å²	173	143.8 Å²	143.8	75%	0.752	77%	0.769	S	S	*	*			trans	88.5	124.8	145.3	-78.2	-167.7	-179.6	-170.3	0	123.1
337	Y	21.1	Very low	23.6	Very low	196 Å²	196	145 Å²	145	77%	0.769	77%	0.773	S	S	*	*			trans	66.8	150.4	131.1	-80	-130.7	0	0	0	119.3
338	Q	21.3	Very low	23.5	Very low	136 Å²	136	145 Å²	145	64%	0.636	77%	0.773	S	S	*	*			cis	-168.4	152.4	-14	-177.7	-175.1	-16.4	0	0	110
339	D	22.2	Very low	23.4	Very low	123 Å²	123	146.9 Å²	146.9	66%	0.658	77%	0.771	S	S	*	*			trans	62.8	155.8	155.4	-72.4	-8.1	0	0	0	126.1
340	D	22.5	Very low	23.2	Very low	144 Å²	144	144.3 Å²	144.3	77%	0.77	76%	0.762	S	S	*	*			trans	71.3	90	148.7	-69.3	-16.5	0	0	0	124.5
341	A	24.3	Very low	23.2	Very low	83 Å²	83	146.4 Å²	146.4	69%	0.686	76%	0.762	S	S	*	*				71.2	155.5	99.5	0	0	0	0	0	124.2
342	Y	23.9	Very low	23.2	Very low	233 Å²	233	143.2 Å²	143.2	91%	0.914	76%	0.763	S	S	*	*			trans	78.9	154.6	163.6	-86.9	-76.2	0	0	0	122
343	S	23.3	Very low	23.2	Very low	103 Å²	103	138.4 Å²	138.4	72%	0.72	76%	0.759	S	S	*	*			trans	-92.6	173	-157.8	-42.7	0	0	0	0	115.1
344	Q	22.7	Very low	23.4	Very low	195 Å²	195	137.2 Å²	137.2	91%	0.911	76%	0.756	S	S	*	*				128.7	144.7	125.7	-156.3	163.5	34.9	0	0	115
345	C	21.5	Very low	23.7	Very low	125 Å²	125	136.5 Å²	136.5	85%	0.845	75%	0.747	S	S	*	*			trans	-82.1	151.7	-178.4	-52.3	0	0	0	0	112.7
346	A	23.1	Very low	23.5	Very low	88 Å²	88	139.3 Å²	139.3	73%	0.727	76%	0.755	S	S	*	*				-173.5	133	128.1	0	0	0	0	0	115.3
347	T	23.1	Very low	23.8	Very low	113 Å²	113	134 Å²	134	69%	0.693	75%	0.75	S	S	*	*			trans	30.6	129.4	142.6	58.1	0	0	0	0	124.1
348	T	24	Very low	24	Very low	138 Å²	138	134.1 Å²	134.1	85%	0.847	76%	0.757	S	S	*	*				-149.6	133.6	124.2	34.4	0	0	0	0	107.3
349	M	24.2	Very low	24.2	Very low	151 Å²	151	133.8 Å²	133.8	74%	0.744	77%	0.765	S	S	*	*			cis	69.7	129.3	41.7	-57.7	-69.6	-176.5	0	0	111.8
350	T	23.9	Very low	24.4	Very low	98 Å²	98	137.7 Å²	137.7	60%	0.601	78%	0.779	S	S	*	*			cis	-167.7	158.5	8.3	-4.1	0	0	0	0	113.1
351	H	26.1	Very low	24.5	Very low	185 Å²	185	134.2 Å²	134.2	86%	0.856	78%	0.777	S	S	*	*			trans	62.2	160.8	160.8	-55	-51.2	0	0	0	117.8
352	G	24.2	Very low	24.5	Very low	71 Å²	71	140 Å²	140	73%	0.732	79%	0.79	S	S	*	*			cis	157.3	159.2	3.7	0	0	0	0	0	108.4
353	V	24.1	Very low	24.6	Very low	122 Å²	122	132.3 Å²	132.3	74%	0.739	78%	0.782	S	S	*	*			cis	-173.5	140	21.9	137.7	0	0	0	0	108.9
354	Q	26	Very low	24.6	Very low	163 Å²	163	134.3 Å²	134.3	76%	0.762	78%	0.784	S	S	*	*			trans	41	165.1	142.1	-57.6	-177.6	-0.3	0	0	123.2
355	N	25.8	Very low	24.6	Very low	121 Å²	121	134.2 Å²	134.2	65%	0.647	78%	0.776	S	S	*	*			cis	-172.2	173.7	-22.5	-97.8	-15	0	0	0	110.2
356	I	26.2	Very low	24.6	Very low	164 Å²	164	136.5 Å²	136.5	84%	0.841	77%	0.771	S	S	*	*			trans	72.7	141.7	159.3	-63	139.2	0	0	0	116.7
357	G	25.9	Very low	25	Very low	63 Å²	63	138.5 Å²	138.5	65%	0.649	77%	0.774	S	S	*	*			cis	130.7	131.8	-9.5	0	0	0	0	0	115.2
358	Q	26.2	Very low	25.5	Very low	197 Å²	197	138.2 Å²	138.2	92%	0.921	77%	0.774	S	S	*	*			trans	-161.9	166.5	164.4	-118.3	174.9	17.9	0	0	113.3
359	T	24.9	Very low	25.6	Very low	130 Å²	130	140.7 Å²	140.7	80%	0.798	78%	0.776	S	S	*	*			trans	-153.2	141.8	-155.3	52	0	0	0	0	115.5
360	Q	26.1	Very low	25.7	Very low	205 Å²	205	136.8 Å²	136.8	96%	0.958	78%	0.775	S	S	*	*			trans	-177	151	155.8	-104.6	165	-3.6	0	0	108.4
361	G	24.6	Very low	25.7	Very low	71 Å²	71	138.4 Å²	138.4	73%	0.732	79%	0.785	S	S	*	*			cis	-167.1	-171.1	-1.2	0	0	0	0	0	111.8
362	E	24.6	Very low	25.7	Very low	204 Å²	204	134.8 Å²	134.8	95%	0.953	78%	0.78	S	S	*	*			trans	-70.6	168.6	-176.6	-57.9	140.1	130.1	0	0	113.9
363	G	25.6	Very low	25.7	Very low	72 Å²	72	140.8 Å²	140.8	74%	0.742	79%	0.786	S	S	*	*			cis	167	159.4	-5.8	0	0	0	0	0	113.9
364	D	23.5	Very low	25.6	Very low	144 Å²	144	143.2 Å²	143.2	77%	0.77	79%	0.789	S	S	*	*			trans	67.2	145.9	154.5	-103.6	2.2	0	0	0	126.9
365	W	22.3	Very low	25.9	Very low	194 Å²	194	141 Å²	141	74%	0.735	79%	0.789	S	S	*	*			trans	39.6	117.4	162.1	-56.9	105.3	0	0	0	127.7
366	K	23	Very low	25.8	Very low	172 Å²	172	138.4 Å²	138.4	75%	0.748	79%	0.791	S	S	*	*			trans	26.8	124.4	134.9	-72.2	-176.1	178	177.9	0	124.9
367	V	30.1	Very low	25.6	Very low	130 Å²	130	138.6 Å²	138.6	79%	0.788	79%	0.788	S	S	*	*				47.2	128.2	123.1	-168.2	0	0	0	0	122.2
368	P	34.5	Very low	25.5	Very low	107 Å²	107	141.5 Å²	141.5	70%	0.695	79%	0.788	S	S	*	*				-136.3	137.4	129.9	35.5	-21.4	0	0	0	114.3
369	Q	26	Very low	25.3	Very low	190 Å²	190	139.2 Å²	139.2	89%	0.888	78%	0.777	S	S	*	*				67.8	148.9	102.7	-59	178.9	-8.3	0	0	116.5
370	G	25.4	Very low	25.3	Very low	70 Å²	70	140.2 Å²	140.2	72%	0.722	78%	0.778	S	S	*	*			cis	176.9	-167.8	2.2	0	0	0	0	0	109.3
371	V	25.2	Very low	25.2	Very low	132 Å²	132	139.1 Å²	139.1	80%	0.8	77%	0.773	S	S	*	*			cis	-171.1	153.4	-11	112.9	0	0	0	0	110.1
372	S	24.6	Very low	25.2	Very low	108 Å²	108	144.3 Å²	144.3	76%	0.755	78%	0.778	S	S	*	*			trans	71.3	162.7	171.1	81.5	0	0	0	0	117.7
373	K	24.3	Very low	25.2	Very low	198 Å²	198	143.2 Å²	143.2	86%	0.861	77%	0.773	S	S	*	*			cis	-158.7	157.7	9.2	-146.8	171.8	-175.9	-178.6	0	112.4
374	E	22.8	Very low	25.2	Very low	173 Å²	173	147.8 Å²	147.8	81%	0.808	78%	0.775	S	S	*	*			trans	-89.3	168.6	164.7	-126.6	-179.9	-124	0	0	110.2
375	P	33.3	Very low	25.7	Very low	116 Å²	116	145.6 Å²	145.6	75%	0.753	77%	0.768	S	S	*	*				-155.3	161.9	61.3	41.8	-21.2	0	0	0	119.6
376	G	22.3	Very low	25.7	Very low	67 Å²	67	140.9 Å²	140.9	69%	0.691	77%	0.765	S	S	*	*			trans	61.6	-175.7	143.3	0	0	0	0	0	120.9
377	Q	22.4	Very low	25.6	Very low	168 Å²	168	136.7 Å²	136.7	79%	0.785	76%	0.758	S	S	*	*			cis	-175.9	143.2	-40	-150	-170.4	-38.9	0	0	107.9
378	L	23.2	Very low	25.3	Very low	124 Å²	124	140.1 Å²	140.1	65%	0.649	76%	0.762	S	S	*	*			trans	63.2	165.4	170.7	-49.2	174.9	0	0	0	114.1
379	E	23	Very low	24.7	Very low	148 Å²	148	144.2 Å²	144.2	69%	0.692	77%	0.769	S	S	*	*			cis	-138.5	-165	-15.2	-129.8	127.7	-150.1	0	0	105
380	D	23.6	Very low	24.6	Very low	151 Å²	151	139.7 Å²	139.7	81%	0.807	76%	0.764	S	S	*	*			cis	-128.9	-111.5	9.6	-49.6	-102.7	0	0	0	111.2
381	E	24.8	Very low	24.5	Very low	183 Å²	183	144.5 Å²	144.5	86%	0.855	77%	0.773	S	S	*	*			trans	-142.1	-176.9	-170.6	-56.6	179.9	131.3	0	0	107.6
382	E	25.4	Very low	24.5	Very low	179 Å²	179	143.2 Å²	143.2	84%	0.836	77%	0.77	S	S	*	*			cis	-130.4	-169.8	8.2	-57.8	176.9	85.9	0	0	107.9
383	E	24.5	Very low	24.9	Very low	181 Å²	181	143.9 Å²	143.9	85%	0.846	77%	0.772	S	S	*	*			cis	-138.5	148	4.5	-77.2	-177.5	78.4	0	0	111.1
384	E	25.6	Very low	24.9	Very low	169 Å²	169	138.4 Å²	138.4	79%	0.79	76%	0.763	S	S	*	*			trans	-140.2	160.3	138	-119.4	-138.2	-130.6	0	0	104.9	S386	E384-S386 PolarHBondContact OE2-N 3.18Å
385	P	33.3	Very low	25.1	Very low	97 Å²	97	139.5 Å²	139.5	63%	0.63	77%	0.768	S	S	*	*			cis	-158	179.8	44.7	44.5	-23.5	0	0	0	119.7
386	S	21.7	Very low	24.7	Very low	96 Å²	96	138.4 Å²	138.4	67%	0.671	77%	0.769	S	S	*	*			trans	71.3	167.9	146.4	93.1	0	0	0	0	117.4	E384	E384-S386 PolarHBondContact OE2-N 3.18Å
387	S	21.3	Very low	24.9	Very low	84 Å²	84	140.6 Å²	140.6	59%	0.587	77%	0.774	S	S	*	*			cis	-156.8	162.3	-11.4	29.9	0	0	0	0	106.8
388	F	23.2	Very low	25	Very low	202 Å²	202	140.8 Å²	140.8	89%	0.886	78%	0.78	S	S	*	*				-155.9	178.6	50.6	-109.7	-84.6	0	0	0	112.8
389	K	22.3	Very low	25.1	Very low	193 Å²	193	139.5 Å²	139.5	84%	0.839	79%	0.787	S	S	*	*			trans	-82.9	147	-177.6	-65.6	177.4	178.5	176	0	113.4
390	A	25.2	Very low	25.3	Very low	94 Å²	94	138 Å²	138	78%	0.777	79%	0.793	S	S	*	*			trans	31.5	132.9	137.8	0	0	0	0	0	120.7
391	D	22.6	Very low	25.4	Very low	171 Å²	171	138.5 Å²	138.5	91%	0.914	80%	0.795	S	S	*	*				-139.1	159.9	123.1	-118.6	-31.3	0	0	0	110.1
392	S	26	Very low	25.8	Very low	105 Å²	105	134.8 Å²	134.8	73%	0.734	79%	0.787	S	S	*	*			trans	-154.2	136.7	175	-179.5	0	0	0	0	111.4
393	P	32.5	Very low	26.2	Very low	122 Å²	122	135.1 Å²	135.1	79%	0.792	79%	0.789	S	S	*	*			trans	-134.2	122.3	140.4	34.1	-20.9	0	0	0	113.7
394	A	25.1	Very low	26.3	Very low	83 Å²	83	135.8 Å²	135.8	69%	0.686	79%	0.792	S	S	*	*			trans	56.2	135.1	131	0	0	0	0	0	123.4
395	E	25.4	Very low	26.7	Very low	196 Å²	196	133.9 Å²	133.9	92%	0.916	79%	0.786	S	S	*	*			trans	85.6	150.5	148.5	-73.1	-178.8	-179.3	0	0	122.6
396	A	25.7	Very low	26.8	Very low	93 Å²	93	132.6 Å²	132.6	77%	0.769	78%	0.778	S	S	*	*			trans	83.1	73.7	169.1	0	0	0	0	0	121.3
397	S	25.5	Very low	27.5	Very low	114 Å²	114	132.1 Å²	132.1	80%	0.797	77%	0.771	S	S	*	*				60.8	92.8	124.5	-54.3	0	0	0	0	122.7
398	L	24.7	Very low	28.2	Very low	171 Å²	171	128.6 Å²	128.6	90%	0.895	75%	0.746	S	S	*	*				42.5	100.4	126.1	-63.3	171.3	0	0	0	119.9
399	A	26.1	Very low	29	Very low	97 Å²	97	120.1 Å²	120.1	80%	0.802	71%	0.712	S	S	*	*			trans	-108.9	172.1	142.8	0	0	0	0	0	109.4
400	S	26.8	Very low	29.8	Very low	118 Å²	118	112.9 Å²	112.9	83%	0.825	68%	0.68	S	S	*	*			trans	-140.4	151.1	-180	-63.8	0	0	0	0	112.6
401	D	25.1	Very low	30.5	Very low	160 Å²	160	109.8 Å²	109.8	86%	0.856	65%	0.653	S	S	*	*			trans	-67.4	159.2	-150.4	-89.7	-49.5	0	0	0	118.7
402	P	33.4	Very low	31.4	Very low	106 Å²	106	103.4 Å²	103.4	69%	0.688	62%	0.621	S	S	*	*			trans	-111.7	89	-177.3	39.2	-26.7	0	0	0	114.2
403	H	34.9	Very low	31.9	Very low	186 Å²	186	102 Å²	102	86%	0.861	61%	0.605	S	S	*	*			trans	-148.8	80.7	170	-87	-56.5	0	0	0	114.4
404	E	26.5	Very low	32.6	Very low	194 Å²	194	98.2 Å²	98.2	91%	0.907	58%	0.581	S	S	*	*			trans	-137.8	126.1	152.6	-74.7	-160.4	150.7	0	0	110.3
405	L	33.2	Very low	33.5	Very low	129 Å²	129	96.1 Å²	96.1	68%	0.675	56%	0.558	S	S	*	*	P	Polyproline II helix	trans	-96.8	117.9	170.4	-77.6	167.4	0	0	0	108.9	T407	L405-T407 PolarHBondContact O-N 2.99Å
406	P	35	Very low	34.4	Very low	71 Å²	71	94.9 Å²	94.9	46%	0.461	55%	0.545	S	S	.	.	P	Polyproline II helix	trans	-64.6	131.1	-179.8	-25.5	35	0	0	0	113.5
407	T	37.3	Very low	35.3	Very low	86 Å²	86	95.8 Å²	95.8	53%	0.528	54%	0.536	S	S	.	.	P	Polyproline II helix	trans	-78	146	177.3	38.7	0	0	0	0	112.8	L405 K418 E928	L405-T407 PolarHBondContact O-N 2.99Å; T407-K418 PolarHBondContact O-NZ 2.78Å; T407-K418 WeakPolarHBondContact OG1-CE 3.33Å; T407-K418 PolarHBondContact OG1-NZ 2.68Å; T407-E928 WeakPolarHBondContact CB-OE1 3.38Å
408	T	35.5	Very low	36.4	Very low	10 Å²	10	93.6 Å²	93.6	6%	0.061	51%	0.512	C	S	.	.			trans	-95.3	13.5	-169	52.4	0	0	0	0	114.7	F410 R893 E928	T408-F410 WeakPolarHBondContact O-CD1 3.37Å; T408-F410 VanDerWaalsContact O-CD2 3.24Å; T408-F410 WeakPolarHBondContact O-CD2 3.47Å; T408-F410 WeakPolarHBondContact O-CE1 3.42Å; T408-F410 WeakPolarHBondContact O-CE2 3.41Å; T408-F410 VanDerWaalsContact O-CG 3.22Å; T408-F410 WeakPolarHBondContact O-CG 3.44Å; T408-F410 WeakPolarHBondContact O-CZ 3.47Å; T408-F410 PolarHBondContact O-N 2.79Å; T408-R893 PolarHBondContact O-NH1 3.01Å; T408-E928 WeakPolarHBondContact CA-OE1 3.33Å; T408-E928 PolarHBondContact N-OE1 2.92Å; T408-E928 WeakPolarHBondContact OG1-CB 3.13Å; T408-E928 WeakPolarHBondContact OG1-CG 3.18Å; T408-E928 PolarHBondContact OG1-N 3.47Å
409	S	39.8	Very low	37.5	Very low	24 Å²	24	91 Å²	91	17%	0.168	49%	0.494	C	S	.	.			trans	-45.3	125.6	174.5	70.4	0	0	0	0	115.2	C414 K418 R893 E928	S409-C414 WeakPolarHBondContact OG-CB 3.49Å; S409-K418 WeakPolarHBondContact OG-CE 3.49Å; S409-K418 PolarHBondContact OG-NZ 3.33Å; S409-R893 PolarHBondContact O-NH1 3.31Å; S409-E928 VanDerWaalsContact CA-OE2 3.23Å; S409-E928 WeakPolarHBondContact CA-OE2 3.28Å; S409-E928 PolarHBondContact N-OE1 3.16Å; S409-E928 PolarHBondContact N-OE2 3.17Å
410	F	40.3	Very low	38.9	Very low	40 Å²	40	91.1 Å²	91.1	18%	0.175	48%	0.476	C	S	.	.			trans	-98.4	-4.8	-165.5	-60	-66.2	0	0	0	117	T408 A889 V890 R893 Y929	T408-F410 WeakPolarHBondContact O-CD1 3.37Å; T408-F410 VanDerWaalsContact O-CD2 3.24Å; T408-F410 WeakPolarHBondContact O-CD2 3.47Å; T408-F410 WeakPolarHBondContact O-CE1 3.42Å; T408-F410 WeakPolarHBondContact O-CE2 3.41Å; T408-F410 VanDerWaalsContact O-CG 3.22Å; T408-F410 WeakPolarHBondContact O-CG 3.44Å; T408-F410 WeakPolarHBondContact O-CZ 3.47Å; T408-F410 PolarHBondContact O-N 2.79Å; F410-A889 HydrophobicContact CB-CB 4.06Å; F410-A889 HydrophobicContact CD1-CB 3.14Å; F410-A889 VanDerWaalsContact CD1-O 3.23Å; F410-A889 WeakPolarHBondContact CD1-O 3.43Å; F410-A889 HydrophobicContact CD2-CB 3.6Å; F410-A889 HydrophobicContact CE1-CB 3.33Å; F410-A889 HydrophobicContact CE2-CB 3.75Å; F410-A889 HydrophobicContact CG-CB 3.3Å; F410-A889 HydrophobicContact CZ-CB 3.62Å; F410-V890 HydrophobicContact CE1-CG2 4.14Å; F410-R893 HydrophobicContact CD1-CG 4.29Å; F410-Y929 HydrophobicContact CD2-CD2 4.4Å; F410-Y929 AromaticContact CD2-CE2 3.68Å; F410-Y929 HydrophobicContact CD2-CE2 3.68Å; F410-Y929 AromaticContact CE2-CD2 3.69Å; F410-Y929 HydrophobicContact CE2-CD2 3.69Å; F410-Y929 AromaticContact CE2-CE2 3.41Å; F410-Y929 HydrophobicContact CE2-CE2 3.41Å; F410-Y929 VanDerWaalsContact CE2-CE2 3.41Å; F410-Y929 HydrophobicContact CZ-CE2 4.48Å
411	C	40.4	Very low	40.8	Very low	30 Å²	30	89.4 Å²	89.4	20%	0.203	46%	0.461	C	S	.	.			trans	-72.4	133.8	179	-179.3	0	0	0	0	112.2	Q238 N413 C414 I415	Q238-C411 PolarHBondContact OE1-SG 3.43Å; Q238-C411 VanDerWaalsContact OE1-SG 3.35Å; C411-N413 PolarHBondContact O-N 2.71Å; C411-N413 VanDerWaalsContact O-N 3.14Å; C411-C414 HydrophobicContact CB-CB 4.34Å; C411-C414 WeakPolarHBondContact O-CA 3.12Å; C411-C414 VanDerWaalsContact O-CB 3.31Å; C411-C414 WeakPolarHBondContact O-CB 3.4Å; C411-C414 PolarHBondContact O-N 2.92Å; C411-I415 PolarHBondContact O-N 2.69Å
412	P	39.5	Very low	42.2	Very low	37 Å²	37	88.8 Å²	88.8	24%	0.24	45%	0.446	C	S	.	.	H	α-helix	trans	-48.6	-37	171.3	-35	39.6	0	0	0	115.2	C414 I415 R416 Y896	P412-C414 VanDerWaalsContact C-N 3.33Å; P412-I415 WeakPolarHBondContact O-CB 3.26Å; P412-I415 PolarHBondContact O-N 2.75Å; P412-R416 WeakPolarHBondContact O-CG 3.37Å; P412-R416 PolarHBondContact O-N 3.13Å; P412-Y896 HydrophobicContact CB-CD1 3.95Å; P412-Y896 HydrophobicContact CB-CD2 4.44Å; P412-Y896 HydrophobicContact CB-CE1 3.52Å; P412-Y896 HydrophobicContact CB-CE2 4Å; P412-Y896 HydrophobicContact CB-CG 4.41Å; P412-Y896 HydrophobicContact CG-CD1 3.99Å; P412-Y896 HydrophobicContact CG-CD2 3.72Å; P412-Y896 HydrophobicContact CG-CE1 3.89Å; P412-Y896 HydrophobicContact CG-CE2 3.56Å; P412-Y896 HydrophobicContact CG-CG 3.93Å
413	N	38.2	Very low	43.4	Very low	76 Å²	76	87.3 Å²	87.3	41%	0.406	43%	0.43	S	S	.	.	H	α-helix	trans	-69.4	-32.3	177.5	-65.1	-36.1	0	0	0	111.6	C411 R416 L417	C411-N413 PolarHBondContact O-N 2.71Å; C411-N413 VanDerWaalsContact O-N 3.14Å; N413-R416 PolarHBondContact O-N 3.22Å; N413-L417 WeakPolarHBondContact O-CB 3.47Å; N413-L417 PolarHBondContact O-N 3.27Å
414	C	45.5	Very low	44.7	Very low	41 Å²	41	82.6 Å²	82.6	28%	0.277	41%	0.411	S	S	.	.	H	α-helix	trans	-68.3	-33.1	171.3	-59.6	0	0	0	0	112.3	S409 C411 P412 K418	S409-C414 WeakPolarHBondContact OG-CB 3.49Å; C411-C414 HydrophobicContact CB-CB 4.34Å; C411-C414 WeakPolarHBondContact O-CA 3.12Å; C411-C414 VanDerWaalsContact O-CB 3.31Å; C411-C414 WeakPolarHBondContact O-CB 3.4Å; C411-C414 PolarHBondContact O-N 2.92Å; P412-C414 VanDerWaalsContact C-N 3.33Å; C414-K418 VanDerWaalsContact O-CB 3.31Å; C414-K418 WeakPolarHBondContact O-CB 3.37Å; C414-K418 VanDerWaalsContact O-CG 3.26Å; C414-K418 WeakPolarHBondContact O-CG 3.43Å; C414-K418 PolarHBondContact O-N 3Å
415	I	45.8	Very low	46.5	Very low	40 Å²	40	77.5 Å²	77.5	21%	0.205	39%	0.387	C	S	.	.	H	α-helix	trans	-65	-48.5	171.8	-46.8	176	0	0	0	110.2	C411 P412 L417 K418 K419 R893	C411-I415 PolarHBondContact O-N 2.69Å; P412-I415 WeakPolarHBondContact O-CB 3.26Å; P412-I415 PolarHBondContact O-N 2.75Å; I415-L417 VanDerWaalsContact C-N 3.3Å; I415-L417 PolarHBondContact O-N 3.49Å; I415-K418 PolarHBondContact O-N 3.44Å; I415-K419 PolarHBondContact O-N 2.84Å; I415-R893 HydrophobicContact CD1-CB 3.96Å; I415-R893 HydrophobicContact CD1-CG 3.68Å; I415-R893 HydrophobicContact CG1-CG 4.2Å
416	R	44.1	Very low	47.9	Very low	170 Å²	170	74.2 Å²	74.2	64%	0.642	38%	0.379	S	S	*	.	H	α-helix	trans	-60.9	-40.3	177.4	-67.5	169.4	73.1	-173.1	8.4	111.3	P412 N413 K419 K420	P412-R416 WeakPolarHBondContact O-CG 3.37Å; P412-R416 PolarHBondContact O-N 3.13Å; N413-R416 PolarHBondContact O-N 3.22Å; R416-K419 PolarHBondContact O-N 3.02Å; R416-K420 WeakPolarHBondContact O-CB 3.31Å; R416-K420 PolarHBondContact O-N 3.01Å
417	L	45	Very low	49.3	Very low	112 Å²	112	75.5 Å²	75.5	59%	0.586	38%	0.378	S	S	*	.	H	α-helix	trans	-66.5	-46.7	175.2	-172.2	64.9	0	0	0	111.6	N413 I415 K419 K420 V421	N413-L417 WeakPolarHBondContact O-CB 3.47Å; N413-L417 PolarHBondContact O-N 3.27Å; I415-L417 VanDerWaalsContact C-N 3.3Å; I415-L417 PolarHBondContact O-N 3.49Å; L417-K419 VanDerWaalsContact C-N 3.25Å; L417-K419 PolarHBondContact O-N 3.04Å; L417-K420 CarbonylContact O-C 3.56Å; L417-K420 PolarHBondContact O-N 3.41Å; L417-K420 VanDerWaalsContact O-N 3.08Å; L417-V421 WeakPolarHBondContact O-CB 3.48Å; L417-V421 VanDerWaalsContact O-CG2 3.31Å; L417-V421 WeakPolarHBondContact O-CG2 3.42Å; L417-V421 PolarHBondContact O-N 2.69Å
418	K	47.2	Very low	50.3	Low	68 Å²	68	74.6 Å²	74.6	30%	0.296	37%	0.37	S	S	.	.	H	α-helix	trans	-62.8	-28.7	174.8	-75	175.1	174.1	175.9	0	112.8	T407 S409 C414 I415 R422	T407-K418 PolarHBondContact O-NZ 2.78Å; T407-K418 WeakPolarHBondContact OG1-CE 3.33Å; T407-K418 PolarHBondContact OG1-NZ 2.68Å; S409-K418 WeakPolarHBondContact OG-CE 3.49Å; S409-K418 PolarHBondContact OG-NZ 3.33Å; C414-K418 VanDerWaalsContact O-CB 3.31Å; C414-K418 WeakPolarHBondContact O-CB 3.37Å; C414-K418 VanDerWaalsContact O-CG 3.26Å; C414-K418 WeakPolarHBondContact O-CG 3.43Å; C414-K418 PolarHBondContact O-N 3Å; I415-K418 PolarHBondContact O-N 3.44Å; K418-R422 PolarHBondContact O-N 2.69Å
419	K	47.7	Very low	51.7	Low	117 Å²	117	77.4 Å²	77.4	51%	0.509	39%	0.385	S	S	.	.	H	α-helix	trans	-70.4	-49.8	167.9	-169.4	-174	177.9	-170.6	0	111.1	I415 R416 L417 V421 R422 E423	I415-K419 PolarHBondContact O-N 2.84Å; R416-K419 PolarHBondContact O-N 3.02Å; L417-K419 VanDerWaalsContact C-N 3.25Å; L417-K419 PolarHBondContact O-N 3.04Å; K419-V421 VanDerWaalsContact C-N 3.29Å; K419-V421 PolarHBondContact O-N 3.02Å; K419-R422 PolarHBondContact O-N 3.35Å; K419-E423 WeakPolarHBondContact CE-OE1 3.42Å; K419-E423 IonicContact NZ-OE1 3.51Å; K419-E423 WeakPolarHBondContact O-CG 3.33Å; K419-E423 PolarHBondContact O-N 3.42Å
420	K	56	Low	52.5	Low	98 Å²	98	81.1 Å²	81.1	43%	0.426	40%	0.4	S	S	.	.	H	α-helix	trans	-61.4	-35.4	179.2	-163.8	70.6	-133.3	165.9	0	112.6	R416 L417 E423 L424	R416-K420 WeakPolarHBondContact O-CB 3.31Å; R416-K420 PolarHBondContact O-N 3.01Å; L417-K420 CarbonylContact O-C 3.56Å; L417-K420 PolarHBondContact O-N 3.41Å; L417-K420 VanDerWaalsContact O-N 3.08Å; K420-E423 WeakPolarHBondContact CD-OE2 3.42Å; K420-E423 WeakPolarHBondContact CE-OE2 3.48Å; K420-E423 IonicContact NZ-OE2 3.37Å; K420-E423 PolarHBondContact NZ-OE2 2.6Å; K420-E423 PolarHBondContact O-N 3.33Å; K420-L424 HydrophobicContact CG-CD1 4.09Å; K420-L424 HydrophobicContact CG-CG 4.5Å; K420-L424 WeakPolarHBondContact O-CB 3.38Å; K420-L424 VanDerWaalsContact O-CG 3.22Å; K420-L424 WeakPolarHBondContact O-CG 3.34Å; K420-L424 PolarHBondContact O-N 3.03Å
421	V	66.8	Low	53.3	Low	83 Å²	83	85.2 Å²	85.2	50%	0.503	42%	0.424	S	S	.	.	H	α-helix	trans	-64.5	-41.9	172.7	168.5	0	0	0	0	111.1	L417 K419 L424 Q425	L417-V421 WeakPolarHBondContact O-CB 3.48Å; L417-V421 VanDerWaalsContact O-CG2 3.31Å; L417-V421 WeakPolarHBondContact O-CG2 3.42Å; L417-V421 PolarHBondContact O-N 2.69Å; K419-V421 VanDerWaalsContact C-N 3.29Å; K419-V421 PolarHBondContact O-N 3.02Å; V421-L424 PolarHBondContact O-N 3.18Å; V421-Q425 WeakPolarHBondContact O-CB 3.3Å; V421-Q425 PolarHBondContact O-N 3.2Å
422	R	53.5	Low	54.3	Low	147 Å²	147	90 Å²	90	56%	0.555	44%	0.441	S	S	*	.	H	α-helix	trans	-65.3	-40.5	173.1	-80.8	-173	-77.6	173.7	-13.6	112.8	K418 K419 Q425 A426 E914	K418-R422 PolarHBondContact O-N 2.69Å; K419-R422 PolarHBondContact O-N 3.35Å; R422-Q425 PolarHBondContact O-N 2.87Å; R422-A426 WeakPolarHBondContact O-CB 3.16Å; R422-A426 PolarHBondContact O-N 2.96Å; R422-E914 IonicContact NH1-OE1 3.68Å
423	E	59.3	Low	55	Low	74 Å²	74	91.3 Å²	91.3	35%	0.346	45%	0.451	S	S	.	.	H	α-helix	trans	-59.9	-51.7	173.7	-69.2	168.9	-166	0	0	110.9	K419 K420 Q425 A426 E427	K419-E423 WeakPolarHBondContact CE-OE1 3.42Å; K419-E423 IonicContact NZ-OE1 3.51Å; K419-E423 WeakPolarHBondContact O-CG 3.33Å; K419-E423 PolarHBondContact O-N 3.42Å; K420-E423 WeakPolarHBondContact CD-OE2 3.42Å; K420-E423 WeakPolarHBondContact CE-OE2 3.48Å; K420-E423 IonicContact NZ-OE2 3.37Å; K420-E423 PolarHBondContact NZ-OE2 2.6Å; K420-E423 PolarHBondContact O-N 3.33Å; E423-Q425 VanDerWaalsContact C-N 3.32Å; E423-Q425 PolarHBondContact O-N 3.18Å; E423-A426 PolarHBondContact O-N 3.3Å; E423-E427 WeakPolarHBondContact O-CB 3.2Å; E423-E427 PolarHBondContact O-N 3.24Å
424	L	61.6	Low	55.4	Low	88 Å²	88	90.8 Å²	90.8	46%	0.461	46%	0.463	S	S	.	.	H	α-helix	trans	-65	-32.1	178.2	-70.9	166.8	0	0	0	113	K420 V421 L428	K420-L424 HydrophobicContact CG-CD1 4.09Å; K420-L424 HydrophobicContact CG-CG 4.5Å; K420-L424 WeakPolarHBondContact O-CB 3.38Å; K420-L424 VanDerWaalsContact O-CG 3.22Å; K420-L424 WeakPolarHBondContact O-CG 3.34Å; K420-L424 PolarHBondContact O-N 3.03Å; V421-L424 PolarHBondContact O-N 3.18Å; L424-L428 WeakPolarHBondContact O-CB 3.27Å; L424-L428 PolarHBondContact O-N 2.98Å
425	Q	64.3	Low	55.2	Low	87 Å²	87	97.4 Å²	97.4	41%	0.407	49%	0.487	S	S	.	.	H	α-helix	trans	-70.1	-43.9	175.3	-178.5	64.1	41.2	0	0	110.9	V421 R422 E423 E427 L428 D429	V421-Q425 WeakPolarHBondContact O-CB 3.3Å; V421-Q425 PolarHBondContact O-N 3.2Å; R422-Q425 PolarHBondContact O-N 2.87Å; E423-Q425 VanDerWaalsContact C-N 3.32Å; E423-Q425 PolarHBondContact O-N 3.18Å; Q425-E427 VanDerWaalsContact C-N 3.33Å; Q425-E427 PolarHBondContact O-N 2.74Å; Q425-L428 PolarHBondContact O-N 2.94Å; Q425-D429 VanDerWaalsContact NE2-CG 3.29Å; Q425-D429 PolarHBondContact NE2-OD1 3.48Å; Q425-D429 PolarHBondContact NE2-OD2 2.85Å; Q425-D429 WeakPolarHBondContact O-CB 3.23Å; Q425-D429 VanDerWaalsContact O-CG 3.25Å; Q425-D429 PolarHBondContact O-N 2.94Å
426	A	62.6	Low	54.8	Low	60 Å²	60	103.2 Å²	103.2	50%	0.496	52%	0.518	S	S	.	.	H	α-helix	trans	-64.4	-37.6	175	0	0	0	0	0	112.2	R422 E423 D429 M430	R422-A426 WeakPolarHBondContact O-CB 3.16Å; R422-A426 PolarHBondContact O-N 2.96Å; E423-A426 PolarHBondContact O-N 3.3Å; A426-D429 PolarHBondContact O-N 2.86Å; A426-M430 WeakPolarHBondContact O-CB 3.24Å; A426-M430 PolarHBondContact O-N 3.03Å
427	E	64.4	Low	54.3	Low	97 Å²	97	100.6 Å²	100.6	45%	0.453	52%	0.523	S	S	.	.	H	α-helix	trans	-66.6	-43.6	173.8	-171.4	165.7	-132.4	0	0	111.7	E423 Q425 D429 M430 L431	E423-E427 WeakPolarHBondContact O-CB 3.2Å; E423-E427 PolarHBondContact O-N 3.24Å; Q425-E427 VanDerWaalsContact C-N 3.33Å; Q425-E427 PolarHBondContact O-N 2.74Å; E427-D429 PolarHBondContact O-N 3.02Å; E427-M430 WeakPolarHBondContact O-CB 3.45Å; E427-M430 PolarHBondContact O-N 2.53Å; E427-L431 WeakPolarHBondContact O-CG 3.37Å; E427-L431 PolarHBondContact O-N 3.15Å
428	L	58.9	Low	53.7	Low	67 Å²	67	104.1 Å²	104.1	35%	0.351	54%	0.536	S	S	.	.	H	α-helix	trans	-63.5	-38.8	173.8	177.4	64.6	0	0	0	112.4	L424 Q425 L431 K432	L424-L428 WeakPolarHBondContact O-CB 3.27Å; L424-L428 PolarHBondContact O-N 2.98Å; Q425-L428 PolarHBondContact O-N 2.94Å; L428-L431 PolarHBondContact O-N 3.31Å; L428-K432 VanDerWaalsContact O-CG 3.31Å; L428-K432 WeakPolarHBondContact O-CG 3.46Å; L428-K432 PolarHBondContact O-N 3.44Å
429	D	64	Low	53	Low	70 Å²	70	106.1 Å²	106.1	37%	0.374	56%	0.557	S	S	.	*	H	α-helix	trans	-76.1	-29	177.4	-68.3	-27.7	0	0	0	112.2	Q425 A426 E427 K432 S433	Q425-D429 VanDerWaalsContact NE2-CG 3.29Å; Q425-D429 PolarHBondContact NE2-OD1 3.48Å; Q425-D429 PolarHBondContact NE2-OD2 2.85Å; Q425-D429 WeakPolarHBondContact O-CB 3.23Å; Q425-D429 VanDerWaalsContact O-CG 3.25Å; Q425-D429 PolarHBondContact O-N 2.94Å; A426-D429 PolarHBondContact O-N 2.86Å; E427-D429 PolarHBondContact O-N 3.02Å; D429-K432 PolarHBondContact O-N 2.8Å; D429-K432 WeakPolarHBondContact OD1-CD 3.34Å; D429-K432 IonicContact OD1-NZ 3.72Å; D429-K432 PolarHBondContact OD1-NZ 2.86Å; D429-S433 PolarHBondContact O-N 3.41Å
430	M	56.9	Low	52.4	Low	101 Å²	101	106.5 Å²	106.5	50%	0.498	57%	0.571	S	S	.	*	H	α-helix	trans	-63.2	-46.1	166	-173.6	178.1	71.9	0	0	111	A426 E427 K432 S433	A426-M430 WeakPolarHBondContact O-CB 3.24Å; A426-M430 PolarHBondContact O-N 3.03Å; E427-M430 WeakPolarHBondContact O-CB 3.45Å; E427-M430 PolarHBondContact O-N 2.53Å; M430-K432 PolarHBondContact O-N 3.42Å; M430-S433 WeakPolarHBondContact O-CB 3.4Å; M430-S433 PolarHBondContact O-N 3.01Å; M430-S433 VanDerWaalsContact O-N 3.08Å; M430-S433 PolarHBondContact O-OG 3.19Å
431	L	58	Low	51.1	Low	127 Å²	127	108.5 Å²	108.5	67%	0.665	59%	0.591	S	S	*	*	H	α-helix	trans	-63	-39.8	175.6	-71	166.8	0	0	0	112.4	E427 L428 S433 G434	E427-L431 WeakPolarHBondContact O-CG 3.37Å; E427-L431 PolarHBondContact O-N 3.15Å; L428-L431 PolarHBondContact O-N 3.31Å; L431-S433 PolarHBondContact O-N 3.33Å; L431-G434 PolarHBondContact O-N 2.89Å
432	K	60.6	Low	49.4	Very low	131 Å²	131	112 Å²	112	57%	0.57	61%	0.606	S	S	*	*	H	α-helix	trans	-63.6	-26.8	171.9	-72	170.8	-160.5	149.3	0	113.3	L428 D429 M430 G434	L428-K432 VanDerWaalsContact O-CG 3.31Å; L428-K432 WeakPolarHBondContact O-CG 3.46Å; L428-K432 PolarHBondContact O-N 3.44Å; D429-K432 PolarHBondContact O-N 2.8Å; D429-K432 WeakPolarHBondContact OD1-CD 3.34Å; D429-K432 IonicContact OD1-NZ 3.72Å; D429-K432 PolarHBondContact OD1-NZ 2.86Å; M430-K432 PolarHBondContact O-N 3.42Å; K432-G434 PolarHBondContact O-N 3.07Å
433	S	55.5	Low	48.4	Very low	64 Å²	64	110.1 Å²	110.1	45%	0.448	61%	0.613	S	S	.	*	T	Hydrogen-bonded Turn	trans	-73.1	-5.7	-178.9	80.1	0	0	0	0	114.4	D429 M430 L431 K435	D429-S433 PolarHBondContact O-N 3.41Å; M430-S433 WeakPolarHBondContact O-CB 3.4Å; M430-S433 PolarHBondContact O-N 3.01Å; M430-S433 VanDerWaalsContact O-N 3.08Å; M430-S433 PolarHBondContact O-OG 3.19Å; L431-S433 PolarHBondContact O-N 3.33Å; S433-K435 PolarHBondContact O-N 3.28Å
434	G	46.3	Very low	47	Very low	64 Å²	64	112.6 Å²	112.6	66%	0.66	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	72.4	7.2	169.8	0	0	0	0	0	115.9	L431 K432 L436	L431-G434 PolarHBondContact O-N 2.89Å; K432-G434 PolarHBondContact O-N 3.07Å; G434-L436 PolarHBondContact O-N 2.95Å
435	K	40.5	Very low	45.3	Very low	180 Å²	180	117.2 Å²	117.2	78%	0.783	66%	0.655	S	S	*	*			trans	-79.3	112.8	174.4	-70.6	-165.1	173.8	-167.8	0	111	S433	S433-K435 PolarHBondContact O-N 3.28Å
436	L	37.6	Very low	43.4	Very low	162 Å²	162	120 Å²	120	85%	0.848	68%	0.678	S	S	*	*	P	Polyproline II helix	trans	-67.8	141.3	169.5	-84	153.7	0	0	0	111.2	G434	G434-L436 PolarHBondContact O-N 2.95Å
437	P	34.3	Very low	41.6	Very low	116 Å²	116	123.9 Å²	123.9	75%	0.753	69%	0.689	S	S	*	*	P	Polyproline II helix	trans	-68.9	143.3	163.5	-15.6	30.6	0	0	0	111.4
438	E	30.8	Very low	39.8	Very low	185 Å²	185	127.1 Å²	127.1	86%	0.864	70%	0.704	S	S	*	*	P	Polyproline II helix	trans	-74.9	147.3	168.1	-74.1	-174	117.7	0	0	111.5
439	P	33.1	Very low	38.3	Very low	111 Å²	111	131.4 Å²	131.4	72%	0.721	73%	0.727	S	S	*	*	P	Polyproline II helix	trans	-77.1	142	178.1	31.7	-34.5	0	0	0	111.9
440	P	34.6	Very low	36.6	Very low	125 Å²	125	134 Å²	134	81%	0.812	75%	0.747	S	S	*	*	P	Polyproline II helix	trans	-71.3	133.9	176.5	29.2	-34.3	0	0	0	111.9
441	V	29.8	Very low	35.2	Very low	139 Å²	139	136.8 Å²	136.8	84%	0.842	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-77.6	128.7	174.4	177.6	0	0	0	0	110.2
442	L	30.7	Very low	33.5	Very low	157 Å²	157	139.8 Å²	139.8	82%	0.822	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-76	137.9	174.3	-73	168.3	0	0	0	111.7
443	P	32.3	Very low	31.8	Very low	108 Å²	108	138.1 Å²	138.1	70%	0.701	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-66.2	153.4	164.9	-17.1	31.1	0	0	0	111.7
444	P	29.8	Very low	30.7	Very low	126 Å²	126	142.9 Å²	142.9	82%	0.818	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-65.9	139.2	176.9	-19.7	32.7	0	0	0	112.9
445	Q	26.5	Very low	29.9	Very low	185 Å²	185	145.5 Å²	145.5	86%	0.864	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-79.1	148.9	167	-66.5	173.9	-14.9	0	0	110.7
446	V	24.8	Very low	29.3	Very low	146 Å²	146	141.9 Å²	141.9	89%	0.885	80%	0.801	S	S	*	*			trans	-122.7	139.2	162.6	178.8	0	0	0	0	107.3
447	L	24.5	Very low	28.7	Very low	140 Å²	140	139.4 Å²	139.4	73%	0.733	80%	0.804	S	S	*	*			trans	-86.6	141.3	-165.6	-74.1	158.9	0	0	0	114
448	E	25.2	Very low	28.2	Very low	166 Å²	166	139 Å²	139	78%	0.776	80%	0.804	S	S	*	*			trans	48.5	106	140.2	-59.9	-178.7	148.4	0	0	120.6
449	L	28.3	Very low	28	Very low	157 Å²	157	138.5 Å²	138.5	82%	0.822	80%	0.802	S	S	*	*				26.5	139.1	115.1	-75.1	171.2	0	0	0	119.4
450	P	28.9	Very low	27.6	Very low	124 Å²	124	139.1 Å²	139.1	81%	0.805	81%	0.809	S	S	*	*				-133.5	178.2	83.3	39.4	-28.9	0	0	0	116.1
451	E	26.2	Very low	27.1	Very low	159 Å²	159	141.2 Å²	141.2	74%	0.743	81%	0.81	S	S	*	*			trans	-68.5	157.7	-173.6	-52.9	158.5	126.3	0	0	114.2
452	F	23.5	Very low	26.8	Very low	191 Å²	191	141.2 Å²	141.2	84%	0.838	81%	0.81	S	S	*	*				-174	171.5	108.3	-115.2	-95.4	0	0	0	113.3
453	S	23.6	Very low	26.5	Very low	96 Å²	96	139.1 Å²	139.1	67%	0.671	81%	0.808	S	S	*	*			trans	-55.4	173.2	-166.7	-46.8	0	0	0	0	120.4
454	D	33.5	Very low	26	Very low	163 Å²	163	137.3 Å²	137.3	87%	0.872	81%	0.809	S	S	*	*			trans	-42.3	147.7	167.4	-69.1	-58	0	0	0	115.1
455	P	29.9	Very low	26.2	Very low	120 Å²	120	137.9 Å²	137.9	78%	0.779	81%	0.813	S	S	*	*			trans	-127.7	133.3	142.4	35.3	-24.5	0	0	0	113.1
456	A	26.8	Very low	26.1	Very low	104 Å²	104	133.3 Å²	133.3	86%	0.86	81%	0.807	S	S	*	*			trans	-66.5	150.7	157.7	0	0	0	0	0	110.2
457	A	25.3	Very low	26.2	Very low	109 Å²	109	133.3 Å²	133.3	90%	0.901	80%	0.8	S	S	*	*			trans	-115.4	119.5	-178.9	0	0	0	0	0	111.9
458	S	24.2	Very low	26.3	Very low	108 Å²	108	133.2 Å²	133.2	76%	0.755	80%	0.798	S	S	*	*			trans	-133.7	121.6	170.6	58.9	0	0	0	0	110.4
459	E	26.4	Very low	26.4	Very low	174 Å²	174	132 Å²	132	81%	0.813	79%	0.792	S	S	*	*			trans	42.4	145.8	154.4	-55.4	-165.2	152.9	0	0	122.3
460	S	24.1	Very low	26.5	Very low	125 Å²	125	131.2 Å²	131.2	87%	0.874	79%	0.789	S	S	*	*			trans	-135.9	142.4	149.6	62.6	0	0	0	0	110.3
461	M	25.4	Very low	26.6	Very low	169 Å²	169	131.7 Å²	131.7	83%	0.833	79%	0.785	S	S	*	*			trans	-104.1	158.6	-169.9	-70.7	-175.7	164.9	0	0	113.4
462	V	23.8	Very low	26.7	Very low	138 Å²	138	129.6 Å²	129.6	84%	0.836	78%	0.778	S	S	*	*			trans	-176.9	132.2	140.8	142.2	0	0	0	0	107.2
463	S	23.8	Very low	26.9	Very low	114 Å²	114	127.3 Å²	127.3	80%	0.797	77%	0.77	S	S	*	*			cis	-159.9	150.9	-15.7	-85.7	0	0	0	0	109.3
464	G	21.6	Very low	27.1	Very low	70 Å²	70	130.5 Å²	130.5	72%	0.722	78%	0.775	S	S	*	*			trans	-165.1	134.9	170.3	0	0	0	0	0	111.7
465	P	33.9	Very low	27	Very low	138 Å²	138	128.4 Å²	128.4	90%	0.896	77%	0.768	S	S	*	*			trans	-85.2	140.6	-170.1	32.1	-34.4	0	0	0	114.9
466	A	24.9	Very low	26.8	Very low	89 Å²	89	129.7 Å²	129.7	74%	0.736	77%	0.768	S	S	*	*			trans	-50.2	165.5	177.4	0	0	0	0	0	118.2
467	I	26.6	Very low	27.1	Very low	146 Å²	146	129.3 Å²	129.3	75%	0.749	76%	0.759	S	S	*	*				179.4	127.9	113.1	-93.1	164.2	0	0	0	111.1
468	M	27.4	Very low	27.2	Very low	138 Å²	138	128.7 Å²	128.7	68%	0.68	75%	0.754	S	S	*	*			trans	35.4	151.9	139.8	-59.3	150.2	76.6	0	0	120.9
469	E	27.3	Very low	27.4	Very low	140 Å²	140	131 Å²	131	65%	0.654	76%	0.757	S	S	*	*			cis	-167.9	167.2	-1.5	-112.7	160.3	-177.1	0	0	108.4
470	D	29.8	Very low	27.7	Very low	141 Å²	141	130 Å²	130	75%	0.754	75%	0.753	S	S	*	*			trans	49.8	158.4	142.5	-66.3	13.4	0	0	0	123
471	D	30.1	Very low	28	Very low	134 Å²	134	129.8 Å²	129.8	72%	0.717	75%	0.751	S	S	*	*			cis	-162	173.4	-31.1	-165.1	17.6	0	0	0	109.4
472	D	29.4	Very low	28	Very low	114 Å²	114	127.3 Å²	127.3	61%	0.61	75%	0.745	S	S	*	*			trans	4.8	140.6	164.3	-103.4	-23.7	0	0	0	125.5
473	Q	28	Very low	28.2	Very low	144 Å²	144	125.6 Å²	125.6	67%	0.673	74%	0.74	S	S	*	*			trans	65.2	123.8	134.5	-75.7	166.6	52.1	0	0	125.6
474	E	28	Very low	28.2	Very low	162 Å²	162	126.6 Å²	126.6	76%	0.757	74%	0.736	S	S	*	*				83.5	144.2	125.9	-76.6	-156.2	171.8	0	0	126.2
475	V	30.2	Very low	28.5	Very low	120 Å²	120	130.2 Å²	130.2	73%	0.727	74%	0.739	S	S	*	*			trans	67.6	110.1	146.5	-66	0	0	0	0	125.3
476	D	26.7	Very low	28.2	Very low	147 Å²	147	131.8 Å²	131.8	79%	0.786	74%	0.737	S	S	*	*				88.6	150.9	124.6	-125.8	-40.8	0	0	0	124.7
477	S	31.6	Very low	28.7	Very low	96 Å²	96	135.7 Å²	135.7	67%	0.671	74%	0.741	S	S	*	*			trans	75.7	103	141.7	-77.1	0	0	0	0	123.9
478	A	29	Very low	28.7	Very low	96 Å²	96	135.7 Å²	135.7	79%	0.793	75%	0.748	S	S	*	*				64.3	99.1	113	0	0	0	0	0	123.1
479	D	27.3	Very low	29.2	Very low	155 Å²	155	133.8 Å²	133.8	83%	0.829	76%	0.755	S	S	*	*				82.4	155.5	113.5	-127.8	-6.6	0	0	0	125.4
480	E	33	Very low	29.2	Very low	154 Å²	154	133.4 Å²	133.4	72%	0.72	76%	0.762	S	S	*	*			trans	40.6	114.6	162.4	-66.6	-112.3	117.6	0	0	122.9
481	S	29.7	Very low	29.1	Very low	120 Å²	120	133.4 Å²	133.4	84%	0.839	76%	0.762	S	S	*	*				164.8	173.2	117.9	51.3	0	0	0	0	112.3
482	V	26.7	Very low	28.9	Very low	117 Å²	117	134.4 Å²	134.4	71%	0.709	76%	0.762	S	S	*	*				-163.6	131.9	-80.4	140.9	0	0	0	0	108.2
483	S	26.8	Very low	29.8	Very low	102 Å²	102	134 Å²	134	71%	0.713	77%	0.766	S	S	*	*			trans	84.9	130.6	154.9	-92.4	0	0	0	0	125.4
484	N	25.3	Very low	29.8	Very low	135 Å²	135	132.8 Å²	132.8	72%	0.722	77%	0.774	S	S	*	*			trans	90.3	89.8	130.8	-67	20.2	0	0	0	123.9
485	D	25.9	Very low	29.8	Very low	147 Å²	147	134.6 Å²	134.6	79%	0.786	78%	0.779	S	S	*	*				86.2	140.3	104.4	-103.8	-30.3	0	0	0	126.1
486	M	27.9	Very low	29.7	Very low	171 Å²	171	137 Å²	137	84%	0.842	78%	0.784	S	S	*	*			trans	83.4	142.2	149.3	-150.2	122.3	65.8	0	0	122.5
487	M	36.6	Very low	29.7	Very low	170 Å²	170	134.6 Å²	134.6	84%	0.837	78%	0.779	S	S	*	*			trans	-119	157.8	172.5	-85.9	178.9	143.6	0	0	110.7
488	T	26	Very low	30.1	Very low	146 Å²	146	135.8 Å²	135.8	90%	0.896	79%	0.787	S	S	*	*			trans	-137.3	157.5	159	44.9	0	0	0	0	110.7
489	A	37.8	Very low	30.1	Very low	98 Å²	98	136 Å²	136	81%	0.81	79%	0.789	S	S	*	*			trans	-158.1	169.2	-171.7	0	0	0	0	0	113.9
490	T	27.5	Very low	30.4	Very low	132 Å²	132	135.6 Å²	135.6	81%	0.81	79%	0.792	S	S	*	*			trans	-146	176.6	166.9	58.6	0	0	0	0	108
491	D	27.6	Very low	30.8	Very low	141 Å²	141	132 Å²	132	75%	0.754	80%	0.797	S	S	*	*			cis	-146.7	-154.5	3.9	-150	-87.4	0	0	0	110.6
492	E	26.4	Very low	31.2	Very low	155 Å²	155	137.8 Å²	137.8	72%	0.724	80%	0.8	S	S	*	*			trans	-122	-172.5	-170.9	-83.6	-75.4	146.1	0	0	112.2
493	P	46.7	Very low	32.1	Very low	106 Å²	106	143.6 Å²	143.6	69%	0.688	81%	0.809	S	S	*	*			cis	-132.9	165.5	-14.5	18.4	5.8	0	0	0	116.6
494	S	29.1	Very low	33.3	Very low	119 Å²	119	146.8 Å²	146.8	83%	0.832	82%	0.817	S	S	*	*				176.3	156.6	122	45.8	0	0	0	0	116.4
495	K	28.9	Very low	35.1	Very low	200 Å²	200	147.2 Å²	147.2	87%	0.87	81%	0.808	S	S	*	*			trans	-60.1	154.2	-168.3	-61.1	165.3	-179.8	171.3	0	114.2
496	M	28.2	Very low	37.1	Very low	170 Å²	170	150.7 Å²	150.7	84%	0.837	81%	0.81	S	S	*	*				-160.1	155.3	59.7	-76.7	178	60.1	0	0	116.5
497	S	26.7	Very low	39.6	Very low	97 Å²	97	143.7 Å²	143.7	68%	0.678	78%	0.775	S	S	*	*			trans	43	86.5	153.7	62	0	0	0	0	122
498	S	39.2	Very low	41.7	Very low	120 Å²	120	140.3 Å²	140.3	84%	0.839	76%	0.756	S	S	*	*				36.5	104.8	126.8	62.2	0	0	0	0	121.7
499	A	29.5	Very low	44.1	Very low	100 Å²	100	139.2 Å²	139.2	83%	0.826	74%	0.74	S	S	*	*			trans	-153.5	155.8	141.4	0	0	0	0	0	110.4	G501	A499-G501 PolarHBondContact O-N 3.43Å
500	T	32.9	Very low	46	Very low	147 Å²	147	139.4 Å²	139.4	90%	0.902	73%	0.725	S	S	*	*			trans	-62.2	120	-174.6	40	0	0	0	0	113.1
501	G	40.7	Very low	48.8	Very low	79 Å²	79	134 Å²	134	81%	0.814	69%	0.69	S	S	*	*			trans	-74.6	156.4	-165.1	0	0	0	0	0	116.7	A499	A499-G501 PolarHBondContact O-N 3.43Å
502	R	39	Very low	51.2	Low	242 Å²	242	129.6 Å²	129.6	91%	0.913	67%	0.665	S	S	*	*			trans	-112.6	114.8	174.1	-67.1	179	176	-179.3	-0.6	110.2	I504	R502-I504 PolarHBondContact O-N 3.42Å
503	R	45.8	Very low	53.4	Low	238 Å²	238	132 Å²	132	90%	0.898	67%	0.674	S	S	*	*			trans	-57	122	178.8	-66.1	-177.2	-176.7	171.7	0.9	111.6
504	I	52.5	Low	54.9	Low	169 Å²	169	134.4 Å²	134.4	87%	0.867	67%	0.673	S	S	*	*			trans	-63.6	136.4	163.6	-58.3	175.2	0	0	0	107.8	R502	R502-I504 PolarHBondContact O-N 3.42Å
505	R	61.7	Low	57.4	Low	145 Å²	145	129.7 Å²	129.7	55%	0.547	64%	0.638	S	S	.	*			trans	-107.5	139.6	179	-59.3	-177.6	-176.3	-150.9	-2.5	108.4	F552	R505-F552 HydrophobicContact CB-CB 4.35Å; R505-F552 WeakPolarHBondContact CB-O 3.46Å; R505-F552 VanDerWaalsContact CD-O 3.26Å; R505-F552 WeakPolarHBondContact CD-O 3.4Å; R505-F552 WeakPolarHBondContact O-CD2 3.34Å
506	R	69.1	Low	59.9	Low	219 Å²	219	126.2 Å²	126.2	83%	0.826	62%	0.619	S	S	*	*			trans	-90.6	154.9	170.6	-66.6	-178.1	177.2	176.5	-1.8	109.8
507	F	79.9	Confident	62.5	Low	24 Å²	24	118.7 Å²	118.7	11%	0.105	58%	0.582	C	S	.	*			trans	-65.1	156.7	169	-174.4	-104.8	0	0	0	110.5	W511 L512 L518 Y520 M527 F552	F507-W511 HydrophobicContact CD2-CE3 4.09Å; F507-W511 HydrophobicContact CD2-CZ3 4.35Å; F507-W511 AromaticContact CE2-CE3 3.92Å; F507-W511 HydrophobicContact CE2-CE3 3.92Å; F507-W511 HydrophobicContact CZ-CB 4.46Å; F507-L512 HydrophobicContact CE1-CD1 4.21Å; F507-L512 HydrophobicContact CE1-CD2 4.24Å; F507-L512 HydrophobicContact CE1-CG 3.98Å; F507-L512 HydrophobicContact CZ-CD2 3.79Å; F507-L512 HydrophobicContact CZ-CG 3.92Å; F507-L518 HydrophobicContact CE2-CD2 4.01Å; F507-L518 HydrophobicContact CZ-CD2 4.12Å; F507-Y520 HydrophobicContact CB-CD2 3.96Å; F507-Y520 HydrophobicContact CB-CE1 4.38Å; F507-Y520 HydrophobicContact CB-CE2 3.55Å; F507-Y520 AromaticContact CD1-CD1 3.53Å; F507-Y520 HydrophobicContact CD1-CD1 3.53Å; F507-Y520 AromaticContact CD1-CD2 3.69Å; F507-Y520 HydrophobicContact CD1-CD2 3.69Å; F507-Y520 AromaticContact CD1-CE1 3.86Å; F507-Y520 HydrophobicContact CD1-CE1 3.86Å; F507-Y520 HydrophobicContact CD1-CE2 4.01Å; F507-Y520 AromaticContact CD1-CG 3.44Å; F507-Y520 HydrophobicContact CD1-CG 3.44Å; F507-Y520 VanDerWaalsContact CD1-CG 3.44Å; F507-Y520 AromaticContact CD2-CD2 3.92Å; F507-Y520 HydrophobicContact CD2-CD2 3.92Å; F507-Y520 HydrophobicContact CD2-CE2 4.36Å; F507-Y520 HydrophobicContact CD2-CG 4.33Å; F507-Y520 AromaticContact CE1-CD1 3.86Å; F507-Y520 HydrophobicContact CE1-CD1 3.86Å; F507-Y520 HydrophobicContact CE1-CD2 4.16Å; F507-Y520 AromaticContact CE1-CG 3.6Å; F507-Y520 HydrophobicContact CE1-CG 3.6Å; F507-Y520 HydrophobicContact CE2-CD2 4.36Å; F507-Y520 HydrophobicContact CE2-CG 4.45Å; F507-Y520 HydrophobicContact CG-CD1 4.23Å; F507-Y520 AromaticContact CG-CD2 3.56Å; F507-Y520 HydrophobicContact CG-CD2 3.56Å; F507-Y520 HydrophobicContact CG-CE1 4.36Å; F507-Y520 AromaticContact CG-CE2 3.71Å; F507-Y520 HydrophobicContact CG-CE2 3.71Å; F507-Y520 AromaticContact CG-CG 3.84Å; F507-Y520 HydrophobicContact CG-CG 3.84Å; F507-Y520 HydrophobicContact CZ-CD2 4.48Å; F507-Y520 HydrophobicContact CZ-CG 4.12Å; F507-M527 HydrophobicContact CD2-CB 4.28Å; F507-M527 HydrophobicContact CD2-SD 4.16Å; F507-M527 HydrophobicContact CE2-CB 3.98Å; F507-M527 HydrophobicContact CE2-SD 3.93Å; F507-F552 HydrophobicContact CB-CD1 3.91Å; F507-F552 HydrophobicContact CB-CD2 4.09Å; F507-F552 HydrophobicContact CB-CE1 3.94Å; F507-F552 HydrophobicContact CB-CE2 4.13Å; F507-F552 HydrophobicContact CB-CG 3.97Å; F507-F552 HydrophobicContact CB-CZ 4.05Å; F507-F552 AromaticContact CD2-CD1 3.58Å; F507-F552 HydrophobicContact CD2-CD1 3.58Å; F507-F552 AromaticContact CD2-CE1 3.83Å; F507-F552 HydrophobicContact CD2-CE1 3.83Å; F507-F552 HydrophobicContact CD2-CG 4.29Å; F507-F552 HydrophobicContact CG-CD1 4.21Å; F507-F552 HydrophobicContact CG-CE1 4.27Å; F507-F552 VanDerWaalsContact N-CD2 3.34Å
508	K	80.3	Confident	65.3	Low	99 Å²	99	114 Å²	114	43%	0.43	55%	0.549	S	S	.	.			trans	-128.8	114.9	-176.1	-94.9	-143.9	176.9	-164.1	0	109.9	E510 W511	K508-E510 HydrophobicContact CB-CG 3.87Å; K508-E510 HydrophobicContact CD-CG 3.69Å; K508-E510 WeakPolarHBondContact CD-OE1 3.36Å; K508-E510 HydrophobicContact CG-CG 4.42Å; K508-E510 IonicContact NZ-OE1 2.76Å; K508-E510 PolarHBondContact NZ-OE1 3.46Å; K508-E510 IonicContact NZ-OE2 3.6Å; K508-E510 PolarHBondContact NZ-OE2 3.04Å; K508-E510 PolarHBondContact O-N 3.31Å; K508-W511 HydrophobicContact CB-CD2 3.76Å; K508-W511 HydrophobicContact CB-CE3 4.19Å; K508-W511 HydrophobicContact CB-CG 4.15Å; K508-W511 HydrophobicContact CB-CH2 4.28Å; K508-W511 HydrophobicContact CB-CZ2 3.84Å; K508-W511 HydrophobicContact CB-CZ3 4.44Å; K508-W511 HydrophobicContact CD-CZ2 4.12Å; K508-W511 HydrophobicContact CG-CZ2 4.1Å; K508-W511 WeakPolarHBondContact O-CB 3.38Å; K508-W511 PolarHBondContact O-N 3.15Å
509	Q	76.5	Confident	67.5	Low	123 Å²	123	113.7 Å²	113.7	58%	0.575	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-28.6	-174.4	-151.5	71.2	-14.6	0	0	113.5	W511 L512	Q509-W511 PolarHBondContact O-N 2.88Å; Q509-L512 HydrophobicContact CG-CD1 4.37Å; Q509-L512 PolarHBondContact O-N 3.13Å
510	E	78.8	Confident	70.2	Confident	103 Å²	103	111.4 Å²	111.4	48%	0.481	50%	0.5	S	S	.	.	H	α-helix	trans	-51.7	-26.1	170.1	52.5	165.9	-133.4	0	0	113.6	K508 K514	K508-E510 HydrophobicContact CB-CG 3.87Å; K508-E510 HydrophobicContact CD-CG 3.69Å; K508-E510 WeakPolarHBondContact CD-OE1 3.36Å; K508-E510 HydrophobicContact CG-CG 4.42Å; K508-E510 IonicContact NZ-OE1 2.76Å; K508-E510 PolarHBondContact NZ-OE1 3.46Å; K508-E510 IonicContact NZ-OE2 3.6Å; K508-E510 PolarHBondContact NZ-OE2 3.04Å; K508-E510 PolarHBondContact O-N 3.31Å; E510-K514 PolarHBondContact O-N 2.84Å
511	W	84.7	Confident	72.5	Confident	19 Å²	19	105.2 Å²	105.2	7%	0.072	46%	0.463	C	S	.	.	H	α-helix	trans	-75.1	-23.7	-179.5	-59.7	-11.2	0	0	0	112.8	F507 K508 Q509 K514 F515 L518 F552 I554 I557	F507-W511 HydrophobicContact CD2-CE3 4.09Å; F507-W511 HydrophobicContact CD2-CZ3 4.35Å; F507-W511 AromaticContact CE2-CE3 3.92Å; F507-W511 HydrophobicContact CE2-CE3 3.92Å; F507-W511 HydrophobicContact CZ-CB 4.46Å; K508-W511 HydrophobicContact CB-CD2 3.76Å; K508-W511 HydrophobicContact CB-CE3 4.19Å; K508-W511 HydrophobicContact CB-CG 4.15Å; K508-W511 HydrophobicContact CB-CH2 4.28Å; K508-W511 HydrophobicContact CB-CZ2 3.84Å; K508-W511 HydrophobicContact CB-CZ3 4.44Å; K508-W511 HydrophobicContact CD-CZ2 4.12Å; K508-W511 HydrophobicContact CG-CZ2 4.1Å; K508-W511 WeakPolarHBondContact O-CB 3.38Å; K508-W511 PolarHBondContact O-N 3.15Å; Q509-W511 PolarHBondContact O-N 2.88Å; W511-K514 PolarHBondContact O-N 2.87Å; W511-F515 HydrophobicContact CB-CD2 4.21Å; W511-F515 WeakPolarHBondContact O-CB 3.32Å; W511-F515 WeakPolarHBondContact O-CD2 3.34Å; W511-F515 PolarHBondContact O-N 2.67Å; W511-L518 HydrophobicContact CB-CD2 4.28Å; W511-F552 HydrophobicContact CH2-CB 4.37Å; W511-F552 HydrophobicContact CZ3-CB 4Å; W511-I554 HydrophobicContact CH2-CB 4.5Å; W511-I554 HydrophobicContact CZ2-CB 3.94Å; W511-I557 HydrophobicContact CB-CD1 4.47Å; W511-I557 HydrophobicContact CD2-CD1 3.95Å; W511-I557 HydrophobicContact CE3-CD1 3.35Å; W511-I557 HydrophobicContact CG-CD1 4.43Å; W511-I557 HydrophobicContact CZ3-CD1 3.9Å
512	L	78.8	Confident	74.2	Confident	47 Å²	47	106.1 Å²	106.1	25%	0.246	46%	0.455	C	S	.	.	H	α-helix	trans	-68.8	-42	174.5	-60.8	177.4	0	0	0	111	F507 Q509 K514 F515 L518	F507-L512 HydrophobicContact CE1-CD1 4.21Å; F507-L512 HydrophobicContact CE1-CD2 4.24Å; F507-L512 HydrophobicContact CE1-CG 3.98Å; F507-L512 HydrophobicContact CZ-CD2 3.79Å; F507-L512 HydrophobicContact CZ-CG 3.92Å; Q509-L512 HydrophobicContact CG-CD1 4.37Å; Q509-L512 PolarHBondContact O-N 3.13Å; L512-K514 VanDerWaalsContact C-N 3.27Å; L512-K514 PolarHBondContact O-N 3.17Å; L512-F515 CarbonylContact O-C 3.59Å; L512-L518 HydrophobicContact CD2-CB 4.26Å; L512-L518 HydrophobicContact CD2-CD2 4.32Å; L512-L518 HydrophobicContact CD2-CG 4.26Å; L512-L518 WeakPolarHBondContact CD2-O 3.47Å
513	K	72.6	Confident	76	Confident	206 Å²	206	100.9 Å²	100.9	90%	0.896	45%	0.449	S	S	*	.	H	α-helix	trans	-65.1	-29.4	172.5	-67.1	-167.4	176.5	-171.2	0	112.5
514	K	77.9	Confident	77.5	Confident	157 Å²	157	94.5 Å²	94.5	68%	0.683	43%	0.433	S	S	*	.	H	α-helix	trans	-91.9	-18.3	-176.8	-162.6	155.6	-167.7	151.9	0	115.1	E510 W511 L512	E510-K514 PolarHBondContact O-N 2.84Å; W511-K514 PolarHBondContact O-N 2.87Å; L512-K514 VanDerWaalsContact C-N 3.27Å; L512-K514 PolarHBondContact O-N 3.17Å
515	F	82.6	Confident	79	Confident	20 Å²	20	90 Å²	90	9%	0.088	41%	0.411	C	S	.	.			trans	-137.8	81.5	-179.5	-60.5	-78.2	0	0	0	109	W511 L512 F517 L518 I554 I557 K558	W511-F515 HydrophobicContact CB-CD2 4.21Å; W511-F515 WeakPolarHBondContact O-CB 3.32Å; W511-F515 WeakPolarHBondContact O-CD2 3.34Å; W511-F515 PolarHBondContact O-N 2.67Å; L512-F515 CarbonylContact O-C 3.59Å; F515-F517 HydrophobicContact CB-CE1 4.03Å; F515-F517 HydrophobicContact CB-CE2 4.18Å; F515-F517 HydrophobicContact CB-CZ 3.77Å; F515-F517 AromaticContact CD1-CE1 3.98Å; F515-F517 HydrophobicContact CD1-CE1 3.98Å; F515-F517 AromaticContact CD1-CZ 3.69Å; F515-F517 HydrophobicContact CD1-CZ 3.69Å; F515-F517 HydrophobicContact CG-CE1 4.5Å; F515-F517 HydrophobicContact CG-CZ 4.1Å; F515-F517 PolarHBondContact O-N 3.04Å; F515-L518 HydrophobicContact CB-CB 4.12Å; F515-L518 WeakPolarHBondContact O-CB 3.4Å; F515-L518 PolarHBondContact O-N 3.44Å; F515-I554 HydrophobicContact CE2-CD1 4.28Å; F515-I554 HydrophobicContact CE2-CG1 3.99Å; F515-I554 HydrophobicContact CZ-CG1 4.22Å; F515-I557 HydrophobicContact CB-CG2 4.25Å; F515-I557 HydrophobicContact CD1-CG2 3.88Å; F515-I557 HydrophobicContact CD2-CG2 3.73Å; F515-I557 HydrophobicContact CE1-CG2 4.1Å; F515-I557 HydrophobicContact CE2-CB 4.49Å; F515-I557 HydrophobicContact CE2-CG2 3.97Å; F515-I557 HydrophobicContact CG-CG2 3.69Å; F515-I557 HydrophobicContact CZ-CG2 4.14Å; F515-K558 HydrophobicContact CE1-CG 4.19Å; F515-K558 HydrophobicContact CZ-CG 3.87Å
516	W	80.9	Confident	80.3	Confident	126 Å²	126	85.1 Å²	85.1	48%	0.477	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-25.4	-171.6	66.1	-100.7	0	0	0	114.8	L518 R519 H530 V531 L570 Y573	W516-L518 PolarHBondContact O-N 3.36Å; W516-R519 PolarHBondContact O-NH1 2.95Å; W516-H530 AromaticContact CE3-NE2 3.92Å; W516-H530 AromaticContact CZ3-CE1 3.95Å; W516-H530 AromaticContact CZ3-NE2 3.77Å; W516-V531 HydrophobicContact CH2-CG2 3.72Å; W516-V531 HydrophobicContact CZ3-CG2 3.74Å; W516-L570 HydrophobicContact CH2-CD1 3.73Å; W516-L570 HydrophobicContact CZ2-CD1 3.61Å; W516-Y573 AromaticContact CH2-CD1 3.63Å; W516-Y573 HydrophobicContact CH2-CD1 3.63Å; W516-Y573 AromaticContact CH2-CE1 3.27Å; W516-Y573 HydrophobicContact CH2-CE1 3.27Å; W516-Y573 HydrophobicContact CZ2-CE1 4.4Å; W516-Y573 HydrophobicContact CZ3-CD1 4.16Å; W516-Y573 AromaticContact CZ3-CE1 3.39Å; W516-Y573 HydrophobicContact CZ3-CE1 3.39Å; W516-Y573 AromaticContact CZ3-CZ 3.88Å
517	F	81.6	Confident	81.1	Confident	12 Å²	12	74.7 Å²	74.7	5%	0.053	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-11.2	177.6	58.4	-103.5	0	0	0	113.5	F515 C529 H530 V531 I557 H566	F515-F517 HydrophobicContact CB-CE1 4.03Å; F515-F517 HydrophobicContact CB-CE2 4.18Å; F515-F517 HydrophobicContact CB-CZ 3.77Å; F515-F517 AromaticContact CD1-CE1 3.98Å; F515-F517 HydrophobicContact CD1-CE1 3.98Å; F515-F517 AromaticContact CD1-CZ 3.69Å; F515-F517 HydrophobicContact CD1-CZ 3.69Å; F515-F517 HydrophobicContact CG-CE1 4.5Å; F515-F517 HydrophobicContact CG-CZ 4.1Å; F515-F517 PolarHBondContact O-N 3.04Å; F517-C529 HydrophobicContact CD2-CB 4.21Å; F517-C529 CarbonylContact O-C 3.58Å; F517-C529 WeakPolarHBondContact O-CA 3.27Å; F517-H530 PolarHBondContact O-CD2 3.31Å; F517-H530 PolarHBondContact O-N 3.45Å; F517-V531 HydrophobicContact CB-CG2 3.99Å; F517-I557 HydrophobicContact CE2-CG2 4.32Å; F517-I557 HydrophobicContact CZ-CG2 4.3Å; F517-H566 AromaticContact CD1-CE1 3.73Å; F517-H566 AromaticContact CD1-NE2 3.81Å; F517-H566 AromaticContact CD2-CE1 3.69Å; F517-H566 AromaticContact CE1-NE2 3.96Å; F517-H566 AromaticContact CG-CE1 3.57Å
518	L	85.6	Confident	81.5	Confident	0 Å²	0	76.2 Å²	76.2	0%	0	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	141.1	-176.1	-163.6	71.4	0	0	0	110.5	F507 W511 L512 F515 W516 M527 F545 I557	F507-L518 HydrophobicContact CE2-CD2 4.01Å; F507-L518 HydrophobicContact CZ-CD2 4.12Å; W511-L518 HydrophobicContact CB-CD2 4.28Å; L512-L518 HydrophobicContact CD2-CB 4.26Å; L512-L518 HydrophobicContact CD2-CD2 4.32Å; L512-L518 HydrophobicContact CD2-CG 4.26Å; L512-L518 WeakPolarHBondContact CD2-O 3.47Å; F515-L518 HydrophobicContact CB-CB 4.12Å; F515-L518 WeakPolarHBondContact O-CB 3.4Å; F515-L518 PolarHBondContact O-N 3.44Å; W516-L518 PolarHBondContact O-N 3.36Å; L518-M527 HydrophobicContact CD1-CB 4.28Å; L518-M527 HydrophobicContact CD1-CG 4.45Å; L518-M527 HydrophobicContact CD1-SD 4.29Å; L518-M527 HydrophobicContact CD2-SD 4.41Å; L518-F545 HydrophobicContact CD1-CD1 4.24Å; L518-F545 HydrophobicContact CD1-CE1 3.98Å; L518-I557 HydrophobicContact CD2-CD1 3.9Å; L518-I557 HydrophobicContact CD2-CG2 4.38Å
519	R	86	Confident	81.9	Confident	112 Å²	112	71.5 Å²	71.5	42%	0.423	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	156.5	168.9	-65.5	-66.1	178.3	-81.5	-3.1	108.9	W516 M527 W528 H530	W516-R519 PolarHBondContact O-NH1 2.95Å; R519-M527 CarbonylContact O-C 3.57Å; R519-M527 WeakPolarHBondContact O-CA 3.29Å; R519-M527 WeakPolarHBondContact O-CB 3.34Å; R519-W528 HydrophobicContact CB-CD2 4.14Å; R519-W528 HydrophobicContact CB-CH2 4.2Å; R519-W528 HydrophobicContact CB-CZ2 3.66Å; R519-W528 PolarHBondContact N-O 2.82Å; R519-W528 PolarHBondContact O-N 2.73Å; R519-H530 HydrophobicContact CG-CB 4.22Å
520	Y	87	Confident	82.1	Confident	52 Å²	52	67 Å²	67	20%	0.204	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	136.6	-179.1	170.6	-105.5	0	0	0	109.7	F507 P522 N525 E526 M527 F552	F507-Y520 HydrophobicContact CB-CD2 3.96Å; F507-Y520 HydrophobicContact CB-CE1 4.38Å; F507-Y520 HydrophobicContact CB-CE2 3.55Å; F507-Y520 AromaticContact CD1-CD1 3.53Å; F507-Y520 HydrophobicContact CD1-CD1 3.53Å; F507-Y520 AromaticContact CD1-CD2 3.69Å; F507-Y520 HydrophobicContact CD1-CD2 3.69Å; F507-Y520 AromaticContact CD1-CE1 3.86Å; F507-Y520 HydrophobicContact CD1-CE1 3.86Å; F507-Y520 HydrophobicContact CD1-CE2 4.01Å; F507-Y520 AromaticContact CD1-CG 3.44Å; F507-Y520 HydrophobicContact CD1-CG 3.44Å; F507-Y520 VanDerWaalsContact CD1-CG 3.44Å; F507-Y520 AromaticContact CD2-CD2 3.92Å; F507-Y520 HydrophobicContact CD2-CD2 3.92Å; F507-Y520 HydrophobicContact CD2-CE2 4.36Å; F507-Y520 HydrophobicContact CD2-CG 4.33Å; F507-Y520 AromaticContact CE1-CD1 3.86Å; F507-Y520 HydrophobicContact CE1-CD1 3.86Å; F507-Y520 HydrophobicContact CE1-CD2 4.16Å; F507-Y520 AromaticContact CE1-CG 3.6Å; F507-Y520 HydrophobicContact CE1-CG 3.6Å; F507-Y520 HydrophobicContact CE2-CD2 4.36Å; F507-Y520 HydrophobicContact CE2-CG 4.45Å; F507-Y520 HydrophobicContact CG-CD1 4.23Å; F507-Y520 AromaticContact CG-CD2 3.56Å; F507-Y520 HydrophobicContact CG-CD2 3.56Å; F507-Y520 HydrophobicContact CG-CE1 4.36Å; F507-Y520 AromaticContact CG-CE2 3.71Å; F507-Y520 HydrophobicContact CG-CE2 3.71Å; F507-Y520 AromaticContact CG-CG 3.84Å; F507-Y520 HydrophobicContact CG-CG 3.84Å; F507-Y520 HydrophobicContact CZ-CD2 4.48Å; F507-Y520 HydrophobicContact CZ-CG 4.12Å; Y520-P522 HydrophobicContact CD1-CG 4.22Å; Y520-P522 HydrophobicContact CE1-CB 4.16Å; Y520-P522 HydrophobicContact CE1-CG 3.92Å; Y520-N525 PolarHBondContact OH-OD1 3.01Å; Y520-E526 CarbonylContact C-O 3.53Å; Y520-E526 WeakPolarHBondContact CA-O 3.32Å; Y520-E526 VanDerWaalsContact CD2-O 3.28Å; Y520-E526 WeakPolarHBondContact CD2-O 3.45Å; Y520-M527 HydrophobicContact CD2-CB 4.31Å; Y520-F552 HydrophobicContact CD2-CE1 4.28Å; Y520-F552 HydrophobicContact CD2-CZ 4.43Å; Y520-F552 HydrophobicContact CE2-CE1 4.1Å; Y520-F552 AromaticContact CE2-CZ 3.81Å; Y520-F552 HydrophobicContact CE2-CZ 3.81Å
521	S	80.9	Confident	82.2	Confident	17 Å²	17	62.1 Å²	62.1	12%	0.119	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	117.4	171.5	171.8	0	0	0	0	109.3	T523 L524 N525 E526	S521-T523 VanDerWaalsContact C-N 3.31Å; S521-T523 PolarHBondContact O-N 3.38Å; S521-T523 PolarHBondContact OG-N 3.5Å; S521-T523 PolarHBondContact OG-OG1 2.99Å; S521-T523 VanDerWaalsContact OG-OG1 3.07Å; S521-L524 PolarHBondContact OG-N 2.99Å; S521-N525 VanDerWaalsContact O-CA 3.26Å; S521-N525 WeakPolarHBondContact O-CA 3.44Å; S521-N525 PolarHBondContact O-N 2.9Å; S521-E526 PolarHBondContact N-O 3.43Å; S521-E526 PolarHBondContact O-N 3.18Å
522	P	75.7	Confident	82.1	Confident	99 Å²	99	61.2 Å²	61.2	64%	0.643	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-34.6	172.7	-22.2	33.6	0	0	0	113.1	Y520	Y520-P522 HydrophobicContact CD1-CG 4.22Å; Y520-P522 HydrophobicContact CE1-CB 4.16Å; Y520-P522 HydrophobicContact CE1-CG 3.92Å
523	T	76.8	Confident	82.3	Confident	131 Å²	131	64.8 Å²	64.8	80%	0.804	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-36.1	-175.6	53.9	0	0	0	0	112.9	S521	S521-T523 VanDerWaalsContact C-N 3.31Å; S521-T523 PolarHBondContact O-N 3.38Å; S521-T523 PolarHBondContact OG-N 3.5Å; S521-T523 PolarHBondContact OG-OG1 2.99Å; S521-T523 VanDerWaalsContact OG-OG1 3.07Å
524	L	78.5	Confident	82.3	Confident	105 Å²	105	60.8 Å²	60.8	55%	0.55	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-13.3	175	-58.1	178.8	0	0	0	112.8	S521 E526 K550	S521-L524 PolarHBondContact OG-N 2.99Å; L524-E526 HydrophobicContact CB-CB 4.49Å; L524-K550 WeakPolarHBondContact O-CE 3.45Å; L524-K550 PolarHBondContact O-NZ 2.66Å
525	N	83.9	Confident	82	Confident	75 Å²	75	54.9 Å²	54.9	40%	0.401	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	52	52.4	-172.8	-170.7	17.2	0	0	0	111.9	Y520 S521 K550 F552	Y520-N525 PolarHBondContact OH-OD1 3.01Å; S521-N525 VanDerWaalsContact O-CA 3.26Å; S521-N525 WeakPolarHBondContact O-CA 3.44Å; S521-N525 PolarHBondContact O-N 2.9Å; N525-K550 WeakPolarHBondContact O-CG 3.28Å; N525-F552 WeakPolarHBondContact O-CZ 3.2Å; N525-F552 WeakPolarHBondContact OD1-CE2 3.27Å; N525-F552 VanDerWaalsContact OD1-CZ 3.32Å; N525-F552 WeakPolarHBondContact OD1-CZ 3.18Å
526	E	87.3	Confident	81.7	Confident	42 Å²	42	54.7 Å²	54.7	20%	0.196	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	139.4	-176	-76.1	175	-160.6	0	0	111.8	Y520 S521 L524 G548 K550	Y520-E526 CarbonylContact C-O 3.53Å; Y520-E526 WeakPolarHBondContact CA-O 3.32Å; Y520-E526 VanDerWaalsContact CD2-O 3.28Å; Y520-E526 WeakPolarHBondContact CD2-O 3.45Å; S521-E526 PolarHBondContact N-O 3.43Å; S521-E526 PolarHBondContact O-N 3.18Å; L524-E526 HydrophobicContact CB-CB 4.49Å; E526-G548 WeakPolarHBondContact OE2-CA 3.37Å; E526-K550 VanDerWaalsContact CD-CE 3.48Å; E526-K550 HydrophobicContact CG-CD 4.23Å; E526-K550 HydrophobicContact CG-CG 3.76Å; E526-K550 WeakPolarHBondContact OE1-CE 3.25Å; E526-K550 IonicContact OE1-NZ 2.72Å; E526-K550 PolarHBondContact OE1-NZ 2.98Å
527	M	86.6	Confident	80.6	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	144.5	167.3	68.3	177.4	178	0	0	111.4	F507 L518 R519 Y520 F545 S549 Q551 F552 I557	F507-M527 HydrophobicContact CD2-CB 4.28Å; F507-M527 HydrophobicContact CD2-SD 4.16Å; F507-M527 HydrophobicContact CE2-CB 3.98Å; F507-M527 HydrophobicContact CE2-SD 3.93Å; L518-M527 HydrophobicContact CD1-CB 4.28Å; L518-M527 HydrophobicContact CD1-CG 4.45Å; L518-M527 HydrophobicContact CD1-SD 4.29Å; L518-M527 HydrophobicContact CD2-SD 4.41Å; R519-M527 CarbonylContact O-C 3.57Å; R519-M527 WeakPolarHBondContact O-CA 3.29Å; R519-M527 WeakPolarHBondContact O-CB 3.34Å; Y520-M527 HydrophobicContact CD2-CB 4.31Å; M527-F545 HydrophobicContact CE-CE1 3.76Å; M527-F545 HydrophobicContact CE-CZ 3.83Å; M527-F545 HydrophobicContact CG-CE1 4.34Å; M527-F545 HydrophobicContact SD-CE1 4.14Å; M527-S549 WeakPolarHBondContact CG-O 3.45Å; M527-S549 PolarHBondContact N-O 2.67Å; M527-S549 PolarHBondContact O-N 2.75Å; M527-Q551 VanDerWaalsContact CE-O 3.26Å; M527-Q551 WeakPolarHBondContact CE-O 3.39Å; M527-F552 HydrophobicContact CB-CE1 4.16Å; M527-F552 HydrophobicContact CE-CD1 4.11Å; M527-F552 HydrophobicContact CG-CD1 4.07Å; M527-F552 HydrophobicContact CG-CE1 3.89Å; M527-F552 HydrophobicContact SD-CD1 3.84Å; M527-F552 HydrophobicContact SD-CE1 4.27Å; M527-I557 HydrophobicContact CE-CD1 4.29Å; M527-I557 HydrophobicContact CE-CG1 3.97Å; M527-I557 HydrophobicContact SD-CD1 3.78Å; M527-I557 HydrophobicContact SD-CG1 3.97Å
528	W	88.1	Confident	79.4	Confident	55 Å²	55	59.9 Å²	59.9	21%	0.208	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	163.5	173.8	67.8	96.6	0	0	0	110.9	R519 F545	R519-W528 HydrophobicContact CB-CD2 4.14Å; R519-W528 HydrophobicContact CB-CH2 4.2Å; R519-W528 HydrophobicContact CB-CZ2 3.66Å; R519-W528 PolarHBondContact N-O 2.82Å; R519-W528 PolarHBondContact O-N 2.73Å; W528-F545 WeakPolarHBondContact CB-O 3.43Å
529	C	88.8	Confident	77.7	Confident	0 Å²	0	64.9 Å²	64.9	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	114.9	172.8	175.9	0	0	0	0	108.3	F517 V531 C532 R533 F545 H560	F517-C529 HydrophobicContact CD2-CB 4.21Å; F517-C529 CarbonylContact O-C 3.58Å; F517-C529 WeakPolarHBondContact O-CA 3.27Å; C529-V531 VanDerWaalsContact C-N 3.3Å; C529-V531 PolarHBondContact O-N 2.82Å; C529-C532 HydrophobicContact CB-CB 4.11Å; C529-C532 PolarHBondContact O-N 3.15Å; C529-C532 PolarHBondContact SG-N 2.88Å; C529-C532 VanDerWaalsContact SG-N 3.43Å; C529-R533 VanDerWaalsContact O-CB 3.3Å; C529-R533 WeakPolarHBondContact O-CB 3.25Å; C529-R533 PolarHBondContact O-N 2.92Å; C529-F545 HydrophobicContact CB-CB 4.11Å; C529-F545 PolarHBondContact N-O 3.22Å; C529-H560 VanDerWaalsContact CB-NE2 3.26Å; C529-H560 WeakPolarHBondContact CB-NE2 3.49Å; C529-H560 PolarHBondContact SG-NE2 3.38Å; C529-H560 VanDerWaalsContact SG-NE2 3.37Å
530	H	80.6	Confident	76.3	Confident	30 Å²	30	61.8 Å²	61.8	14%	0.139	33%	0.327	C	S	.	.	H	α-helix	trans	-65.5	-36.8	-176.9	74.1	85.4	0	0	0	111.6	W516 F517 R519 R533 Q534	W516-H530 AromaticContact CE3-NE2 3.92Å; W516-H530 AromaticContact CZ3-CE1 3.95Å; W516-H530 AromaticContact CZ3-NE2 3.77Å; F517-H530 PolarHBondContact O-CD2 3.31Å; F517-H530 PolarHBondContact O-N 3.45Å; R519-H530 HydrophobicContact CG-CB 4.22Å; H530-R533 PolarHBondContact O-N 2.95Å; H530-Q534 VanDerWaalsContact O-CB 3.26Å; H530-Q534 WeakPolarHBondContact O-CB 3.4Å; H530-Q534 PolarHBondContact O-N 2.9Å
531	V	81.3	Confident	75.1	Confident	0 Å²	0	65.7 Å²	65.7	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-57.9	-51.6	174.9	175.8	0	0	0	0	111.3	W516 F517 C529 Q534 Y535 C569 L570 Y573	W516-V531 HydrophobicContact CH2-CG2 3.72Å; W516-V531 HydrophobicContact CZ3-CG2 3.74Å; F517-V531 HydrophobicContact CB-CG2 3.99Å; C529-V531 VanDerWaalsContact C-N 3.3Å; C529-V531 PolarHBondContact O-N 2.82Å; V531-Q534 PolarHBondContact O-N 2.9Å; V531-Y535 HydrophobicContact CG1-CD2 4.49Å; V531-Y535 VanDerWaalsContact O-CD2 3.28Å; V531-Y535 WeakPolarHBondContact O-CD2 3.45Å; V531-Y535 PolarHBondContact O-N 3.35Å; V531-C569 HydrophobicContact CG1-CB 3.91Å; V531-C569 WeakPolarHBondContact CG1-O 3.46Å; V531-L570 HydrophobicContact CG1-CB 4.44Å; V531-Y573 HydrophobicContact CG1-CG 4.34Å; V531-Y573 HydrophobicContact CG2-CD1 4.08Å; V531-Y573 HydrophobicContact CG2-CD2 4.32Å; V531-Y573 HydrophobicContact CG2-CE1 4.29Å; V531-Y573 HydrophobicContact CG2-CG 4.08Å
532	C	82.8	Confident	74	Confident	0 Å²	0	71 Å²	71	0%	0	37%	0.373	C	S	.	.	H	α-helix	trans	-69.7	-35.7	177.4	-66.3	0	0	0	0	112.4	C529 Q534 T536 I546 H560	C529-C532 HydrophobicContact CB-CB 4.11Å; C529-C532 PolarHBondContact O-N 3.15Å; C529-C532 PolarHBondContact SG-N 2.88Å; C529-C532 VanDerWaalsContact SG-N 3.43Å; C532-Q534 PolarHBondContact O-N 2.79Å; C532-T536 HydrophobicContact CB-CG2 4.36Å; C532-T536 WeakPolarHBondContact O-CG2 3.49Å; C532-T536 PolarHBondContact O-N 2.89Å; C532-T536 PolarHBondContact O-OG1 2.82Å; C532-T536 VanDerWaalsContact O-OG1 3.04Å; C532-I546 HydrophobicContact CB-CG1 4.1Å; C532-H560 PolarHBondContact SG-CE1 3.35Å
533	R	83	Confident	73.9	Confident	122 Å²	122	68 Å²	68	46%	0.46	36%	0.355	S	S	.	.	H	α-helix	trans	-63.7	-28.5	177.8	-170.7	170.7	-175.7	146.8	5	113.2	C529 H530 I546 I547	C529-R533 VanDerWaalsContact O-CB 3.3Å; C529-R533 WeakPolarHBondContact O-CB 3.25Å; C529-R533 PolarHBondContact O-N 2.92Å; H530-R533 PolarHBondContact O-N 2.95Å; R533-I546 VanDerWaalsContact CD-O 3.28Å; R533-I546 WeakPolarHBondContact CD-O 3.34Å; R533-I546 VanDerWaalsContact CG-O 3.31Å; R533-I546 WeakPolarHBondContact CG-O 3.27Å; R533-I547 PolarHBondContact NH1-O 3.47Å
534	Q	72.5	Confident	73.7	Confident	121 Å²	121	64.1 Å²	64.1	57%	0.565	34%	0.336	S	S	*	.	H	α-helix	trans	-95	-32.6	-176.7	-170.4	174.2	9	0	0	113.8	H530 V531 C532	H530-Q534 VanDerWaalsContact O-CB 3.26Å; H530-Q534 WeakPolarHBondContact O-CB 3.4Å; H530-Q534 PolarHBondContact O-N 2.9Å; V531-Q534 PolarHBondContact O-N 2.9Å; C532-Q534 PolarHBondContact O-N 2.79Å
535	Y	70.8	Confident	73.9	Confident	34 Å²	34	59.7 Å²	59.7	13%	0.133	31%	0.312	C	S	.	.	S	Bend	trans	-119.1	30.6	-170.9	-54.7	-80.1	0	0	0	114.6	V531 C569 Y573	V531-Y535 HydrophobicContact CG1-CD2 4.49Å; V531-Y535 VanDerWaalsContact O-CD2 3.28Å; V531-Y535 WeakPolarHBondContact O-CD2 3.45Å; V531-Y535 PolarHBondContact O-N 3.35Å; Y535-C569 PolarHBondContact O-SG 2.91Å; Y535-Y573 HydrophobicContact CD2-CD2 4.33Å; Y535-Y573 AromaticContact CE2-CD2 3.53Å; Y535-Y573 HydrophobicContact CE2-CD2 3.53Å; Y535-Y573 HydrophobicContact CE2-CE2 4.39Å; Y535-Y573 HydrophobicContact CE2-CG 4.32Å
536	T	76.1	Confident	73.6	Confident	15 Å²	15	56.6 Å²	56.6	9%	0.092	30%	0.296	C	S	.	.			trans	-107.7	133.4	169.4	56.1	0	0	0	0	112.9	C532 I546 L565 C569	C532-T536 HydrophobicContact CB-CG2 4.36Å; C532-T536 WeakPolarHBondContact O-CG2 3.49Å; C532-T536 PolarHBondContact O-N 2.89Å; C532-T536 PolarHBondContact O-OG1 2.82Å; C532-T536 VanDerWaalsContact O-OG1 3.04Å; T536-I546 HydrophobicContact CG2-CD1 3.77Å; T536-I546 HydrophobicContact CG2-CG1 4.3Å; T536-L565 HydrophobicContact CG2-CD1 4.04Å; T536-L565 HydrophobicContact CG2-CD2 4.39Å; T536-L565 HydrophobicContact CG2-CG 4.27Å; T536-C569 WeakPolarHBondContact CG2-SG 3.1Å
537	V	59.1	Low	73.1	Confident	97 Å²	97	59.6 Å²	59.6	59%	0.588	31%	0.312	S	S	*	.			trans	-57.6	147.3	172.7	-158.4	0	0	0	0	110.9	S539 S540	V537-S539 VanDerWaalsContact C-N 3.27Å; V537-S539 PolarHBondContact O-N 3.24Å; V537-S539 VanDerWaalsContact O-N 3.14Å; V537-S540 PolarHBondContact O-N 3.08Å
538	Q	55.6	Low	72.7	Confident	150 Å²	150	60.4 Å²	60.4	70%	0.701	32%	0.32	S	S	*	.	G	3₁₀ helix	trans	-53.6	-38.5	-171	-70.6	-177.8	-12.1	0	0	114.1	S540 R541	Q538-S540 PolarHBondContact O-N 2.78Å; Q538-R541 WeakPolarHBondContact O-CG 3.45Å; Q538-R541 PolarHBondContact O-N 2.79Å
539	S	49.9	Very low	72.4	Confident	105 Å²	105	58.2 Å²	58.2	73%	0.734	31%	0.313	S	S	*	.	G	3₁₀ helix	trans	-62	-20	179.1	56.1	0	0	0	0	114.9	V537	V537-S539 VanDerWaalsContact C-N 3.27Å; V537-S539 PolarHBondContact O-N 3.24Å; V537-S539 VanDerWaalsContact O-N 3.14Å
540	S	57	Low	72.1	Confident	48 Å²	48	64.2 Å²	64.2	34%	0.336	34%	0.34	S	S	.	.	G	3₁₀ helix	trans	-103	9.3	-174.1	-61.7	0	0	0	0	114.3	V537 Q538 T542 I546	V537-S540 PolarHBondContact O-N 3.08Å; Q538-S540 PolarHBondContact O-N 2.78Å; S540-T542 PolarHBondContact O-N 2.94Å; S540-T542 VanDerWaalsContact O-N 3.08Å; S540-I546 VanDerWaalsContact O-CD1 3.28Å; S540-I546 WeakPolarHBondContact O-CD1 3.23Å
541	R	61.6	Low	71.9	Confident	134 Å²	134	67.1 Å²	67.1	51%	0.506	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-2.4	-168.6	-75.5	179.2	170.2	-175.5	-5	116	Q538 S543 I546 I547	Q538-R541 WeakPolarHBondContact O-CG 3.45Å; Q538-R541 PolarHBondContact O-N 2.79Å; R541-S543 VanDerWaalsContact C-N 3.29Å; R541-S543 PolarHBondContact O-N 3.41Å; R541-I546 HydrophobicContact CB-CG2 4.43Å; R541-I546 HydrophobicContact CG-CG2 4.38Å; R541-I547 VanDerWaalsContact O-CG1 3.3Å; R541-I547 WeakPolarHBondContact O-CG1 3.41Å
542	T	58.6	Low	72	Confident	127 Å²	127	67.3 Å²	67.3	78%	0.779	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-8.8	-176.6	54.3	0	0	0	0	115.2	S540	S540-T542 PolarHBondContact O-N 2.94Å; S540-T542 VanDerWaalsContact O-N 3.08Å
543	S	73	Confident	72	Confident	38 Å²	38	70.6 Å²	70.6	27%	0.266	37%	0.368	S	S	.	.	S	Bend	trans	-68.1	134.4	-178.9	-165.5	0	0	0	0	112.3	R541 F545 I546 I547	R541-S543 VanDerWaalsContact C-N 3.29Å; R541-S543 PolarHBondContact O-N 3.41Å; S543-F545 PolarHBondContact O-N 3.05Å; S543-I546 WeakPolarHBondContact O-CB 3.39Å; S543-I546 PolarHBondContact O-N 3.01Å; S543-I547 PolarHBondContact O-N 3.42Å
544	A	73.4	Confident	71.9	Confident	49 Å²	49	67.9 Å²	67.9	41%	0.405	36%	0.362	S	S	.	.	H	α-helix	trans	-59.5	-22.2	179.9	0	0	0	0	0	114.2	G548 S549	A544-G548 CarbonylContact O-C 3.48Å; A544-G548 WeakPolarHBondContact O-CA 3.42Å; A544-G548 PolarHBondContact O-N 3.47Å; A544-G548 VanDerWaalsContact O-N 3.15Å; A544-S549 WeakPolarHBondContact O-CB 3.36Å; A544-S549 PolarHBondContact O-N 3.02Å
545	F	81.1	Confident	72.3	Confident	11 Å²	11	68.4 Å²	68.4	5%	0.048	36%	0.364	C	S	.	.	H	α-helix	trans	-86.3	-4.7	173.8	-76.5	-78.2	0	0	0	114.3	L518 M527 W528 C529 S543 T556 I557 H560	L518-F545 HydrophobicContact CD1-CD1 4.24Å; L518-F545 HydrophobicContact CD1-CE1 3.98Å; M527-F545 HydrophobicContact CE-CE1 3.76Å; M527-F545 HydrophobicContact CE-CZ 3.83Å; M527-F545 HydrophobicContact CG-CE1 4.34Å; M527-F545 HydrophobicContact SD-CE1 4.14Å; W528-F545 WeakPolarHBondContact CB-O 3.43Å; C529-F545 HydrophobicContact CB-CB 4.11Å; C529-F545 PolarHBondContact N-O 3.22Å; S543-F545 PolarHBondContact O-N 3.05Å; F545-T556 HydrophobicContact CE2-CG2 3.79Å; F545-T556 HydrophobicContact CZ-CG2 4.06Å; F545-I557 HydrophobicContact CE1-CG1 4.15Å; F545-I557 HydrophobicContact CZ-CB 4.46Å; F545-I557 HydrophobicContact CZ-CG1 3.97Å; F545-H560 HydrophobicContact CD2-CB 3.62Å; F545-H560 AromaticContact CD2-CG 3.52Å; F545-H560 AromaticContact CD2-ND1 3.65Å; F545-H560 HydrophobicContact CE2-CB 3.52Å; F545-H560 AromaticContact CE2-CG 3.94Å; F545-H560 HydrophobicContact CG-CB 4.28Å; F545-H560 AromaticContact CG-CD2 3.97Å; F545-H560 AromaticContact CG-CG 3.77Å; F545-H560 AromaticContact CG-ND1 3.87Å; F545-H560 HydrophobicContact CZ-CB 4.12Å
546	I	78.1	Confident	72.9	Confident	10 Å²	10	68.9 Å²	68.9	5%	0.051	37%	0.371	C	S	.	.	H	α-helix	trans	-91.8	-53.8	172.5	-63.9	166.4	0	0	0	109.1	C532 R533 T536 S540 R541 S543 L565	C532-I546 HydrophobicContact CB-CG1 4.1Å; R533-I546 VanDerWaalsContact CD-O 3.28Å; R533-I546 WeakPolarHBondContact CD-O 3.34Å; R533-I546 VanDerWaalsContact CG-O 3.31Å; R533-I546 WeakPolarHBondContact CG-O 3.27Å; T536-I546 HydrophobicContact CG2-CD1 3.77Å; T536-I546 HydrophobicContact CG2-CG1 4.3Å; S540-I546 VanDerWaalsContact O-CD1 3.28Å; S540-I546 WeakPolarHBondContact O-CD1 3.23Å; R541-I546 HydrophobicContact CB-CG2 4.43Å; R541-I546 HydrophobicContact CG-CG2 4.38Å; S543-I546 WeakPolarHBondContact O-CB 3.39Å; S543-I546 PolarHBondContact O-N 3.01Å; I546-L565 HydrophobicContact CD1-CD2 4.33Å
547	I	77.7	Confident	73.3	Confident	106 Å²	106	68.2 Å²	68.2	54%	0.544	37%	0.367	S	S	.	.	H	α-helix	trans	-71.3	-58.5	-177.7	-53.9	176.5	0	0	0	110.2	R533 R541 S543	R533-I547 PolarHBondContact NH1-O 3.47Å; R541-I547 VanDerWaalsContact O-CG1 3.3Å; R541-I547 WeakPolarHBondContact O-CG1 3.41Å; S543-I547 PolarHBondContact O-N 3.42Å
548	G	78.2	Confident	74.6	Confident	16 Å²	16	68.9 Å²	68.9	17%	0.165	36%	0.362	C	S	.	.			trans	152.1	139.8	-171.6	0	0	0	0	0	110.4	E526 A544	E526-G548 WeakPolarHBondContact OE2-CA 3.37Å; A544-G548 CarbonylContact O-C 3.48Å; A544-G548 WeakPolarHBondContact O-CA 3.42Å; A544-G548 PolarHBondContact O-N 3.47Å; A544-G548 VanDerWaalsContact O-N 3.15Å
549	S	82.1	Confident	75.9	Confident	10 Å²	10	66.6 Å²	66.6	7%	0.07	35%	0.354	C	S	.	.	B	Isolated β-bridge	trans	-132.3	129.5	-176.4	-165	0	0	0	0	113	M527 A544 Q551 F552	M527-S549 WeakPolarHBondContact CG-O 3.45Å; M527-S549 PolarHBondContact N-O 2.67Å; M527-S549 PolarHBondContact O-N 2.75Å; A544-S549 WeakPolarHBondContact O-CB 3.36Å; A544-S549 PolarHBondContact O-N 3.02Å; S549-Q551 VanDerWaalsContact C-N 3.35Å; S549-Q551 PolarHBondContact OG-N 2.83Å; S549-F552 WeakPolarHBondContact O-CE1 3.44Å
550	K	81.2	Confident	77.6	Confident	126 Å²	126	62.2 Å²	62.2	55%	0.548	32%	0.322	S	S	.	.			trans	-91.2	3.8	172.3	-49.1	-164.9	167	162	0	112.7	L524 N525 E526 F552	L524-K550 WeakPolarHBondContact O-CE 3.45Å; L524-K550 PolarHBondContact O-NZ 2.66Å; N525-K550 WeakPolarHBondContact O-CG 3.28Å; E526-K550 VanDerWaalsContact CD-CE 3.48Å; E526-K550 HydrophobicContact CG-CD 4.23Å; E526-K550 HydrophobicContact CG-CG 3.76Å; E526-K550 WeakPolarHBondContact OE1-CE 3.25Å; E526-K550 IonicContact OE1-NZ 2.72Å; E526-K550 PolarHBondContact OE1-NZ 2.98Å; K550-F552 PolarHBondContact O-N 2.93Å
551	Q	77.9	Confident	78.8	Confident	90 Å²	90	61.5 Å²	61.5	42%	0.421	32%	0.317	S	S	.	.			trans	-93.7	75.2	-171.5	-175	60.6	-92.3	0	0	111.6	M527 S549 K553	M527-Q551 VanDerWaalsContact CE-O 3.26Å; M527-Q551 WeakPolarHBondContact CE-O 3.39Å; S549-Q551 VanDerWaalsContact C-N 3.35Å; S549-Q551 PolarHBondContact OG-N 2.83Å; Q551-K553 HydrophobicContact CG-CD 4.1Å; Q551-K553 HydrophobicContact CG-CG 4.43Å; Q551-K553 PolarHBondContact O-N 2.83Å
552	F	82.8	Confident	79.9	Confident	4 Å²	4	61 Å²	61	2%	0.018	32%	0.32	C	S	.	.			trans	-72.8	85.3	-173.1	-52.7	-49.5	0	0	0	113.3	R505 F507 W511 Y520 N525 M527 S549 K550	R505-F552 HydrophobicContact CB-CB 4.35Å; R505-F552 WeakPolarHBondContact CB-O 3.46Å; R505-F552 VanDerWaalsContact CD-O 3.26Å; R505-F552 WeakPolarHBondContact CD-O 3.4Å; R505-F552 WeakPolarHBondContact O-CD2 3.34Å; F507-F552 HydrophobicContact CB-CD1 3.91Å; F507-F552 HydrophobicContact CB-CD2 4.09Å; F507-F552 HydrophobicContact CB-CE1 3.94Å; F507-F552 HydrophobicContact CB-CE2 4.13Å; F507-F552 HydrophobicContact CB-CG 3.97Å; F507-F552 HydrophobicContact CB-CZ 4.05Å; F507-F552 AromaticContact CD2-CD1 3.58Å; F507-F552 HydrophobicContact CD2-CD1 3.58Å; F507-F552 AromaticContact CD2-CE1 3.83Å; F507-F552 HydrophobicContact CD2-CE1 3.83Å; F507-F552 HydrophobicContact CD2-CG 4.29Å; F507-F552 HydrophobicContact CG-CD1 4.21Å; F507-F552 HydrophobicContact CG-CE1 4.27Å; F507-F552 VanDerWaalsContact N-CD2 3.34Å; W511-F552 HydrophobicContact CH2-CB 4.37Å; W511-F552 HydrophobicContact CZ3-CB 4Å; Y520-F552 HydrophobicContact CD2-CE1 4.28Å; Y520-F552 HydrophobicContact CD2-CZ 4.43Å; Y520-F552 HydrophobicContact CE2-CE1 4.1Å; Y520-F552 AromaticContact CE2-CZ 3.81Å; Y520-F552 HydrophobicContact CE2-CZ 3.81Å; N525-F552 WeakPolarHBondContact O-CZ 3.2Å; N525-F552 WeakPolarHBondContact OD1-CE2 3.27Å; N525-F552 VanDerWaalsContact OD1-CZ 3.32Å; N525-F552 WeakPolarHBondContact OD1-CZ 3.18Å; M527-F552 HydrophobicContact CB-CE1 4.16Å; M527-F552 HydrophobicContact CE-CD1 4.11Å; M527-F552 HydrophobicContact CG-CD1 4.07Å; M527-F552 HydrophobicContact CG-CE1 3.89Å; M527-F552 HydrophobicContact SD-CD1 3.84Å; M527-F552 HydrophobicContact SD-CE1 4.27Å; S549-F552 WeakPolarHBondContact O-CE1 3.44Å; K550-F552 PolarHBondContact O-N 2.93Å
553	K	82.8	Confident	81.1	Confident	69 Å²	69	56.8 Å²	56.8	30%	0.3	30%	0.296	S	S	.	.			trans	-134.6	115.9	178.5	-66.9	178.1	174.6	161.9	0	110	Q551 H555 T556 I557	Q551-K553 HydrophobicContact CG-CD 4.1Å; Q551-K553 HydrophobicContact CG-CG 4.43Å; Q551-K553 PolarHBondContact O-N 2.83Å; K553-H555 PolarHBondContact O-N 2.82Å; K553-H555 VanDerWaalsContact O-N 3.15Å; K553-T556 WeakPolarHBondContact O-CA 3.49Å; K553-T556 WeakPolarHBondContact O-CB 3.49Å; K553-T556 PolarHBondContact O-N 2.9Å; K553-I557 PolarHBondContact O-N 3.39Å
554	I	80.8	Confident	81.3	Confident	66 Å²	66	60.9 Å²	60.9	34%	0.338	32%	0.315	S	S	.	.	H	α-helix	trans	-56.2	-32.8	177.5	-167.4	171.3	0	0	0	113.4	W511 F515 T556 I557 K558	W511-I554 HydrophobicContact CH2-CB 4.5Å; W511-I554 HydrophobicContact CZ2-CB 3.94Å; F515-I554 HydrophobicContact CE2-CD1 4.28Å; F515-I554 HydrophobicContact CE2-CG1 3.99Å; F515-I554 HydrophobicContact CZ-CG1 4.22Å; I554-T556 VanDerWaalsContact C-N 3.33Å; I554-T556 PolarHBondContact O-N 3.49Å; I554-I557 PolarHBondContact O-N 2.85Å; I554-K558 PolarHBondContact O-N 3.32Å
555	H	81.3	Confident	81.6	Confident	132 Å²	132	61.3 Å²	61.3	61%	0.611	31%	0.31	S	S	*	.	H	α-helix	trans	-61.6	-39.8	172.9	-173.1	-77.7	0	0	0	112.3	K553 I557 K558 L559	K553-H555 PolarHBondContact O-N 2.82Å; K553-H555 VanDerWaalsContact O-N 3.15Å; H555-I557 VanDerWaalsContact C-N 3.35Å; H555-K558 PolarHBondContact O-N 3.03Å; H555-L559 VanDerWaalsContact O-CB 3.28Å; H555-L559 WeakPolarHBondContact O-CB 3.49Å; H555-L559 PolarHBondContact O-N 2.97Å
556	T	82.8	Confident	81.6	Confident	44 Å²	44	61 Å²	61	27%	0.27	31%	0.308	S	S	.	.	H	α-helix	trans	-69.4	-33.4	178.6	-59	0	0	0	0	111.5	F545 K553 I554 H560	F545-T556 HydrophobicContact CE2-CG2 3.79Å; F545-T556 HydrophobicContact CZ-CG2 4.06Å; K553-T556 WeakPolarHBondContact O-CA 3.49Å; K553-T556 WeakPolarHBondContact O-CB 3.49Å; K553-T556 PolarHBondContact O-N 2.9Å; I554-T556 VanDerWaalsContact C-N 3.33Å; I554-T556 PolarHBondContact O-N 3.49Å; T556-H560 WeakPolarHBondContact O-CB 3.28Å; T556-H560 PolarHBondContact O-N 3.27Å
557	I	84.4	Confident	81.7	Confident	0 Å²	0	65.7 Å²	65.7	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-69.4	-44.9	172.3	-55.6	167.8	0	0	0	110.9	W511 F515 F517 L518 M527 F545 K553 I554 H555 H560 S561	W511-I557 HydrophobicContact CB-CD1 4.47Å; W511-I557 HydrophobicContact CD2-CD1 3.95Å; W511-I557 HydrophobicContact CE3-CD1 3.35Å; W511-I557 HydrophobicContact CG-CD1 4.43Å; W511-I557 HydrophobicContact CZ3-CD1 3.9Å; F515-I557 HydrophobicContact CB-CG2 4.25Å; F515-I557 HydrophobicContact CD1-CG2 3.88Å; F515-I557 HydrophobicContact CD2-CG2 3.73Å; F515-I557 HydrophobicContact CE1-CG2 4.1Å; F515-I557 HydrophobicContact CE2-CB 4.49Å; F515-I557 HydrophobicContact CE2-CG2 3.97Å; F515-I557 HydrophobicContact CG-CG2 3.69Å; F515-I557 HydrophobicContact CZ-CG2 4.14Å; F517-I557 HydrophobicContact CE2-CG2 4.32Å; F517-I557 HydrophobicContact CZ-CG2 4.3Å; L518-I557 HydrophobicContact CD2-CD1 3.9Å; L518-I557 HydrophobicContact CD2-CG2 4.38Å; M527-I557 HydrophobicContact CE-CD1 4.29Å; M527-I557 HydrophobicContact CE-CG1 3.97Å; M527-I557 HydrophobicContact SD-CD1 3.78Å; M527-I557 HydrophobicContact SD-CG1 3.97Å; F545-I557 HydrophobicContact CE1-CG1 4.15Å; F545-I557 HydrophobicContact CZ-CB 4.46Å; F545-I557 HydrophobicContact CZ-CG1 3.97Å; K553-I557 PolarHBondContact O-N 3.39Å; I554-I557 PolarHBondContact O-N 2.85Å; H555-I557 VanDerWaalsContact C-N 3.35Å; I557-H560 WeakPolarHBondContact O-CB 3.35Å; I557-H560 PolarHBondContact O-N 2.99Å; I557-S561 PolarHBondContact O-N 2.71Å
558	K	85.4	Confident	81.6	Confident	111 Å²	111	65.7 Å²	65.7	48%	0.483	33%	0.325	S	S	.	.	H	α-helix	trans	-59.2	-49.3	174.1	-76.1	-172.2	173.5	-169.1	0	111.7	F515 I554 H555 H560 S561 Q562	F515-K558 HydrophobicContact CE1-CG 4.19Å; F515-K558 HydrophobicContact CZ-CG 3.87Å; I554-K558 PolarHBondContact O-N 3.32Å; H555-K558 PolarHBondContact O-N 3.03Å; K558-H560 VanDerWaalsContact C-N 3.28Å; K558-H560 PolarHBondContact O-N 3.02Å; K558-S561 PolarHBondContact O-N 3.42Å; K558-S561 VanDerWaalsContact O-N 3.08Å; K558-S561 PolarHBondContact O-OG 2.89Å; K558-Q562 WeakPolarHBondContact O-CG 3.5Å; K558-Q562 PolarHBondContact O-N 3.17Å
559	L	84.5	Confident	81.5	Confident	103 Å²	103	65 Å²	65	54%	0.539	32%	0.318	S	S	.	.	H	α-helix	trans	-60.2	-38.3	178.3	-166.2	72.9	0	0	0	111.6	H555 Q562 S563	H555-L559 VanDerWaalsContact O-CB 3.28Å; H555-L559 WeakPolarHBondContact O-CB 3.49Å; H555-L559 PolarHBondContact O-N 2.97Å; L559-Q562 PolarHBondContact O-N 2.83Å; L559-S563 PolarHBondContact O-N 3.18Å
560	H	84.7	Confident	81.2	Confident	12 Å²	12	66.3 Å²	66.3	6%	0.056	32%	0.323	C	S	.	.	H	α-helix	trans	-61.7	-49.4	170.6	175.9	69.6	0	0	0	112.1	C529 C532 F545 T556 I557 K558 Q562 S563 H566	C529-H560 VanDerWaalsContact CB-NE2 3.26Å; C529-H560 WeakPolarHBondContact CB-NE2 3.49Å; C529-H560 PolarHBondContact SG-NE2 3.38Å; C529-H560 VanDerWaalsContact SG-NE2 3.37Å; C532-H560 PolarHBondContact SG-CE1 3.35Å; F545-H560 HydrophobicContact CD2-CB 3.62Å; F545-H560 AromaticContact CD2-CG 3.52Å; F545-H560 AromaticContact CD2-ND1 3.65Å; F545-H560 HydrophobicContact CE2-CB 3.52Å; F545-H560 AromaticContact CE2-CG 3.94Å; F545-H560 HydrophobicContact CG-CB 4.28Å; F545-H560 AromaticContact CG-CD2 3.97Å; F545-H560 AromaticContact CG-CG 3.77Å; F545-H560 AromaticContact CG-ND1 3.87Å; F545-H560 HydrophobicContact CZ-CB 4.12Å; T556-H560 WeakPolarHBondContact O-CB 3.28Å; T556-H560 PolarHBondContact O-N 3.27Å; I557-H560 WeakPolarHBondContact O-CB 3.35Å; I557-H560 PolarHBondContact O-N 2.99Å; K558-H560 VanDerWaalsContact C-N 3.28Å; K558-H560 PolarHBondContact O-N 3.02Å; H560-Q562 PolarHBondContact O-N 2.86Å; H560-S563 VanDerWaalsContact O-CB 3.27Å; H560-S563 WeakPolarHBondContact O-CB 3.35Å; H560-S563 PolarHBondContact O-N 2.93Å; H560-S563 PolarHBondContact O-OG 2.98Å; H560-H566 AromaticContact CD2-ND1 3.57Å; H560-H566 AromaticContact CE1-ND1 3.82Å; H560-H566 AromaticContact NE2-CE1 3.98Å; H560-H566 AromaticContact NE2-CG 3.88Å; H560-H566 AromaticContact NE2-ND1 3.06Å; H560-H566 PolarHBondContact NE2-ND1 3.38Å; H560-H566 WeakPolarHBondContact O-CB 3.38Å
561	S	82.9	Confident	80.6	Confident	34 Å²	34	65.6 Å²	65.6	24%	0.238	32%	0.322	C	S	.	.	H	α-helix	trans	-60	-27.7	178.3	70	0	0	0	0	113.9	I557 K558 H566	I557-S561 PolarHBondContact O-N 2.71Å; K558-S561 PolarHBondContact O-N 3.42Å; K558-S561 VanDerWaalsContact O-N 3.08Å; K558-S561 PolarHBondContact O-OG 2.89Å; S561-H566 PolarHBondContact O-CD2 3.49Å
562	Q	83.3	Confident	79.9	Confident	123 Å²	123	64.2 Å²	64.2	58%	0.575	32%	0.317	S	S	*	.	H	α-helix	trans	-87.2	-13.1	176.2	-69.2	174.1	-28.6	0	0	113.5	K558 L559 H560 K567	K558-Q562 WeakPolarHBondContact O-CG 3.5Å; K558-Q562 PolarHBondContact O-N 3.17Å; L559-Q562 PolarHBondContact O-N 2.83Å; H560-Q562 PolarHBondContact O-N 2.86Å; Q562-K567 WeakPolarHBondContact O-CE 3.41Å; Q562-K567 PolarHBondContact O-NZ 2.92Å
563	S	84.1	Confident	79.2	Confident	38 Å²	38	66 Å²	66	27%	0.266	32%	0.324	S	S	.	.	S	Bend	trans	-67.4	147	-176.9	74.7	0	0	0	0	112.6	L559 H560 L565 H566 K567	L559-S563 PolarHBondContact O-N 3.18Å; H560-S563 VanDerWaalsContact O-CB 3.27Å; H560-S563 WeakPolarHBondContact O-CB 3.35Å; H560-S563 PolarHBondContact O-N 2.93Å; H560-S563 PolarHBondContact O-OG 2.98Å; S563-L565 VanDerWaalsContact C-N 3.26Å; S563-L565 PolarHBondContact O-N 3.13Å; S563-H566 PolarHBondContact O-N 3.01Å; S563-H566 WeakPolarHBondContact OG-CB 3.32Å; S563-H566 PolarHBondContact OG-N 2.63Å; S563-K567 WeakPolarHBondContact O-CG 3.21Å; S563-K567 PolarHBondContact O-N 2.79Å
564	N	77	Confident	78.2	Confident	124 Å²	124	68.5 Å²	68.5	66%	0.663	34%	0.335	S	S	*	.	H	α-helix	trans	-63.9	-33	-179.1	-65.5	-12.5	0	0	0	112.2	K567 K568	N564-K567 PolarHBondContact O-N 2.86Å; N564-K568 PolarHBondContact O-N 3.35Å
565	L	79.8	Confident	77	Confident	59 Å²	59	68.9 Å²	68.9	31%	0.309	34%	0.337	S	S	.	.	H	α-helix	trans	-62.6	-47.6	173.6	-173.3	64.4	0	0	0	111.5	T536 I546 S563 K567 K568 C569	T536-L565 HydrophobicContact CG2-CD1 4.04Å; T536-L565 HydrophobicContact CG2-CD2 4.39Å; T536-L565 HydrophobicContact CG2-CG 4.27Å; I546-L565 HydrophobicContact CD1-CD2 4.33Å; S563-L565 VanDerWaalsContact C-N 3.26Å; S563-L565 PolarHBondContact O-N 3.13Å; L565-K567 PolarHBondContact O-N 3.19Å; L565-K568 PolarHBondContact O-N 3.5Å; L565-C569 PolarHBondContact O-N 2.97Å; L565-C569 PolarHBondContact O-SG 3.32Å
566	H	81.6	Confident	75.7	Confident	3 Å²	3	71 Å²	71	1%	0.014	34%	0.34	C	S	.	.	H	α-helix	trans	-62.1	-44.3	176.6	-175.3	86.5	0	0	0	111.8	F517 H560 S561 S563 K568 C569 L570	F517-H566 AromaticContact CD1-CE1 3.73Å; F517-H566 AromaticContact CD1-NE2 3.81Å; F517-H566 AromaticContact CD2-CE1 3.69Å; F517-H566 AromaticContact CE1-NE2 3.96Å; F517-H566 AromaticContact CG-CE1 3.57Å; H560-H566 AromaticContact CD2-ND1 3.57Å; H560-H566 AromaticContact CE1-ND1 3.82Å; H560-H566 AromaticContact NE2-CE1 3.98Å; H560-H566 AromaticContact NE2-CG 3.88Å; H560-H566 AromaticContact NE2-ND1 3.06Å; H560-H566 PolarHBondContact NE2-ND1 3.38Å; H560-H566 WeakPolarHBondContact O-CB 3.38Å; S561-H566 PolarHBondContact O-CD2 3.49Å; S563-H566 PolarHBondContact O-N 3.01Å; S563-H566 WeakPolarHBondContact OG-CB 3.32Å; S563-H566 PolarHBondContact OG-N 2.63Å; H566-K568 PolarHBondContact O-N 3.3Å; H566-C569 PolarHBondContact O-N 3.02Å; H566-L570 WeakPolarHBondContact O-CB 3.25Å; H566-L570 PolarHBondContact O-N 2.93Å
567	K	80.9	Confident	73.5	Confident	109 Å²	109	73 Å²	73	47%	0.474	35%	0.348	S	S	.	.	H	α-helix	trans	-58.1	-45.4	176.5	-72.2	165.1	173	160.2	0	112.3	Q562 S563 N564 L565 L570 Q571	Q562-K567 WeakPolarHBondContact O-CE 3.41Å; Q562-K567 PolarHBondContact O-NZ 2.92Å; S563-K567 WeakPolarHBondContact O-CG 3.21Å; S563-K567 PolarHBondContact O-N 2.79Å; N564-K567 PolarHBondContact O-N 2.86Å; L565-K567 PolarHBondContact O-N 3.19Å; K567-L570 PolarHBondContact O-N 2.87Å; K567-Q571 PolarHBondContact O-N 3.44Å
568	K	75.3	Confident	71.6	Confident	106 Å²	106	78.7 Å²	78.7	46%	0.461	37%	0.374	S	S	.	.	H	α-helix	trans	-62.1	-50.8	175.8	-76	-159.3	174.8	-151.4	0	112.2	N564 L565 H566 L570 Q571 L572 G1142	N564-K568 PolarHBondContact O-N 3.35Å; L565-K568 PolarHBondContact O-N 3.5Å; H566-K568 PolarHBondContact O-N 3.3Å; K568-L570 VanDerWaalsContact C-N 3.25Å; K568-L570 PolarHBondContact O-N 3.27Å; K568-Q571 WeakPolarHBondContact O-CB 3.34Å; K568-Q571 PolarHBondContact O-N 3.04Å; K568-Q571 VanDerWaalsContact O-N 3.13Å; K568-L572 PolarHBondContact O-N 3.12Å; K568-L572 VanDerWaalsContact O-N 3.11Å; K568-G1142 PolarHBondContact NZ-O 3.44Å
569	C	76.3	Confident	69.7	Low	3 Å²	3	77.1 Å²	77.1	2%	0.02	38%	0.375	C	S	.	.	H	α-helix	trans	-62	-34.1	177.9	-60.2	0	0	0	0	112.5	V531 Y535 T536 L565 H566 Y573	V531-C569 HydrophobicContact CG1-CB 3.91Å; V531-C569 WeakPolarHBondContact CG1-O 3.46Å; Y535-C569 PolarHBondContact O-SG 2.91Å; T536-C569 WeakPolarHBondContact CG2-SG 3.1Å; L565-C569 PolarHBondContact O-N 2.97Å; L565-C569 PolarHBondContact O-SG 3.32Å; H566-C569 PolarHBondContact O-N 3.02Å; C569-Y573 WeakPolarHBondContact O-CB 3.33Å; C569-Y573 PolarHBondContact O-N 2.9Å
570	L	76.4	Confident	67.6	Low	36 Å²	36	79.8 Å²	79.8	19%	0.188	39%	0.385	C	S	.	.	H	α-helix	trans	-70.8	-33.3	176	-179.7	60.2	0	0	0	112.5	W516 V531 H566 K567 K568 Y573 K574	W516-L570 HydrophobicContact CH2-CD1 3.73Å; W516-L570 HydrophobicContact CZ2-CD1 3.61Å; V531-L570 HydrophobicContact CG1-CB 4.44Å; H566-L570 WeakPolarHBondContact O-CB 3.25Å; H566-L570 PolarHBondContact O-N 2.93Å; K567-L570 PolarHBondContact O-N 2.87Å; K568-L570 VanDerWaalsContact C-N 3.25Å; K568-L570 PolarHBondContact O-N 3.27Å; L570-Y573 HydrophobicContact CD1-CD1 4.22Å; L570-K574 WeakPolarHBondContact O-CB 3.17Å; L570-K574 VanDerWaalsContact O-CG 3.3Å; L570-K574 WeakPolarHBondContact O-CG 3.37Å; L570-K574 PolarHBondContact O-N 3.3Å
571	Q	67.4	Low	65.7	Low	112 Å²	112	86.3 Å²	86.3	52%	0.523	41%	0.413	S	S	.	.	H	α-helix	trans	-62.8	-50	171.6	-160	77.9	-3.8	0	0	110.4	K567 K568 Y573 K574 L575	K567-Q571 PolarHBondContact O-N 3.44Å; K568-Q571 WeakPolarHBondContact O-CB 3.34Å; K568-Q571 PolarHBondContact O-N 3.04Å; K568-Q571 VanDerWaalsContact O-N 3.13Å; Q571-Y573 VanDerWaalsContact C-N 3.34Å; Q571-Y573 PolarHBondContact O-N 3.17Å; Q571-K574 PolarHBondContact O-N 3.17Å; Q571-L575 WeakPolarHBondContact O-CG 2.96Å; Q571-L575 PolarHBondContact O-N 2.99Å
572	L	63.8	Low	64.6	Low	60 Å²	60	86.6 Å²	86.6	31%	0.314	41%	0.413	S	S	.	.	H	α-helix	trans	-62.2	-38.7	177.1	-65.2	172.5	0	0	0	112.6	K568 L575 R576	K568-L572 PolarHBondContact O-N 3.12Å; K568-L572 VanDerWaalsContact O-N 3.11Å; L572-L575 PolarHBondContact O-N 2.9Å; L572-R576 PolarHBondContact O-N 3.19Å
573	Y	68.4	Low	63.8	Low	42 Å²	42	85.5 Å²	85.5	17%	0.165	41%	0.408	C	S	.	.	H	α-helix	trans	-62.9	-47.5	173.6	179.5	-109.4	0	0	0	111.7	W516 V531 Y535 C569 L570 Q571 L575 R576 M577	W516-Y573 AromaticContact CH2-CD1 3.63Å; W516-Y573 HydrophobicContact CH2-CD1 3.63Å; W516-Y573 AromaticContact CH2-CE1 3.27Å; W516-Y573 HydrophobicContact CH2-CE1 3.27Å; W516-Y573 HydrophobicContact CZ2-CE1 4.4Å; W516-Y573 HydrophobicContact CZ3-CD1 4.16Å; W516-Y573 AromaticContact CZ3-CE1 3.39Å; W516-Y573 HydrophobicContact CZ3-CE1 3.39Å; W516-Y573 AromaticContact CZ3-CZ 3.88Å; V531-Y573 HydrophobicContact CG1-CG 4.34Å; V531-Y573 HydrophobicContact CG2-CD1 4.08Å; V531-Y573 HydrophobicContact CG2-CD2 4.32Å; V531-Y573 HydrophobicContact CG2-CE1 4.29Å; V531-Y573 HydrophobicContact CG2-CG 4.08Å; Y535-Y573 HydrophobicContact CD2-CD2 4.33Å; Y535-Y573 AromaticContact CE2-CD2 3.53Å; Y535-Y573 HydrophobicContact CE2-CD2 3.53Å; Y535-Y573 HydrophobicContact CE2-CE2 4.39Å; Y535-Y573 HydrophobicContact CE2-CG 4.32Å; C569-Y573 WeakPolarHBondContact O-CB 3.33Å; C569-Y573 PolarHBondContact O-N 2.9Å; L570-Y573 HydrophobicContact CD1-CD1 4.22Å; Q571-Y573 VanDerWaalsContact C-N 3.34Å; Q571-Y573 PolarHBondContact O-N 3.17Å; Y573-L575 VanDerWaalsContact C-N 3.33Å; Y573-L575 PolarHBondContact O-N 2.98Å; Y573-R576 CarbonylContact O-C 3.59Å; Y573-R576 PolarHBondContact O-N 3.41Å; Y573-R576 VanDerWaalsContact O-N 3.09Å; Y573-M577 HydrophobicContact CD1-CG 3.95Å; Y573-M577 HydrophobicContact CD2-CE 4.2Å; Y573-M577 HydrophobicContact CD2-CG 3.69Å; Y573-M577 HydrophobicContact CD2-SD 4.2Å; Y573-M577 HydrophobicContact CE1-CG 3.73Å; Y573-M577 HydrophobicContact CE1-SD 4.26Å; Y573-M577 HydrophobicContact CE2-CE 3.68Å; Y573-M577 HydrophobicContact CE2-CG 3.48Å; Y573-M577 VanDerWaalsContact CE2-CG 3.48Å; Y573-M577 HydrophobicContact CE2-SD 3.43Å; Y573-M577 WeakPolarHBondContact CE2-SD 3.48Å; Y573-M577 HydrophobicContact CG-CG 3.95Å; Y573-M577 VanDerWaalsContact CZ-CG 3.5Å; Y573-M577 WeakPolarHBondContact O-CB 3.22Å; Y573-M577 WeakPolarHBondContact O-CG 3.38Å; Y573-M577 PolarHBondContact O-N 3.34Å; Y573-M577 PolarHBondContact OH-SD 3Å
574	K	60.6	Low	63.2	Low	121 Å²	121	87.5 Å²	87.5	53%	0.526	41%	0.413	S	S	.	.	H	α-helix	trans	-59.2	-41.3	177.1	-76.4	175	175	-171.3	0	112.7	L570 Q571 R576 M577	L570-K574 WeakPolarHBondContact O-CB 3.17Å; L570-K574 VanDerWaalsContact O-CG 3.3Å; L570-K574 WeakPolarHBondContact O-CG 3.37Å; L570-K574 PolarHBondContact O-N 3.3Å; Q571-K574 PolarHBondContact O-N 3.17Å; K574-R576 PolarHBondContact O-N 3.26Å; K574-M577 PolarHBondContact O-N 3.43Å
575	L	56.7	Low	63	Low	74 Å²	74	85.1 Å²	85.1	39%	0.387	40%	0.399	S	S	.	.	H	α-helix	trans	-63.8	-27.1	176.7	-70.7	167.3	0	0	0	113.2	Q571 L572 Y573 T582	Q571-L575 WeakPolarHBondContact O-CG 2.96Å; Q571-L575 PolarHBondContact O-N 2.99Å; L572-L575 PolarHBondContact O-N 2.9Å; Y573-L575 VanDerWaalsContact C-N 3.33Å; Y573-L575 PolarHBondContact O-N 2.98Å; L575-T582 PolarHBondContact O-OG1 2.97Å
576	R	52.4	Low	62.8	Low	176 Å²	176	84.1 Å²	84.1	66%	0.664	40%	0.396	S	S	*	.	H	α-helix	trans	-99	-6.1	178.7	-69.5	-177.4	177	-166	1.7	114.7	L572 Y573 K574	L572-R576 PolarHBondContact O-N 3.19Å; Y573-R576 CarbonylContact O-C 3.59Å; Y573-R576 PolarHBondContact O-N 3.41Å; Y573-R576 VanDerWaalsContact O-N 3.09Å; K574-R576 PolarHBondContact O-N 3.26Å
577	M	38.7	Very low	62.8	Low	88 Å²	88	91.4 Å²	91.4	43%	0.433	42%	0.424	S	S	.	.	S	Bend	trans	-100.6	-0.9	-178.8	-71.5	-78	117.1	0	0	113.8	Y573 K574 P579	Y573-M577 HydrophobicContact CD1-CG 3.95Å; Y573-M577 HydrophobicContact CD2-CE 4.2Å; Y573-M577 HydrophobicContact CD2-CG 3.69Å; Y573-M577 HydrophobicContact CD2-SD 4.2Å; Y573-M577 HydrophobicContact CE1-CG 3.73Å; Y573-M577 HydrophobicContact CE1-SD 4.26Å; Y573-M577 HydrophobicContact CE2-CE 3.68Å; Y573-M577 HydrophobicContact CE2-CG 3.48Å; Y573-M577 VanDerWaalsContact CE2-CG 3.48Å; Y573-M577 HydrophobicContact CE2-SD 3.43Å; Y573-M577 WeakPolarHBondContact CE2-SD 3.48Å; Y573-M577 HydrophobicContact CG-CG 3.95Å; Y573-M577 VanDerWaalsContact CZ-CG 3.5Å; Y573-M577 WeakPolarHBondContact O-CB 3.22Å; Y573-M577 WeakPolarHBondContact O-CG 3.38Å; Y573-M577 PolarHBondContact O-N 3.34Å; Y573-M577 PolarHBondContact OH-SD 3Å; K574-M577 PolarHBondContact O-N 3.43Å; M577-P579 VanDerWaalsContact C-CD 3.43Å
578	H	44.4	Very low	62.9	Low	118 Å²	118	87.7 Å²	87.7	55%	0.546	41%	0.409	S	S	.	.			trans	-127.6	57.5	170.2	-65.7	-53.6	0	0	0	110.8	E580 K581 T582	H578-E580 PolarHBondContact O-N 3.34Å; H578-E580 VanDerWaalsContact O-N 3.13Å; H578-K581 HydrophobicContact CB-CB 4.27Å; H578-K581 PolarHBondContact O-N 3.48Å; H578-T582 PolarHBondContact O-N 2.83Å; H578-T582 VanDerWaalsContact O-N 3.08Å; H578-T582 PolarHBondContact O-OG1 2.8Å; H578-T582 VanDerWaalsContact O-OG1 3.04Å
579	P	44.3	Very low	63.4	Low	79 Å²	79	82.7 Å²	82.7	51%	0.513	39%	0.387	S	S	.	.	H	α-helix	trans	-53.3	-38.3	-171.5	22.3	-34.1	0	0	0	113	M577 K581 T582 E583	M577-P579 VanDerWaalsContact C-CD 3.43Å; P579-K581 VanDerWaalsContact C-N 3.31Å; P579-K581 PolarHBondContact O-N 3.46Å; P579-T582 PolarHBondContact O-N 2.96Å; P579-E583 VanDerWaalsContact O-CB 3.24Å; P579-E583 WeakPolarHBondContact O-CB 3.07Å; P579-E583 PolarHBondContact O-N 2.96Å
580	E	40.7	Very low	64	Low	159 Å²	159	84.7 Å²	84.7	74%	0.743	40%	0.4	S	S	*	.	H	α-helix	trans	-55.7	-41.3	175	-65.1	158.1	-152.7	0	0	113.2	H578 E584	H578-E580 PolarHBondContact O-N 3.34Å; H578-E580 VanDerWaalsContact O-N 3.13Å; E580-E584 WeakPolarHBondContact O-CB 3.27Å; E580-E584 PolarHBondContact O-N 2.88Å
581	K	45.4	Very low	64.6	Low	148 Å²	148	84.8 Å²	84.8	64%	0.643	40%	0.4	S	S	*	.	H	α-helix	trans	-80.4	-30.9	179.8	-65.5	-171.3	176.3	-175	0	112.2	H578 P579 M585	H578-K581 HydrophobicContact CB-CB 4.27Å; H578-K581 PolarHBondContact O-N 3.48Å; P579-K581 VanDerWaalsContact C-N 3.31Å; P579-K581 PolarHBondContact O-N 3.46Å; K581-M585 VanDerWaalsContact O-CB 3.26Å; K581-M585 WeakPolarHBondContact O-CB 3.25Å; K581-M585 PolarHBondContact O-N 2.89Å; K581-M585 VanDerWaalsContact O-N 3.07Å
582	T	60.1	Low	65.7	Low	40 Å²	40	79.4 Å²	79.4	25%	0.245	38%	0.375	C	S	.	.	H	α-helix	trans	-69.3	-39.4	171.3	-22.6	0	0	0	0	110.2	L575 H578 P579 M585 C586	L575-T582 PolarHBondContact O-OG1 2.97Å; H578-T582 PolarHBondContact O-N 2.83Å; H578-T582 VanDerWaalsContact O-N 3.08Å; H578-T582 PolarHBondContact O-OG1 2.8Å; H578-T582 VanDerWaalsContact O-OG1 3.04Å; P579-T582 PolarHBondContact O-N 2.96Å; T582-M585 PolarHBondContact O-N 3.26Å; T582-C586 WeakPolarHBondContact O-CB 3.26Å; T582-C586 PolarHBondContact O-N 2.72Å; T582-C586 PolarHBondContact O-SG 2.81Å
583	E	66.3	Low	67.1	Low	100 Å²	100	76.6 Å²	76.6	47%	0.467	36%	0.36	S	S	.	.	H	α-helix	trans	-71.7	-42.4	178.4	-166.9	-176.6	-177.8	0	0	112.5	P579 M585 C586 R587	P579-E583 VanDerWaalsContact O-CB 3.24Å; P579-E583 WeakPolarHBondContact O-CB 3.07Å; P579-E583 PolarHBondContact O-N 2.96Å; E583-M585 VanDerWaalsContact C-N 3.33Å; E583-M585 PolarHBondContact O-N 2.6Å; E583-C586 WeakPolarHBondContact O-CB 3.33Å; E583-C586 PolarHBondContact O-N 3.38Å; E583-R587 VanDerWaalsContact O-CG 3.31Å; E583-R587 WeakPolarHBondContact O-CG 3.43Å; E583-R587 PolarHBondContact O-N 2.83Å; E583-R587 IonicContact OE1-CZ 2.89Å; E583-R587 IonicContact OE1-NE 2.67Å; E583-R587 PolarHBondContact OE1-NE 2.84Å; E583-R587 IonicContact OE1-NH2 2.65Å; E583-R587 PolarHBondContact OE1-NH2 3.01Å; E583-R587 IonicContact OE2-NH2 3.41Å
584	E	70.4	Confident	68.3	Low	80 Å²	80	77.2 Å²	77.2	37%	0.374	37%	0.367	S	S	.	.	H	α-helix	trans	-60.3	-43.5	171.1	-178.2	170.8	-142.6	0	0	110.9	E580 C586 R587 N588 K622	E580-E584 WeakPolarHBondContact O-CB 3.27Å; E580-E584 PolarHBondContact O-N 2.88Å; E584-C586 PolarHBondContact O-N 2.82Å; E584-R587 PolarHBondContact O-N 2.79Å; E584-N588 WeakPolarHBondContact O-CB 3.47Å; E584-N588 PolarHBondContact O-N 2.8Å; E584-N588 PolarHBondContact O-ND2 3.43Å; E584-N588 PolarHBondContact O-OD1 3.02Å; E584-K622 IonicContact OE1-NZ 2.93Å; E584-K622 PolarHBondContact OE1-NZ 2.87Å
585	M	73.4	Confident	69.9	Low	75 Å²	75	72 Å²	72	37%	0.369	35%	0.345	S	S	.	.	H	α-helix	trans	-61.3	-42.8	173.1	-176.2	63.7	75.4	0	0	111.8	K581 T582 E583 N588 M589 V624 F1137	K581-M585 VanDerWaalsContact O-CB 3.26Å; K581-M585 WeakPolarHBondContact O-CB 3.25Å; K581-M585 PolarHBondContact O-N 2.89Å; K581-M585 VanDerWaalsContact O-N 3.07Å; T582-M585 PolarHBondContact O-N 3.26Å; E583-M585 VanDerWaalsContact C-N 3.33Å; E583-M585 PolarHBondContact O-N 2.6Å; M585-N588 PolarHBondContact O-N 3.45Å; M585-M589 HydrophobicContact CG-CG 4.26Å; M585-M589 VanDerWaalsContact O-CB 3.3Å; M585-M589 WeakPolarHBondContact O-CB 3.17Å; M585-M589 VanDerWaalsContact O-CG 3.27Å; M585-M589 WeakPolarHBondContact O-CG 3.35Å; M585-M589 PolarHBondContact O-N 2.92Å; M585-M589 HydrophobicContact SD-CG 4.03Å; M585-V624 HydrophobicContact SD-CG2 4.17Å; M585-F1137 HydrophobicContact CG-CZ 4.24Å
586	C	75.4	Confident	71.7	Confident	37 Å²	37	68.5 Å²	68.5	25%	0.25	33%	0.326	C	S	.	.	H	α-helix	trans	-59.7	-49	175.4	-72.4	0	0	0	0	111.6	T582 E583 E584 N588 M589 T590 L1133 F1137	T582-C586 WeakPolarHBondContact O-CB 3.26Å; T582-C586 PolarHBondContact O-N 2.72Å; T582-C586 PolarHBondContact O-SG 2.81Å; E583-C586 WeakPolarHBondContact O-CB 3.33Å; E583-C586 PolarHBondContact O-N 3.38Å; E584-C586 PolarHBondContact O-N 2.82Å; C586-N588 VanDerWaalsContact C-N 3.34Å; C586-N588 PolarHBondContact O-N 3.3Å; C586-M589 PolarHBondContact O-N 2.8Å; C586-T590 WeakPolarHBondContact O-CB 3.36Å; C586-T590 PolarHBondContact O-N 2.53Å; C586-T590 PolarHBondContact O-OG1 3.12Å; C586-T590 VanDerWaalsContact O-OG1 3.08Å; C586-L1133 HydrophobicContact CB-CD2 3.98Å; C586-F1137 WeakPolarHBondContact SG-CE2 3.23Å
587	R	81.1	Confident	73.8	Confident	157 Å²	157	60.1 Å²	60.1	59%	0.592	30%	0.295	S	S	*	.	H	α-helix	trans	-59.5	-44	178.7	-68.2	169.2	-173.1	-176	4	111.5	E583 E584 T590 L591	E583-R587 VanDerWaalsContact O-CG 3.31Å; E583-R587 WeakPolarHBondContact O-CG 3.43Å; E583-R587 PolarHBondContact O-N 2.83Å; E583-R587 IonicContact OE1-CZ 2.89Å; E583-R587 IonicContact OE1-NE 2.67Å; E583-R587 PolarHBondContact OE1-NE 2.84Å; E583-R587 IonicContact OE1-NH2 2.65Å; E583-R587 PolarHBondContact OE1-NH2 3.01Å; E583-R587 IonicContact OE2-NH2 3.41Å; E584-R587 PolarHBondContact O-N 2.79Å; R587-T590 PolarHBondContact O-N 2.96Å; R587-L591 PolarHBondContact O-N 2.89Å
588	N	83.4	Confident	76.5	Confident	31 Å²	31	59 Å²	59	17%	0.166	29%	0.288	C	S	.	.	H	α-helix	trans	-70.9	-33	179.4	-59.4	-8.3	0	0	0	112.3	E584 M585 C586 K622 V624	E584-N588 WeakPolarHBondContact O-CB 3.47Å; E584-N588 PolarHBondContact O-N 2.8Å; E584-N588 PolarHBondContact O-ND2 3.43Å; E584-N588 PolarHBondContact O-OD1 3.02Å; M585-N588 PolarHBondContact O-N 3.45Å; C586-N588 VanDerWaalsContact C-N 3.34Å; C586-N588 PolarHBondContact O-N 3.3Å; N588-K622 VanDerWaalsContact CB-O 3.28Å; N588-K622 WeakPolarHBondContact CB-O 3.47Å; N588-K622 VanDerWaalsContact CG-O 3.28Å; N588-K622 VanDerWaalsContact OD1-CB 3.27Å; N588-K622 WeakPolarHBondContact OD1-CB 3.39Å; N588-K622 PolarHBondContact OD1-O 3.29Å; N588-V624 HydrophobicContact CB-CG2 3.59Å
589	M	86.4	Confident	78.8	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-74.4	-39.2	173.4	-74.4	-59.1	-58.1	0	0	112.3	M585 C586 L591 L592 F593 V624 Y627 L636 L1133 W1136	M585-M589 HydrophobicContact CG-CG 4.26Å; M585-M589 VanDerWaalsContact O-CB 3.3Å; M585-M589 WeakPolarHBondContact O-CB 3.17Å; M585-M589 VanDerWaalsContact O-CG 3.27Å; M585-M589 WeakPolarHBondContact O-CG 3.35Å; M585-M589 PolarHBondContact O-N 2.92Å; M585-M589 HydrophobicContact SD-CG 4.03Å; C586-M589 PolarHBondContact O-N 2.8Å; M589-L591 PolarHBondContact O-N 3.49Å; M589-L592 CarbonylContact O-C 3.54Å; M589-L592 WeakPolarHBondContact O-CA 3.17Å; M589-L592 WeakPolarHBondContact O-CB 3.41Å; M589-L592 PolarHBondContact O-N 3.38Å; M589-L592 HydrophobicContact SD-CD1 4.07Å; M589-F593 HydrophobicContact CB-CD2 4.5Å; M589-F593 HydrophobicContact CE-CD2 4.44Å; M589-F593 HydrophobicContact CE-CE2 4.13Å; M589-F593 WeakPolarHBondContact O-CD2 3.41Å; M589-F593 PolarHBondContact O-N 3.28Å; M589-V624 HydrophobicContact SD-CG2 4.25Å; M589-Y627 HydrophobicContact CE-CD2 4.14Å; M589-Y627 HydrophobicContact CE-CG 4.45Å; M589-Y627 HydrophobicContact SD-CD2 3.47Å; M589-Y627 WeakPolarHBondContact SD-CD2 3.25Å; M589-Y627 HydrophobicContact SD-CE2 3.91Å; M589-Y627 HydrophobicContact SD-CG 4.28Å; M589-L636 HydrophobicContact CE-CD2 3.82Å; M589-L1133 HydrophobicContact CB-CD1 3.64Å; M589-L1133 HydrophobicContact CG-CD1 4.49Å; M589-W1136 HydrophobicContact CE-CD2 4.49Å; M589-W1136 HydrophobicContact CE-CH2 3.71Å; M589-W1136 HydrophobicContact CE-CZ2 3.66Å; M589-W1136 HydrophobicContact CE-CZ3 4.14Å; M589-W1136 HydrophobicContact CG-CH2 4.38Å; M589-W1136 HydrophobicContact CG-CZ3 4.35Å; M589-W1136 HydrophobicContact SD-CH2 4.1Å; M589-W1136 HydrophobicContact SD-CZ2 4.5Å
590	T	88.6	Confident	81.1	Confident	46 Å²	46	49.7 Å²	49.7	28%	0.282	24%	0.238	S	C	.	.	H	α-helix	trans	-54	-38.6	173.3	-69.8	0	0	0	0	111.2	C586 R587 L592 F593 N594 A1129	C586-T590 WeakPolarHBondContact O-CB 3.36Å; C586-T590 PolarHBondContact O-N 2.53Å; C586-T590 PolarHBondContact O-OG1 3.12Å; C586-T590 VanDerWaalsContact O-OG1 3.08Å; R587-T590 PolarHBondContact O-N 2.96Å; T590-L592 PolarHBondContact O-N 3.24Å; T590-F593 PolarHBondContact O-N 2.78Å; T590-N594 WeakPolarHBondContact O-CB 3.41Å; T590-N594 PolarHBondContact O-N 2.8Å; T590-N594 PolarHBondContact O-OD1 3.18Å; T590-A1129 HydrophobicContact CG2-CB 4.14Å
591	L	89.6	Confident	83.6	Confident	37 Å²	37	43.7 Å²	43.7	19%	0.194	21%	0.211	C	C	.	.	H	α-helix	trans	-60.9	-43.9	174	-177.1	61.6	0	0	0	112.6	R587 M589 T595 L616 L621 V623	R587-L591 PolarHBondContact O-N 2.89Å; M589-L591 PolarHBondContact O-N 3.49Å; L591-T595 WeakPolarHBondContact O-CB 3.39Å; L591-T595 PolarHBondContact O-N 3Å; L591-T595 PolarHBondContact O-OG1 2.68Å; L591-L616 HydrophobicContact CD1-CD1 4.04Å; L591-L616 HydrophobicContact CD1-CD2 4.35Å; L591-L616 HydrophobicContact CG-CD1 4.2Å; L591-L621 HydrophobicContact CD1-CD1 4.02Å; L591-L621 HydrophobicContact CD2-CB 3.62Å; L591-L621 HydrophobicContact CD2-CD1 4.08Å; L591-L621 HydrophobicContact CD2-CG 4.44Å; L591-V623 HydrophobicContact CD2-CG2 3.85Å
592	L	90.7	Very high	85.8	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-67.8	-39.6	175.1	-71.3	176.7	0	0	0	112.2	M589 T590 T595 A596 F609 A613 V623 V624 M628 L636	M589-L592 CarbonylContact O-C 3.54Å; M589-L592 WeakPolarHBondContact O-CA 3.17Å; M589-L592 WeakPolarHBondContact O-CB 3.41Å; M589-L592 PolarHBondContact O-N 3.38Å; M589-L592 HydrophobicContact SD-CD1 4.07Å; T590-L592 PolarHBondContact O-N 3.24Å; L592-T595 PolarHBondContact O-N 2.94Å; L592-A596 WeakPolarHBondContact O-CB 3.48Å; L592-A596 PolarHBondContact O-N 2.85Å; L592-F609 HydrophobicContact CB-CZ 4.29Å; L592-F609 HydrophobicContact CD2-CE1 4.36Å; L592-F609 HydrophobicContact CD2-CZ 3.83Å; L592-A613 HydrophobicContact CD2-CB 4.14Å; L592-V623 HydrophobicContact CD2-CG1 3.85Å; L592-V624 HydrophobicContact CD1-CB 4.06Å; L592-M628 HydrophobicContact CD2-CG 4.45Å; L592-L636 HydrophobicContact CB-CD1 4.03Å
593	F	92.8	Very high	87.2	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-60.5	-46.9	173.3	-91	-83.9	0	0	0	111.7	M589 T590 T595 A596 Y597 L636 H639 I640 A1129 A1132 L1133 W1136	M589-F593 HydrophobicContact CB-CD2 4.5Å; M589-F593 HydrophobicContact CE-CD2 4.44Å; M589-F593 HydrophobicContact CE-CE2 4.13Å; M589-F593 WeakPolarHBondContact O-CD2 3.41Å; M589-F593 PolarHBondContact O-N 3.28Å; T590-F593 PolarHBondContact O-N 2.78Å; F593-T595 VanDerWaalsContact C-N 3.29Å; F593-T595 PolarHBondContact O-N 3.4Å; F593-A596 PolarHBondContact O-N 3.15Å; F593-Y597 VanDerWaalsContact O-CB 3.26Å; F593-Y597 WeakPolarHBondContact O-CB 3.44Å; F593-Y597 PolarHBondContact O-N 3.28Å; F593-L636 HydrophobicContact CD1-CB 4.48Å; F593-L636 HydrophobicContact CD1-CD2 4.29Å; F593-L636 HydrophobicContact CD2-CD2 3.83Å; F593-L636 HydrophobicContact CE1-CB 4.36Å; F593-L636 HydrophobicContact CE1-CD2 3.93Å; F593-L636 HydrophobicContact CE2-CD2 3.42Å; F593-L636 VanDerWaalsContact CE2-CD2 3.42Å; F593-L636 HydrophobicContact CG-CD2 4.24Å; F593-L636 HydrophobicContact CZ-CD2 3.47Å; F593-L636 VanDerWaalsContact CZ-CD2 3.47Å; F593-H639 HydrophobicContact CE1-CB 4.19Å; F593-I640 HydrophobicContact CD1-CD1 3.84Å; F593-I640 HydrophobicContact CD1-CG1 3.58Å; F593-I640 HydrophobicContact CE1-CG1 3.98Å; F593-A1129 HydrophobicContact CB-CB 3.73Å; F593-A1129 HydrophobicContact CG-CB 4.34Å; F593-A1132 HydrophobicContact CD1-CB 4Å; F593-A1132 HydrophobicContact CE1-CB 3.72Å; F593-L1133 HydrophobicContact CD2-CB 4.41Å; F593-L1133 HydrophobicContact CD2-CD1 3.85Å; F593-L1133 HydrophobicContact CE2-CB 4.2Å; F593-L1133 HydrophobicContact CE2-CD1 3.51Å; F593-L1133 HydrophobicContact CE2-CG 4.48Å; F593-L1133 HydrophobicContact CZ-CD1 4.47Å; F593-W1136 HydrophobicContact CE2-CB 4.42Å; F593-W1136 HydrophobicContact CE2-CG 4.44Å; F593-W1136 HydrophobicContact CZ-CB 3.82Å; F593-W1136 HydrophobicContact CZ-CG 4.08Å
594	N	93.5	Very high	88.3	Confident	56 Å²	56	38.8 Å²	38.8	30%	0.299	18%	0.183	S	C	.	.	H	α-helix	trans	-63.3	-35.6	176.6	-68.3	1.2	0	0	0	111.9	T590 H598 F1127	T590-N594 WeakPolarHBondContact O-CB 3.41Å; T590-N594 PolarHBondContact O-N 2.8Å; T590-N594 PolarHBondContact O-OD1 3.18Å; N594-H598 PolarHBondContact O-N 3.01Å; N594-F1127 WeakPolarHBondContact OD1-CE1 3.38Å
595	T	93.4	Very high	89.2	Confident	11 Å²	11	36 Å²	36	7%	0.067	17%	0.172	C	C	.	.	H	α-helix	trans	-68	-45.4	175.8	-53.6	0	0	0	0	111.5	L591 L592 F593 Y597 H598 L599 F609 L612 L616	L591-T595 WeakPolarHBondContact O-CB 3.39Å; L591-T595 PolarHBondContact O-N 3Å; L591-T595 PolarHBondContact O-OG1 2.68Å; L592-T595 PolarHBondContact O-N 2.94Å; F593-T595 VanDerWaalsContact C-N 3.29Å; F593-T595 PolarHBondContact O-N 3.4Å; T595-Y597 VanDerWaalsContact C-N 3.33Å; T595-H598 PolarHBondContact O-N 3.25Å; T595-L599 WeakPolarHBondContact O-CB 3.48Å; T595-L599 PolarHBondContact O-N 2.85Å; T595-F609 HydrophobicContact CG2-CD2 3.95Å; T595-F609 HydrophobicContact CG2-CE2 3.89Å; T595-L612 HydrophobicContact CG2-CB 3.75Å; T595-L612 HydrophobicContact CG2-CD1 4.33Å; T595-L616 HydrophobicContact CG2-CD1 4.14Å; T595-L616 WeakPolarHBondContact OG1-CD1 3.25Å
596	A	94.9	Very high	90	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-66.5	-36.7	177.7	0	0	0	0	0	111.4	L592 F593 A600 F609 L636 I637 I640	L592-A596 WeakPolarHBondContact O-CB 3.48Å; L592-A596 PolarHBondContact O-N 2.85Å; F593-A596 PolarHBondContact O-N 3.15Å; A596-A600 WeakPolarHBondContact O-CB 3.4Å; A596-A600 PolarHBondContact O-N 3.17Å; A596-F609 HydrophobicContact CB-CD2 4.35Å; A596-F609 HydrophobicContact CB-CE2 3.74Å; A596-F609 HydrophobicContact CB-CZ 4.41Å; A596-L636 HydrophobicContact CB-CB 3.9Å; A596-L636 HydrophobicContact CB-CD1 4.21Å; A596-I637 HydrophobicContact CB-CG1 4.11Å; A596-I640 HydrophobicContact CB-CD1 4.44Å
597	Y	96.3	Very high	90.6	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-63.1	-51.2	173.8	-179	-107.9	0	0	0	112.3	F593 T595 L599 A600 L601 I640 I1117 G1121 P1122 I1124 F1127	F593-Y597 VanDerWaalsContact O-CB 3.26Å; F593-Y597 WeakPolarHBondContact O-CB 3.44Å; F593-Y597 PolarHBondContact O-N 3.28Å; T595-Y597 VanDerWaalsContact C-N 3.33Å; Y597-L599 VanDerWaalsContact C-N 3.33Å; Y597-L599 PolarHBondContact O-N 3.24Å; Y597-A600 PolarHBondContact O-N 3.07Å; Y597-L601 HydrophobicContact CE1-CD2 4.13Å; Y597-L601 WeakPolarHBondContact O-CB 3.35Å; Y597-L601 PolarHBondContact O-N 2.95Å; Y597-I640 HydrophobicContact CD2-CG2 3.81Å; Y597-I640 HydrophobicContact CE2-CG2 4.34Å; Y597-I1117 HydrophobicContact CD2-CG1 4.44Å; Y597-I1117 HydrophobicContact CD2-CG2 3.63Å; Y597-I1117 HydrophobicContact CE2-CB 4.47Å; Y597-I1117 HydrophobicContact CE2-CG2 3.5Å; Y597-G1121 WeakPolarHBondContact OH-CA 3.42Å; Y597-P1122 VanDerWaalsContact OH-CD 3.23Å; Y597-P1122 WeakPolarHBondContact OH-CD 3.4Å; Y597-P1122 VanDerWaalsContact OH-N 3.1Å; Y597-P1122 PolarHBondContact OH-O 3.43Å; Y597-I1124 HydrophobicContact CD1-CD1 3.7Å; Y597-I1124 HydrophobicContact CE1-CD1 4.19Å; Y597-F1127 HydrophobicContact CD1-CB 3.9Å; Y597-F1127 AromaticContact CD1-CD1 3.57Å; Y597-F1127 HydrophobicContact CD1-CD1 3.57Å; Y597-F1127 AromaticContact CD1-CD2 3.9Å; Y597-F1127 HydrophobicContact CD1-CD2 3.9Å; Y597-F1127 HydrophobicContact CD1-CE1 4.05Å; Y597-F1127 HydrophobicContact CD1-CE2 4.36Å; Y597-F1127 AromaticContact CD1-CG 3.48Å; Y597-F1127 HydrophobicContact CD1-CG 3.48Å; Y597-F1127 VanDerWaalsContact CD1-CG 3.48Å; Y597-F1127 HydrophobicContact CD1-CZ 4.43Å; Y597-F1127 HydrophobicContact CD2-CD1 4.42Å; Y597-F1127 AromaticContact CD2-CD2 3.77Å; Y597-F1127 HydrophobicContact CD2-CD2 3.77Å; Y597-F1127 HydrophobicContact CD2-CE1 4.24Å; Y597-F1127 AromaticContact CD2-CE2 3.59Å; Y597-F1127 HydrophobicContact CD2-CE2 3.59Å; Y597-F1127 HydrophobicContact CD2-CG 4.2Å; Y597-F1127 AromaticContact CD2-CZ 3.84Å; Y597-F1127 HydrophobicContact CD2-CZ 3.84Å; Y597-F1127 HydrophobicContact CE1-CB 3.59Å; Y597-F1127 HydrophobicContact CE1-CD1 4.14Å; Y597-F1127 AromaticContact CE1-CD2 3.79Å; Y597-F1127 HydrophobicContact CE1-CD2 3.79Å; Y597-F1127 AromaticContact CE1-CG 3.55Å; Y597-F1127 HydrophobicContact CE1-CG 3.55Å; Y597-F1127 AromaticContact CE2-CD2 3.61Å; Y597-F1127 HydrophobicContact CE2-CD2 3.61Å; Y597-F1127 AromaticContact CE2-CE2 3.77Å; Y597-F1127 HydrophobicContact CE2-CE2 3.77Å; Y597-F1127 HydrophobicContact CE2-CG 4.21Å; Y597-F1127 HydrophobicContact CE2-CZ 4.46Å; Y597-F1127 AromaticContact CG-CD1 3.74Å; Y597-F1127 HydrophobicContact CG-CD1 3.74Å; Y597-F1127 AromaticContact CG-CD2 3.89Å; Y597-F1127 HydrophobicContact CG-CD2 3.89Å; Y597-F1127 AromaticContact CG-CE1 3.71Å; Y597-F1127 HydrophobicContact CG-CE1 3.71Å; Y597-F1127 AromaticContact CG-CE2 3.88Å; Y597-F1127 HydrophobicContact CG-CE2 3.88Å; Y597-F1127 AromaticContact CG-CG 3.83Å; Y597-F1127 HydrophobicContact CG-CG 3.83Å; Y597-F1127 AromaticContact CG-CZ 3.79Å; Y597-F1127 HydrophobicContact CG-CZ 3.79Å; Y597-F1127 AromaticContact CZ-CD2 3.64Å; Y597-F1127 AromaticContact CZ-CG 3.92Å
598	H	94.6	Very high	91.1	Very high	66 Å²	66	30 Å²	30	31%	0.306	15%	0.15	S	C	.	.	H	α-helix	trans	-59.9	-43.3	176.8	175.8	53.4	0	0	0	111.8	N594 T595 A600 L601 E602 I1124	N594-H598 PolarHBondContact O-N 3.01Å; T595-H598 PolarHBondContact O-N 3.25Å; H598-A600 VanDerWaalsContact C-N 3.33Å; H598-A600 PolarHBondContact O-N 2.97Å; H598-L601 PolarHBondContact O-N 3.42Å; H598-E602 WeakPolarHBondContact CE1-CG 3.28Å; H598-E602 IonicContact CE1-OE1 3.55Å; H598-E602 IonicContact ND1-OE1 3.57Å; H598-E602 WeakPolarHBondContact O-CG 3.37Å; H598-E602 PolarHBondContact O-N 3.32Å; H598-I1124 HydrophobicContact CB-CD1 4.21Å
599	L	93.7	Very high	91.5	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-56.4	-45.9	175	-178.8	155.9	0	0	0	111.8	T595 Y597 G603 R604 Y606 D608 F609 L612 I637	T595-L599 WeakPolarHBondContact O-CB 3.48Å; T595-L599 PolarHBondContact O-N 2.85Å; Y597-L599 VanDerWaalsContact C-N 3.33Å; Y597-L599 PolarHBondContact O-N 3.24Å; L599-G603 PolarHBondContact O-N 3.5Å; L599-R604 WeakPolarHBondContact CD2-O 3.23Å; L599-R604 HydrophobicContact CG-CB 3.96Å; L599-R604 PolarHBondContact O-N 3.31Å; L599-Y606 HydrophobicContact CD2-CD1 4.19Å; L599-D608 HydrophobicContact CD1-CB 4.15Å; L599-F609 HydrophobicContact CD1-CB 3.6Å; L599-F609 HydrophobicContact CD1-CD2 4.18Å; L599-F609 HydrophobicContact CD1-CG 4.38Å; L599-L612 HydrophobicContact CD1-CD1 4.41Å; L599-I637 HydrophobicContact CD2-CD1 4.03Å
600	A	93.4	Very high	91.8	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-69.8	-40.4	178	0	0	0	0	0	113.5	A596 Y597 H598 G603 I637 L1114 I1117	A596-A600 WeakPolarHBondContact O-CB 3.4Å; A596-A600 PolarHBondContact O-N 3.17Å; Y597-A600 PolarHBondContact O-N 3.07Å; H598-A600 VanDerWaalsContact C-N 3.33Å; H598-A600 PolarHBondContact O-N 2.97Å; A600-G603 WeakPolarHBondContact O-CA 3.21Å; A600-G603 PolarHBondContact O-N 3.38Å; A600-I637 HydrophobicContact CB-CD1 3.94Å; A600-I637 HydrophobicContact CB-CG1 4.05Å; A600-L1114 HydrophobicContact CB-CD2 3.64Å; A600-I1117 HydrophobicContact CB-CB 4.03Å; A600-I1117 HydrophobicContact CB-CD1 3.7Å; A600-I1117 HydrophobicContact CB-CG1 4.48Å; A600-I1117 HydrophobicContact CB-CG2 3.64Å
601	L	93	Very high	92	Very high	33 Å²	33	36.7 Å²	36.7	17%	0.173	18%	0.178	C	C	.	.	H	α-helix	trans	-61.3	-45.4	178.4	-174	67.7	0	0	0	111.4	Y597 H598 G603 R1097 I1117	Y597-L601 HydrophobicContact CE1-CD2 4.13Å; Y597-L601 WeakPolarHBondContact O-CB 3.35Å; Y597-L601 PolarHBondContact O-N 2.95Å; H598-L601 PolarHBondContact O-N 3.42Å; L601-G603 PolarHBondContact O-N 2.98Å; L601-R1097 PolarHBondContact O-NH2 2.96Å; L601-I1117 HydrophobicContact CB-CG2 4.25Å
602	E	90.4	Very high	92.1	Very high	82 Å²	82	37 Å²	37	38%	0.383	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-14.1	172.9	-63.6	-55.1	141.3	0	0	113.1	H598 R604 R1097	H598-E602 WeakPolarHBondContact CE1-CG 3.28Å; H598-E602 IonicContact CE1-OE1 3.55Å; H598-E602 IonicContact ND1-OE1 3.57Å; H598-E602 WeakPolarHBondContact O-CG 3.37Å; H598-E602 PolarHBondContact O-N 3.32Å; E602-R604 VanDerWaalsContact C-N 3.34Å; E602-R604 HydrophobicContact CB-CG 3.87Å; E602-R1097 VanDerWaalsContact O-CD 3.23Å; E602-R1097 WeakPolarHBondContact O-CD 3.37Å; E602-R1097 PolarHBondContact O-NE 3.37Å
603	G	89.4	Confident	92	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.3	35.8	-173.5	0	0	0	0	0	112.7	L599 A600 L601 N1101	L599-G603 PolarHBondContact O-N 3.5Å; A600-G603 WeakPolarHBondContact O-CA 3.21Å; A600-G603 PolarHBondContact O-N 3.38Å; L601-G603 PolarHBondContact O-N 2.98Å; G603-N1101 WeakPolarHBondContact O-CB 3.14Å; G603-N1101 PolarHBondContact O-ND2 2.93Å
604	R	89.8	Confident	91.9	Very high	103 Å²	103	40.2 Å²	40.2	39%	0.389	19%	0.194	S	C	.	.			trans	-81.4	152	178	-76.6	171.7	175.7	-86.9	0	111.6	L599 E602 D608 H1102	L599-R604 WeakPolarHBondContact CD2-O 3.23Å; L599-R604 HydrophobicContact CG-CB 3.96Å; L599-R604 PolarHBondContact O-N 3.31Å; E602-R604 VanDerWaalsContact C-N 3.34Å; E602-R604 HydrophobicContact CB-CG 3.87Å; R604-D608 IonicContact NH1-OD2 3.16Å; R604-D608 PolarHBondContact NH1-OD2 3.48Å; R604-H1102 PolarHBondContact O-NE2 2.76Å
605	P	89.3	Confident	91.8	Very high	21 Å²	21	41.9 Å²	41.9	14%	0.136	20%	0.203	C	C	.	.			trans	-70.3	148.9	-179	-14.5	31.3	0	0	0	112.2	L607 D608 N1101	P605-L607 HydrophobicContact CB-CD2 3.81Å; P605-L607 HydrophobicContact CB-CG 4.02Å; P605-L607 PolarHBondContact O-N 3.34Å; P605-D608 WeakPolarHBondContact O-CB 3.26Å; P605-D608 PolarHBondContact O-N 2.85Å; P605-N1101 HydrophobicContact CG-CB 4.19Å; P605-N1101 WeakPolarHBondContact CG-O 3.47Å
606	Y	90.1	Very high	91.6	Very high	8 Å²	8	43.2 Å²	43.2	3%	0.031	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-56.7	-26.2	-178.3	-55.9	-53.6	0	0	0	114.4	L599 D608 F609 Q634 I637 L1106 L1114	L599-Y606 HydrophobicContact CD2-CD1 4.19Å; Y606-D608 PolarHBondContact O-N 2.89Å; Y606-F609 WeakPolarHBondContact O-CB 3.27Å; Y606-F609 PolarHBondContact O-N 3Å; Y606-F609 VanDerWaalsContact O-N 3.11Å; Y606-Q634 HydrophobicContact CD1-CG 4.15Å; Y606-Q634 HydrophobicContact CD2-CG 3.77Å; Y606-Q634 HydrophobicContact CE1-CG 3.96Å; Y606-Q634 HydrophobicContact CE2-CG 3.55Å; Y606-Q634 HydrophobicContact CG-CG 4.06Å; Y606-I637 HydrophobicContact CD1-CD1 4.01Å; Y606-I637 HydrophobicContact CE1-CD1 3.68Å; Y606-L1106 HydrophobicContact CD2-CD2 4.4Å; Y606-L1106 HydrophobicContact CE2-CD2 3.5Å; Y606-L1114 HydrophobicContact CE1-CD1 4.43Å; Y606-L1114 HydrophobicContact CE1-CD2 4.15Å
607	L	88.9	Confident	91.3	Very high	100 Å²	100	48.5 Å²	48.5	52%	0.524	23%	0.23	S	C	.	.	G	3₁₀ helix	trans	-64.2	-23.3	175.7	68.6	102.5	0	0	0	113.8	P605 F609 P611 E630	P605-L607 HydrophobicContact CB-CD2 3.81Å; P605-L607 HydrophobicContact CB-CG 4.02Å; P605-L607 PolarHBondContact O-N 3.34Å; L607-F609 PolarHBondContact O-N 3.38Å; L607-P611 WeakPolarHBondContact O-CD 3.43Å; L607-E630 WeakPolarHBondContact CB-OE1 3.42Å
608	D	90.9	Very high	91	Very high	37 Å²	37	56.9 Å²	56.9	20%	0.198	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-67.8	-22.3	173.6	-78.2	20.3	0	0	0	111.7	L599 R604 P605 Y606 R610 P611 L612	L599-D608 HydrophobicContact CD1-CB 4.15Å; R604-D608 IonicContact NH1-OD2 3.16Å; R604-D608 PolarHBondContact NH1-OD2 3.48Å; P605-D608 WeakPolarHBondContact O-CB 3.26Å; P605-D608 PolarHBondContact O-N 2.85Å; Y606-D608 PolarHBondContact O-N 2.89Å; D608-R610 VanDerWaalsContact C-N 3.34Å; D608-R610 PolarHBondContact O-N 3.06Å; D608-P611 WeakPolarHBondContact O-CD 3.34Å; D608-L612 HydrophobicContact CB-CD1 4.36Å; D608-L612 VanDerWaalsContact O-CG 3.29Å; D608-L612 WeakPolarHBondContact O-CG 3.2Å; D608-L612 PolarHBondContact O-N 3.49Å
609	F	92.4	Very high	90.9	Very high	1 Å²	1	57.5 Å²	57.5	0%	0.004	28%	0.277	C	S	.	.	H	α-helix	trans	-59.7	-42.5	-173.7	-173.9	-116	0	0	0	112.8	L592 T595 A596 L599 Y606 L607 L612 A613 Y627 C633 L636	L592-F609 HydrophobicContact CB-CZ 4.29Å; L592-F609 HydrophobicContact CD2-CE1 4.36Å; L592-F609 HydrophobicContact CD2-CZ 3.83Å; T595-F609 HydrophobicContact CG2-CD2 3.95Å; T595-F609 HydrophobicContact CG2-CE2 3.89Å; A596-F609 HydrophobicContact CB-CD2 4.35Å; A596-F609 HydrophobicContact CB-CE2 3.74Å; A596-F609 HydrophobicContact CB-CZ 4.41Å; L599-F609 HydrophobicContact CD1-CB 3.6Å; L599-F609 HydrophobicContact CD1-CD2 4.18Å; L599-F609 HydrophobicContact CD1-CG 4.38Å; Y606-F609 WeakPolarHBondContact O-CB 3.27Å; Y606-F609 PolarHBondContact O-N 3Å; Y606-F609 VanDerWaalsContact O-N 3.11Å; L607-F609 PolarHBondContact O-N 3.38Å; F609-L612 PolarHBondContact O-N 2.91Å; F609-A613 WeakPolarHBondContact O-CB 3.45Å; F609-A613 PolarHBondContact O-N 3.22Å; F609-Y627 WeakPolarHBondContact CE1-O 3.35Å; F609-C633 HydrophobicContact CB-CB 4Å; F609-C633 HydrophobicContact CD1-CB 3.59Å; F609-C633 HydrophobicContact CD2-CB 4.17Å; F609-C633 VanDerWaalsContact CD2-SG 3.58Å; F609-C633 HydrophobicContact CE1-CB 4.02Å; F609-C633 HydrophobicContact CG-CB 3.66Å; F609-C633 VanDerWaalsContact CG-SG 3.56Å; F609-C633 HydrophobicContact CZ-CB 4.48Å; F609-L636 HydrophobicContact CE1-CD1 4.41Å; F609-L636 HydrophobicContact CE2-CD1 4.48Å; F609-L636 HydrophobicContact CZ-CD1 3.72Å
610	R	91.8	Very high	90.7	Very high	135 Å²	135	66.2 Å²	66.2	51%	0.509	32%	0.317	S	S	.	.	H	α-helix	trans	-68.8	-50.6	-178.6	178.4	175	172.4	161.6	2.9	112.1	D608 L612 A613 E614 M628	D608-R610 VanDerWaalsContact C-N 3.34Å; D608-R610 PolarHBondContact O-N 3.06Å; R610-L612 VanDerWaalsContact C-N 3.26Å; R610-L612 PolarHBondContact O-N 3.39Å; R610-A613 PolarHBondContact O-N 2.89Å; R610-E614 HydrophobicContact CG-CG 4.33Å; R610-E614 IonicContact CZ-OE1 2.66Å; R610-E614 VanDerWaalsContact CZ-OE1 3.29Å; R610-E614 IonicContact NE-OE1 3.98Å; R610-E614 PolarHBondContact NE-OE1 2.87Å; R610-E614 IonicContact NH2-OE1 3.23Å; R610-E614 PolarHBondContact NH2-OE1 3.18Å; R610-E614 WeakPolarHBondContact O-CG 3.38Å; R610-E614 PolarHBondContact O-N 3.12Å; R610-M628 WeakPolarHBondContact CB-O 3.41Å; R610-M628 HydrophobicContact CG-CE 4.37Å
611	P	92.9	Very high	90.4	Very high	80 Å²	80	70 Å²	70	52%	0.519	34%	0.337	S	S	.	.	H	α-helix	trans	-52	-40.8	169.9	-29.9	35.4	0	0	0	113.9	L607 D608 E614 L615	L607-P611 WeakPolarHBondContact O-CD 3.43Å; D608-P611 WeakPolarHBondContact O-CD 3.34Å; P611-E614 PolarHBondContact O-N 3.45Å; P611-L615 WeakPolarHBondContact O-CB 3.46Å; P611-L615 PolarHBondContact O-N 2.88Å
612	L	91.6	Very high	89.8	Confident	43 Å²	43	74.5 Å²	74.5	23%	0.225	36%	0.355	C	S	.	.	H	α-helix	trans	-65.5	-45.5	176.8	-70.9	168.6	0	0	0	111.9	T595 L599 D608 F609 R610 L615 L616	T595-L612 HydrophobicContact CG2-CB 3.75Å; T595-L612 HydrophobicContact CG2-CD1 4.33Å; L599-L612 HydrophobicContact CD1-CD1 4.41Å; D608-L612 HydrophobicContact CB-CD1 4.36Å; D608-L612 VanDerWaalsContact O-CG 3.29Å; D608-L612 WeakPolarHBondContact O-CG 3.2Å; D608-L612 PolarHBondContact O-N 3.49Å; F609-L612 PolarHBondContact O-N 2.91Å; R610-L612 VanDerWaalsContact C-N 3.26Å; R610-L612 PolarHBondContact O-N 3.39Å; L612-L615 WeakPolarHBondContact O-CB 3.28Å; L612-L615 PolarHBondContact O-N 3.41Å; L612-L616 WeakPolarHBondContact O-CG 3.47Å; L612-L616 PolarHBondContact O-N 2.92Å
613	A	89	Confident	89.3	Confident	0 Å²	0	71.4 Å²	71.4	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-65.2	-37.1	175.8	0	0	0	0	0	112.7	L592 F609 R610 L616 R617 V623 M628	L592-A613 HydrophobicContact CD2-CB 4.14Å; F609-A613 WeakPolarHBondContact O-CB 3.45Å; F609-A613 PolarHBondContact O-N 3.22Å; R610-A613 PolarHBondContact O-N 2.89Å; A613-L616 PolarHBondContact O-N 3.48Å; A613-R617 PolarHBondContact O-N 2.95Å; A613-R617 VanDerWaalsContact O-N 3.09Å; A613-V623 HydrophobicContact CB-CG1 4.06Å; A613-M628 HydrophobicContact CB-CE 3.77Å; A613-M628 HydrophobicContact CB-CG 3.86Å; A613-M628 HydrophobicContact CB-SD 4.08Å
614	E	90.1	Very high	88.8	Confident	68 Å²	68	72.4 Å²	72.4	32%	0.318	35%	0.348	S	S	.	.	H	α-helix	trans	-68.1	-33.3	173.3	-69.1	-175.6	178.3	0	0	112.3	R610 P611 K618 M628	R610-E614 HydrophobicContact CG-CG 4.33Å; R610-E614 IonicContact CZ-OE1 2.66Å; R610-E614 VanDerWaalsContact CZ-OE1 3.29Å; R610-E614 IonicContact NE-OE1 3.98Å; R610-E614 PolarHBondContact NE-OE1 2.87Å; R610-E614 IonicContact NH2-OE1 3.23Å; R610-E614 PolarHBondContact NH2-OE1 3.18Å; R610-E614 WeakPolarHBondContact O-CG 3.38Å; R610-E614 PolarHBondContact O-N 3.12Å; P611-E614 PolarHBondContact O-N 3.45Å; E614-K618 PolarHBondContact O-N 2.89Å; E614-K618 VanDerWaalsContact O-N 3.1Å; E614-M628 HydrophobicContact CB-CE 4.5Å; E614-M628 HydrophobicContact CG-CE 3.44Å; E614-M628 VanDerWaalsContact CG-CE 3.44Å
615	L	91.8	Very high	88	Confident	92 Å²	92	72.4 Å²	72.4	48%	0.482	36%	0.356	S	S	.	.	H	α-helix	trans	-66.8	-44.7	171.3	175.1	62.4	0	0	0	112.1	P611 L612 R617 K618 C619	P611-L615 WeakPolarHBondContact O-CB 3.46Å; P611-L615 PolarHBondContact O-N 2.88Å; L612-L615 WeakPolarHBondContact O-CB 3.28Å; L612-L615 PolarHBondContact O-N 3.41Å; L615-R617 VanDerWaalsContact C-N 3.29Å; L615-R617 PolarHBondContact O-N 3.37Å; L615-K618 CarbonylContact O-C 3.53Å; L615-K618 WeakPolarHBondContact O-CA 3.41Å; L615-K618 VanDerWaalsContact O-CB 3.32Å; L615-K618 WeakPolarHBondContact O-CB 3.32Å; L615-K618 PolarHBondContact O-N 2.9Å; L615-C619 PolarHBondContact O-N 3.37Å; L615-C619 PolarHBondContact O-SG 3.36Å; L615-C619 VanDerWaalsContact O-SG 3.42Å
616	L	90	Very high	87.4	Confident	39 Å²	39	78.2 Å²	78.2	20%	0.204	38%	0.381	C	S	.	.	H	α-helix	trans	-61.8	-38.5	177.4	-68	167	0	0	0	111.6	L591 T595 L612 A613 K618 C619 L621 V623	L591-L616 HydrophobicContact CD1-CD1 4.04Å; L591-L616 HydrophobicContact CD1-CD2 4.35Å; L591-L616 HydrophobicContact CG-CD1 4.2Å; T595-L616 HydrophobicContact CG2-CD1 4.14Å; T595-L616 WeakPolarHBondContact OG1-CD1 3.25Å; L612-L616 WeakPolarHBondContact O-CG 3.47Å; L612-L616 PolarHBondContact O-N 2.92Å; A613-L616 PolarHBondContact O-N 3.48Å; L616-K618 VanDerWaalsContact C-N 3.31Å; L616-K618 PolarHBondContact O-N 3.34Å; L616-C619 CarbonylContact O-C 3.58Å; L616-C619 WeakPolarHBondContact O-CA 3.49Å; L616-C619 PolarHBondContact O-N 2.9Å; L616-C619 VanDerWaalsContact O-N 3.13Å; L616-L621 HydrophobicContact CB-CD1 4.22Å; L616-L621 HydrophobicContact CD2-CD1 3.74Å; L616-L621 WeakPolarHBondContact O-CB 3.26Å; L616-L621 PolarHBondContact O-N 2.98Å; L616-V623 HydrophobicContact CB-CG2 3.88Å
617	R	87.6	Confident	86.9	Confident	111 Å²	111	80.1 Å²	80.1	42%	0.419	39%	0.389	S	S	.	.	H	α-helix	trans	-64.5	-32.2	171.8	-169.8	179	64	-162.4	-4.7	112.7	A613 L615 C619 E620 V623 D625	A613-R617 PolarHBondContact O-N 2.95Å; A613-R617 VanDerWaalsContact O-N 3.09Å; L615-R617 VanDerWaalsContact C-N 3.29Å; L615-R617 PolarHBondContact O-N 3.37Å; R617-C619 VanDerWaalsContact C-N 3.35Å; R617-E620 PolarHBondContact O-N 3.31Å; R617-V623 HydrophobicContact CB-CB 4.31Å; R617-V623 HydrophobicContact CB-CG2 4.07Å; R617-D625 IonicContact CZ-OD1 3.86Å; R617-D625 IonicContact NH1-OD1 2.71Å; R617-D625 PolarHBondContact NH1-OD1 3.35Å
618	K	91.1	Very high	86.6	Confident	176 Å²	176	75.8 Å²	75.8	77%	0.765	37%	0.366	S	S	*	.	H	α-helix	trans	-70	-31	171.6	-174.9	-175.5	174.1	-172.2	0	112	E614 L615 L616 E620	E614-K618 PolarHBondContact O-N 2.89Å; E614-K618 VanDerWaalsContact O-N 3.1Å; L615-K618 CarbonylContact O-C 3.53Å; L615-K618 WeakPolarHBondContact O-CA 3.41Å; L615-K618 VanDerWaalsContact O-CB 3.32Å; L615-K618 WeakPolarHBondContact O-CB 3.32Å; L615-K618 PolarHBondContact O-N 2.9Å; L616-K618 VanDerWaalsContact C-N 3.31Å; L616-K618 PolarHBondContact O-N 3.34Å; K618-E620 PolarHBondContact O-N 3.32Å; K618-E620 VanDerWaalsContact O-N 3.17Å
619	C	92.3	Very high	86.3	Confident	78 Å²	78	78 Å²	78	53%	0.527	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	26.4	171.1	-59.5	0	0	0	0	113.2	L615 L616 R617 L621	L615-C619 PolarHBondContact O-N 3.37Å; L615-C619 PolarHBondContact O-SG 3.36Å; L615-C619 VanDerWaalsContact O-SG 3.42Å; L616-C619 CarbonylContact O-C 3.58Å; L616-C619 WeakPolarHBondContact O-CA 3.49Å; L616-C619 PolarHBondContact O-N 2.9Å; L616-C619 VanDerWaalsContact O-N 3.13Å; R617-C619 VanDerWaalsContact C-N 3.35Å; C619-L621 PolarHBondContact O-N 3.01Å; C619-L621 VanDerWaalsContact O-N 3.07Å
620	E	88.6	Confident	86	Confident	184 Å²	184	83 Å²	83	86%	0.86	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.4	12.8	177.7	-53.7	-172.1	172.4	0	0	116	R617 K618	R617-E620 PolarHBondContact O-N 3.31Å; K618-E620 PolarHBondContact O-N 3.32Å; K618-E620 VanDerWaalsContact O-N 3.17Å
621	L	87	Confident	85.8	Confident	78 Å²	78	78.3 Å²	78.3	41%	0.408	40%	0.395	S	S	.	.			trans	-81.4	143.4	178.1	-57	173.7	0	0	0	112	L591 L616 C619 V623	L591-L621 HydrophobicContact CD1-CD1 4.02Å; L591-L621 HydrophobicContact CD2-CB 3.62Å; L591-L621 HydrophobicContact CD2-CD1 4.08Å; L591-L621 HydrophobicContact CD2-CG 4.44Å; L616-L621 HydrophobicContact CB-CD1 4.22Å; L616-L621 HydrophobicContact CD2-CD1 3.74Å; L616-L621 WeakPolarHBondContact O-CB 3.26Å; L616-L621 PolarHBondContact O-N 2.98Å; C619-L621 PolarHBondContact O-N 3.01Å; C619-L621 VanDerWaalsContact O-N 3.07Å; L621-V623 PolarHBondContact O-N 3.39Å
622	K	81.7	Confident	85.4	Confident	129 Å²	129	76 Å²	76	56%	0.561	38%	0.378	S	S	*	.			trans	-76.3	87.4	179	-71.5	-177.6	174	-179.4	0	111.7	E584 N588	E584-K622 IonicContact OE1-NZ 2.93Å; E584-K622 PolarHBondContact OE1-NZ 2.87Å; N588-K622 VanDerWaalsContact CB-O 3.28Å; N588-K622 WeakPolarHBondContact CB-O 3.47Å; N588-K622 VanDerWaalsContact CG-O 3.28Å; N588-K622 VanDerWaalsContact OD1-CB 3.27Å; N588-K622 WeakPolarHBondContact OD1-CB 3.39Å; N588-K622 PolarHBondContact OD1-O 3.29Å
623	V	80	Confident	85.4	Confident	17 Å²	17	74 Å²	74	10%	0.103	37%	0.368	C	S	.	.			trans	-88.6	143.6	175.4	-176.8	0	0	0	0	110.7	L591 L592 A613 L616 R617 L621 M628	L591-V623 HydrophobicContact CD2-CG2 3.85Å; L592-V623 HydrophobicContact CD2-CG1 3.85Å; A613-V623 HydrophobicContact CB-CG1 4.06Å; L616-V623 HydrophobicContact CB-CG2 3.88Å; R617-V623 HydrophobicContact CB-CB 4.31Å; R617-V623 HydrophobicContact CB-CG2 4.07Å; L621-V623 PolarHBondContact O-N 3.39Å; V623-M628 HydrophobicContact CG1-CG 4.14Å; V623-M628 HydrophobicContact CG1-SD 3.61Å
624	V	77.7	Confident	85.5	Confident	21 Å²	21	76.2 Å²	76.2	13%	0.127	38%	0.378	C	S	.	.			trans	-91.6	101.8	178.4	-169.9	0	0	0	0	110.7	M585 N588 M589 L592 Q626 Y627	M585-V624 HydrophobicContact SD-CG2 4.17Å; N588-V624 HydrophobicContact CB-CG2 3.59Å; M589-V624 HydrophobicContact SD-CG2 4.25Å; L592-V624 HydrophobicContact CD1-CB 4.06Å; V624-Q626 HydrophobicContact CG1-CB 4.29Å; V624-Q626 PolarHBondContact O-N 3.45Å; V624-Y627 HydrophobicContact CB-CD2 4.2Å; V624-Y627 HydrophobicContact CG1-CD2 3.7Å; V624-Y627 HydrophobicContact CG1-CE2 4.09Å; V624-Y627 PolarHBondContact O-N 3.12Å; V624-Y627 VanDerWaalsContact O-N 3.15Å
625	D	74	Confident	85.5	Confident	103 Å²	103	75.6 Å²	75.6	55%	0.551	38%	0.376	S	S	*	.	G	3₁₀ helix	trans	-53.7	-26.6	-176.9	-64.5	-58.3	0	0	0	114.3	R617 Y627	R617-D625 IonicContact CZ-OD1 3.86Å; R617-D625 IonicContact NH1-OD1 2.71Å; R617-D625 PolarHBondContact NH1-OD1 3.35Å; D625-Y627 VanDerWaalsContact C-N 3.3Å; D625-Y627 PolarHBondContact O-N 3.32Å
626	Q	76.5	Confident	85.5	Confident	143 Å²	143	71.3 Å²	71.3	67%	0.668	35%	0.354	S	S	*	.	G	3₁₀ helix	trans	-68.8	-22.9	-177.4	-173.5	167.1	6.1	0	0	114.2	V624	V624-Q626 HydrophobicContact CG1-CB 4.29Å; V624-Q626 PolarHBondContact O-N 3.45Å
627	Y	79	Confident	85.7	Confident	48 Å²	48	69.5 Å²	69.5	19%	0.188	34%	0.344	C	S	.	.	G	3₁₀ helix	trans	-116.8	25.7	-171.8	-59.9	-63.4	0	0	0	113.4	M589 F609 V624 D625 D632 W1136	M589-Y627 HydrophobicContact CE-CD2 4.14Å; M589-Y627 HydrophobicContact CE-CG 4.45Å; M589-Y627 HydrophobicContact SD-CD2 3.47Å; M589-Y627 WeakPolarHBondContact SD-CD2 3.25Å; M589-Y627 HydrophobicContact SD-CE2 3.91Å; M589-Y627 HydrophobicContact SD-CG 4.28Å; F609-Y627 WeakPolarHBondContact CE1-O 3.35Å; V624-Y627 HydrophobicContact CB-CD2 4.2Å; V624-Y627 HydrophobicContact CG1-CD2 3.7Å; V624-Y627 HydrophobicContact CG1-CE2 4.09Å; V624-Y627 PolarHBondContact O-N 3.12Å; V624-Y627 VanDerWaalsContact O-N 3.15Å; D625-Y627 VanDerWaalsContact C-N 3.3Å; D625-Y627 PolarHBondContact O-N 3.32Å; Y627-D632 WeakPolarHBondContact O-CB 3.4Å; Y627-W1136 HydrophobicContact CD1-CZ2 4.32Å; Y627-W1136 HydrophobicContact CE1-CH2 4.39Å; Y627-W1136 AromaticContact CE1-CZ2 3.86Å; Y627-W1136 HydrophobicContact CE1-CZ2 3.86Å; Y627-W1136 AromaticContact CE2-CH2 3.9Å; Y627-W1136 HydrophobicContact CE2-CH2 3.9Å; Y627-W1136 HydrophobicContact CE2-CZ2 4.09Å; Y627-W1136 AromaticContact CZ-CH2 3.79Å; Y627-W1136 AromaticContact CZ-CZ2 3.73Å
628	M	82.1	Confident	86.1	Confident	8 Å²	8	66.7 Å²	66.7	4%	0.039	34%	0.336	C	S	.	.			trans	-94	15	-175.9	-71.6	174	50.4	0	0	114.4	L592 R610 A613 E614 V623	L592-M628 HydrophobicContact CD2-CG 4.45Å; R610-M628 WeakPolarHBondContact CB-O 3.41Å; R610-M628 HydrophobicContact CG-CE 4.37Å; A613-M628 HydrophobicContact CB-CE 3.77Å; A613-M628 HydrophobicContact CB-CG 3.86Å; A613-M628 HydrophobicContact CB-SD 4.08Å; E614-M628 HydrophobicContact CB-CE 4.5Å; E614-M628 HydrophobicContact CG-CE 3.44Å; E614-M628 VanDerWaalsContact CG-CE 3.44Å; V623-M628 HydrophobicContact CG1-CG 4.14Å; V623-M628 HydrophobicContact CG1-SD 3.61Å
629	N	85.9	Confident	86.1	Confident	83 Å²	83	58.6 Å²	58.6	44%	0.444	30%	0.301	S	S	.	.	S	Bend	trans	-94.1	159.1	-176.9	-46.8	-73.8	0	0	0	112	G631 D632 C633	N629-G631 VanDerWaalsContact C-N 3.27Å; N629-G631 PolarHBondContact O-N 3.36Å; N629-D632 WeakPolarHBondContact CB-OD2 3.29Å; N629-D632 PolarHBondContact ND2-OD2 3.25Å; N629-D632 PolarHBondContact O-N 2.96Å; N629-C633 PolarHBondContact O-N 3.37Å
630	E	86.3	Confident	86.3	Confident	106 Å²	106	54.9 Å²	54.9	50%	0.495	28%	0.276	S	S	.	.	H	α-helix	trans	-57.3	-38.5	177.7	-63.9	-179.6	-162.8	0	0	112.9	L607 C633 Q634	L607-E630 WeakPolarHBondContact CB-OE1 3.42Å; E630-C633 WeakPolarHBondContact O-CB 3.48Å; E630-C633 PolarHBondContact O-N 3.48Å; E630-Q634 WeakPolarHBondContact O-CG 3.09Å; E630-Q634 PolarHBondContact O-N 2.98Å
631	G	85.8	Confident	86.6	Confident	37 Å²	37	46.1 Å²	46.1	38%	0.381	24%	0.235	S	C	.	.	H	α-helix	trans	-68.1	-32.8	175.8	0	0	0	0	0	113.4	N629 I635	N629-G631 VanDerWaalsContact C-N 3.27Å; N629-G631 PolarHBondContact O-N 3.36Å; G631-I635 WeakPolarHBondContact O-CG1 3.47Å; G631-I635 PolarHBondContact O-N 3.34Å
632	D	85.2	Confident	86.8	Confident	33 Å²	33	46.7 Å²	46.7	18%	0.176	23%	0.231	C	C	.	.	H	α-helix	trans	-70.7	-42.1	172.5	-63.9	-64.8	0	0	0	110.5	Y627 N629 Q634 I635 L636	Y627-D632 WeakPolarHBondContact O-CB 3.4Å; N629-D632 WeakPolarHBondContact CB-OD2 3.29Å; N629-D632 PolarHBondContact ND2-OD2 3.25Å; N629-D632 PolarHBondContact O-N 2.96Å; D632-Q634 VanDerWaalsContact C-N 3.28Å; D632-Q634 PolarHBondContact O-N 2.88Å; D632-I635 WeakPolarHBondContact O-CB 3.47Å; D632-I635 PolarHBondContact O-N 3.03Å; D632-I635 VanDerWaalsContact O-N 3.08Å; D632-L636 WeakPolarHBondContact O-CG 3.37Å; D632-L636 PolarHBondContact O-N 3.13Å
633	C	91.1	Very high	87.3	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-55.7	-42.6	173.8	-171.5	0	0	0	0	112.2	F609 N629 E630 L636 I637	F609-C633 HydrophobicContact CB-CB 4Å; F609-C633 HydrophobicContact CD1-CB 3.59Å; F609-C633 HydrophobicContact CD2-CB 4.17Å; F609-C633 VanDerWaalsContact CD2-SG 3.58Å; F609-C633 HydrophobicContact CE1-CB 4.02Å; F609-C633 HydrophobicContact CG-CB 3.66Å; F609-C633 VanDerWaalsContact CG-SG 3.56Å; F609-C633 HydrophobicContact CZ-CB 4.48Å; N629-C633 PolarHBondContact O-N 3.37Å; E630-C633 WeakPolarHBondContact O-CB 3.48Å; E630-C633 PolarHBondContact O-N 3.48Å; C633-L636 PolarHBondContact O-N 3.24Å; C633-I637 WeakPolarHBondContact O-CB 3.16Å; C633-I637 WeakPolarHBondContact O-CG1 3.21Å; C633-I637 PolarHBondContact O-N 2.68Å
634	Q	91.4	Very high	87.9	Confident	47 Å²	47	40.8 Å²	40.8	22%	0.22	21%	0.206	C	C	.	.	H	α-helix	trans	-61.4	-44	175	-73	168.9	36.4	0	0	111.9	Y606 E630 D632 I637 H638	Y606-Q634 HydrophobicContact CD1-CG 4.15Å; Y606-Q634 HydrophobicContact CD2-CG 3.77Å; Y606-Q634 HydrophobicContact CE1-CG 3.96Å; Y606-Q634 HydrophobicContact CE2-CG 3.55Å; Y606-Q634 HydrophobicContact CG-CG 4.06Å; E630-Q634 WeakPolarHBondContact O-CG 3.09Å; E630-Q634 PolarHBondContact O-N 2.98Å; D632-Q634 VanDerWaalsContact C-N 3.28Å; D632-Q634 PolarHBondContact O-N 2.88Å; Q634-I637 PolarHBondContact O-N 2.89Å; Q634-H638 WeakPolarHBondContact O-CB 3.41Å; Q634-H638 PolarHBondContact O-N 3.12Å
635	I	90.1	Very high	88.6	Confident	55 Å²	55	41.8 Å²	41.8	28%	0.282	21%	0.208	S	C	.	.	H	α-helix	trans	-63	-45.4	176.6	-68.6	165.7	0	0	0	110.9	G631 D632 I637 H638 H639	G631-I635 WeakPolarHBondContact O-CG1 3.47Å; G631-I635 PolarHBondContact O-N 3.34Å; D632-I635 WeakPolarHBondContact O-CB 3.47Å; D632-I635 PolarHBondContact O-N 3.03Å; D632-I635 VanDerWaalsContact O-N 3.08Å; I635-I637 PolarHBondContact O-N 2.9Å; I635-H638 PolarHBondContact O-N 3.36Å; I635-H639 PolarHBondContact O-CD2 2.69Å; I635-H639 PolarHBondContact O-N 3.14Å; I635-H639 VanDerWaalsContact O-N 3.1Å
636	L	91.5	Very high	89.3	Confident	2 Å²	2	40.3 Å²	40.3	1%	0.01	20%	0.198	C	C	.	.	H	α-helix	trans	-59.7	-47.5	177.5	-63.8	175.1	0	0	0	111.1	M589 L592 F593 A596 F609 D632 C633 H638 H639 I640	M589-L636 HydrophobicContact CE-CD2 3.82Å; L592-L636 HydrophobicContact CB-CD1 4.03Å; F593-L636 HydrophobicContact CD1-CB 4.48Å; F593-L636 HydrophobicContact CD1-CD2 4.29Å; F593-L636 HydrophobicContact CD2-CD2 3.83Å; F593-L636 HydrophobicContact CE1-CB 4.36Å; F593-L636 HydrophobicContact CE1-CD2 3.93Å; F593-L636 HydrophobicContact CE2-CD2 3.42Å; F593-L636 VanDerWaalsContact CE2-CD2 3.42Å; F593-L636 HydrophobicContact CG-CD2 4.24Å; F593-L636 HydrophobicContact CZ-CD2 3.47Å; F593-L636 VanDerWaalsContact CZ-CD2 3.47Å; A596-L636 HydrophobicContact CB-CB 3.9Å; A596-L636 HydrophobicContact CB-CD1 4.21Å; F609-L636 HydrophobicContact CE1-CD1 4.41Å; F609-L636 HydrophobicContact CE2-CD1 4.48Å; F609-L636 HydrophobicContact CZ-CD1 3.72Å; D632-L636 WeakPolarHBondContact O-CG 3.37Å; D632-L636 PolarHBondContact O-N 3.13Å; C633-L636 PolarHBondContact O-N 3.24Å; L636-H638 VanDerWaalsContact C-N 3.34Å; L636-H638 PolarHBondContact O-N 2.93Å; L636-H639 PolarHBondContact O-N 2.83Å; L636-I640 WeakPolarHBondContact O-CD1 3.49Å; L636-I640 VanDerWaalsContact O-CG1 3.28Å; L636-I640 WeakPolarHBondContact O-CG1 3.12Å; L636-I640 PolarHBondContact O-N 2.78Å
637	I	95.4	Very high	90	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.005	18%	0.175	C	C	.	.	H	α-helix	trans	-59.4	-42.1	176.7	-78.3	165.8	0	0	0	111.8	A596 L599 A600 Y606 C633 Q634 I635 H639 I640 A641 D1113 L1114 I1117	A596-I637 HydrophobicContact CB-CG1 4.11Å; L599-I637 HydrophobicContact CD2-CD1 4.03Å; A600-I637 HydrophobicContact CB-CD1 3.94Å; A600-I637 HydrophobicContact CB-CG1 4.05Å; Y606-I637 HydrophobicContact CD1-CD1 4.01Å; Y606-I637 HydrophobicContact CE1-CD1 3.68Å; C633-I637 WeakPolarHBondContact O-CB 3.16Å; C633-I637 WeakPolarHBondContact O-CG1 3.21Å; C633-I637 PolarHBondContact O-N 2.68Å; Q634-I637 PolarHBondContact O-N 2.89Å; I635-I637 PolarHBondContact O-N 2.9Å; I637-H639 PolarHBondContact O-N 3.43Å; I637-I640 PolarHBondContact O-N 3.03Å; I637-A641 WeakPolarHBondContact O-CB 3.29Å; I637-A641 PolarHBondContact O-N 2.91Å; I637-D1113 HydrophobicContact CG2-CB 4.17Å; I637-L1114 HydrophobicContact CD1-CD2 4.18Å; I637-L1114 HydrophobicContact CG2-CD2 4.15Å; I637-I1117 HydrophobicContact CB-CD1 4.44Å; I637-I1117 HydrophobicContact CG1-CD1 4.39Å; I637-I1117 HydrophobicContact CG2-CD1 3.98Å
638	H	94.7	Very high	90.5	Very high	52 Å²	52	33 Å²	33	24%	0.241	17%	0.166	C	C	.	.	H	α-helix	trans	-59.9	-46.3	176	-176.2	77.5	0	0	0	112.4	Q634 I635 L636 I640 A641 R642 E1109 D1113	Q634-H638 WeakPolarHBondContact O-CB 3.41Å; Q634-H638 PolarHBondContact O-N 3.12Å; I635-H638 PolarHBondContact O-N 3.36Å; L636-H638 VanDerWaalsContact C-N 3.34Å; L636-H638 PolarHBondContact O-N 2.93Å; H638-I640 VanDerWaalsContact C-N 3.33Å; H638-I640 PolarHBondContact O-N 2.94Å; H638-A641 PolarHBondContact O-N 2.98Å; H638-R642 WeakPolarHBondContact O-CB 3.36Å; H638-R642 PolarHBondContact O-N 2.62Å; H638-E1109 IonicContact CE1-OE1 3.69Å; H638-D1113 IonicContact CE1-OD2 3.52Å; H638-D1113 IonicContact CG-OD2 3.26Å; H638-D1113 IonicContact ND1-OD1 3.25Å; H638-D1113 IonicContact ND1-OD2 3.9Å; H638-D1113 PolarHBondContact ND1-OD2 3.06Å
639	H	91.9	Very high	90.8	Very high	5 Å²	5	33 Å²	33	2%	0.023	17%	0.167	C	C	.	.	H	α-helix	trans	-66.8	-31.9	177.4	-73.2	-78.4	0	0	0	112.9	F593 I635 L636 I637 A643 A1132 S1135 W1136 E1139	F593-H639 HydrophobicContact CE1-CB 4.19Å; I635-H639 PolarHBondContact O-CD2 2.69Å; I635-H639 PolarHBondContact O-N 3.14Å; I635-H639 VanDerWaalsContact O-N 3.1Å; L636-H639 PolarHBondContact O-N 2.83Å; I637-H639 PolarHBondContact O-N 3.43Å; H639-A643 WeakPolarHBondContact O-CB 3.47Å; H639-A643 PolarHBondContact O-N 2.96Å; H639-A1132 HydrophobicContact CB-CB 4.47Å; H639-S1135 PolarHBondContact ND1-OG 3.21Å; H639-W1136 AromaticContact CD2-CD1 3.56Å; H639-W1136 AromaticContact NE2-CD1 3.66Å; H639-E1139 IonicContact CE1-OE2 3.99Å
640	I	95.4	Very high	90.9	Very high	1 Å²	1	33 Å²	33	1%	0.005	16%	0.164	C	C	.	.	H	α-helix	trans	-69.6	-50.3	174.6	-58.9	157.5	0	0	0	111	F593 A596 Y597 L636 I637 H638 R642 A643 L644 I1117 F1127 A1132	F593-I640 HydrophobicContact CD1-CD1 3.84Å; F593-I640 HydrophobicContact CD1-CG1 3.58Å; F593-I640 HydrophobicContact CE1-CG1 3.98Å; A596-I640 HydrophobicContact CB-CD1 4.44Å; Y597-I640 HydrophobicContact CD2-CG2 3.81Å; Y597-I640 HydrophobicContact CE2-CG2 4.34Å; L636-I640 WeakPolarHBondContact O-CD1 3.49Å; L636-I640 VanDerWaalsContact O-CG1 3.28Å; L636-I640 WeakPolarHBondContact O-CG1 3.12Å; L636-I640 PolarHBondContact O-N 2.78Å; I637-I640 PolarHBondContact O-N 3.03Å; H638-I640 VanDerWaalsContact C-N 3.33Å; H638-I640 PolarHBondContact O-N 2.94Å; I640-R642 PolarHBondContact O-N 2.97Å; I640-A643 PolarHBondContact O-N 3.27Å; I640-A643 VanDerWaalsContact O-N 3.14Å; I640-L644 HydrophobicContact CG2-CD1 4.22Å; I640-L644 WeakPolarHBondContact O-CG 3.29Å; I640-L644 PolarHBondContact O-N 2.87Å; I640-I1117 HydrophobicContact CB-CD1 3.96Å; I640-I1117 HydrophobicContact CG2-CD1 3.93Å; I640-I1117 HydrophobicContact CG2-CG1 4.06Å; I640-F1127 HydrophobicContact CD1-CZ 4.35Å; I640-F1127 HydrophobicContact CG1-CZ 4.14Å; I640-F1127 HydrophobicContact CG2-CE2 3.65Å; I640-F1127 HydrophobicContact CG2-CZ 3.77Å; I640-A1132 HydrophobicContact CB-CB 4.31Å; I640-A1132 HydrophobicContact CG1-CB 3.86Å
641	A	95.4	Very high	90.9	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-61.4	-36.4	177.8	0	0	0	0	0	111.5	I637 H638 R645 D1113 T1116 I1117	I637-A641 WeakPolarHBondContact O-CB 3.29Å; I637-A641 PolarHBondContact O-N 2.91Å; H638-A641 PolarHBondContact O-N 2.98Å; A641-R645 WeakPolarHBondContact O-CG 3.46Å; A641-R645 PolarHBondContact O-N 2.91Å; A641-D1113 HydrophobicContact CB-CB 3.7Å; A641-D1113 WeakPolarHBondContact CB-O 3.45Å; A641-D1113 WeakPolarHBondContact CB-OD1 3.45Å; A641-T1116 HydrophobicContact CB-CG2 4.23Å; A641-I1117 HydrophobicContact CB-CD1 4.44Å; A641-I1117 HydrophobicContact CB-CG1 4.31Å
642	R	91.9	Very high	91	Very high	89 Å²	89	29.9 Å²	29.9	34%	0.336	14%	0.137	S	C	.	.	H	α-helix	trans	-60.2	-50.6	170.7	179.3	-177.5	177	118.3	19.7	112.2	H638 I640 L644 R645 E646	H638-R642 WeakPolarHBondContact O-CB 3.36Å; H638-R642 PolarHBondContact O-N 2.62Å; I640-R642 PolarHBondContact O-N 2.97Å; R642-L644 VanDerWaalsContact C-N 3.33Å; R642-L644 PolarHBondContact O-N 3.28Å; R642-R645 PolarHBondContact O-N 2.79Å; R642-R645 VanDerWaalsContact O-N 3.13Å; R642-E646 HydrophobicContact CG-CG 4.49Å; R642-E646 IonicContact CZ-OE1 2.77Å; R642-E646 IonicContact NE-OE1 3.7Å; R642-E646 PolarHBondContact NE-OE1 2.97Å; R642-E646 IonicContact NH2-OE1 2.68Å; R642-E646 PolarHBondContact NH2-OE1 3.05Å; R642-E646 WeakPolarHBondContact O-CG 3.49Å; R642-E646 PolarHBondContact O-N 2.82Å
643	A	91.6	Very high	91	Very high	7 Å²	7	35.3 Å²	35.3	6%	0.058	16%	0.155	C	C	.	.	H	α-helix	trans	-59.8	-43.6	179.4	0	0	0	0	0	111.6	H639 I640 R645 E646 D647 R1131 A1132	H639-A643 WeakPolarHBondContact O-CB 3.47Å; H639-A643 PolarHBondContact O-N 2.96Å; I640-A643 PolarHBondContact O-N 3.27Å; I640-A643 VanDerWaalsContact O-N 3.14Å; A643-R645 VanDerWaalsContact C-N 3.32Å; A643-R645 PolarHBondContact O-N 3.15Å; A643-E646 PolarHBondContact O-N 3.11Å; A643-D647 PolarHBondContact O-N 3.39Å; A643-R1131 HydrophobicContact CB-CB 3.98Å; A643-A1132 HydrophobicContact CB-CB 4.13Å
644	L	93.4	Very high	90.7	Very high	16 Å²	16	42 Å²	42	8%	0.084	19%	0.186	C	C	.	.	H	α-helix	trans	-61.9	-35.4	175	-68	173	0	0	0	112.9	I640 R642 L648 T1116 I1117	I640-L644 HydrophobicContact CG2-CD1 4.22Å; I640-L644 WeakPolarHBondContact O-CG 3.29Å; I640-L644 PolarHBondContact O-N 2.87Å; R642-L644 VanDerWaalsContact C-N 3.33Å; R642-L644 PolarHBondContact O-N 3.28Å; L644-L648 WeakPolarHBondContact O-CB 3.45Å; L644-L648 PolarHBondContact O-N 3.42Å; L644-T1116 HydrophobicContact CB-CG2 3.75Å; L644-T1116 HydrophobicContact CD1-CG2 4.25Å; L644-I1117 HydrophobicContact CD1-CG1 4.02Å
645	R	91.1	Very high	90.4	Very high	41 Å²	41	39.9 Å²	39.9	16%	0.155	18%	0.176	C	C	.	.	H	α-helix	trans	-70.8	-39.6	172.9	-75.3	-176	-65	-100.8	7.4	112.8	A641 R642 A643 L648 V649 L716 D1113 T1116	A641-R645 WeakPolarHBondContact O-CG 3.46Å; A641-R645 PolarHBondContact O-N 2.91Å; R642-R645 PolarHBondContact O-N 2.79Å; R642-R645 VanDerWaalsContact O-N 3.13Å; A643-R645 VanDerWaalsContact C-N 3.32Å; A643-R645 PolarHBondContact O-N 3.15Å; R645-L648 PolarHBondContact O-N 2.77Å; R645-V649 VanDerWaalsContact O-CG2 3.31Å; R645-V649 WeakPolarHBondContact O-CG2 3.41Å; R645-V649 PolarHBondContact O-N 3.16Å; R645-L716 HydrophobicContact CB-CD2 4.27Å; R645-D1113 IonicContact CZ-OD1 2.74Å; R645-D1113 IonicContact NH1-OD1 3.68Å; R645-D1113 PolarHBondContact NH1-OD1 2.88Å; R645-D1113 IonicContact NH2-OD1 2.9Å; R645-D1113 PolarHBondContact NH2-OD1 3.17Å; R645-T1116 HydrophobicContact CG-CG2 4.1Å; R645-T1116 PolarHBondContact NH1-OG1 3.5Å
646	E	90	Very high	90.1	Very high	73 Å²	73	39.9 Å²	39.9	34%	0.341	18%	0.18	S	C	.	.	H	α-helix	trans	-65.2	-41.7	176.3	-72.1	174.8	176.4	0	0	110.9	R642 A643 V649 E650	R642-E646 HydrophobicContact CG-CG 4.49Å; R642-E646 IonicContact CZ-OE1 2.77Å; R642-E646 IonicContact NE-OE1 3.7Å; R642-E646 PolarHBondContact NE-OE1 2.97Å; R642-E646 IonicContact NH2-OE1 2.68Å; R642-E646 PolarHBondContact NH2-OE1 3.05Å; R642-E646 WeakPolarHBondContact O-CG 3.49Å; R642-E646 PolarHBondContact O-N 2.82Å; A643-E646 PolarHBondContact O-N 3.11Å; E646-V649 PolarHBondContact O-N 2.99Å; E646-E650 PolarHBondContact O-N 3.4Å
647	D	89.8	Confident	89.9	Confident	35 Å²	35	40 Å²	40	19%	0.187	18%	0.181	C	C	.	.	H	α-helix	trans	-59.9	-46.7	170.8	-73.1	-4.8	0	0	0	112.5	A643 V649 E650 R651 R1131	A643-D647 PolarHBondContact O-N 3.39Å; D647-V649 VanDerWaalsContact C-N 3.31Å; D647-V649 PolarHBondContact O-N 3.13Å; D647-E650 WeakPolarHBondContact O-CB 3.37Å; D647-E650 PolarHBondContact O-N 3.16Å; D647-R651 WeakPolarHBondContact O-CG 3.47Å; D647-R651 PolarHBondContact O-N 2.99Å; D647-R1131 WeakPolarHBondContact OD1-CD 3.44Å; D647-R1131 IonicContact OD1-CZ 2.71Å; D647-R1131 VanDerWaalsContact OD1-CZ 3.26Å; D647-R1131 IonicContact OD1-NE 3.55Å; D647-R1131 PolarHBondContact OD1-NE 2.91Å; D647-R1131 IonicContact OD1-NH1 2.89Å; D647-R1131 PolarHBondContact OD1-NH1 3.05Å
648	L	90	Very high	89.6	Confident	1 Å²	1	40.4 Å²	40.4	1%	0.005	18%	0.183	C	C	.	.	H	α-helix	trans	-61	-40.6	177	171	57	0	0	0	111.2	L644 R645 E650 R651 I652 V678 Y680 E690 L692	L644-L648 WeakPolarHBondContact O-CB 3.45Å; L644-L648 PolarHBondContact O-N 3.42Å; R645-L648 PolarHBondContact O-N 2.77Å; L648-E650 VanDerWaalsContact C-N 3.34Å; L648-E650 PolarHBondContact O-N 3.21Å; L648-R651 PolarHBondContact O-N 2.97Å; L648-R651 VanDerWaalsContact O-N 3.17Å; L648-I652 HydrophobicContact CD1-CD1 3.86Å; L648-I652 HydrophobicContact CD1-CG1 3.96Å; L648-I652 HydrophobicContact CG-CD1 3.84Å; L648-I652 HydrophobicContact CG-CG1 4.42Å; L648-I652 VanDerWaalsContact O-CG1 3.28Å; L648-I652 WeakPolarHBondContact O-CG1 3.3Å; L648-I652 PolarHBondContact O-N 3.02Å; L648-V678 HydrophobicContact CD1-CG2 4.17Å; L648-V678 HydrophobicContact CD2-CG2 4.4Å; L648-Y680 HydrophobicContact CD1-CD1 4.46Å; L648-Y680 HydrophobicContact CD1-CE1 3.78Å; L648-E690 HydrophobicContact CD1-CB 4.02Å; L648-E690 HydrophobicContact CD1-CG 4.46Å; L648-E690 HydrophobicContact CD2-CB 4.18Å; L648-L692 HydrophobicContact CD2-CD1 4.06Å
649	V	88.5	Confident	89.5	Confident	9 Å²	9	38 Å²	38	6%	0.055	17%	0.172	C	C	.	.	H	α-helix	trans	-63.3	-38.4	174.6	167	0	0	0	0	111.8	R645 E646 D647 R653 L716 I718	R645-V649 VanDerWaalsContact O-CG2 3.31Å; R645-V649 WeakPolarHBondContact O-CG2 3.41Å; R645-V649 PolarHBondContact O-N 3.16Å; E646-V649 PolarHBondContact O-N 2.99Å; D647-V649 VanDerWaalsContact C-N 3.31Å; D647-V649 PolarHBondContact O-N 3.13Å; V649-R653 HydrophobicContact CG1-CG 4.49Å; V649-R653 VanDerWaalsContact O-CB 3.27Å; V649-R653 WeakPolarHBondContact O-CB 3.3Å; V649-R653 WeakPolarHBondContact O-CG 3.34Å; V649-R653 PolarHBondContact O-N 3.13Å; V649-L716 HydrophobicContact CG2-CB 3.76Å; V649-L716 HydrophobicContact CG2-CD1 3.97Å; V649-L716 HydrophobicContact CG2-CD2 3.88Å; V649-L716 HydrophobicContact CG2-CG 4.08Å; V649-I718 HydrophobicContact CG1-CD1 4.41Å; V649-I718 HydrophobicContact CG2-CD1 4.33Å
650	E	87.6	Confident	89.6	Confident	84 Å²	84	37.9 Å²	37.9	39%	0.393	17%	0.172	S	C	.	.	H	α-helix	trans	-62.1	-41.6	171.7	-71.7	176.1	173.3	0	0	111.8	E646 D647 L648 R653 Q654 R1131	E646-E650 PolarHBondContact O-N 3.4Å; D647-E650 WeakPolarHBondContact O-CB 3.37Å; D647-E650 PolarHBondContact O-N 3.16Å; L648-E650 VanDerWaalsContact C-N 3.34Å; L648-E650 PolarHBondContact O-N 3.21Å; E650-R653 CarbonylContact O-C 3.53Å; E650-R653 PolarHBondContact O-N 3.42Å; E650-Q654 WeakPolarHBondContact O-CG 3.35Å; E650-Q654 PolarHBondContact O-N 2.66Å; E650-R1131 IonicContact OE1-CZ 3.88Å; E650-R1131 IonicContact OE1-NH1 3.29Å; E650-R1131 IonicContact OE1-NH2 3.43Å; E650-R1131 PolarHBondContact OE1-NH2 3.15Å; E650-R1131 IonicContact OE2-CZ 3.42Å; E650-R1131 IonicContact OE2-NH1 3.84Å; E650-R1131 PolarHBondContact OE2-NH1 2.94Å; E650-R1131 IonicContact OE2-NH2 2.78Å; E650-R1131 PolarHBondContact OE2-NH2 3.06Å
651	R	88	Confident	89.5	Confident	68 Å²	68	37.8 Å²	37.8	26%	0.257	17%	0.171	S	C	.	.	H	α-helix	trans	-67.1	-44	177	-66.3	-169.2	-67.2	-94.1	6.3	112.9	D647 L648 R653 Q654 S655 Y680 E690	D647-R651 WeakPolarHBondContact O-CG 3.47Å; D647-R651 PolarHBondContact O-N 2.99Å; L648-R651 PolarHBondContact O-N 2.97Å; L648-R651 VanDerWaalsContact O-N 3.17Å; R651-R653 VanDerWaalsContact C-N 3.3Å; R651-R653 PolarHBondContact O-N 3.24Å; R651-Q654 WeakPolarHBondContact O-CB 3.39Å; R651-Q654 PolarHBondContact O-N 3.08Å; R651-S655 PolarHBondContact O-N 3.09Å; R651-S655 VanDerWaalsContact O-N 3.07Å; R651-Y680 HydrophobicContact CB-CE2 3.73Å; R651-Y680 WeakPolarHBondContact CD-OH 3.31Å; R651-Y680 PolarHBondContact NE-OH 2.97Å; R651-E690 IonicContact CZ-OE1 3.17Å; R651-E690 IonicContact CZ-OE2 2.66Å; R651-E690 IonicContact NE-OE1 2.71Å; R651-E690 PolarHBondContact NE-OE1 2.63Å; R651-E690 VanDerWaalsContact NE-OE1 3.15Å; R651-E690 VanDerWaalsContact NH2-CD 3.27Å; R651-E690 IonicContact NH2-OE1 3.26Å; R651-E690 PolarHBondContact NH2-OE1 2.88Å; R651-E690 IonicContact NH2-OE2 2.74Å; R651-E690 PolarHBondContact NH2-OE2 3.33Å
652	I	87.4	Confident	89.4	Confident	8 Å²	8	37.9 Å²	37.9	4%	0.041	17%	0.172	C	C	.	.	H	α-helix	trans	-60.1	-41.3	172.4	-64.3	162	0	0	0	110.3	L648 Q654 S655 L658 V678 L692 I718 K724	L648-I652 HydrophobicContact CD1-CD1 3.86Å; L648-I652 HydrophobicContact CD1-CG1 3.96Å; L648-I652 HydrophobicContact CG-CD1 3.84Å; L648-I652 HydrophobicContact CG-CG1 4.42Å; L648-I652 VanDerWaalsContact O-CG1 3.28Å; L648-I652 WeakPolarHBondContact O-CG1 3.3Å; L648-I652 PolarHBondContact O-N 3.02Å; I652-Q654 PolarHBondContact O-N 2.85Å; I652-Q654 VanDerWaalsContact O-N 3.16Å; I652-S655 PolarHBondContact O-N 3.28Å; I652-L658 HydrophobicContact CG2-CD2 4.2Å; I652-V678 HydrophobicContact CD1-CG2 4.09Å; I652-L692 HydrophobicContact CD1-CD1 4.2Å; I652-I718 HydrophobicContact CG2-CD1 4.26Å; I652-K724 PolarHBondContact O-NZ 3.17Å
653	R	84.1	Confident	89.3	Confident	147 Å²	147	33.6 Å²	33.6	56%	0.555	16%	0.156	S	C	*	.	H	α-helix	trans	-66	-10.4	174.5	-75.1	173.3	-179.1	157.3	5.7	113.9	V649 E650 R651 K724	V649-R653 HydrophobicContact CG1-CG 4.49Å; V649-R653 VanDerWaalsContact O-CB 3.27Å; V649-R653 WeakPolarHBondContact O-CB 3.3Å; V649-R653 WeakPolarHBondContact O-CG 3.34Å; V649-R653 PolarHBondContact O-N 3.13Å; E650-R653 CarbonylContact O-C 3.53Å; E650-R653 PolarHBondContact O-N 3.42Å; R651-R653 VanDerWaalsContact C-N 3.3Å; R651-R653 PolarHBondContact O-N 3.24Å; R653-K724 PolarHBondContact O-NZ 3.28Å
654	Q	85	Confident	89.1	Confident	141 Å²	141	33.3 Å²	33.3	66%	0.659	15%	0.153	S	C	*	.	H	α-helix	trans	-97.8	-34.3	169.7	-66.6	170.6	26.7	0	0	114.1	E650 R651 I652	E650-Q654 WeakPolarHBondContact O-CG 3.35Å; E650-Q654 PolarHBondContact O-N 2.66Å; R651-Q654 WeakPolarHBondContact O-CB 3.39Å; R651-Q654 PolarHBondContact O-N 3.08Å; I652-Q654 PolarHBondContact O-N 2.85Å; I652-Q654 VanDerWaalsContact O-N 3.16Å
655	S	86.5	Confident	88.4	Confident	2 Å²	2	34 Å²	34	1%	0.014	16%	0.156	C	C	.	.			trans	-59.8	138.1	-177.1	-170.8	0	0	0	0	114.2	R651 I652 C657 T681 K724	R651-S655 PolarHBondContact O-N 3.09Å; R651-S655 VanDerWaalsContact O-N 3.07Å; I652-S655 PolarHBondContact O-N 3.28Å; S655-C657 VanDerWaalsContact C-N 3.34Å; S655-C657 WeakPolarHBondContact CB-O 2.98Å; S655-C657 PolarHBondContact O-N 3.38Å; S655-C657 PolarHBondContact OG-O 2.85Å; S655-T681 WeakPolarHBondContact CA-O 3.34Å; S655-T681 WeakPolarHBondContact CB-O 3.47Å; S655-T681 PolarHBondContact OG-N 3.19Å; S655-T681 PolarHBondContact OG-O 2.86Å; S655-T681 VanDerWaalsContact OG-O 3.13Å; S655-K724 WeakPolarHBondContact O-CD 3.35Å; S655-K724 WeakPolarHBondContact O-CE 3.12Å; S655-K724 PolarHBondContact O-NZ 3.01Å
656	P	82.8	Confident	87.3	Confident	56 Å²	56	33.7 Å²	33.7	36%	0.364	16%	0.16	S	C	.	.	S	Bend	trans	-69	-29.6	-179.3	27.2	-34.7	0	0	0	113.7	T681 Q1076	P656-T681 HydrophobicContact CG-CG2 4.02Å; P656-Q1076 HydrophobicContact CG-CB 4.35Å; P656-Q1076 HydrophobicContact CG-CG 4.48Å
657	C	86.7	Confident	86	Confident	5 Å²	5	32.3 Å²	32.3	3%	0.034	16%	0.155	C	C	.	.			trans	-145.6	169.7	178	55.4	0	0	0	0	109.8	S655 P725 V727	S655-C657 VanDerWaalsContact C-N 3.34Å; S655-C657 WeakPolarHBondContact CB-O 2.98Å; S655-C657 PolarHBondContact O-N 3.38Å; S655-C657 PolarHBondContact OG-O 2.85Å; C657-P725 HydrophobicContact CB-CG 4.18Å; C657-V727 HydrophobicContact CB-CG1 3.9Å; C657-V727 HydrophobicContact CB-CG2 4.01Å
658	L	90.6	Very high	84.4	Confident	9 Å²	9	36.3 Å²	36.3	5%	0.047	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	158.1	174.7	71.3	96.9	0	0	0	111.6	I652 V660 Q679 F713 P725 T726 V727	I652-L658 HydrophobicContact CG2-CD2 4.2Å; L658-V660 HydrophobicContact CD1-CG2 3.81Å; L658-Q679 CarbonylContact C-O 3.45Å; L658-Q679 WeakPolarHBondContact CA-O 3.33Å; L658-F713 HydrophobicContact CD1-CZ 4.45Å; L658-P725 PolarHBondContact N-O 2.83Å; L658-T726 HydrophobicContact CD1-CG2 4.04Å; L658-T726 WeakPolarHBondContact CD1-OG1 3.24Å; L658-T726 CarbonylContact O-C 3.06Å; L658-T726 VanDerWaalsContact O-CA 3.27Å; L658-T726 WeakPolarHBondContact O-CA 3.38Å; L658-V727 WeakPolarHBondContact O-CG2 3.35Å; L658-V727 PolarHBondContact O-N 2.86Å
659	S	92.7	Very high	82.7	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	153.9	166.9	-62.2	0	0	0	0	110.5	V678 Q679 G728 V1080	S659-V678 WeakPolarHBondContact O-CA 3.45Å; S659-Q679 PolarHBondContact N-O 3.34Å; S659-Q679 PolarHBondContact O-N 2.91Å; S659-G728 CarbonylContact C-O 3.6Å; S659-G728 WeakPolarHBondContact CA-O 3.38Å; S659-G728 VanDerWaalsContact CB-O 3.26Å; S659-G728 WeakPolarHBondContact CB-O 3.45Å; S659-G728 VanDerWaalsContact OG-CA 3.23Å; S659-G728 WeakPolarHBondContact OG-CA 3.41Å; S659-G728 PolarHBondContact OG-N 3.41Å; S659-G728 VanDerWaalsContact OG-N 3.14Å; S659-V1080 WeakPolarHBondContact CB-O 3.38Å; S659-V1080 PolarHBondContact OG-O 3.04Å
660	V	93.1	Very high	81.5	Confident	3 Å²	3	46.5 Å²	46.5	2%	0.018	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	141	178.6	-172.1	0	0	0	0	110	L658 L662 V676 L709 F713 L720 T726 G728 L729 G730	L658-V660 HydrophobicContact CD1-CG2 3.81Å; V660-L662 HydrophobicContact CG1-CD2 4.45Å; V660-V676 HydrophobicContact CG1-CG1 4.05Å; V660-L709 HydrophobicContact CG1-CD2 3.69Å; V660-F713 HydrophobicContact CG1-CE2 4.25Å; V660-F713 HydrophobicContact CG2-CE2 3.96Å; V660-F713 HydrophobicContact CG2-CZ 3.7Å; V660-L720 HydrophobicContact CG2-CD2 4.37Å; V660-T726 HydrophobicContact CG2-CG2 3.93Å; V660-G728 PolarHBondContact N-O 3.01Å; V660-L729 HydrophobicContact CB-CD1 4.4Å; V660-L729 WeakPolarHBondContact O-CA 3.45Å; V660-G730 PolarHBondContact O-N 2.87Å
661	I	93.6	Very high	80.5	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	132	177.4	-71.7	155	0	0	0	108.3	Y677 Q679 T689 G730 F760 P1082 C1088	I661-Y677 HydrophobicContact CG2-CD2 4.07Å; I661-Y677 PolarHBondContact N-O 3.46Å; I661-Y677 PolarHBondContact O-N 3.14Å; I661-Q679 HydrophobicContact CD1-CB 4.41Å; I661-T689 HydrophobicContact CD1-CG2 3.85Å; I661-G730 WeakPolarHBondContact CA-O 3.42Å; I661-F760 HydrophobicContact CB-CE1 4.31Å; I661-F760 HydrophobicContact CB-CZ 4.32Å; I661-F760 HydrophobicContact CD1-CE1 4.4Å; I661-F760 HydrophobicContact CD1-CE2 4.01Å; I661-F760 HydrophobicContact CD1-CZ 3.59Å; I661-F760 HydrophobicContact CG1-CE1 4.12Å; I661-F760 HydrophobicContact CG1-CE2 4.12Å; I661-F760 HydrophobicContact CG1-CZ 3.71Å; I661-F760 HydrophobicContact CG2-CD1 4.07Å; I661-F760 HydrophobicContact CG2-CE1 3.25Å; I661-F760 HydrophobicContact CG2-CZ 3.62Å; I661-P1082 HydrophobicContact CD1-CB 3.89Å; I661-P1082 HydrophobicContact CG1-CB 3.63Å; I661-C1088 VanDerWaalsContact CG2-SG 3.59Å
662	L	92.3	Very high	80.3	Confident	1 Å²	1	42.6 Å²	42.6	1%	0.005	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	124.6	175.7	-61.5	-179.5	0	0	0	110.1	V660 V674 V676 Y705 L709 G730 V731 D732 M744	V660-L662 HydrophobicContact CG1-CD2 4.45Å; L662-V674 HydrophobicContact CB-CG2 3.93Å; L662-V674 HydrophobicContact CD2-CG2 3.92Å; L662-V674 HydrophobicContact CG-CG2 4.43Å; L662-V676 HydrophobicContact CD2-CB 4.25Å; L662-V676 HydrophobicContact CD2-CG1 4.08Å; L662-V676 HydrophobicContact CD2-CG2 3.8Å; L662-Y705 HydrophobicContact CD1-CD1 4.3Å; L662-L709 HydrophobicContact CD1-CD1 4.15Å; L662-L709 HydrophobicContact CD1-CD2 4.28Å; L662-L709 HydrophobicContact CD1-CG 4.15Å; L662-L709 HydrophobicContact CD2-CD2 3.81Å; L662-L709 HydrophobicContact CD2-CG 4.29Å; L662-L709 HydrophobicContact CG-CD2 4.4Å; L662-G730 PolarHBondContact N-O 2.88Å; L662-V731 HydrophobicContact CB-CG1 4.48Å; L662-V731 HydrophobicContact CB-CG2 4.3Å; L662-V731 HydrophobicContact CD1-CG2 4.19Å; L662-V731 HydrophobicContact CG-CG2 4.49Å; L662-D732 PolarHBondContact O-N 2.67Å; L662-D732 VanDerWaalsContact O-O 3.11Å; L662-M744 HydrophobicContact CD1-CE 3.71Å
663	D	91.1	Very high	80.4	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	105.8	172.8	-178.3	7	0	0	0	109.8	Q665 V674 A675 Y677 D732 V762 R1092	D663-Q665 PolarHBondContact OD1-NE2 2.93Å; D663-V674 WeakPolarHBondContact O-CA 3.46Å; D663-A675 HydrophobicContact CB-CB 4.39Å; D663-A675 PolarHBondContact N-O 3.25Å; D663-A675 PolarHBondContact O-N 3.24Å; D663-Y677 HydrophobicContact CB-CE2 3.92Å; D663-D732 CarbonylContact C-O 3.55Å; D663-D732 WeakPolarHBondContact CA-O 3.45Å; D663-V762 HydrophobicContact CB-CG1 4.46Å; D663-V762 WeakPolarHBondContact OD2-CG1 3.3Å; D663-R1092 WeakPolarHBondContact OD2-CG 3.26Å; D663-R1092 IonicContact OD2-NE 3.99Å
664	G	86.4	Confident	80.7	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	115	-178.1	0	0	0	0	0	113	D732 G733 A734	G664-D732 PolarHBondContact N-O 2.99Å; G664-G733 CarbonylContact O-C 3.59Å; G664-G733 WeakPolarHBondContact O-CA 3.32Å; G664-A734 PolarHBondContact O-N 3.49Å
665	Q	78.6	Confident	81.1	Confident	30 Å²	30	29 Å²	29	14%	0.14	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	111.5	-173.5	-64.6	-60.9	-70.8	0	0	111.7	D663 T673	D663-Q665 PolarHBondContact OD1-NE2 2.93Å; Q665-T673 PolarHBondContact N-O 3.49Å; Q665-T673 PolarHBondContact O-N 3.09Å; Q665-T673 PolarHBondContact O-OG1 2.82Å
666	S	67.9	Low	81.4	Confident	36 Å²	36	29 Å²	29	25%	0.252	17%	0.165	S	C	.	.			trans	-76	152.5	165	9.9	0	0	0	0	111.6	N735	S666-N735 WeakPolarHBondContact CB-ND2 3.36Å; S666-N735 WeakPolarHBondContact CB-OD1 3.34Å; S666-N735 VanDerWaalsContact OG-CG 3.31Å; S666-N735 PolarHBondContact OG-OD1 2.95Å
667	D	63.5	Low	82	Confident	43 Å²	43	26.4 Å²	26.4	23%	0.23	15%	0.148	C	C	.	.			trans	-152.8	120.2	166.7	-172.9	-42.9	0	0	0	107.6	L669 L670 R1099	D667-L669 PolarHBondContact O-N 2.8Å; D667-L669 WeakPolarHBondContact OD1-CB 3.44Å; D667-L669 PolarHBondContact OD1-N 3.03Å; D667-L670 HydrophobicContact CB-CB 4.2Å; D667-L670 PolarHBondContact O-N 2.77Å; D667-L670 VanDerWaalsContact O-N 3.15Å; D667-L670 VanDerWaalsContact O-O 3.05Å; D667-R1099 IonicContact OD2-CZ 2.69Å; D667-R1099 IonicContact OD2-NE 2.69Å; D667-R1099 IonicContact OD2-NH1 2.74Å; D667-R1099 PolarHBondContact OD2-NH1 3.38Å
668	D	56.1	Low	82.3	Confident	119 Å²	119	26.3 Å²	26.3	64%	0.636	15%	0.147	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63	-10.7	-175	-74.8	-9.2	0	0	0	113.7	A824	D668-A824 WeakPolarHBondContact OD2-CA 3.35Å
669	L	55.4	Low	82.4	Confident	154 Å²	154	26.2 Å²	26.2	81%	0.806	15%	0.147	S	C	*	.	T	Hydrogen-bonded Turn	trans	-107.7	-6.8	-178.8	-56.4	178.4	0	0	0	113.9	D667	D667-L669 PolarHBondContact O-N 2.8Å; D667-L669 WeakPolarHBondContact OD1-CB 3.44Å; D667-L669 PolarHBondContact OD1-N 3.03Å
670	L	61.4	Low	82.3	Confident	71 Å²	71	26.6 Å²	26.6	37%	0.372	15%	0.148	S	C	.	.	S	Bend	trans	-132.2	179.3	-176.9	-64.3	173.8	0	0	0	110.6	D667	D667-L670 HydrophobicContact CB-CB 4.2Å; D667-L670 PolarHBondContact O-N 2.77Å; D667-L670 VanDerWaalsContact O-N 3.15Å; D667-L670 VanDerWaalsContact O-O 3.05Å
671	A	67.7	Low	82	Confident	36 Å²	36	26.6 Å²	26.6	30%	0.298	15%	0.148	S	C	.	.			trans	-73.1	153.5	166.1	0	0	0	0	0	110.3	T673 E696	A671-T673 PolarHBondContact O-N 2.72Å; A671-E696 HydrophobicContact CB-CG 3.72Å; A671-E696 VanDerWaalsContact CB-OE1 3.23Å; A671-E696 WeakPolarHBondContact CB-OE1 3.34Å
672	D	83.3	Confident	81.3	Confident	33 Å²	33	28.8 Å²	28.8	18%	0.176	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.8	139.8	169.4	-90.8	2.3	0	0	0	109.9	L697 N735	D672-L697 HydrophobicContact CB-CB 3.92Å; D672-L697 HydrophobicContact CB-CD1 4.28Å; D672-L697 PolarHBondContact O-N 3.34Å; D672-N735 PolarHBondContact OD1-ND2 2.93Å; D672-N735 PolarHBondContact OD2-ND2 2.74Å
673	T	88.8	Confident	79.9	Confident	8 Å²	8	33.3 Å²	33.3	5%	0.049	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	149.8	179.6	45.6	0	0	0	0	111.2	Q665 A671 L694 Q695 R1099 L1108	Q665-T673 PolarHBondContact N-O 3.49Å; Q665-T673 PolarHBondContact O-N 3.09Å; Q665-T673 PolarHBondContact O-OG1 2.82Å; A671-T673 PolarHBondContact O-N 2.72Å; T673-L694 HydrophobicContact CG2-CG 4.43Å; T673-Q695 CarbonylContact C-O 3.59Å; T673-Q695 VanDerWaalsContact CA-O 3.25Å; T673-Q695 WeakPolarHBondContact CA-O 3.46Å; T673-R1099 PolarHBondContact OG1-NH2 2.88Å; T673-L1108 HydrophobicContact CG2-CD1 4.39Å
674	V	91.6	Very high	78.4	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	124.7	168.7	61.4	0	0	0	0	109.7	L662 D663 Q695 L697 Y705 A708	L662-V674 HydrophobicContact CB-CG2 3.93Å; L662-V674 HydrophobicContact CD2-CG2 3.92Å; L662-V674 HydrophobicContact CG-CG2 4.43Å; D663-V674 WeakPolarHBondContact O-CA 3.46Å; V674-Q695 HydrophobicContact CG1-CB 3.91Å; V674-Q695 PolarHBondContact N-O 2.73Å; V674-Q695 PolarHBondContact O-N 3.41Å; V674-L697 HydrophobicContact CB-CD1 4.13Å; V674-L697 HydrophobicContact CB-CG 4.46Å; V674-L697 HydrophobicContact CG1-CD1 4.29Å; V674-L697 HydrophobicContact CG1-CD2 3.97Å; V674-L697 HydrophobicContact CG1-CG 4.13Å; V674-Y705 HydrophobicContact CB-CD1 4.28Å; V674-Y705 HydrophobicContact CB-CE1 3.95Å; V674-Y705 HydrophobicContact CG1-CD1 4.39Å; V674-Y705 HydrophobicContact CG2-CD1 4.09Å; V674-Y705 HydrophobicContact CG2-CE1 3.85Å; V674-A708 HydrophobicContact CG1-CB 3.72Å
675	A	92.6	Very high	77.4	Confident	4 Å²	4	38.5 Å²	38.5	3%	0.033	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	120.7	168.6	0	0	0	0	0	108.3	D663 Y677 F691 L694	D663-A675 HydrophobicContact CB-CB 4.39Å; D663-A675 PolarHBondContact N-O 3.25Å; D663-A675 PolarHBondContact O-N 3.24Å; A675-Y677 HydrophobicContact CB-CD2 4.4Å; A675-Y677 HydrophobicContact CB-CE2 3.55Å; A675-F691 HydrophobicContact CB-CD2 4.45Å; A675-F691 HydrophobicContact CB-CE2 4.11Å; A675-L694 HydrophobicContact CB-CD1 4.09Å
676	V	93.8	Very high	77.3	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	126.3	176.6	-172.5	0	0	0	0	107.9	V660 L662 L692 S693 Q695 L709 A712	V660-V676 HydrophobicContact CG1-CG1 4.05Å; L662-V676 HydrophobicContact CD2-CB 4.25Å; L662-V676 HydrophobicContact CD2-CG1 4.08Å; L662-V676 HydrophobicContact CD2-CG2 3.8Å; V676-L692 HydrophobicContact CB-CB 4.28Å; V676-L692 HydrophobicContact CG1-CB 4.2Å; V676-L692 HydrophobicContact CG1-CD2 3.9Å; V676-L692 WeakPolarHBondContact O-CA 3.34Å; V676-L692 VanDerWaalsContact O-CB 3.25Å; V676-L692 WeakPolarHBondContact O-CB 3.48Å; V676-L692 PolarHBondContact O-N 3Å; V676-S693 PolarHBondContact N-O 3.3Å; V676-S693 PolarHBondContact O-N 2.85Å; V676-Q695 HydrophobicContact CG2-CG 4.21Å; V676-L709 HydrophobicContact CG1-CD2 4.49Å; V676-A712 HydrophobicContact CB-CB 4.33Å; V676-A712 HydrophobicContact CG1-CB 4.35Å; V676-A712 HydrophobicContact CG2-CB 3.98Å
677	Y	94.2	Very high	78.1	Confident	3 Å²	3	42.5 Å²	42.5	1%	0.012	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	156.2	172.9	-50.1	-106.6	0	0	0	109.6	I661 D663 A675 E690 F691 C1088	I661-Y677 HydrophobicContact CG2-CD2 4.07Å; I661-Y677 PolarHBondContact N-O 3.46Å; I661-Y677 PolarHBondContact O-N 3.14Å; D663-Y677 HydrophobicContact CB-CE2 3.92Å; A675-Y677 HydrophobicContact CB-CD2 4.4Å; A675-Y677 HydrophobicContact CB-CE2 3.55Å; Y677-E690 CarbonylContact C-O 3.58Å; Y677-E690 VanDerWaalsContact CA-O 3.27Å; Y677-E690 WeakPolarHBondContact CA-O 3.46Å; Y677-E690 WeakPolarHBondContact CB-O 3.24Å; Y677-F691 HydrophobicContact CD1-CB 3.8Å; Y677-F691 HydrophobicContact CD1-CD2 4.23Å; Y677-F691 HydrophobicContact CE1-CB 3.93Å; Y677-F691 AromaticContact CE1-CD2 3.93Å; Y677-F691 HydrophobicContact CE1-CD2 3.93Å; Y677-F691 HydrophobicContact CE1-CG 4.42Å; Y677-C1088 HydrophobicContact CE2-CB 4.05Å
678	V	92.9	Very high	79.3	Confident	2 Å²	2	42 Å²	42	1%	0.012	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	136	176.2	-69.9	0	0	0	0	110.3	L648 I652 S659 T689 E690 L692 F713	L648-V678 HydrophobicContact CD1-CG2 4.17Å; L648-V678 HydrophobicContact CD2-CG2 4.4Å; I652-V678 HydrophobicContact CD1-CG2 4.09Å; S659-V678 WeakPolarHBondContact O-CA 3.45Å; V678-T689 CarbonylContact O-C 3.57Å; V678-T689 WeakPolarHBondContact O-CA 3.42Å; V678-E690 PolarHBondContact N-O 3.28Å; V678-E690 PolarHBondContact O-N 3.23Å; V678-L692 HydrophobicContact CG1-CB 4.4Å; V678-L692 HydrophobicContact CG1-CD1 3.87Å; V678-L692 HydrophobicContact CG1-CD2 3.95Å; V678-L692 HydrophobicContact CG1-CG 4.31Å; V678-L692 HydrophobicContact CG2-CD1 3.89Å; V678-F713 HydrophobicContact CG1-CE1 4.47Å; V678-F713 HydrophobicContact CG1-CZ 3.9Å
679	Q	92.6	Very high	81.1	Confident	8 Å²	8	38 Å²	38	4%	0.037	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	134.1	171.6	-177.3	175.7	-20.2	0	0	109.3	L658 S659 I661 P687 A688 T689 K1079 V1080 L1081	L658-Q679 CarbonylContact C-O 3.45Å; L658-Q679 WeakPolarHBondContact CA-O 3.33Å; S659-Q679 PolarHBondContact N-O 3.34Å; S659-Q679 PolarHBondContact O-N 2.91Å; I661-Q679 HydrophobicContact CD1-CB 4.41Å; Q679-P687 HydrophobicContact CG-CB 4.39Å; Q679-A688 CarbonylContact C-O 3.58Å; Q679-A688 VanDerWaalsContact CA-O 3.29Å; Q679-A688 WeakPolarHBondContact CA-O 3.43Å; Q679-T689 HydrophobicContact CB-CG2 4.42Å; Q679-T689 WeakPolarHBondContact CG-OG1 3.37Å; Q679-K1079 PolarHBondContact NE2-O 3.12Å; Q679-V1080 PolarHBondContact NE2-O 2.78Å; Q679-L1081 PolarHBondContact NE2-O 2.92Å; Q679-L1081 PolarHBondContact OE1-O 3.44Å
680	Y	90.4	Very high	82.8	Confident	8 Å²	8	31.7 Å²	31.7	3%	0.031	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	172.7	-173.9	72.2	-88.6	0	0	0	110.8	L648 R651 P687 A688 E690	L648-Y680 HydrophobicContact CD1-CD1 4.46Å; L648-Y680 HydrophobicContact CD1-CE1 3.78Å; R651-Y680 HydrophobicContact CB-CE2 3.73Å; R651-Y680 WeakPolarHBondContact CD-OH 3.31Å; R651-Y680 PolarHBondContact NE-OH 2.97Å; Y680-P687 CarbonylContact O-C 3.47Å; Y680-P687 WeakPolarHBondContact O-CA 3.43Å; Y680-A688 HydrophobicContact CD1-CB 4.48Å; Y680-A688 HydrophobicContact CE1-CB 3.89Å; Y680-A688 HydrophobicContact CE2-CB 4.21Å; Y680-A688 PolarHBondContact N-O 3.36Å; Y680-A688 PolarHBondContact O-N 2.78Å; Y680-E690 HydrophobicContact CE1-CG 4.35Å; Y680-E690 WeakPolarHBondContact CE1-OE1 3.39Å; Y680-E690 PolarHBondContact OH-OE1 3.4Å
681	T	86.8	Confident	84.4	Confident	2 Å²	2	28.3 Å²	28.3	1%	0.012	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	128.2	177.4	-172	0	0	0	0	111.3	S655 P656 G685 V1080	S655-T681 WeakPolarHBondContact CA-O 3.34Å; S655-T681 WeakPolarHBondContact CB-O 3.47Å; S655-T681 PolarHBondContact OG-N 3.19Å; S655-T681 PolarHBondContact OG-O 2.86Å; S655-T681 VanDerWaalsContact OG-O 3.13Å; P656-T681 HydrophobicContact CG-CG2 4.02Å; T681-G685 PolarHBondContact OG1-O 3.12Å; T681-V1080 HydrophobicContact CG2-CG2 3.56Å
682	S	79.1	Confident	85.7	Confident	46 Å²	46	26.7 Å²	26.7	32%	0.322	17%	0.174	S	C	.	.			trans	-74.4	167.1	162	-64	0	0	0	0	110.3	D684 G685	S682-D684 VanDerWaalsContact C-N 3.32Å; S682-D684 PolarHBondContact O-N 3.34Å; S682-G685 PolarHBondContact O-N 2.88Å
683	S	62.9	Low	86.1	Confident	96 Å²	96	25.7 Å²	25.7	67%	0.671	17%	0.17	S	C	*	.	S	Bend	trans	-54.1	-31.3	-154.9	38.7	0	0	0	0	117.5
684	D	60	Low	86.3	Confident	81 Å²	81	25.5 Å²	25.5	43%	0.433	17%	0.168	S	C	.	.	S	Bend	trans	-136.9	-4.1	174	-70.9	-69.9	0	0	0	114.1	S682 K1065	S682-D684 VanDerWaalsContact C-N 3.32Å; S682-D684 PolarHBondContact O-N 3.34Å; D684-K1065 IonicContact OD1-NZ 2.78Å; D684-K1065 PolarHBondContact OD1-NZ 3.35Å; D684-K1065 IonicContact OD2-NZ 3.18Å; D684-K1065 PolarHBondContact OD2-NZ 3.38Å
685	G	66.6	Low	86.3	Confident	28 Å²	28	26.6 Å²	26.6	29%	0.289	17%	0.173	S	C	.	.	S	Bend	trans	-78.2	176.5	-172.7	0	0	0	0	0	115.4	T681 S682 K1079	T681-G685 PolarHBondContact OG1-O 3.12Å; S682-G685 PolarHBondContact O-N 2.88Å; G685-K1079 WeakPolarHBondContact O-CE 3.44Å; G685-K1079 PolarHBondContact O-NZ 3.36Å
686	P	75.3	Confident	86.2	Confident	111 Å²	111	31 Å²	31	72%	0.721	19%	0.193	S	C	*	.			trans	-62.4	159.3	167.2	29.9	-35.4	0	0	0	111
687	P	85.4	Confident	85.8	Confident	40 Å²	40	31.2 Å²	31.2	26%	0.26	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	140.9	172.1	30.3	-35.6	0	0	0	110.8	Q679 Y680 K1079	Q679-P687 HydrophobicContact CG-CB 4.39Å; Y680-P687 CarbonylContact O-C 3.47Å; Y680-P687 WeakPolarHBondContact O-CA 3.43Å; P687-K1079 WeakPolarHBondContact CB-O 3.44Å; P687-K1079 VanDerWaalsContact CG-O 3.25Å; P687-K1079 WeakPolarHBondContact CG-O 3.43Å
688	A	89.2	Confident	84.9	Confident	32 Å²	32	34.6 Å²	34.6	26%	0.264	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	136.2	172.8	0	0	0	0	0	109.2	Q679 Y680	Q679-A688 CarbonylContact C-O 3.58Å; Q679-A688 VanDerWaalsContact CA-O 3.29Å; Q679-A688 WeakPolarHBondContact CA-O 3.43Å; Y680-A688 HydrophobicContact CD1-CB 4.48Å; Y680-A688 HydrophobicContact CE1-CB 3.89Å; Y680-A688 HydrophobicContact CE2-CB 4.21Å; Y680-A688 PolarHBondContact N-O 3.36Å; Y680-A688 PolarHBondContact O-N 2.78Å
689	T	92.3	Very high	84	Confident	35 Å²	35	40.8 Å²	40.8	22%	0.215	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	120.1	171.2	-56	0	0	0	0	108.2	I661 V678 Q679 C1087	I661-T689 HydrophobicContact CD1-CG2 3.85Å; V678-T689 CarbonylContact O-C 3.57Å; V678-T689 WeakPolarHBondContact O-CA 3.42Å; Q679-T689 HydrophobicContact CB-CG2 4.42Å; Q679-T689 WeakPolarHBondContact CG-OG1 3.37Å; T689-C1087 HydrophobicContact CG2-CB 3.79Å; T689-C1087 PolarHBondContact O-SG 2.77Å
690	E	92.8	Very high	83.3	Confident	21 Å²	21	43.7 Å²	43.7	10%	0.098	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	149.9	-176.4	-75.9	-174.7	-118.5	0	0	111.3	L648 R651 Y677 V678 Y680	L648-E690 HydrophobicContact CD1-CB 4.02Å; L648-E690 HydrophobicContact CD1-CG 4.46Å; L648-E690 HydrophobicContact CD2-CB 4.18Å; R651-E690 IonicContact CZ-OE1 3.17Å; R651-E690 IonicContact CZ-OE2 2.66Å; R651-E690 IonicContact NE-OE1 2.71Å; R651-E690 PolarHBondContact NE-OE1 2.63Å; R651-E690 VanDerWaalsContact NE-OE1 3.15Å; R651-E690 VanDerWaalsContact NH2-CD 3.27Å; R651-E690 IonicContact NH2-OE1 3.26Å; R651-E690 PolarHBondContact NH2-OE1 2.88Å; R651-E690 IonicContact NH2-OE2 2.74Å; R651-E690 PolarHBondContact NH2-OE2 3.33Å; Y677-E690 CarbonylContact C-O 3.58Å; Y677-E690 VanDerWaalsContact CA-O 3.27Å; Y677-E690 WeakPolarHBondContact CA-O 3.46Å; Y677-E690 WeakPolarHBondContact CB-O 3.24Å; V678-E690 PolarHBondContact N-O 3.28Å; V678-E690 PolarHBondContact O-N 3.23Å; Y680-E690 HydrophobicContact CE1-CG 4.35Å; Y680-E690 WeakPolarHBondContact CE1-OE1 3.39Å; Y680-E690 PolarHBondContact OH-OE1 3.4Å
691	F	95.1	Very high	83.1	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	132.4	174.6	169.5	-97.2	0	0	0	110.9	A675 Y677 S693 L694 L1115 V1119 N1120	A675-F691 HydrophobicContact CB-CD2 4.45Å; A675-F691 HydrophobicContact CB-CE2 4.11Å; Y677-F691 HydrophobicContact CD1-CB 3.8Å; Y677-F691 HydrophobicContact CD1-CD2 4.23Å; Y677-F691 HydrophobicContact CE1-CB 3.93Å; Y677-F691 AromaticContact CE1-CD2 3.93Å; Y677-F691 HydrophobicContact CE1-CD2 3.93Å; Y677-F691 HydrophobicContact CE1-CG 4.42Å; F691-S693 VanDerWaalsContact CE2-C 3.47Å; F691-S693 WeakPolarHBondContact CE2-O 3.37Å; F691-L694 HydrophobicContact CE2-CB 4.41Å; F691-L694 HydrophobicContact CZ-CB 4.03Å; F691-L694 VanDerWaalsContact CZ-N 3.3Å; F691-L1115 HydrophobicContact CD1-CB 4.11Å; F691-L1115 HydrophobicContact CE1-CB 3.49Å; F691-L1115 VanDerWaalsContact CE1-CB 3.49Å; F691-L1115 HydrophobicContact CE2-CB 4.22Å; F691-L1115 HydrophobicContact CE2-CD1 3.95Å; F691-L1115 HydrophobicContact CZ-CB 3.53Å; F691-L1115 HydrophobicContact CZ-CD1 3.7Å; F691-L1115 HydrophobicContact CZ-CG 4.29Å; F691-V1119 HydrophobicContact CB-CB 4.02Å; F691-V1119 HydrophobicContact CB-CG1 3.82Å; F691-N1120 WeakPolarHBondContact CB-OD1 3.25Å; F691-N1120 PolarHBondContact N-OD1 3.24Å; F691-N1120 PolarHBondContact O-ND2 3.46Å
692	L	93.1	Very high	83.2	Confident	2 Å²	2	45.6 Å²	45.6	1%	0.01	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	-55.3	-176.7	-160.6	75.3	0	0	0	111.4	L648 I652 V676 V678 A712 F713 L716	L648-L692 HydrophobicContact CD2-CD1 4.06Å; I652-L692 HydrophobicContact CD1-CD1 4.2Å; V676-L692 HydrophobicContact CB-CB 4.28Å; V676-L692 HydrophobicContact CG1-CB 4.2Å; V676-L692 HydrophobicContact CG1-CD2 3.9Å; V676-L692 WeakPolarHBondContact O-CA 3.34Å; V676-L692 VanDerWaalsContact O-CB 3.25Å; V676-L692 WeakPolarHBondContact O-CB 3.48Å; V676-L692 PolarHBondContact O-N 3Å; V678-L692 HydrophobicContact CG1-CB 4.4Å; V678-L692 HydrophobicContact CG1-CD1 3.87Å; V678-L692 HydrophobicContact CG1-CD2 3.95Å; V678-L692 HydrophobicContact CG1-CG 4.31Å; V678-L692 HydrophobicContact CG2-CD1 3.89Å; L692-A712 HydrophobicContact CD2-CB 4.24Å; L692-F713 HydrophobicContact CD2-CD2 4.17Å; L692-F713 HydrophobicContact CD2-CE1 4.34Å; L692-F713 HydrophobicContact CD2-CE2 3.92Å; L692-F713 HydrophobicContact CD2-CG 4.49Å; L692-F713 HydrophobicContact CD2-CZ 4Å; L692-L716 HydrophobicContact CD1-CD1 3.36Å; L692-L716 HydrophobicContact CD2-CD1 4.26Å; L692-L716 HydrophobicContact CG-CD1 3.78Å
693	S	92.9	Very high	83.6	Confident	13 Å²	13	49 Å²	49	9%	0.091	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.9	161.5	176.1	63.6	0	0	0	0	112.2	V676 F691 Q695 A712	V676-S693 PolarHBondContact N-O 3.3Å; V676-S693 PolarHBondContact O-N 2.85Å; F691-S693 VanDerWaalsContact CE2-C 3.47Å; F691-S693 WeakPolarHBondContact CE2-O 3.37Å; S693-Q695 PolarHBondContact OG-NE2 3.37Å; S693-A712 VanDerWaalsContact OG-CB 3.27Å; S693-A712 WeakPolarHBondContact OG-CB 3.34Å
694	L	93.1	Very high	84.9	Confident	3 Å²	3	45 Å²	45	2%	0.016	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	127.2	166.2	-171	69.1	0	0	0	109.1	T673 A675 F691 L1095 L1108 L1111 S1112 L1115	T673-L694 HydrophobicContact CG2-CG 4.43Å; A675-L694 HydrophobicContact CB-CD1 4.09Å; F691-L694 HydrophobicContact CE2-CB 4.41Å; F691-L694 HydrophobicContact CZ-CB 4.03Å; F691-L694 VanDerWaalsContact CZ-N 3.3Å; L694-L1095 HydrophobicContact CD2-CD1 4.36Å; L694-L1108 HydrophobicContact CB-CD1 4.4Å; L694-L1108 HydrophobicContact CD2-CD1 4.02Å; L694-L1108 HydrophobicContact CG-CD1 3.99Å; L694-L1111 HydrophobicContact CD2-CB 4.06Å; L694-S1112 PolarHBondContact N-OG 3.34Å; L694-L1115 HydrophobicContact CB-CD1 4.21Å; L694-L1115 HydrophobicContact CD1-CD1 4.43Å; L694-L1115 HydrophobicContact CD2-CD1 4.08Å; L694-L1115 HydrophobicContact CG-CD1 4.49Å
695	Q	92.1	Very high	86.3	Confident	23 Å²	23	41.2 Å²	41.2	11%	0.107	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	143.9	-178.7	-61.9	-66.9	-34.8	0	0	111	T673 V674 V676 S693 A708 A712	T673-Q695 CarbonylContact C-O 3.59Å; T673-Q695 VanDerWaalsContact CA-O 3.25Å; T673-Q695 WeakPolarHBondContact CA-O 3.46Å; V674-Q695 HydrophobicContact CG1-CB 3.91Å; V674-Q695 PolarHBondContact N-O 2.73Å; V674-Q695 PolarHBondContact O-N 3.41Å; V676-Q695 HydrophobicContact CG2-CG 4.21Å; S693-Q695 PolarHBondContact OG-NE2 3.37Å; Q695-A708 HydrophobicContact CB-CB 3.8Å; Q695-A708 HydrophobicContact CG-CB 4.23Å; Q695-A712 HydrophobicContact CG-CB 4.14Å
696	E	89.4	Confident	87.4	Confident	98 Å²	98	41.9 Å²	41.9	46%	0.458	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	129.6	176.5	-177.9	172.7	-162.6	0	0	110.9	A671 L1108	A671-E696 HydrophobicContact CB-CG 3.72Å; A671-E696 VanDerWaalsContact CB-OE1 3.23Å; A671-E696 WeakPolarHBondContact CB-OE1 3.34Å; E696-L1108 HydrophobicContact CB-CD1 4.31Å; E696-L1108 HydrophobicContact CB-CD2 3.79Å
697	L	86.1	Confident	88.1	Confident	4 Å²	4	40.2 Å²	40.2	2%	0.021	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	119.5	178.4	-62.1	172.5	0	0	0	109.2	D672 V674 F699 S704 Y705 A708	D672-L697 HydrophobicContact CB-CB 3.92Å; D672-L697 HydrophobicContact CB-CD1 4.28Å; D672-L697 PolarHBondContact O-N 3.34Å; V674-L697 HydrophobicContact CB-CD1 4.13Å; V674-L697 HydrophobicContact CB-CG 4.46Å; V674-L697 HydrophobicContact CG1-CD1 4.29Å; V674-L697 HydrophobicContact CG1-CD2 3.97Å; V674-L697 HydrophobicContact CG1-CG 4.13Å; L697-F699 VanDerWaalsContact C-N 3.26Å; L697-F699 PolarHBondContact O-N 2.91Å; L697-S704 WeakPolarHBondContact CD2-O 3.14Å; L697-Y705 HydrophobicContact CD1-CD1 4.28Å; L697-Y705 HydrophobicContact CD1-CD2 4.41Å; L697-Y705 HydrophobicContact CD1-CE1 3.72Å; L697-Y705 HydrophobicContact CD1-CE2 3.83Å; L697-Y705 VanDerWaalsContact CD1-CZ 3.45Å; L697-Y705 HydrophobicContact CD2-CD1 4.38Å; L697-Y705 HydrophobicContact CD2-CD2 4.5Å; L697-Y705 HydrophobicContact CD2-CG 4.33Å; L697-A708 HydrophobicContact CD2-CB 3.95Å
698	G	74.4	Confident	88.4	Confident	73 Å²	73	38.3 Å²	38.3	75%	0.753	22%	0.221	S	C	*	.	S	Bend	trans	-68.5	-25.3	176.6	0	0	0	0	0	113.8
699	F	75.4	Confident	88.4	Confident	132 Å²	132	37.2 Å²	37.2	58%	0.579	21%	0.211	S	C	*	.	S	Bend	trans	-165.7	159.4	175.4	49.8	-83	0	0	0	109.8	L697 S701 S704	L697-F699 VanDerWaalsContact C-N 3.26Å; L697-F699 PolarHBondContact O-N 2.91Å; F699-S701 VanDerWaalsContact C-N 3.34Å; F699-S701 WeakPolarHBondContact CE2-OG 3.45Å; F699-S701 PolarHBondContact O-N 2.9Å; F699-S704 WeakPolarHBondContact CD2-OG 3.27Å; F699-S704 WeakPolarHBondContact CE2-OG 3.47Å; F699-S704 WeakPolarHBondContact O-CB 3.45Å; F699-S704 PolarHBondContact O-OG 2.68Å
700	S	77.5	Confident	88.3	Confident	70 Å²	70	39.6 Å²	39.6	49%	0.49	22%	0.222	S	C	.	.	S	Bend	trans	-81.6	68.8	-175.6	51	0	0	0	0	113.1
701	S	86.3	Confident	88.2	Confident	28 Å²	28	44.3 Å²	44.3	20%	0.196	24%	0.239	C	C	.	.	S	Bend	trans	-122.6	156.6	176.4	83.5	0	0	0	0	114.1	F699 E703 S704 Y705	F699-S701 VanDerWaalsContact C-N 3.34Å; F699-S701 WeakPolarHBondContact CE2-OG 3.45Å; F699-S701 PolarHBondContact O-N 2.9Å; S701-E703 PolarHBondContact O-N 3.01Å; S701-E703 PolarHBondContact OG-N 3.47Å; S701-S704 WeakPolarHBondContact O-CB 3.44Å; S701-S704 PolarHBondContact O-N 2.77Å; S701-S704 PolarHBondContact OG-N 3.19Å; S701-S704 VanDerWaalsContact OG-N 3.16Å; S701-S704 PolarHBondContact OG-OG 2.76Å; S701-Y705 WeakPolarHBondContact O-CD2 3.3Å; S701-Y705 PolarHBondContact O-N 2.97Å; S701-Y705 VanDerWaalsContact O-N 3.16Å
702	T	87.3	Confident	87.9	Confident	21 Å²	21	44.4 Å²	44.4	13%	0.129	24%	0.24	C	C	.	.	H	α-helix	trans	-50.9	-40.9	173.7	-55.6	0	0	0	0	112.5	L706 L740 S743 M744 T747	T702-L706 HydrophobicContact CG2-CD1 4.14Å; T702-L706 VanDerWaalsContact O-CG 3.29Å; T702-L706 WeakPolarHBondContact O-CG 3.32Å; T702-L706 PolarHBondContact O-N 2.84Å; T702-L706 VanDerWaalsContact O-N 3.13Å; T702-L740 WeakPolarHBondContact OG1-CD1 3.23Å; T702-S743 VanDerWaalsContact OG1-CB 3.28Å; T702-S743 WeakPolarHBondContact OG1-CB 3.34Å; T702-S743 PolarHBondContact OG1-OG 3.43Å; T702-M744 HydrophobicContact CG2-CG 3.98Å; T702-T747 HydrophobicContact CG2-CG2 4.41Å
703	E	89	Confident	87.7	Confident	117 Å²	117	44.5 Å²	44.5	55%	0.547	24%	0.24	S	C	.	.	H	α-helix	trans	-68.4	-40.1	178.6	-162.1	-167.3	141.3	0	0	111.7	S701 Y705 L706 Q707	S701-E703 PolarHBondContact O-N 3.01Å; S701-E703 PolarHBondContact OG-N 3.47Å; E703-Y705 VanDerWaalsContact C-N 3.33Å; E703-Y705 PolarHBondContact O-N 3.19Å; E703-L706 WeakPolarHBondContact O-CB 3.44Å; E703-L706 PolarHBondContact O-N 3.08Å; E703-L706 VanDerWaalsContact O-N 3.13Å; E703-Q707 WeakPolarHBondContact O-CG 3.46Å; E703-Q707 PolarHBondContact O-N 3.41Å; E703-Q707 PolarHBondContact OE1-NE2 2.96Å
704	S	89.8	Confident	87.4	Confident	12 Å²	12	47.5 Å²	47.5	8%	0.084	26%	0.261	C	S	.	.	H	α-helix	trans	-62.2	-39.9	179	-47.3	0	0	0	0	112	L697 F699 S701 A708	L697-S704 WeakPolarHBondContact CD2-O 3.14Å; F699-S704 WeakPolarHBondContact CD2-OG 3.27Å; F699-S704 WeakPolarHBondContact CE2-OG 3.47Å; F699-S704 WeakPolarHBondContact O-CB 3.45Å; F699-S704 PolarHBondContact O-OG 2.68Å; S701-S704 WeakPolarHBondContact O-CB 3.44Å; S701-S704 PolarHBondContact O-N 2.77Å; S701-S704 PolarHBondContact OG-N 3.19Å; S701-S704 VanDerWaalsContact OG-N 3.16Å; S701-S704 PolarHBondContact OG-OG 2.76Å; S704-A708 WeakPolarHBondContact O-CB 3.37Å; S704-A708 PolarHBondContact O-N 3Å
705	Y	90.3	Very high	86.9	Confident	2 Å²	2	51.3 Å²	51.3	1%	0.008	29%	0.293	C	S	.	.	H	α-helix	trans	-69.3	-34.9	173.3	-78.9	-88.1	0	0	0	113	L662 V674 L697 S701 E703 A708 L709 I736 L740 M744	L662-Y705 HydrophobicContact CD1-CD1 4.3Å; V674-Y705 HydrophobicContact CB-CD1 4.28Å; V674-Y705 HydrophobicContact CB-CE1 3.95Å; V674-Y705 HydrophobicContact CG1-CD1 4.39Å; V674-Y705 HydrophobicContact CG2-CD1 4.09Å; V674-Y705 HydrophobicContact CG2-CE1 3.85Å; L697-Y705 HydrophobicContact CD1-CD1 4.28Å; L697-Y705 HydrophobicContact CD1-CD2 4.41Å; L697-Y705 HydrophobicContact CD1-CE1 3.72Å; L697-Y705 HydrophobicContact CD1-CE2 3.83Å; L697-Y705 VanDerWaalsContact CD1-CZ 3.45Å; L697-Y705 HydrophobicContact CD2-CD1 4.38Å; L697-Y705 HydrophobicContact CD2-CD2 4.5Å; L697-Y705 HydrophobicContact CD2-CG 4.33Å; S701-Y705 WeakPolarHBondContact O-CD2 3.3Å; S701-Y705 PolarHBondContact O-N 2.97Å; S701-Y705 VanDerWaalsContact O-N 3.16Å; E703-Y705 VanDerWaalsContact C-N 3.33Å; E703-Y705 PolarHBondContact O-N 3.19Å; Y705-A708 PolarHBondContact O-N 3.4Å; Y705-L709 PolarHBondContact O-N 3.35Å; Y705-I736 HydrophobicContact CE1-CD1 3.85Å; Y705-I736 WeakPolarHBondContact OH-CG1 3.39Å; Y705-L740 HydrophobicContact CE2-CD2 4.03Å; Y705-M744 HydrophobicContact CD1-CE 3.84Å; Y705-M744 HydrophobicContact CD1-SD 4.39Å; Y705-M744 HydrophobicContact CD2-CE 4.36Å; Y705-M744 HydrophobicContact CD2-SD 3.95Å; Y705-M744 HydrophobicContact CG-CE 3.67Å; Y705-M744 HydrophobicContact CG-SD 3.88Å
706	L	88.9	Confident	86.3	Confident	43 Å²	43	51.7 Å²	51.7	23%	0.225	30%	0.296	C	S	.	.	H	α-helix	trans	-66.2	-46.6	173.5	-72.7	165.5	0	0	0	111.6	T702 E703 A708 L709 D710 T747 I748	T702-L706 HydrophobicContact CG2-CD1 4.14Å; T702-L706 VanDerWaalsContact O-CG 3.29Å; T702-L706 WeakPolarHBondContact O-CG 3.32Å; T702-L706 PolarHBondContact O-N 2.84Å; T702-L706 VanDerWaalsContact O-N 3.13Å; E703-L706 WeakPolarHBondContact O-CB 3.44Å; E703-L706 PolarHBondContact O-N 3.08Å; E703-L706 VanDerWaalsContact O-N 3.13Å; L706-A708 VanDerWaalsContact C-N 3.26Å; L706-A708 PolarHBondContact O-N 3.27Å; L706-L709 WeakPolarHBondContact O-CB 3.45Å; L706-L709 PolarHBondContact O-N 2.93Å; L706-D710 PolarHBondContact O-N 3.35Å; L706-T747 HydrophobicContact CD1-CG2 3.64Å; L706-I748 HydrophobicContact CD2-CD1 4.3Å; L706-I748 HydrophobicContact CD2-CG1 3.54Å
707	Q	90.1	Very high	85.7	Confident	75 Å²	75	49.8 Å²	49.8	35%	0.35	30%	0.302	S	S	.	.	H	α-helix	trans	-61.2	-35.6	174.3	-67.9	-173.3	23.5	0	0	111.9	E703 R711	E703-Q707 WeakPolarHBondContact O-CG 3.46Å; E703-Q707 PolarHBondContact O-N 3.41Å; E703-Q707 PolarHBondContact OE1-NE2 2.96Å; Q707-R711 WeakPolarHBondContact O-CB 3.27Å; Q707-R711 WeakPolarHBondContact O-CD 3.47Å; Q707-R711 WeakPolarHBondContact O-CG 3.37Å; Q707-R711 PolarHBondContact O-N 3.02Å
708	A	91	Very high	85.3	Confident	1 Å²	1	50.7 Å²	50.7	1%	0.008	31%	0.307	C	S	.	.	H	α-helix	trans	-66.2	-43.1	174.5	0	0	0	0	0	112.3	V674 Q695 L697 S704 Y705 L706 R711 A712	V674-A708 HydrophobicContact CG1-CB 3.72Å; Q695-A708 HydrophobicContact CB-CB 3.8Å; Q695-A708 HydrophobicContact CG-CB 4.23Å; L697-A708 HydrophobicContact CD2-CB 3.95Å; S704-A708 WeakPolarHBondContact O-CB 3.37Å; S704-A708 PolarHBondContact O-N 3Å; Y705-A708 PolarHBondContact O-N 3.4Å; L706-A708 VanDerWaalsContact C-N 3.26Å; L706-A708 PolarHBondContact O-N 3.27Å; A708-R711 PolarHBondContact O-N 3.45Å; A708-A712 WeakPolarHBondContact O-CB 3.28Å; A708-A712 PolarHBondContact O-N 2.76Å
709	L	90.4	Very high	85.4	Confident	8 Å²	8	55.1 Å²	55.1	4%	0.042	30%	0.301	C	S	.	.	H	α-helix	trans	-56.9	-52.8	171.1	-82.7	170.7	0	0	0	111.4	V660 L662 V676 Y705 L706 R711 A712 F713 L720 I748	V660-L709 HydrophobicContact CG1-CD2 3.69Å; L662-L709 HydrophobicContact CD1-CD1 4.15Å; L662-L709 HydrophobicContact CD1-CD2 4.28Å; L662-L709 HydrophobicContact CD1-CG 4.15Å; L662-L709 HydrophobicContact CD2-CD2 3.81Å; L662-L709 HydrophobicContact CD2-CG 4.29Å; L662-L709 HydrophobicContact CG-CD2 4.4Å; V676-L709 HydrophobicContact CG1-CD2 4.49Å; Y705-L709 PolarHBondContact O-N 3.35Å; L706-L709 WeakPolarHBondContact O-CB 3.45Å; L706-L709 PolarHBondContact O-N 2.93Å; L709-R711 VanDerWaalsContact C-N 3.33Å; L709-R711 PolarHBondContact O-N 2.97Å; L709-A712 PolarHBondContact O-N 3.13Å; L709-F713 HydrophobicContact CD2-CE2 4.34Å; L709-F713 WeakPolarHBondContact O-CD2 3.29Å; L709-F713 PolarHBondContact O-N 3.01Å; L709-L720 HydrophobicContact CB-CD1 3.94Å; L709-I748 HydrophobicContact CD1-CD1 4.06Å
710	D	88.8	Confident	85.1	Confident	85 Å²	85	50.1 Å²	50.1	46%	0.455	28%	0.281	S	S	.	.	H	α-helix	trans	-62	-39.4	-177.6	-74.6	-32.7	0	0	0	111.9	L706 S714	L706-D710 PolarHBondContact O-N 3.35Å; D710-S714 WeakPolarHBondContact O-CB 3.46Å; D710-S714 PolarHBondContact O-N 2.93Å; D710-S714 PolarHBondContact O-OG 3.09Å
711	R	90.4	Very high	84.5	Confident	121 Å²	121	53.8 Å²	53.8	46%	0.457	29%	0.29	S	S	.	.	H	α-helix	trans	-62.7	-47.4	173.2	-71	166.2	-158.9	-178.1	7.6	111.9	Q707 A708 L709 F713 S714 A715	Q707-R711 WeakPolarHBondContact O-CB 3.27Å; Q707-R711 WeakPolarHBondContact O-CD 3.47Å; Q707-R711 WeakPolarHBondContact O-CG 3.37Å; Q707-R711 PolarHBondContact O-N 3.02Å; A708-R711 PolarHBondContact O-N 3.45Å; L709-R711 VanDerWaalsContact C-N 3.33Å; L709-R711 PolarHBondContact O-N 2.97Å; R711-F713 PolarHBondContact O-N 3.4Å; R711-S714 PolarHBondContact O-N 3.19Å; R711-A715 WeakPolarHBondContact O-CB 3.15Å; R711-A715 PolarHBondContact O-N 2.9Å
712	A	90.5	Very high	83.5	Confident	2 Å²	2	55.1 Å²	55.1	2%	0.017	30%	0.295	C	S	.	.	H	α-helix	trans	-61.1	-42.1	-178	0	0	0	0	0	112.6	V676 L692 S693 Q695 A708 L709	V676-A712 HydrophobicContact CB-CB 4.33Å; V676-A712 HydrophobicContact CG1-CB 4.35Å; V676-A712 HydrophobicContact CG2-CB 3.98Å; L692-A712 HydrophobicContact CD2-CB 4.24Å; S693-A712 VanDerWaalsContact OG-CB 3.27Å; S693-A712 WeakPolarHBondContact OG-CB 3.34Å; Q695-A712 HydrophobicContact CG-CB 4.14Å; A708-A712 WeakPolarHBondContact O-CB 3.28Å; A708-A712 PolarHBondContact O-N 2.76Å; L709-A712 PolarHBondContact O-N 3.13Å
713	F	87.8	Confident	82	Confident	3 Å²	3	62.6 Å²	62.6	1%	0.013	33%	0.328	C	S	.	.	H	α-helix	trans	-77.1	-41.7	177.2	-82.7	-87.5	0	0	0	112.4	L658 V660 V678 L692 L709 R711 A715 L716 G717 I718 L720	L658-F713 HydrophobicContact CD1-CZ 4.45Å; V660-F713 HydrophobicContact CG1-CE2 4.25Å; V660-F713 HydrophobicContact CG2-CE2 3.96Å; V660-F713 HydrophobicContact CG2-CZ 3.7Å; V678-F713 HydrophobicContact CG1-CE1 4.47Å; V678-F713 HydrophobicContact CG1-CZ 3.9Å; L692-F713 HydrophobicContact CD2-CD2 4.17Å; L692-F713 HydrophobicContact CD2-CE1 4.34Å; L692-F713 HydrophobicContact CD2-CE2 3.92Å; L692-F713 HydrophobicContact CD2-CG 4.49Å; L692-F713 HydrophobicContact CD2-CZ 4Å; L709-F713 HydrophobicContact CD2-CE2 4.34Å; L709-F713 WeakPolarHBondContact O-CD2 3.29Å; L709-F713 PolarHBondContact O-N 3.01Å; R711-F713 PolarHBondContact O-N 3.4Å; F713-A715 VanDerWaalsContact C-N 3.29Å; F713-A715 PolarHBondContact O-N 3.12Å; F713-L716 PolarHBondContact O-N 3.01Å; F713-G717 PolarHBondContact O-N 2.86Å; F713-I718 CarbonylContact C-O 3.54Å; F713-I718 WeakPolarHBondContact CB-O 3.32Å; F713-I718 HydrophobicContact CD1-CB 4.26Å; F713-I718 HydrophobicContact CD1-CG2 3.97Å; F713-I718 PolarHBondContact O-N 3.02Å; F713-L720 HydrophobicContact CB-CG 4.42Å; F713-L720 HydrophobicContact CD1-CG 4.43Å; F713-L720 HydrophobicContact CD2-CD1 3.81Å; F713-L720 HydrophobicContact CD2-CD2 4.06Å; F713-L720 HydrophobicContact CD2-CG 3.81Å; F713-L720 HydrophobicContact CE2-CD1 4.36Å; F713-L720 HydrophobicContact CE2-CD2 3.88Å; F713-L720 HydrophobicContact CE2-CG 4.18Å; F713-L720 HydrophobicContact CG-CD1 4.27Å; F713-L720 HydrophobicContact CG-CD2 4.47Å; F713-L720 HydrophobicContact CG-CG 3.96Å; F713-L720 HydrophobicContact CZ-CD2 4.15Å
714	S	86.9	Confident	80.9	Confident	76 Å²	76	59.9 Å²	59.9	53%	0.531	32%	0.315	S	S	.	.	H	α-helix	trans	-61.8	-34.6	178.7	-61.9	0	0	0	0	112.9	D710 R711 L716 G717	D710-S714 WeakPolarHBondContact O-CB 3.46Å; D710-S714 PolarHBondContact O-N 2.93Å; D710-S714 PolarHBondContact O-OG 3.09Å; R711-S714 PolarHBondContact O-N 3.19Å; S714-L716 PolarHBondContact O-N 2.92Å; S714-L716 VanDerWaalsContact O-N 3.13Å; S714-G717 PolarHBondContact O-N 3.18Å
715	A	83.1	Confident	80.2	Confident	84 Å²	84	59.8 Å²	59.8	69%	0.694	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-20.7	175	0	0	0	0	0	113.7	R711 F713	R711-A715 WeakPolarHBondContact O-CB 3.15Å; R711-A715 PolarHBondContact O-N 2.9Å; F713-A715 VanDerWaalsContact C-N 3.29Å; F713-A715 PolarHBondContact O-N 3.12Å
716	L	78.3	Confident	80.1	Confident	30 Å²	30	60 Å²	60	16%	0.157	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.8	1.6	179.1	-59.6	178.5	0	0	0	113.2	R645 V649 L692 F713 S714 I718	R645-L716 HydrophobicContact CB-CD2 4.27Å; V649-L716 HydrophobicContact CG2-CB 3.76Å; V649-L716 HydrophobicContact CG2-CD1 3.97Å; V649-L716 HydrophobicContact CG2-CD2 3.88Å; V649-L716 HydrophobicContact CG2-CG 4.08Å; L692-L716 HydrophobicContact CD1-CD1 3.36Å; L692-L716 HydrophobicContact CD2-CD1 4.26Å; L692-L716 HydrophobicContact CG-CD1 3.78Å; F713-L716 PolarHBondContact O-N 3.01Å; S714-L716 PolarHBondContact O-N 2.92Å; S714-L716 VanDerWaalsContact O-N 3.13Å; L716-I718 VanDerWaalsContact C-N 3.33Å; L716-I718 HydrophobicContact CB-CD1 4.32Å; L716-I718 HydrophobicContact CB-CG1 4.38Å
717	G	77.7	Confident	80.1	Confident	58 Å²	58	58 Å²	58	60%	0.598	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.5	37.5	-174	0	0	0	0	0	112.7	F713 S714	F713-G717 PolarHBondContact O-N 2.86Å; S714-G717 PolarHBondContact O-N 3.18Å
718	I	77.6	Confident	80.2	Confident	23 Å²	23	54.4 Å²	54.4	12%	0.118	29%	0.288	C	S	.	.			trans	-125.1	135.7	174.4	-57.2	173.3	0	0	0	107.1	V649 I652 F713 L716	V649-I718 HydrophobicContact CG1-CD1 4.41Å; V649-I718 HydrophobicContact CG2-CD1 4.33Å; I652-I718 HydrophobicContact CG2-CD1 4.26Å; F713-I718 CarbonylContact C-O 3.54Å; F713-I718 WeakPolarHBondContact CB-O 3.32Å; F713-I718 HydrophobicContact CD1-CB 4.26Å; F713-I718 HydrophobicContact CD1-CG2 3.97Å; F713-I718 PolarHBondContact O-N 3.02Å; L716-I718 VanDerWaalsContact C-N 3.33Å; L716-I718 HydrophobicContact CB-CD1 4.32Å; L716-I718 HydrophobicContact CB-CG1 4.38Å
719	R	75.4	Confident	80.2	Confident	166 Å²	166	54.6 Å²	54.6	63%	0.626	29%	0.289	S	S	*	.			trans	-99.6	145.4	166.2	-54.4	177.9	-67.1	177.9	2.4	109.2	Q721 D722	R719-Q721 PolarHBondContact O-N 3.08Å; R719-D722 WeakPolarHBondContact CA-OD2 3.38Å; R719-D722 HydrophobicContact CB-CB 4.49Å; R719-D722 VanDerWaalsContact CB-OD2 3.25Å; R719-D722 WeakPolarHBondContact CB-OD2 3.34Å; R719-D722 WeakPolarHBondContact CG-OD2 3.49Å; R719-D722 IonicContact CZ-OD1 2.72Å; R719-D722 PolarHBondContact N-OD2 2.94Å; R719-D722 IonicContact NE-OD1 2.81Å; R719-D722 PolarHBondContact NE-OD1 2.81Å; R719-D722 IonicContact NE-OD2 3.88Å; R719-D722 PolarHBondContact NE-OD2 3.23Å; R719-D722 IonicContact NH2-OD1 2.74Å; R719-D722 PolarHBondContact NH2-OD1 3.29Å; R719-D722 WeakPolarHBondContact O-CB 3.41Å; R719-D722 PolarHBondContact O-N 2.92Å
720	L	69.5	Low	80.3	Confident	28 Å²	28	54.2 Å²	54.2	15%	0.147	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-9.5	172.1	-84.1	149.7	0	0	0	114.1	V660 L709 F713	V660-L720 HydrophobicContact CG2-CD2 4.37Å; L709-L720 HydrophobicContact CB-CD1 3.94Å; F713-L720 HydrophobicContact CB-CG 4.42Å; F713-L720 HydrophobicContact CD1-CG 4.43Å; F713-L720 HydrophobicContact CD2-CD1 3.81Å; F713-L720 HydrophobicContact CD2-CD2 4.06Å; F713-L720 HydrophobicContact CD2-CG 3.81Å; F713-L720 HydrophobicContact CE2-CD1 4.36Å; F713-L720 HydrophobicContact CE2-CD2 3.88Å; F713-L720 HydrophobicContact CE2-CG 4.18Å; F713-L720 HydrophobicContact CG-CD1 4.27Å; F713-L720 HydrophobicContact CG-CD2 4.47Å; F713-L720 HydrophobicContact CG-CG 3.96Å; F713-L720 HydrophobicContact CZ-CD2 4.15Å
721	Q	65.9	Low	80.4	Confident	147 Å²	147	50.2 Å²	50.2	69%	0.687	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.5	4.1	178.4	-57.1	176.6	19.8	0	0	113.5	R719 T751	R719-Q721 PolarHBondContact O-N 3.08Å; Q721-T751 HydrophobicContact CG-CG2 3.84Å
722	D	65.2	Low	80.2	Confident	56 Å²	56	44.4 Å²	44.4	30%	0.299	24%	0.244	S	C	.	.	S	Bend	trans	-73.8	-179	176.9	-76.2	-34.3	0	0	0	112.3	R719 K724	R719-D722 WeakPolarHBondContact CA-OD2 3.38Å; R719-D722 HydrophobicContact CB-CB 4.49Å; R719-D722 VanDerWaalsContact CB-OD2 3.25Å; R719-D722 WeakPolarHBondContact CB-OD2 3.34Å; R719-D722 WeakPolarHBondContact CG-OD2 3.49Å; R719-D722 IonicContact CZ-OD1 2.72Å; R719-D722 PolarHBondContact N-OD2 2.94Å; R719-D722 IonicContact NE-OD1 2.81Å; R719-D722 PolarHBondContact NE-OD1 2.81Å; R719-D722 IonicContact NE-OD2 3.88Å; R719-D722 PolarHBondContact NE-OD2 3.23Å; R719-D722 IonicContact NH2-OD1 2.74Å; R719-D722 PolarHBondContact NH2-OD1 3.29Å; R719-D722 WeakPolarHBondContact O-CB 3.41Å; R719-D722 PolarHBondContact O-N 2.92Å; D722-K724 PolarHBondContact O-N 3.14Å
723	E	54.7	Low	79.6	Confident	177 Å²	177	44.3 Å²	44.3	83%	0.827	24%	0.243	S	C	*	.	S	Bend	trans	-55.8	-2.7	-160.2	-54.5	-171.2	127.8	0	0	118.4
724	K	66.5	Low	78.7	Confident	61 Å²	61	45.1 Å²	45.1	27%	0.265	25%	0.25	S	C	.	.	S	Bend	trans	-118.7	130.1	-176.3	-62.3	-167.4	174.7	-156.8	0	111.4	I652 R653 S655 D722 T726	I652-K724 PolarHBondContact O-NZ 3.17Å; R653-K724 PolarHBondContact O-NZ 3.28Å; S655-K724 WeakPolarHBondContact O-CD 3.35Å; S655-K724 WeakPolarHBondContact O-CE 3.12Å; S655-K724 PolarHBondContact O-NZ 3.01Å; D722-K724 PolarHBondContact O-N 3.14Å; K724-T726 PolarHBondContact O-N 3.21Å
725	P	75.1	Confident	78	Confident	9 Å²	9	42.9 Å²	42.9	6%	0.058	23%	0.232	C	C	.	.			trans	-69.4	124.4	179.5	31.4	-36.5	0	0	0	110.4	C657 L658 V727 I1019 T1021	C657-P725 HydrophobicContact CB-CG 4.18Å; L658-P725 PolarHBondContact N-O 2.83Å; P725-V727 HydrophobicContact CB-CG1 3.93Å; P725-V727 HydrophobicContact CG-CG1 4.08Å; P725-V727 PolarHBondContact O-N 3.22Å; P725-I1019 HydrophobicContact CB-CG2 3.44Å; P725-I1019 VanDerWaalsContact CB-CG2 3.44Å; P725-I1019 HydrophobicContact CG-CG2 3.67Å; P725-T1021 WeakPolarHBondContact CD-OG1 3.27Å; P725-T1021 WeakPolarHBondContact CG-OG1 3.45Å
726	T	87.4	Confident	77.9	Confident	6 Å²	6	39 Å²	39	4%	0.037	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	119.8	152.3	-56.5	0	0	0	0	107.1	L658 V660 K724 L752 W754 L755	L658-T726 HydrophobicContact CD1-CG2 4.04Å; L658-T726 WeakPolarHBondContact CD1-OG1 3.24Å; L658-T726 CarbonylContact O-C 3.06Å; L658-T726 VanDerWaalsContact O-CA 3.27Å; L658-T726 WeakPolarHBondContact O-CA 3.38Å; V660-T726 HydrophobicContact CG2-CG2 3.93Å; K724-T726 PolarHBondContact O-N 3.21Å; T726-L752 HydrophobicContact CG2-CD1 4.41Å; T726-W754 PolarHBondContact O-NE1 3.02Å; T726-L755 HydrophobicContact CG2-CD1 3.9Å
727	V	89.4	Confident	78.1	Confident	2 Å²	2	40.6 Å²	40.6	1%	0.012	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	-33	-173.1	-65.5	0	0	0	0	113.2	C657 L658 P725 L756 I1019 V1077 V1080 L1081	C657-V727 HydrophobicContact CB-CG1 3.9Å; C657-V727 HydrophobicContact CB-CG2 4.01Å; L658-V727 WeakPolarHBondContact O-CG2 3.35Å; L658-V727 PolarHBondContact O-N 2.86Å; P725-V727 HydrophobicContact CB-CG1 3.93Å; P725-V727 HydrophobicContact CG-CG1 4.08Å; P725-V727 PolarHBondContact O-N 3.22Å; V727-L756 WeakPolarHBondContact O-CB 3.33Å; V727-L756 PolarHBondContact O-N 3.21Å; V727-I1019 HydrophobicContact CG1-CD1 3.94Å; V727-V1077 HydrophobicContact CB-CG1 4.13Å; V727-V1077 HydrophobicContact CG1-CG1 4.4Å; V727-V1077 HydrophobicContact CG2-CG1 4.09Å; V727-V1080 HydrophobicContact CG2-CG1 4.07Å; V727-L1081 HydrophobicContact CG2-CD2 4.35Å
728	G	91.8	Very high	78.3	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	150.7	178.6	0	0	0	0	0	113.7	S659 V660 L756	S659-G728 CarbonylContact C-O 3.6Å; S659-G728 WeakPolarHBondContact CA-O 3.38Å; S659-G728 VanDerWaalsContact CB-O 3.26Å; S659-G728 WeakPolarHBondContact CB-O 3.45Å; S659-G728 VanDerWaalsContact OG-CA 3.23Å; S659-G728 WeakPolarHBondContact OG-CA 3.41Å; S659-G728 PolarHBondContact OG-N 3.41Å; S659-G728 VanDerWaalsContact OG-N 3.14Å; V660-G728 PolarHBondContact N-O 3.01Å; G728-L756 CarbonylContact C-O 3.52Å; G728-L756 WeakPolarHBondContact CA-O 3.45Å
729	L	92.9	Very high	78.7	Confident	4 Å²	4	41.8 Å²	41.8	2%	0.021	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	125	173.6	175	64.7	0	0	0	110.4	V660 V731 F745 I748 L755 L756 C757 L758	V660-L729 HydrophobicContact CB-CD1 4.4Å; V660-L729 WeakPolarHBondContact O-CA 3.45Å; L729-V731 HydrophobicContact CD1-CG2 3.71Å; L729-V731 HydrophobicContact CD2-CG2 4.08Å; L729-V731 HydrophobicContact CG-CG2 3.79Å; L729-F745 HydrophobicContact CD2-CD1 3.8Å; L729-F745 HydrophobicContact CD2-CE1 4.03Å; L729-F745 HydrophobicContact CG-CE1 4.26Å; L729-I748 HydrophobicContact CD2-CD1 3.51Å; L729-L755 HydrophobicContact CB-CD1 4.07Å; L729-L755 HydrophobicContact CB-CD2 3.9Å; L729-L755 HydrophobicContact CB-CG 4.07Å; L729-L755 HydrophobicContact CD2-CD2 3.94Å; L729-L756 PolarHBondContact N-O 3.01Å; L729-C757 WeakPolarHBondContact O-CA 3.43Å; L729-L758 PolarHBondContact O-N 2.7Å; L729-L758 VanDerWaalsContact O-N 3.08Å
730	G	91.8	Very high	79.2	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	133.8	167.8	0	0	0	0	0	110.2	V660 I661 L662	V660-G730 PolarHBondContact O-N 2.87Å; I661-G730 WeakPolarHBondContact CA-O 3.42Å; L662-G730 PolarHBondContact N-O 2.88Å
731	V	89.6	Confident	80.1	Confident	1 Å²	1	33.6 Å²	33.6	1%	0.006	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	114.7	-179.1	-179.4	0	0	0	0	110.2	L662 L729 I736 R741 M744 F745	L662-V731 HydrophobicContact CB-CG1 4.48Å; L662-V731 HydrophobicContact CB-CG2 4.3Å; L662-V731 HydrophobicContact CD1-CG2 4.19Å; L662-V731 HydrophobicContact CG-CG2 4.49Å; L729-V731 HydrophobicContact CD1-CG2 3.71Å; L729-V731 HydrophobicContact CD2-CG2 4.08Å; L729-V731 HydrophobicContact CG-CG2 3.79Å; V731-I736 HydrophobicContact CG1-CD1 3.52Å; V731-I736 HydrophobicContact CG1-CG2 4.05Å; V731-R741 PolarHBondContact O-NE 3.17Å; V731-M744 HydrophobicContact CG1-CE 3.68Å; V731-M744 HydrophobicContact CG1-SD 4.14Å; V731-M744 HydrophobicContact CG2-CE 4.1Å; V731-F745 HydrophobicContact CB-CE1 3.97Å; V731-F745 HydrophobicContact CB-CZ 4.48Å; V731-F745 HydrophobicContact CG2-CE1 3.79Å
732	D	86.6	Confident	81.1	Confident	0 Å²	0	28.9 Å²	28.9	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	166.8	178.8	-165.8	39	0	0	0	112	L662 D663 G664 I736 R741 F760 V762 H763 R974	L662-D732 PolarHBondContact O-N 2.67Å; L662-D732 VanDerWaalsContact O-O 3.11Å; D663-D732 CarbonylContact C-O 3.55Å; D663-D732 WeakPolarHBondContact CA-O 3.45Å; G664-D732 PolarHBondContact N-O 2.99Å; D732-I736 WeakPolarHBondContact O-CD1 3.3Å; D732-R741 IonicContact OD1-NH2 2.73Å; D732-F760 HydrophobicContact CB-CD1 4.48Å; D732-F760 WeakPolarHBondContact CB-O 3.44Å; D732-V762 HydrophobicContact CB-CB 4.26Å; D732-V762 HydrophobicContact CB-CG2 4.09Å; D732-V762 WeakPolarHBondContact OD2-CA 3.07Å; D732-V762 WeakPolarHBondContact OD2-CB 3.43Å; D732-V762 PolarHBondContact OD2-N 2.88Å; D732-H763 IonicContact OD1-CE1 3.06Å; D732-H763 PolarHBondContact OD1-CE1 2.99Å; D732-H763 IonicContact OD1-ND1 2.68Å; D732-H763 PolarHBondContact OD1-ND1 3.42Å; D732-H763 IonicContact OD2-CE1 2.98Å; D732-H763 IonicContact OD2-CG 3.17Å; D732-H763 PolarHBondContact OD2-N 2.87Å; D732-H763 IonicContact OD2-ND1 3.28Å; D732-H763 PolarHBondContact OD2-ND1 2.96Å; D732-R974 IonicContact OD1-CZ 3.18Å; D732-R974 IonicContact OD1-NH1 2.79Å; D732-R974 PolarHBondContact OD1-NH1 2.76Å
733	G	78.4	Confident	82.3	Confident	0 Å²	0	28.6 Å²	28.6	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	144.8	156	178.9	0	0	0	0	0	112.8	G664 N735 I736	G664-G733 CarbonylContact O-C 3.59Å; G664-G733 WeakPolarHBondContact O-CA 3.32Å; G733-N735 PolarHBondContact O-N 2.96Å; G733-N735 VanDerWaalsContact O-N 3.1Å; G733-I736 PolarHBondContact O-N 3.43Å
734	A	68.4	Low	84	Confident	19 Å²	19	20.3 Å²	20.3	16%	0.157	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-15.9	-170.4	0	0	0	0	0	114.4	G664 R826	G664-A734 PolarHBondContact O-N 3.49Å; A734-R826 VanDerWaalsContact O-CZ 3.25Å; A734-R826 PolarHBondContact O-NH1 2.89Å; A734-R826 PolarHBondContact O-NH2 3.31Å
735	N	72.7	Confident	85.1	Confident	30 Å²	30	17.7 Å²	17.7	16%	0.16	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101	0.9	174.7	-74.5	10.9	0	0	0	113.7	S666 D672 G733 T737 R826	S666-N735 WeakPolarHBondContact CB-ND2 3.36Å; S666-N735 WeakPolarHBondContact CB-OD1 3.34Å; S666-N735 VanDerWaalsContact OG-CG 3.31Å; S666-N735 PolarHBondContact OG-OD1 2.95Å; D672-N735 PolarHBondContact OD1-ND2 2.93Å; D672-N735 PolarHBondContact OD2-ND2 2.74Å; G733-N735 PolarHBondContact O-N 2.96Å; G733-N735 VanDerWaalsContact O-N 3.1Å; N735-T737 PolarHBondContact O-N 3.11Å; N735-R826 PolarHBondContact OD1-NH1 2.95Å
736	I	82	Confident	85.7	Confident	2 Å²	2	22.5 Å²	22.5	1%	0.01	14%	0.142	C	C	.	.			trans	-98.2	94.2	-174.1	-49.3	-168.2	0	0	0	110.4	Y705 V731 D732 G733 L740 R741	Y705-I736 HydrophobicContact CE1-CD1 3.85Å; Y705-I736 WeakPolarHBondContact OH-CG1 3.39Å; V731-I736 HydrophobicContact CG1-CD1 3.52Å; V731-I736 HydrophobicContact CG1-CG2 4.05Å; D732-I736 WeakPolarHBondContact O-CD1 3.3Å; G733-I736 PolarHBondContact O-N 3.43Å; I736-L740 HydrophobicContact CG2-CG 4.41Å; I736-R741 HydrophobicContact CG2-CB 4Å; I736-R741 PolarHBondContact O-NH2 2.95Å
737	T	82.2	Confident	85.9	Confident	64 Å²	64	24.1 Å²	24.1	39%	0.393	15%	0.152	S	C	.	.			trans	-67.2	155.2	172.2	65.3	0	0	0	0	111.7	N735 S739 L740 R741	N735-T737 PolarHBondContact O-N 3.11Å; T737-S739 PolarHBondContact O-N 2.94Å; T737-S739 PolarHBondContact OG1-OG 3.14Å; T737-S739 VanDerWaalsContact OG1-OG 3.07Å; T737-L740 PolarHBondContact O-N 2.81Å; T737-L740 WeakPolarHBondContact OG1-CB 3.44Å; T737-L740 PolarHBondContact OG1-N 2.98Å; T737-R741 WeakPolarHBondContact O-CB 3.47Å; T737-R741 PolarHBondContact O-N 3.38Å
738	A	82.1	Confident	85.9	Confident	15 Å²	15	24.8 Å²	24.8	12%	0.124	16%	0.156	C	C	.	.	H	α-helix	trans	-51.9	-36.5	173.1	0	0	0	0	0	113.8	A742 E768 Q973	A738-A742 VanDerWaalsContact O-CB 3.32Å; A738-A742 WeakPolarHBondContact O-CB 3.36Å; A738-A742 PolarHBondContact O-N 3.32Å; A738-E768 PolarHBondContact N-OE1 2.97Å; A738-Q973 HydrophobicContact CB-CB 4.46Å
739	S	84.2	Confident	85.7	Confident	91 Å²	91	26 Å²	26	64%	0.636	16%	0.16	S	C	*	.	H	α-helix	trans	-70.5	-39.1	176.7	53.7	0	0	0	0	113.2	T737 S743	T737-S739 PolarHBondContact O-N 2.94Å; T737-S739 PolarHBondContact OG1-OG 3.14Å; T737-S739 VanDerWaalsContact OG1-OG 3.07Å; S739-S743 WeakPolarHBondContact O-CB 3.33Å; S739-S743 PolarHBondContact O-N 3.44Å
740	L	86.9	Confident	85.5	Confident	17 Å²	17	33.7 Å²	33.7	9%	0.089	19%	0.193	C	C	.	.	H	α-helix	trans	-67	-45.5	173.5	178.4	56.5	0	0	0	110.8	T702 Y705 I736 T737 A742 S743 M744	T702-L740 WeakPolarHBondContact OG1-CD1 3.23Å; Y705-L740 HydrophobicContact CE2-CD2 4.03Å; I736-L740 HydrophobicContact CG2-CG 4.41Å; T737-L740 PolarHBondContact O-N 2.81Å; T737-L740 WeakPolarHBondContact OG1-CB 3.44Å; T737-L740 PolarHBondContact OG1-N 2.98Å; L740-A742 PolarHBondContact O-N 3.16Å; L740-S743 WeakPolarHBondContact O-CB 3.37Å; L740-S743 PolarHBondContact O-N 2.91Å; L740-S743 VanDerWaalsContact O-N 3.16Å; L740-M744 HydrophobicContact CD1-CG 4.31Å; L740-M744 HydrophobicContact CD1-SD 4.28Å; L740-M744 HydrophobicContact CG-SD 4.15Å; L740-M744 WeakPolarHBondContact O-CG 3.39Å; L740-M744 PolarHBondContact O-N 3.02Å
741	R	88.8	Confident	85.2	Confident	5 Å²	5	37 Å²	37	2%	0.019	21%	0.214	C	C	.	.	H	α-helix	trans	-55.3	-49.8	175.1	-171.3	-177.9	-65.4	106.9	8.1	111.7	V731 D732 I736 T737 S743 M744 F745 E768	V731-R741 PolarHBondContact O-NE 3.17Å; D732-R741 IonicContact OD1-NH2 2.73Å; I736-R741 HydrophobicContact CG2-CB 4Å; I736-R741 PolarHBondContact O-NH2 2.95Å; T737-R741 WeakPolarHBondContact O-CB 3.47Å; T737-R741 PolarHBondContact O-N 3.38Å; R741-S743 PolarHBondContact O-N 2.88Å; R741-M744 PolarHBondContact O-N 2.74Å; R741-F745 HydrophobicContact CG-CD2 4.31Å; R741-F745 HydrophobicContact CG-CE1 4.11Å; R741-F745 HydrophobicContact CG-CE2 3.71Å; R741-F745 HydrophobicContact CG-CZ 3.6Å; R741-F745 VanDerWaalsContact O-CG 3.3Å; R741-F745 WeakPolarHBondContact O-CG 3.26Å; R741-F745 PolarHBondContact O-N 3.38Å; R741-E768 IonicContact CZ-OE1 2.77Å; R741-E768 IonicContact CZ-OE2 2.72Å; R741-E768 IonicContact NH1-OE1 2.97Å; R741-E768 PolarHBondContact NH1-OE1 3.43Å; R741-E768 IonicContact NH1-OE2 2.74Å; R741-E768 PolarHBondContact NH1-OE2 3.45Å; R741-E768 IonicContact NH2-OE1 3.78Å; R741-E768 IonicContact NH2-OE2 3.61Å; R741-E768 PolarHBondContact NH2-OE2 2.71Å
742	A	87	Confident	85.1	Confident	47 Å²	47	37.4 Å²	37.4	39%	0.388	22%	0.216	S	C	.	.	H	α-helix	trans	-62.7	-40.8	176.4	0	0	0	0	0	112.4	A738 L740 F745 M746	A738-A742 VanDerWaalsContact O-CB 3.32Å; A738-A742 WeakPolarHBondContact O-CB 3.36Å; A738-A742 PolarHBondContact O-N 3.32Å; L740-A742 PolarHBondContact O-N 3.16Å; A742-F745 PolarHBondContact O-N 2.9Å; A742-M746 WeakPolarHBondContact O-CB 3.43Å; A742-M746 VanDerWaalsContact O-CG 3.26Å; A742-M746 WeakPolarHBondContact O-CG 3.43Å; A742-M746 PolarHBondContact O-N 3.42Å
743	S	89.8	Confident	85.2	Confident	51 Å²	51	40.6 Å²	40.6	36%	0.357	24%	0.237	S	C	.	.	H	α-helix	trans	-61.8	-42.3	175.4	-174.7	0	0	0	0	112.3	T702 S739 L740 R741 T747	T702-S743 VanDerWaalsContact OG1-CB 3.28Å; T702-S743 WeakPolarHBondContact OG1-CB 3.34Å; T702-S743 PolarHBondContact OG1-OG 3.43Å; S739-S743 WeakPolarHBondContact O-CB 3.33Å; S739-S743 PolarHBondContact O-N 3.44Å; L740-S743 WeakPolarHBondContact O-CB 3.37Å; L740-S743 PolarHBondContact O-N 2.91Å; L740-S743 VanDerWaalsContact O-N 3.16Å; R741-S743 PolarHBondContact O-N 2.88Å; S743-T747 VanDerWaalsContact O-CB 3.32Å; S743-T747 WeakPolarHBondContact O-CB 3.47Å; S743-T747 PolarHBondContact O-N 3.06Å; S743-T747 PolarHBondContact O-OG1 3.5Å
744	M	89.4	Confident	85.6	Confident	2 Å²	2	42.6 Å²	42.6	1%	0.01	24%	0.244	C	C	.	.	H	α-helix	trans	-62.8	-50.9	174.7	-70.3	171.2	62.5	0	0	111.6	L662 T702 Y705 V731 L740 R741 M746 T747 I748	L662-M744 HydrophobicContact CD1-CE 3.71Å; T702-M744 HydrophobicContact CG2-CG 3.98Å; Y705-M744 HydrophobicContact CD1-CE 3.84Å; Y705-M744 HydrophobicContact CD1-SD 4.39Å; Y705-M744 HydrophobicContact CD2-CE 4.36Å; Y705-M744 HydrophobicContact CD2-SD 3.95Å; Y705-M744 HydrophobicContact CG-CE 3.67Å; Y705-M744 HydrophobicContact CG-SD 3.88Å; V731-M744 HydrophobicContact CG1-CE 3.68Å; V731-M744 HydrophobicContact CG1-SD 4.14Å; V731-M744 HydrophobicContact CG2-CE 4.1Å; L740-M744 HydrophobicContact CD1-CG 4.31Å; L740-M744 HydrophobicContact CD1-SD 4.28Å; L740-M744 HydrophobicContact CG-SD 4.15Å; L740-M744 WeakPolarHBondContact O-CG 3.39Å; L740-M744 PolarHBondContact O-N 3.02Å; R741-M744 PolarHBondContact O-N 2.74Å; M744-M746 VanDerWaalsContact C-N 3.34Å; M744-M746 PolarHBondContact O-N 3.08Å; M744-T747 PolarHBondContact O-N 3.3Å; M744-T747 VanDerWaalsContact O-N 3.14Å; M744-I748 WeakPolarHBondContact O-CG1 3.37Å; M744-I748 PolarHBondContact O-N 3.14Å
745	F	89.9	Confident	86.7	Confident	7 Å²	7	41.8 Å²	41.8	3%	0.031	24%	0.237	C	C	.	.	H	α-helix	trans	-57	-45.7	177.7	-67.3	-11.8	0	0	0	112	L729 V731 R741 A742 T747 R749 C757 D976	L729-F745 HydrophobicContact CD2-CD1 3.8Å; L729-F745 HydrophobicContact CD2-CE1 4.03Å; L729-F745 HydrophobicContact CG-CE1 4.26Å; V731-F745 HydrophobicContact CB-CE1 3.97Å; V731-F745 HydrophobicContact CB-CZ 4.48Å; V731-F745 HydrophobicContact CG2-CE1 3.79Å; R741-F745 HydrophobicContact CG-CD2 4.31Å; R741-F745 HydrophobicContact CG-CE1 4.11Å; R741-F745 HydrophobicContact CG-CE2 3.71Å; R741-F745 HydrophobicContact CG-CZ 3.6Å; R741-F745 VanDerWaalsContact O-CG 3.3Å; R741-F745 WeakPolarHBondContact O-CG 3.26Å; R741-F745 PolarHBondContact O-N 3.38Å; A742-F745 PolarHBondContact O-N 2.9Å; F745-T747 VanDerWaalsContact C-N 3.32Å; F745-T747 PolarHBondContact O-N 2.72Å; F745-R749 VanDerWaalsContact O-CB 3.29Å; F745-R749 WeakPolarHBondContact O-CB 3.5Å; F745-R749 WeakPolarHBondContact O-CD 3.44Å; F745-R749 VanDerWaalsContact O-CG 3.27Å; F745-R749 WeakPolarHBondContact O-CG 3.27Å; F745-R749 PolarHBondContact O-N 2.92Å; F745-R749 VanDerWaalsContact O-N 3.17Å; F745-C757 HydrophobicContact CB-CB 4.37Å; F745-C757 HydrophobicContact CD1-CB 3.79Å; F745-C757 HydrophobicContact CD2-CB 3.62Å; F745-C757 HydrophobicContact CE1-CB 3.84Å; F745-C757 HydrophobicContact CE2-CB 3.68Å; F745-C757 HydrophobicContact CG-CB 3.68Å; F745-C757 HydrophobicContact CZ-CB 3.79Å; F745-D976 HydrophobicContact CD2-CB 4.37Å
746	M	88.9	Confident	87.7	Confident	109 Å²	109	40.5 Å²	40.5	54%	0.537	23%	0.23	S	C	.	.	H	α-helix	trans	-70.2	-25.2	179.1	-69.2	-64.5	170.3	0	0	113.6	A742 M744	A742-M746 WeakPolarHBondContact O-CB 3.43Å; A742-M746 VanDerWaalsContact O-CG 3.26Å; A742-M746 WeakPolarHBondContact O-CG 3.43Å; A742-M746 PolarHBondContact O-N 3.42Å; M744-M746 VanDerWaalsContact C-N 3.34Å; M744-M746 PolarHBondContact O-N 3.08Å
747	T	90.9	Very high	88.1	Confident	40 Å²	40	40.4 Å²	40.4	25%	0.245	23%	0.23	C	C	.	.	H	α-helix	trans	-85.7	-45.7	179.7	-54.5	0	0	0	0	111.4	T702 L706 S743 M744 F745 R749 K750	T702-T747 HydrophobicContact CG2-CG2 4.41Å; L706-T747 HydrophobicContact CD1-CG2 3.64Å; S743-T747 VanDerWaalsContact O-CB 3.32Å; S743-T747 WeakPolarHBondContact O-CB 3.47Å; S743-T747 PolarHBondContact O-N 3.06Å; S743-T747 PolarHBondContact O-OG1 3.5Å; M744-T747 PolarHBondContact O-N 3.3Å; M744-T747 VanDerWaalsContact O-N 3.14Å; F745-T747 VanDerWaalsContact C-N 3.32Å; F745-T747 PolarHBondContact O-N 2.72Å; T747-R749 VanDerWaalsContact C-N 3.26Å; T747-R749 PolarHBondContact O-N 3.02Å; T747-K750 WeakPolarHBondContact O-CB 3.46Å; T747-K750 PolarHBondContact O-N 3.49Å; T747-K750 VanDerWaalsContact O-N 3.09Å
748	I	88.8	Confident	88.5	Confident	16 Å²	16	37.4 Å²	37.4	8%	0.082	21%	0.211	C	C	.	.	H	α-helix	trans	-62.1	-36	176.6	-60.9	164.6	0	0	0	110.6	L706 L709 L729 M744 K750 T751 L752 L755	L706-I748 HydrophobicContact CD2-CD1 4.3Å; L706-I748 HydrophobicContact CD2-CG1 3.54Å; L709-I748 HydrophobicContact CD1-CD1 4.06Å; L729-I748 HydrophobicContact CD2-CD1 3.51Å; M744-I748 WeakPolarHBondContact O-CG1 3.37Å; M744-I748 PolarHBondContact O-N 3.14Å; I748-K750 PolarHBondContact O-N 2.78Å; I748-T751 WeakPolarHBondContact O-CA 2.91Å; I748-T751 WeakPolarHBondContact O-CB 3.2Å; I748-T751 PolarHBondContact O-N 2.75Å; I748-L752 HydrophobicContact CG2-CD1 4.16Å; I748-L752 PolarHBondContact O-N 2.73Å; I748-L755 HydrophobicContact CB-CD2 4.23Å; I748-L755 HydrophobicContact CG2-CD2 3.4Å
749	R	87.8	Confident	88.6	Confident	26 Å²	26	36.8 Å²	36.8	10%	0.098	21%	0.206	C	C	.	.	H	α-helix	trans	-66.8	-14.6	175.9	-79.7	173.8	168.2	175.6	0.1	115.7	F745 T747 T751 L752 P753 L755 D976 S979	F745-R749 VanDerWaalsContact O-CB 3.29Å; F745-R749 WeakPolarHBondContact O-CB 3.5Å; F745-R749 WeakPolarHBondContact O-CD 3.44Å; F745-R749 VanDerWaalsContact O-CG 3.27Å; F745-R749 WeakPolarHBondContact O-CG 3.27Å; F745-R749 PolarHBondContact O-N 2.92Å; F745-R749 VanDerWaalsContact O-N 3.17Å; T747-R749 VanDerWaalsContact C-N 3.26Å; T747-R749 PolarHBondContact O-N 3.02Å; R749-T751 VanDerWaalsContact C-N 3.26Å; R749-L752 CarbonylContact O-C 3.6Å; R749-P753 WeakPolarHBondContact O-CA 3.36Å; R749-L755 HydrophobicContact CG-CB 4.2Å; R749-L755 PolarHBondContact NE-O 2.92Å; R749-L755 PolarHBondContact NH2-O 3.08Å; R749-L755 VanDerWaalsContact NH2-O 3.11Å; R749-D976 IonicContact CZ-OD1 2.74Å; R749-D976 IonicContact CZ-OD2 2.59Å; R749-D976 VanDerWaalsContact CZ-OD2 3.25Å; R749-D976 IonicContact NH1-OD1 3.81Å; R749-D976 PolarHBondContact NH1-OD1 3.39Å; R749-D976 IonicContact NH1-OD2 3.82Å; R749-D976 PolarHBondContact NH1-OD2 2.99Å; R749-D976 IonicContact NH2-OD1 2.7Å; R749-D976 IonicContact NH2-OD2 3.2Å; R749-D976 PolarHBondContact NH2-OD2 3.18Å; R749-S979 PolarHBondContact NH2-OG 3.02Å; R749-S979 VanDerWaalsContact NH2-OG 3.07Å
750	K	88.6	Confident	88.6	Confident	165 Å²	165	32.6 Å²	32.6	72%	0.717	18%	0.176	S	C	*	.	H	α-helix	trans	-69	-30.2	168.2	-63.8	170.9	-175.4	173.7	0	111.2	T747 I748	T747-K750 WeakPolarHBondContact O-CB 3.46Å; T747-K750 PolarHBondContact O-N 3.49Å; T747-K750 VanDerWaalsContact O-N 3.09Å; I748-K750 PolarHBondContact O-N 2.78Å
751	T	85.6	Confident	88.5	Confident	71 Å²	71	31.8 Å²	31.8	44%	0.436	17%	0.172	S	C	.	.	H	α-helix	trans	-90.2	-34.9	176.5	-49	0	0	0	0	112	Q721 I748 R749	Q721-T751 HydrophobicContact CG-CG2 3.84Å; I748-T751 WeakPolarHBondContact O-CA 2.91Å; I748-T751 WeakPolarHBondContact O-CB 3.2Å; I748-T751 PolarHBondContact O-N 2.75Å; R749-T751 VanDerWaalsContact C-N 3.26Å
752	L	87.7	Confident	87.9	Confident	9 Å²	9	31.5 Å²	31.5	5%	0.047	17%	0.171	C	C	.	.			trans	-128.3	79.3	-176.2	-61.8	173.2	0	0	0	111.2	T726 I748 R749 W754 L755	T726-L752 HydrophobicContact CG2-CD1 4.41Å; I748-L752 HydrophobicContact CG2-CD1 4.16Å; I748-L752 PolarHBondContact O-N 2.73Å; R749-L752 CarbonylContact O-C 3.6Å; L752-W754 HydrophobicContact CD2-CH2 4.19Å; L752-W754 HydrophobicContact CD2-CZ2 3.57Å; L752-W754 PolarHBondContact O-N 2.97Å; L752-W754 VanDerWaalsContact O-N 3.11Å; L752-L755 HydrophobicContact CB-CB 4.02Å; L752-L755 HydrophobicContact CB-CD2 4.47Å; L752-L755 HydrophobicContact CD1-CD2 4.39Å; L752-L755 VanDerWaalsContact O-CB 3.25Å; L752-L755 WeakPolarHBondContact O-CB 3.09Å; L752-L755 PolarHBondContact O-N 3.49Å
753	P	88.1	Confident	87.4	Confident	67 Å²	67	29.9 Å²	29.9	44%	0.435	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-15.7	-171.1	-25.4	36.6	0	0	0	116.1	R749 R978	R749-P753 WeakPolarHBondContact O-CA 3.36Å; P753-R978 VanDerWaalsContact O-CZ 3.29Å; P753-R978 PolarHBondContact O-NH1 2.93Å; P753-R978 PolarHBondContact O-NH2 3.26Å
754	W	88.7	Confident	87	Confident	42 Å²	42	32.1 Å²	32.1	16%	0.159	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-3.8	175.5	55.9	80.6	0	0	0	113.6	T726 L752 L756 H1015 A1018 I1019 P1020	T726-W754 PolarHBondContact O-NE1 3.02Å; L752-W754 HydrophobicContact CD2-CH2 4.19Å; L752-W754 HydrophobicContact CD2-CZ2 3.57Å; L752-W754 PolarHBondContact O-N 2.97Å; L752-W754 VanDerWaalsContact O-N 3.11Å; W754-L756 PolarHBondContact O-N 3.36Å; W754-H1015 PolarHBondContact O-CE1 2.83Å; W754-H1015 PolarHBondContact O-NE2 3.21Å; W754-A1018 HydrophobicContact CB-CB 4.35Å; W754-I1019 HydrophobicContact CB-CG1 3.93Å; W754-I1019 HydrophobicContact CG-CG1 3.93Å; W754-P1020 HydrophobicContact CE3-CG 4.15Å; W754-P1020 HydrophobicContact CH2-CG 3.67Å; W754-P1020 HydrophobicContact CZ2-CG 4.34Å; W754-P1020 HydrophobicContact CZ3-CG 3.55Å
755	L	91.1	Very high	86.8	Confident	2 Å²	2	32 Å²	32	1%	0.01	16%	0.156	C	C	.	.			trans	-64.3	122.8	-170.4	-174.4	65.3	0	0	0	113.6	T726 L729 I748 R749 L752	T726-L755 HydrophobicContact CG2-CD1 3.9Å; L729-L755 HydrophobicContact CB-CD1 4.07Å; L729-L755 HydrophobicContact CB-CD2 3.9Å; L729-L755 HydrophobicContact CB-CG 4.07Å; L729-L755 HydrophobicContact CD2-CD2 3.94Å; I748-L755 HydrophobicContact CB-CD2 4.23Å; I748-L755 HydrophobicContact CG2-CD2 3.4Å; R749-L755 HydrophobicContact CG-CB 4.2Å; R749-L755 PolarHBondContact NE-O 2.92Å; R749-L755 PolarHBondContact NH2-O 3.08Å; R749-L755 VanDerWaalsContact NH2-O 3.11Å; L752-L755 HydrophobicContact CB-CB 4.02Å; L752-L755 HydrophobicContact CB-CD2 4.47Å; L752-L755 HydrophobicContact CD1-CD2 4.39Å; L752-L755 VanDerWaalsContact O-CB 3.25Å; L752-L755 WeakPolarHBondContact O-CB 3.09Å; L752-L755 PolarHBondContact O-N 3.49Å
756	L	92.3	Very high	86.6	Confident	2 Å²	2	31.9 Å²	31.9	1%	0.01	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	123.3	171.3	-68.2	168.8	0	0	0	110.4	V727 G728 L729 W754 L758 S979 F982 H1015 L1081	V727-L756 WeakPolarHBondContact O-CB 3.33Å; V727-L756 PolarHBondContact O-N 3.21Å; G728-L756 CarbonylContact C-O 3.52Å; G728-L756 WeakPolarHBondContact CA-O 3.45Å; L729-L756 PolarHBondContact N-O 3.01Å; W754-L756 PolarHBondContact O-N 3.36Å; L756-L758 HydrophobicContact CB-CD1 3.75Å; L756-S979 VanDerWaalsContact CA-OG 3.3Å; L756-S979 WeakPolarHBondContact CA-OG 3.28Å; L756-S979 WeakPolarHBondContact CD2-OG 3.42Å; L756-F982 HydrophobicContact CD1-CD1 3.56Å; L756-F982 HydrophobicContact CD1-CD2 4.44Å; L756-F982 HydrophobicContact CD1-CE1 3.51Å; L756-F982 HydrophobicContact CD1-CE2 4.38Å; L756-F982 HydrophobicContact CD1-CG 4.05Å; L756-F982 HydrophobicContact CD1-CZ 3.94Å; L756-F982 HydrophobicContact CD2-CB 3.89Å; L756-F982 HydrophobicContact CD2-CD1 4.02Å; L756-F982 HydrophobicContact CD2-CG 3.91Å; L756-F982 HydrophobicContact CG-CD1 4.47Å; L756-H1015 VanDerWaalsContact CD2-CE1 3.44Å; L756-H1015 WeakPolarHBondContact CD2-CE1 3.29Å; L756-H1015 WeakPolarHBondContact CD2-NE2 3.45Å; L756-H1015 VanDerWaalsContact CG-NE2 3.27Å; L756-H1015 WeakPolarHBondContact CG-NE2 3.26Å; L756-L1081 HydrophobicContact CB-CD2 4.28Å; L756-L1081 HydrophobicContact CD1-CD1 3.86Å; L756-L1081 HydrophobicContact CD1-CD2 3.85Å
757	C	91.6	Very high	86.4	Confident	0 Å²	0	27.4 Å²	27.4	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	103.1	176.7	-59.8	0	0	0	0	107.8	L729 F745 D976 S979	L729-C757 WeakPolarHBondContact O-CA 3.43Å; F745-C757 HydrophobicContact CB-CB 4.37Å; F745-C757 HydrophobicContact CD1-CB 3.79Å; F745-C757 HydrophobicContact CD2-CB 3.62Å; F745-C757 HydrophobicContact CE1-CB 3.84Å; F745-C757 HydrophobicContact CE2-CB 3.68Å; F745-C757 HydrophobicContact CG-CB 3.68Å; F745-C757 HydrophobicContact CZ-CB 3.79Å; C757-D976 HydrophobicContact CB-CB 4.16Å; C757-S979 PolarHBondContact N-OG 2.78Å; C757-S979 VanDerWaalsContact O-CB 3.32Å; C757-S979 WeakPolarHBondContact O-CB 3.26Å
758	L	90.1	Very high	86.1	Confident	1 Å²	1	26 Å²	26	1%	0.005	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	144.8	-178.5	-77.7	79.4	0	0	0	110.1	L729 L756 F760 V983 L1081 P1082 T1083	L729-L758 PolarHBondContact O-N 2.7Å; L729-L758 VanDerWaalsContact O-N 3.08Å; L756-L758 HydrophobicContact CB-CD1 3.75Å; L758-F760 PolarHBondContact O-N 2.87Å; L758-V983 HydrophobicContact CD2-CG2 4.44Å; L758-L1081 HydrophobicContact CD1-CB 4.42Å; L758-L1081 HydrophobicContact CD1-CD1 4.4Å; L758-L1081 HydrophobicContact CD1-CD2 4.29Å; L758-L1081 HydrophobicContact CD2-CB 4.17Å; L758-P1082 HydrophobicContact CB-CG 4.48Å; L758-T1083 HydrophobicContact CD2-CG2 3.88Å
759	P	85.6	Confident	86	Confident	3 Å²	3	25.4 Å²	25.4	2%	0.019	12%	0.121	C	C	.	.			trans	-64.5	133.4	168.2	29.1	-33.6	0	0	0	108.7	F898 V908 I912 R974 F975	P759-F898 VanDerWaalsContact O-CE1 3.3Å; P759-F898 WeakPolarHBondContact O-CE1 3.15Å; P759-V908 HydrophobicContact CG-CG1 3.55Å; P759-I912 HydrophobicContact CB-CD1 3.52Å; P759-I912 HydrophobicContact CG-CD1 3.24Å; P759-R974 HydrophobicContact CB-CB 4.15Å; P759-F975 HydrophobicContact CG-CB 4.25Å; P759-F975 HydrophobicContact CG-CD1 3.73Å; P759-F975 HydrophobicContact CG-CD2 4.12Å; P759-F975 HydrophobicContact CG-CE1 3.96Å; P759-F975 HydrophobicContact CG-CE2 4.31Å; P759-F975 HydrophobicContact CG-CG 3.79Å; P759-F975 HydrophobicContact CG-CZ 4.23Å
760	F	83.1	Confident	86	Confident	2 Å²	2	24.3 Å²	24.3	1%	0.009	12%	0.117	C	C	.	.			trans	-136.4	132.8	-172	-159.8	-110.3	0	0	0	106.9	I661 D732 L758 V762 P1082 S1084 T1085	I661-F760 HydrophobicContact CB-CE1 4.31Å; I661-F760 HydrophobicContact CB-CZ 4.32Å; I661-F760 HydrophobicContact CD1-CE1 4.4Å; I661-F760 HydrophobicContact CD1-CE2 4.01Å; I661-F760 HydrophobicContact CD1-CZ 3.59Å; I661-F760 HydrophobicContact CG1-CE1 4.12Å; I661-F760 HydrophobicContact CG1-CE2 4.12Å; I661-F760 HydrophobicContact CG1-CZ 3.71Å; I661-F760 HydrophobicContact CG2-CD1 4.07Å; I661-F760 HydrophobicContact CG2-CE1 3.25Å; I661-F760 HydrophobicContact CG2-CZ 3.62Å; D732-F760 HydrophobicContact CB-CD1 4.48Å; D732-F760 WeakPolarHBondContact CB-O 3.44Å; L758-F760 PolarHBondContact O-N 2.87Å; F760-V762 HydrophobicContact CD1-CG2 3.42Å; F760-V762 VanDerWaalsContact CD1-CG2 3.42Å; F760-V762 HydrophobicContact CE1-CG2 3.3Å; F760-V762 HydrophobicContact CZ-CG2 4.45Å; F760-P1082 HydrophobicContact CD2-CB 3.99Å; F760-P1082 HydrophobicContact CE2-CB 3.81Å; F760-S1084 WeakPolarHBondContact CE2-O 3.19Å; F760-S1084 VanDerWaalsContact CZ-O 3.31Å; F760-S1084 WeakPolarHBondContact CZ-O 3.48Å; F760-T1085 HydrophobicContact CD1-CG2 3.72Å; F760-T1085 HydrophobicContact CD2-CG2 3.89Å; F760-T1085 HydrophobicContact CE1-CG2 3.49Å; F760-T1085 VanDerWaalsContact CE1-CG2 3.49Å; F760-T1085 HydrophobicContact CE2-CG2 3.7Å; F760-T1085 HydrophobicContact CG-CG2 3.9Å; F760-T1085 HydrophobicContact CZ-CG2 3.5Å; F760-T1085 VanDerWaalsContact CZ-CG2 3.5Å
761	M	85.4	Confident	85.8	Confident	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.095	C	C	.	.			trans	-127.7	95.7	-175.4	-67.4	-168.8	177.9	0	0	110.5	P765 L894 F898 L971 T1085	M761-P765 HydrophobicContact SD-CB 4.3Å; M761-P765 HydrophobicContact SD-CG 4.16Å; M761-L894 HydrophobicContact CE-CD2 3.62Å; M761-L894 HydrophobicContact CE-CG 4.24Å; M761-L894 HydrophobicContact SD-CB 4.45Å; M761-L894 HydrophobicContact SD-CD2 3.7Å; M761-L894 HydrophobicContact SD-CG 3.68Å; M761-F898 HydrophobicContact CB-CB 3.94Å; M761-F898 HydrophobicContact CB-CD2 4.05Å; M761-F898 HydrophobicContact CB-CG 3.99Å; M761-F898 HydrophobicContact CG-CD2 4.2Å; M761-F898 HydrophobicContact CG-CE2 4.5Å; M761-F898 HydrophobicContact CG-CG 4.48Å; M761-F898 HydrophobicContact SD-CD2 4.19Å; M761-F898 HydrophobicContact SD-CE2 4.31Å; M761-L971 HydrophobicContact CE-CD2 3.92Å; M761-T1085 VanDerWaalsContact C-CG2 3.44Å; M761-T1085 WeakPolarHBondContact O-CB 3.43Å; M761-T1085 WeakPolarHBondContact O-CG2 3.36Å; M761-T1085 PolarHBondContact O-OG1 3.4Å
762	V	76.3	Confident	85.7	Confident	0 Å²	0	17.8 Å²	17.8	0%	0	10%	0.095	C	C	.	.			trans	-96.4	-59.2	177.5	-178.4	0	0	0	0	107.9	D663 D732 F760 T1085 C1088 R1092	D663-V762 HydrophobicContact CB-CG1 4.46Å; D663-V762 WeakPolarHBondContact OD2-CG1 3.3Å; D732-V762 HydrophobicContact CB-CB 4.26Å; D732-V762 HydrophobicContact CB-CG2 4.09Å; D732-V762 WeakPolarHBondContact OD2-CA 3.07Å; D732-V762 WeakPolarHBondContact OD2-CB 3.43Å; D732-V762 PolarHBondContact OD2-N 2.88Å; F760-V762 HydrophobicContact CD1-CG2 3.42Å; F760-V762 VanDerWaalsContact CD1-CG2 3.42Å; F760-V762 HydrophobicContact CE1-CG2 3.3Å; F760-V762 HydrophobicContact CZ-CG2 4.45Å; V762-T1085 HydrophobicContact CG2-CG2 3.74Å; V762-C1088 HydrophobicContact CG1-CB 3.69Å; V762-C1088 HydrophobicContact CG2-CB 3.99Å; V762-R1092 PolarHBondContact O-NH2 3.36Å
763	H	75.4	Confident	85.6	Confident	12 Å²	12	17.5 Å²	17.5	6%	0.056	9%	0.093	C	C	.	.	S	Bend	trans	-82.3	174.9	-176.9	85.8	-67.2	0	0	0	112.3	D732 P765	D732-H763 IonicContact OD1-CE1 3.06Å; D732-H763 PolarHBondContact OD1-CE1 2.99Å; D732-H763 IonicContact OD1-ND1 2.68Å; D732-H763 PolarHBondContact OD1-ND1 3.42Å; D732-H763 IonicContact OD2-CE1 2.98Å; D732-H763 IonicContact OD2-CG 3.17Å; D732-H763 PolarHBondContact OD2-N 2.87Å; D732-H763 IonicContact OD2-ND1 3.28Å; D732-H763 PolarHBondContact OD2-ND1 2.96Å; H763-P765 WeakPolarHBondContact O-CD 3.45Å
764	R	81.3	Confident	85.2	Confident	98 Å²	98	16 Å²	16	37%	0.37	8%	0.084	S	C	.	.			trans	-67.5	102.8	173.4	-68.2	-171.7	-72.6	178.6	-11	110.9	H766 L767 G830 E831	R764-H766 PolarHBondContact O-N 3.42Å; R764-H766 VanDerWaalsContact O-N 3.13Å; R764-L767 HydrophobicContact CB-CD1 4.02Å; R764-L767 HydrophobicContact CB-CG 4.1Å; R764-L767 WeakPolarHBondContact O-CB 3.35Å; R764-L767 PolarHBondContact O-N 3.2Å; R764-G830 PolarHBondContact NH1-O 3.22Å; R764-G830 VanDerWaalsContact NH1-O 3.09Å; R764-E831 IonicContact CZ-OE1 3.67Å; R764-E831 IonicContact CZ-OE2 2.62Å; R764-E831 IonicContact NH1-OE1 2.69Å; R764-E831 PolarHBondContact NH1-OE1 2.85Å; R764-E831 IonicContact NH1-OE2 3.15Å; R764-E831 PolarHBondContact NH1-OE2 2.91Å; R764-E831 IonicContact NH2-OE1 3.17Å; R764-E831 PolarHBondContact NH2-OE1 3.45Å; R764-E831 IonicContact NH2-OE2 3.07Å
765	P	85.1	Confident	84.8	Confident	0 Å²	0	14.9 Å²	14.9	0%	0	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-14.6	-165.2	29.1	-32.3	0	0	0	113.2	M761 H763 L767 I769 L891 A895	M761-P765 HydrophobicContact SD-CB 4.3Å; M761-P765 HydrophobicContact SD-CG 4.16Å; H763-P765 WeakPolarHBondContact O-CD 3.45Å; P765-L767 PolarHBondContact O-N 2.83Å; P765-I769 WeakPolarHBondContact O-CD1 3.18Å; P765-I769 PolarHBondContact O-N 3.13Å; P765-L891 HydrophobicContact CG-CB 4.23Å; P765-L891 WeakPolarHBondContact CG-O 3.48Å; P765-A895 HydrophobicContact CG-CB 4.17Å
766	H	86.1	Confident	83.7	Confident	5 Å²	5	24.9 Å²	24.9	2%	0.023	13%	0.129	C	C	.	.	H	α-helix	trans	-64.7	-20.3	170.5	56	-116.9	0	0	0	113.3	R764 I769 L770 G830 I888 L891	R764-H766 PolarHBondContact O-N 3.42Å; R764-H766 VanDerWaalsContact O-N 3.13Å; H766-I769 PolarHBondContact O-N 3.02Å; H766-L770 WeakPolarHBondContact O-CB 3.49Å; H766-L770 VanDerWaalsContact O-CG 3.3Å; H766-L770 WeakPolarHBondContact O-CG 3.19Å; H766-L770 PolarHBondContact O-N 3.33Å; H766-G830 PolarHBondContact NE2-O 2.96Å; H766-I888 HydrophobicContact CB-CG1 4.18Å; H766-L891 HydrophobicContact CB-CB 4.33Å; H766-L891 HydrophobicContact CB-CD1 3.75Å
767	L	85.5	Confident	82.8	Confident	14 Å²	14	29.7 Å²	29.7	7%	0.073	15%	0.152	C	C	.	.	H	α-helix	trans	-69.9	-46.2	177.4	-63.4	177.3	0	0	0	111.9	R764 P765 I769 L770 D771 W827	R764-L767 HydrophobicContact CB-CD1 4.02Å; R764-L767 HydrophobicContact CB-CG 4.1Å; R764-L767 WeakPolarHBondContact O-CB 3.35Å; R764-L767 PolarHBondContact O-N 3.2Å; P765-L767 PolarHBondContact O-N 2.83Å; L767-I769 PolarHBondContact O-N 3.28Å; L767-L770 PolarHBondContact O-N 2.83Å; L767-D771 PolarHBondContact O-N 3.4Å; L767-W827 HydrophobicContact CD2-CB 4.03Å
768	E	84.8	Confident	82.4	Confident	10 Å²	10	30 Å²	30	5%	0.047	15%	0.153	C	C	.	.	H	α-helix	trans	-61	-34.1	173.2	-178.3	178.3	161.2	0	0	111.6	A738 R741 A772 R974	A738-E768 PolarHBondContact N-OE1 2.97Å; R741-E768 IonicContact CZ-OE1 2.77Å; R741-E768 IonicContact CZ-OE2 2.72Å; R741-E768 IonicContact NH1-OE1 2.97Å; R741-E768 PolarHBondContact NH1-OE1 3.43Å; R741-E768 IonicContact NH1-OE2 2.74Å; R741-E768 PolarHBondContact NH1-OE2 3.45Å; R741-E768 IonicContact NH2-OE1 3.78Å; R741-E768 IonicContact NH2-OE2 3.61Å; R741-E768 PolarHBondContact NH2-OE2 2.71Å; E768-A772 WeakPolarHBondContact O-CB 3.35Å; E768-A772 PolarHBondContact O-N 3.26Å; E768-R974 IonicContact OE2-CZ 3.2Å; E768-R974 IonicContact OE2-NE 3.3Å; E768-R974 IonicContact OE2-NH1 3.68Å; E768-R974 IonicContact OE2-NH2 2.69Å; E768-R974 PolarHBondContact OE2-NH2 2.93Å
769	I	87.2	Confident	82.2	Confident	4 Å²	4	33.6 Å²	33.6	2%	0.021	18%	0.177	C	C	.	.	H	α-helix	trans	-68.9	-47.9	176.2	-70.9	157.5	0	0	0	110.8	P765 H766 L767 D771 A772 I773 L891 T967 I970	P765-I769 WeakPolarHBondContact O-CD1 3.18Å; P765-I769 PolarHBondContact O-N 3.13Å; H766-I769 PolarHBondContact O-N 3.02Å; L767-I769 PolarHBondContact O-N 3.28Å; I769-D771 PolarHBondContact O-N 3.13Å; I769-A772 PolarHBondContact O-N 3.38Å; I769-I773 HydrophobicContact CG2-CD1 4.18Å; I769-I773 VanDerWaalsContact O-CG1 3.28Å; I769-I773 WeakPolarHBondContact O-CG1 3.32Å; I769-I773 WeakPolarHBondContact O-CG2 3.47Å; I769-I773 PolarHBondContact O-N 2.71Å; I769-L891 HydrophobicContact CD1-CD1 3.51Å; I769-L891 HydrophobicContact CD1-CD2 3.57Å; I769-L891 HydrophobicContact CD1-CG 4.2Å; I769-T967 HydrophobicContact CD1-CG2 3.93Å; I769-T967 WeakPolarHBondContact CG2-OG1 3.1Å; I769-I970 HydrophobicContact CB-CD1 4.45Å; I769-I970 HydrophobicContact CG1-CB 4.2Å; I769-I970 HydrophobicContact CG1-CD1 4.04Å; I769-I970 HydrophobicContact CG1-CG2 3.8Å
770	L	87.1	Confident	82.3	Confident	4 Å²	4	34.3 Å²	34.3	2%	0.021	18%	0.181	C	C	.	.	H	α-helix	trans	-58.4	-47.1	175.7	-74.5	167.5	0	0	0	111.7	H766 L767 A772 I773 S774 W827 I829	H766-L770 WeakPolarHBondContact O-CB 3.49Å; H766-L770 VanDerWaalsContact O-CG 3.3Å; H766-L770 WeakPolarHBondContact O-CG 3.19Å; H766-L770 PolarHBondContact O-N 3.33Å; L767-L770 PolarHBondContact O-N 2.83Å; L770-A772 VanDerWaalsContact C-N 3.32Å; L770-A772 PolarHBondContact O-N 2.89Å; L770-I773 PolarHBondContact O-N 3.33Å; L770-S774 VanDerWaalsContact O-CB 3.23Å; L770-S774 WeakPolarHBondContact O-CB 3.34Å; L770-S774 PolarHBondContact O-N 3.4Å; L770-W827 HydrophobicContact CB-CD2 3.93Å; L770-W827 HydrophobicContact CB-CE3 4.44Å; L770-W827 HydrophobicContact CB-CG 4.11Å; L770-W827 HydrophobicContact CB-CZ2 4.43Å; L770-W827 HydrophobicContact CD1-CB 3.97Å; L770-W827 HydrophobicContact CD1-CD2 4.32Å; L770-W827 HydrophobicContact CD1-CG 4.03Å; L770-I829 HydrophobicContact CD1-CB 4.29Å; L770-I829 HydrophobicContact CD1-CG2 3.94Å; L770-I829 HydrophobicContact CD2-CG2 3.74Å
771	D	83.6	Confident	82.6	Confident	47 Å²	47	34.2 Å²	34.2	25%	0.251	18%	0.181	S	C	.	.	H	α-helix	trans	-54.5	-48.6	173.6	-72.1	-31.1	0	0	0	111.2	L767 I769 I773 S774 R826 W827	L767-D771 PolarHBondContact O-N 3.4Å; I769-D771 PolarHBondContact O-N 3.13Å; D771-I773 PolarHBondContact O-N 3.4Å; D771-S774 PolarHBondContact O-OG 3.06Å; D771-R826 IonicContact OD1-CZ 2.78Å; D771-R826 IonicContact OD1-NE 2.7Å; D771-R826 PolarHBondContact OD1-NE 2.94Å; D771-R826 IonicContact OD1-NH2 2.77Å; D771-R826 IonicContact OD2-CZ 3.39Å; D771-R826 VanDerWaalsContact OD2-CZ 3.23Å; D771-R826 IonicContact OD2-NE 3.02Å; D771-R826 PolarHBondContact OD2-NE 2.9Å; D771-R826 IonicContact OD2-NH2 3.47Å; D771-R826 PolarHBondContact OD2-NH2 2.59Å; D771-W827 PolarHBondContact OD1-NE1 3.25Å
772	A	84.1	Confident	82.7	Confident	52 Å²	52	38.3 Å²	38.3	43%	0.43	20%	0.2	S	C	.	.	H	α-helix	trans	-74.4	-20.8	-173.9	0	0	0	0	0	115.5	E768 I769 L770 I970	E768-A772 WeakPolarHBondContact O-CB 3.35Å; E768-A772 PolarHBondContact O-N 3.26Å; I769-A772 PolarHBondContact O-N 3.38Å; L770-A772 VanDerWaalsContact C-N 3.32Å; L770-A772 PolarHBondContact O-N 2.89Å; A772-I970 HydrophobicContact CB-CD1 3.62Å
773	I	85.5	Confident	83.4	Confident	2 Å²	2	44 Å²	44	1%	0.01	23%	0.227	C	C	.	.	H	α-helix	trans	-101.9	-10.2	177.1	71.1	-173.4	0	0	0	113.6	I769 L770 D771 L778 L781 I963 K966	I769-I773 HydrophobicContact CG2-CD1 4.18Å; I769-I773 VanDerWaalsContact O-CG1 3.28Å; I769-I773 WeakPolarHBondContact O-CG1 3.32Å; I769-I773 WeakPolarHBondContact O-CG2 3.47Å; I769-I773 PolarHBondContact O-N 2.71Å; L770-I773 PolarHBondContact O-N 3.33Å; D771-I773 PolarHBondContact O-N 3.4Å; I773-L778 HydrophobicContact CB-CD1 4.24Å; I773-L778 HydrophobicContact CD1-CD1 4.5Å; I773-L778 HydrophobicContact CG1-CD1 4.47Å; I773-L781 HydrophobicContact CD1-CD1 3.6Å; I773-L781 HydrophobicContact CG1-CD1 3.58Å; I773-I963 HydrophobicContact CD1-CG1 4.29Å; I773-I963 HydrophobicContact CD1-CG2 4.44Å; I773-K966 HydrophobicContact CG2-CB 3.47Å; I773-K966 VanDerWaalsContact CG2-CB 3.47Å; I773-K966 HydrophobicContact CG2-CG 4.02Å
774	S	80	Confident	84.2	Confident	36 Å²	36	43.6 Å²	43.6	25%	0.252	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	175.9	178.3	71.5	0	0	0	0	113.5	L770 D771	L770-S774 VanDerWaalsContact O-CB 3.23Å; L770-S774 WeakPolarHBondContact O-CB 3.34Å; L770-S774 PolarHBondContact O-N 3.4Å; D771-S774 PolarHBondContact O-OG 3.06Å
775	G	78.9	Confident	84.6	Confident	19 Å²	19	39.4 Å²	39.4	20%	0.196	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.6	-137.4	179.1	0	0	0	0	0	113.6	E777 L778 E782	G775-E777 VanDerWaalsContact C-N 3.27Å; G775-E777 PolarHBondContact O-N 3.12Å; G775-L778 CarbonylContact O-C 3.59Å; G775-L778 PolarHBondContact O-N 3.15Å; G775-E782 VanDerWaalsContact CA-OE1 3.3Å; G775-E782 WeakPolarHBondContact CA-OE1 3.16Å
776	K	69.2	Low	85	Confident	211 Å²	211	43.6 Å²	43.6	92%	0.917	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-20.8	-165.6	-68	-177.7	179.8	176.6	0	114.8
777	E	72.1	Confident	85.3	Confident	104 Å²	104	45 Å²	45	49%	0.486	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-39.8	-178.5	-65.4	-170	143.4	0	0	112.7	G775 K966	G775-E777 VanDerWaalsContact C-N 3.27Å; G775-E777 PolarHBondContact O-N 3.12Å; E777-K966 IonicContact OE1-NZ 3.13Å; E777-K966 PolarHBondContact OE1-NZ 2.69Å; E777-K966 WeakPolarHBondContact OE2-CE 3.2Å; E777-K966 IonicContact OE2-NZ 3.83Å; E777-K966 PolarHBondContact OE2-NZ 2.97Å
778	L	84	Confident	85.7	Confident	7 Å²	7	44.5 Å²	44.5	4%	0.037	24%	0.237	C	C	.	.			trans	-134.7	71.5	179.6	-65.4	177.3	0	0	0	111.6	I773 G775 C780 L781 I959 K962 I963	I773-L778 HydrophobicContact CB-CD1 4.24Å; I773-L778 HydrophobicContact CD1-CD1 4.5Å; I773-L778 HydrophobicContact CG1-CD1 4.47Å; G775-L778 CarbonylContact O-C 3.59Å; G775-L778 PolarHBondContact O-N 3.15Å; L778-C780 PolarHBondContact O-N 2.97Å; L778-L781 HydrophobicContact CB-CD1 3.83Å; L778-L781 HydrophobicContact CB-CG 4.15Å; L778-L781 HydrophobicContact CD1-CD1 3.73Å; L778-L781 HydrophobicContact CG-CD1 4.45Å; L778-L781 PolarHBondContact O-N 2.86Å; L778-I959 HydrophobicContact CD2-CG2 4.28Å; L778-K962 HydrophobicContact CD2-CB 4.35Å; L778-K962 HydrophobicContact CD2-CD 4.09Å; L778-I963 HydrophobicContact CD1-CD1 4.21Å; L778-I963 HydrophobicContact CD1-CG1 3.51Å
779	P	85.6	Confident	86	Confident	76 Å²	76	46.2 Å²	46.2	49%	0.494	24%	0.244	S	C	.	.	H	α-helix	trans	-62.5	-17.2	-179.9	25.2	-35.4	0	0	0	114	L781 E782 E783	P779-L781 VanDerWaalsContact C-N 3.25Å; P779-L781 PolarHBondContact O-N 2.88Å; P779-E782 PolarHBondContact O-N 2.83Å; P779-E783 PolarHBondContact O-N 3.4Å
780	C	87.4	Confident	86.3	Confident	17 Å²	17	49.7 Å²	49.7	12%	0.115	26%	0.261	C	S	.	.	H	α-helix	trans	-64.3	-26.6	172.3	52.2	0	0	0	0	113.3	L778 L784 L880	L778-C780 PolarHBondContact O-N 2.97Å; C780-L784 VanDerWaalsContact O-CB 3.29Å; C780-L784 WeakPolarHBondContact O-CB 3.43Å; C780-L784 PolarHBondContact O-N 3.29Å; C780-L880 HydrophobicContact CB-CD2 4.35Å
781	L	89.8	Confident	86.6	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-75.5	-37.5	175.3	-65.8	173.7	0	0	0	111.6	I773 L778 P779 E783 E785 L880 L884	I773-L781 HydrophobicContact CD1-CD1 3.6Å; I773-L781 HydrophobicContact CG1-CD1 3.58Å; L778-L781 HydrophobicContact CB-CD1 3.83Å; L778-L781 HydrophobicContact CB-CG 4.15Å; L778-L781 HydrophobicContact CD1-CD1 3.73Å; L778-L781 HydrophobicContact CG-CD1 4.45Å; L778-L781 PolarHBondContact O-N 2.86Å; P779-L781 VanDerWaalsContact C-N 3.25Å; P779-L781 PolarHBondContact O-N 2.88Å; L781-E783 VanDerWaalsContact C-N 3.34Å; L781-E785 VanDerWaalsContact O-CB 3.3Å; L781-E785 WeakPolarHBondContact O-CB 3.43Å; L781-E785 PolarHBondContact O-N 2.9Å; L781-L880 HydrophobicContact CD2-CD1 4.37Å; L781-L880 HydrophobicContact CD2-CD2 4.03Å; L781-L880 HydrophobicContact CD2-CG 4.39Å; L781-L884 HydrophobicContact CD2-CD1 3.68Å; L781-L884 HydrophobicContact CD2-CD2 4.16Å; L781-L884 HydrophobicContact CD2-CG 4.48Å
782	E	88.4	Confident	87	Confident	86 Å²	86	47.5 Å²	47.5	40%	0.402	25%	0.249	S	C	.	.	H	α-helix	trans	-62.5	-43.4	170.2	-63.5	-168.3	154.2	0	0	111	G775 P779 E785 N786	G775-E782 VanDerWaalsContact CA-OE1 3.3Å; G775-E782 WeakPolarHBondContact CA-OE1 3.16Å; P779-E782 PolarHBondContact O-N 2.83Å; E782-E785 PolarHBondContact O-N 3.13Å; E782-N786 WeakPolarHBondContact O-CB 3.32Å; E782-N786 PolarHBondContact O-N 3.4Å; E782-N786 PolarHBondContact O-ND2 3.31Å
783	E	89.6	Confident	87.3	Confident	121 Å²	121	45.6 Å²	45.6	57%	0.565	23%	0.232	S	C	*	.	H	α-helix	trans	-63.5	-46.2	179	-174.5	162.2	-151.6	0	0	111.6	P779 L781 N786 N787	P779-E783 PolarHBondContact O-N 3.4Å; L781-E783 VanDerWaalsContact C-N 3.34Å; E783-N786 PolarHBondContact O-N 2.99Å; E783-N787 WeakPolarHBondContact O-CB 3.44Å; E783-N787 PolarHBondContact O-N 3.14Å; E783-N787 PolarHBondContact O-ND2 3.43Å; E783-N787 VanDerWaalsContact O-ND2 3.14Å
784	L	92	Very high	87.5	Confident	3 Å²	3	46.7 Å²	46.7	2%	0.016	24%	0.237	C	C	.	.	H	α-helix	trans	-58.8	-49.2	174.6	176.8	57.3	0	0	0	112.2	C780 N786 N787 L788 I829 F871 L880 I881 L884	C780-L784 VanDerWaalsContact O-CB 3.29Å; C780-L784 WeakPolarHBondContact O-CB 3.43Å; C780-L784 PolarHBondContact O-N 3.29Å; L784-N786 PolarHBondContact O-N 2.86Å; L784-N787 PolarHBondContact O-N 3.15Å; L784-L788 HydrophobicContact CD1-CD1 3.77Å; L784-L788 HydrophobicContact CD1-CG 4.03Å; L784-L788 HydrophobicContact CG-CD1 3.95Å; L784-L788 WeakPolarHBondContact O-CB 3.36Å; L784-L788 VanDerWaalsContact O-CG 3.31Å; L784-L788 WeakPolarHBondContact O-CG 3.43Å; L784-L788 PolarHBondContact O-N 3.33Å; L784-I829 HydrophobicContact CB-CD1 4.07Å; L784-I829 HydrophobicContact CD2-CD1 3.82Å; L784-I829 HydrophobicContact CD2-CG1 4.2Å; L784-I829 HydrophobicContact CG-CD1 3.75Å; L784-I829 HydrophobicContact CG-CG1 4.07Å; L784-F871 HydrophobicContact CD1-CE2 3.6Å; L784-F871 HydrophobicContact CD1-CZ 3.69Å; L784-L880 HydrophobicContact CD2-CD2 4.05Å; L784-L880 HydrophobicContact CD2-CG 4Å; L784-I881 HydrophobicContact CD1-CD1 3.93Å; L784-I881 HydrophobicContact CD1-CG1 3.75Å; L784-I881 HydrophobicContact CD2-CG1 4.11Å; L784-L884 HydrophobicContact CD2-CD1 3.69Å
785	E	91.6	Very high	87.9	Confident	9 Å²	9	45.1 Å²	45.1	4%	0.042	23%	0.226	C	C	.	.	H	α-helix	trans	-62.4	-44.1	180	176.2	62.3	-156.1	0	0	112.1	L781 E782 L788 K789 W827 I828 I829	L781-E785 VanDerWaalsContact O-CB 3.3Å; L781-E785 WeakPolarHBondContact O-CB 3.43Å; L781-E785 PolarHBondContact O-N 2.9Å; E782-E785 PolarHBondContact O-N 3.13Å; E785-L788 PolarHBondContact O-N 3.18Å; E785-K789 HydrophobicContact CG-CD 4.47Å; E785-K789 WeakPolarHBondContact O-CB 3.34Å; E785-K789 PolarHBondContact O-N 2.88Å; E785-K789 WeakPolarHBondContact OE1-CD 3.26Å; E785-K789 WeakPolarHBondContact OE1-CE 3.37Å; E785-K789 IonicContact OE1-NZ 3.62Å; E785-K789 PolarHBondContact OE1-NZ 3.45Å; E785-W827 HydrophobicContact CB-CE3 3.92Å; E785-W827 HydrophobicContact CB-CZ3 3.68Å; E785-W827 HydrophobicContact CG-CE3 3.62Å; E785-W827 HydrophobicContact CG-CZ3 3.72Å; E785-W827 WeakPolarHBondContact OE1-CA 3.42Å; E785-I828 VanDerWaalsContact CD-N 3.27Å; E785-I828 PolarHBondContact OE1-N 2.89Å; E785-I828 PolarHBondContact OE2-N 3.37Å; E785-I829 HydrophobicContact CB-CD1 3.83Å; E785-I829 HydrophobicContact CB-CG1 4.35Å; E785-I829 WeakPolarHBondContact OE2-CG1 3.46Å; E785-I829 PolarHBondContact OE2-N 3.3Å
786	N	91.8	Very high	88.3	Confident	89 Å²	89	47.9 Å²	47.9	48%	0.476	23%	0.23	S	C	.	.	H	α-helix	trans	-65.5	-41	177.5	-79.5	-78	0	0	0	111.6	E782 E783 L784 K789 Q790	E782-N786 WeakPolarHBondContact O-CB 3.32Å; E782-N786 PolarHBondContact O-N 3.4Å; E782-N786 PolarHBondContact O-ND2 3.31Å; E783-N786 PolarHBondContact O-N 2.99Å; L784-N786 PolarHBondContact O-N 2.86Å; N786-K789 PolarHBondContact O-N 2.77Å; N786-Q790 WeakPolarHBondContact O-CB 3.36Å; N786-Q790 PolarHBondContact O-N 3.01Å
787	N	93.8	Very high	89.1	Confident	35 Å²	35	42.5 Å²	42.5	19%	0.187	21%	0.205	C	C	.	.	H	α-helix	trans	-66.6	-40.6	178	-71.7	-24.5	0	0	0	112	E783 L784 Q790 L791 F871	E783-N787 WeakPolarHBondContact O-CB 3.44Å; E783-N787 PolarHBondContact O-N 3.14Å; E783-N787 PolarHBondContact O-ND2 3.43Å; E783-N787 VanDerWaalsContact O-ND2 3.14Å; L784-N787 PolarHBondContact O-N 3.15Å; N787-Q790 PolarHBondContact O-N 3.35Å; N787-L791 WeakPolarHBondContact O-CB 3.32Å; N787-L791 PolarHBondContact O-N 3.39Å; N787-F871 HydrophobicContact CB-CB 4.38Å; N787-F871 HydrophobicContact CB-CD1 3.82Å; N787-F871 HydrophobicContact CB-CD2 3.58Å; N787-F871 HydrophobicContact CB-CE1 3.91Å; N787-F871 HydrophobicContact CB-CE2 3.67Å; N787-F871 HydrophobicContact CB-CG 3.65Å; N787-F871 HydrophobicContact CB-CZ 3.84Å; N787-F871 VanDerWaalsContact ND2-CD2 3.33Å; N787-F871 WeakPolarHBondContact ND2-CD2 3.4Å
788	L	93.4	Very high	89.7	Confident	3 Å²	3	39 Å²	39	2%	0.016	19%	0.192	C	C	.	.	H	α-helix	trans	-64.8	-47.3	173.9	-71.8	169.1	0	0	0	111.6	L784 E785 Q790 L791 L792 I828 I829 L835 L838 F871 I881	L784-L788 HydrophobicContact CD1-CD1 3.77Å; L784-L788 HydrophobicContact CD1-CG 4.03Å; L784-L788 HydrophobicContact CG-CD1 3.95Å; L784-L788 WeakPolarHBondContact O-CB 3.36Å; L784-L788 VanDerWaalsContact O-CG 3.31Å; L784-L788 WeakPolarHBondContact O-CG 3.43Å; L784-L788 PolarHBondContact O-N 3.33Å; E785-L788 PolarHBondContact O-N 3.18Å; L788-Q790 VanDerWaalsContact C-N 3.28Å; L788-Q790 PolarHBondContact O-N 2.8Å; L788-L791 WeakPolarHBondContact O-CB 3.41Å; L788-L791 PolarHBondContact O-N 2.9Å; L788-L792 WeakPolarHBondContact O-CG 3.3Å; L788-L792 PolarHBondContact O-N 3.39Å; L788-I828 HydrophobicContact CB-CB 4.44Å; L788-I828 HydrophobicContact CB-CG2 3.83Å; L788-I828 HydrophobicContact CD1-CG2 4.38Å; L788-I829 HydrophobicContact CD1-CG1 3.83Å; L788-L835 HydrophobicContact CD1-CD2 3.88Å; L788-L835 HydrophobicContact CD2-CD2 4.41Å; L788-L838 HydrophobicContact CD2-CD2 3.46Å; L788-L838 VanDerWaalsContact CD2-CD2 3.46Å; L788-F871 HydrophobicContact CD2-CE1 4.25Å; L788-F871 HydrophobicContact CD2-CZ 4.03Å; L788-F871 HydrophobicContact CG-CZ 4.07Å; L788-I881 HydrophobicContact CD2-CD1 4.47Å
789	K	91.9	Very high	89.7	Confident	45 Å²	45	43.8 Å²	43.8	20%	0.196	22%	0.223	C	C	.	.	H	α-helix	trans	-58	-39.4	173.7	-84.1	-179.6	159.2	128.7	0	112.3	E785 N786 S793 I822 V825 R826 I828	E785-K789 HydrophobicContact CG-CD 4.47Å; E785-K789 WeakPolarHBondContact O-CB 3.34Å; E785-K789 PolarHBondContact O-N 2.88Å; E785-K789 WeakPolarHBondContact OE1-CD 3.26Å; E785-K789 WeakPolarHBondContact OE1-CE 3.37Å; E785-K789 IonicContact OE1-NZ 3.62Å; E785-K789 PolarHBondContact OE1-NZ 3.45Å; N786-K789 PolarHBondContact O-N 2.77Å; K789-S793 WeakPolarHBondContact O-CB 3.43Å; K789-S793 PolarHBondContact O-N 2.89Å; K789-S793 PolarHBondContact O-OG 2.77Å; K789-I822 HydrophobicContact CB-CG2 4.32Å; K789-I822 WeakPolarHBondContact CE-O 3.48Å; K789-I822 HydrophobicContact CG-CG2 4.03Å; K789-V825 WeakPolarHBondContact CE-O 3.35Å; K789-V825 PolarHBondContact NZ-O 2.89Å; K789-R826 PolarHBondContact NZ-O 3.41Å; K789-I828 HydrophobicContact CD-CG1 4.45Å; K789-I828 HydrophobicContact CG-CB 4.41Å; K789-I828 HydrophobicContact CG-CG1 3.57Å
790	Q	92.8	Very high	89.7	Confident	78 Å²	78	45.4 Å²	45.4	36%	0.364	22%	0.22	S	C	.	.	H	α-helix	trans	-69	-41	176	-171	175	-2	0	0	112.1	N786 N787 L788 S793 F794 L868	N786-Q790 WeakPolarHBondContact O-CB 3.36Å; N786-Q790 PolarHBondContact O-N 3.01Å; N787-Q790 PolarHBondContact O-N 3.35Å; L788-Q790 VanDerWaalsContact C-N 3.28Å; L788-Q790 PolarHBondContact O-N 2.8Å; Q790-S793 PolarHBondContact O-N 3.2Å; Q790-F794 VanDerWaalsContact O-CB 3.28Å; Q790-F794 WeakPolarHBondContact O-CB 3.37Å; Q790-F794 PolarHBondContact O-N 3.38Å; Q790-L868 HydrophobicContact CB-CD2 4.13Å; Q790-L868 HydrophobicContact CG-CD2 4.07Å
791	L	93.1	Very high	89.6	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-58.7	-52.9	177.1	-179.9	61	0	0	0	111.4	N787 L788 S793 F794 Y795 L838 V845 L849 L868 L872	N787-L791 WeakPolarHBondContact O-CB 3.32Å; N787-L791 PolarHBondContact O-N 3.39Å; L788-L791 WeakPolarHBondContact O-CB 3.41Å; L788-L791 PolarHBondContact O-N 2.9Å; L791-S793 VanDerWaalsContact C-N 3.35Å; L791-S793 PolarHBondContact O-N 2.92Å; L791-F794 PolarHBondContact O-N 3.29Å; L791-Y795 HydrophobicContact CD1-CD2 4.35Å; L791-Y795 HydrophobicContact CD1-CE2 3.85Å; L791-Y795 VanDerWaalsContact O-CD2 3.3Å; L791-Y795 WeakPolarHBondContact O-CD2 3.46Å; L791-L838 HydrophobicContact CD2-CD1 3.73Å; L791-L838 HydrophobicContact CD2-CD2 4.1Å; L791-V845 HydrophobicContact CD1-CG1 4.27Å; L791-L849 HydrophobicContact CD1-CD1 3.99Å; L791-L868 HydrophobicContact CB-CD2 3.95Å; L791-L868 HydrophobicContact CD1-CB 4.36Å; L791-L868 HydrophobicContact CD1-CD1 4.09Å; L791-L868 HydrophobicContact CD1-CD2 4.44Å; L791-L872 HydrophobicContact CD2-CD1 4.29Å; L791-L872 HydrophobicContact CD2-CD2 4.29Å
792	L	92.1	Very high	89.5	Confident	4 Å²	4	45.2 Å²	45.2	2%	0.021	22%	0.217	C	C	.	.	H	α-helix	trans	-65.1	-40.4	179.8	-59.1	170.1	0	0	0	110.9	L788 F794 Y795 R796 L812 T816 L819 I822 I828 V834	L788-L792 WeakPolarHBondContact O-CG 3.3Å; L788-L792 PolarHBondContact O-N 3.39Å; L792-F794 PolarHBondContact O-N 3.18Å; L792-Y795 PolarHBondContact O-N 2.68Å; L792-R796 WeakPolarHBondContact O-CB 3.26Å; L792-R796 PolarHBondContact O-N 3.13Å; L792-L812 HydrophobicContact CD2-CD1 3.94Å; L792-T816 HydrophobicContact CB-CG2 4.3Å; L792-T816 HydrophobicContact CD2-CG2 4.31Å; L792-T816 VanDerWaalsContact CD2-OG1 3.27Å; L792-T816 WeakPolarHBondContact CD2-OG1 3.28Å; L792-L819 HydrophobicContact CD1-CD1 3.85Å; L792-I822 HydrophobicContact CB-CD1 3.62Å; L792-I822 HydrophobicContact CB-CG1 4.18Å; L792-I822 HydrophobicContact CB-CG2 4.29Å; L792-I828 HydrophobicContact CD1-CB 4.49Å; L792-I828 HydrophobicContact CD1-CD1 3.77Å; L792-I828 HydrophobicContact CD1-CG1 4.11Å; L792-I828 HydrophobicContact CD1-CG2 3.55Å; L792-V834 HydrophobicContact CD1-CG1 3.91Å; L792-V834 HydrophobicContact CD2-CG1 3.94Å
793	S	90.1	Very high	89.3	Confident	13 Å²	13	44.4 Å²	44.4	9%	0.091	22%	0.22	C	C	.	.	H	α-helix	trans	-65.3	-38.2	178.7	-65.1	0	0	0	0	112.8	K789 Q790 L791 Y795 R796 Y797	K789-S793 WeakPolarHBondContact O-CB 3.43Å; K789-S793 PolarHBondContact O-N 2.89Å; K789-S793 PolarHBondContact O-OG 2.77Å; Q790-S793 PolarHBondContact O-N 3.2Å; L791-S793 VanDerWaalsContact C-N 3.35Å; L791-S793 PolarHBondContact O-N 2.92Å; S793-Y795 PolarHBondContact O-N 3.2Å; S793-R796 PolarHBondContact O-N 2.97Å; S793-Y797 WeakPolarHBondContact O-CB 3.43Å; S793-Y797 WeakPolarHBondContact O-CD2 3.44Å; S793-Y797 PolarHBondContact O-N 2.9Å
794	F	89.8	Confident	89.2	Confident	24 Å²	24	41.4 Å²	41.4	11%	0.105	21%	0.206	C	C	.	.	H	α-helix	trans	-58.7	-37	178.6	177	-107.7	0	0	0	112.1	Q790 L791 L792 S798 L801 L849 V852 A861 I864 A865 L868	Q790-F794 VanDerWaalsContact O-CB 3.28Å; Q790-F794 WeakPolarHBondContact O-CB 3.37Å; Q790-F794 PolarHBondContact O-N 3.38Å; L791-F794 PolarHBondContact O-N 3.29Å; L792-F794 PolarHBondContact O-N 3.18Å; F794-S798 WeakPolarHBondContact O-CB 3.38Å; F794-L801 HydrophobicContact CD1-CD1 4.24Å; F794-L801 HydrophobicContact CD2-CD1 4.38Å; F794-L801 HydrophobicContact CE1-CD1 3.76Å; F794-L801 HydrophobicContact CE2-CD1 3.93Å; F794-L801 HydrophobicContact CZ-CD1 3.59Å; F794-L849 HydrophobicContact CD1-CD2 4.23Å; F794-L849 HydrophobicContact CE1-CD2 3.84Å; F794-V852 HydrophobicContact CZ-CG1 4.07Å; F794-A861 HydrophobicContact CE2-CB 4.32Å; F794-I864 HydrophobicContact CD2-CB 4.23Å; F794-I864 HydrophobicContact CD2-CG2 3.46Å; F794-I864 VanDerWaalsContact CD2-CG2 3.46Å; F794-I864 HydrophobicContact CE2-CB 4.12Å; F794-I864 HydrophobicContact CE2-CG2 3.81Å; F794-I864 HydrophobicContact CG-CG2 4.16Å; F794-A865 HydrophobicContact CE1-CB 4.33Å; F794-A865 HydrophobicContact CZ-CB 3.88Å; F794-L868 HydrophobicContact CB-CD1 3.81Å; F794-L868 HydrophobicContact CD1-CD1 3.92Å; F794-L868 HydrophobicContact CD2-CD1 4.45Å; F794-L868 HydrophobicContact CG-CD1 3.83Å
795	Y	89.3	Confident	88.9	Confident	3 Å²	3	41.3 Å²	41.3	1%	0.012	21%	0.206	C	C	.	.	H	α-helix	trans	-82.2	-54.6	173.8	-69.9	-64.7	0	0	0	112.4	L791 L792 S793 Y797 S798 L801 L805 H848	L791-Y795 HydrophobicContact CD1-CD2 4.35Å; L791-Y795 HydrophobicContact CD1-CE2 3.85Å; L791-Y795 VanDerWaalsContact O-CD2 3.3Å; L791-Y795 WeakPolarHBondContact O-CD2 3.46Å; L792-Y795 PolarHBondContact O-N 2.68Å; S793-Y795 PolarHBondContact O-N 3.2Å; Y795-Y797 VanDerWaalsContact C-N 3.29Å; Y795-Y797 PolarHBondContact O-N 2.98Å; Y795-S798 CarbonylContact O-C 3.56Å; Y795-S798 PolarHBondContact O-N 3.41Å; Y795-L801 HydrophobicContact CD1-CB 3.96Å; Y795-L801 HydrophobicContact CE1-CB 4.29Å; Y795-L805 HydrophobicContact CD1-CB 3.96Å; Y795-L805 HydrophobicContact CD1-CD2 3.66Å; Y795-L805 HydrophobicContact CD1-CG 4.31Å; Y795-L805 HydrophobicContact CD2-CD2 3.75Å; Y795-L805 HydrophobicContact CE1-CB 3.87Å; Y795-L805 HydrophobicContact CE1-CD1 4.1Å; Y795-L805 HydrophobicContact CE1-CD2 3.74Å; Y795-L805 HydrophobicContact CE1-CG 4.11Å; Y795-L805 HydrophobicContact CE2-CD2 3.81Å; Y795-L805 HydrophobicContact CG-CD2 3.67Å; Y795-H848 AromaticContact CE1-CE1 3.65Å; Y795-H848 AromaticContact CE1-ND1 3.41Å; Y795-H848 WeakPolarHBondContact CE1-ND1 3.28Å; Y795-H848 AromaticContact CZ-ND1 3.66Å; Y795-H848 PolarHBondContact OH-ND1 2.71Å
796	R	86.8	Confident	88.8	Confident	77 Å²	77	45.9 Å²	45.9	29%	0.291	22%	0.223	S	C	.	.	H	α-helix	trans	-55.6	-38	-174.6	-178.7	58	156.6	178.7	-17.3	114.1	L792 S793 T816 E817 G820 I822	L792-R796 WeakPolarHBondContact O-CB 3.26Å; L792-R796 PolarHBondContact O-N 3.13Å; S793-R796 PolarHBondContact O-N 2.97Å; R796-T816 HydrophobicContact CB-CG2 3.96Å; R796-E817 PolarHBondContact NH2-O 2.85Å; R796-G820 PolarHBondContact NE-O 3.32Å; R796-G820 PolarHBondContact NH2-O 2.85Å; R796-I822 HydrophobicContact CB-CD1 3.5Å; R796-I822 HydrophobicContact CG-CD1 3.69Å
797	Y	86	Confident	88.4	Confident	99 Å²	99	46.4 Å²	46.4	39%	0.388	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92	4.6	-179.3	-65.1	-65.6	0	0	0	114	F305 S793 Y795 D821 R823	F305-Y797 HydrophobicContact CE1-CD2 4.42Å; S793-Y797 WeakPolarHBondContact O-CB 3.43Å; S793-Y797 WeakPolarHBondContact O-CD2 3.44Å; S793-Y797 PolarHBondContact O-N 2.9Å; Y795-Y797 VanDerWaalsContact C-N 3.29Å; Y795-Y797 PolarHBondContact O-N 2.98Å; Y797-D821 PolarHBondContact OH-OD1 2.95Å; Y797-R823 PolarHBondContact OH-NE 2.92Å
798	S	85.5	Confident	88	Confident	31 Å²	31	48.5 Å²	48.5	22%	0.217	25%	0.248	C	C	.	.			trans	-126.8	89	176.7	-174.8	0	0	0	0	110.6	F794 Y795 R800 L801 M802	F794-S798 WeakPolarHBondContact O-CB 3.38Å; Y795-S798 CarbonylContact O-C 3.56Å; Y795-S798 PolarHBondContact O-N 3.41Å; S798-R800 PolarHBondContact O-N 3.11Å; S798-L801 PolarHBondContact O-N 2.72Å; S798-L801 WeakPolarHBondContact OG-CD1 3.44Å; S798-L801 WeakPolarHBondContact OG-CG 3.43Å; S798-M802 PolarHBondContact O-N 2.99Å
799	P	83.2	Confident	87.8	Confident	107 Å²	107	48.4 Å²	48.4	70%	0.695	25%	0.247	S	C	*	.	H	α-helix	trans	-54.6	-27.3	-176.4	-28.8	35.9	0	0	0	114.6	C803	P799-C803 WeakPolarHBondContact O-CB 3.32Å; P799-C803 PolarHBondContact O-N 2.68Å; P799-C803 VanDerWaalsContact O-N 3.08Å
800	R	85.6	Confident	87.6	Confident	110 Å²	110	48.1 Å²	48.1	42%	0.415	25%	0.253	S	S	.	.	H	α-helix	trans	-68.4	-53.8	174.2	-143.2	-157.5	72.1	161	13.3	111.2	S798 M802 C803 E804 R858	S798-R800 PolarHBondContact O-N 3.11Å; R800-M802 VanDerWaalsContact C-N 3.26Å; R800-M802 PolarHBondContact O-N 2.99Å; R800-C803 PolarHBondContact O-N 3.1Å; R800-C803 VanDerWaalsContact O-N 3.13Å; R800-E804 WeakPolarHBondContact CD-OE1 3.44Å; R800-E804 VanDerWaalsContact CG-OE1 3.27Å; R800-E804 WeakPolarHBondContact CG-OE1 3.47Å; R800-E804 IonicContact CZ-OE1 3.68Å; R800-E804 IonicContact CZ-OE2 2.68Å; R800-E804 IonicContact NE-OE1 2.7Å; R800-E804 PolarHBondContact NE-OE1 2.71Å; R800-E804 IonicContact NE-OE2 2.72Å; R800-E804 VanDerWaalsContact NH2-CD 3.34Å; R800-E804 IonicContact NH2-OE1 3.92Å; R800-E804 PolarHBondContact NH2-OE1 3.07Å; R800-E804 IonicContact NH2-OE2 2.7Å; R800-E804 PolarHBondContact NH2-OE2 3.41Å; R800-E804 PolarHBondContact O-N 3.22Å; R800-R858 VanDerWaalsContact CZ-NH1 3.3Å
801	L	86.3	Confident	87.4	Confident	5 Å²	5	45.9 Å²	45.9	3%	0.026	25%	0.245	C	C	.	.	H	α-helix	trans	-63.8	-33.1	177.4	-62.8	175.2	0	0	0	111.8	F794 Y795 S798 L805 V852	F794-L801 HydrophobicContact CD1-CD1 4.24Å; F794-L801 HydrophobicContact CD2-CD1 4.38Å; F794-L801 HydrophobicContact CE1-CD1 3.76Å; F794-L801 HydrophobicContact CE2-CD1 3.93Å; F794-L801 HydrophobicContact CZ-CD1 3.59Å; Y795-L801 HydrophobicContact CD1-CB 3.96Å; Y795-L801 HydrophobicContact CE1-CB 4.29Å; S798-L801 PolarHBondContact O-N 2.72Å; S798-L801 WeakPolarHBondContact OG-CD1 3.44Å; S798-L801 WeakPolarHBondContact OG-CG 3.43Å; L801-L805 VanDerWaalsContact O-CB 3.23Å; L801-L805 WeakPolarHBondContact O-CB 3.4Å; L801-L805 PolarHBondContact O-N 3.32Å; L801-V852 HydrophobicContact CD2-CG1 4.34Å; L801-V852 HydrophobicContact CD2-CG2 3.92Å
802	M	85.7	Confident	87.2	Confident	8 Å²	8	46 Å²	46	4%	0.039	25%	0.245	C	C	.	.	H	α-helix	trans	-65.4	-39.4	174.1	-158.5	70.6	172.6	0	0	112	S798 R800 R806 C813 T816 E817	S798-M802 PolarHBondContact O-N 2.99Å; R800-M802 VanDerWaalsContact C-N 3.26Å; R800-M802 PolarHBondContact O-N 2.99Å; M802-R806 WeakPolarHBondContact O-CB 3.36Å; M802-R806 PolarHBondContact O-N 3.19Å; M802-C813 HydrophobicContact CE-CB 4.31Å; M802-C813 WeakPolarHBondContact CE-O 3.43Å; M802-T816 HydrophobicContact CE-CG2 3.87Å; M802-E817 HydrophobicContact CE-CG 3.43Å; M802-E817 VanDerWaalsContact CE-CG 3.43Å
803	C	85.7	Confident	86.9	Confident	69 Å²	69	45.8 Å²	45.8	47%	0.466	24%	0.244	S	C	.	.	H	α-helix	trans	-75.1	-36.6	177.6	-164.2	0	0	0	0	112.6	P799 R800 S807	P799-C803 WeakPolarHBondContact O-CB 3.32Å; P799-C803 PolarHBondContact O-N 2.68Å; P799-C803 VanDerWaalsContact O-N 3.08Å; R800-C803 PolarHBondContact O-N 3.1Å; R800-C803 VanDerWaalsContact O-N 3.13Å; C803-S807 PolarHBondContact O-OG 3.36Å; C803-S807 VanDerWaalsContact O-OG 3.1Å
804	E	87.3	Confident	86.8	Confident	57 Å²	57	50.1 Å²	50.1	27%	0.266	26%	0.263	S	S	.	.	H	α-helix	trans	-58.8	-52.4	168.9	-78.7	147.5	-133.5	0	0	110.1	R800 R806 S807 H848	R800-E804 WeakPolarHBondContact CD-OE1 3.44Å; R800-E804 VanDerWaalsContact CG-OE1 3.27Å; R800-E804 WeakPolarHBondContact CG-OE1 3.47Å; R800-E804 IonicContact CZ-OE1 3.68Å; R800-E804 IonicContact CZ-OE2 2.68Å; R800-E804 IonicContact NE-OE1 2.7Å; R800-E804 PolarHBondContact NE-OE1 2.71Å; R800-E804 IonicContact NE-OE2 2.72Å; R800-E804 VanDerWaalsContact NH2-CD 3.34Å; R800-E804 IonicContact NH2-OE1 3.92Å; R800-E804 PolarHBondContact NH2-OE1 3.07Å; R800-E804 IonicContact NH2-OE2 2.7Å; R800-E804 PolarHBondContact NH2-OE2 3.41Å; R800-E804 PolarHBondContact O-N 3.22Å; E804-R806 PolarHBondContact O-N 2.9Å; E804-S807 WeakPolarHBondContact O-CB 3.49Å; E804-S807 PolarHBondContact O-N 2.68Å; E804-H848 WeakPolarHBondContact CB-NE2 3.49Å; E804-H848 IonicContact OE2-NE2 3.14Å
805	L	86.4	Confident	86.6	Confident	2 Å²	2	51.2 Å²	51.2	1%	0.01	27%	0.268	C	S	.	.	H	α-helix	trans	-64.7	-38.9	179.9	-170.2	71.1	0	0	0	113.2	Y795 L801 S807 T808 A809 V845 H848	Y795-L805 HydrophobicContact CD1-CB 3.96Å; Y795-L805 HydrophobicContact CD1-CD2 3.66Å; Y795-L805 HydrophobicContact CD1-CG 4.31Å; Y795-L805 HydrophobicContact CD2-CD2 3.75Å; Y795-L805 HydrophobicContact CE1-CB 3.87Å; Y795-L805 HydrophobicContact CE1-CD1 4.1Å; Y795-L805 HydrophobicContact CE1-CD2 3.74Å; Y795-L805 HydrophobicContact CE1-CG 4.11Å; Y795-L805 HydrophobicContact CE2-CD2 3.81Å; Y795-L805 HydrophobicContact CG-CD2 3.67Å; L801-L805 VanDerWaalsContact O-CB 3.23Å; L801-L805 WeakPolarHBondContact O-CB 3.4Å; L801-L805 PolarHBondContact O-N 3.32Å; L805-S807 PolarHBondContact O-N 2.82Å; L805-T808 PolarHBondContact O-N 3.45Å; L805-T808 PolarHBondContact O-OG1 2.87Å; L805-A809 HydrophobicContact CD1-CB 3.66Å; L805-A809 HydrophobicContact CD2-CB 4.48Å; L805-A809 HydrophobicContact CG-CB 3.88Å; L805-A809 PolarHBondContact O-N 3.17Å; L805-V845 HydrophobicContact CD1-CG2 4.19Å; L805-H848 HydrophobicContact CD1-CB 4.27Å
806	R	87.6	Confident	86.2	Confident	105 Å²	105	51.2 Å²	51.2	40%	0.396	27%	0.269	S	S	.	.	H	α-helix	trans	-62	-17.3	179.2	-160.2	-170.6	-65	117.9	-6.2	112.7	M802 E804 T808 C813 E817	M802-R806 WeakPolarHBondContact O-CB 3.36Å; M802-R806 PolarHBondContact O-N 3.19Å; E804-R806 PolarHBondContact O-N 2.9Å; R806-T808 VanDerWaalsContact C-N 3.33Å; R806-C813 VanDerWaalsContact CA-SG 3.53Å; R806-C813 HydrophobicContact CB-CB 4.14Å; R806-C813 HydrophobicContact CG-CB 4.02Å; R806-C813 PolarHBondContact N-SG 2.66Å; R806-E817 IonicContact CZ-OE1 3.19Å; R806-E817 IonicContact NH2-OE1 3.53Å; R806-E817 PolarHBondContact NH2-OE1 2.79Å; R806-E817 IonicContact NH2-OE2 2.68Å
807	S	84.8	Confident	86	Confident	100 Å²	100	50.8 Å²	50.8	70%	0.699	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-12.3	175.8	-54.2	0	0	0	0	113.5	C803 E804 L805	C803-S807 PolarHBondContact O-OG 3.36Å; C803-S807 VanDerWaalsContact O-OG 3.1Å; E804-S807 WeakPolarHBondContact O-CB 3.49Å; E804-S807 PolarHBondContact O-N 2.68Å; L805-S807 PolarHBondContact O-N 2.82Å
808	T	84.1	Confident	85.6	Confident	79 Å²	79	53.7 Å²	53.7	49%	0.485	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-128	-54.5	-178.2	57.4	0	0	0	0	112.4	L805 R806	L805-T808 PolarHBondContact O-N 3.45Å; L805-T808 PolarHBondContact O-OG1 2.87Å; R806-T808 VanDerWaalsContact C-N 3.33Å
809	A	89.9	Confident	84.8	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	28%	0.282	C	S	.	.			trans	-106.3	69.7	-179.9	0	0	0	0	0	111.4	L805 T811 C813 D841 E844 V845	L805-A809 HydrophobicContact CD1-CB 3.66Å; L805-A809 HydrophobicContact CD2-CB 4.48Å; L805-A809 HydrophobicContact CG-CB 3.88Å; L805-A809 PolarHBondContact O-N 3.17Å; A809-T811 PolarHBondContact O-N 3.07Å; A809-C813 PolarHBondContact O-N 2.96Å; A809-C813 PolarHBondContact O-SG 3.21Å; A809-C813 VanDerWaalsContact O-SG 3.42Å; A809-D841 VanDerWaalsContact CA-OD2 3.29Å; A809-D841 WeakPolarHBondContact CA-OD2 3.34Å; A809-D841 HydrophobicContact CB-CB 3.53Å; A809-E844 HydrophobicContact CB-CB 3.95Å; A809-V845 HydrophobicContact CB-CG2 3.84Å
810	A	87.7	Confident	84.3	Confident	40 Å²	40	50.4 Å²	50.4	33%	0.331	27%	0.268	S	S	.	.	H	α-helix	trans	-64.9	-36.9	-175.5	0	0	0	0	0	113.5	C813 E814 D841	A810-C813 WeakPolarHBondContact O-CB 3.38Å; A810-C813 PolarHBondContact O-N 3.13Å; A810-E814 WeakPolarHBondContact O-CG 3.22Å; A810-E814 PolarHBondContact O-N 3.16Å; A810-D841 PolarHBondContact N-OD2 3.45Å
811	T	88.9	Confident	83.7	Confident	30 Å²	30	47.9 Å²	47.9	18%	0.184	26%	0.263	C	S	.	.	H	α-helix	trans	-66.4	-46.6	-177	-28.4	0	0	0	0	111.2	A809 C813 E814 E815 A837 K840 D841	A809-T811 PolarHBondContact O-N 3.07Å; T811-C813 VanDerWaalsContact C-N 3.3Å; T811-C813 PolarHBondContact O-N 2.74Å; T811-E814 PolarHBondContact O-N 3Å; T811-E815 PolarHBondContact O-N 3.14Å; T811-E815 VanDerWaalsContact O-N 3.11Å; T811-A837 HydrophobicContact CG2-CB 3.92Å; T811-K840 HydrophobicContact CG2-CD 4.04Å; T811-K840 WeakPolarHBondContact OG1-CD 3.29Å; T811-K840 VanDerWaalsContact OG1-CE 3.25Å; T811-K840 WeakPolarHBondContact OG1-CE 3.42Å; T811-K840 PolarHBondContact OG1-NZ 2.73Å; T811-D841 VanDerWaalsContact CA-OD2 3.31Å; T811-D841 WeakPolarHBondContact CA-OD2 3.49Å; T811-D841 WeakPolarHBondContact CB-OD1 3.19Å; T811-D841 WeakPolarHBondContact CB-OD2 3.25Å; T811-D841 PolarHBondContact N-OD2 3.49Å; T811-D841 VanDerWaalsContact OG1-CG 3.27Å; T811-D841 PolarHBondContact OG1-OD1 3.32Å; T811-D841 PolarHBondContact OG1-OD2 2.74Å; T811-D841 VanDerWaalsContact OG1-OD2 3.1Å
812	L	88.6	Confident	83.4	Confident	2 Å²	2	47.7 Å²	47.7	1%	0.01	26%	0.262	C	S	.	.	H	α-helix	trans	-67	-35.9	178.2	-174.5	62.8	0	0	0	110.8	L792 T816 V834 A837 L838 D841 V845	L792-L812 HydrophobicContact CD2-CD1 3.94Å; L812-T816 WeakPolarHBondContact O-CB 3.39Å; L812-T816 PolarHBondContact O-N 2.9Å; L812-T816 PolarHBondContact O-OG1 3.06Å; L812-V834 HydrophobicContact CD1-CG1 4.36Å; L812-A837 HydrophobicContact CB-CB 4.44Å; L812-A837 HydrophobicContact CD1-CB 4.29Å; L812-L838 HydrophobicContact CD1-CB 4.14Å; L812-L838 HydrophobicContact CD2-CD1 3.88Å; L812-D841 PolarHBondContact N-OD2 2.9Å; L812-V845 HydrophobicContact CD2-CG2 3.54Å
813	C	86.6	Confident	82.8	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-60	-48.9	172.5	-78.4	0	0	0	0	112.3	M802 R806 A809 A810 T811 T816 E817	M802-C813 HydrophobicContact CE-CB 4.31Å; M802-C813 WeakPolarHBondContact CE-O 3.43Å; R806-C813 VanDerWaalsContact CA-SG 3.53Å; R806-C813 HydrophobicContact CB-CB 4.14Å; R806-C813 HydrophobicContact CG-CB 4.02Å; R806-C813 PolarHBondContact N-SG 2.66Å; A809-C813 PolarHBondContact O-N 2.96Å; A809-C813 PolarHBondContact O-SG 3.21Å; A809-C813 VanDerWaalsContact O-SG 3.42Å; A810-C813 WeakPolarHBondContact O-CB 3.38Å; A810-C813 PolarHBondContact O-N 3.13Å; T811-C813 VanDerWaalsContact C-N 3.3Å; T811-C813 PolarHBondContact O-N 2.74Å; C813-T816 PolarHBondContact O-N 2.81Å; C813-E817 WeakPolarHBondContact O-CG 3.25Å; C813-E817 PolarHBondContact O-N 3.07Å
814	E	86.9	Confident	81.8	Confident	104 Å²	104	54.1 Å²	54.1	49%	0.486	29%	0.288	S	S	.	.	H	α-helix	trans	-59.9	-53.4	-179.9	-74.9	172.6	-168.5	0	0	111.7	A810 T811 T816 E817 F818	A810-E814 WeakPolarHBondContact O-CG 3.22Å; A810-E814 PolarHBondContact O-N 3.16Å; T811-E814 PolarHBondContact O-N 3Å; E814-T816 VanDerWaalsContact C-N 3.3Å; E814-T816 PolarHBondContact O-N 3.06Å; E814-E817 WeakPolarHBondContact O-CA 3.46Å; E814-E817 PolarHBondContact O-N 3.35Å; E814-F818 HydrophobicContact CB-CD2 4.5Å; E814-F818 HydrophobicContact CB-CE2 4.28Å; E814-F818 WeakPolarHBondContact O-CD2 3.28Å; E814-F818 PolarHBondContact O-N 2.72Å
815	E	86	Confident	81.2	Confident	47 Å²	47	52.3 Å²	52.3	22%	0.22	28%	0.28	C	S	.	.	H	α-helix	trans	-61.9	-36.6	178.2	-66.4	-63.7	145.8	0	0	112.2	T811 E817 F818 L819 N833 V834 A837	T811-E815 PolarHBondContact O-N 3.14Å; T811-E815 VanDerWaalsContact O-N 3.11Å; E815-E817 VanDerWaalsContact C-N 3.25Å; E815-E817 PolarHBondContact O-N 3.4Å; E815-F818 PolarHBondContact O-N 2.84Å; E815-L819 WeakPolarHBondContact O-CG 3.44Å; E815-L819 PolarHBondContact O-N 2.94Å; E815-N833 HydrophobicContact CG-CB 4.25Å; E815-N833 WeakPolarHBondContact OE2-CB 3.27Å; E815-N833 PolarHBondContact OE2-ND2 3.41Å; E815-V834 HydrophobicContact CB-CG2 4.31Å; E815-A837 HydrophobicContact CB-CB 4.42Å; E815-A837 HydrophobicContact CG-CB 4.03Å
816	T	81.2	Confident	80.6	Confident	3 Å²	3	56.9 Å²	56.9	2%	0.018	30%	0.297	C	S	.	.	H	α-helix	trans	-66	-26.7	174	-57.9	0	0	0	0	112.6	L792 R796 M802 L812 C813 E814 I822	L792-T816 HydrophobicContact CB-CG2 4.3Å; L792-T816 HydrophobicContact CD2-CG2 4.31Å; L792-T816 VanDerWaalsContact CD2-OG1 3.27Å; L792-T816 WeakPolarHBondContact CD2-OG1 3.28Å; R796-T816 HydrophobicContact CB-CG2 3.96Å; M802-T816 HydrophobicContact CE-CG2 3.87Å; L812-T816 WeakPolarHBondContact O-CB 3.39Å; L812-T816 PolarHBondContact O-N 2.9Å; L812-T816 PolarHBondContact O-OG1 3.06Å; C813-T816 PolarHBondContact O-N 2.81Å; E814-T816 VanDerWaalsContact C-N 3.3Å; E814-T816 PolarHBondContact O-N 3.06Å; T816-I822 HydrophobicContact CG2-CD1 4.29Å
817	E	81.4	Confident	80.4	Confident	69 Å²	69	52.9 Å²	52.9	32%	0.322	28%	0.282	S	S	.	.	H	α-helix	trans	-80.9	-35.5	174.2	-69.3	-178.1	162.9	0	0	112.4	R796 M802 R806 C813 E814 E815	R796-E817 PolarHBondContact NH2-O 2.85Å; M802-E817 HydrophobicContact CE-CG 3.43Å; M802-E817 VanDerWaalsContact CE-CG 3.43Å; R806-E817 IonicContact CZ-OE1 3.19Å; R806-E817 IonicContact NH2-OE1 3.53Å; R806-E817 PolarHBondContact NH2-OE1 2.79Å; R806-E817 IonicContact NH2-OE2 2.68Å; C813-E817 WeakPolarHBondContact O-CG 3.25Å; C813-E817 PolarHBondContact O-N 3.07Å; E814-E817 WeakPolarHBondContact O-CA 3.46Å; E814-E817 PolarHBondContact O-N 3.35Å; E815-E817 VanDerWaalsContact C-N 3.25Å; E815-E817 PolarHBondContact O-N 3.4Å
818	F	78.1	Confident	80.3	Confident	159 Å²	159	48.1 Å²	48.1	70%	0.697	25%	0.249	S	C	*	.	H	α-helix	trans	-70.8	-31	175.1	-72.6	-60.9	0	0	0	114.1	E814 E815 G820	E814-F818 HydrophobicContact CB-CD2 4.5Å; E814-F818 HydrophobicContact CB-CE2 4.28Å; E814-F818 WeakPolarHBondContact O-CD2 3.28Å; E814-F818 PolarHBondContact O-N 2.72Å; E815-F818 PolarHBondContact O-N 2.84Å; F818-G820 PolarHBondContact O-N 2.71Å
819	L	69.6	Low	80.5	Confident	30 Å²	30	44.4 Å²	44.4	16%	0.157	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-12.6	178.4	-87.9	174.6	0	0	0	116	L792 E815 D821 V825 I828 E831 V834	L792-L819 HydrophobicContact CD1-CD1 3.85Å; E815-L819 WeakPolarHBondContact O-CG 3.44Å; E815-L819 PolarHBondContact O-N 2.94Å; L819-D821 PolarHBondContact O-N 2.87Å; L819-V825 HydrophobicContact CD2-CG2 4.13Å; L819-I828 HydrophobicContact CD1-CD1 3.96Å; L819-I828 HydrophobicContact CD2-CD1 4.25Å; L819-E831 HydrophobicContact CD2-CB 4.44Å; L819-E831 HydrophobicContact CD2-CG 3.9Å; L819-V834 HydrophobicContact CD1-CG1 4.13Å; L819-V834 HydrophobicContact CD1-CG2 3.65Å; L819-V834 HydrophobicContact CD2-CG2 3.93Å; L819-V834 HydrophobicContact CG-CG2 3.85Å
820	G	71.9	Confident	80.2	Confident	39 Å²	39	44.4 Å²	44.4	40%	0.402	23%	0.226	S	C	.	.			trans	75.2	-120.5	-178.6	0	0	0	0	0	112.5	R796 F818	R796-G820 PolarHBondContact NE-O 3.32Å; R796-G820 PolarHBondContact NH2-O 2.85Å; F818-G820 PolarHBondContact O-N 2.71Å
821	D	72.4	Confident	80.2	Confident	58 Å²	58	44.2 Å²	44.2	31%	0.31	22%	0.219	S	C	.	.			trans	-101.2	108.8	171	-173.5	-16.7	0	0	0	110.1	Y797 L819 R823 A824	Y797-D821 PolarHBondContact OH-OD1 2.95Å; L819-D821 PolarHBondContact O-N 2.87Å; D821-R823 PolarHBondContact O-N 3.33Å; D821-R823 VanDerWaalsContact OD1-CB 3.26Å; D821-R823 WeakPolarHBondContact OD1-CB 3.23Å; D821-R823 WeakPolarHBondContact OD1-CG 3.37Å; D821-R823 IonicContact OD1-CZ 3.19Å; D821-R823 PolarHBondContact OD1-N 2.96Å; D821-R823 IonicContact OD1-NE 2.69Å; D821-R823 PolarHBondContact OD1-NE 3.29Å; D821-R823 IonicContact OD1-NH2 3.89Å; D821-R823 IonicContact OD2-CZ 3.93Å; D821-R823 IonicContact OD2-NE 3.53Å; D821-R823 PolarHBondContact OD2-NE 2.83Å; D821-R823 VanDerWaalsContact OD2-NE 3.13Å; D821-R823 IonicContact OD2-NH2 2.76Å; D821-R823 PolarHBondContact OD2-NH2 2.59Å; D821-A824 PolarHBondContact O-N 3.49Å
822	I	80.4	Confident	80.2	Confident	1 Å²	1	44.8 Å²	44.8	1%	0.005	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.6	-24.6	179.6	-62.7	153.9	0	0	0	112.9	K789 L792 R796 T816 I828	K789-I822 HydrophobicContact CB-CG2 4.32Å; K789-I822 WeakPolarHBondContact CE-O 3.48Å; K789-I822 HydrophobicContact CG-CG2 4.03Å; L792-I822 HydrophobicContact CB-CD1 3.62Å; L792-I822 HydrophobicContact CB-CG1 4.18Å; L792-I822 HydrophobicContact CB-CG2 4.29Å; R796-I822 HydrophobicContact CB-CD1 3.5Å; R796-I822 HydrophobicContact CG-CD1 3.69Å; T816-I822 HydrophobicContact CG2-CD1 4.29Å; I822-I828 HydrophobicContact CG2-CD1 4.23Å; I822-I828 HydrophobicContact CG2-CG1 4.45Å
823	R	72.7	Confident	80.2	Confident	159 Å²	159	49.3 Å²	49.3	60%	0.6	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-25.9	-179.9	-57.9	171.7	-64.5	-174.7	4.2	113	Y797 D821	Y797-R823 PolarHBondContact OH-NE 2.92Å; D821-R823 PolarHBondContact O-N 3.33Å; D821-R823 VanDerWaalsContact OD1-CB 3.26Å; D821-R823 WeakPolarHBondContact OD1-CB 3.23Å; D821-R823 WeakPolarHBondContact OD1-CG 3.37Å; D821-R823 IonicContact OD1-CZ 3.19Å; D821-R823 PolarHBondContact OD1-N 2.96Å; D821-R823 IonicContact OD1-NE 2.69Å; D821-R823 PolarHBondContact OD1-NE 3.29Å; D821-R823 IonicContact OD1-NH2 3.89Å; D821-R823 IonicContact OD2-CZ 3.93Å; D821-R823 IonicContact OD2-NE 3.53Å; D821-R823 PolarHBondContact OD2-NE 2.83Å; D821-R823 VanDerWaalsContact OD2-NE 3.13Å; D821-R823 IonicContact OD2-NH2 2.76Å; D821-R823 PolarHBondContact OD2-NH2 2.59Å
824	A	66.1	Low	80.4	Confident	53 Å²	53	49.6 Å²	49.6	44%	0.438	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.7	-4.6	176.7	0	0	0	0	0	112.9	D668 D821 R826	D668-A824 WeakPolarHBondContact OD2-CA 3.35Å; D821-A824 PolarHBondContact O-N 3.49Å; A824-R826 PolarHBondContact O-N 2.87Å
825	V	74.3	Confident	80.7	Confident	18 Å²	18	44.7 Å²	44.7	11%	0.109	22%	0.222	C	C	.	.			trans	-79.2	115.3	172	-175.4	0	0	0	0	108.4	K789 L819 W827 I828 E831	K789-V825 WeakPolarHBondContact CE-O 3.35Å; K789-V825 PolarHBondContact NZ-O 2.89Å; L819-V825 HydrophobicContact CD2-CG2 4.13Å; V825-W827 PolarHBondContact O-N 2.8Å; V825-I828 HydrophobicContact CB-CD1 3.85Å; V825-I828 HydrophobicContact CG1-CD1 3.7Å; V825-I828 HydrophobicContact CG1-CG1 4.36Å; V825-I828 HydrophobicContact CG2-CD1 4.26Å; V825-E831 HydrophobicContact CG1-CG 3.97Å
826	R	73.9	Confident	81	Confident	98 Å²	98	45 Å²	45	37%	0.37	23%	0.225	S	C	.	.	S	Bend	trans	-55.4	-53.9	-175.7	-166	-169.8	-169.7	119	-22.9	112.4	A734 N735 D771 K789 A824	A734-R826 VanDerWaalsContact O-CZ 3.25Å; A734-R826 PolarHBondContact O-NH1 2.89Å; A734-R826 PolarHBondContact O-NH2 3.31Å; N735-R826 PolarHBondContact OD1-NH1 2.95Å; D771-R826 IonicContact OD1-CZ 2.78Å; D771-R826 IonicContact OD1-NE 2.7Å; D771-R826 PolarHBondContact OD1-NE 2.94Å; D771-R826 IonicContact OD1-NH2 2.77Å; D771-R826 IonicContact OD2-CZ 3.39Å; D771-R826 VanDerWaalsContact OD2-CZ 3.23Å; D771-R826 IonicContact OD2-NE 3.02Å; D771-R826 PolarHBondContact OD2-NE 2.9Å; D771-R826 IonicContact OD2-NH2 3.47Å; D771-R826 PolarHBondContact OD2-NH2 2.59Å; K789-R826 PolarHBondContact NZ-O 3.41Å; A824-R826 PolarHBondContact O-N 2.87Å
827	W	82.3	Confident	81.4	Confident	21 Å²	21	45 Å²	45	8%	0.08	23%	0.225	C	C	.	.			trans	-135.5	110	177.6	-72.2	100.3	0	0	0	110.6	L767 L770 D771 E785 V825 I829 G830	L767-W827 HydrophobicContact CD2-CB 4.03Å; L770-W827 HydrophobicContact CB-CD2 3.93Å; L770-W827 HydrophobicContact CB-CE3 4.44Å; L770-W827 HydrophobicContact CB-CG 4.11Å; L770-W827 HydrophobicContact CB-CZ2 4.43Å; L770-W827 HydrophobicContact CD1-CB 3.97Å; L770-W827 HydrophobicContact CD1-CD2 4.32Å; L770-W827 HydrophobicContact CD1-CG 4.03Å; D771-W827 PolarHBondContact OD1-NE1 3.25Å; E785-W827 HydrophobicContact CB-CE3 3.92Å; E785-W827 HydrophobicContact CB-CZ3 3.68Å; E785-W827 HydrophobicContact CG-CE3 3.62Å; E785-W827 HydrophobicContact CG-CZ3 3.72Å; E785-W827 WeakPolarHBondContact OE1-CA 3.42Å; V825-W827 PolarHBondContact O-N 2.8Å; W827-I829 HydrophobicContact CE3-CD1 4.33Å; W827-I829 HydrophobicContact CZ3-CD1 4.39Å; W827-I829 PolarHBondContact O-N 2.71Å; W827-G830 PolarHBondContact O-N 2.88Å
828	I	84.7	Confident	82	Confident	0 Å²	0	42 Å²	42	0%	0	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-64.5	-31.2	169.3	-66.6	-66.5	0	0	0	110.7	E785 L788 K789 L792 L819 I822 V825 G830 E831 V834	E785-I828 VanDerWaalsContact CD-N 3.27Å; E785-I828 PolarHBondContact OE1-N 2.89Å; E785-I828 PolarHBondContact OE2-N 3.37Å; L788-I828 HydrophobicContact CB-CB 4.44Å; L788-I828 HydrophobicContact CB-CG2 3.83Å; L788-I828 HydrophobicContact CD1-CG2 4.38Å; K789-I828 HydrophobicContact CD-CG1 4.45Å; K789-I828 HydrophobicContact CG-CB 4.41Å; K789-I828 HydrophobicContact CG-CG1 3.57Å; L792-I828 HydrophobicContact CD1-CB 4.49Å; L792-I828 HydrophobicContact CD1-CD1 3.77Å; L792-I828 HydrophobicContact CD1-CG1 4.11Å; L792-I828 HydrophobicContact CD1-CG2 3.55Å; L819-I828 HydrophobicContact CD1-CD1 3.96Å; L819-I828 HydrophobicContact CD2-CD1 4.25Å; I822-I828 HydrophobicContact CG2-CD1 4.23Å; I822-I828 HydrophobicContact CG2-CG1 4.45Å; V825-I828 HydrophobicContact CB-CD1 3.85Å; V825-I828 HydrophobicContact CG1-CD1 3.7Å; V825-I828 HydrophobicContact CG1-CG1 4.36Å; V825-I828 HydrophobicContact CG2-CD1 4.26Å; I828-G830 PolarHBondContact O-N 2.85Å; I828-E831 WeakPolarHBondContact O-CB 3.27Å; I828-E831 PolarHBondContact O-N 3.46Å; I828-V834 HydrophobicContact CG2-CG1 4.41Å
829	I	87.7	Confident	82.6	Confident	1 Å²	1	36 Å²	36	1%	0.005	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-55.4	-31.2	169.7	-69	172.3	0	0	0	111.8	L770 L784 E785 L788 W827 E831 L835 L884 I888	L770-I829 HydrophobicContact CD1-CB 4.29Å; L770-I829 HydrophobicContact CD1-CG2 3.94Å; L770-I829 HydrophobicContact CD2-CG2 3.74Å; L784-I829 HydrophobicContact CB-CD1 4.07Å; L784-I829 HydrophobicContact CD2-CD1 3.82Å; L784-I829 HydrophobicContact CD2-CG1 4.2Å; L784-I829 HydrophobicContact CG-CD1 3.75Å; L784-I829 HydrophobicContact CG-CG1 4.07Å; E785-I829 HydrophobicContact CB-CD1 3.83Å; E785-I829 HydrophobicContact CB-CG1 4.35Å; E785-I829 WeakPolarHBondContact OE2-CG1 3.46Å; E785-I829 PolarHBondContact OE2-N 3.3Å; L788-I829 HydrophobicContact CD1-CG1 3.83Å; W827-I829 HydrophobicContact CE3-CD1 4.33Å; W827-I829 HydrophobicContact CZ3-CD1 4.39Å; W827-I829 PolarHBondContact O-N 2.71Å; I829-E831 VanDerWaalsContact C-N 3.28Å; I829-E831 PolarHBondContact O-N 2.88Å; I829-L835 VanDerWaalsContact O-CD1 3.3Å; I829-L835 WeakPolarHBondContact O-CD1 3.39Å; I829-L884 HydrophobicContact CG2-CD1 3.84Å; I829-I888 HydrophobicContact CG2-CD1 4.33Å; I829-I888 WeakPolarHBondContact O-CD1 3.32Å
830	G	84.1	Confident	83.6	Confident	1 Å²	1	39.5 Å²	39.5	1%	0.01	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-77.8	-5.9	177	0	0	0	0	0	114.9	R764 H766 W827 I828 Q832	R764-G830 PolarHBondContact NH1-O 3.22Å; R764-G830 VanDerWaalsContact NH1-O 3.09Å; H766-G830 PolarHBondContact NE2-O 2.96Å; W827-G830 PolarHBondContact O-N 2.88Å; I828-G830 PolarHBondContact O-N 2.85Å; G830-Q832 PolarHBondContact O-N 3.04Å
831	E	87.6	Confident	84.6	Confident	36 Å²	36	38.1 Å²	38.1	17%	0.168	18%	0.184	C	C	.	.			trans	-93	80.4	-176.1	-55.7	-60.5	161.6	0	0	110.5	R764 L819 V825 I828 I829 N833 V834 L835	R764-E831 IonicContact CZ-OE1 3.67Å; R764-E831 IonicContact CZ-OE2 2.62Å; R764-E831 IonicContact NH1-OE1 2.69Å; R764-E831 PolarHBondContact NH1-OE1 2.85Å; R764-E831 IonicContact NH1-OE2 3.15Å; R764-E831 PolarHBondContact NH1-OE2 2.91Å; R764-E831 IonicContact NH2-OE1 3.17Å; R764-E831 PolarHBondContact NH2-OE1 3.45Å; R764-E831 IonicContact NH2-OE2 3.07Å; L819-E831 HydrophobicContact CD2-CB 4.44Å; L819-E831 HydrophobicContact CD2-CG 3.9Å; V825-E831 HydrophobicContact CG1-CG 3.97Å; I828-E831 WeakPolarHBondContact O-CB 3.27Å; I828-E831 PolarHBondContact O-N 3.46Å; I829-E831 VanDerWaalsContact C-N 3.28Å; I829-E831 PolarHBondContact O-N 2.88Å; E831-N833 PolarHBondContact O-N 3.26Å; E831-N833 VanDerWaalsContact O-N 3.13Å; E831-V834 HydrophobicContact CB-CB 3.97Å; E831-V834 HydrophobicContact CB-CG2 3.59Å; E831-V834 HydrophobicContact CG-CG2 4.5Å; E831-V834 WeakPolarHBondContact O-CB 3.28Å; E831-V834 PolarHBondContact O-N 2.96Å; E831-L835 PolarHBondContact O-N 3.33Å; E831-L835 VanDerWaalsContact O-N 3.15Å
832	Q	88.5	Confident	85.5	Confident	41 Å²	41	35.6 Å²	35.6	19%	0.192	17%	0.17	C	C	.	.	H	α-helix	trans	-50.9	-39.3	-175.5	179.8	168.1	14.8	0	0	113.5	G830 V834 L835 N836 L885 I888 Y929	G830-Q832 PolarHBondContact O-N 3.04Å; Q832-V834 VanDerWaalsContact C-N 3.32Å; Q832-V834 PolarHBondContact O-N 2.98Å; Q832-L835 PolarHBondContact O-N 2.98Å; Q832-N836 WeakPolarHBondContact O-CB 3.48Å; Q832-N836 VanDerWaalsContact O-CG 3.23Å; Q832-N836 PolarHBondContact O-N 3.08Å; Q832-N836 PolarHBondContact O-ND2 3.07Å; Q832-L885 HydrophobicContact CB-CD2 4.4Å; Q832-L885 HydrophobicContact CG-CD2 3.76Å; Q832-I888 HydrophobicContact CB-CG2 4.31Å; Q832-Y929 PolarHBondContact NE2-OH 3.5Å
833	N	88.7	Confident	86	Confident	98 Å²	98	38.8 Å²	38.8	52%	0.524	19%	0.187	S	C	.	.	H	α-helix	trans	-59.2	-42.5	175.8	-66.6	10.9	0	0	0	112.5	E815 E831 N836 A837	E815-N833 HydrophobicContact CG-CB 4.25Å; E815-N833 WeakPolarHBondContact OE2-CB 3.27Å; E815-N833 PolarHBondContact OE2-ND2 3.41Å; E831-N833 PolarHBondContact O-N 3.26Å; E831-N833 VanDerWaalsContact O-N 3.13Å; N833-N836 PolarHBondContact O-N 2.68Å; N833-A837 VanDerWaalsContact O-CB 3.29Å; N833-A837 WeakPolarHBondContact O-CB 3.35Å; N833-A837 PolarHBondContact O-N 3.11Å
834	V	90.6	Very high	87	Confident	5 Å²	5	33.8 Å²	33.8	3%	0.03	17%	0.17	C	C	.	.	H	α-helix	trans	-71.4	-40.3	-174.9	-176.6	0	0	0	0	110.3	L792 L812 E815 L819 I828 E831 Q832 A837 L838	L792-V834 HydrophobicContact CD1-CG1 3.91Å; L792-V834 HydrophobicContact CD2-CG1 3.94Å; L812-V834 HydrophobicContact CD1-CG1 4.36Å; E815-V834 HydrophobicContact CB-CG2 4.31Å; L819-V834 HydrophobicContact CD1-CG1 4.13Å; L819-V834 HydrophobicContact CD1-CG2 3.65Å; L819-V834 HydrophobicContact CD2-CG2 3.93Å; L819-V834 HydrophobicContact CG-CG2 3.85Å; I828-V834 HydrophobicContact CG2-CG1 4.41Å; E831-V834 HydrophobicContact CB-CB 3.97Å; E831-V834 HydrophobicContact CB-CG2 3.59Å; E831-V834 HydrophobicContact CG-CG2 4.5Å; E831-V834 WeakPolarHBondContact O-CB 3.28Å; E831-V834 PolarHBondContact O-N 2.96Å; Q832-V834 VanDerWaalsContact C-N 3.32Å; Q832-V834 PolarHBondContact O-N 2.98Å; V834-A837 PolarHBondContact O-N 3.14Å; V834-L838 WeakPolarHBondContact O-CB 3.49Å; V834-L838 PolarHBondContact O-N 2.91Å
835	L	92.3	Very high	88.3	Confident	2 Å²	2	31.3 Å²	31.3	1%	0.01	15%	0.15	C	C	.	.	H	α-helix	trans	-65.1	-44.2	172.7	-64.1	-174.3	0	0	0	111.6	L788 I829 E831 Q832 A837 L838 I839 I881 L885 I888	L788-L835 HydrophobicContact CD1-CD2 3.88Å; L788-L835 HydrophobicContact CD2-CD2 4.41Å; I829-L835 VanDerWaalsContact O-CD1 3.3Å; I829-L835 WeakPolarHBondContact O-CD1 3.39Å; E831-L835 PolarHBondContact O-N 3.33Å; E831-L835 VanDerWaalsContact O-N 3.15Å; Q832-L835 PolarHBondContact O-N 2.98Å; L835-A837 PolarHBondContact O-N 3.33Å; L835-L838 PolarHBondContact O-N 2.87Å; L835-I839 WeakPolarHBondContact O-CG1 3.09Å; L835-I839 PolarHBondContact O-N 2.77Å; L835-I881 HydrophobicContact CB-CG2 4.29Å; L835-I881 HydrophobicContact CD1-CG2 4.32Å; L835-I881 HydrophobicContact CD2-CG2 4.09Å; L835-I881 HydrophobicContact CG-CG2 4.47Å; L835-L885 HydrophobicContact CB-CD1 4.21Å; L835-L885 HydrophobicContact CB-CD2 3.95Å; L835-L885 HydrophobicContact CB-CG 4.27Å; L835-L885 HydrophobicContact CD1-CD2 4.06Å; L835-L885 HydrophobicContact CD1-CG 4.14Å; L835-I888 HydrophobicContact CD1-CD1 4.37Å
836	N	91.9	Very high	89.2	Confident	52 Å²	52	30.4 Å²	30.4	28%	0.278	14%	0.144	S	C	.	.	H	α-helix	trans	-61.9	-41	174.7	-74.4	-23.7	0	0	0	112	Q832 N833 I839 K840 Y929	Q832-N836 WeakPolarHBondContact O-CB 3.48Å; Q832-N836 VanDerWaalsContact O-CG 3.23Å; Q832-N836 PolarHBondContact O-N 3.08Å; Q832-N836 PolarHBondContact O-ND2 3.07Å; N833-N836 PolarHBondContact O-N 2.68Å; N836-I839 PolarHBondContact O-N 3.35Å; N836-K840 VanDerWaalsContact O-CB 3.31Å; N836-K840 WeakPolarHBondContact O-CB 3.39Å; N836-K840 PolarHBondContact O-N 3.19Å; N836-Y929 PolarHBondContact OD1-OH 3.26Å
837	A	91.3	Very high	90	Very high	3 Å²	3	28.4 Å²	28.4	3%	0.025	15%	0.148	C	C	.	.	H	α-helix	trans	-67.6	-38.8	177	0	0	0	0	0	112.3	T811 L812 E815 N833 V834 L835 K840 D841	T811-A837 HydrophobicContact CG2-CB 3.92Å; L812-A837 HydrophobicContact CB-CB 4.44Å; L812-A837 HydrophobicContact CD1-CB 4.29Å; E815-A837 HydrophobicContact CB-CB 4.42Å; E815-A837 HydrophobicContact CG-CB 4.03Å; N833-A837 VanDerWaalsContact O-CB 3.29Å; N833-A837 WeakPolarHBondContact O-CB 3.35Å; N833-A837 PolarHBondContact O-N 3.11Å; V834-A837 PolarHBondContact O-N 3.14Å; L835-A837 PolarHBondContact O-N 3.33Å; A837-K840 PolarHBondContact O-N 3.25Å; A837-D841 PolarHBondContact O-N 3.19Å
838	L	92.8	Very high	90.5	Very high	7 Å²	7	28.1 Å²	28.1	4%	0.037	15%	0.148	C	C	.	.	H	α-helix	trans	-66.2	-36.6	173.8	177.1	61	0	0	0	112.4	L788 L791 L812 V834 L835 Y842 V845 L872 I881	L788-L838 HydrophobicContact CD2-CD2 3.46Å; L788-L838 VanDerWaalsContact CD2-CD2 3.46Å; L791-L838 HydrophobicContact CD2-CD1 3.73Å; L791-L838 HydrophobicContact CD2-CD2 4.1Å; L812-L838 HydrophobicContact CD1-CB 4.14Å; L812-L838 HydrophobicContact CD2-CD1 3.88Å; V834-L838 WeakPolarHBondContact O-CB 3.49Å; V834-L838 PolarHBondContact O-N 2.91Å; L835-L838 PolarHBondContact O-N 2.87Å; L838-Y842 VanDerWaalsContact O-CA 3.25Å; L838-Y842 WeakPolarHBondContact O-CA 3.37Å; L838-Y842 VanDerWaalsContact O-CB 3.3Å; L838-Y842 WeakPolarHBondContact O-CB 3.42Å; L838-Y842 PolarHBondContact O-N 3.3Å; L838-V845 HydrophobicContact CD1-CG1 4.4Å; L838-L872 HydrophobicContact CD1-CD2 4.3Å; L838-L872 HydrophobicContact CD2-CD2 4.39Å; L838-I881 HydrophobicContact CD2-CD1 4.48Å
839	I	91.1	Very high	90.9	Very high	33 Å²	33	28.1 Å²	28.1	17%	0.169	15%	0.148	C	C	.	.	H	α-helix	trans	-66.5	-48.5	173.4	-77.1	167.5	0	0	0	110.7	L835 N836 Y842 I881 Y882 L885	L835-I839 WeakPolarHBondContact O-CG1 3.09Å; L835-I839 PolarHBondContact O-N 2.77Å; N836-I839 PolarHBondContact O-N 3.35Å; I839-Y842 WeakPolarHBondContact O-CB 3.13Å; I839-Y842 PolarHBondContact O-N 3.27Å; I839-I881 HydrophobicContact CD1-CG2 4.14Å; I839-Y882 HydrophobicContact CD1-CD1 4.09Å; I839-Y882 HydrophobicContact CD1-CD2 4.23Å; I839-Y882 HydrophobicContact CD1-CE1 3.88Å; I839-Y882 HydrophobicContact CD1-CE2 3.99Å; I839-Y882 HydrophobicContact CD1-CG 4.3Å; I839-Y882 HydrophobicContact CG1-CE2 4.02Å; I839-Y882 HydrophobicContact CG2-CE1 4.26Å; I839-Y882 VanDerWaalsContact CG2-OH 3.28Å; I839-Y882 WeakPolarHBondContact CG2-OH 3.48Å; I839-L885 HydrophobicContact CD1-CD1 3.38Å
840	K	90.6	Very high	91.1	Very high	103 Å²	103	32.2 Å²	32.2	45%	0.448	17%	0.166	S	C	.	.	H	α-helix	trans	-61.2	-47	-177.3	-179.1	-169.9	162.6	-164	0	112.2	T811 N836 A837 Y842	T811-K840 HydrophobicContact CG2-CD 4.04Å; T811-K840 WeakPolarHBondContact OG1-CD 3.29Å; T811-K840 VanDerWaalsContact OG1-CE 3.25Å; T811-K840 WeakPolarHBondContact OG1-CE 3.42Å; T811-K840 PolarHBondContact OG1-NZ 2.73Å; N836-K840 VanDerWaalsContact O-CB 3.31Å; N836-K840 WeakPolarHBondContact O-CB 3.39Å; N836-K840 PolarHBondContact O-N 3.19Å; A837-K840 PolarHBondContact O-N 3.25Å; K840-Y842 VanDerWaalsContact C-N 3.33Å
841	D	93.1	Very high	91.4	Very high	11 Å²	11	37.8 Å²	37.8	6%	0.059	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.8	19.7	-176.5	-54.7	0.7	0	0	0	112.1	A809 A810 T811 L812 A837 L843 E844 V845	A809-D841 VanDerWaalsContact CA-OD2 3.29Å; A809-D841 WeakPolarHBondContact CA-OD2 3.34Å; A809-D841 HydrophobicContact CB-CB 3.53Å; A810-D841 PolarHBondContact N-OD2 3.45Å; T811-D841 VanDerWaalsContact CA-OD2 3.31Å; T811-D841 WeakPolarHBondContact CA-OD2 3.49Å; T811-D841 WeakPolarHBondContact CB-OD1 3.19Å; T811-D841 WeakPolarHBondContact CB-OD2 3.25Å; T811-D841 PolarHBondContact N-OD2 3.49Å; T811-D841 VanDerWaalsContact OG1-CG 3.27Å; T811-D841 PolarHBondContact OG1-OD1 3.32Å; T811-D841 PolarHBondContact OG1-OD2 2.74Å; T811-D841 VanDerWaalsContact OG1-OD2 3.1Å; L812-D841 PolarHBondContact N-OD2 2.9Å; A837-D841 PolarHBondContact O-N 3.19Å; D841-L843 VanDerWaalsContact C-N 3.34Å; D841-L843 PolarHBondContact O-N 3.38Å; D841-E844 PolarHBondContact O-N 3.27Å; D841-V845 HydrophobicContact CB-CG2 4.49Å; D841-V845 VanDerWaalsContact O-CG2 3.29Å; D841-V845 WeakPolarHBondContact O-CG2 3.48Å; D841-V845 PolarHBondContact O-N 3.21Å
842	Y	91.8	Very high	91.6	Very high	5 Å²	5	36.1 Å²	36.1	2%	0.02	18%	0.184	C	C	.	.	H	α-helix	trans	-58.6	-40.5	-170.3	170.5	-101.2	0	0	0	113.4	L838 I839 K840 E844 V846 L872 I878 F941 I944	L838-Y842 VanDerWaalsContact O-CA 3.25Å; L838-Y842 WeakPolarHBondContact O-CA 3.37Å; L838-Y842 VanDerWaalsContact O-CB 3.3Å; L838-Y842 WeakPolarHBondContact O-CB 3.42Å; L838-Y842 PolarHBondContact O-N 3.3Å; I839-Y842 WeakPolarHBondContact O-CB 3.13Å; I839-Y842 PolarHBondContact O-N 3.27Å; K840-Y842 VanDerWaalsContact C-N 3.33Å; Y842-E844 VanDerWaalsContact C-N 3.33Å; Y842-V846 HydrophobicContact CD2-CG2 4.18Å; Y842-V846 HydrophobicContact CE1-CG2 4.39Å; Y842-V846 HydrophobicContact CE2-CG2 3.8Å; Y842-V846 WeakPolarHBondContact O-CB 3.35Å; Y842-V846 VanDerWaalsContact O-CG2 3.28Å; Y842-V846 WeakPolarHBondContact O-CG2 3.47Å; Y842-V846 PolarHBondContact O-N 3.15Å; Y842-L872 HydrophobicContact CE2-CB 4.15Å; Y842-L872 HydrophobicContact CE2-CD2 4.48Å; Y842-L872 PolarHBondContact OH-O 2.82Å; Y842-I878 HydrophobicContact CE2-CD1 4.01Å; Y842-I878 HydrophobicContact CE2-CG1 4.41Å; Y842-F941 HydrophobicContact CD1-CD1 4.03Å; Y842-F941 AromaticContact CD1-CE1 3.67Å; Y842-F941 HydrophobicContact CD1-CE1 3.67Å; Y842-F941 HydrophobicContact CD2-CE1 4.42Å; Y842-F941 AromaticContact CE1-CD1 3.39Å; Y842-F941 HydrophobicContact CE1-CD1 3.39Å; Y842-F941 AromaticContact CE1-CE1 3.52Å; Y842-F941 HydrophobicContact CE1-CE1 3.52Å; Y842-F941 HydrophobicContact CE2-CD1 4.44Å; Y842-F941 HydrophobicContact CE2-CE1 4.31Å; Y842-F941 HydrophobicContact CG-CE1 4.13Å; Y842-F941 AromaticContact CZ-CD1 3.65Å; Y842-F941 AromaticContact CZ-CE1 3.88Å; Y842-I944 HydrophobicContact CD1-CD1 4.28Å; Y842-I944 HydrophobicContact CE1-CD1 3.52Å
843	L	90.7	Very high	91.7	Very high	68 Å²	68	35.8 Å²	35.8	36%	0.356	19%	0.186	S	C	.	.	H	α-helix	trans	-66.7	-39.5	-178.1	-75.6	-179.8	0	0	0	111.4	D841 V846 A847 N942 I944	D841-L843 VanDerWaalsContact C-N 3.34Å; D841-L843 PolarHBondContact O-N 3.38Å; L843-V846 PolarHBondContact O-N 3.35Å; L843-A847 VanDerWaalsContact O-CB 3.24Å; L843-A847 WeakPolarHBondContact O-CB 3.38Å; L843-A847 PolarHBondContact O-N 3.4Å; L843-N942 HydrophobicContact CD1-CB 4.31Å; L843-N942 HydrophobicContact CD2-CB 3.69Å; L843-N942 WeakPolarHBondContact CD2-O 3.39Å; L843-N942 HydrophobicContact CG-CB 4.11Å; L843-I944 HydrophobicContact CD2-CD1 3.61Å; L843-I944 HydrophobicContact CD2-CG1 4.44Å
844	E	93.1	Very high	91.6	Very high	54 Å²	54	35 Å²	35	25%	0.252	19%	0.188	S	C	.	.	H	α-helix	trans	-73.2	-44	-174.6	-67.6	56.5	-119.7	0	0	109.6	A809 D841 Y842 A847 H848	A809-E844 HydrophobicContact CB-CB 3.95Å; D841-E844 PolarHBondContact O-N 3.27Å; Y842-E844 VanDerWaalsContact C-N 3.33Å; E844-A847 PolarHBondContact O-N 3.08Å; E844-H848 WeakPolarHBondContact O-CB 3.29Å; E844-H848 PolarHBondContact O-N 3.28Å
845	V	93	Very high	91.3	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-61.1	-45.6	171.9	176	0	0	0	0	111	L791 L805 A809 L812 L838 D841 L849 L872	L791-V845 HydrophobicContact CD1-CG1 4.27Å; L805-V845 HydrophobicContact CD1-CG2 4.19Å; A809-V845 HydrophobicContact CB-CG2 3.84Å; L812-V845 HydrophobicContact CD2-CG2 3.54Å; L838-V845 HydrophobicContact CD1-CG1 4.4Å; D841-V845 HydrophobicContact CB-CG2 4.49Å; D841-V845 VanDerWaalsContact O-CG2 3.29Å; D841-V845 WeakPolarHBondContact O-CG2 3.48Å; D841-V845 PolarHBondContact O-N 3.21Å; V845-L849 HydrophobicContact CG1-CD1 3.96Å; V845-L849 WeakPolarHBondContact O-CB 3.32Å; V845-L849 VanDerWaalsContact O-CG 3.27Å; V845-L849 WeakPolarHBondContact O-CG 3.31Å; V845-L849 PolarHBondContact O-N 2.98Å; V845-L872 HydrophobicContact CG1-CD1 3.73Å
846	V	92.9	Very high	90.1	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-68.8	-36.8	178.6	167.5	0	0	0	0	112	Y842 L843 K850 L869 L872 I944	Y842-V846 HydrophobicContact CD2-CG2 4.18Å; Y842-V846 HydrophobicContact CE1-CG2 4.39Å; Y842-V846 HydrophobicContact CE2-CG2 3.8Å; Y842-V846 WeakPolarHBondContact O-CB 3.35Å; Y842-V846 VanDerWaalsContact O-CG2 3.28Å; Y842-V846 WeakPolarHBondContact O-CG2 3.47Å; Y842-V846 PolarHBondContact O-N 3.15Å; L843-V846 PolarHBondContact O-N 3.35Å; V846-K850 HydrophobicContact CG1-CD 4.18Å; V846-K850 VanDerWaalsContact CG1-CE 3.47Å; V846-K850 WeakPolarHBondContact O-CD 3.19Å; V846-K850 VanDerWaalsContact O-CG 3.25Å; V846-K850 WeakPolarHBondContact O-CG 3.3Å; V846-K850 PolarHBondContact O-N 2.99Å; V846-L869 HydrophobicContact CG1-CD1 3.8Å; V846-L872 HydrophobicContact CG2-CB 3.91Å; V846-L872 HydrophobicContact CG2-CD1 3.85Å; V846-I944 HydrophobicContact CB-CD1 4.08Å; V846-I944 HydrophobicContact CG1-CD1 3.64Å; V846-I944 HydrophobicContact CG1-CG1 4.32Å; V846-I944 HydrophobicContact CG2-CD1 4.4Å
847	A	91.9	Very high	89.1	Confident	55 Å²	55	50 Å²	50	46%	0.455	27%	0.266	S	S	.	.	H	α-helix	trans	-64.6	-46.9	175.1	0	0	0	0	0	111.3	L843 E844 K850 E851	L843-A847 VanDerWaalsContact O-CB 3.24Å; L843-A847 WeakPolarHBondContact O-CB 3.38Å; L843-A847 PolarHBondContact O-N 3.4Å; E844-A847 PolarHBondContact O-N 3.08Å; A847-K850 WeakPolarHBondContact O-CB 3.21Å; A847-K850 PolarHBondContact O-N 2.96Å; A847-E851 PolarHBondContact O-N 3.08Å
848	H	92.9	Very high	88.3	Confident	16 Å²	16	54.3 Å²	54.3	7%	0.074	28%	0.281	C	S	.	.	H	α-helix	trans	-65.1	-42	178.2	-175.2	-108.2	0	0	0	112.4	Y795 E804 L805 E844 K850 E851 V852	Y795-H848 AromaticContact CE1-CE1 3.65Å; Y795-H848 AromaticContact CE1-ND1 3.41Å; Y795-H848 WeakPolarHBondContact CE1-ND1 3.28Å; Y795-H848 AromaticContact CZ-ND1 3.66Å; Y795-H848 PolarHBondContact OH-ND1 2.71Å; E804-H848 WeakPolarHBondContact CB-NE2 3.49Å; E804-H848 IonicContact OE2-NE2 3.14Å; L805-H848 HydrophobicContact CD1-CB 4.27Å; E844-H848 WeakPolarHBondContact O-CB 3.29Å; E844-H848 PolarHBondContact O-N 3.28Å; H848-K850 VanDerWaalsContact C-N 3.33Å; H848-K850 PolarHBondContact O-N 3.36Å; H848-E851 PolarHBondContact O-N 3.34Å; H848-V852 WeakPolarHBondContact O-CG2 3.41Å; H848-V852 PolarHBondContact O-N 2.97Å
849	L	93.1	Very high	87.6	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-62.9	-36.6	174.2	-72.7	170.2	0	0	0	112.6	L791 F794 V845 S853 A865 L868 L869 L872	L791-L849 HydrophobicContact CD1-CD1 3.99Å; F794-L849 HydrophobicContact CD1-CD2 4.23Å; F794-L849 HydrophobicContact CE1-CD2 3.84Å; V845-L849 HydrophobicContact CG1-CD1 3.96Å; V845-L849 WeakPolarHBondContact O-CB 3.32Å; V845-L849 VanDerWaalsContact O-CG 3.27Å; V845-L849 WeakPolarHBondContact O-CG 3.31Å; V845-L849 PolarHBondContact O-N 2.98Å; L849-S853 WeakPolarHBondContact O-CB 3.14Å; L849-S853 PolarHBondContact O-N 3.41Å; L849-S853 PolarHBondContact O-OG 3.49Å; L849-A865 HydrophobicContact CD2-CB 4.01Å; L849-L868 HydrophobicContact CD1-CB 4.05Å; L849-L868 HydrophobicContact CD2-CB 4.13Å; L849-L868 HydrophobicContact CD2-CD1 4.29Å; L849-L869 HydrophobicContact CB-CB 4.25Å; L849-L872 HydrophobicContact CD1-CD1 3.71Å
850	K	91.6	Very high	87.2	Confident	86 Å²	86	61.1 Å²	61.1	37%	0.374	33%	0.328	S	S	.	.	H	α-helix	trans	-60.1	-49.1	171.4	-74.7	162.7	-176.5	167.8	0	110.9	V846 A847 H848 S853 S854 L869	V846-K850 HydrophobicContact CG1-CD 4.18Å; V846-K850 VanDerWaalsContact CG1-CE 3.47Å; V846-K850 WeakPolarHBondContact O-CD 3.19Å; V846-K850 VanDerWaalsContact O-CG 3.25Å; V846-K850 WeakPolarHBondContact O-CG 3.3Å; V846-K850 PolarHBondContact O-N 2.99Å; A847-K850 WeakPolarHBondContact O-CB 3.21Å; A847-K850 PolarHBondContact O-N 2.96Å; H848-K850 VanDerWaalsContact C-N 3.33Å; H848-K850 PolarHBondContact O-N 3.36Å; K850-S853 PolarHBondContact O-N 3.15Å; K850-S853 PolarHBondContact O-OG 3.14Å; K850-S854 PolarHBondContact O-N 2.94Å; K850-L869 HydrophobicContact CB-CD2 4.41Å; K850-L869 HydrophobicContact CG-CD1 3.82Å; K850-L869 HydrophobicContact CG-CD2 3.61Å; K850-L869 HydrophobicContact CG-CG 4.39Å
851	E	90.8	Very high	86.8	Confident	118 Å²	118	57.4 Å²	57.4	55%	0.551	32%	0.317	S	S	*	.	H	α-helix	trans	-57.8	-55.3	178.2	-170.5	-177.2	157	0	0	111.3	A847 H848 S853 S854 Q855	A847-E851 PolarHBondContact O-N 3.08Å; H848-E851 PolarHBondContact O-N 3.34Å; E851-S853 VanDerWaalsContact C-N 3.29Å; E851-S853 PolarHBondContact O-N 3.36Å; E851-S854 WeakPolarHBondContact O-CB 3.45Å; E851-S854 PolarHBondContact O-N 3.08Å; E851-S854 PolarHBondContact O-OG 3.39Å; E851-Q855 PolarHBondContact O-N 3.07Å
852	V	89.9	Confident	86.6	Confident	2 Å²	2	57.4 Å²	57.4	1%	0.012	32%	0.317	C	S	.	.	H	α-helix	trans	-62.6	-35.2	-178.8	-179.9	0	0	0	0	111.9	F794 L801 H848 S854 Q855 S862 A865	F794-V852 HydrophobicContact CZ-CG1 4.07Å; L801-V852 HydrophobicContact CD2-CG1 4.34Å; L801-V852 HydrophobicContact CD2-CG2 3.92Å; H848-V852 WeakPolarHBondContact O-CG2 3.41Å; H848-V852 PolarHBondContact O-N 2.97Å; V852-S854 PolarHBondContact O-N 3.46Å; V852-Q855 PolarHBondContact O-N 3.17Å; V852-S862 WeakPolarHBondContact O-CB 3.18Å; V852-S862 PolarHBondContact O-OG 3.06Å; V852-A865 HydrophobicContact CB-CB 4.11Å; V852-A865 HydrophobicContact CG1-CB 3.94Å
853	S	91.2	Very high	86.5	Confident	33 Å²	33	60 Å²	60	23%	0.231	34%	0.339	C	S	.	.	H	α-helix	trans	-65	-21.3	174.1	76.1	0	0	0	0	114.1	L849 K850 E851	L849-S853 WeakPolarHBondContact O-CB 3.14Å; L849-S853 PolarHBondContact O-N 3.41Å; L849-S853 PolarHBondContact O-OG 3.49Å; K850-S853 PolarHBondContact O-N 3.15Å; K850-S853 PolarHBondContact O-OG 3.14Å; E851-S853 VanDerWaalsContact C-N 3.29Å; E851-S853 PolarHBondContact O-N 3.36Å
854	S	86.5	Confident	86.5	Confident	82 Å²	82	58.2 Å²	58.2	57%	0.573	33%	0.33	S	S	*	.	H	α-helix	trans	-87.9	-13.5	176.8	77.5	0	0	0	0	114.2	K850 E851 V852 T856	K850-S854 PolarHBondContact O-N 2.94Å; E851-S854 WeakPolarHBondContact O-CB 3.45Å; E851-S854 PolarHBondContact O-N 3.08Å; E851-S854 PolarHBondContact O-OG 3.39Å; V852-S854 PolarHBondContact O-N 3.46Å; S854-T856 PolarHBondContact O-N 3.17Å
855	Q	84.8	Confident	86.4	Confident	51 Å²	51	55.7 Å²	55.7	24%	0.238	32%	0.318	C	S	.	.			trans	-75.9	89.2	-175.9	-67.6	178.1	15.5	0	0	112.3	E851 V852 Q857 R858 S862	E851-Q855 PolarHBondContact O-N 3.07Å; V852-Q855 PolarHBondContact O-N 3.17Å; Q855-Q857 PolarHBondContact O-N 3.42Å; Q855-R858 PolarHBondContact O-N 3.11Å; Q855-S862 PolarHBondContact O-OG 2.96Å
856	T	67.8	Low	86.3	Confident	135 Å²	135	59.4 Å²	59.4	83%	0.828	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-16.1	-177.3	54	0	0	0	0	116	S854 R858	S854-T856 PolarHBondContact O-N 3.17Å; T856-R858 VanDerWaalsContact C-N 3.31Å; T856-R858 PolarHBondContact O-N 3.35Å
857	Q	70.5	Confident	86.3	Confident	189 Å²	189	61.8 Å²	61.8	88%	0.883	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	-9.5	-179.9	-62.9	-176.9	-1.5	0	0	114.5	Q855	Q855-Q857 PolarHBondContact O-N 3.42Å
858	R	74.4	Confident	86.4	Confident	93 Å²	93	59.2 Å²	59.2	35%	0.351	34%	0.336	S	S	.	.			trans	-134.3	60.2	-176.1	-69.3	-178.4	164.1	-169.6	-7.8	112.1	R800 Q855 T856 D860 A861 S862	R800-R858 VanDerWaalsContact CZ-NH1 3.3Å; Q855-R858 PolarHBondContact O-N 3.11Å; T856-R858 VanDerWaalsContact C-N 3.31Å; T856-R858 PolarHBondContact O-N 3.35Å; R858-D860 VanDerWaalsContact C-N 3.29Å; R858-D860 PolarHBondContact O-N 3.25Å; R858-A861 HydrophobicContact CB-CB 4.14Å; R858-A861 PolarHBondContact O-N 3.18Å; R858-S862 PolarHBondContact O-N 3.47Å; R858-S862 PolarHBondContact O-OG 3.18Å
859	A	78.1	Confident	86.4	Confident	70 Å²	70	59 Å²	59	58%	0.579	34%	0.336	S	S	*	.	H	α-helix	trans	-41.5	-48.5	-172.1	0	0	0	0	0	114.8	A863	A859-A863 VanDerWaalsContact O-CB 3.26Å; A859-A863 WeakPolarHBondContact O-CB 3.47Å; A859-A863 PolarHBondContact O-N 3.16Å
860	D	81.9	Confident	86.4	Confident	112 Å²	112	63.7 Å²	63.7	60%	0.599	36%	0.357	S	S	*	.	H	α-helix	trans	-69	-44.1	-178.3	-50	-67.3	0	0	0	112.9	R858 A863 I864	R858-D860 VanDerWaalsContact C-N 3.29Å; R858-D860 PolarHBondContact O-N 3.25Å; D860-A863 PolarHBondContact O-N 3.14Å; D860-I864 WeakPolarHBondContact O-CG1 3.45Å; D860-I864 PolarHBondContact O-N 3.04Å
861	A	83.8	Confident	86.5	Confident	26 Å²	26	60 Å²	60	22%	0.215	34%	0.342	C	S	.	.	H	α-helix	trans	-67.5	-37.7	177.5	0	0	0	0	0	111.5	F794 R858 I864 A865	F794-A861 HydrophobicContact CE2-CB 4.32Å; R858-A861 HydrophobicContact CB-CB 4.14Å; R858-A861 PolarHBondContact O-N 3.18Å; A861-I864 PolarHBondContact O-N 3.07Å; A861-A865 VanDerWaalsContact O-CB 3.31Å; A861-A865 WeakPolarHBondContact O-CB 3.21Å; A861-A865 PolarHBondContact O-N 3.4Å
862	S	87.4	Confident	86.5	Confident	10 Å²	10	54.4 Å²	54.4	7%	0.07	32%	0.315	C	S	.	.	H	α-helix	trans	-70.7	-34.4	176	-59.8	0	0	0	0	112.3	V852 Q855 R858 A865 L866	V852-S862 WeakPolarHBondContact O-CB 3.18Å; V852-S862 PolarHBondContact O-OG 3.06Å; Q855-S862 PolarHBondContact O-OG 2.96Å; R858-S862 PolarHBondContact O-N 3.47Å; R858-S862 PolarHBondContact O-OG 3.18Å; S862-A865 PolarHBondContact O-N 3.19Å; S862-L866 VanDerWaalsContact O-CB 3.23Å; S862-L866 WeakPolarHBondContact O-CB 3.39Å; S862-L866 PolarHBondContact O-N 2.72Å
863	A	89.5	Confident	86.5	Confident	59 Å²	59	55.8 Å²	55.8	49%	0.488	32%	0.322	S	S	.	.	H	α-helix	trans	-66.7	-41.3	172	0	0	0	0	0	112	A859 D860 L866 A867	A859-A863 VanDerWaalsContact O-CB 3.26Å; A859-A863 WeakPolarHBondContact O-CB 3.47Å; A859-A863 PolarHBondContact O-N 3.16Å; D860-A863 PolarHBondContact O-N 3.14Å; A863-L866 PolarHBondContact O-N 3.17Å; A863-A867 PolarHBondContact O-N 2.98Å
864	I	90.4	Very high	86.5	Confident	32 Å²	32	55.1 Å²	55.1	16%	0.164	32%	0.316	C	S	.	.	H	α-helix	trans	-64.5	-47.4	172.9	-68.1	164.9	0	0	0	110.5	I304 F794 D860 A861 L866 A867 L868	I304-I864 HydrophobicContact CG2-CD1 4.44Å; F794-I864 HydrophobicContact CD2-CB 4.23Å; F794-I864 HydrophobicContact CD2-CG2 3.46Å; F794-I864 VanDerWaalsContact CD2-CG2 3.46Å; F794-I864 HydrophobicContact CE2-CB 4.12Å; F794-I864 HydrophobicContact CE2-CG2 3.81Å; F794-I864 HydrophobicContact CG-CG2 4.16Å; D860-I864 WeakPolarHBondContact O-CG1 3.45Å; D860-I864 PolarHBondContact O-N 3.04Å; A861-I864 PolarHBondContact O-N 3.07Å; I864-L866 VanDerWaalsContact C-N 3.28Å; I864-L866 PolarHBondContact O-N 3.05Å; I864-A867 PolarHBondContact O-N 3.47Å; I864-A867 VanDerWaalsContact O-N 3.11Å; I864-L868 HydrophobicContact CG2-CD1 3.84Å; I864-L868 HydrophobicContact CG2-CG 4.29Å; I864-L868 WeakPolarHBondContact O-CG 3.36Å; I864-L868 PolarHBondContact O-N 3.13Å
865	A	91.1	Very high	86.6	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-58.9	-39.5	177	0	0	0	0	0	112.1	F794 L849 V852 A861 S862 L868 L869	F794-A865 HydrophobicContact CE1-CB 4.33Å; F794-A865 HydrophobicContact CZ-CB 3.88Å; L849-A865 HydrophobicContact CD2-CB 4.01Å; V852-A865 HydrophobicContact CB-CB 4.11Å; V852-A865 HydrophobicContact CG1-CB 3.94Å; A861-A865 VanDerWaalsContact O-CB 3.31Å; A861-A865 WeakPolarHBondContact O-CB 3.21Å; A861-A865 PolarHBondContact O-N 3.4Å; S862-A865 PolarHBondContact O-N 3.19Å; A865-L868 PolarHBondContact O-N 3.03Å; A865-L869 WeakPolarHBondContact O-CB 3.07Å; A865-L869 PolarHBondContact O-N 3.02Å
866	L	92.4	Very high	86.8	Confident	79 Å²	79	50.9 Å²	50.9	41%	0.414	29%	0.286	S	S	.	.	H	α-helix	trans	-66.3	-36.9	175.7	-178.1	59.2	0	0	0	112.5	S862 A863 I864 Q870	S862-L866 VanDerWaalsContact O-CB 3.23Å; S862-L866 WeakPolarHBondContact O-CB 3.39Å; S862-L866 PolarHBondContact O-N 2.72Å; A863-L866 PolarHBondContact O-N 3.17Å; I864-L866 VanDerWaalsContact C-N 3.28Å; I864-L866 PolarHBondContact O-N 3.05Å; L866-Q870 VanDerWaalsContact O-CG 3.25Å; L866-Q870 WeakPolarHBondContact O-CG 3.5Å; L866-Q870 PolarHBondContact O-N 2.95Å
867	A	92.9	Very high	87.9	Confident	49 Å²	49	45.1 Å²	45.1	41%	0.405	25%	0.252	S	S	.	.	H	α-helix	trans	-68.6	-45.3	174.8	0	0	0	0	0	111.7	A863 I864 L869 Q870 F871	A863-A867 PolarHBondContact O-N 2.98Å; I864-A867 PolarHBondContact O-N 3.47Å; I864-A867 VanDerWaalsContact O-N 3.11Å; A867-L869 VanDerWaalsContact C-N 3.33Å; A867-L869 PolarHBondContact O-N 3.45Å; A867-Q870 WeakPolarHBondContact O-CB 3.49Å; A867-Q870 PolarHBondContact O-N 3.09Å; A867-Q870 VanDerWaalsContact O-N 3.11Å; A867-F871 PolarHBondContact O-N 3.21Å
868	L	93.9	Very high	88.8	Confident	1 Å²	1	36.4 Å²	36.4	1%	0.005	21%	0.211	C	C	.	.	H	α-helix	trans	-62.9	-38.4	175.6	-67.2	174	0	0	0	112.1	Q790 L791 F794 L849 I864 A865 F871 L872	Q790-L868 HydrophobicContact CB-CD2 4.13Å; Q790-L868 HydrophobicContact CG-CD2 4.07Å; L791-L868 HydrophobicContact CB-CD2 3.95Å; L791-L868 HydrophobicContact CD1-CB 4.36Å; L791-L868 HydrophobicContact CD1-CD1 4.09Å; L791-L868 HydrophobicContact CD1-CD2 4.44Å; F794-L868 HydrophobicContact CB-CD1 3.81Å; F794-L868 HydrophobicContact CD1-CD1 3.92Å; F794-L868 HydrophobicContact CD2-CD1 4.45Å; F794-L868 HydrophobicContact CG-CD1 3.83Å; L849-L868 HydrophobicContact CD1-CB 4.05Å; L849-L868 HydrophobicContact CD2-CB 4.13Å; L849-L868 HydrophobicContact CD2-CD1 4.29Å; I864-L868 HydrophobicContact CG2-CD1 3.84Å; I864-L868 HydrophobicContact CG2-CG 4.29Å; I864-L868 WeakPolarHBondContact O-CG 3.36Å; I864-L868 PolarHBondContact O-N 3.13Å; A865-L868 PolarHBondContact O-N 3.03Å; L868-F871 WeakPolarHBondContact O-CB 3.41Å; L868-F871 PolarHBondContact O-N 2.95Å; L868-L872 PolarHBondContact O-N 3.25Å
869	L	93.3	Very high	89.7	Confident	13 Å²	13	32 Å²	32	7%	0.068	20%	0.195	C	C	.	.	H	α-helix	trans	-64.3	-38.5	171.8	176.7	61.8	0	0	0	112.1	V846 L849 K850 A865 A867 M873	V846-L869 HydrophobicContact CG1-CD1 3.8Å; L849-L869 HydrophobicContact CB-CB 4.25Å; K850-L869 HydrophobicContact CB-CD2 4.41Å; K850-L869 HydrophobicContact CG-CD1 3.82Å; K850-L869 HydrophobicContact CG-CD2 3.61Å; K850-L869 HydrophobicContact CG-CG 4.39Å; A865-L869 WeakPolarHBondContact O-CB 3.07Å; A865-L869 PolarHBondContact O-N 3.02Å; A867-L869 VanDerWaalsContact C-N 3.33Å; A867-L869 PolarHBondContact O-N 3.45Å; L869-M873 HydrophobicContact CD1-CG 4.12Å; L869-M873 HydrophobicContact CD1-SD 3.92Å; L869-M873 HydrophobicContact CG-SD 4.07Å; L869-M873 WeakPolarHBondContact O-CB 3.19Å; L869-M873 WeakPolarHBondContact O-CG 3.45Å; L869-M873 PolarHBondContact O-N 3.36Å
870	Q	91.9	Very high	90.4	Very high	98 Å²	98	28.8 Å²	28.8	46%	0.458	17%	0.168	S	C	.	.	H	α-helix	trans	-65.6	-38.9	175	-76.2	175.4	47.3	0	0	112.2	L866 A867 M873 D874	L866-Q870 VanDerWaalsContact O-CG 3.25Å; L866-Q870 WeakPolarHBondContact O-CG 3.5Å; L866-Q870 PolarHBondContact O-N 2.95Å; A867-Q870 WeakPolarHBondContact O-CB 3.49Å; A867-Q870 PolarHBondContact O-N 3.09Å; A867-Q870 VanDerWaalsContact O-N 3.11Å; Q870-M873 PolarHBondContact O-N 3.33Å; Q870-D874 PolarHBondContact O-N 2.98Å
871	F	93.3	Very high	90.9	Very high	9 Å²	9	23.7 Å²	23.7	4%	0.039	14%	0.14	C	C	.	.	H	α-helix	trans	-62.3	-51.5	172.8	157.3	-112.4	0	0	0	112.2	L784 N787 L788 A867 L868 M873 D874	L784-F871 HydrophobicContact CD1-CE2 3.6Å; L784-F871 HydrophobicContact CD1-CZ 3.69Å; N787-F871 HydrophobicContact CB-CB 4.38Å; N787-F871 HydrophobicContact CB-CD1 3.82Å; N787-F871 HydrophobicContact CB-CD2 3.58Å; N787-F871 HydrophobicContact CB-CE1 3.91Å; N787-F871 HydrophobicContact CB-CE2 3.67Å; N787-F871 HydrophobicContact CB-CG 3.65Å; N787-F871 HydrophobicContact CB-CZ 3.84Å; N787-F871 VanDerWaalsContact ND2-CD2 3.33Å; N787-F871 WeakPolarHBondContact ND2-CD2 3.4Å; L788-F871 HydrophobicContact CD2-CE1 4.25Å; L788-F871 HydrophobicContact CD2-CZ 4.03Å; L788-F871 HydrophobicContact CG-CZ 4.07Å; A867-F871 PolarHBondContact O-N 3.21Å; L868-F871 WeakPolarHBondContact O-CB 3.41Å; L868-F871 PolarHBondContact O-N 2.95Å; F871-M873 PolarHBondContact O-N 3.23Å; F871-D874 WeakPolarHBondContact O-CB 3.33Å; F871-D874 PolarHBondContact O-N 3.44Å
872	L	92	Very high	91.4	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-66.2	-24.4	179.2	-69	179.9	0	0	0	113	L791 L838 Y842 V845 V846 L849 L868 I878	L791-L872 HydrophobicContact CD2-CD1 4.29Å; L791-L872 HydrophobicContact CD2-CD2 4.29Å; L838-L872 HydrophobicContact CD1-CD2 4.3Å; L838-L872 HydrophobicContact CD2-CD2 4.39Å; Y842-L872 HydrophobicContact CE2-CB 4.15Å; Y842-L872 HydrophobicContact CE2-CD2 4.48Å; Y842-L872 PolarHBondContact OH-O 2.82Å; V845-L872 HydrophobicContact CG1-CD1 3.73Å; V846-L872 HydrophobicContact CG2-CB 3.91Å; V846-L872 HydrophobicContact CG2-CD1 3.85Å; L849-L872 HydrophobicContact CD1-CD1 3.71Å; L868-L872 PolarHBondContact O-N 3.25Å; L872-I878 HydrophobicContact CD2-CD1 4.11Å; L872-I878 WeakPolarHBondContact O-CG1 3.5Å
873	M	90.1	Very high	91.8	Very high	31 Å²	31	22.3 Å²	22.3	15%	0.153	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	0.3	172.3	-68.8	-178	73.8	0	0	114.4	L869 Q870 F871 I944 A945 M946 K947	L869-M873 HydrophobicContact CD1-CG 4.12Å; L869-M873 HydrophobicContact CD1-SD 3.92Å; L869-M873 HydrophobicContact CG-SD 4.07Å; L869-M873 WeakPolarHBondContact O-CB 3.19Å; L869-M873 WeakPolarHBondContact O-CG 3.45Å; L869-M873 PolarHBondContact O-N 3.36Å; Q870-M873 PolarHBondContact O-N 3.33Å; F871-M873 PolarHBondContact O-N 3.23Å; M873-I944 HydrophobicContact CE-CG2 4.03Å; M873-I944 HydrophobicContact CG-CG2 3.94Å; M873-A945 WeakPolarHBondContact CE-O 3.39Å; M873-M946 WeakPolarHBondContact O-CA 3.5Å; M873-K947 HydrophobicContact CB-CD 4.38Å; M873-K947 PolarHBondContact O-N 3.29Å
874	D	90.1	Very high	92	Very high	19 Å²	19	19.7 Å²	19.7	10%	0.102	11%	0.106	C	C	.	.	B	Isolated β-bridge	trans	-85.5	124.6	178.2	176.7	69.1	0	0	0	111.6	Q870 F871 Q876 S877 I878 N948	Q870-D874 PolarHBondContact O-N 2.98Å; F871-D874 WeakPolarHBondContact O-CB 3.33Å; F871-D874 PolarHBondContact O-N 3.44Å; D874-Q876 PolarHBondContact O-N 2.99Å; D874-Q876 WeakPolarHBondContact OD2-CB 3.32Å; D874-Q876 PolarHBondContact OD2-N 3.46Å; D874-S877 PolarHBondContact O-N 2.83Å; D874-S877 WeakPolarHBondContact OD2-CB 3.34Å; D874-S877 PolarHBondContact OD2-N 3.15Å; D874-S877 PolarHBondContact OD2-OG 2.77Å; D874-I878 PolarHBondContact O-N 2.73Å; D874-N948 PolarHBondContact OD1-ND2 3.5Å
875	Y	88.4	Confident	92.2	Very high	9 Å²	9	18.1 Å²	18.1	4%	0.035	10%	0.098	C	C	.	.	H	α-helix	trans	-64.3	-39	-175.8	-177.7	-96.9	0	0	0	113	S877 K879 F933 F937 M946 K947 L949 A952 E953	Y875-S877 VanDerWaalsContact C-N 3.32Å; Y875-S877 PolarHBondContact O-N 3.13Å; Y875-K879 HydrophobicContact CE1-CD 3.66Å; Y875-K879 VanDerWaalsContact O-CB 3.3Å; Y875-K879 WeakPolarHBondContact O-CB 3.17Å; Y875-K879 PolarHBondContact O-N 2.67Å; Y875-K879 PolarHBondContact OH-NZ 3.31Å; Y875-F933 HydrophobicContact CD2-CE1 4.44Å; Y875-F933 AromaticContact CD2-CZ 3.96Å; Y875-F933 HydrophobicContact CD2-CZ 3.96Å; Y875-F933 AromaticContact CE2-CE1 3.65Å; Y875-F933 HydrophobicContact CE2-CE1 3.65Å; Y875-F933 AromaticContact CE2-CZ 3.56Å; Y875-F933 HydrophobicContact CE2-CZ 3.56Å; Y875-F933 AromaticContact CZ-CE1 3.88Å; Y875-F937 HydrophobicContact CD2-CD2 4.26Å; Y875-F937 HydrophobicContact CD2-CE1 4.33Å; Y875-F937 AromaticContact CD2-CE2 3.69Å; Y875-F937 HydrophobicContact CD2-CE2 3.69Å; Y875-F937 AromaticContact CD2-CZ 3.72Å; Y875-F937 HydrophobicContact CD2-CZ 3.72Å; Y875-F937 AromaticContact CE2-CD1 3.85Å; Y875-F937 HydrophobicContact CE2-CD1 3.85Å; Y875-F937 AromaticContact CE2-CD2 3.8Å; Y875-F937 HydrophobicContact CE2-CD2 3.8Å; Y875-F937 AromaticContact CE2-CE1 3.58Å; Y875-F937 HydrophobicContact CE2-CE1 3.58Å; Y875-F937 AromaticContact CE2-CE2 3.55Å; Y875-F937 HydrophobicContact CE2-CE2 3.55Å; Y875-F937 AromaticContact CE2-CG 3.96Å; Y875-F937 HydrophobicContact CE2-CG 3.96Å; Y875-F937 AromaticContact CE2-CZ 3.43Å; Y875-F937 HydrophobicContact CE2-CZ 3.43Å; Y875-F937 VanDerWaalsContact CE2-CZ 3.43Å; Y875-M946 HydrophobicContact CD2-CB 4.34Å; Y875-K947 VanDerWaalsContact CB-O 3.23Å; Y875-K947 WeakPolarHBondContact CB-O 3.41Å; Y875-K947 PolarHBondContact N-O 3Å; Y875-L949 HydrophobicContact CD1-CD1 3.75Å; Y875-L949 HydrophobicContact CD2-CD1 3.65Å; Y875-L949 HydrophobicContact CE1-CD1 3.66Å; Y875-L949 HydrophobicContact CE2-CD1 3.55Å; Y875-L949 HydrophobicContact CG-CD1 3.73Å; Y875-A952 HydrophobicContact CD1-CB 3.85Å; Y875-E953 HydrophobicContact CE1-CB 4.43Å; Y875-E953 WeakPolarHBondContact CE1-OE2 3.45Å
876	Q	89.6	Confident	92.4	Very high	34 Å²	34	18.1 Å²	18.1	16%	0.159	10%	0.098	C	C	.	.	H	α-helix	trans	-63.9	-42.3	-180	-161	-169	-95.9	0	0	110.4	D874 L880 A952 I959	D874-Q876 PolarHBondContact O-N 2.99Å; D874-Q876 WeakPolarHBondContact OD2-CB 3.32Å; D874-Q876 PolarHBondContact OD2-N 3.46Å; Q876-L880 WeakPolarHBondContact O-CB 3.33Å; Q876-L880 PolarHBondContact O-N 2.88Å; Q876-A952 HydrophobicContact CB-CB 3.73Å; Q876-A952 HydrophobicContact CG-CB 4.27Å; Q876-I959 HydrophobicContact CG-CD1 4.49Å
877	S	90.3	Very high	92.5	Very high	15 Å²	15	14.6 Å²	14.6	11%	0.105	8%	0.079	C	C	.	.	H	α-helix	trans	-63.4	-49.4	-178.1	-59.5	0	0	0	0	112.2	D874 Y875 I881	D874-S877 PolarHBondContact O-N 2.83Å; D874-S877 WeakPolarHBondContact OD2-CB 3.34Å; D874-S877 PolarHBondContact OD2-N 3.15Å; D874-S877 PolarHBondContact OD2-OG 2.77Å; Y875-S877 VanDerWaalsContact C-N 3.32Å; Y875-S877 PolarHBondContact O-N 3.13Å; S877-I881 WeakPolarHBondContact O-CG1 3.46Å; S877-I881 PolarHBondContact O-N 2.93Å
878	I	90.8	Very high	92.5	Very high	6 Å²	6	12.4 Å²	12.4	3%	0.031	6%	0.061	C	C	.	.	H	α-helix	trans	-70	-45.2	179.5	-57.2	-54.6	0	0	0	111.6	Y842 L872 D874 L880 I881 Y882 F933 F941 M946	Y842-I878 HydrophobicContact CE2-CD1 4.01Å; Y842-I878 HydrophobicContact CE2-CG1 4.41Å; L872-I878 HydrophobicContact CD2-CD1 4.11Å; L872-I878 WeakPolarHBondContact O-CG1 3.5Å; D874-I878 PolarHBondContact O-N 2.73Å; I878-L880 PolarHBondContact O-N 3.46Å; I878-I881 HydrophobicContact CD1-CD1 4.23Å; I878-I881 PolarHBondContact O-N 3.33Å; I878-I881 VanDerWaalsContact O-N 3.09Å; I878-Y882 HydrophobicContact CG2-CD2 3.99Å; I878-Y882 HydrophobicContact CG2-CE2 3.92Å; I878-Y882 PolarHBondContact O-N 2.65Å; I878-F933 HydrophobicContact CB-CE2 4.29Å; I878-F933 HydrophobicContact CG2-CD2 4.06Å; I878-F933 HydrophobicContact CG2-CE2 3.62Å; I878-F941 HydrophobicContact CG2-CD1 4.24Å; I878-F941 HydrophobicContact CG2-CE1 3.98Å; I878-F941 HydrophobicContact CG2-CZ 4.38Å; I878-M946 HydrophobicContact CB-CE 4.18Å; I878-M946 HydrophobicContact CG1-CE 3.69Å
879	K	91.9	Very high	92.4	Very high	1 Å²	1	12.4 Å²	12.4	0%	0.004	6%	0.061	C	C	.	.	H	α-helix	trans	-60.2	-34.5	178.1	-166.1	173.4	-172.5	162.2	0	112	Y875 F883 L930 F933 E934 E953 F956	Y875-K879 HydrophobicContact CE1-CD 3.66Å; Y875-K879 VanDerWaalsContact O-CB 3.3Å; Y875-K879 WeakPolarHBondContact O-CB 3.17Å; Y875-K879 PolarHBondContact O-N 2.67Å; Y875-K879 PolarHBondContact OH-NZ 3.31Å; K879-F883 PolarHBondContact O-N 3.17Å; K879-F883 VanDerWaalsContact O-N 3.12Å; K879-L930 HydrophobicContact CD-CD1 4.37Å; K879-L930 HydrophobicContact CG-CD1 3.63Å; K879-F933 HydrophobicContact CB-CD1 4.22Å; K879-F933 HydrophobicContact CB-CE1 3.65Å; K879-F933 HydrophobicContact CB-CZ 4.02Å; K879-F933 HydrophobicContact CD-CD1 4.4Å; K879-F933 HydrophobicContact CD-CE1 3.93Å; K879-F933 HydrophobicContact CG-CD1 3.86Å; K879-F933 HydrophobicContact CG-CE1 3.62Å; K879-F933 HydrophobicContact CG-CZ 4.48Å; K879-E934 WeakPolarHBondContact CE-OE1 3.37Å; K879-E934 IonicContact NZ-OE1 2.67Å; K879-E934 PolarHBondContact NZ-OE1 3.38Å; K879-E953 IonicContact NZ-OE1 2.86Å; K879-E953 PolarHBondContact NZ-OE1 3.43Å; K879-E953 IonicContact NZ-OE2 2.75Å; K879-E953 PolarHBondContact NZ-OE2 3.44Å; K879-F956 HydrophobicContact CB-CD2 4.41Å; K879-F956 HydrophobicContact CB-CE2 4.15Å; K879-F956 HydrophobicContact CD-CD1 3.88Å; K879-F956 HydrophobicContact CD-CD2 4.03Å; K879-F956 HydrophobicContact CD-CE1 3.95Å; K879-F956 HydrophobicContact CD-CE2 4.1Å; K879-F956 HydrophobicContact CD-CG 3.93Å; K879-F956 HydrophobicContact CD-CZ 4.07Å; K879-F956 HydrophobicContact CG-CD1 4.44Å; K879-F956 HydrophobicContact CG-CD2 4.08Å; K879-F956 HydrophobicContact CG-CE1 4.09Å; K879-F956 HydrophobicContact CG-CE2 3.7Å; K879-F956 HydrophobicContact CG-CG 4.44Å; K879-F956 HydrophobicContact CG-CZ 3.71Å
880	L	92.8	Very high	92.4	Very high	2 Å²	2	11.8 Å²	11.8	1%	0.01	6%	0.058	C	C	.	.	H	α-helix	trans	-70.2	-35.6	175.6	-175.6	57.2	0	0	0	112.9	C780 L781 L784 Q876 I878 F883 L884 I959 I963	C780-L880 HydrophobicContact CB-CD2 4.35Å; L781-L880 HydrophobicContact CD2-CD1 4.37Å; L781-L880 HydrophobicContact CD2-CD2 4.03Å; L781-L880 HydrophobicContact CD2-CG 4.39Å; L784-L880 HydrophobicContact CD2-CD2 4.05Å; L784-L880 HydrophobicContact CD2-CG 4Å; Q876-L880 WeakPolarHBondContact O-CB 3.33Å; Q876-L880 PolarHBondContact O-N 2.88Å; I878-L880 PolarHBondContact O-N 3.46Å; L880-F883 HydrophobicContact CD1-CD1 4.36Å; L880-L884 HydrophobicContact CD1-CD1 3.98Å; L880-L884 HydrophobicContact CD1-CG 4.04Å; L880-L884 HydrophobicContact CG-CD1 3.79Å; L880-L884 HydrophobicContact CG-CG 4.34Å; L880-L884 VanDerWaalsContact O-CB 3.29Å; L880-L884 WeakPolarHBondContact O-CB 3.32Å; L880-L884 WeakPolarHBondContact O-CD1 3.15Å; L880-L884 WeakPolarHBondContact O-CG 3.31Å; L880-L884 PolarHBondContact O-N 3.27Å; L880-I959 HydrophobicContact CD1-CG2 4.1Å; L880-I963 HydrophobicContact CD1-CD1 3.9Å
881	I	93.5	Very high	92.4	Very high	5 Å²	5	7.2 Å²	7.2	3%	0.026	4%	0.037	C	C	.	.	H	α-helix	trans	-60.4	-50.1	172.8	-69.2	167.7	0	0	0	110.8	L784 L788 L835 L838 I839 S877 I878 F883 L884 L885	L784-I881 HydrophobicContact CD1-CD1 3.93Å; L784-I881 HydrophobicContact CD1-CG1 3.75Å; L784-I881 HydrophobicContact CD2-CG1 4.11Å; L788-I881 HydrophobicContact CD2-CD1 4.47Å; L835-I881 HydrophobicContact CB-CG2 4.29Å; L835-I881 HydrophobicContact CD1-CG2 4.32Å; L835-I881 HydrophobicContact CD2-CG2 4.09Å; L835-I881 HydrophobicContact CG-CG2 4.47Å; L838-I881 HydrophobicContact CD2-CD1 4.48Å; I839-I881 HydrophobicContact CD1-CG2 4.14Å; S877-I881 WeakPolarHBondContact O-CG1 3.46Å; S877-I881 PolarHBondContact O-N 2.93Å; I878-I881 HydrophobicContact CD1-CD1 4.23Å; I878-I881 PolarHBondContact O-N 3.33Å; I878-I881 VanDerWaalsContact O-N 3.09Å; I881-F883 PolarHBondContact O-N 3.35Å; I881-L884 PolarHBondContact O-N 3.32Å; I881-L885 HydrophobicContact CG2-CD1 4.31Å; I881-L885 PolarHBondContact O-N 3.18Å
882	Y	94.3	Very high	92.3	Very high	6 Å²	6	8.4 Å²	8.4	2%	0.024	5%	0.046	C	C	.	.	H	α-helix	trans	-61.3	-44.2	180	-84.5	-88.2	0	0	0	112.4	I839 I878 L885 D886 Y929 F933 F941	I839-Y882 HydrophobicContact CD1-CD1 4.09Å; I839-Y882 HydrophobicContact CD1-CD2 4.23Å; I839-Y882 HydrophobicContact CD1-CE1 3.88Å; I839-Y882 HydrophobicContact CD1-CE2 3.99Å; I839-Y882 HydrophobicContact CD1-CG 4.3Å; I839-Y882 HydrophobicContact CG1-CE2 4.02Å; I839-Y882 HydrophobicContact CG2-CE1 4.26Å; I839-Y882 VanDerWaalsContact CG2-OH 3.28Å; I839-Y882 WeakPolarHBondContact CG2-OH 3.48Å; I878-Y882 HydrophobicContact CG2-CD2 3.99Å; I878-Y882 HydrophobicContact CG2-CE2 3.92Å; I878-Y882 PolarHBondContact O-N 2.65Å; Y882-L885 WeakPolarHBondContact O-CB 3.17Å; Y882-L885 PolarHBondContact O-N 3.49Å; Y882-D886 PolarHBondContact O-N 3.44Å; Y882-Y929 HydrophobicContact CD1-CD1 4.46Å; Y882-Y929 WeakPolarHBondContact CD1-O 3.32Å; Y882-Y929 VanDerWaalsContact O-CB 3.3Å; Y882-Y929 WeakPolarHBondContact O-CB 3.24Å; Y882-F933 HydrophobicContact CD1-CB 3.92Å; Y882-F933 HydrophobicContact CD2-CB 3.84Å; Y882-F933 AromaticContact CD2-CD2 3.65Å; Y882-F933 HydrophobicContact CD2-CD2 3.65Å; Y882-F933 AromaticContact CD2-CG 3.98Å; Y882-F933 HydrophobicContact CD2-CG 3.98Å; Y882-F933 HydrophobicContact CE1-CB 4.2Å; Y882-F933 HydrophobicContact CE2-CB 4.14Å; Y882-F933 AromaticContact CE2-CD2 3.65Å; Y882-F933 HydrophobicContact CE2-CD2 3.65Å; Y882-F933 HydrophobicContact CE2-CG 4.3Å; Y882-F933 HydrophobicContact CG-CB 3.7Å; Y882-F933 HydrophobicContact CG-CD2 4.39Å; Y882-F933 HydrophobicContact CG-CG 4.28Å; Y882-F941 HydrophobicContact CE2-CE2 4.3Å; Y882-F941 AromaticContact CE2-CZ 3.84Å; Y882-F941 HydrophobicContact CE2-CZ 3.84Å; Y882-F941 WeakPolarHBondContact OH-CZ 3.47Å
883	F	95.3	Very high	92.2	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-67.4	-35.4	175.8	172.2	-109.6	0	0	0	113.6	K879 L880 I881 L885 D886 V887 L922 L930 F956 R960 I963	K879-F883 PolarHBondContact O-N 3.17Å; K879-F883 VanDerWaalsContact O-N 3.12Å; L880-F883 HydrophobicContact CD1-CD1 4.36Å; I881-F883 PolarHBondContact O-N 3.35Å; F883-L885 VanDerWaalsContact C-N 3.29Å; F883-L885 PolarHBondContact O-N 3.27Å; F883-D886 PolarHBondContact O-N 3.49Å; F883-V887 HydrophobicContact CE1-CG2 4.14Å; F883-V887 HydrophobicContact CE2-CG2 3.94Å; F883-V887 HydrophobicContact CZ-CG2 3.71Å; F883-V887 PolarHBondContact O-N 3.37Å; F883-L922 HydrophobicContact CE2-CB 4.31Å; F883-L930 HydrophobicContact CB-CD1 4.37Å; F883-L930 HydrophobicContact CB-CD2 4.22Å; F883-L930 HydrophobicContact CD2-CD2 4.04Å; F883-L930 HydrophobicContact CG-CD2 4.48Å; F883-F956 HydrophobicContact CB-CE2 4.42Å; F883-F956 HydrophobicContact CB-CZ 3.82Å; F883-F956 HydrophobicContact CD1-CZ 4.44Å; F883-F956 HydrophobicContact CG-CZ 4.1Å; F883-R960 HydrophobicContact CD1-CG 4.49Å; F883-R960 HydrophobicContact CD2-CG 4.1Å; F883-R960 HydrophobicContact CE1-CB 4.26Å; F883-R960 HydrophobicContact CE1-CG 4.01Å; F883-R960 HydrophobicContact CE2-CG 3.56Å; F883-R960 HydrophobicContact CZ-CB 4.2Å; F883-R960 HydrophobicContact CZ-CG 3.51Å; F883-I963 HydrophobicContact CD1-CD1 4.32Å; F883-I963 HydrophobicContact CE1-CB 3.91Å; F883-I963 HydrophobicContact CE1-CD1 3.87Å; F883-I963 HydrophobicContact CE1-CG1 4.47Å; F883-I963 HydrophobicContact CE1-CG2 3.83Å; F883-I963 HydrophobicContact CZ-CB 4.41Å; F883-I963 HydrophobicContact CZ-CG2 4.27Å
884	L	93.8	Very high	92.3	Very high	4 Å²	4	8.4 Å²	8.4	2%	0.021	5%	0.045	C	C	.	.	H	α-helix	trans	-65.9	-34	174.4	-75.2	165	0	0	0	111.5	L781 L784 I829 L880 I881 V887 I888 I963	L781-L884 HydrophobicContact CD2-CD1 3.68Å; L781-L884 HydrophobicContact CD2-CD2 4.16Å; L781-L884 HydrophobicContact CD2-CG 4.48Å; L784-L884 HydrophobicContact CD2-CD1 3.69Å; I829-L884 HydrophobicContact CG2-CD1 3.84Å; L880-L884 HydrophobicContact CD1-CD1 3.98Å; L880-L884 HydrophobicContact CD1-CG 4.04Å; L880-L884 HydrophobicContact CG-CD1 3.79Å; L880-L884 HydrophobicContact CG-CG 4.34Å; L880-L884 VanDerWaalsContact O-CB 3.29Å; L880-L884 WeakPolarHBondContact O-CB 3.32Å; L880-L884 WeakPolarHBondContact O-CD1 3.15Å; L880-L884 WeakPolarHBondContact O-CG 3.31Å; L880-L884 PolarHBondContact O-N 3.27Å; I881-L884 PolarHBondContact O-N 3.32Å; L884-V887 PolarHBondContact O-N 3.27Å; L884-I888 HydrophobicContact CB-CD1 4.31Å; L884-I888 WeakPolarHBondContact O-CB 3.38Å; L884-I888 WeakPolarHBondContact O-CD1 3.21Å; L884-I888 WeakPolarHBondContact O-CG1 3.23Å; L884-I888 PolarHBondContact O-N 3.17Å; L884-I963 HydrophobicContact CD2-CD1 4.35Å
885	L	93.8	Very high	92.3	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-61.7	-43.2	173.3	-77.9	166.7	0	0	0	112.5	Q832 L835 I839 I881 Y882 F883 V887 A889 Y929	Q832-L885 HydrophobicContact CB-CD2 4.4Å; Q832-L885 HydrophobicContact CG-CD2 3.76Å; L835-L885 HydrophobicContact CB-CD1 4.21Å; L835-L885 HydrophobicContact CB-CD2 3.95Å; L835-L885 HydrophobicContact CB-CG 4.27Å; L835-L885 HydrophobicContact CD1-CD2 4.06Å; L835-L885 HydrophobicContact CD1-CG 4.14Å; I839-L885 HydrophobicContact CD1-CD1 3.38Å; I881-L885 HydrophobicContact CG2-CD1 4.31Å; I881-L885 PolarHBondContact O-N 3.18Å; Y882-L885 WeakPolarHBondContact O-CB 3.17Å; Y882-L885 PolarHBondContact O-N 3.49Å; F883-L885 VanDerWaalsContact C-N 3.29Å; F883-L885 PolarHBondContact O-N 3.27Å; L885-V887 PolarHBondContact O-N 2.86Å; L885-A889 VanDerWaalsContact O-CB 3.27Å; L885-A889 WeakPolarHBondContact O-CB 3.46Å; L885-A889 PolarHBondContact O-N 3.36Å; L885-A889 VanDerWaalsContact O-N 3.1Å; L885-Y929 HydrophobicContact CB-CD1 4.18Å; L885-Y929 HydrophobicContact CB-CD2 3.54Å; L885-Y929 HydrophobicContact CB-CE1 4.38Å; L885-Y929 HydrophobicContact CB-CE2 3.76Å; L885-Y929 HydrophobicContact CB-CG 3.74Å; L885-Y929 HydrophobicContact CD1-CD1 4.05Å; L885-Y929 HydrophobicContact CD1-CE1 4.08Å; L885-Y929 HydrophobicContact CD1-CG 4.41Å
886	D	95.2	Very high	92.3	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-55.8	-50.5	173	-72.7	-41.9	0	0	0	111.2	Y882 F883 V890 L922 G927 E928 Y929 L930	Y882-D886 PolarHBondContact O-N 3.44Å; F883-D886 PolarHBondContact O-N 3.49Å; D886-V890 WeakPolarHBondContact O-CG2 3.13Å; D886-V890 PolarHBondContact O-N 3.46Å; D886-L922 HydrophobicContact CB-CD1 4Å; D886-L922 HydrophobicContact CB-CD2 4.17Å; D886-G927 VanDerWaalsContact CG-CA 3.44Å; D886-G927 VanDerWaalsContact OD1-C 3.27Å; D886-G927 WeakPolarHBondContact OD1-CA 3.03Å; D886-G927 VanDerWaalsContact OD2-CA 3.32Å; D886-G927 WeakPolarHBondContact OD2-CA 3.38Å; D886-G927 PolarHBondContact OD2-N 2.95Å; D886-E928 PolarHBondContact OD1-N 3.33Å; D886-E928 VanDerWaalsContact OD1-N 3.12Å; D886-Y929 WeakPolarHBondContact OD1-CB 3.39Å; D886-Y929 PolarHBondContact OD1-N 3.42Å; D886-L930 VanDerWaalsContact OD2-CB 3.23Å; D886-L930 WeakPolarHBondContact OD2-CB 3.34Å; D886-L930 PolarHBondContact OD2-N 2.98Å
887	V	94.6	Very high	92.3	Very high	4 Å²	4	12.8 Å²	12.8	2%	0.024	6%	0.063	C	C	.	.	H	α-helix	trans	-65.5	-50	-179.2	173.1	0	0	0	0	112	F883 L884 L885 A889 V890 L891 I919 L922 I963	F883-V887 HydrophobicContact CE1-CG2 4.14Å; F883-V887 HydrophobicContact CE2-CG2 3.94Å; F883-V887 HydrophobicContact CZ-CG2 3.71Å; F883-V887 PolarHBondContact O-N 3.37Å; L884-V887 PolarHBondContact O-N 3.27Å; L885-V887 PolarHBondContact O-N 2.86Å; V887-A889 PolarHBondContact O-N 3.18Å; V887-V890 PolarHBondContact O-N 3.32Å; V887-L891 HydrophobicContact CG1-CD1 3.82Å; V887-L891 WeakPolarHBondContact O-CD1 3.42Å; V887-L891 VanDerWaalsContact O-CG 3.24Å; V887-L891 WeakPolarHBondContact O-CG 3.31Å; V887-L891 PolarHBondContact O-N 3.48Å; V887-I919 HydrophobicContact CG1-CD1 4.15Å; V887-L922 HydrophobicContact CG2-CD1 4.11Å; V887-I963 HydrophobicContact CG1-CG2 4.43Å; V887-I963 HydrophobicContact CG2-CG2 4.31Å
888	I	92.9	Very high	92.3	Very high	3 Å²	3	12 Å²	12	2%	0.015	6%	0.058	C	C	.	.	H	α-helix	trans	-53.2	-40.9	179.6	-80.8	165	0	0	0	111.4	H766 I829 Q832 L835 L884 L891 S892	H766-I888 HydrophobicContact CB-CG1 4.18Å; I829-I888 HydrophobicContact CG2-CD1 4.33Å; I829-I888 WeakPolarHBondContact O-CD1 3.32Å; Q832-I888 HydrophobicContact CB-CG2 4.31Å; L835-I888 HydrophobicContact CD1-CD1 4.37Å; L884-I888 HydrophobicContact CB-CD1 4.31Å; L884-I888 WeakPolarHBondContact O-CB 3.38Å; L884-I888 WeakPolarHBondContact O-CD1 3.21Å; L884-I888 WeakPolarHBondContact O-CG1 3.23Å; L884-I888 PolarHBondContact O-N 3.17Å; I888-L891 WeakPolarHBondContact O-CB 3.13Å; I888-S892 WeakPolarHBondContact O-CB 3.49Å; I888-S892 PolarHBondContact O-N 3.2Å; I888-S892 PolarHBondContact O-OG 2.76Å
889	A	91.8	Very high	92.1	Very high	1 Å²	1	14.2 Å²	14.2	1%	0.008	7%	0.068	C	C	.	.	H	α-helix	trans	-90.5	-24.1	-169.4	0	0	0	0	0	112.4	F410 L885 V887 L891 S892 R893	F410-A889 HydrophobicContact CB-CB 4.06Å; F410-A889 HydrophobicContact CD1-CB 3.14Å; F410-A889 VanDerWaalsContact CD1-O 3.23Å; F410-A889 WeakPolarHBondContact CD1-O 3.43Å; F410-A889 HydrophobicContact CD2-CB 3.6Å; F410-A889 HydrophobicContact CE1-CB 3.33Å; F410-A889 HydrophobicContact CE2-CB 3.75Å; F410-A889 HydrophobicContact CG-CB 3.3Å; F410-A889 HydrophobicContact CZ-CB 3.62Å; L885-A889 VanDerWaalsContact O-CB 3.27Å; L885-A889 WeakPolarHBondContact O-CB 3.46Å; L885-A889 PolarHBondContact O-N 3.36Å; L885-A889 VanDerWaalsContact O-N 3.1Å; V887-A889 PolarHBondContact O-N 3.18Å; A889-L891 VanDerWaalsContact C-N 3.28Å; A889-L891 PolarHBondContact O-N 3.45Å; A889-S892 PolarHBondContact O-N 3.32Å; A889-R893 PolarHBondContact O-N 2.79Å
890	V	94.3	Very high	91.7	Very high	1 Å²	1	15.5 Å²	15.5	1%	0.006	8%	0.081	C	C	.	.	H	α-helix	trans	-57.9	-47.2	162.4	170.8	0	0	0	0	109.2	F410 D886 V887 S892 R893 L894 A915 E918 I919 L922	F410-V890 HydrophobicContact CE1-CG2 4.14Å; D886-V890 WeakPolarHBondContact O-CG2 3.13Å; D886-V890 PolarHBondContact O-N 3.46Å; V887-V890 PolarHBondContact O-N 3.32Å; V890-S892 VanDerWaalsContact C-N 3.31Å; V890-S892 PolarHBondContact O-N 3.01Å; V890-R893 PolarHBondContact O-N 2.9Å; V890-L894 PolarHBondContact O-N 3.47Å; V890-L894 VanDerWaalsContact O-N 3.16Å; V890-A915 HydrophobicContact CG1-CB 4.44Å; V890-E918 HydrophobicContact CG1-CB 4.26Å; V890-E918 HydrophobicContact CG1-CG 4.21Å; V890-E918 HydrophobicContact CG2-CG 3.9Å; V890-I919 HydrophobicContact CB-CD1 3.85Å; V890-I919 HydrophobicContact CG1-CD1 3.7Å; V890-I919 HydrophobicContact CG1-CG1 3.97Å; V890-I919 HydrophobicContact CG2-CD1 4.27Å; V890-L922 HydrophobicContact CG2-CD1 4.03Å
891	L	92.5	Very high	91	Very high	1 Å²	1	22.8 Å²	22.8	1%	0.005	12%	0.115	C	C	.	.	H	α-helix	trans	-65.3	-32.9	177.5	-65.6	165.8	0	0	0	112.3	P765 H766 I769 V887 I888 A889 L894 A895 T967 L971	P765-L891 HydrophobicContact CG-CB 4.23Å; P765-L891 WeakPolarHBondContact CG-O 3.48Å; H766-L891 HydrophobicContact CB-CB 4.33Å; H766-L891 HydrophobicContact CB-CD1 3.75Å; I769-L891 HydrophobicContact CD1-CD1 3.51Å; I769-L891 HydrophobicContact CD1-CD2 3.57Å; I769-L891 HydrophobicContact CD1-CG 4.2Å; V887-L891 HydrophobicContact CG1-CD1 3.82Å; V887-L891 WeakPolarHBondContact O-CD1 3.42Å; V887-L891 VanDerWaalsContact O-CG 3.24Å; V887-L891 WeakPolarHBondContact O-CG 3.31Å; V887-L891 PolarHBondContact O-N 3.48Å; I888-L891 WeakPolarHBondContact O-CB 3.13Å; A889-L891 VanDerWaalsContact C-N 3.28Å; A889-L891 PolarHBondContact O-N 3.45Å; L891-L894 PolarHBondContact O-N 3.05Å; L891-A895 PolarHBondContact O-N 3.07Å; L891-A895 VanDerWaalsContact O-N 3.08Å; L891-T967 HydrophobicContact CD1-CG2 4.25Å; L891-T967 HydrophobicContact CD2-CG2 4.1Å; L891-L971 HydrophobicContact CD2-CD1 3.94Å; L891-L971 HydrophobicContact CD2-CD2 3.84Å; L891-L971 HydrophobicContact CD2-CG 4.18Å
892	S	90.2	Very high	90.3	Very high	35 Å²	35	28 Å²	28	25%	0.245	14%	0.135	C	C	.	.	H	α-helix	trans	-73.7	-35.3	176.2	-57.1	0	0	0	0	112.7	I888 A889 V890 L894 A895 Y896	I888-S892 WeakPolarHBondContact O-CB 3.49Å; I888-S892 PolarHBondContact O-N 3.2Å; I888-S892 PolarHBondContact O-OG 2.76Å; A889-S892 PolarHBondContact O-N 3.32Å; V890-S892 VanDerWaalsContact C-N 3.31Å; V890-S892 PolarHBondContact O-N 3.01Å; S892-L894 VanDerWaalsContact C-N 3.33Å; S892-A895 PolarHBondContact O-N 2.98Å; S892-Y896 WeakPolarHBondContact O-CB 3.32Å; S892-Y896 PolarHBondContact O-N 3.18Å
893	R	90.3	Very high	89.9	Confident	27 Å²	27	28.1 Å²	28.1	10%	0.102	14%	0.136	C	C	.	.	H	α-helix	trans	-59.8	-44.7	168.2	-79.3	-157.1	-69.1	-83.4	-12.4	111.8	T408 S409 F410 I415 A889 V890 Y896 I897 E918	T408-R893 PolarHBondContact O-NH1 3.01Å; S409-R893 PolarHBondContact O-NH1 3.31Å; F410-R893 HydrophobicContact CD1-CG 4.29Å; I415-R893 HydrophobicContact CD1-CB 3.96Å; I415-R893 HydrophobicContact CD1-CG 3.68Å; I415-R893 HydrophobicContact CG1-CG 4.2Å; A889-R893 PolarHBondContact O-N 2.79Å; V890-R893 PolarHBondContact O-N 2.9Å; R893-Y896 PolarHBondContact O-N 2.58Å; R893-I897 WeakPolarHBondContact O-CG1 3.48Å; R893-I897 PolarHBondContact O-N 2.82Å; R893-E918 IonicContact CZ-OE1 2.72Å; R893-E918 IonicContact CZ-OE2 3.78Å; R893-E918 IonicContact NE-OE2 3.82Å; R893-E918 IonicContact NH2-OE1 3.34Å; R893-E918 PolarHBondContact NH2-OE1 2.89Å; R893-E918 IonicContact NH2-OE2 3.32Å; R893-E918 PolarHBondContact NH2-OE2 3.31Å
894	L	92	Very high	89.3	Confident	4 Å²	4	28.9 Å²	28.9	2%	0.021	14%	0.14	C	C	.	.	H	α-helix	trans	-60.6	-49.6	-179.8	-174.3	61.1	0	0	0	110.2	M761 V890 L891 S892 Y896 I897 F898 K911 A915 L971	M761-L894 HydrophobicContact CE-CD2 3.62Å; M761-L894 HydrophobicContact CE-CG 4.24Å; M761-L894 HydrophobicContact SD-CB 4.45Å; M761-L894 HydrophobicContact SD-CD2 3.7Å; M761-L894 HydrophobicContact SD-CG 3.68Å; V890-L894 PolarHBondContact O-N 3.47Å; V890-L894 VanDerWaalsContact O-N 3.16Å; L891-L894 PolarHBondContact O-N 3.05Å; S892-L894 VanDerWaalsContact C-N 3.33Å; L894-Y896 VanDerWaalsContact C-N 3.33Å; L894-Y896 PolarHBondContact O-N 3.12Å; L894-I897 PolarHBondContact O-N 2.59Å; L894-I897 VanDerWaalsContact O-N 3.14Å; L894-F898 HydrophobicContact CD1-CD2 4.35Å; L894-F898 HydrophobicContact CD1-CE2 3.91Å; L894-F898 HydrophobicContact CG-CD2 4.46Å; L894-F898 HydrophobicContact CG-CE2 4.26Å; L894-F898 WeakPolarHBondContact O-CD2 3.37Å; L894-F898 PolarHBondContact O-N 2.84Å; L894-K911 HydrophobicContact CD1-CB 4.14Å; L894-K911 WeakPolarHBondContact CD1-O 3.2Å; L894-A915 HydrophobicContact CB-CB 4.49Å; L894-A915 HydrophobicContact CD1-CB 4.24Å; L894-A915 HydrophobicContact CD2-CB 3.83Å; L894-A915 HydrophobicContact CG-CB 4.42Å; L894-L971 HydrophobicContact CD2-CD2 3.85Å
895	A	89.3	Confident	89.1	Confident	4 Å²	4	29.3 Å²	29.3	3%	0.033	14%	0.143	C	C	.	.	H	α-helix	trans	-54.5	-46.6	173.7	0	0	0	0	0	112.4	P765 L891 S892 I897 F898 Q899	P765-A895 HydrophobicContact CG-CB 4.17Å; L891-A895 PolarHBondContact O-N 3.07Å; L891-A895 VanDerWaalsContact O-N 3.08Å; S892-A895 PolarHBondContact O-N 2.98Å; A895-I897 VanDerWaalsContact C-N 3.27Å; A895-I897 PolarHBondContact O-N 2.6Å; A895-F898 PolarHBondContact O-N 3.38Å; A895-F898 VanDerWaalsContact O-N 3.08Å; A895-Q899 VanDerWaalsContact O-CG 3.26Å; A895-Q899 WeakPolarHBondContact O-CG 3.31Å; A895-Q899 PolarHBondContact O-N 2.94Å
896	Y	88.8	Confident	88.7	Confident	106 Å²	106	29.5 Å²	29.5	42%	0.416	14%	0.144	S	C	.	.	H	α-helix	trans	-59.7	-34.4	178.9	-170.6	-85.2	0	0	0	113.5	P412 S892 R893 L894 Q899 G900	P412-Y896 HydrophobicContact CB-CD1 3.95Å; P412-Y896 HydrophobicContact CB-CD2 4.44Å; P412-Y896 HydrophobicContact CB-CE1 3.52Å; P412-Y896 HydrophobicContact CB-CE2 4Å; P412-Y896 HydrophobicContact CB-CG 4.41Å; P412-Y896 HydrophobicContact CG-CD1 3.99Å; P412-Y896 HydrophobicContact CG-CD2 3.72Å; P412-Y896 HydrophobicContact CG-CE1 3.89Å; P412-Y896 HydrophobicContact CG-CE2 3.56Å; P412-Y896 HydrophobicContact CG-CG 3.93Å; S892-Y896 WeakPolarHBondContact O-CB 3.32Å; S892-Y896 PolarHBondContact O-N 3.18Å; R893-Y896 PolarHBondContact O-N 2.58Å; L894-Y896 VanDerWaalsContact C-N 3.33Å; L894-Y896 PolarHBondContact O-N 3.12Å; Y896-Q899 PolarHBondContact O-N 3.37Å; Y896-G900 PolarHBondContact O-N 3.48Å
897	I	90.1	Very high	88.3	Confident	43 Å²	43	32 Å²	32	22%	0.221	16%	0.156	C	C	.	.	H	α-helix	trans	-65.9	-40	176.2	-68.4	163.9	0	0	0	111.2	R893 L894 A895 L903 K911	R893-I897 WeakPolarHBondContact O-CG1 3.48Å; R893-I897 PolarHBondContact O-N 2.82Å; L894-I897 PolarHBondContact O-N 2.59Å; L894-I897 VanDerWaalsContact O-N 3.14Å; A895-I897 VanDerWaalsContact C-N 3.27Å; A895-I897 PolarHBondContact O-N 2.6Å; I897-L903 HydrophobicContact CG2-CD1 4.07Å; I897-K911 HydrophobicContact CG2-CG 4.15Å
898	F	89.9	Confident	88.2	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-72.4	-30.2	174.2	-78.7	-90.4	0	0	0	112.8	P759 M761 L894 A895 G900 L903 V908 I912 T1083 S1084 T1085	P759-F898 VanDerWaalsContact O-CE1 3.3Å; P759-F898 WeakPolarHBondContact O-CE1 3.15Å; M761-F898 HydrophobicContact CB-CB 3.94Å; M761-F898 HydrophobicContact CB-CD2 4.05Å; M761-F898 HydrophobicContact CB-CG 3.99Å; M761-F898 HydrophobicContact CG-CD2 4.2Å; M761-F898 HydrophobicContact CG-CE2 4.5Å; M761-F898 HydrophobicContact CG-CG 4.48Å; M761-F898 HydrophobicContact SD-CD2 4.19Å; M761-F898 HydrophobicContact SD-CE2 4.31Å; L894-F898 HydrophobicContact CD1-CD2 4.35Å; L894-F898 HydrophobicContact CD1-CE2 3.91Å; L894-F898 HydrophobicContact CG-CD2 4.46Å; L894-F898 HydrophobicContact CG-CE2 4.26Å; L894-F898 WeakPolarHBondContact O-CD2 3.37Å; L894-F898 PolarHBondContact O-N 2.84Å; A895-F898 PolarHBondContact O-N 3.38Å; A895-F898 VanDerWaalsContact O-N 3.08Å; F898-G900 PolarHBondContact O-N 2.95Å; F898-L903 HydrophobicContact CD1-CD2 3.59Å; F898-L903 HydrophobicContact CD2-CD2 4.4Å; F898-L903 HydrophobicContact CE1-CD2 3.64Å; F898-L903 HydrophobicContact CE2-CD2 4.44Å; F898-L903 HydrophobicContact CG-CD2 3.99Å; F898-L903 HydrophobicContact CZ-CD2 4.08Å; F898-V908 HydrophobicContact CE1-CG1 4.13Å; F898-V908 HydrophobicContact CE1-CG2 4.46Å; F898-V908 HydrophobicContact CZ-CG1 4.07Å; F898-I912 HydrophobicContact CE2-CG1 4.32Å; F898-I912 HydrophobicContact CZ-CD1 4.09Å; F898-I912 HydrophobicContact CZ-CG1 4.25Å; F898-T1083 WeakPolarHBondContact CD1-O 3.38Å; F898-S1084 WeakPolarHBondContact O-CA 3.44Å; F898-T1085 HydrophobicContact CB-CG2 4.27Å; F898-T1085 PolarHBondContact O-N 3.26Å; F898-T1085 PolarHBondContact O-OG1 3.01Å
899	Q	87.6	Confident	88.1	Confident	52 Å²	52	31.8 Å²	31.8	24%	0.243	16%	0.155	C	C	.	.	H	α-helix	trans	-71.2	-14.1	175.8	-69.4	162.6	-6.9	0	0	113.8	A895 Y896 T1085 A1086 E1089	A895-Q899 VanDerWaalsContact O-CG 3.26Å; A895-Q899 WeakPolarHBondContact O-CG 3.31Å; A895-Q899 PolarHBondContact O-N 2.94Å; Y896-Q899 PolarHBondContact O-N 3.37Å; Q899-T1085 VanDerWaalsContact CA-OG1 3.28Å; Q899-T1085 WeakPolarHBondContact CA-OG1 3.33Å; Q899-T1085 WeakPolarHBondContact CG-OG1 3.29Å; Q899-T1085 PolarHBondContact N-OG1 2.95Å; Q899-A1086 WeakPolarHBondContact O-CB 3.48Å; Q899-E1089 HydrophobicContact CB-CG 4.35Å; Q899-E1089 VanDerWaalsContact CD-OE1 3.29Å; Q899-E1089 HydrophobicContact CG-CG 3.89Å; Q899-E1089 PolarHBondContact NE2-OE1 3.23Å
900	G	84.1	Confident	88	Confident	27 Å²	27	34.6 Å²	34.6	28%	0.278	17%	0.169	S	C	.	.	S	Bend	trans	-63.6	148.4	173.3	0	0	0	0	0	112.6	Y896 F898 Y902 S1084	Y896-G900 PolarHBondContact O-N 3.48Å; F898-G900 PolarHBondContact O-N 2.95Å; G900-Y902 PolarHBondContact O-N 2.81Å; G900-S1084 WeakPolarHBondContact O-CB 3.31Å; G900-S1084 PolarHBondContact O-OG 2.92Å
901	E	76.9	Confident	87.9	Confident	156 Å²	156	36.4 Å²	36.4	73%	0.729	18%	0.177	S	C	*	.	S	Bend	trans	-61.5	-15.1	-176	-58.2	-166.9	129.9	0	0	114.6	A1086 K1090	E901-A1086 HydrophobicContact CG-CB 4.38Å; E901-K1090 IonicContact OE1-NZ 3.93Å
902	Y	79.2	Confident	87.9	Confident	113 Å²	113	36.4 Å²	36.4	44%	0.443	18%	0.177	S	C	.	.			trans	-153.1	113.7	-178.8	-167.7	-109	0	0	0	111.9	G900 L904 F1054	G900-Y902 PolarHBondContact O-N 2.81Å; Y902-L904 HydrophobicContact CD1-CD2 4.45Å; Y902-L904 HydrophobicContact CE1-CD2 3.43Å; Y902-L904 VanDerWaalsContact CE1-CD2 3.43Å; Y902-L904 HydrophobicContact CE1-CG 4.11Å; Y902-L904 WeakPolarHBondContact OH-CD2 3.17Å; Y902-F1054 WeakPolarHBondContact OH-CE1 3.4Å
903	L	85.1	Confident	88	Confident	9 Å²	9	37.4 Å²	37.4	5%	0.047	18%	0.178	C	C	.	.			trans	-120	128.4	169.7	178.5	60.2	0	0	0	108.7	I897 F898 Q907 V908 T1083	I897-L903 HydrophobicContact CG2-CD1 4.07Å; F898-L903 HydrophobicContact CD1-CD2 3.59Å; F898-L903 HydrophobicContact CD2-CD2 4.4Å; F898-L903 HydrophobicContact CE1-CD2 3.64Å; F898-L903 HydrophobicContact CE2-CD2 4.44Å; F898-L903 HydrophobicContact CG-CD2 3.99Å; F898-L903 HydrophobicContact CZ-CD2 4.08Å; L903-Q907 HydrophobicContact CD1-CB 4.1Å; L903-V908 HydrophobicContact CD2-CG2 4.03Å; L903-V908 HydrophobicContact CG-CG2 4.22Å; L903-T1083 WeakPolarHBondContact O-CB 3.27Å; L903-T1083 PolarHBondContact O-OG1 2.82Å
904	L	83.8	Confident	88.3	Confident	17 Å²	17	39.7 Å²	39.7	9%	0.089	19%	0.19	C	C	.	.			trans	-71.7	139.9	177.1	-70	-177.7	0	0	0	110.9	Y902 S906 Q907 V908 F1054	Y902-L904 HydrophobicContact CD1-CD2 4.45Å; Y902-L904 HydrophobicContact CE1-CD2 3.43Å; Y902-L904 VanDerWaalsContact CE1-CD2 3.43Å; Y902-L904 HydrophobicContact CE1-CG 4.11Å; Y902-L904 WeakPolarHBondContact OH-CD2 3.17Å; L904-S906 VanDerWaalsContact C-N 3.28Å; L904-S906 PolarHBondContact O-N 3.24Å; L904-Q907 HydrophobicContact CB-CB 4.3Å; L904-Q907 HydrophobicContact CB-CG 4.07Å; L904-Q907 PolarHBondContact O-N 2.96Å; L904-V908 PolarHBondContact O-N 3.33Å; L904-F1054 HydrophobicContact CD1-CB 3.9Å; L904-F1054 HydrophobicContact CD1-CD1 4.34Å; L904-F1054 HydrophobicContact CD1-CD2 4.22Å; L904-F1054 HydrophobicContact CD1-CG 3.93Å; L904-F1054 HydrophobicContact CD2-CB 4.4Å; L904-F1054 HydrophobicContact CD2-CD1 3.32Å; L904-F1054 HydrophobicContact CD2-CD2 4.19Å; L904-F1054 HydrophobicContact CD2-CE1 3.42Å; L904-F1054 VanDerWaalsContact CD2-CE1 3.42Å; L904-F1054 HydrophobicContact CD2-CE2 4.26Å; L904-F1054 HydrophobicContact CD2-CG 3.74Å; L904-F1054 HydrophobicContact CD2-CZ 3.9Å; L904-F1054 HydrophobicContact CG-CD1 4.5Å
905	V	89	Confident	88.4	Confident	13 Å²	13	39.8 Å²	39.8	8%	0.079	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.2	-48.7	175.5	178.1	0	0	0	0	110.6	Q907 V908 V983 C986 L1078 L1081 T1083	V905-Q907 PolarHBondContact O-N 2.74Å; V905-V908 WeakPolarHBondContact O-CB 3.23Å; V905-V908 WeakPolarHBondContact O-CG2 3.14Å; V905-V908 PolarHBondContact O-N 3.23Å; V905-V908 VanDerWaalsContact O-N 3.13Å; V905-V983 HydrophobicContact CG1-CG2 3.82Å; V905-V983 WeakPolarHBondContact O-CG1 3.27Å; V905-C986 HydrophobicContact CG1-CB 4.2Å; V905-L1078 HydrophobicContact CG1-CD2 4.34Å; V905-L1081 HydrophobicContact CG1-CD1 4.07Å; V905-L1081 HydrophobicContact CG2-CB 4.11Å; V905-L1081 HydrophobicContact CG2-CD1 4.09Å; V905-T1083 HydrophobicContact CG2-CG2 3.83Å
906	S	85.1	Confident	88.7	Confident	3 Å²	3	40.3 Å²	40.3	2%	0.021	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-35.7	177.5	50.3	0	0	0	0	114	L904 C986	L904-S906 VanDerWaalsContact C-N 3.28Å; L904-S906 PolarHBondContact O-N 3.24Å; S906-C986 WeakPolarHBondContact CB-O 3.38Å
907	Q	88.1	Confident	89.1	Confident	53 Å²	53	40 Å²	40	25%	0.248	20%	0.196	C	C	.	.	H	α-helix	trans	-84.4	-11.3	-174.6	-65.7	174.6	-5.3	0	0	112.9	L903 L904 V905 D909 D910 K911 D990	L903-Q907 HydrophobicContact CD1-CB 4.1Å; L904-Q907 HydrophobicContact CB-CB 4.3Å; L904-Q907 HydrophobicContact CB-CG 4.07Å; L904-Q907 PolarHBondContact O-N 2.96Å; V905-Q907 PolarHBondContact O-N 2.74Å; Q907-D909 VanDerWaalsContact C-N 3.32Å; Q907-D909 PolarHBondContact O-N 2.82Å; Q907-D910 PolarHBondContact O-N 2.9Å; Q907-K911 WeakPolarHBondContact O-CG 3.28Å; Q907-K911 PolarHBondContact O-N 2.85Å; Q907-D990 PolarHBondContact NE2-OD2 2.89Å
908	V	90.6	Very high	89.3	Confident	0 Å²	0	39 Å²	39	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-60	-41.6	-178.7	172.1	0	0	0	0	111.7	P759 F898 L903 L904 V905 I912 F975 V983 T1083	P759-V908 HydrophobicContact CG-CG1 3.55Å; F898-V908 HydrophobicContact CE1-CG1 4.13Å; F898-V908 HydrophobicContact CE1-CG2 4.46Å; F898-V908 HydrophobicContact CZ-CG1 4.07Å; L903-V908 HydrophobicContact CD2-CG2 4.03Å; L903-V908 HydrophobicContact CG-CG2 4.22Å; L904-V908 PolarHBondContact O-N 3.33Å; V905-V908 WeakPolarHBondContact O-CB 3.23Å; V905-V908 WeakPolarHBondContact O-CG2 3.14Å; V905-V908 PolarHBondContact O-N 3.23Å; V905-V908 VanDerWaalsContact O-N 3.13Å; V908-I912 HydrophobicContact CG1-CD1 4.47Å; V908-I912 PolarHBondContact O-N 2.74Å; V908-F975 HydrophobicContact CG1-CE1 4Å; V908-F975 HydrophobicContact CG1-CZ 4.21Å; V908-V983 HydrophobicContact CB-CG1 4.34Å; V908-T1083 HydrophobicContact CG2-CG2 3.82Å
909	D	91.3	Very high	89.7	Confident	3 Å²	3	39 Å²	39	2%	0.016	19%	0.19	C	C	.	.	H	α-helix	trans	-72.6	-46.3	179.3	-158.6	52.9	0	0	0	111.9	Q907 K911 I912 E913 F975 R980 V983 K984	Q907-D909 VanDerWaalsContact C-N 3.32Å; Q907-D909 PolarHBondContact O-N 2.82Å; D909-K911 PolarHBondContact O-N 2.7Å; D909-I912 PolarHBondContact O-N 3.09Å; D909-I912 VanDerWaalsContact O-N 3.13Å; D909-E913 WeakPolarHBondContact O-CB 3.46Å; D909-E913 PolarHBondContact O-N 3.06Å; D909-F975 HydrophobicContact CB-CE1 3.81Å; D909-F975 WeakPolarHBondContact OD1-CD1 3.19Å; D909-F975 WeakPolarHBondContact OD1-CE1 3.22Å; D909-R980 VanDerWaalsContact CG-NH2 3.31Å; D909-R980 WeakPolarHBondContact OD1-CD 3.49Å; D909-R980 WeakPolarHBondContact OD1-CG 3.39Å; D909-R980 IonicContact OD1-CZ 2.83Å; D909-R980 IonicContact OD1-NE 3.83Å; D909-R980 PolarHBondContact OD1-NE 3.22Å; D909-R980 IonicContact OD1-NH2 2.83Å; D909-R980 PolarHBondContact OD1-NH2 3.01Å; D909-R980 IonicContact OD2-CZ 3.46Å; D909-R980 VanDerWaalsContact OD2-CZ 3.3Å; D909-R980 IonicContact OD2-NE 3.33Å; D909-R980 PolarHBondContact OD2-NE 3.15Å; D909-R980 IonicContact OD2-NH2 2.8Å; D909-R980 PolarHBondContact OD2-NH2 3.17Å; D909-V983 HydrophobicContact CB-CG1 4.12Å; D909-K984 WeakPolarHBondContact OD2-CE 3.36Å; D909-K984 IonicContact OD2-NZ 2.9Å
910	D	90.3	Very high	90	Very high	59 Å²	59	38.8 Å²	38.8	32%	0.316	19%	0.194	S	C	.	.	H	α-helix	trans	-58.9	-34.2	-179.3	-62.4	-40	0	0	0	112.2	Q907 E914 Q987	Q907-D910 PolarHBondContact O-N 2.9Å; D910-E914 VanDerWaalsContact O-CB 3.25Å; D910-E914 WeakPolarHBondContact O-CB 3.44Å; D910-E914 VanDerWaalsContact O-CG 3.28Å; D910-E914 WeakPolarHBondContact O-CG 3.45Å; D910-E914 PolarHBondContact O-N 2.92Å; D910-Q987 PolarHBondContact OD1-NE2 3.08Å; D910-Q987 PolarHBondContact OD2-NE2 3.1Å
911	K	91.8	Very high	90.6	Very high	39 Å²	39	40.4 Å²	40.4	17%	0.17	19%	0.192	C	C	.	.	H	α-helix	trans	-77.4	-30.8	178.2	-62.2	-45.5	178.6	-162.8	0	114.1	L894 I897 Q907 D909 E914 A915	L894-K911 HydrophobicContact CD1-CB 4.14Å; L894-K911 WeakPolarHBondContact CD1-O 3.2Å; I897-K911 HydrophobicContact CG2-CG 4.15Å; Q907-K911 WeakPolarHBondContact O-CG 3.28Å; Q907-K911 PolarHBondContact O-N 2.85Å; D909-K911 PolarHBondContact O-N 2.7Å; K911-E914 WeakPolarHBondContact CD-OE2 3.39Å; K911-E914 IonicContact NZ-OE1 2.84Å; K911-E914 PolarHBondContact NZ-OE1 2.7Å; K911-E914 IonicContact NZ-OE2 3.83Å; K911-E914 PolarHBondContact NZ-OE2 3.38Å; K911-A915 PolarHBondContact O-N 3.4Å
912	I	92.6	Very high	91.4	Very high	2 Å²	2	33.2 Å²	33.2	1%	0.01	16%	0.158	C	C	.	.	H	α-helix	trans	-73.1	-39.8	171.9	-68.7	168.8	0	0	0	110	P759 F898 V908 D909 A915 I916 F975	P759-I912 HydrophobicContact CB-CD1 3.52Å; P759-I912 HydrophobicContact CG-CD1 3.24Å; F898-I912 HydrophobicContact CE2-CG1 4.32Å; F898-I912 HydrophobicContact CZ-CD1 4.09Å; F898-I912 HydrophobicContact CZ-CG1 4.25Å; V908-I912 HydrophobicContact CG1-CD1 4.47Å; V908-I912 PolarHBondContact O-N 2.74Å; D909-I912 PolarHBondContact O-N 3.09Å; D909-I912 VanDerWaalsContact O-N 3.13Å; I912-A915 PolarHBondContact O-N 3.35Å; I912-I916 HydrophobicContact CG2-CD1 3.78Å; I912-I916 HydrophobicContact CG2-CG1 4.44Å; I912-I916 VanDerWaalsContact O-CG1 3.29Å; I912-I916 WeakPolarHBondContact O-CG1 3.25Å; I912-I916 PolarHBondContact O-N 3.27Å; I912-F975 HydrophobicContact CD1-CD1 4.2Å
913	E	93.3	Very high	92.1	Very high	55 Å²	55	28.4 Å²	28.4	26%	0.257	14%	0.142	S	C	.	.	H	α-helix	trans	-70.8	-40.3	177.9	-160.4	66.2	-130	0	0	112.2	D909 A915 I916 Q917 R980	D909-E913 WeakPolarHBondContact O-CB 3.46Å; D909-E913 PolarHBondContact O-N 3.06Å; E913-A915 VanDerWaalsContact C-N 3.25Å; E913-A915 PolarHBondContact O-N 2.8Å; E913-I916 PolarHBondContact O-N 3.39Å; E913-Q917 WeakPolarHBondContact O-CB 3.37Å; E913-Q917 VanDerWaalsContact O-CG 3.28Å; E913-Q917 WeakPolarHBondContact O-CG 3.34Å; E913-Q917 PolarHBondContact O-N 3.08Å; E913-R980 IonicContact OE2-CZ 3.43Å; E913-R980 IonicContact OE2-NH1 2.6Å; E913-R980 PolarHBondContact OE2-NH1 3.39Å; E913-R980 IonicContact OE2-NH2 3.28Å; E913-R980 PolarHBondContact OE2-NH2 3.31Å
914	E	94.8	Very high	92.3	Very high	75 Å²	75	34 Å²	34	35%	0.35	17%	0.172	S	C	.	.	H	α-helix	trans	-52.8	-43.8	169.6	-86.5	179.7	-172.4	0	0	111	R422 D910 K911 E918	R422-E914 IonicContact NH1-OE1 3.68Å; D910-E914 VanDerWaalsContact O-CB 3.25Å; D910-E914 WeakPolarHBondContact O-CB 3.44Å; D910-E914 VanDerWaalsContact O-CG 3.28Å; D910-E914 WeakPolarHBondContact O-CG 3.45Å; D910-E914 PolarHBondContact O-N 2.92Å; K911-E914 WeakPolarHBondContact CD-OE2 3.39Å; K911-E914 IonicContact NZ-OE1 2.84Å; K911-E914 PolarHBondContact NZ-OE1 2.7Å; K911-E914 IonicContact NZ-OE2 3.83Å; K911-E914 PolarHBondContact NZ-OE2 3.38Å; E914-E918 WeakPolarHBondContact O-CB 3.46Å; E914-E918 PolarHBondContact O-N 3.39Å; E914-E918 VanDerWaalsContact O-N 3.1Å
915	A	95.4	Very high	92.6	Very high	6 Å²	6	35 Å²	35	5%	0.05	18%	0.181	C	C	.	.	H	α-helix	trans	-73.7	-39.9	179.2	0	0	0	0	0	113.2	V890 L894 K911 I912 E913 Q917 E918 I919	V890-A915 HydrophobicContact CG1-CB 4.44Å; L894-A915 HydrophobicContact CB-CB 4.49Å; L894-A915 HydrophobicContact CD1-CB 4.24Å; L894-A915 HydrophobicContact CD2-CB 3.83Å; L894-A915 HydrophobicContact CG-CB 4.42Å; K911-A915 PolarHBondContact O-N 3.4Å; I912-A915 PolarHBondContact O-N 3.35Å; E913-A915 VanDerWaalsContact C-N 3.25Å; E913-A915 PolarHBondContact O-N 2.8Å; A915-Q917 VanDerWaalsContact C-N 3.33Å; A915-Q917 PolarHBondContact O-N 3.43Å; A915-E918 PolarHBondContact O-N 3.39Å; A915-I919 WeakPolarHBondContact O-CG1 3.3Å; A915-I919 PolarHBondContact O-N 3.14Å
916	I	95.8	Very high	92.7	Very high	15 Å²	15	36.5 Å²	36.5	8%	0.077	19%	0.191	C	C	.	.	H	α-helix	trans	-59.5	-45.3	174.5	-75.4	168.1	0	0	0	110.4	I912 E913 E918 I919 S920 Q968 L971 A972	I912-I916 HydrophobicContact CG2-CD1 3.78Å; I912-I916 HydrophobicContact CG2-CG1 4.44Å; I912-I916 VanDerWaalsContact O-CG1 3.29Å; I912-I916 WeakPolarHBondContact O-CG1 3.25Å; I912-I916 PolarHBondContact O-N 3.27Å; E913-I916 PolarHBondContact O-N 3.39Å; I916-E918 VanDerWaalsContact C-N 3.32Å; I916-E918 PolarHBondContact O-N 2.93Å; I916-I919 PolarHBondContact O-N 3.19Å; I916-S920 WeakPolarHBondContact O-CB 3.28Å; I916-S920 PolarHBondContact O-N 2.89Å; I916-Q968 HydrophobicContact CG2-CB 4.31Å; I916-Q968 HydrophobicContact CG2-CG 4.11Å; I916-L971 HydrophobicContact CD1-CB 4.03Å; I916-L971 HydrophobicContact CG1-CB 3.72Å; I916-L971 HydrophobicContact CG1-CD1 4.02Å; I916-A972 HydrophobicContact CD1-CB 4.1Å
917	Q	96.1	Very high	93	Very high	101 Å²	101	36.5 Å²	36.5	47%	0.472	19%	0.192	S	C	.	.	H	α-helix	trans	-64.6	-35.4	176.4	-68.8	173.6	17.1	0	0	112.5	E913 A915 S920 R921	E913-Q917 WeakPolarHBondContact O-CB 3.37Å; E913-Q917 VanDerWaalsContact O-CG 3.28Å; E913-Q917 WeakPolarHBondContact O-CG 3.34Å; E913-Q917 PolarHBondContact O-N 3.08Å; A915-Q917 VanDerWaalsContact C-N 3.33Å; A915-Q917 PolarHBondContact O-N 3.43Å; Q917-S920 WeakPolarHBondContact O-CB 3.49Å; Q917-S920 PolarHBondContact O-N 3.03Å; Q917-R921 PolarHBondContact O-N 3.23Å
918	E	95.4	Very high	93.1	Very high	21 Å²	21	37.5 Å²	37.5	10%	0.098	20%	0.196	C	C	.	.	H	α-helix	trans	-68.6	-45.9	175.6	-170.1	165.2	-146.1	0	0	112.6	V890 R893 E914 A915 I916 S920 R921 L922	V890-E918 HydrophobicContact CG1-CB 4.26Å; V890-E918 HydrophobicContact CG1-CG 4.21Å; V890-E918 HydrophobicContact CG2-CG 3.9Å; R893-E918 IonicContact CZ-OE1 2.72Å; R893-E918 IonicContact CZ-OE2 3.78Å; R893-E918 IonicContact NE-OE2 3.82Å; R893-E918 IonicContact NH2-OE1 3.34Å; R893-E918 PolarHBondContact NH2-OE1 2.89Å; R893-E918 IonicContact NH2-OE2 3.32Å; R893-E918 PolarHBondContact NH2-OE2 3.31Å; E914-E918 WeakPolarHBondContact O-CB 3.46Å; E914-E918 PolarHBondContact O-N 3.39Å; E914-E918 VanDerWaalsContact O-N 3.1Å; A915-E918 PolarHBondContact O-N 3.39Å; I916-E918 VanDerWaalsContact C-N 3.32Å; I916-E918 PolarHBondContact O-N 2.93Å; E918-S920 PolarHBondContact O-N 3.07Å; E918-R921 PolarHBondContact O-N 3.34Å; E918-L922 PolarHBondContact O-N 3.1Å; E918-L922 VanDerWaalsContact O-N 3.13Å
919	I	96.6	Very high	93.2	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-61.1	-33.6	171.3	-63.7	-62	0	0	0	111.4	V887 V890 A915 I916 L922 C964 T967 Q968 L971	V887-I919 HydrophobicContact CG1-CD1 4.15Å; V890-I919 HydrophobicContact CB-CD1 3.85Å; V890-I919 HydrophobicContact CG1-CD1 3.7Å; V890-I919 HydrophobicContact CG1-CG1 3.97Å; V890-I919 HydrophobicContact CG2-CD1 4.27Å; A915-I919 WeakPolarHBondContact O-CG1 3.3Å; A915-I919 PolarHBondContact O-N 3.14Å; I916-I919 PolarHBondContact O-N 3.19Å; I919-L922 HydrophobicContact CD1-CD1 4.2Å; I919-L922 PolarHBondContact O-N 2.9Å; I919-C964 HydrophobicContact CG2-CB 4.03Å; I919-C964 WeakPolarHBondContact CG2-O 3.33Å; I919-C964 PolarHBondContact O-SG 3.17Å; I919-T967 HydrophobicContact CB-CG2 4.4Å; I919-T967 HydrophobicContact CD1-CG2 4.06Å; I919-T967 HydrophobicContact CG1-CG2 3.87Å; I919-T967 HydrophobicContact CG2-CG2 3.75Å; I919-Q968 HydrophobicContact CB-CG 4.22Å; I919-Q968 HydrophobicContact CG2-CG 3.85Å; I919-L971 HydrophobicContact CG1-CD1 4.37Å
920	S	95.7	Very high	93.3	Very high	47 Å²	47	39.3 Å²	39.3	33%	0.329	20%	0.203	S	C	.	.	H	α-helix	trans	-64	-47	174.7	-163.7	0	0	0	0	111.7	I916 Q917 E918 L922 A923	I916-S920 WeakPolarHBondContact O-CB 3.28Å; I916-S920 PolarHBondContact O-N 2.89Å; Q917-S920 WeakPolarHBondContact O-CB 3.49Å; Q917-S920 PolarHBondContact O-N 3.03Å; E918-S920 PolarHBondContact O-N 3.07Å; S920-L922 PolarHBondContact O-N 2.93Å; S920-A923 WeakPolarHBondContact O-CB 3.42Å; S920-A923 PolarHBondContact O-N 2.85Å
921	R	95.4	Very high	93.4	Very high	61 Å²	61	40.7 Å²	40.7	23%	0.23	21%	0.208	C	C	.	.	H	α-helix	trans	-58.7	-34.7	174.5	-70.4	-173.5	-60.9	-89.6	1.5	112.6	Q917 E918 A923 D924 S925	Q917-R921 PolarHBondContact O-N 3.23Å; E918-R921 PolarHBondContact O-N 3.34Å; R921-A923 PolarHBondContact O-N 3.44Å; R921-A923 VanDerWaalsContact O-N 3.15Å; R921-D924 PolarHBondContact O-N 3.03Å; R921-S925 PolarHBondContact O-N 3.22Å; R921-S925 VanDerWaalsContact O-O 3.12Å; R921-S925 PolarHBondContact O-OG 2.91Å
922	L	94.9	Very high	93.3	Very high	5 Å²	5	42.9 Å²	42.9	3%	0.026	22%	0.219	C	C	.	.	H	α-helix	trans	-63.8	-13.8	177.3	-71.7	-177.8	0	0	0	114.3	F883 D886 V887 V890 E918 I919 S920 S925 R960	F883-L922 HydrophobicContact CE2-CB 4.31Å; D886-L922 HydrophobicContact CB-CD1 4Å; D886-L922 HydrophobicContact CB-CD2 4.17Å; V887-L922 HydrophobicContact CG2-CD1 4.11Å; V890-L922 HydrophobicContact CG2-CD1 4.03Å; E918-L922 PolarHBondContact O-N 3.1Å; E918-L922 VanDerWaalsContact O-N 3.13Å; I919-L922 HydrophobicContact CD1-CD1 4.2Å; I919-L922 PolarHBondContact O-N 2.9Å; S920-L922 PolarHBondContact O-N 2.93Å; L922-S925 WeakPolarHBondContact CA-O 3.3Å; L922-R960 VanDerWaalsContact O-CZ 3.28Å; L922-R960 PolarHBondContact O-NE 3.49Å; L922-R960 PolarHBondContact O-NH2 3.39Å
923	A	92.6	Very high	93.2	Very high	13 Å²	13	42.8 Å²	42.8	11%	0.107	22%	0.218	C	C	.	.	H	α-helix	trans	-75.5	-31.4	171.4	0	0	0	0	0	112.9	S920 R921 Q957 R960 C964	S920-A923 WeakPolarHBondContact O-CB 3.42Å; S920-A923 PolarHBondContact O-N 2.85Å; R921-A923 PolarHBondContact O-N 3.44Å; R921-A923 VanDerWaalsContact O-N 3.15Å; A923-Q957 PolarHBondContact O-NE2 3.4Å; A923-R960 PolarHBondContact O-NE 3.4Å; A923-R960 PolarHBondContact O-NH1 2.89Å; A923-R960 VanDerWaalsContact O-NH1 3.13Å; A923-C964 HydrophobicContact CB-CB 3.88Å
924	D	89.9	Confident	93	Very high	125 Å²	125	43.8 Å²	43.8	67%	0.668	22%	0.223	S	C	*	.	H	α-helix	trans	-101.7	-60.7	-175.9	-58.6	-50.4	0	0	0	111.2	R921 R960	R921-D924 PolarHBondContact O-N 3.03Å; D924-R960 PolarHBondContact O-NH1 3.48Å; D924-R960 PolarHBondContact O-NH2 3.02Å
925	S	90.1	Very high	92.6	Very high	40 Å²	40	46.4 Å²	46.4	28%	0.28	24%	0.235	S	C	.	.	S	Bend	trans	-95.6	137.2	178.3	54.5	0	0	0	0	112.5	R921 L922 R960	R921-S925 PolarHBondContact O-N 3.22Å; R921-S925 VanDerWaalsContact O-O 3.12Å; R921-S925 PolarHBondContact O-OG 2.91Å; L922-S925 WeakPolarHBondContact CA-O 3.3Å; S925-R960 PolarHBondContact O-NH2 3.02Å
926	P	90.5	Very high	92	Very high	43 Å²	43	50 Å²	50	28%	0.279	25%	0.253	S	S	.	.			trans	-64.2	155.7	176.5	28.2	-35.1	0	0	0	111.6	L930 Q931	P926-L930 HydrophobicContact CB-CB 3.85Å; P926-L930 HydrophobicContact CB-CD2 3.8Å; P926-L930 HydrophobicContact CB-CG 3.75Å; P926-Q931 HydrophobicContact CB-CB 4.34Å; P926-Q931 HydrophobicContact CG-CB 4.26Å
927	G	91.4	Very high	91.4	Very high	4 Å²	4	50.7 Å²	50.7	4%	0.041	26%	0.256	C	S	.	.			trans	-86.8	-176.2	169.2	0	0	0	0	0	111.9	D886 Y929 L930 Q931	D886-G927 VanDerWaalsContact CG-CA 3.44Å; D886-G927 VanDerWaalsContact OD1-C 3.27Å; D886-G927 WeakPolarHBondContact OD1-CA 3.03Å; D886-G927 VanDerWaalsContact OD2-CA 3.32Å; D886-G927 WeakPolarHBondContact OD2-CA 3.38Å; D886-G927 PolarHBondContact OD2-N 2.95Å; G927-Y929 VanDerWaalsContact C-N 3.27Å; G927-Y929 PolarHBondContact O-N 3.22Å; G927-L930 PolarHBondContact O-N 3.48Å; G927-Q931 WeakPolarHBondContact O-CB 3.45Å; G927-Q931 PolarHBondContact O-N 2.96Å
928	E	90.9	Very high	90.3	Very high	74 Å²	74	56 Å²	56	35%	0.346	27%	0.272	S	S	.	.	H	α-helix	trans	-59.1	-37.4	-176.9	-80.2	163.8	-152.5	0	0	112.1	T407 T408 S409 D886 E932	T407-E928 WeakPolarHBondContact CB-OE1 3.38Å; T408-E928 WeakPolarHBondContact CA-OE1 3.33Å; T408-E928 PolarHBondContact N-OE1 2.92Å; T408-E928 WeakPolarHBondContact OG1-CB 3.13Å; T408-E928 WeakPolarHBondContact OG1-CG 3.18Å; T408-E928 PolarHBondContact OG1-N 3.47Å; S409-E928 VanDerWaalsContact CA-OE2 3.23Å; S409-E928 WeakPolarHBondContact CA-OE2 3.28Å; S409-E928 PolarHBondContact N-OE1 3.16Å; S409-E928 PolarHBondContact N-OE2 3.17Å; D886-E928 PolarHBondContact OD1-N 3.33Å; D886-E928 VanDerWaalsContact OD1-N 3.12Å; E928-E932 WeakPolarHBondContact O-CB 3.15Å; E928-E932 PolarHBondContact O-N 2.83Å; E928-E932 VanDerWaalsContact O-N 3.11Å
929	Y	93.1	Very high	89	Confident	40 Å²	40	63.5 Å²	63.5	16%	0.157	31%	0.306	C	S	.	.	H	α-helix	trans	-74.2	-50.3	177.8	-73	-73.2	0	0	0	112.2	F410 Q832 N836 Y882 L885 D886 G927 Q931 E932 F933	F410-Y929 HydrophobicContact CD2-CD2 4.4Å; F410-Y929 AromaticContact CD2-CE2 3.68Å; F410-Y929 HydrophobicContact CD2-CE2 3.68Å; F410-Y929 AromaticContact CE2-CD2 3.69Å; F410-Y929 HydrophobicContact CE2-CD2 3.69Å; F410-Y929 AromaticContact CE2-CE2 3.41Å; F410-Y929 HydrophobicContact CE2-CE2 3.41Å; F410-Y929 VanDerWaalsContact CE2-CE2 3.41Å; F410-Y929 HydrophobicContact CZ-CE2 4.48Å; Q832-Y929 PolarHBondContact NE2-OH 3.5Å; N836-Y929 PolarHBondContact OD1-OH 3.26Å; Y882-Y929 HydrophobicContact CD1-CD1 4.46Å; Y882-Y929 WeakPolarHBondContact CD1-O 3.32Å; Y882-Y929 VanDerWaalsContact O-CB 3.3Å; Y882-Y929 WeakPolarHBondContact O-CB 3.24Å; L885-Y929 HydrophobicContact CB-CD1 4.18Å; L885-Y929 HydrophobicContact CB-CD2 3.54Å; L885-Y929 HydrophobicContact CB-CE1 4.38Å; L885-Y929 HydrophobicContact CB-CE2 3.76Å; L885-Y929 HydrophobicContact CB-CG 3.74Å; L885-Y929 HydrophobicContact CD1-CD1 4.05Å; L885-Y929 HydrophobicContact CD1-CE1 4.08Å; L885-Y929 HydrophobicContact CD1-CG 4.41Å; D886-Y929 WeakPolarHBondContact OD1-CB 3.39Å; D886-Y929 PolarHBondContact OD1-N 3.42Å; G927-Y929 VanDerWaalsContact C-N 3.27Å; G927-Y929 PolarHBondContact O-N 3.22Å; Y929-Q931 VanDerWaalsContact C-N 3.27Å; Y929-Q931 PolarHBondContact O-N 3.48Å; Y929-E932 PolarHBondContact O-N 2.83Å; Y929-F933 PolarHBondContact O-N 3.19Å
930	L	93.3	Very high	87.8	Confident	0 Å²	0	65.5 Å²	65.5	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-64	-34.4	179.6	-177.5	60.8	0	0	0	111.9	K879 F883 D886 P926 G927 F933 E934 F956	K879-L930 HydrophobicContact CD-CD1 4.37Å; K879-L930 HydrophobicContact CG-CD1 3.63Å; F883-L930 HydrophobicContact CB-CD1 4.37Å; F883-L930 HydrophobicContact CB-CD2 4.22Å; F883-L930 HydrophobicContact CD2-CD2 4.04Å; F883-L930 HydrophobicContact CG-CD2 4.48Å; D886-L930 VanDerWaalsContact OD2-CB 3.23Å; D886-L930 WeakPolarHBondContact OD2-CB 3.34Å; D886-L930 PolarHBondContact OD2-N 2.98Å; P926-L930 HydrophobicContact CB-CB 3.85Å; P926-L930 HydrophobicContact CB-CD2 3.8Å; P926-L930 HydrophobicContact CB-CG 3.75Å; G927-L930 PolarHBondContact O-N 3.48Å; L930-F933 HydrophobicContact CD1-CD1 4.46Å; L930-F933 PolarHBondContact O-N 2.74Å; L930-E934 HydrophobicContact CD1-CG 4.44Å; L930-E934 WeakPolarHBondContact O-CG 3.29Å; L930-E934 PolarHBondContact O-N 3.34Å; L930-F956 HydrophobicContact CD1-CE1 4.36Å; L930-F956 HydrophobicContact CD1-CZ 4.15Å; L930-F956 HydrophobicContact CD2-CE1 3.99Å; L930-F956 HydrophobicContact CD2-CZ 4.16Å
931	Q	92.5	Very high	86.8	Confident	88 Å²	88	63.3 Å²	63.3	41%	0.411	31%	0.305	S	S	.	.	H	α-helix	trans	-66.4	-43.6	173.9	-176.3	177	-13.2	0	0	111.7	P926 G927 Y929 F933 E934 E935	P926-Q931 HydrophobicContact CB-CB 4.34Å; P926-Q931 HydrophobicContact CG-CB 4.26Å; G927-Q931 WeakPolarHBondContact O-CB 3.45Å; G927-Q931 PolarHBondContact O-N 2.96Å; Y929-Q931 VanDerWaalsContact C-N 3.27Å; Y929-Q931 PolarHBondContact O-N 3.48Å; Q931-F933 VanDerWaalsContact C-N 3.26Å; Q931-F933 PolarHBondContact O-N 2.69Å; Q931-E934 PolarHBondContact O-N 3.34Å; Q931-E934 VanDerWaalsContact O-N 3.17Å; Q931-E935 HydrophobicContact CG-CG 4.26Å; Q931-E935 WeakPolarHBondContact CG-OE1 2.78Å; Q931-E935 PolarHBondContact NE2-OE1 2.91Å; Q931-E935 WeakPolarHBondContact O-CB 3.43Å; Q931-E935 WeakPolarHBondContact O-CG 3.41Å; Q931-E935 PolarHBondContact O-N 2.89Å
932	E	89.6	Confident	85.8	Confident	86 Å²	86	63.8 Å²	63.8	40%	0.402	31%	0.312	S	S	.	.	H	α-helix	trans	-57	-41.9	173.6	-179.3	-177.7	-167	0	0	111.3	E928 Y929 N936	E928-E932 WeakPolarHBondContact O-CB 3.15Å; E928-E932 PolarHBondContact O-N 2.83Å; E928-E932 VanDerWaalsContact O-N 3.11Å; Y929-E932 PolarHBondContact O-N 2.83Å; E932-N936 WeakPolarHBondContact CG-ND2 3.3Å; E932-N936 WeakPolarHBondContact O-CB 3.4Å; E932-N936 PolarHBondContact O-N 3.39Å; E932-N936 VanDerWaalsContact O-N 3.14Å; E932-N936 PolarHBondContact O-ND2 3.07Å
933	F	89.8	Confident	84.7	Confident	0 Å²	0	66.6 Å²	66.6	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-63.1	-47	175.1	175.9	-97	0	0	0	112	Y875 I878 K879 Y882 Y929 L930 Q931 N936 F937 F941	Y875-F933 HydrophobicContact CD2-CE1 4.44Å; Y875-F933 AromaticContact CD2-CZ 3.96Å; Y875-F933 HydrophobicContact CD2-CZ 3.96Å; Y875-F933 AromaticContact CE2-CE1 3.65Å; Y875-F933 HydrophobicContact CE2-CE1 3.65Å; Y875-F933 AromaticContact CE2-CZ 3.56Å; Y875-F933 HydrophobicContact CE2-CZ 3.56Å; Y875-F933 AromaticContact CZ-CE1 3.88Å; I878-F933 HydrophobicContact CB-CE2 4.29Å; I878-F933 HydrophobicContact CG2-CD2 4.06Å; I878-F933 HydrophobicContact CG2-CE2 3.62Å; K879-F933 HydrophobicContact CB-CD1 4.22Å; K879-F933 HydrophobicContact CB-CE1 3.65Å; K879-F933 HydrophobicContact CB-CZ 4.02Å; K879-F933 HydrophobicContact CD-CD1 4.4Å; K879-F933 HydrophobicContact CD-CE1 3.93Å; K879-F933 HydrophobicContact CG-CD1 3.86Å; K879-F933 HydrophobicContact CG-CE1 3.62Å; K879-F933 HydrophobicContact CG-CZ 4.48Å; Y882-F933 HydrophobicContact CD1-CB 3.92Å; Y882-F933 HydrophobicContact CD2-CB 3.84Å; Y882-F933 AromaticContact CD2-CD2 3.65Å; Y882-F933 HydrophobicContact CD2-CD2 3.65Å; Y882-F933 AromaticContact CD2-CG 3.98Å; Y882-F933 HydrophobicContact CD2-CG 3.98Å; Y882-F933 HydrophobicContact CE1-CB 4.2Å; Y882-F933 HydrophobicContact CE2-CB 4.14Å; Y882-F933 AromaticContact CE2-CD2 3.65Å; Y882-F933 HydrophobicContact CE2-CD2 3.65Å; Y882-F933 HydrophobicContact CE2-CG 4.3Å; Y882-F933 HydrophobicContact CG-CB 3.7Å; Y882-F933 HydrophobicContact CG-CD2 4.39Å; Y882-F933 HydrophobicContact CG-CG 4.28Å; Y929-F933 PolarHBondContact O-N 3.19Å; L930-F933 HydrophobicContact CD1-CD1 4.46Å; L930-F933 PolarHBondContact O-N 2.74Å; Q931-F933 VanDerWaalsContact C-N 3.26Å; Q931-F933 PolarHBondContact O-N 2.69Å; F933-N936 PolarHBondContact O-N 2.62Å; F933-F937 HydrophobicContact CZ-CD2 4.26Å; F933-F937 WeakPolarHBondContact O-CB 3.39Å; F933-F937 PolarHBondContact O-N 3Å; F933-F941 AromaticContact CD2-CD2 3.79Å; F933-F941 HydrophobicContact CD2-CD2 3.79Å; F933-F941 AromaticContact CD2-CE2 3.59Å; F933-F941 HydrophobicContact CD2-CE2 3.59Å; F933-F941 HydrophobicContact CD2-CZ 4.2Å; F933-F941 AromaticContact CE2-CD2 3.63Å; F933-F941 HydrophobicContact CE2-CD2 3.63Å; F933-F941 AromaticContact CE2-CE2 3.88Å; F933-F941 HydrophobicContact CE2-CE2 3.88Å; F933-F941 HydrophobicContact CE2-CG 4.01Å; F933-F941 HydrophobicContact CE2-CZ 4.45Å
934	E	88.9	Confident	84	Confident	76 Å²	76	66.5 Å²	66.5	36%	0.355	34%	0.34	S	S	.	.	H	α-helix	trans	-70.4	-31.7	-177.1	-71.1	-175.9	156.5	0	0	113.5	K879 L930 Q931	K879-E934 WeakPolarHBondContact CE-OE1 3.37Å; K879-E934 IonicContact NZ-OE1 2.67Å; K879-E934 PolarHBondContact NZ-OE1 3.38Å; L930-E934 HydrophobicContact CD1-CG 4.44Å; L930-E934 WeakPolarHBondContact O-CG 3.29Å; L930-E934 PolarHBondContact O-N 3.34Å; Q931-E934 PolarHBondContact O-N 3.34Å; Q931-E934 VanDerWaalsContact O-N 3.17Å
935	E	86.8	Confident	83.6	Confident	129 Å²	129	63.7 Å²	63.7	60%	0.603	33%	0.334	S	S	*	.	H	α-helix	trans	-74.4	-35.6	174.3	-72.1	-175.1	-167.8	0	0	113	Q931	Q931-E935 HydrophobicContact CG-CG 4.26Å; Q931-E935 WeakPolarHBondContact CG-OE1 2.78Å; Q931-E935 PolarHBondContact NE2-OE1 2.91Å; Q931-E935 WeakPolarHBondContact O-CB 3.43Å; Q931-E935 WeakPolarHBondContact O-CG 3.41Å; Q931-E935 PolarHBondContact O-N 2.89Å
936	N	83.3	Confident	83.2	Confident	82 Å²	82	62.9 Å²	62.9	44%	0.439	33%	0.326	S	S	.	.	H	α-helix	trans	-78.3	-22.8	175	-75.1	-58.9	0	0	0	112.9	E932 F933	E932-N936 WeakPolarHBondContact CG-ND2 3.3Å; E932-N936 WeakPolarHBondContact O-CB 3.4Å; E932-N936 PolarHBondContact O-N 3.39Å; E932-N936 VanDerWaalsContact O-N 3.14Å; E932-N936 PolarHBondContact O-ND2 3.07Å; F933-N936 PolarHBondContact O-N 2.62Å
937	F	82.4	Confident	82.7	Confident	29 Å²	29	65 Å²	65	13%	0.127	33%	0.331	C	S	.	.			trans	-80.4	136.6	-180	-172.8	-98.8	0	0	0	112.6	Y875 F933 F941 M946 L949	Y875-F937 HydrophobicContact CD2-CD2 4.26Å; Y875-F937 HydrophobicContact CD2-CE1 4.33Å; Y875-F937 AromaticContact CD2-CE2 3.69Å; Y875-F937 HydrophobicContact CD2-CE2 3.69Å; Y875-F937 AromaticContact CD2-CZ 3.72Å; Y875-F937 HydrophobicContact CD2-CZ 3.72Å; Y875-F937 AromaticContact CE2-CD1 3.85Å; Y875-F937 HydrophobicContact CE2-CD1 3.85Å; Y875-F937 AromaticContact CE2-CD2 3.8Å; Y875-F937 HydrophobicContact CE2-CD2 3.8Å; Y875-F937 AromaticContact CE2-CE1 3.58Å; Y875-F937 HydrophobicContact CE2-CE1 3.58Å; Y875-F937 AromaticContact CE2-CE2 3.55Å; Y875-F937 HydrophobicContact CE2-CE2 3.55Å; Y875-F937 AromaticContact CE2-CG 3.96Å; Y875-F937 HydrophobicContact CE2-CG 3.96Å; Y875-F937 AromaticContact CE2-CZ 3.43Å; Y875-F937 HydrophobicContact CE2-CZ 3.43Å; Y875-F937 VanDerWaalsContact CE2-CZ 3.43Å; F933-F937 HydrophobicContact CZ-CD2 4.26Å; F933-F937 WeakPolarHBondContact O-CB 3.39Å; F933-F937 PolarHBondContact O-N 3Å; F937-F941 HydrophobicContact CD2-CB 4.06Å; F937-F941 HydrophobicContact CE2-CB 4.45Å; F937-M946 HydrophobicContact CE2-CB 4.32Å; F937-M946 HydrophobicContact CE2-CG 3.94Å; F937-L949 HydrophobicContact CE1-CD1 3.78Å; F937-L949 HydrophobicContact CE1-CD2 4.26Å; F937-L949 HydrophobicContact CZ-CD1 3.72Å; F937-L949 HydrophobicContact CZ-CD2 4.05Å
938	R	72.9	Confident	82.1	Confident	213 Å²	213	69.9 Å²	69.9	80%	0.804	36%	0.356	S	S	*	.	S	Bend	trans	-133.9	-91.2	172.1	-60.9	-175.8	-174.9	-173.5	0.8	111.1	S940	R938-S940 PolarHBondContact N-O 3.13Å
939	E	67.3	Low	81.6	Confident	178 Å²	178	69.2 Å²	69.2	83%	0.832	36%	0.355	S	S	*	.	S	Bend	trans	-109.5	-8.8	169.7	-58.8	-175.6	149.9	0	0	111.5
940	S	72	Confident	80.8	Confident	42 Å²	42	78.2 Å²	78.2	29%	0.294	39%	0.388	S	S	.	.	S	Bend	trans	-145.7	156.3	178.2	54.4	0	0	0	0	109.1	R938 I944	R938-S940 PolarHBondContact N-O 3.13Å; S940-I944 CarbonylContact C-O 3.58Å; S940-I944 VanDerWaalsContact CA-O 3.25Å; S940-I944 WeakPolarHBondContact CA-O 3.47Å; S940-I944 VanDerWaalsContact CB-C 3.48Å; S940-I944 WeakPolarHBondContact CB-O 3.45Å
941	F	75.5	Confident	80.3	Confident	1 Å²	1	82.5 Å²	82.5	0%	0.004	41%	0.414	C	S	.	.	B	Isolated β-bridge	trans	-104.4	120.2	171.9	179.4	-115.9	0	0	0	108.3	Y842 I878 Y882 F933 F937 G943 I944 M946	Y842-F941 HydrophobicContact CD1-CD1 4.03Å; Y842-F941 AromaticContact CD1-CE1 3.67Å; Y842-F941 HydrophobicContact CD1-CE1 3.67Å; Y842-F941 HydrophobicContact CD2-CE1 4.42Å; Y842-F941 AromaticContact CE1-CD1 3.39Å; Y842-F941 HydrophobicContact CE1-CD1 3.39Å; Y842-F941 AromaticContact CE1-CE1 3.52Å; Y842-F941 HydrophobicContact CE1-CE1 3.52Å; Y842-F941 HydrophobicContact CE2-CD1 4.44Å; Y842-F941 HydrophobicContact CE2-CE1 4.31Å; Y842-F941 HydrophobicContact CG-CE1 4.13Å; Y842-F941 AromaticContact CZ-CD1 3.65Å; Y842-F941 AromaticContact CZ-CE1 3.88Å; I878-F941 HydrophobicContact CG2-CD1 4.24Å; I878-F941 HydrophobicContact CG2-CE1 3.98Å; I878-F941 HydrophobicContact CG2-CZ 4.38Å; Y882-F941 HydrophobicContact CE2-CE2 4.3Å; Y882-F941 AromaticContact CE2-CZ 3.84Å; Y882-F941 HydrophobicContact CE2-CZ 3.84Å; Y882-F941 WeakPolarHBondContact OH-CZ 3.47Å; F933-F941 AromaticContact CD2-CD2 3.79Å; F933-F941 HydrophobicContact CD2-CD2 3.79Å; F933-F941 AromaticContact CD2-CE2 3.59Å; F933-F941 HydrophobicContact CD2-CE2 3.59Å; F933-F941 HydrophobicContact CD2-CZ 4.2Å; F933-F941 AromaticContact CE2-CD2 3.63Å; F933-F941 HydrophobicContact CE2-CD2 3.63Å; F933-F941 AromaticContact CE2-CE2 3.88Å; F933-F941 HydrophobicContact CE2-CE2 3.88Å; F933-F941 HydrophobicContact CE2-CG 4.01Å; F933-F941 HydrophobicContact CE2-CZ 4.45Å; F937-F941 HydrophobicContact CD2-CB 4.06Å; F937-F941 HydrophobicContact CE2-CB 4.45Å; F941-G943 PolarHBondContact O-N 3.36Å; F941-G943 VanDerWaalsContact O-N 3.08Å; F941-I944 PolarHBondContact N-O 2.62Å; F941-I944 WeakPolarHBondContact O-CB 3.3Å; F941-I944 PolarHBondContact O-N 2.88Å; F941-M946 HydrophobicContact CB-CG 3.76Å; F941-M946 HydrophobicContact CB-SD 3.88Å
942	N	74.4	Confident	79.7	Confident	71 Å²	71	78.4 Å²	78.4	38%	0.38	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.2	34.1	-172	-59.8	-11.6	0	0	0	113.8	L843 I944	L843-N942 HydrophobicContact CD1-CB 4.31Å; L843-N942 HydrophobicContact CD2-CB 3.69Å; L843-N942 WeakPolarHBondContact CD2-O 3.39Å; L843-N942 HydrophobicContact CG-CB 4.11Å; N942-I944 VanDerWaalsContact C-N 3.34Å
943	G	70.7	Confident	79.4	Confident	64 Å²	64	78.1 Å²	78.1	66%	0.66	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.1	1.2	-177.3	0	0	0	0	0	115.6	F941	F941-G943 PolarHBondContact O-N 3.36Å; F941-G943 VanDerWaalsContact O-N 3.08Å
944	I	78.8	Confident	79	Confident	11 Å²	11	82.3 Å²	82.3	6%	0.056	43%	0.429	C	S	.	.	B	Isolated β-bridge	trans	-94.2	121.4	173.6	-65.3	150.9	0	0	0	109.7	Y842 L843 V846 M873 S940 F941 N942 M946	Y842-I944 HydrophobicContact CD1-CD1 4.28Å; Y842-I944 HydrophobicContact CE1-CD1 3.52Å; L843-I944 HydrophobicContact CD2-CD1 3.61Å; L843-I944 HydrophobicContact CD2-CG1 4.44Å; V846-I944 HydrophobicContact CB-CD1 4.08Å; V846-I944 HydrophobicContact CG1-CD1 3.64Å; V846-I944 HydrophobicContact CG1-CG1 4.32Å; V846-I944 HydrophobicContact CG2-CD1 4.4Å; M873-I944 HydrophobicContact CE-CG2 4.03Å; M873-I944 HydrophobicContact CG-CG2 3.94Å; S940-I944 CarbonylContact C-O 3.58Å; S940-I944 VanDerWaalsContact CA-O 3.25Å; S940-I944 WeakPolarHBondContact CA-O 3.47Å; S940-I944 VanDerWaalsContact CB-C 3.48Å; S940-I944 WeakPolarHBondContact CB-O 3.45Å; F941-I944 PolarHBondContact N-O 2.62Å; F941-I944 WeakPolarHBondContact O-CB 3.3Å; F941-I944 PolarHBondContact O-N 2.88Å; N942-I944 VanDerWaalsContact C-N 3.34Å; I944-M946 HydrophobicContact CG2-SD 4.35Å; I944-M946 PolarHBondContact O-N 3.5Å
945	A	80.5	Confident	78.9	Confident	66 Å²	66	84.1 Å²	84.1	55%	0.545	44%	0.436	S	S	.	.	P	Polyproline II helix	trans	-66.3	117.8	176.7	0	0	0	0	0	110.8	M873	M873-A945 WeakPolarHBondContact CE-O 3.39Å
946	M	82	Confident	79	Confident	23 Å²	23	78.2 Å²	78.2	11%	0.113	41%	0.408	C	S	.	.	P	Polyproline II helix	trans	-86.6	150	-175.2	-59.3	-58.7	-77.9	0	0	112.1	M873 Y875 I878 F937 F941 I944	M873-M946 WeakPolarHBondContact O-CA 3.5Å; Y875-M946 HydrophobicContact CD2-CB 4.34Å; I878-M946 HydrophobicContact CB-CE 4.18Å; I878-M946 HydrophobicContact CG1-CE 3.69Å; F937-M946 HydrophobicContact CE2-CB 4.32Å; F937-M946 HydrophobicContact CE2-CG 3.94Å; F941-M946 HydrophobicContact CB-CG 3.76Å; F941-M946 HydrophobicContact CB-SD 3.88Å; I944-M946 HydrophobicContact CG2-SD 4.35Å; I944-M946 PolarHBondContact O-N 3.5Å
947	K	81.3	Confident	79.4	Confident	87 Å²	87	77.3 Å²	77.3	38%	0.378	40%	0.402	S	S	.	.	B	Isolated β-bridge	trans	-94.9	162.3	-179.6	-65.5	173.7	-177.2	169.8	0	111.5	M873 Y875 L949	M873-K947 HydrophobicContact CB-CD 4.38Å; M873-K947 PolarHBondContact O-N 3.29Å; Y875-K947 VanDerWaalsContact CB-O 3.23Å; Y875-K947 WeakPolarHBondContact CB-O 3.41Å; Y875-K947 PolarHBondContact N-O 3Å; K947-L949 PolarHBondContact O-N 3.13Å
948	N	78	Confident	79.8	Confident	108 Å²	108	78.3 Å²	78.3	58%	0.578	41%	0.412	S	S	*	.	S	Bend	trans	62	-5.4	172.3	-56.7	-35.4	0	0	0	117.9	D874 R950 V951 A952	D874-N948 PolarHBondContact OD1-ND2 3.5Å; N948-R950 PolarHBondContact O-N 3.15Å; N948-V951 PolarHBondContact O-N 3.42Å; N948-A952 PolarHBondContact O-N 2.9Å
949	L	80.2	Confident	80.6	Confident	59 Å²	59	69 Å²	69	31%	0.309	38%	0.378	S	S	.	.	H	α-helix	trans	-22.9	-67.3	-175.9	-178.5	59.7	0	0	0	116	Y875 F937 K947 V951 A952 E953	Y875-L949 HydrophobicContact CD1-CD1 3.75Å; Y875-L949 HydrophobicContact CD2-CD1 3.65Å; Y875-L949 HydrophobicContact CE1-CD1 3.66Å; Y875-L949 HydrophobicContact CE2-CD1 3.55Å; Y875-L949 HydrophobicContact CG-CD1 3.73Å; F937-L949 HydrophobicContact CE1-CD1 3.78Å; F937-L949 HydrophobicContact CE1-CD2 4.26Å; F937-L949 HydrophobicContact CZ-CD1 3.72Å; F937-L949 HydrophobicContact CZ-CD2 4.05Å; K947-L949 PolarHBondContact O-N 3.13Å; L949-V951 VanDerWaalsContact C-N 3.29Å; L949-V951 PolarHBondContact O-N 2.95Å; L949-A952 PolarHBondContact O-N 3.27Å; L949-E953 WeakPolarHBondContact O-CB 3.32Å; L949-E953 PolarHBondContact O-N 3.23Å
950	R	77.8	Confident	81.9	Confident	229 Å²	229	61.3 Å²	61.3	86%	0.864	34%	0.341	S	S	*	.	H	α-helix	trans	-61.8	-31.6	-174.1	-64.9	-174.8	-177.4	-179.9	0.7	114.3	N948	N948-R950 PolarHBondContact O-N 3.15Å
951	V	80.9	Confident	82.8	Confident	90 Å²	90	63.7 Å²	63.7	55%	0.545	35%	0.348	S	S	.	.	H	α-helix	trans	-89.1	-30.7	-179.4	179.7	0	0	0	0	111	N948 L949 K955	N948-V951 PolarHBondContact O-N 3.42Å; L949-V951 VanDerWaalsContact C-N 3.29Å; L949-V951 PolarHBondContact O-N 2.95Å; V951-K955 HydrophobicContact CG1-CD 4.48Å; V951-K955 WeakPolarHBondContact O-CD 3.23Å; V951-K955 WeakPolarHBondContact O-CG 3.39Å
952	A	80.2	Confident	83.6	Confident	3 Å²	3	67.9 Å²	67.9	3%	0.025	37%	0.366	C	S	.	.	H	α-helix	trans	-66.5	-50.3	172.3	0	0	0	0	0	111	Y875 Q876 N948 L949 A954 K955 F956	Y875-A952 HydrophobicContact CD1-CB 3.85Å; Q876-A952 HydrophobicContact CB-CB 3.73Å; Q876-A952 HydrophobicContact CG-CB 4.27Å; N948-A952 PolarHBondContact O-N 2.9Å; L949-A952 PolarHBondContact O-N 3.27Å; A952-A954 PolarHBondContact O-N 2.91Å; A952-K955 CarbonylContact O-C 3.51Å; A952-K955 PolarHBondContact O-N 3.33Å; A952-F956 WeakPolarHBondContact O-CB 3.42Å; A952-F956 PolarHBondContact O-N 2.75Å
953	E	83.5	Confident	84.5	Confident	79 Å²	79	64.5 Å²	64.5	37%	0.369	35%	0.348	S	S	.	.	H	α-helix	trans	-62.9	-44.3	-175.8	-171.2	63.4	179.7	0	0	112.4	Y875 K879 L949 K955 F956	Y875-E953 HydrophobicContact CE1-CB 4.43Å; Y875-E953 WeakPolarHBondContact CE1-OE2 3.45Å; K879-E953 IonicContact NZ-OE1 2.86Å; K879-E953 PolarHBondContact NZ-OE1 3.43Å; K879-E953 IonicContact NZ-OE2 2.75Å; K879-E953 PolarHBondContact NZ-OE2 3.44Å; L949-E953 WeakPolarHBondContact O-CB 3.32Å; L949-E953 PolarHBondContact O-N 3.23Å; E953-K955 PolarHBondContact O-N 2.93Å; E953-F956 PolarHBondContact O-N 3.22Å; E953-F956 VanDerWaalsContact O-N 3.14Å
954	A	81.4	Confident	85.7	Confident	89 Å²	89	61.5 Å²	61.5	74%	0.736	32%	0.316	S	S	*	.	H	α-helix	trans	-63.2	-13.3	175.1	0	0	0	0	0	114.4	A952	A952-A954 PolarHBondContact O-N 2.91Å
955	K	87.1	Confident	86.4	Confident	113 Å²	113	66.9 Å²	66.9	49%	0.491	34%	0.341	S	S	.	.	H	α-helix	trans	-104	-27.4	173.9	-68.7	174.6	-176.9	178.2	0	113.1	V951 A952 E953 Q957 S958 I959	V951-K955 HydrophobicContact CG1-CD 4.48Å; V951-K955 WeakPolarHBondContact O-CD 3.23Å; V951-K955 WeakPolarHBondContact O-CG 3.39Å; A952-K955 CarbonylContact O-C 3.51Å; A952-K955 PolarHBondContact O-N 3.33Å; E953-K955 PolarHBondContact O-N 2.93Å; K955-Q957 PolarHBondContact O-N 3.22Å; K955-S958 PolarHBondContact O-N 3.49Å; K955-S958 VanDerWaalsContact O-N 3.1Å; K955-I959 PolarHBondContact O-N 3.49Å
956	F	89.9	Confident	86.9	Confident	5 Å²	5	67 Å²	67	2%	0.022	33%	0.33	C	S	.	.	H	α-helix	trans	-58	-45.9	-169.6	-179.3	-100.6	0	0	0	111.9	K879 F883 L930 A952 E953 S958 I959 R960	K879-F956 HydrophobicContact CB-CD2 4.41Å; K879-F956 HydrophobicContact CB-CE2 4.15Å; K879-F956 HydrophobicContact CD-CD1 3.88Å; K879-F956 HydrophobicContact CD-CD2 4.03Å; K879-F956 HydrophobicContact CD-CE1 3.95Å; K879-F956 HydrophobicContact CD-CE2 4.1Å; K879-F956 HydrophobicContact CD-CG 3.93Å; K879-F956 HydrophobicContact CD-CZ 4.07Å; K879-F956 HydrophobicContact CG-CD1 4.44Å; K879-F956 HydrophobicContact CG-CD2 4.08Å; K879-F956 HydrophobicContact CG-CE1 4.09Å; K879-F956 HydrophobicContact CG-CE2 3.7Å; K879-F956 HydrophobicContact CG-CG 4.44Å; K879-F956 HydrophobicContact CG-CZ 3.71Å; F883-F956 HydrophobicContact CB-CE2 4.42Å; F883-F956 HydrophobicContact CB-CZ 3.82Å; F883-F956 HydrophobicContact CD1-CZ 4.44Å; F883-F956 HydrophobicContact CG-CZ 4.1Å; L930-F956 HydrophobicContact CD1-CE1 4.36Å; L930-F956 HydrophobicContact CD1-CZ 4.15Å; L930-F956 HydrophobicContact CD2-CE1 3.99Å; L930-F956 HydrophobicContact CD2-CZ 4.16Å; A952-F956 WeakPolarHBondContact O-CB 3.42Å; A952-F956 PolarHBondContact O-N 2.75Å; E953-F956 PolarHBondContact O-N 3.22Å; E953-F956 VanDerWaalsContact O-N 3.14Å; F956-S958 VanDerWaalsContact C-N 3.3Å; F956-S958 PolarHBondContact O-N 3.16Å; F956-I959 WeakPolarHBondContact O-CA 3.42Å; F956-I959 WeakPolarHBondContact O-CB 3.2Å; F956-I959 PolarHBondContact O-N 3.13Å; F956-R960 HydrophobicContact CE1-CB 4.37Å; F956-R960 HydrophobicContact CE1-CG 4.47Å; F956-R960 WeakPolarHBondContact O-CB 3.45Å; F956-R960 PolarHBondContact O-N 3.3Å
957	Q	90.3	Very high	87.5	Confident	64 Å²	64	65.9 Å²	65.9	30%	0.299	32%	0.324	S	S	.	.	H	α-helix	trans	-57.1	-39.9	177.8	-176.9	57.9	25.6	0	0	112.6	A923 K955 I959 R960 E961	A923-Q957 PolarHBondContact O-NE2 3.4Å; K955-Q957 PolarHBondContact O-N 3.22Å; Q957-I959 VanDerWaalsContact C-N 3.35Å; Q957-I959 PolarHBondContact O-N 2.83Å; Q957-R960 WeakPolarHBondContact O-CB 3.3Å; Q957-R960 PolarHBondContact O-N 3.33Å; Q957-R960 VanDerWaalsContact OE1-CD 3.31Å; Q957-E961 VanDerWaalsContact CG-OE1 3.31Å; Q957-E961 WeakPolarHBondContact CG-OE1 3.2Å; Q957-E961 PolarHBondContact NE2-OE1 2.93Å; Q957-E961 WeakPolarHBondContact O-CB 3.28Å; Q957-E961 VanDerWaalsContact O-CG 3.25Å; Q957-E961 WeakPolarHBondContact O-CG 3.25Å; Q957-E961 PolarHBondContact O-N 3.01Å
958	S	90.4	Very high	88.1	Confident	49 Å²	49	63.9 Å²	63.9	34%	0.343	32%	0.316	S	S	.	.	H	α-helix	trans	-72.8	-24	176.3	-171.8	0	0	0	0	113.7	K955 F956 K962	K955-S958 PolarHBondContact O-N 3.49Å; K955-S958 VanDerWaalsContact O-N 3.1Å; F956-S958 VanDerWaalsContact C-N 3.3Å; F956-S958 PolarHBondContact O-N 3.16Å; S958-K962 WeakPolarHBondContact O-CD 3.3Å; S958-K962 WeakPolarHBondContact O-CG 3.29Å; S958-K962 PolarHBondContact OG-NZ 2.86Å; S958-K962 VanDerWaalsContact OG-NZ 3.08Å
959	I	91.5	Very high	88.8	Confident	17 Å²	17	62 Å²	62	9%	0.087	31%	0.308	C	S	.	.	H	α-helix	trans	-73.9	-48.5	171.8	-66.4	167	0	0	0	109	L778 Q876 L880 K955 F956 Q957 K962 I963	L778-I959 HydrophobicContact CD2-CG2 4.28Å; Q876-I959 HydrophobicContact CG-CD1 4.49Å; L880-I959 HydrophobicContact CD1-CG2 4.1Å; K955-I959 PolarHBondContact O-N 3.49Å; F956-I959 WeakPolarHBondContact O-CA 3.42Å; F956-I959 WeakPolarHBondContact O-CB 3.2Å; F956-I959 PolarHBondContact O-N 3.13Å; Q957-I959 VanDerWaalsContact C-N 3.35Å; Q957-I959 PolarHBondContact O-N 2.83Å; I959-K962 PolarHBondContact O-N 2.85Å; I959-I963 HydrophobicContact CG2-CD1 3.74Å; I959-I963 HydrophobicContact CG2-CG1 4.48Å; I959-I963 WeakPolarHBondContact O-CG1 3.2Å; I959-I963 PolarHBondContact O-N 3.19Å
960	R	93.1	Very high	89.2	Confident	18 Å²	18	59.8 Å²	59.8	7%	0.068	30%	0.297	C	S	.	.	H	α-helix	trans	-55.2	-53	177.9	-173.6	-166.6	179.6	-160.7	-3.4	112.4	F883 L922 A923 D924 S925 F956 Q957 K962 I963 C964	F883-R960 HydrophobicContact CD1-CG 4.49Å; F883-R960 HydrophobicContact CD2-CG 4.1Å; F883-R960 HydrophobicContact CE1-CB 4.26Å; F883-R960 HydrophobicContact CE1-CG 4.01Å; F883-R960 HydrophobicContact CE2-CG 3.56Å; F883-R960 HydrophobicContact CZ-CB 4.2Å; F883-R960 HydrophobicContact CZ-CG 3.51Å; L922-R960 VanDerWaalsContact O-CZ 3.28Å; L922-R960 PolarHBondContact O-NE 3.49Å; L922-R960 PolarHBondContact O-NH2 3.39Å; A923-R960 PolarHBondContact O-NE 3.4Å; A923-R960 PolarHBondContact O-NH1 2.89Å; A923-R960 VanDerWaalsContact O-NH1 3.13Å; D924-R960 PolarHBondContact O-NH1 3.48Å; D924-R960 PolarHBondContact O-NH2 3.02Å; S925-R960 PolarHBondContact O-NH2 3.02Å; F956-R960 HydrophobicContact CE1-CB 4.37Å; F956-R960 HydrophobicContact CE1-CG 4.47Å; F956-R960 WeakPolarHBondContact O-CB 3.45Å; F956-R960 PolarHBondContact O-N 3.3Å; Q957-R960 WeakPolarHBondContact O-CB 3.3Å; Q957-R960 PolarHBondContact O-N 3.33Å; Q957-R960 VanDerWaalsContact OE1-CD 3.31Å; R960-K962 VanDerWaalsContact C-N 3.34Å; R960-K962 PolarHBondContact O-N 3.38Å; R960-I963 PolarHBondContact O-N 3.34Å; R960-C964 PolarHBondContact O-N 2.99Å
961	E	92.5	Very high	89.9	Confident	91 Å²	91	48.9 Å²	48.9	43%	0.425	26%	0.256	S	S	.	.	H	α-helix	trans	-54.7	-45.5	175.4	-76	163.1	-174	0	0	112.5	Q957 C964 Q965	Q957-E961 VanDerWaalsContact CG-OE1 3.31Å; Q957-E961 WeakPolarHBondContact CG-OE1 3.2Å; Q957-E961 PolarHBondContact NE2-OE1 2.93Å; Q957-E961 WeakPolarHBondContact O-CB 3.28Å; Q957-E961 VanDerWaalsContact O-CG 3.25Å; Q957-E961 WeakPolarHBondContact O-CG 3.25Å; Q957-E961 PolarHBondContact O-N 3.01Å; E961-C964 PolarHBondContact O-N 3.2Å; E961-Q965 VanDerWaalsContact O-CB 3.23Å; E961-Q965 WeakPolarHBondContact O-CB 3.36Å; E961-Q965 PolarHBondContact O-N 2.69Å
962	K	91.8	Very high	90.3	Very high	89 Å²	89	46.7 Å²	46.7	39%	0.387	25%	0.247	S	C	.	.	H	α-helix	trans	-65.1	-43.6	179.1	-74.2	168.1	-170.6	148.3	0	112.1	L778 S958 I959 R960 Q965 K966	L778-K962 HydrophobicContact CD2-CB 4.35Å; L778-K962 HydrophobicContact CD2-CD 4.09Å; S958-K962 WeakPolarHBondContact O-CD 3.3Å; S958-K962 WeakPolarHBondContact O-CG 3.29Å; S958-K962 PolarHBondContact OG-NZ 2.86Å; S958-K962 VanDerWaalsContact OG-NZ 3.08Å; I959-K962 PolarHBondContact O-N 2.85Å; R960-K962 VanDerWaalsContact C-N 3.34Å; R960-K962 PolarHBondContact O-N 3.38Å; K962-Q965 PolarHBondContact O-N 2.74Å; K962-K966 VanDerWaalsContact O-CB 3.27Å; K962-K966 WeakPolarHBondContact O-CB 3.39Å; K962-K966 WeakPolarHBondContact O-CG 3.45Å; K962-K966 PolarHBondContact O-N 2.89Å
963	I	93.6	Very high	90.7	Very high	1 Å²	1	52.1 Å²	52.1	1%	0.005	27%	0.272	C	S	.	.	H	α-helix	trans	-61.6	-48	177.4	-67.6	170.4	0	0	0	109.7	I773 L778 L880 F883 L884 V887 I959 R960 T967	I773-I963 HydrophobicContact CD1-CG1 4.29Å; I773-I963 HydrophobicContact CD1-CG2 4.44Å; L778-I963 HydrophobicContact CD1-CD1 4.21Å; L778-I963 HydrophobicContact CD1-CG1 3.51Å; L880-I963 HydrophobicContact CD1-CD1 3.9Å; F883-I963 HydrophobicContact CD1-CD1 4.32Å; F883-I963 HydrophobicContact CE1-CB 3.91Å; F883-I963 HydrophobicContact CE1-CD1 3.87Å; F883-I963 HydrophobicContact CE1-CG1 4.47Å; F883-I963 HydrophobicContact CE1-CG2 3.83Å; F883-I963 HydrophobicContact CZ-CB 4.41Å; F883-I963 HydrophobicContact CZ-CG2 4.27Å; L884-I963 HydrophobicContact CD2-CD1 4.35Å; V887-I963 HydrophobicContact CG1-CG2 4.43Å; V887-I963 HydrophobicContact CG2-CG2 4.31Å; I959-I963 HydrophobicContact CG2-CD1 3.74Å; I959-I963 HydrophobicContact CG2-CG1 4.48Å; I959-I963 WeakPolarHBondContact O-CG1 3.2Å; I959-I963 PolarHBondContact O-N 3.19Å; R960-I963 PolarHBondContact O-N 3.34Å; I963-T967 WeakPolarHBondContact O-CB 3.36Å; I963-T967 PolarHBondContact O-N 3.42Å; I963-T967 PolarHBondContact O-OG1 2.89Å
964	C	95.3	Very high	90.9	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-62	-48.8	176.9	-74.2	0	0	0	0	112.5	I919 A923 R960 E961 K966 T967 Q968	I919-C964 HydrophobicContact CG2-CB 4.03Å; I919-C964 WeakPolarHBondContact CG2-O 3.33Å; I919-C964 PolarHBondContact O-SG 3.17Å; A923-C964 HydrophobicContact CB-CB 3.88Å; R960-C964 PolarHBondContact O-N 2.99Å; E961-C964 PolarHBondContact O-N 3.2Å; C964-K966 PolarHBondContact O-N 2.9Å; C964-T967 PolarHBondContact O-N 2.68Å; C964-Q968 VanDerWaalsContact O-CG 3.3Å; C964-Q968 WeakPolarHBondContact O-CG 3.4Å; C964-Q968 PolarHBondContact O-N 3.47Å; C964-Q968 PolarHBondContact O-NE2 2.89Å
965	Q	93.6	Very high	91.2	Very high	124 Å²	124	44.8 Å²	44.8	58%	0.579	22%	0.222	S	C	*	.	H	α-helix	trans	-61.2	-47.1	-179.5	-174.3	-175.8	47.4	0	0	111.8	E961 K962 Q968 V969	E961-Q965 VanDerWaalsContact O-CB 3.23Å; E961-Q965 WeakPolarHBondContact O-CB 3.36Å; E961-Q965 PolarHBondContact O-N 2.69Å; K962-Q965 PolarHBondContact O-N 2.74Å; Q965-Q968 PolarHBondContact O-N 2.92Å; Q965-V969 WeakPolarHBondContact O-CG2 3.41Å; Q965-V969 PolarHBondContact O-N 2.93Å
966	K	91.4	Very high	91.2	Very high	68 Å²	68	40.2 Å²	40.2	30%	0.296	20%	0.203	S	C	.	.	H	α-helix	trans	-64.2	-41.9	177.9	-69.8	-82.7	176.9	153.3	0	111.4	I773 E777 K962 C964 V969 I970	I773-K966 HydrophobicContact CG2-CB 3.47Å; I773-K966 VanDerWaalsContact CG2-CB 3.47Å; I773-K966 HydrophobicContact CG2-CG 4.02Å; E777-K966 IonicContact OE1-NZ 3.13Å; E777-K966 PolarHBondContact OE1-NZ 2.69Å; E777-K966 WeakPolarHBondContact OE2-CE 3.2Å; E777-K966 IonicContact OE2-NZ 3.83Å; E777-K966 PolarHBondContact OE2-NZ 2.97Å; K962-K966 VanDerWaalsContact O-CB 3.27Å; K962-K966 WeakPolarHBondContact O-CB 3.39Å; K962-K966 WeakPolarHBondContact O-CG 3.45Å; K962-K966 PolarHBondContact O-N 2.89Å; C964-K966 PolarHBondContact O-N 2.9Å; K966-V969 PolarHBondContact O-N 3.48Å; K966-I970 WeakPolarHBondContact O-CD1 3.49Å; K966-I970 VanDerWaalsContact O-CG1 3.25Å; K966-I970 WeakPolarHBondContact O-CG1 3.31Å; K966-I970 PolarHBondContact O-N 3.41Å
967	T	93.4	Very high	91	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-60.2	-47.3	176.3	-62.3	0	0	0	0	111.8	I769 L891 I919 I963 C964 V969 I970 L971	I769-T967 HydrophobicContact CD1-CG2 3.93Å; I769-T967 WeakPolarHBondContact CG2-OG1 3.1Å; L891-T967 HydrophobicContact CD1-CG2 4.25Å; L891-T967 HydrophobicContact CD2-CG2 4.1Å; I919-T967 HydrophobicContact CB-CG2 4.4Å; I919-T967 HydrophobicContact CD1-CG2 4.06Å; I919-T967 HydrophobicContact CG1-CG2 3.87Å; I919-T967 HydrophobicContact CG2-CG2 3.75Å; I963-T967 WeakPolarHBondContact O-CB 3.36Å; I963-T967 PolarHBondContact O-N 3.42Å; I963-T967 PolarHBondContact O-OG1 2.89Å; C964-T967 PolarHBondContact O-N 2.68Å; T967-V969 PolarHBondContact O-N 2.88Å; T967-I970 PolarHBondContact O-N 3.37Å; T967-L971 HydrophobicContact CG2-CD1 4.17Å; T967-L971 WeakPolarHBondContact O-CB 3.27Å; T967-L971 WeakPolarHBondContact O-CG 3.15Å; T967-L971 PolarHBondContact O-N 3.39Å
968	Q	94.4	Very high	90.8	Very high	46 Å²	46	46.5 Å²	46.5	22%	0.215	24%	0.238	C	C	.	.	H	α-helix	trans	-58.7	-45.6	175.7	-70.9	171.1	55.2	0	0	111.9	I916 I919 C964 Q965 I970 L971 A972	I916-Q968 HydrophobicContact CG2-CB 4.31Å; I916-Q968 HydrophobicContact CG2-CG 4.11Å; I919-Q968 HydrophobicContact CB-CG 4.22Å; I919-Q968 HydrophobicContact CG2-CG 3.85Å; C964-Q968 VanDerWaalsContact O-CG 3.3Å; C964-Q968 WeakPolarHBondContact O-CG 3.4Å; C964-Q968 PolarHBondContact O-N 3.47Å; C964-Q968 PolarHBondContact O-NE2 2.89Å; Q965-Q968 PolarHBondContact O-N 2.92Å; Q968-I970 PolarHBondContact O-N 2.84Å; Q968-L971 PolarHBondContact O-N 3.38Å; Q968-A972 WeakPolarHBondContact O-CB 3.11Å; Q968-A972 PolarHBondContact O-N 3.45Å
969	V	92.1	Very high	90.8	Very high	68 Å²	68	44.2 Å²	44.2	41%	0.412	22%	0.222	S	C	.	.	H	α-helix	trans	-62.2	-42.8	178.2	169.7	0	0	0	0	111.6	Q965 K966 T967 A972 Q973	Q965-V969 WeakPolarHBondContact O-CG2 3.41Å; Q965-V969 PolarHBondContact O-N 2.93Å; K966-V969 PolarHBondContact O-N 3.48Å; T967-V969 PolarHBondContact O-N 2.88Å; V969-A972 PolarHBondContact O-N 3.44Å; V969-Q973 HydrophobicContact CG1-CG 4.36Å; V969-Q973 VanDerWaalsContact O-CB 3.3Å; V969-Q973 WeakPolarHBondContact O-CB 3.34Å; V969-Q973 WeakPolarHBondContact O-CG 3.47Å; V969-Q973 PolarHBondContact O-N 3.03Å
970	I	89.8	Confident	90.8	Very high	12 Å²	12	46 Å²	46	6%	0.062	23%	0.228	C	C	.	.	H	α-helix	trans	-67.8	-41	179.1	-66.8	161.2	0	0	0	111.2	I769 A772 K966 T967 Q968 Q973 R974	I769-I970 HydrophobicContact CB-CD1 4.45Å; I769-I970 HydrophobicContact CG1-CB 4.2Å; I769-I970 HydrophobicContact CG1-CD1 4.04Å; I769-I970 HydrophobicContact CG1-CG2 3.8Å; A772-I970 HydrophobicContact CB-CD1 3.62Å; K966-I970 WeakPolarHBondContact O-CD1 3.49Å; K966-I970 VanDerWaalsContact O-CG1 3.25Å; K966-I970 WeakPolarHBondContact O-CG1 3.31Å; K966-I970 PolarHBondContact O-N 3.41Å; T967-I970 PolarHBondContact O-N 3.37Å; Q968-I970 PolarHBondContact O-N 2.84Å; I970-Q973 PolarHBondContact O-N 2.94Å; I970-R974 WeakPolarHBondContact O-CG 3.42Å; I970-R974 PolarHBondContact O-N 3.36Å
971	L	91	Very high	90.7	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-61.7	-47.1	174	-73.8	176.1	0	0	0	111.6	M761 L891 L894 I916 I919 T967 Q968 Q973 R974	M761-L971 HydrophobicContact CE-CD2 3.92Å; L891-L971 HydrophobicContact CD2-CD1 3.94Å; L891-L971 HydrophobicContact CD2-CD2 3.84Å; L891-L971 HydrophobicContact CD2-CG 4.18Å; L894-L971 HydrophobicContact CD2-CD2 3.85Å; I916-L971 HydrophobicContact CD1-CB 4.03Å; I916-L971 HydrophobicContact CG1-CB 3.72Å; I916-L971 HydrophobicContact CG1-CD1 4.02Å; I919-L971 HydrophobicContact CG1-CD1 4.37Å; T967-L971 HydrophobicContact CG2-CD1 4.17Å; T967-L971 WeakPolarHBondContact O-CB 3.27Å; T967-L971 WeakPolarHBondContact O-CG 3.15Å; T967-L971 PolarHBondContact O-N 3.39Å; Q968-L971 PolarHBondContact O-N 3.38Å; L971-Q973 VanDerWaalsContact C-N 3.34Å; L971-Q973 PolarHBondContact O-N 2.91Å; L971-R974 WeakPolarHBondContact O-CB 3.5Å; L971-R974 PolarHBondContact O-N 2.74Å; L971-R974 VanDerWaalsContact O-N 3.17Å
972	A	90.6	Very high	90.6	Very high	45 Å²	45	45.9 Å²	45.9	37%	0.372	23%	0.23	S	C	.	.	H	α-helix	trans	-61.9	-40.7	176.4	0	0	0	0	0	112.1	I916 Q968 V969 R974 F975	I916-A972 HydrophobicContact CD1-CB 4.1Å; Q968-A972 WeakPolarHBondContact O-CB 3.11Å; Q968-A972 PolarHBondContact O-N 3.45Å; V969-A972 PolarHBondContact O-N 3.44Å; A972-R974 PolarHBondContact O-N 2.8Å; A972-F975 PolarHBondContact O-N 3.47Å; A972-F975 VanDerWaalsContact O-N 3.17Å
973	Q	88.4	Confident	90.6	Very high	116 Å²	116	41.6 Å²	41.6	54%	0.542	21%	0.211	S	C	.	.	H	α-helix	trans	-69	-12.6	177.2	-75.7	175.9	2	0	0	114.3	A738 V969 I970 L971 F975	A738-Q973 HydrophobicContact CB-CB 4.46Å; V969-Q973 HydrophobicContact CG1-CG 4.36Å; V969-Q973 VanDerWaalsContact O-CB 3.3Å; V969-Q973 WeakPolarHBondContact O-CB 3.34Å; V969-Q973 WeakPolarHBondContact O-CG 3.47Å; V969-Q973 PolarHBondContact O-N 3.03Å; I970-Q973 PolarHBondContact O-N 2.94Å; L971-Q973 VanDerWaalsContact C-N 3.34Å; L971-Q973 PolarHBondContact O-N 2.91Å; Q973-F975 VanDerWaalsContact C-N 3.3Å
974	R	86.9	Confident	90.5	Very high	1 Å²	1	46.1 Å²	46.1	0%	0.004	23%	0.231	C	C	.	.	H	α-helix	trans	-69.8	-28.1	170.1	-64.6	-139.8	-176.2	-141.2	-4	112.7	D732 P759 E768 I970 L971 A972	D732-R974 IonicContact OD1-CZ 3.18Å; D732-R974 IonicContact OD1-NH1 2.79Å; D732-R974 PolarHBondContact OD1-NH1 2.76Å; P759-R974 HydrophobicContact CB-CB 4.15Å; E768-R974 IonicContact OE2-CZ 3.2Å; E768-R974 IonicContact OE2-NE 3.3Å; E768-R974 IonicContact OE2-NH1 3.68Å; E768-R974 IonicContact OE2-NH2 2.69Å; E768-R974 PolarHBondContact OE2-NH2 2.93Å; I970-R974 WeakPolarHBondContact O-CG 3.42Å; I970-R974 PolarHBondContact O-N 3.36Å; L971-R974 WeakPolarHBondContact O-CB 3.5Å; L971-R974 PolarHBondContact O-N 2.74Å; L971-R974 VanDerWaalsContact O-N 3.17Å; A972-R974 PolarHBondContact O-N 2.8Å
975	F	88.4	Confident	90.3	Very high	13 Å²	13	46.2 Å²	46.2	6%	0.057	23%	0.231	C	C	.	.	S	Bend	trans	-94.4	113.7	179.3	-146.7	149.2	0	0	0	110.4	P759 V908 D909 I912 A972 Q973 S977 R980 V983	P759-F975 HydrophobicContact CG-CB 4.25Å; P759-F975 HydrophobicContact CG-CD1 3.73Å; P759-F975 HydrophobicContact CG-CD2 4.12Å; P759-F975 HydrophobicContact CG-CE1 3.96Å; P759-F975 HydrophobicContact CG-CE2 4.31Å; P759-F975 HydrophobicContact CG-CG 3.79Å; P759-F975 HydrophobicContact CG-CZ 4.23Å; V908-F975 HydrophobicContact CG1-CE1 4Å; V908-F975 HydrophobicContact CG1-CZ 4.21Å; D909-F975 HydrophobicContact CB-CE1 3.81Å; D909-F975 WeakPolarHBondContact OD1-CD1 3.19Å; D909-F975 WeakPolarHBondContact OD1-CE1 3.22Å; I912-F975 HydrophobicContact CD1-CD1 4.2Å; A972-F975 PolarHBondContact O-N 3.47Å; A972-F975 VanDerWaalsContact O-N 3.17Å; Q973-F975 VanDerWaalsContact C-N 3.3Å; F975-S977 PolarHBondContact O-N 3.49Å; F975-R980 HydrophobicContact CD1-CB 4.42Å; F975-R980 HydrophobicContact CD1-CG 4.09Å; F975-R980 HydrophobicContact CD2-CB 3.85Å; F975-R980 HydrophobicContact CD2-CG 4.41Å; F975-R980 HydrophobicContact CE1-CG 4.2Å; F975-R980 HydrophobicContact CE2-CB 3.98Å; F975-R980 HydrophobicContact CG-CB 4.12Å; F975-R980 HydrophobicContact CG-CG 4.23Å; F975-R980 HydrophobicContact CZ-CB 4.33Å; F975-R980 HydrophobicContact CZ-CG 4.43Å; F975-V983 HydrophobicContact CE1-CG1 4.28Å; F975-V983 HydrophobicContact CE2-CG2 4.34Å; F975-V983 HydrophobicContact CZ-CB 3.72Å; F975-V983 HydrophobicContact CZ-CG1 3.85Å; F975-V983 HydrophobicContact CZ-CG2 3.79Å
976	D	86.9	Confident	90.2	Very high	18 Å²	18	40.4 Å²	40.4	10%	0.096	20%	0.204	C	C	.	.			trans	-58.9	127.6	167.2	172.3	82.5	0	0	0	111.7	F745 R749 C757 R978 S979 R980	F745-D976 HydrophobicContact CD2-CB 4.37Å; R749-D976 IonicContact CZ-OD1 2.74Å; R749-D976 IonicContact CZ-OD2 2.59Å; R749-D976 VanDerWaalsContact CZ-OD2 3.25Å; R749-D976 IonicContact NH1-OD1 3.81Å; R749-D976 PolarHBondContact NH1-OD1 3.39Å; R749-D976 IonicContact NH1-OD2 3.82Å; R749-D976 PolarHBondContact NH1-OD2 2.99Å; R749-D976 IonicContact NH2-OD1 2.7Å; R749-D976 IonicContact NH2-OD2 3.2Å; R749-D976 PolarHBondContact NH2-OD2 3.18Å; C757-D976 HydrophobicContact CB-CB 4.16Å; D976-R978 VanDerWaalsContact C-N 3.31Å; D976-R978 PolarHBondContact O-N 3.05Å; D976-R978 WeakPolarHBondContact OD2-CB 3.1Å; D976-R978 PolarHBondContact OD2-N 3.03Å; D976-R978 VanDerWaalsContact OD2-N 3.13Å; D976-S979 PolarHBondContact O-N 2.9Å; D976-S979 PolarHBondContact OD2-N 3.19Å; D976-R980 PolarHBondContact O-N 3.43Å
977	S	86.1	Confident	90	Very high	91 Å²	91	40 Å²	40	64%	0.636	20%	0.203	S	C	*	.	H	α-helix	trans	-63.6	-31.1	-173	56.2	0	0	0	0	114.3	F975 R980 I981	F975-S977 PolarHBondContact O-N 3.49Å; S977-R980 PolarHBondContact O-N 3.39Å; S977-I981 PolarHBondContact O-N 3.28Å
978	R	85.5	Confident	89.8	Confident	110 Å²	110	40 Å²	40	42%	0.415	20%	0.204	S	C	.	.	H	α-helix	trans	-73.6	-39	177.2	-176.7	176.7	173.4	-141.3	-3.6	111.3	P753 D976	P753-R978 VanDerWaalsContact O-CZ 3.29Å; P753-R978 PolarHBondContact O-NH1 2.93Å; P753-R978 PolarHBondContact O-NH2 3.26Å; D976-R978 VanDerWaalsContact C-N 3.31Å; D976-R978 PolarHBondContact O-N 3.05Å; D976-R978 WeakPolarHBondContact OD2-CB 3.1Å; D976-R978 PolarHBondContact OD2-N 3.03Å; D976-R978 VanDerWaalsContact OD2-N 3.13Å
979	S	90.9	Very high	89.4	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-71.7	-29.5	172.4	-72.6	0	0	0	0	112.9	R749 L756 C757 D976 I981 F982 V983	R749-S979 PolarHBondContact NH2-OG 3.02Å; R749-S979 VanDerWaalsContact NH2-OG 3.07Å; L756-S979 VanDerWaalsContact CA-OG 3.3Å; L756-S979 WeakPolarHBondContact CA-OG 3.28Å; L756-S979 WeakPolarHBondContact CD2-OG 3.42Å; C757-S979 PolarHBondContact N-OG 2.78Å; C757-S979 VanDerWaalsContact O-CB 3.32Å; C757-S979 WeakPolarHBondContact O-CB 3.26Å; D976-S979 PolarHBondContact O-N 2.9Å; D976-S979 PolarHBondContact OD2-N 3.19Å; S979-I981 VanDerWaalsContact C-N 3.31Å; S979-I981 PolarHBondContact O-N 3.32Å; S979-F982 PolarHBondContact O-N 3.04Å; S979-V983 WeakPolarHBondContact O-CG2 3.45Å; S979-V983 PolarHBondContact O-N 2.62Å
980	R	90.7	Very high	88.9	Confident	55 Å²	55	36.4 Å²	36.4	21%	0.208	18%	0.184	C	C	.	.	H	α-helix	trans	-60.1	-38.8	174.8	-165.9	174.1	-176.2	176.1	4.4	112.4	D909 E913 F975 D976 S977 V983 K984	D909-R980 VanDerWaalsContact CG-NH2 3.31Å; D909-R980 WeakPolarHBondContact OD1-CD 3.49Å; D909-R980 WeakPolarHBondContact OD1-CG 3.39Å; D909-R980 IonicContact OD1-CZ 2.83Å; D909-R980 IonicContact OD1-NE 3.83Å; D909-R980 PolarHBondContact OD1-NE 3.22Å; D909-R980 IonicContact OD1-NH2 2.83Å; D909-R980 PolarHBondContact OD1-NH2 3.01Å; D909-R980 IonicContact OD2-CZ 3.46Å; D909-R980 VanDerWaalsContact OD2-CZ 3.3Å; D909-R980 IonicContact OD2-NE 3.33Å; D909-R980 PolarHBondContact OD2-NE 3.15Å; D909-R980 IonicContact OD2-NH2 2.8Å; D909-R980 PolarHBondContact OD2-NH2 3.17Å; E913-R980 IonicContact OE2-CZ 3.43Å; E913-R980 IonicContact OE2-NH1 2.6Å; E913-R980 PolarHBondContact OE2-NH1 3.39Å; E913-R980 IonicContact OE2-NH2 3.28Å; E913-R980 PolarHBondContact OE2-NH2 3.31Å; F975-R980 HydrophobicContact CD1-CB 4.42Å; F975-R980 HydrophobicContact CD1-CG 4.09Å; F975-R980 HydrophobicContact CD2-CB 3.85Å; F975-R980 HydrophobicContact CD2-CG 4.41Å; F975-R980 HydrophobicContact CE1-CG 4.2Å; F975-R980 HydrophobicContact CE2-CB 3.98Å; F975-R980 HydrophobicContact CG-CB 4.12Å; F975-R980 HydrophobicContact CG-CG 4.23Å; F975-R980 HydrophobicContact CZ-CB 4.33Å; F975-R980 HydrophobicContact CZ-CG 4.43Å; D976-R980 PolarHBondContact O-N 3.43Å; S977-R980 PolarHBondContact O-N 3.39Å; R980-V983 PolarHBondContact O-N 2.9Å; R980-K984 WeakPolarHBondContact O-CG 3.35Å; R980-K984 PolarHBondContact O-N 2.86Å
981	I	90.7	Very high	88.5	Confident	100 Å²	100	37.1 Å²	37.1	51%	0.513	19%	0.187	S	C	.	.	H	α-helix	trans	-60.8	-51.8	175.7	-63.1	164.7	0	0	0	110.9	S977 S979 V983 K984 A985	S977-I981 PolarHBondContact O-N 3.28Å; S979-I981 VanDerWaalsContact C-N 3.31Å; S979-I981 PolarHBondContact O-N 3.32Å; I981-V983 VanDerWaalsContact C-N 3.3Å; I981-V983 PolarHBondContact O-N 2.83Å; I981-K984 PolarHBondContact O-N 2.89Å; I981-A985 PolarHBondContact O-N 2.88Å
982	F	91.9	Very high	87.9	Confident	6 Å²	6	41.7 Å²	41.7	3%	0.026	23%	0.225	C	C	.	.	H	α-helix	trans	-58.6	-41.9	178.3	178.8	-89.2	0	0	0	112.1	L756 S979 A985 C986 I1012 H1015 L1016 L1078 L1081	L756-F982 HydrophobicContact CD1-CD1 3.56Å; L756-F982 HydrophobicContact CD1-CD2 4.44Å; L756-F982 HydrophobicContact CD1-CE1 3.51Å; L756-F982 HydrophobicContact CD1-CE2 4.38Å; L756-F982 HydrophobicContact CD1-CG 4.05Å; L756-F982 HydrophobicContact CD1-CZ 3.94Å; L756-F982 HydrophobicContact CD2-CB 3.89Å; L756-F982 HydrophobicContact CD2-CD1 4.02Å; L756-F982 HydrophobicContact CD2-CG 3.91Å; L756-F982 HydrophobicContact CG-CD1 4.47Å; S979-F982 PolarHBondContact O-N 3.04Å; F982-A985 PolarHBondContact O-N 3.36Å; F982-C986 VanDerWaalsContact CE1-SG 3.57Å; F982-C986 PolarHBondContact O-N 3.32Å; F982-C986 VanDerWaalsContact O-N 3.07Å; F982-C986 PolarHBondContact O-SG 3.21Å; F982-I1012 HydrophobicContact CE2-CB 4.31Å; F982-I1012 HydrophobicContact CE2-CG1 4.27Å; F982-I1012 HydrophobicContact CE2-CG2 4Å; F982-I1012 HydrophobicContact CZ-CG2 4.4Å; F982-H1015 HydrophobicContact CD2-CB 3.66Å; F982-H1015 AromaticContact CD2-CD2 3.57Å; F982-H1015 AromaticContact CD2-CG 3.59Å; F982-H1015 HydrophobicContact CE2-CB 4.05Å; F982-H1015 AromaticContact CE2-CD2 3.59Å; F982-H1015 AromaticContact CE2-CG 4Å; F982-L1016 HydrophobicContact CE2-CG 4.39Å; F982-L1078 HydrophobicContact CE1-CD2 3.62Å; F982-L1078 HydrophobicContact CZ-CD2 3.73Å; F982-L1081 HydrophobicContact CE1-CD1 3.85Å
983	V	91.7	Very high	87.4	Confident	0 Å²	0	42 Å²	42	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-69.4	-37	179.5	167.4	0	0	0	0	112.6	L758 V905 V908 D909 F975 S979 R980 I981 C986	L758-V983 HydrophobicContact CD2-CG2 4.44Å; V905-V983 HydrophobicContact CG1-CG2 3.82Å; V905-V983 WeakPolarHBondContact O-CG1 3.27Å; V908-V983 HydrophobicContact CB-CG1 4.34Å; D909-V983 HydrophobicContact CB-CG1 4.12Å; F975-V983 HydrophobicContact CE1-CG1 4.28Å; F975-V983 HydrophobicContact CE2-CG2 4.34Å; F975-V983 HydrophobicContact CZ-CB 3.72Å; F975-V983 HydrophobicContact CZ-CG1 3.85Å; F975-V983 HydrophobicContact CZ-CG2 3.79Å; S979-V983 WeakPolarHBondContact O-CG2 3.45Å; S979-V983 PolarHBondContact O-N 2.62Å; R980-V983 PolarHBondContact O-N 2.9Å; I981-V983 VanDerWaalsContact C-N 3.3Å; I981-V983 PolarHBondContact O-N 2.83Å; V983-C986 WeakPolarHBondContact O-CB 3.4Å; V983-C986 PolarHBondContact O-N 3.3Å; V983-C986 VanDerWaalsContact O-N 3.17Å
984	K	90.4	Very high	87.3	Confident	96 Å²	96	38.1 Å²	38.1	42%	0.417	21%	0.209	S	C	.	.	H	α-helix	trans	-62.2	-46.1	170.9	-75.8	-166.9	174.3	-163.4	0	111.9	D909 R980 I981 C986 Q987	D909-K984 WeakPolarHBondContact OD2-CE 3.36Å; D909-K984 IonicContact OD2-NZ 2.9Å; R980-K984 WeakPolarHBondContact O-CG 3.35Å; R980-K984 PolarHBondContact O-N 2.86Å; I981-K984 PolarHBondContact O-N 2.89Å; K984-C986 PolarHBondContact O-N 2.71Å; K984-C986 VanDerWaalsContact O-N 3.17Å; K984-Q987 WeakPolarHBondContact O-CB 3.31Å; K984-Q987 VanDerWaalsContact O-CG 3.31Å; K984-Q987 WeakPolarHBondContact O-CG 3.46Å; K984-Q987 PolarHBondContact O-N 3.33Å
985	A	91.9	Very high	87.3	Confident	1 Å²	1	39.6 Å²	39.6	1%	0.008	22%	0.218	C	C	.	.	H	α-helix	trans	-57.4	-32.2	174.3	0	0	0	0	0	112.2	I981 F982 Q987 V988 D1008 Q1011 I1012	I981-A985 PolarHBondContact O-N 2.88Å; F982-A985 PolarHBondContact O-N 3.36Å; A985-Q987 PolarHBondContact O-N 2.87Å; A985-Q987 VanDerWaalsContact O-N 3.14Å; A985-V988 VanDerWaalsContact O-CB 3.29Å; A985-V988 WeakPolarHBondContact O-CB 3.36Å; A985-V988 WeakPolarHBondContact O-CG1 3.45Å; A985-V988 PolarHBondContact O-N 3.46Å; A985-V988 VanDerWaalsContact O-N 3.15Å; A985-D1008 HydrophobicContact CB-CB 4.05Å; A985-Q1011 HydrophobicContact CB-CB 4.18Å; A985-I1012 HydrophobicContact CB-CD1 4.1Å; A985-I1012 HydrophobicContact CB-CG1 3.83Å
986	C	91.4	Very high	86.9	Confident	2 Å²	2	48.7 Å²	48.7	1%	0.014	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-64.6	-13.6	175.1	-65.1	0	0	0	0	114.7	V905 S906 F982 V983 K984 V988 F989 L1078	V905-C986 HydrophobicContact CG1-CB 4.2Å; S906-C986 WeakPolarHBondContact CB-O 3.38Å; F982-C986 VanDerWaalsContact CE1-SG 3.57Å; F982-C986 PolarHBondContact O-N 3.32Å; F982-C986 VanDerWaalsContact O-N 3.07Å; F982-C986 PolarHBondContact O-SG 3.21Å; V983-C986 WeakPolarHBondContact O-CB 3.4Å; V983-C986 PolarHBondContact O-N 3.3Å; V983-C986 VanDerWaalsContact O-N 3.17Å; K984-C986 PolarHBondContact O-N 2.71Å; K984-C986 VanDerWaalsContact O-N 3.17Å; C986-V988 PolarHBondContact O-N 3.4Å; C986-V988 VanDerWaalsContact O-N 3.15Å; C986-F989 PolarHBondContact O-N 3.31Å; C986-F989 VanDerWaalsContact O-N 3.15Å; C986-L1078 VanDerWaalsContact SG-CD2 3.51Å
987	Q	87.6	Confident	86.8	Confident	59 Å²	59	50 Å²	50	28%	0.276	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-59.2	-20.7	171.1	-67.1	179.1	-40.7	0	0	112.4	D910 K984 A985 F989 D990	D910-Q987 PolarHBondContact OD1-NE2 3.08Å; D910-Q987 PolarHBondContact OD2-NE2 3.1Å; K984-Q987 WeakPolarHBondContact O-CB 3.31Å; K984-Q987 VanDerWaalsContact O-CG 3.31Å; K984-Q987 WeakPolarHBondContact O-CG 3.46Å; K984-Q987 PolarHBondContact O-N 3.33Å; A985-Q987 PolarHBondContact O-N 2.87Å; A985-Q987 VanDerWaalsContact O-N 3.14Å; Q987-F989 PolarHBondContact O-N 2.96Å; Q987-D990 PolarHBondContact O-N 3.46Å
988	V	88.4	Confident	86.6	Confident	2 Å²	2	49 Å²	49	1%	0.012	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-53.3	-25.3	172	75.7	0	0	0	0	114.4	A985 C986 W994 Y1004 D1008 M1009 I1012 W1041	A985-V988 VanDerWaalsContact O-CB 3.29Å; A985-V988 WeakPolarHBondContact O-CB 3.36Å; A985-V988 WeakPolarHBondContact O-CG1 3.45Å; A985-V988 PolarHBondContact O-N 3.46Å; A985-V988 VanDerWaalsContact O-N 3.15Å; C986-V988 PolarHBondContact O-N 3.4Å; C986-V988 VanDerWaalsContact O-N 3.15Å; V988-W994 PolarHBondContact O-NE1 2.94Å; V988-Y1004 HydrophobicContact CG2-CE1 4.2Å; V988-D1008 HydrophobicContact CB-CB 3.96Å; V988-D1008 HydrophobicContact CG1-CB 4.41Å; V988-D1008 HydrophobicContact CG2-CB 4.22Å; V988-M1009 HydrophobicContact CG1-CG 4.43Å; V988-M1009 HydrophobicContact CG1-SD 3.73Å; V988-M1009 HydrophobicContact CG2-CG 4.19Å; V988-M1009 HydrophobicContact CG2-SD 4.41Å; V988-I1012 HydrophobicContact CG1-CD1 3.87Å; V988-W1041 HydrophobicContact CG2-CH2 3.95Å; V988-W1041 HydrophobicContact CG2-CZ2 3.44Å; V988-W1041 VanDerWaalsContact CG2-CZ2 3.44Å; V988-W1041 WeakPolarHBondContact O-CH2 3.33Å
989	F	86.3	Confident	86.4	Confident	1 Å²	1	51.7 Å²	51.7	0%	0.004	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-91.1	-7.2	177.1	-60.4	-71.1	0	0	0	114.2	C986 Q987 L991 M1009 I1012 W1041 F1054 L1057 I1074 I1075 L1078	C986-F989 PolarHBondContact O-N 3.31Å; C986-F989 VanDerWaalsContact O-N 3.15Å; Q987-F989 PolarHBondContact O-N 2.96Å; F989-L991 PolarHBondContact O-N 2.82Å; F989-M1009 HydrophobicContact CE1-CE 4.44Å; F989-M1009 HydrophobicContact CE1-SD 4.07Å; F989-M1009 HydrophobicContact CE2-SD 4.26Å; F989-M1009 HydrophobicContact CZ-CE 4.01Å; F989-M1009 HydrophobicContact CZ-SD 3.62Å; F989-I1012 HydrophobicContact CE2-CD1 3.92Å; F989-W1041 HydrophobicContact CD1-CH2 4.29Å; F989-W1041 HydrophobicContact CD1-CZ3 4.01Å; F989-W1041 HydrophobicContact CE1-CH2 4.46Å; F989-W1041 AromaticContact CE1-CZ3 3.85Å; F989-W1041 HydrophobicContact CE1-CZ3 3.85Å; F989-F1054 HydrophobicContact CB-CD2 3.81Å; F989-F1054 HydrophobicContact CB-CE2 3.58Å; F989-F1054 HydrophobicContact CG-CE2 4.32Å; F989-L1057 HydrophobicContact CB-CD2 4.47Å; F989-L1057 HydrophobicContact CD1-CD2 4.1Å; F989-I1074 HydrophobicContact CE2-CG2 4.28Å; F989-I1074 HydrophobicContact CZ-CG2 4Å; F989-I1075 HydrophobicContact CD1-CD1 4.47Å; F989-I1075 HydrophobicContact CE1-CD1 4.08Å; F989-I1075 HydrophobicContact CZ-CD1 4.23Å; F989-L1078 HydrophobicContact CD2-CD1 3.84Å; F989-L1078 HydrophobicContact CE2-CD1 3.5Å; F989-L1078 HydrophobicContact CZ-CD1 4.23Å
990	D	82	Confident	86.1	Confident	36 Å²	36	57 Å²	57	19%	0.193	30%	0.298	C	S	.	.			trans	-79.9	106.1	173.1	-157.9	-38.8	0	0	0	109.6	Q907 Q987 A992 A993	Q907-D990 PolarHBondContact NE2-OD2 2.89Å; Q987-D990 PolarHBondContact O-N 3.46Å; D990-A992 PolarHBondContact O-N 2.84Å; D990-A992 VanDerWaalsContact O-N 3.08Å; D990-A992 WeakPolarHBondContact OD1-CB 3.38Å; D990-A992 PolarHBondContact OD1-N 3.42Å; D990-A993 WeakPolarHBondContact O-CB 3.19Å; D990-A993 PolarHBondContact O-N 3.48Å
991	L	80.4	Confident	85.8	Confident	27 Å²	27	54.7 Å²	54.7	14%	0.141	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-62.6	-15.2	-178.7	-56.2	-173.8	0	0	0	112.9	F989 A993 W994 Y1048 L1057	F989-L991 PolarHBondContact O-N 2.82Å; L991-A993 VanDerWaalsContact C-N 3.27Å; L991-A993 PolarHBondContact O-N 3.41Å; L991-W994 HydrophobicContact CD2-CD2 3.54Å; L991-W994 HydrophobicContact CD2-CE3 3.82Å; L991-W994 HydrophobicContact CD2-CG 4.2Å; L991-W994 HydrophobicContact CD2-CH2 3.61Å; L991-W994 HydrophobicContact CD2-CZ2 3.3Å; L991-W994 HydrophobicContact CD2-CZ3 3.87Å; L991-Y1048 HydrophobicContact CD1-CD1 4.2Å; L991-Y1048 HydrophobicContact CD1-CE1 3.92Å; L991-L1057 HydrophobicContact CD1-CB 4.49Å; L991-L1057 HydrophobicContact CD2-CD1 4.31Å; L991-L1057 HydrophobicContact CD2-CD2 4.09Å
992	A	78.5	Confident	85.5	Confident	96 Å²	96	53.3 Å²	53.3	79%	0.793	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-72	-19.9	171.6	0	0	0	0	0	113.4	D990	D990-A992 PolarHBondContact O-N 2.84Å; D990-A992 VanDerWaalsContact O-N 3.08Å; D990-A992 WeakPolarHBondContact OD1-CB 3.38Å; D990-A992 PolarHBondContact OD1-N 3.42Å
993	A	80.1	Confident	85.2	Confident	53 Å²	53	56 Å²	56	44%	0.438	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-95.1	-2.1	177.8	0	0	0	0	0	113.7	D990 L991 Y1004	D990-A993 WeakPolarHBondContact O-CB 3.19Å; D990-A993 PolarHBondContact O-N 3.48Å; L991-A993 VanDerWaalsContact C-N 3.27Å; L991-A993 PolarHBondContact O-N 3.41Å; A993-Y1004 PolarHBondContact O-OH 3.1Å
994	W	86.4	Confident	85	Confident	34 Å²	34	58.6 Å²	58.6	13%	0.129	31%	0.312	C	S	.	.	S	Bend	trans	-72.4	135.6	-177.9	-81.3	25.5	0	0	0	112.2	V988 L991 L1001 Y1004 W1041 K1045 L1057	V988-W994 PolarHBondContact O-NE1 2.94Å; L991-W994 HydrophobicContact CD2-CD2 3.54Å; L991-W994 HydrophobicContact CD2-CE3 3.82Å; L991-W994 HydrophobicContact CD2-CG 4.2Å; L991-W994 HydrophobicContact CD2-CH2 3.61Å; L991-W994 HydrophobicContact CD2-CZ2 3.3Å; L991-W994 HydrophobicContact CD2-CZ3 3.87Å; W994-L1001 HydrophobicContact CB-CD1 3.99Å; W994-L1001 HydrophobicContact CD2-CD1 3.7Å; W994-L1001 HydrophobicContact CE3-CD1 3.56Å; W994-L1001 HydrophobicContact CE3-CD2 4.13Å; W994-L1001 HydrophobicContact CE3-CG 4.46Å; W994-L1001 HydrophobicContact CG-CD1 3.93Å; W994-L1001 HydrophobicContact CZ3-CD1 4.28Å; W994-L1001 HydrophobicContact CZ3-CD2 4.5Å; W994-Y1004 AromaticContact CD1-CE1 3.46Å; W994-Y1004 VanDerWaalsContact CD1-CE1 3.46Å; W994-Y1004 HydrophobicContact CG-CE1 4.27Å; W994-Y1004 AromaticContact NE1-CE1 3.78Å; W994-W1041 AromaticContact CZ2-CH2 3.54Å; W994-W1041 HydrophobicContact CZ2-CH2 3.54Å; W994-W1041 HydrophobicContact CZ2-CZ2 4.07Å; W994-W1041 HydrophobicContact CZ2-CZ3 4.27Å; W994-K1045 HydrophobicContact CH2-CG 3.67Å; W994-K1045 HydrophobicContact CZ2-CG 4.09Å; W994-K1045 HydrophobicContact CZ3-CG 4.02Å; W994-L1057 HydrophobicContact CH2-CD1 4.27Å
995	P	86.3	Confident	84.9	Confident	31 Å²	31	54.3 Å²	54.3	20%	0.201	29%	0.294	C	S	.	.			trans	-60.9	143	177.3	-26.8	35.8	0	0	0	113.8	S997 E1000 Y1004	P995-S997 VanDerWaalsContact C-N 3.34Å; P995-E1000 HydrophobicContact CB-CB 3.66Å; P995-E1000 HydrophobicContact CG-CB 4.16Å; P995-Y1004 VanDerWaalsContact CD-CG 3.5Å; P995-Y1004 HydrophobicContact CG-CD2 3.69Å; P995-Y1004 HydrophobicContact CG-CE2 4.39Å; P995-Y1004 HydrophobicContact CG-CG 3.93Å
996	R	81.2	Confident	84.9	Confident	205 Å²	205	58.4 Å²	58.4	77%	0.774	31%	0.312	S	S	*	.	S	Bend	trans	-80.6	-13.2	177.6	-62.6	-176.7	-179.1	-172.3	-0.5	113.5
997	S	84.6	Confident	84.8	Confident	46 Å²	46	65.7 Å²	65.7	32%	0.322	35%	0.346	S	S	.	.	S	Bend	trans	-87.2	132.3	171	176.5	0	0	0	0	110.2	P995 E999 E1000 L1001	P995-S997 VanDerWaalsContact C-N 3.34Å; S997-E999 VanDerWaalsContact C-N 3.29Å; S997-E999 PolarHBondContact O-N 2.87Å; S997-E1000 VanDerWaalsContact CB-OE2 3.31Å; S997-E1000 WeakPolarHBondContact CB-OE2 3.36Å; S997-E1000 PolarHBondContact O-N 3.32Å; S997-L1001 VanDerWaalsContact O-CB 3.27Å; S997-L1001 WeakPolarHBondContact O-CB 3.25Å; S997-L1001 PolarHBondContact O-N 3.33Å
998	S	80.8	Confident	85.1	Confident	70 Å²	70	65.2 Å²	65.2	49%	0.49	35%	0.345	S	S	.	.	H	α-helix	trans	-63.1	-35	177.8	-175.6	0	0	0	0	112.4	M1002	S998-M1002 VanDerWaalsContact O-CG 3.28Å; S998-M1002 WeakPolarHBondContact O-CG 3.49Å; S998-M1002 PolarHBondContact O-N 3.5Å
999	E	81.9	Confident	85.2	Confident	165 Å²	165	65.1 Å²	65.1	77%	0.771	35%	0.345	S	S	*	.	H	α-helix	trans	-69.6	-45.3	178.7	-173.1	169	-164.4	0	0	112	S997 M1002 S1003	S997-E999 VanDerWaalsContact C-N 3.29Å; S997-E999 PolarHBondContact O-N 2.87Å; E999-M1002 PolarHBondContact O-N 2.95Å; E999-S1003 PolarHBondContact O-N 2.88Å
1000	E	84.1	Confident	85.4	Confident	113 Å²	113	66.9 Å²	66.9	53%	0.528	36%	0.356	S	S	.	.	H	α-helix	trans	-65.6	-40.6	174.3	-62.1	170.3	172.4	0	0	111.4	P995 S997 M1002 S1003 Y1004	P995-E1000 HydrophobicContact CB-CB 3.66Å; P995-E1000 HydrophobicContact CG-CB 4.16Å; S997-E1000 VanDerWaalsContact CB-OE2 3.31Å; S997-E1000 WeakPolarHBondContact CB-OE2 3.36Å; S997-E1000 PolarHBondContact O-N 3.32Å; E1000-M1002 VanDerWaalsContact C-N 3.29Å; E1000-M1002 PolarHBondContact O-N 3.49Å; E1000-S1003 CarbonylContact O-C 3.58Å; E1000-S1003 PolarHBondContact O-N 3.4Å; E1000-S1003 VanDerWaalsContact O-N 3.15Å; E1000-S1003 PolarHBondContact O-OG 2.93Å; E1000-Y1004 WeakPolarHBondContact O-CB 3.23Å; E1000-Y1004 PolarHBondContact O-N 3.08Å
1001	L	84.9	Confident	85.9	Confident	6 Å²	6	68.8 Å²	68.8	3%	0.031	36%	0.363	C	S	.	.	H	α-helix	trans	-62.1	-38.8	177	179	62.4	0	0	0	111.2	W994 S997 S1003 Y1004 K1045 Y1049	W994-L1001 HydrophobicContact CB-CD1 3.99Å; W994-L1001 HydrophobicContact CD2-CD1 3.7Å; W994-L1001 HydrophobicContact CE3-CD1 3.56Å; W994-L1001 HydrophobicContact CE3-CD2 4.13Å; W994-L1001 HydrophobicContact CE3-CG 4.46Å; W994-L1001 HydrophobicContact CG-CD1 3.93Å; W994-L1001 HydrophobicContact CZ3-CD1 4.28Å; W994-L1001 HydrophobicContact CZ3-CD2 4.5Å; S997-L1001 VanDerWaalsContact O-CB 3.27Å; S997-L1001 WeakPolarHBondContact O-CB 3.25Å; S997-L1001 PolarHBondContact O-N 3.33Å; L1001-S1003 VanDerWaalsContact C-N 3.29Å; L1001-S1003 PolarHBondContact O-N 3.48Å; L1001-Y1004 WeakPolarHBondContact O-CB 3.36Å; L1001-Y1004 PolarHBondContact O-N 3.49Å; L1001-K1045 HydrophobicContact CD1-CD 3.95Å; L1001-K1045 HydrophobicContact CD1-CG 4.44Å; L1001-K1045 HydrophobicContact CG-CB 4.48Å; L1001-K1045 HydrophobicContact CG-CD 4.23Å; L1001-K1045 WeakPolarHBondContact O-CD 3.3Å; L1001-K1045 WeakPolarHBondContact O-CE 3.34Å; L1001-K1045 PolarHBondContact O-NZ 3.44Å; L1001-Y1049 HydrophobicContact CD2-CD2 3.48Å; L1001-Y1049 VanDerWaalsContact CD2-CD2 3.48Å; L1001-Y1049 HydrophobicContact CD2-CE2 3.78Å
1002	M	84.7	Confident	86.4	Confident	70 Å²	70	67.5 Å²	67.5	35%	0.345	36%	0.357	S	S	.	.	H	α-helix	trans	-68.3	-27.6	177.5	-72.8	-64.5	-113.2	0	0	112.8	S998 E999 E1000 K1006 R1042 K1045 A1046	S998-M1002 VanDerWaalsContact O-CG 3.28Å; S998-M1002 WeakPolarHBondContact O-CG 3.49Å; S998-M1002 PolarHBondContact O-N 3.5Å; E999-M1002 PolarHBondContact O-N 2.95Å; E1000-M1002 VanDerWaalsContact C-N 3.29Å; E1000-M1002 PolarHBondContact O-N 3.49Å; M1002-K1006 WeakPolarHBondContact O-CE 3.42Å; M1002-R1042 HydrophobicContact CE-CG 3.68Å; M1002-R1042 HydrophobicContact SD-CG 3.82Å; M1002-K1045 PolarHBondContact O-NZ 2.86Å; M1002-K1045 HydrophobicContact SD-CB 4.48Å; M1002-A1046 HydrophobicContact CE-CB 4.3Å
1003	S	85	Confident	86.9	Confident	64 Å²	64	63 Å²	63	45%	0.448	32%	0.319	S	S	.	.	H	α-helix	trans	-82.8	-27.3	170.8	66.9	0	0	0	0	114.3	E999 E1000 L1001 K1006	E999-S1003 PolarHBondContact O-N 2.88Å; E1000-S1003 CarbonylContact O-C 3.58Å; E1000-S1003 PolarHBondContact O-N 3.4Å; E1000-S1003 VanDerWaalsContact O-N 3.15Å; E1000-S1003 PolarHBondContact O-OG 2.93Å; L1001-S1003 VanDerWaalsContact C-N 3.29Å; L1001-S1003 PolarHBondContact O-N 3.48Å; S1003-K1006 VanDerWaalsContact O-CD 3.3Å; S1003-K1006 WeakPolarHBondContact O-CD 3.46Å; S1003-K1006 VanDerWaalsContact O-CG 3.28Å; S1003-K1006 WeakPolarHBondContact O-CG 3.26Å
1004	Y	88.9	Confident	87.3	Confident	54 Å²	54	63.8 Å²	63.8	21%	0.212	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	143.3	-175.6	-177	-102.2	0	0	0	115.3	V988 A993 W994 P995 E1000 L1001 K1006 W1041 K1045	V988-Y1004 HydrophobicContact CG2-CE1 4.2Å; A993-Y1004 PolarHBondContact O-OH 3.1Å; W994-Y1004 AromaticContact CD1-CE1 3.46Å; W994-Y1004 VanDerWaalsContact CD1-CE1 3.46Å; W994-Y1004 HydrophobicContact CG-CE1 4.27Å; W994-Y1004 AromaticContact NE1-CE1 3.78Å; P995-Y1004 VanDerWaalsContact CD-CG 3.5Å; P995-Y1004 HydrophobicContact CG-CD2 3.69Å; P995-Y1004 HydrophobicContact CG-CE2 4.39Å; P995-Y1004 HydrophobicContact CG-CG 3.93Å; E1000-Y1004 WeakPolarHBondContact O-CB 3.23Å; E1000-Y1004 PolarHBondContact O-N 3.08Å; L1001-Y1004 WeakPolarHBondContact O-CB 3.36Å; L1001-Y1004 PolarHBondContact O-N 3.49Å; Y1004-K1006 VanDerWaalsContact C-N 3.29Å; Y1004-K1006 PolarHBondContact O-N 2.64Å; Y1004-W1041 PolarHBondContact O-NE1 3.45Å; Y1004-W1041 VanDerWaalsContact O-NE1 3.12Å; Y1004-K1045 PolarHBondContact O-NZ 2.92Å
1005	G	88.2	Confident	87.4	Confident	5 Å²	5	63.3 Å²	63.3	5%	0.052	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	76	3.2	170	0	0	0	0	0	116.3	D1008 M1009	G1005-D1008 WeakPolarHBondContact CA-OD2 3.31Å; G1005-M1009 WeakPolarHBondContact O-CB 3.29Å; G1005-M1009 WeakPolarHBondContact O-CG 3.31Å; G1005-M1009 PolarHBondContact O-N 3.16Å
1006	K	90	Very high	87.4	Confident	87 Å²	87	61.9 Å²	61.9	38%	0.378	31%	0.305	S	S	.	.	H	α-helix	trans	-62.9	-45.3	-175.3	-73.3	172.2	-178.3	170.2	0	112.5	M1002 S1003 Y1004 V1010 L1038	M1002-K1006 WeakPolarHBondContact O-CE 3.42Å; S1003-K1006 VanDerWaalsContact O-CD 3.3Å; S1003-K1006 WeakPolarHBondContact O-CD 3.46Å; S1003-K1006 VanDerWaalsContact O-CG 3.28Å; S1003-K1006 WeakPolarHBondContact O-CG 3.26Å; Y1004-K1006 VanDerWaalsContact C-N 3.29Å; Y1004-K1006 PolarHBondContact O-N 2.64Å; K1006-V1010 WeakPolarHBondContact O-CG2 2.98Å; K1006-V1010 PolarHBondContact O-N 2.77Å; K1006-L1038 HydrophobicContact CB-CD2 4.15Å; K1006-L1038 HydrophobicContact CG-CD2 4.18Å
1007	E	90.8	Very high	87.6	Confident	155 Å²	155	55 Å²	55	72%	0.724	28%	0.282	S	S	*	.	H	α-helix	trans	-71.2	-38.3	-178.8	-65.5	179.4	-162.8	0	0	111.2	V1010 Q1011	E1007-V1010 PolarHBondContact O-N 3.3Å; E1007-Q1011 WeakPolarHBondContact O-CG 3.31Å; E1007-Q1011 PolarHBondContact O-N 2.98Å; E1007-Q1011 PolarHBondContact O-NE2 3.3Å
1008	D	92.6	Very high	87.6	Confident	50 Å²	50	55.2 Å²	55.2	27%	0.267	29%	0.287	S	S	.	.	H	α-helix	trans	-64.3	-45.3	176.7	-48.6	-79.1	0	0	0	111.9	A985 V988 G1005 V1010 Q1011 I1012	A985-D1008 HydrophobicContact CB-CB 4.05Å; V988-D1008 HydrophobicContact CB-CB 3.96Å; V988-D1008 HydrophobicContact CG1-CB 4.41Å; V988-D1008 HydrophobicContact CG2-CB 4.22Å; G1005-D1008 WeakPolarHBondContact CA-OD2 3.31Å; D1008-V1010 VanDerWaalsContact C-N 3.28Å; D1008-V1010 PolarHBondContact O-N 2.83Å; D1008-Q1011 PolarHBondContact O-N 3.33Å; D1008-I1012 WeakPolarHBondContact O-CD1 2.93Å; D1008-I1012 VanDerWaalsContact O-CG1 3.32Å; D1008-I1012 WeakPolarHBondContact O-CG1 3.12Å; D1008-I1012 PolarHBondContact O-N 2.75Å
1009	M	91.9	Very high	87.7	Confident	0 Å²	0	52 Å²	52	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-64.2	-32.1	175.9	-70.6	-59.7	-60.8	0	0	112.4	V988 F989 G1005 I1012 F1013 L1037 L1038 W1041 L1071 I1074	V988-M1009 HydrophobicContact CG1-CG 4.43Å; V988-M1009 HydrophobicContact CG1-SD 3.73Å; V988-M1009 HydrophobicContact CG2-CG 4.19Å; V988-M1009 HydrophobicContact CG2-SD 4.41Å; F989-M1009 HydrophobicContact CE1-CE 4.44Å; F989-M1009 HydrophobicContact CE1-SD 4.07Å; F989-M1009 HydrophobicContact CE2-SD 4.26Å; F989-M1009 HydrophobicContact CZ-CE 4.01Å; F989-M1009 HydrophobicContact CZ-SD 3.62Å; G1005-M1009 WeakPolarHBondContact O-CB 3.29Å; G1005-M1009 WeakPolarHBondContact O-CG 3.31Å; G1005-M1009 PolarHBondContact O-N 3.16Å; M1009-I1012 HydrophobicContact SD-CD1 4.2Å; M1009-F1013 WeakPolarHBondContact O-CB 3.24Å; M1009-F1013 PolarHBondContact O-N 2.81Å; M1009-L1037 HydrophobicContact CE-CD1 3.82Å; M1009-L1037 HydrophobicContact CE-CD2 4.19Å; M1009-L1037 HydrophobicContact CE-CG 4.21Å; M1009-L1038 HydrophobicContact CB-CD2 4.42Å; M1009-W1041 HydrophobicContact CE-CE3 4.32Å; M1009-W1041 HydrophobicContact CG-CD2 3.9Å; M1009-W1041 HydrophobicContact CG-CE3 4.44Å; M1009-W1041 HydrophobicContact CG-CG 3.93Å; M1009-W1041 HydrophobicContact SD-CD2 4.25Å; M1009-W1041 HydrophobicContact SD-CE3 4.19Å; M1009-W1041 HydrophobicContact SD-CZ3 4.43Å; M1009-L1071 HydrophobicContact CE-CD2 3.44Å; M1009-L1071 VanDerWaalsContact CE-CD2 3.44Å; M1009-I1074 HydrophobicContact CE-CD1 3.64Å
1010	V	90.9	Very high	87.4	Confident	38 Å²	38	47.7 Å²	47.7	23%	0.23	25%	0.25	C	S	.	.	H	α-helix	trans	-70.6	-43.6	171.7	171.6	0	0	0	0	111.2	K1006 E1007 D1008 I1012 F1013 D1014 L1038	K1006-V1010 WeakPolarHBondContact O-CG2 2.98Å; K1006-V1010 PolarHBondContact O-N 2.77Å; E1007-V1010 PolarHBondContact O-N 3.3Å; D1008-V1010 VanDerWaalsContact C-N 3.28Å; D1008-V1010 PolarHBondContact O-N 2.83Å; V1010-I1012 VanDerWaalsContact C-N 3.31Å; V1010-I1012 PolarHBondContact O-N 3.1Å; V1010-F1013 CarbonylContact O-C 3.59Å; V1010-F1013 PolarHBondContact O-N 2.77Å; V1010-F1013 VanDerWaalsContact O-N 3.13Å; V1010-D1014 WeakPolarHBondContact O-CB 3.36Å; V1010-D1014 VanDerWaalsContact O-CG 3.29Å; V1010-D1014 PolarHBondContact O-N 3.31Å; V1010-L1038 HydrophobicContact CG2-CD1 4.07Å; V1010-L1038 HydrophobicContact CG2-CD2 4.31Å; V1010-L1038 HydrophobicContact CG2-CG 4.42Å
1011	Q	91.3	Very high	86.7	Confident	76 Å²	76	43.8 Å²	43.8	36%	0.355	23%	0.234	S	C	.	.	H	α-helix	trans	-60.7	-39.1	175.2	-73.1	172.8	70.1	0	0	112.7	A985 E1007 D1008 H1015	A985-Q1011 HydrophobicContact CB-CB 4.18Å; E1007-Q1011 WeakPolarHBondContact O-CG 3.31Å; E1007-Q1011 PolarHBondContact O-N 2.98Å; E1007-Q1011 PolarHBondContact O-NE2 3.3Å; D1008-Q1011 PolarHBondContact O-N 3.33Å; Q1011-H1015 PolarHBondContact O-N 3.24Å
1012	I	91.7	Very high	86	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-63.8	-45.7	173.2	-70.5	160	0	0	0	110.2	F982 A985 V988 F989 D1008 M1009 V1010 H1015 L1016 I1074	F982-I1012 HydrophobicContact CE2-CB 4.31Å; F982-I1012 HydrophobicContact CE2-CG1 4.27Å; F982-I1012 HydrophobicContact CE2-CG2 4Å; F982-I1012 HydrophobicContact CZ-CG2 4.4Å; A985-I1012 HydrophobicContact CB-CD1 4.1Å; A985-I1012 HydrophobicContact CB-CG1 3.83Å; V988-I1012 HydrophobicContact CG1-CD1 3.87Å; F989-I1012 HydrophobicContact CE2-CD1 3.92Å; D1008-I1012 WeakPolarHBondContact O-CD1 2.93Å; D1008-I1012 VanDerWaalsContact O-CG1 3.32Å; D1008-I1012 WeakPolarHBondContact O-CG1 3.12Å; D1008-I1012 PolarHBondContact O-N 2.75Å; M1009-I1012 HydrophobicContact SD-CD1 4.2Å; V1010-I1012 VanDerWaalsContact C-N 3.31Å; V1010-I1012 PolarHBondContact O-N 3.1Å; I1012-H1015 PolarHBondContact O-N 2.64Å; I1012-L1016 HydrophobicContact CG2-CD1 3.77Å; I1012-L1016 VanDerWaalsContact O-CG 3.24Å; I1012-L1016 WeakPolarHBondContact O-CG 3.23Å; I1012-L1016 PolarHBondContact O-N 2.84Å; I1012-L1016 VanDerWaalsContact O-N 3.12Å; I1012-I1074 HydrophobicContact CG2-CD1 4.17Å; I1012-I1074 HydrophobicContact CG2-CG1 4.3Å; I1012-I1074 HydrophobicContact CG2-CG2 3.63Å
1013	F	89.3	Confident	84.9	Confident	2 Å²	2	42.8 Å²	42.8	1%	0.009	23%	0.233	C	C	.	.	H	α-helix	trans	-64.4	-46.1	177.7	-175.4	-88.7	0	0	0	112.6	M1009 V1010 H1015 L1016 E1017 F1022 V1026 P1033 R1034 L1037	M1009-F1013 WeakPolarHBondContact O-CB 3.24Å; M1009-F1013 PolarHBondContact O-N 2.81Å; V1010-F1013 CarbonylContact O-C 3.59Å; V1010-F1013 PolarHBondContact O-N 2.77Å; V1010-F1013 VanDerWaalsContact O-N 3.13Å; F1013-H1015 PolarHBondContact O-N 2.92Å; F1013-L1016 CarbonylContact O-C 3.55Å; F1013-L1016 PolarHBondContact O-N 2.87Å; F1013-E1017 HydrophobicContact CD1-CB 4.42Å; F1013-E1017 HydrophobicContact CE1-CB 4.11Å; F1013-E1017 HydrophobicContact CE1-CG 4.38Å; F1013-E1017 WeakPolarHBondContact O-CB 3.22Å; F1013-E1017 PolarHBondContact O-N 2.79Å; F1013-F1022 HydrophobicContact CD2-CE1 4.04Å; F1013-F1022 HydrophobicContact CD2-CZ 4.15Å; F1013-F1022 AromaticContact CE2-CE1 3.7Å; F1013-F1022 HydrophobicContact CE2-CE1 3.7Å; F1013-F1022 HydrophobicContact CE2-CZ 4.1Å; F1013-F1022 HydrophobicContact CZ-CE1 4.3Å; F1013-V1026 HydrophobicContact CZ-CG1 4.47Å; F1013-P1033 HydrophobicContact CE1-CG 4.35Å; F1013-P1033 HydrophobicContact CE2-CB 4.23Å; F1013-P1033 HydrophobicContact CZ-CB 3.77Å; F1013-P1033 HydrophobicContact CZ-CG 3.81Å; F1013-R1034 HydrophobicContact CD1-CG 3.83Å; F1013-R1034 HydrophobicContact CE1-CG 3.73Å; F1013-L1037 HydrophobicContact CB-CD2 3.69Å; F1013-L1037 HydrophobicContact CD2-CD2 3.8Å; F1013-L1037 HydrophobicContact CG-CD2 4.07Å
1014	D	88.5	Confident	83.8	Confident	69 Å²	69	47 Å²	47	37%	0.369	24%	0.239	S	C	.	.	H	α-helix	trans	-53.7	-39.2	176.5	-76.5	-28	0	0	0	111.8	V1010 R1034	V1010-D1014 WeakPolarHBondContact O-CB 3.36Å; V1010-D1014 VanDerWaalsContact O-CG 3.29Å; V1010-D1014 PolarHBondContact O-N 3.31Å; D1014-R1034 IonicContact OD1-CZ 3.3Å; D1014-R1034 IonicContact OD1-NH1 2.78Å; D1014-R1034 PolarHBondContact OD1-NH1 3.34Å; D1014-R1034 IonicContact OD1-NH2 2.96Å; D1014-R1034 PolarHBondContact OD1-NH2 2.91Å; D1014-R1034 IonicContact OD2-NH1 2.58Å
1015	H	88.4	Confident	82.5	Confident	24 Å²	24	48.5 Å²	48.5	11%	0.111	25%	0.251	C	S	.	.	H	α-helix	trans	-70.1	-42.2	175.8	-179	76.3	0	0	0	112.6	W754 L756 F982 Q1011 I1012 F1013 A1018	W754-H1015 PolarHBondContact O-CE1 2.83Å; W754-H1015 PolarHBondContact O-NE2 3.21Å; L756-H1015 VanDerWaalsContact CD2-CE1 3.44Å; L756-H1015 WeakPolarHBondContact CD2-CE1 3.29Å; L756-H1015 WeakPolarHBondContact CD2-NE2 3.45Å; L756-H1015 VanDerWaalsContact CG-NE2 3.27Å; L756-H1015 WeakPolarHBondContact CG-NE2 3.26Å; F982-H1015 HydrophobicContact CD2-CB 3.66Å; F982-H1015 AromaticContact CD2-CD2 3.57Å; F982-H1015 AromaticContact CD2-CG 3.59Å; F982-H1015 HydrophobicContact CE2-CB 4.05Å; F982-H1015 AromaticContact CE2-CD2 3.59Å; F982-H1015 AromaticContact CE2-CG 4Å; Q1011-H1015 PolarHBondContact O-N 3.24Å; I1012-H1015 PolarHBondContact O-N 2.64Å; F1013-H1015 PolarHBondContact O-N 2.92Å; H1015-A1018 WeakPolarHBondContact O-CB 3.07Å; H1015-A1018 PolarHBondContact O-N 3Å
1016	L	85.2	Confident	81.1	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-77	-27.7	-176.9	-64.1	170.6	0	0	0	112.9	F982 I1012 F1013 A1018 I1019 F1022 I1074 V1077	F982-L1016 HydrophobicContact CE2-CG 4.39Å; I1012-L1016 HydrophobicContact CG2-CD1 3.77Å; I1012-L1016 VanDerWaalsContact O-CG 3.24Å; I1012-L1016 WeakPolarHBondContact O-CG 3.23Å; I1012-L1016 PolarHBondContact O-N 2.84Å; I1012-L1016 VanDerWaalsContact O-N 3.12Å; F1013-L1016 CarbonylContact O-C 3.55Å; F1013-L1016 PolarHBondContact O-N 2.87Å; L1016-A1018 PolarHBondContact O-N 3.41Å; L1016-I1019 HydrophobicContact CB-CD1 4.47Å; L1016-I1019 HydrophobicContact CD2-CD1 3.55Å; L1016-I1019 VanDerWaalsContact O-CB 3.26Å; L1016-I1019 WeakPolarHBondContact O-CB 3.48Å; L1016-I1019 WeakPolarHBondContact O-CG1 3.41Å; L1016-I1019 PolarHBondContact O-N 3.45Å; L1016-F1022 HydrophobicContact CB-CD1 4.17Å; L1016-F1022 HydrophobicContact CB-CD2 4.15Å; L1016-F1022 HydrophobicContact CB-CE1 3.98Å; L1016-F1022 HydrophobicContact CB-CE2 3.96Å; L1016-F1022 HydrophobicContact CB-CG 4.26Å; L1016-F1022 HydrophobicContact CB-CZ 3.88Å; L1016-F1022 HydrophobicContact CD1-CE2 4.24Å; L1016-F1022 HydrophobicContact CD1-CZ 4.42Å; L1016-F1022 WeakPolarHBondContact O-CB 3.33Å; L1016-F1022 WeakPolarHBondContact O-CD1 3.32Å; L1016-F1022 WeakPolarHBondContact O-CG 3.43Å; L1016-I1074 HydrophobicContact CD1-CB 4.12Å; L1016-I1074 HydrophobicContact CD1-CG1 3.63Å; L1016-I1074 HydrophobicContact CD1-CG2 4.15Å; L1016-V1077 HydrophobicContact CD2-CB 4.06Å; L1016-V1077 HydrophobicContact CD2-CG1 3.77Å; L1016-V1077 HydrophobicContact CD2-CG2 4.04Å
1017	E	85.4	Confident	79.3	Confident	61 Å²	61	49.5 Å²	49.5	29%	0.285	27%	0.266	S	S	.	.	H	α-helix	trans	-60.1	-28.8	172.1	-176	163	-134.1	0	0	111.8	F1013 I1019 R1034	F1013-E1017 HydrophobicContact CD1-CB 4.42Å; F1013-E1017 HydrophobicContact CE1-CB 4.11Å; F1013-E1017 HydrophobicContact CE1-CG 4.38Å; F1013-E1017 WeakPolarHBondContact O-CB 3.22Å; F1013-E1017 PolarHBondContact O-N 2.79Å; E1017-I1019 PolarHBondContact O-N 3.48Å; E1017-R1034 IonicContact OE2-CZ 2.79Å; E1017-R1034 IonicContact OE2-NE 2.89Å; E1017-R1034 IonicContact OE2-NH2 2.72Å; E1017-R1034 PolarHBondContact OE2-NH2 3.3Å
1018	A	84.7	Confident	77.5	Confident	50 Å²	50	52.3 Å²	52.3	41%	0.413	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-5.3	172.7	0	0	0	0	0	114.4	W754 H1015 L1016	W754-A1018 HydrophobicContact CB-CB 4.35Å; H1015-A1018 WeakPolarHBondContact O-CB 3.07Å; H1015-A1018 PolarHBondContact O-N 3Å; L1016-A1018 PolarHBondContact O-N 3.41Å
1019	I	84.3	Confident	75.7	Confident	4 Å²	4	57 Å²	57	2%	0.021	29%	0.29	C	S	.	.	S	Bend	trans	-89.1	119.8	176.4	-56.4	173.6	0	0	0	109.3	P725 V727 W754 L1016 E1017 T1021 F1022 S1023	P725-I1019 HydrophobicContact CB-CG2 3.44Å; P725-I1019 VanDerWaalsContact CB-CG2 3.44Å; P725-I1019 HydrophobicContact CG-CG2 3.67Å; V727-I1019 HydrophobicContact CG1-CD1 3.94Å; W754-I1019 HydrophobicContact CB-CG1 3.93Å; W754-I1019 HydrophobicContact CG-CG1 3.93Å; L1016-I1019 HydrophobicContact CB-CD1 4.47Å; L1016-I1019 HydrophobicContact CD2-CD1 3.55Å; L1016-I1019 VanDerWaalsContact O-CB 3.26Å; L1016-I1019 WeakPolarHBondContact O-CB 3.48Å; L1016-I1019 WeakPolarHBondContact O-CG1 3.41Å; L1016-I1019 PolarHBondContact O-N 3.45Å; E1017-I1019 PolarHBondContact O-N 3.48Å; I1019-T1021 VanDerWaalsContact C-N 3.34Å; I1019-T1021 PolarHBondContact O-N 2.91Å; I1019-T1021 VanDerWaalsContact O-N 3.17Å; I1019-F1022 HydrophobicContact CB-CB 4Å; I1019-F1022 HydrophobicContact CG2-CB 4.41Å; I1019-F1022 WeakPolarHBondContact O-CB 3.4Å; I1019-F1022 PolarHBondContact O-N 3.4Å; I1019-S1023 PolarHBondContact O-N 3.45Å; I1019-S1023 VanDerWaalsContact O-N 3.12Å
1020	P	75.5	Confident	74.1	Confident	73 Å²	73	61.4 Å²	61.4	47%	0.474	34%	0.335	S	S	.	.	H	α-helix	trans	-58	-36.1	-170.1	-29.3	35.5	0	0	0	115.9	W754 R1024	W754-P1020 HydrophobicContact CE3-CG 4.15Å; W754-P1020 HydrophobicContact CH2-CG 3.67Å; W754-P1020 HydrophobicContact CZ2-CG 4.34Å; W754-P1020 HydrophobicContact CZ3-CG 3.55Å; P1020-R1024 WeakPolarHBondContact O-CB 3.45Å; P1020-R1024 PolarHBondContact O-N 2.63Å
1021	T	68.9	Low	72.8	Confident	32 Å²	32	65 Å²	65	20%	0.196	35%	0.353	C	S	.	.	H	α-helix	trans	-74.5	-35	177.3	52.4	0	0	0	0	112.6	P725 I1019 D1025	P725-T1021 WeakPolarHBondContact CD-OG1 3.27Å; P725-T1021 WeakPolarHBondContact CG-OG1 3.45Å; I1019-T1021 VanDerWaalsContact C-N 3.34Å; I1019-T1021 PolarHBondContact O-N 2.91Å; I1019-T1021 VanDerWaalsContact O-N 3.17Å; T1021-D1025 PolarHBondContact O-N 3.29Å
1022	F	70.8	Confident	72.3	Confident	13 Å²	13	65.9 Å²	65.9	6%	0.057	36%	0.36	C	S	.	.	H	α-helix	trans	-64.7	-48.7	177.5	-172.2	-84.9	0	0	0	110.3	F1013 L1016 I1019 R1024 D1025 V1026 K1073	F1013-F1022 HydrophobicContact CD2-CE1 4.04Å; F1013-F1022 HydrophobicContact CD2-CZ 4.15Å; F1013-F1022 AromaticContact CE2-CE1 3.7Å; F1013-F1022 HydrophobicContact CE2-CE1 3.7Å; F1013-F1022 HydrophobicContact CE2-CZ 4.1Å; F1013-F1022 HydrophobicContact CZ-CE1 4.3Å; L1016-F1022 HydrophobicContact CB-CD1 4.17Å; L1016-F1022 HydrophobicContact CB-CD2 4.15Å; L1016-F1022 HydrophobicContact CB-CE1 3.98Å; L1016-F1022 HydrophobicContact CB-CE2 3.96Å; L1016-F1022 HydrophobicContact CB-CG 4.26Å; L1016-F1022 HydrophobicContact CB-CZ 3.88Å; L1016-F1022 HydrophobicContact CD1-CE2 4.24Å; L1016-F1022 HydrophobicContact CD1-CZ 4.42Å; L1016-F1022 WeakPolarHBondContact O-CB 3.33Å; L1016-F1022 WeakPolarHBondContact O-CD1 3.32Å; L1016-F1022 WeakPolarHBondContact O-CG 3.43Å; I1019-F1022 HydrophobicContact CB-CB 4Å; I1019-F1022 HydrophobicContact CG2-CB 4.41Å; I1019-F1022 WeakPolarHBondContact O-CB 3.4Å; I1019-F1022 PolarHBondContact O-N 3.4Å; F1022-R1024 PolarHBondContact O-N 3.19Å; F1022-D1025 PolarHBondContact O-N 3.3Å; F1022-V1026 HydrophobicContact CD1-CG2 4.25Å; F1022-V1026 HydrophobicContact CE1-CG2 4.16Å; F1022-V1026 VanDerWaalsContact O-CG2 3.25Å; F1022-V1026 WeakPolarHBondContact O-CG2 3.27Å; F1022-V1026 PolarHBondContact O-N 2.87Å; F1022-K1073 HydrophobicContact CD2-CB 4.12Å; F1022-K1073 HydrophobicContact CD2-CD 4.28Å; F1022-K1073 HydrophobicContact CE2-CB 3.64Å; F1022-K1073 HydrophobicContact CE2-CD 4.15Å
1023	S	61.5	Low	71.8	Confident	42 Å²	42	67.4 Å²	67.4	29%	0.294	37%	0.37	S	S	.	.	H	α-helix	trans	-56.5	-50.1	175.4	174.8	0	0	0	0	112.5	I1019 D1025 V1026 C1027	I1019-S1023 PolarHBondContact O-N 3.45Å; I1019-S1023 VanDerWaalsContact O-N 3.12Å; S1023-D1025 PolarHBondContact O-N 3.01Å; S1023-V1026 PolarHBondContact O-N 2.86Å; S1023-C1027 PolarHBondContact O-N 2.7Å; S1023-C1027 PolarHBondContact O-SG 2.83Å
1024	R	62.2	Low	71.5	Confident	153 Å²	153	71.4 Å²	71.4	58%	0.577	39%	0.385	S	S	*	.	H	α-helix	trans	-58	-33.2	-178.1	-172.1	-177.2	68.5	-168.1	-2.5	113.7	P1020 F1022	P1020-R1024 WeakPolarHBondContact O-CB 3.45Å; P1020-R1024 PolarHBondContact O-N 2.63Å; F1022-R1024 PolarHBondContact O-N 3.19Å
1025	D	59.8	Low	71.4	Confident	85 Å²	85	69.3 Å²	69.3	46%	0.455	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	4.2	-177.8	-63.7	-1	0	0	0	112.7	T1021 F1022 S1023 K1073	T1021-D1025 PolarHBondContact O-N 3.29Å; F1022-D1025 PolarHBondContact O-N 3.3Å; S1023-D1025 PolarHBondContact O-N 3.01Å; D1025-K1073 PolarHBondContact O-NZ 2.83Å
1026	V	58.9	Low	71.4	Confident	22 Å²	22	69.8 Å²	69.8	13%	0.133	39%	0.386	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.2	-41.9	175.5	171	0	0	0	0	110.7	F1013 F1022 S1023 R1028 P1033 L1070	F1013-V1026 HydrophobicContact CZ-CG1 4.47Å; F1022-V1026 HydrophobicContact CD1-CG2 4.25Å; F1022-V1026 HydrophobicContact CE1-CG2 4.16Å; F1022-V1026 VanDerWaalsContact O-CG2 3.25Å; F1022-V1026 WeakPolarHBondContact O-CG2 3.27Å; F1022-V1026 PolarHBondContact O-N 2.87Å; S1023-V1026 PolarHBondContact O-N 2.86Å; V1026-R1028 PolarHBondContact O-N 2.84Å; V1026-P1033 HydrophobicContact CG1-CB 3.38Å; V1026-P1033 HydrophobicContact CG1-CG 3.92Å; V1026-L1070 HydrophobicContact CG2-CD2 3.79Å
1027	C	52.6	Low	71.6	Confident	90 Å²	90	69.9 Å²	69.9	61%	0.608	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	17	-178.6	-57.5	0	0	0	0	115.4	S1023	S1023-C1027 PolarHBondContact O-N 2.7Å; S1023-C1027 PolarHBondContact O-SG 2.83Å
1028	R	54.2	Low	71.8	Confident	215 Å²	215	69 Å²	69	81%	0.811	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-20.1	178.7	-89.9	-176	171.7	-97.9	0.6	114.2	V1026	V1026-R1028 PolarHBondContact O-N 2.84Å
1029	E	54.6	Low	72	Confident	147 Å²	147	70.6 Å²	70.6	69%	0.687	38%	0.383	S	S	*	.	S	Bend	trans	-122.6	136.4	-179.8	-64.3	-178.7	178.9	0	0	109	L1031	E1029-L1031 PolarHBondContact O-N 3Å
1030	G	57.1	Low	72.4	Confident	93 Å²	93	71.2 Å²	71.2	96%	0.959	39%	0.386	S	S	*	.	S	Bend	trans	-76.2	30.8	-172.2	0	0	0	0	0	115.4
1031	L	64.7	Low	73.1	Confident	115 Å²	115	67.8 Å²	67.8	60%	0.602	36%	0.363	S	S	*	.	S	Bend	trans	-88.6	158.3	174.6	-84.7	69.6	0	0	0	110.1	E1029 P1033	E1029-L1031 PolarHBondContact O-N 3Å; L1031-P1033 VanDerWaalsContact O-CD 3.28Å; L1031-P1033 WeakPolarHBondContact O-CD 3.38Å
1032	D	80.9	Confident	74.1	Confident	94 Å²	94	71.2 Å²	71.2	50%	0.503	37%	0.373	S	S	.	.			trans	-71.4	113.6	162.9	168.5	19	0	0	0	109.3	R1034 G1035 S1036	D1032-R1034 VanDerWaalsContact C-N 3.34Å; D1032-R1034 WeakPolarHBondContact OD1-CB 3.31Å; D1032-R1034 PolarHBondContact OD1-N 2.94Å; D1032-G1035 PolarHBondContact OD1-N 3.35Å; D1032-G1035 VanDerWaalsContact OD2-CA 3.25Å; D1032-G1035 WeakPolarHBondContact OD2-CA 3.36Å; D1032-G1035 PolarHBondContact OD2-N 3.47Å; D1032-S1036 WeakPolarHBondContact O-CB 3.16Å; D1032-S1036 PolarHBondContact O-N 3.1Å; D1032-S1036 PolarHBondContact O-OG 3.4Å
1033	P	79.6	Confident	74.9	Confident	31 Å²	31	74 Å²	74	20%	0.201	39%	0.386	C	S	.	.	H	α-helix	trans	-75.4	-24	-178.1	33.6	-36.8	0	0	0	112.5	F1013 V1026 L1031 L1037 L1070	F1013-P1033 HydrophobicContact CE1-CG 4.35Å; F1013-P1033 HydrophobicContact CE2-CB 4.23Å; F1013-P1033 HydrophobicContact CZ-CB 3.77Å; F1013-P1033 HydrophobicContact CZ-CG 3.81Å; V1026-P1033 HydrophobicContact CG1-CB 3.38Å; V1026-P1033 HydrophobicContact CG1-CG 3.92Å; L1031-P1033 VanDerWaalsContact O-CD 3.28Å; L1031-P1033 WeakPolarHBondContact O-CD 3.38Å; P1033-L1037 WeakPolarHBondContact O-CB 3.29Å; P1033-L1037 PolarHBondContact O-N 3.22Å; P1033-L1070 WeakPolarHBondContact O-CD1 3.41Å
1034	R	84.9	Confident	76.2	Confident	86 Å²	86	72 Å²	72	33%	0.325	37%	0.372	S	S	.	.	H	α-helix	trans	-72.9	-48.4	177.6	-62.9	163.2	174.9	-104.8	-5.2	109.2	F1013 D1014 E1017 D1032 S1036 L1037 L1038	F1013-R1034 HydrophobicContact CD1-CG 3.83Å; F1013-R1034 HydrophobicContact CE1-CG 3.73Å; D1014-R1034 IonicContact OD1-CZ 3.3Å; D1014-R1034 IonicContact OD1-NH1 2.78Å; D1014-R1034 PolarHBondContact OD1-NH1 3.34Å; D1014-R1034 IonicContact OD1-NH2 2.96Å; D1014-R1034 PolarHBondContact OD1-NH2 2.91Å; D1014-R1034 IonicContact OD2-NH1 2.58Å; E1017-R1034 IonicContact OE2-CZ 2.79Å; E1017-R1034 IonicContact OE2-NE 2.89Å; E1017-R1034 IonicContact OE2-NH2 2.72Å; E1017-R1034 PolarHBondContact OE2-NH2 3.3Å; D1032-R1034 VanDerWaalsContact C-N 3.34Å; D1032-R1034 WeakPolarHBondContact OD1-CB 3.31Å; D1032-R1034 PolarHBondContact OD1-N 2.94Å; R1034-S1036 VanDerWaalsContact C-N 3.31Å; R1034-S1036 PolarHBondContact O-N 3.18Å; R1034-L1037 PolarHBondContact O-N 3.1Å; R1034-L1038 WeakPolarHBondContact O-CG 3.46Å; R1034-L1038 PolarHBondContact O-N 3.21Å
1035	G	85.5	Confident	77.5	Confident	25 Å²	25	64.9 Å²	64.9	26%	0.258	35%	0.345	S	S	.	.	H	α-helix	trans	-57.9	-42.3	170.4	0	0	0	0	0	112.5	D1032 L1038 M1039	D1032-G1035 PolarHBondContact OD1-N 3.35Å; D1032-G1035 VanDerWaalsContact OD2-CA 3.25Å; D1032-G1035 WeakPolarHBondContact OD2-CA 3.36Å; D1032-G1035 PolarHBondContact OD2-N 3.47Å; G1035-L1038 PolarHBondContact O-N 3.31Å; G1035-M1039 WeakPolarHBondContact O-CG 3.28Å; G1035-M1039 PolarHBondContact O-N 3.48Å
1036	S	87.9	Confident	78.6	Confident	35 Å²	35	63.8 Å²	63.8	25%	0.245	35%	0.348	C	S	.	.	H	α-helix	trans	-61.8	-47	176.6	-58.3	0	0	0	0	112.1	D1032 R1034 L1038 M1039 E1040	D1032-S1036 WeakPolarHBondContact O-CB 3.16Å; D1032-S1036 PolarHBondContact O-N 3.1Å; D1032-S1036 PolarHBondContact O-OG 3.4Å; R1034-S1036 VanDerWaalsContact C-N 3.31Å; R1034-S1036 PolarHBondContact O-N 3.18Å; S1036-L1038 VanDerWaalsContact C-N 3.32Å; S1036-L1038 PolarHBondContact O-N 3.34Å; S1036-M1039 WeakPolarHBondContact O-CB 3.35Å; S1036-M1039 PolarHBondContact O-N 3.01Å; S1036-M1039 VanDerWaalsContact O-N 3.09Å; S1036-E1040 PolarHBondContact O-N 3.22Å
1037	L	89.7	Confident	79.4	Confident	1 Å²	1	66 Å²	66	1%	0.005	36%	0.359	C	S	.	.	H	α-helix	trans	-60.7	-40.1	174.8	176.9	63.7	0	0	0	112.3	M1009 F1013 P1033 R1034 M1039 E1040 W1041 L1070 L1071 I1074	M1009-L1037 HydrophobicContact CE-CD1 3.82Å; M1009-L1037 HydrophobicContact CE-CD2 4.19Å; M1009-L1037 HydrophobicContact CE-CG 4.21Å; F1013-L1037 HydrophobicContact CB-CD2 3.69Å; F1013-L1037 HydrophobicContact CD2-CD2 3.8Å; F1013-L1037 HydrophobicContact CG-CD2 4.07Å; P1033-L1037 WeakPolarHBondContact O-CB 3.29Å; P1033-L1037 PolarHBondContact O-N 3.22Å; R1034-L1037 PolarHBondContact O-N 3.1Å; L1037-M1039 PolarHBondContact O-N 3.45Å; L1037-E1040 PolarHBondContact O-N 2.91Å; L1037-W1041 VanDerWaalsContact O-CB 3.29Å; L1037-W1041 WeakPolarHBondContact O-CB 3.35Å; L1037-W1041 PolarHBondContact O-N 3.27Å; L1037-L1070 HydrophobicContact CB-CD1 3.99Å; L1037-L1070 HydrophobicContact CD1-CB 4Å; L1037-L1071 HydrophobicContact CD1-CD2 3.76Å; L1037-L1071 HydrophobicContact CD1-CG 4.03Å; L1037-I1074 HydrophobicContact CD1-CD1 3.66Å; L1037-I1074 HydrophobicContact CD2-CD1 3.88Å; L1037-I1074 HydrophobicContact CG-CD1 4.44Å
1038	L	90.1	Very high	80.3	Confident	43 Å²	43	62 Å²	62	23%	0.225	33%	0.331	C	S	.	.	H	α-helix	trans	-72.5	-13.5	177.6	-68.2	177.4	0	0	0	113.5	K1006 M1009 V1010 R1034 G1035 S1036 R1042	K1006-L1038 HydrophobicContact CB-CD2 4.15Å; K1006-L1038 HydrophobicContact CG-CD2 4.18Å; M1009-L1038 HydrophobicContact CB-CD2 4.42Å; V1010-L1038 HydrophobicContact CG2-CD1 4.07Å; V1010-L1038 HydrophobicContact CG2-CD2 4.31Å; V1010-L1038 HydrophobicContact CG2-CG 4.42Å; R1034-L1038 WeakPolarHBondContact O-CG 3.46Å; R1034-L1038 PolarHBondContact O-N 3.21Å; G1035-L1038 PolarHBondContact O-N 3.31Å; S1036-L1038 VanDerWaalsContact C-N 3.32Å; S1036-L1038 PolarHBondContact O-N 3.34Å; L1038-R1042 WeakPolarHBondContact O-CB 3.46Å
1039	M	88.8	Confident	80.8	Confident	84 Å²	84	57.5 Å²	57.5	41%	0.414	32%	0.315	S	S	.	.	H	α-helix	trans	-85.2	-48.7	166.1	-70.8	-61.2	-62.5	0	0	111	G1035 S1036 L1037 W1041 R1042 E1043	G1035-M1039 WeakPolarHBondContact O-CG 3.28Å; G1035-M1039 PolarHBondContact O-N 3.48Å; S1036-M1039 WeakPolarHBondContact O-CB 3.35Å; S1036-M1039 PolarHBondContact O-N 3.01Å; S1036-M1039 VanDerWaalsContact O-N 3.09Å; L1037-M1039 PolarHBondContact O-N 3.45Å; M1039-W1041 VanDerWaalsContact C-N 3.29Å; M1039-W1041 PolarHBondContact O-N 3.33Å; M1039-R1042 WeakPolarHBondContact O-CB 3.46Å; M1039-R1042 PolarHBondContact O-N 2.79Å; M1039-R1042 VanDerWaalsContact SD-CZ 3.55Å; M1039-R1042 PolarHBondContact SD-NH2 3.33Å; M1039-R1042 VanDerWaalsContact SD-NH2 3.43Å; M1039-E1043 PolarHBondContact O-N 3.18Å
1040	E	91.6	Very high	81.1	Confident	16 Å²	16	56.3 Å²	56.3	8%	0.075	32%	0.318	C	S	.	.	H	α-helix	trans	-51.8	-47.1	172.9	-74.4	-173.7	-144.3	0	0	111.8	S1036 L1037 R1042 E1043 L1044 F1068 P1069 L1070 L1071	S1036-E1040 PolarHBondContact O-N 3.22Å; L1037-E1040 PolarHBondContact O-N 2.91Å; E1040-R1042 VanDerWaalsContact C-N 3.31Å; E1040-R1042 PolarHBondContact O-N 3.43Å; E1040-E1043 PolarHBondContact O-N 3.48Å; E1040-L1044 WeakPolarHBondContact O-CB 3.29Å; E1040-L1044 PolarHBondContact O-N 3.25Å; E1040-F1068 HydrophobicContact CB-CD1 4.22Å; E1040-F1068 HydrophobicContact CG-CD1 4.47Å; E1040-F1068 VanDerWaalsContact OE2-CA 3.23Å; E1040-F1068 WeakPolarHBondContact OE2-CA 3.22Å; E1040-P1069 VanDerWaalsContact OE1-CD 3.26Å; E1040-P1069 WeakPolarHBondContact OE1-CD 3.33Å; E1040-P1069 WeakPolarHBondContact OE1-CG 3.19Å; E1040-L1070 WeakPolarHBondContact OE1-CB 3.33Å; E1040-L1070 VanDerWaalsContact OE1-CG 3.28Å; E1040-L1070 WeakPolarHBondContact OE1-CG 3.27Å; E1040-L1070 PolarHBondContact OE1-N 3.48Å; E1040-L1070 PolarHBondContact OE2-N 2.94Å; E1040-L1071 HydrophobicContact CB-CD1 3.76Å; E1040-L1071 HydrophobicContact CB-CG 3.95Å; E1040-L1071 WeakPolarHBondContact OE2-CG 3.37Å; E1040-L1071 PolarHBondContact OE2-N 2.88Å
1041	W	91.4	Very high	81.3	Confident	1 Å²	1	57.5 Å²	57.5	0%	0.004	30%	0.297	C	S	.	.	H	α-helix	trans	-64.3	-33.2	178.1	-179.8	-122.8	0	0	0	113.2	V988 F989 W994 Y1004 M1009 L1037 M1039 L1044 K1045 L1071	V988-W1041 HydrophobicContact CG2-CH2 3.95Å; V988-W1041 HydrophobicContact CG2-CZ2 3.44Å; V988-W1041 VanDerWaalsContact CG2-CZ2 3.44Å; V988-W1041 WeakPolarHBondContact O-CH2 3.33Å; F989-W1041 HydrophobicContact CD1-CH2 4.29Å; F989-W1041 HydrophobicContact CD1-CZ3 4.01Å; F989-W1041 HydrophobicContact CE1-CH2 4.46Å; F989-W1041 AromaticContact CE1-CZ3 3.85Å; F989-W1041 HydrophobicContact CE1-CZ3 3.85Å; W994-W1041 AromaticContact CZ2-CH2 3.54Å; W994-W1041 HydrophobicContact CZ2-CH2 3.54Å; W994-W1041 HydrophobicContact CZ2-CZ2 4.07Å; W994-W1041 HydrophobicContact CZ2-CZ3 4.27Å; Y1004-W1041 PolarHBondContact O-NE1 3.45Å; Y1004-W1041 VanDerWaalsContact O-NE1 3.12Å; M1009-W1041 HydrophobicContact CE-CE3 4.32Å; M1009-W1041 HydrophobicContact CG-CD2 3.9Å; M1009-W1041 HydrophobicContact CG-CE3 4.44Å; M1009-W1041 HydrophobicContact CG-CG 3.93Å; M1009-W1041 HydrophobicContact SD-CD2 4.25Å; M1009-W1041 HydrophobicContact SD-CE3 4.19Å; M1009-W1041 HydrophobicContact SD-CZ3 4.43Å; L1037-W1041 VanDerWaalsContact O-CB 3.29Å; L1037-W1041 WeakPolarHBondContact O-CB 3.35Å; L1037-W1041 PolarHBondContact O-N 3.27Å; M1039-W1041 VanDerWaalsContact C-N 3.29Å; M1039-W1041 PolarHBondContact O-N 3.33Å; W1041-L1044 HydrophobicContact CE3-CD2 3.91Å; W1041-L1044 HydrophobicContact CZ3-CD2 3.77Å; W1041-K1045 HydrophobicContact CD2-CD 4.41Å; W1041-K1045 HydrophobicContact CZ2-CD 3.87Å; W1041-K1045 HydrophobicContact CZ2-CG 4.28Å; W1041-K1045 VanDerWaalsContact O-CE 3.26Å; W1041-K1045 WeakPolarHBondContact O-CE 3.41Å; W1041-K1045 WeakPolarHBondContact O-CG 3.2Å; W1041-K1045 PolarHBondContact O-N 3.05Å; W1041-L1071 HydrophobicContact CE3-CD2 4.09Å
1042	R	89.4	Confident	81.1	Confident	105 Å²	105	59 Å²	59	40%	0.396	31%	0.306	S	S	.	.	H	α-helix	trans	-73.7	-42.3	177	-169.7	-170.8	-46.6	-177.3	8.9	111.3	M1002 L1038 M1039 E1040 K1045 A1046	M1002-R1042 HydrophobicContact CE-CG 3.68Å; M1002-R1042 HydrophobicContact SD-CG 3.82Å; L1038-R1042 WeakPolarHBondContact O-CB 3.46Å; M1039-R1042 WeakPolarHBondContact O-CB 3.46Å; M1039-R1042 PolarHBondContact O-N 2.79Å; M1039-R1042 VanDerWaalsContact SD-CZ 3.55Å; M1039-R1042 PolarHBondContact SD-NH2 3.33Å; M1039-R1042 VanDerWaalsContact SD-NH2 3.43Å; E1040-R1042 VanDerWaalsContact C-N 3.31Å; E1040-R1042 PolarHBondContact O-N 3.43Å; R1042-K1045 PolarHBondContact O-N 2.84Å; R1042-A1046 PolarHBondContact O-N 2.97Å; R1042-A1046 VanDerWaalsContact O-N 3.13Å
1043	E	88.2	Confident	80.6	Confident	71 Å²	71	56.3 Å²	56.3	33%	0.332	30%	0.3	S	S	.	.	H	α-helix	trans	-64.2	-44.1	175.1	-76.4	-169.3	-140.3	0	0	111.6	M1039 E1040 K1045 A1046 D1047 R1067 F1068	M1039-E1043 PolarHBondContact O-N 3.18Å; E1040-E1043 PolarHBondContact O-N 3.48Å; E1043-K1045 VanDerWaalsContact C-N 3.32Å; E1043-K1045 PolarHBondContact O-N 2.89Å; E1043-A1046 PolarHBondContact O-N 3.01Å; E1043-A1046 VanDerWaalsContact O-N 3.12Å; E1043-D1047 WeakPolarHBondContact O-CB 3.19Å; E1043-D1047 PolarHBondContact O-N 3.49Å; E1043-R1067 IonicContact OE2-CZ 3.6Å; E1043-R1067 IonicContact OE2-NE 3.87Å; E1043-R1067 PolarHBondContact OE2-NE 3.16Å; E1043-R1067 IonicContact OE2-NH2 3.86Å; E1043-R1067 PolarHBondContact OE2-NH2 3.09Å; E1043-F1068 HydrophobicContact CB-CE1 3.95Å
1044	L	88.7	Confident	80.2	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-55.8	-46.3	174.5	-176.9	71.5	0	0	0	111.5	E1040 W1041 A1046 D1047 Y1048 L1057 I1061 F1068 L1071	E1040-L1044 WeakPolarHBondContact O-CB 3.29Å; E1040-L1044 PolarHBondContact O-N 3.25Å; W1041-L1044 HydrophobicContact CE3-CD2 3.91Å; W1041-L1044 HydrophobicContact CZ3-CD2 3.77Å; L1044-A1046 VanDerWaalsContact C-N 3.31Å; L1044-A1046 PolarHBondContact O-N 3.32Å; L1044-D1047 PolarHBondContact O-N 2.97Å; L1044-Y1048 WeakPolarHBondContact O-CB 3.27Å; L1044-Y1048 PolarHBondContact O-N 2.7Å; L1044-L1057 HydrophobicContact CD1-CD1 4.24Å; L1044-L1057 HydrophobicContact CD2-CD1 3.91Å; L1044-L1057 HydrophobicContact CD2-CG 4.39Å; L1044-L1057 HydrophobicContact CG-CD1 4.16Å; L1044-I1061 HydrophobicContact CD1-CD1 4.5Å; L1044-I1061 HydrophobicContact CD1-CG1 3.84Å; L1044-I1061 HydrophobicContact CD2-CD1 3.83Å; L1044-I1061 HydrophobicContact CD2-CG1 4.04Å; L1044-F1068 HydrophobicContact CB-CE1 4.17Å; L1044-F1068 HydrophobicContact CB-CZ 4.36Å; L1044-F1068 HydrophobicContact CD1-CE2 4.25Å; L1044-F1068 HydrophobicContact CD1-CZ 4.33Å; L1044-L1071 HydrophobicContact CB-CD1 4.12Å; L1044-L1071 HydrophobicContact CD2-CD1 4.03Å
1045	K	87.9	Confident	79.8	Confident	3 Å²	3	58.8 Å²	58.8	1%	0.013	31%	0.31	C	S	.	.	H	α-helix	trans	-65	-32.2	178.6	-72	-178.5	-63.4	173.4	0	113.2	W994 L1001 M1002 Y1004 W1041 R1042 E1043 Y1049	W994-K1045 HydrophobicContact CH2-CG 3.67Å; W994-K1045 HydrophobicContact CZ2-CG 4.09Å; W994-K1045 HydrophobicContact CZ3-CG 4.02Å; L1001-K1045 HydrophobicContact CD1-CD 3.95Å; L1001-K1045 HydrophobicContact CD1-CG 4.44Å; L1001-K1045 HydrophobicContact CG-CB 4.48Å; L1001-K1045 HydrophobicContact CG-CD 4.23Å; L1001-K1045 WeakPolarHBondContact O-CD 3.3Å; L1001-K1045 WeakPolarHBondContact O-CE 3.34Å; L1001-K1045 PolarHBondContact O-NZ 3.44Å; M1002-K1045 PolarHBondContact O-NZ 2.86Å; M1002-K1045 HydrophobicContact SD-CB 4.48Å; Y1004-K1045 PolarHBondContact O-NZ 2.92Å; W1041-K1045 HydrophobicContact CD2-CD 4.41Å; W1041-K1045 HydrophobicContact CZ2-CD 3.87Å; W1041-K1045 HydrophobicContact CZ2-CG 4.28Å; W1041-K1045 VanDerWaalsContact O-CE 3.26Å; W1041-K1045 WeakPolarHBondContact O-CE 3.41Å; W1041-K1045 WeakPolarHBondContact O-CG 3.2Å; W1041-K1045 PolarHBondContact O-N 3.05Å; R1042-K1045 PolarHBondContact O-N 2.84Å; E1043-K1045 VanDerWaalsContact C-N 3.32Å; E1043-K1045 PolarHBondContact O-N 2.89Å; K1045-Y1049 PolarHBondContact O-N 3.06Å
1046	A	83.1	Confident	79.4	Confident	62 Å²	62	62 Å²	62	51%	0.512	32%	0.321	S	S	.	.	H	α-helix	trans	-71.6	-43.4	174	0	0	0	0	0	112.2	M1002 R1042 E1043 L1044 Y1048	M1002-A1046 HydrophobicContact CE-CB 4.3Å; R1042-A1046 PolarHBondContact O-N 2.97Å; R1042-A1046 VanDerWaalsContact O-N 3.13Å; E1043-A1046 PolarHBondContact O-N 3.01Å; E1043-A1046 VanDerWaalsContact O-N 3.12Å; L1044-A1046 VanDerWaalsContact C-N 3.31Å; L1044-A1046 PolarHBondContact O-N 3.32Å; A1046-Y1048 VanDerWaalsContact C-N 3.3Å; A1046-Y1048 PolarHBondContact O-N 2.96Å
1047	D	77.3	Confident	79.1	Confident	70 Å²	70	60.3 Å²	60.3	37%	0.374	31%	0.309	S	S	.	.	H	α-helix	trans	-68.9	-24.5	177.2	-86.5	56.6	0	0	0	113.5	E1043 L1044 R1067	E1043-D1047 WeakPolarHBondContact O-CB 3.19Å; E1043-D1047 PolarHBondContact O-N 3.49Å; L1044-D1047 PolarHBondContact O-N 2.97Å; D1047-R1067 VanDerWaalsContact CG-NH1 3.26Å; D1047-R1067 IonicContact OD1-CZ 2.67Å; D1047-R1067 IonicContact OD1-NH1 3.17Å; D1047-R1067 PolarHBondContact OD1-NH1 3.16Å; D1047-R1067 IonicContact OD1-NH2 3.17Å; D1047-R1067 PolarHBondContact OD1-NH2 3.5Å; D1047-R1067 IonicContact OD2-CZ 2.72Å; D1047-R1067 IonicContact OD2-NH1 2.84Å; D1047-R1067 PolarHBondContact OD2-NH1 3.18Å; D1047-R1067 IonicContact OD2-NH2 3.4Å
1048	Y	70.9	Confident	78.7	Confident	4 Å²	4	61.1 Å²	61.1	2%	0.016	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.3	8.6	-166.4	-141.2	-95.2	0	0	0	115.7	L991 L1044 A1046 T1050 K1051 D1056 L1057 H1060	L991-Y1048 HydrophobicContact CD1-CD1 4.2Å; L991-Y1048 HydrophobicContact CD1-CE1 3.92Å; L1044-Y1048 WeakPolarHBondContact O-CB 3.27Å; L1044-Y1048 PolarHBondContact O-N 2.7Å; A1046-Y1048 VanDerWaalsContact C-N 3.3Å; A1046-Y1048 PolarHBondContact O-N 2.96Å; Y1048-T1050 PolarHBondContact O-N 3.45Å; Y1048-K1051 HydrophobicContact CD1-CB 3.91Å; Y1048-K1051 HydrophobicContact CD2-CD 4.5Å; Y1048-K1051 HydrophobicContact CE1-CB 3.35Å; Y1048-K1051 HydrophobicContact CE1-CD 4.42Å; Y1048-K1051 HydrophobicContact CE1-CG 4.47Å; Y1048-K1051 HydrophobicContact CE2-CB 4.23Å; Y1048-K1051 HydrophobicContact CE2-CD 3.8Å; Y1048-K1051 PolarHBondContact O-N 2.93Å; Y1048-D1056 WeakPolarHBondContact OH-CB 3.43Å; Y1048-D1056 PolarHBondContact OH-O 2.98Å; Y1048-L1057 HydrophobicContact CD1-CD1 3.57Å; Y1048-L1057 HydrophobicContact CD2-CD1 4.36Å; Y1048-L1057 HydrophobicContact CE1-CB 4.3Å; Y1048-L1057 HydrophobicContact CE1-CD1 3.95Å; Y1048-L1057 HydrophobicContact CG-CD1 3.82Å; Y1048-L1057 PolarHBondContact OH-N 3.3Å; Y1048-H1060 HydrophobicContact CD2-CB 4.03Å; Y1048-H1060 AromaticContact CD2-CG 3.76Å; Y1048-H1060 AromaticContact CD2-ND1 3.7Å; Y1048-H1060 HydrophobicContact CE2-CB 3.58Å; Y1048-H1060 AromaticContact CE2-CG 3.76Å; Y1048-H1060 AromaticContact CE2-ND1 3.76Å
1049	Y	64.3	Low	78.3	Confident	122 Å²	122	62.6 Å²	62.6	48%	0.478	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-22.7	-175.3	-171.2	-112.4	0	0	0	115.6	L1001 K1045	L1001-Y1049 HydrophobicContact CD2-CD2 3.48Å; L1001-Y1049 VanDerWaalsContact CD2-CD2 3.48Å; L1001-Y1049 HydrophobicContact CD2-CE2 3.78Å; K1045-Y1049 PolarHBondContact O-N 3.06Å
1050	T	60.5	Low	78.1	Confident	122 Å²	122	59.8 Å²	59.8	75%	0.748	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.8	16.7	-168.8	53.7	0	0	0	0	114.5	Y1048	Y1048-T1050 PolarHBondContact O-N 3.45Å
1051	K	61.5	Low	77.9	Confident	118 Å²	118	59 Å²	59	51%	0.513	31%	0.31	S	S	.	.			trans	-131.7	144.6	-173.7	-71.7	-169.6	174.9	-161.7	0	114.2	Y1048	Y1048-K1051 HydrophobicContact CD1-CB 3.91Å; Y1048-K1051 HydrophobicContact CD2-CD 4.5Å; Y1048-K1051 HydrophobicContact CE1-CB 3.35Å; Y1048-K1051 HydrophobicContact CE1-CD 4.42Å; Y1048-K1051 HydrophobicContact CE1-CG 4.47Å; Y1048-K1051 HydrophobicContact CE2-CB 4.23Å; Y1048-K1051 HydrophobicContact CE2-CD 3.8Å; Y1048-K1051 PolarHBondContact O-N 2.93Å
1052	N	61.6	Low	77.5	Confident	147 Å²	147	59.6 Å²	59.6	79%	0.786	31%	0.314	S	S	*	.			trans	-110.1	138.4	-174.1	-63.8	-16.7	0	0	0	111.6
1053	G	69.4	Low	77.3	Confident	36 Å²	36	61.8 Å²	61.8	37%	0.371	33%	0.326	S	S	.	.			trans	102.8	130.9	171.1	0	0	0	0	0	116.4	K1055 D1056 L1057	G1053-K1055 VanDerWaalsContact C-N 3.34Å; G1053-K1055 PolarHBondContact O-N 3.33Å; G1053-D1056 PolarHBondContact O-N 3.49Å; G1053-L1057 PolarHBondContact O-N 3.34Å
1054	F	72.1	Confident	77.2	Confident	30 Å²	30	63.1 Å²	63.1	13%	0.132	33%	0.329	C	S	.	.	H	α-helix	trans	-56.8	-40	178.1	178.6	-83.7	0	0	0	113.4	Y902 L904 F989 D1056 L1057 I1058	Y902-F1054 WeakPolarHBondContact OH-CE1 3.4Å; L904-F1054 HydrophobicContact CD1-CB 3.9Å; L904-F1054 HydrophobicContact CD1-CD1 4.34Å; L904-F1054 HydrophobicContact CD1-CD2 4.22Å; L904-F1054 HydrophobicContact CD1-CG 3.93Å; L904-F1054 HydrophobicContact CD2-CB 4.4Å; L904-F1054 HydrophobicContact CD2-CD1 3.32Å; L904-F1054 HydrophobicContact CD2-CD2 4.19Å; L904-F1054 HydrophobicContact CD2-CE1 3.42Å; L904-F1054 VanDerWaalsContact CD2-CE1 3.42Å; L904-F1054 HydrophobicContact CD2-CE2 4.26Å; L904-F1054 HydrophobicContact CD2-CG 3.74Å; L904-F1054 HydrophobicContact CD2-CZ 3.9Å; L904-F1054 HydrophobicContact CG-CD1 4.5Å; F989-F1054 HydrophobicContact CB-CD2 3.81Å; F989-F1054 HydrophobicContact CB-CE2 3.58Å; F989-F1054 HydrophobicContact CG-CE2 4.32Å; F1054-D1056 PolarHBondContact O-N 3.48Å; F1054-L1057 WeakPolarHBondContact O-CB 3.34Å; F1054-L1057 PolarHBondContact O-N 3.43Å; F1054-I1058 HydrophobicContact CD1-CD1 4.3Å; F1054-I1058 HydrophobicContact CD1-CG1 3.66Å; F1054-I1058 HydrophobicContact CE1-CD1 3.74Å; F1054-I1058 HydrophobicContact CE1-CG1 3.3Å; F1054-I1058 HydrophobicContact CE2-CD1 4.2Å; F1054-I1058 HydrophobicContact CG-CG1 4.44Å; F1054-I1058 HydrophobicContact CZ-CD1 3.68Å; F1054-I1058 HydrophobicContact CZ-CG1 3.83Å; F1054-I1058 WeakPolarHBondContact O-CG1 3.21Å; F1054-I1058 PolarHBondContact O-N 3.3Å
1055	K	75.6	Confident	76.9	Confident	140 Å²	140	66.5 Å²	66.5	61%	0.609	34%	0.343	S	S	*	.	H	α-helix	trans	-56.8	-38.9	-179.3	-74.3	-170.9	175.4	-174.8	0	112.2	G1053 I1058 S1059	G1053-K1055 VanDerWaalsContact C-N 3.34Å; G1053-K1055 PolarHBondContact O-N 3.33Å; K1055-I1058 PolarHBondContact O-N 3.42Å; K1055-S1059 PolarHBondContact O-N 3.5Å
1056	D	77.5	Confident	76.8	Confident	91 Å²	91	74.9 Å²	74.9	49%	0.487	38%	0.382	S	S	.	.	H	α-helix	trans	-82.3	-27.6	-175.4	-59.9	-4.9	0	0	0	111	Y1048 G1053 F1054 S1059 H1060	Y1048-D1056 WeakPolarHBondContact OH-CB 3.43Å; Y1048-D1056 PolarHBondContact OH-O 2.98Å; G1053-D1056 PolarHBondContact O-N 3.49Å; F1054-D1056 PolarHBondContact O-N 3.48Å; D1056-S1059 PolarHBondContact O-N 2.96Å; D1056-H1060 WeakPolarHBondContact O-CB 3.39Å; D1056-H1060 PolarHBondContact O-N 3.07Å
1057	L	82.2	Confident	76.9	Confident	0 Å²	0	76.9 Å²	76.9	0%	0	38%	0.377	C	S	.	.	H	α-helix	trans	-61.6	-48	167	-168.7	75.9	0	0	0	110.6	F989 L991 W994 L1044 Y1048 G1053 F1054 H1060 I1061	F989-L1057 HydrophobicContact CB-CD2 4.47Å; F989-L1057 HydrophobicContact CD1-CD2 4.1Å; L991-L1057 HydrophobicContact CD1-CB 4.49Å; L991-L1057 HydrophobicContact CD2-CD1 4.31Å; L991-L1057 HydrophobicContact CD2-CD2 4.09Å; W994-L1057 HydrophobicContact CH2-CD1 4.27Å; L1044-L1057 HydrophobicContact CD1-CD1 4.24Å; L1044-L1057 HydrophobicContact CD2-CD1 3.91Å; L1044-L1057 HydrophobicContact CD2-CG 4.39Å; L1044-L1057 HydrophobicContact CG-CD1 4.16Å; Y1048-L1057 HydrophobicContact CD1-CD1 3.57Å; Y1048-L1057 HydrophobicContact CD2-CD1 4.36Å; Y1048-L1057 HydrophobicContact CE1-CB 4.3Å; Y1048-L1057 HydrophobicContact CE1-CD1 3.95Å; Y1048-L1057 HydrophobicContact CG-CD1 3.82Å; Y1048-L1057 PolarHBondContact OH-N 3.3Å; G1053-L1057 PolarHBondContact O-N 3.34Å; F1054-L1057 WeakPolarHBondContact O-CB 3.34Å; F1054-L1057 PolarHBondContact O-N 3.43Å; L1057-H1060 PolarHBondContact O-N 3.06Å; L1057-I1061 HydrophobicContact CG-CD1 4.32Å; L1057-I1061 WeakPolarHBondContact O-CG1 3.41Å; L1057-I1061 PolarHBondContact O-N 3.2Å
1058	I	81.3	Confident	77.4	Confident	19 Å²	19	73.5 Å²	73.5	10%	0.097	36%	0.359	C	S	.	.	H	α-helix	trans	-59.9	-47.3	174.1	-63.1	-37.6	0	0	0	110.9	F1054 K1055 H1060 I1061 C1062 I1075 K1079	F1054-I1058 HydrophobicContact CD1-CD1 4.3Å; F1054-I1058 HydrophobicContact CD1-CG1 3.66Å; F1054-I1058 HydrophobicContact CE1-CD1 3.74Å; F1054-I1058 HydrophobicContact CE1-CG1 3.3Å; F1054-I1058 HydrophobicContact CE2-CD1 4.2Å; F1054-I1058 HydrophobicContact CG-CG1 4.44Å; F1054-I1058 HydrophobicContact CZ-CD1 3.68Å; F1054-I1058 HydrophobicContact CZ-CG1 3.83Å; F1054-I1058 WeakPolarHBondContact O-CG1 3.21Å; F1054-I1058 PolarHBondContact O-N 3.3Å; K1055-I1058 PolarHBondContact O-N 3.42Å; I1058-H1060 PolarHBondContact O-N 2.92Å; I1058-I1061 PolarHBondContact O-N 3Å; I1058-C1062 PolarHBondContact O-N 3.47Å; I1058-C1062 PolarHBondContact O-SG 3.4Å; I1058-I1075 HydrophobicContact CD1-CB 4.39Å; I1058-I1075 HydrophobicContact CD1-CD1 3.39Å; I1058-I1075 HydrophobicContact CD1-CG1 3.74Å; I1058-I1075 HydrophobicContact CD1-CG2 3.82Å; I1058-I1075 HydrophobicContact CG1-CG2 4.46Å; I1058-I1075 HydrophobicContact CG2-CG2 3.82Å; I1058-K1079 HydrophobicContact CG2-CD 4.28Å
1059	S	81.9	Confident	78.2	Confident	74 Å²	74	76.1 Å²	76.1	52%	0.517	38%	0.376	S	S	.	.	H	α-helix	trans	-60.8	-34.7	178	-172.9	0	0	0	0	112.3	K1055 D1056 K1063	K1055-S1059 PolarHBondContact O-N 3.5Å; D1056-S1059 PolarHBondContact O-N 2.96Å; S1059-K1063 WeakPolarHBondContact O-CB 3.29Å; S1059-K1063 PolarHBondContact O-N 3.14Å
1060	H	84.5	Confident	79.3	Confident	25 Å²	25	71.1 Å²	71.1	12%	0.116	36%	0.358	C	S	.	.	H	α-helix	trans	-70.2	-48.4	176.4	-176.8	106.3	0	0	0	111.6	Y1048 D1056 L1057 I1058 C1062 K1063 Y1064 F1068	Y1048-H1060 HydrophobicContact CD2-CB 4.03Å; Y1048-H1060 AromaticContact CD2-CG 3.76Å; Y1048-H1060 AromaticContact CD2-ND1 3.7Å; Y1048-H1060 HydrophobicContact CE2-CB 3.58Å; Y1048-H1060 AromaticContact CE2-CG 3.76Å; Y1048-H1060 AromaticContact CE2-ND1 3.76Å; D1056-H1060 WeakPolarHBondContact O-CB 3.39Å; D1056-H1060 PolarHBondContact O-N 3.07Å; L1057-H1060 PolarHBondContact O-N 3.06Å; I1058-H1060 PolarHBondContact O-N 2.92Å; H1060-C1062 PolarHBondContact O-N 2.62Å; H1060-K1063 PolarHBondContact O-N 3.43Å; H1060-Y1064 AromaticContact CD2-CD2 3.82Å; H1060-Y1064 AromaticContact CE1-CD2 3.67Å; H1060-Y1064 AromaticContact CE1-CE2 3.69Å; H1060-Y1064 AromaticContact CG-CD2 3.96Å; H1060-Y1064 AromaticContact ND1-CD2 3.86Å; H1060-Y1064 AromaticContact ND1-CE2 3.78Å; H1060-Y1064 AromaticContact NE2-CD2 3.62Å; H1060-Y1064 WeakPolarHBondContact O-CD2 3.28Å; H1060-Y1064 PolarHBondContact O-N 3.09Å; H1060-F1068 AromaticContact CD2-CE2 3.77Å; H1060-F1068 AromaticContact NE2-CE2 3.52Å
1061	I	85.9	Confident	80.7	Confident	0 Å²	0	65.3 Å²	65.3	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-58	-47	177.4	-66.7	164.6	0	0	0	110.7	L1044 L1057 I1058 Y1064 K1065 F1068 L1071 N1072 I1075	L1044-I1061 HydrophobicContact CD1-CD1 4.5Å; L1044-I1061 HydrophobicContact CD1-CG1 3.84Å; L1044-I1061 HydrophobicContact CD2-CD1 3.83Å; L1044-I1061 HydrophobicContact CD2-CG1 4.04Å; L1057-I1061 HydrophobicContact CG-CD1 4.32Å; L1057-I1061 WeakPolarHBondContact O-CG1 3.41Å; L1057-I1061 PolarHBondContact O-N 3.2Å; I1058-I1061 PolarHBondContact O-N 3Å; I1061-Y1064 CarbonylContact O-C 3.58Å; I1061-Y1064 PolarHBondContact O-N 3.47Å; I1061-K1065 WeakPolarHBondContact O-CA 3.42Å; I1061-K1065 PolarHBondContact O-N 3.46Å; I1061-F1068 HydrophobicContact CG2-CB 4.31Å; I1061-L1071 HydrophobicContact CG2-CB 4.01Å; I1061-N1072 HydrophobicContact CG2-CB 3.88Å; I1061-I1075 HydrophobicContact CB-CG1 4.49Å; I1061-I1075 HydrophobicContact CD1-CD1 4.16Å; I1061-I1075 HydrophobicContact CD1-CG1 3.73Å; I1061-I1075 HydrophobicContact CG2-CG1 4.05Å
1062	C	83.6	Confident	82	Confident	13 Å²	13	60.3 Å²	60.3	9%	0.088	30%	0.301	C	S	.	.	H	α-helix	trans	-68.6	-36.8	178.6	-64.6	0	0	0	0	112.7	I1058 H1060 Y1064 K1065 N1072	I1058-C1062 PolarHBondContact O-N 3.47Å; I1058-C1062 PolarHBondContact O-SG 3.4Å; H1060-C1062 PolarHBondContact O-N 2.62Å; C1062-Y1064 VanDerWaalsContact C-N 3.33Å; C1062-Y1064 PolarHBondContact O-N 2.72Å; C1062-K1065 WeakPolarHBondContact O-CB 3.31Å; C1062-K1065 WeakPolarHBondContact O-CD 3.24Å; C1062-K1065 VanDerWaalsContact O-CG 3.27Å; C1062-K1065 WeakPolarHBondContact O-CG 3.35Å; C1062-K1065 PolarHBondContact O-N 2.7Å; C1062-N1072 PolarHBondContact SG-OD1 3.06Å; C1062-N1072 VanDerWaalsContact SG-OD1 3.34Å
1063	K	85.2	Confident	83.1	Confident	151 Å²	151	55.6 Å²	55.6	66%	0.657	27%	0.274	S	S	*	.	H	α-helix	trans	-62.3	-39.7	174.4	-178.1	-180	179.7	-169.2	0	112.1	S1059 H1060	S1059-K1063 WeakPolarHBondContact O-CB 3.29Å; S1059-K1063 PolarHBondContact O-N 3.14Å; H1060-K1063 PolarHBondContact O-N 3.43Å
1064	Y	85.8	Confident	84.1	Confident	99 Å²	99	54 Å²	54	39%	0.388	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.6	31	-178.3	-60.6	-71.9	0	0	0	112.7	H1060 I1061 C1062 Q1066 R1067 F1068	H1060-Y1064 AromaticContact CD2-CD2 3.82Å; H1060-Y1064 AromaticContact CE1-CD2 3.67Å; H1060-Y1064 AromaticContact CE1-CE2 3.69Å; H1060-Y1064 AromaticContact CG-CD2 3.96Å; H1060-Y1064 AromaticContact ND1-CD2 3.86Å; H1060-Y1064 AromaticContact ND1-CE2 3.78Å; H1060-Y1064 AromaticContact NE2-CD2 3.62Å; H1060-Y1064 WeakPolarHBondContact O-CD2 3.28Å; H1060-Y1064 PolarHBondContact O-N 3.09Å; I1061-Y1064 CarbonylContact O-C 3.58Å; I1061-Y1064 PolarHBondContact O-N 3.47Å; C1062-Y1064 VanDerWaalsContact C-N 3.33Å; C1062-Y1064 PolarHBondContact O-N 2.72Å; Y1064-Q1066 PolarHBondContact O-N 3.26Å; Y1064-R1067 PolarHBondContact O-N 3.06Å; Y1064-F1068 PolarHBondContact O-N 2.98Å
1065	K	83.1	Confident	84.8	Confident	70 Å²	70	52.5 Å²	52.5	30%	0.304	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-13.5	-175.3	60.1	-173.7	164.8	-170.9	0	117	D684 I1061 C1062 P1069 N1072	D684-K1065 IonicContact OD1-NZ 2.78Å; D684-K1065 PolarHBondContact OD1-NZ 3.35Å; D684-K1065 IonicContact OD2-NZ 3.18Å; D684-K1065 PolarHBondContact OD2-NZ 3.38Å; I1061-K1065 WeakPolarHBondContact O-CA 3.42Å; I1061-K1065 PolarHBondContact O-N 3.46Å; C1062-K1065 WeakPolarHBondContact O-CB 3.31Å; C1062-K1065 WeakPolarHBondContact O-CD 3.24Å; C1062-K1065 VanDerWaalsContact O-CG 3.27Å; C1062-K1065 WeakPolarHBondContact O-CG 3.35Å; C1062-K1065 PolarHBondContact O-N 2.7Å; K1065-P1069 WeakPolarHBondContact O-CA 3.42Å; K1065-N1072 HydrophobicContact CB-CB 4.09Å
1066	Q	85.6	Confident	85.3	Confident	179 Å²	179	47.9 Å²	47.9	84%	0.836	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-24.5	171.7	-60.6	-66.1	-2.6	0	0	113.2	Y1064	Y1064-Q1066 PolarHBondContact O-N 3.26Å
1067	R	85.6	Confident	85.8	Confident	104 Å²	104	44 Å²	44	39%	0.392	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93	-26.1	173.7	-177.8	173.9	172.8	-148.2	-8.8	112.1	E1043 D1047 Y1064 P1069	E1043-R1067 IonicContact OE2-CZ 3.6Å; E1043-R1067 IonicContact OE2-NE 3.87Å; E1043-R1067 PolarHBondContact OE2-NE 3.16Å; E1043-R1067 IonicContact OE2-NH2 3.86Å; E1043-R1067 PolarHBondContact OE2-NH2 3.09Å; D1047-R1067 VanDerWaalsContact CG-NH1 3.26Å; D1047-R1067 IonicContact OD1-CZ 2.67Å; D1047-R1067 IonicContact OD1-NH1 3.17Å; D1047-R1067 PolarHBondContact OD1-NH1 3.16Å; D1047-R1067 IonicContact OD1-NH2 3.17Å; D1047-R1067 PolarHBondContact OD1-NH2 3.5Å; D1047-R1067 IonicContact OD2-CZ 2.72Å; D1047-R1067 IonicContact OD2-NH1 2.84Å; D1047-R1067 PolarHBondContact OD2-NH1 3.18Å; D1047-R1067 IonicContact OD2-NH2 3.4Å; Y1064-R1067 PolarHBondContact O-N 3.06Å; R1067-P1069 WeakPolarHBondContact O-CD 3.43Å
1068	F	88.3	Confident	86.1	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	21%	0.213	C	C	.	.	S	Bend	trans	-119	53	-179.9	-56.5	-54.3	0	0	0	112.8	E1040 E1043 L1044 H1060 I1061 Y1064 L1071 N1072	E1040-F1068 HydrophobicContact CB-CD1 4.22Å; E1040-F1068 HydrophobicContact CG-CD1 4.47Å; E1040-F1068 VanDerWaalsContact OE2-CA 3.23Å; E1040-F1068 WeakPolarHBondContact OE2-CA 3.22Å; E1043-F1068 HydrophobicContact CB-CE1 3.95Å; L1044-F1068 HydrophobicContact CB-CE1 4.17Å; L1044-F1068 HydrophobicContact CB-CZ 4.36Å; L1044-F1068 HydrophobicContact CD1-CE2 4.25Å; L1044-F1068 HydrophobicContact CD1-CZ 4.33Å; H1060-F1068 AromaticContact CD2-CE2 3.77Å; H1060-F1068 AromaticContact NE2-CE2 3.52Å; I1061-F1068 HydrophobicContact CG2-CB 4.31Å; Y1064-F1068 PolarHBondContact O-N 2.98Å; F1068-L1071 HydrophobicContact CB-CB 4.13Å; F1068-L1071 HydrophobicContact CB-CD1 4.09Å; F1068-L1071 HydrophobicContact CD1-CD1 3.86Å; F1068-L1071 HydrophobicContact CG-CD1 4.17Å; F1068-N1072 WeakPolarHBondContact O-CB 3.34Å; F1068-N1072 PolarHBondContact O-N 3.14Å
1069	P	87.5	Confident	86.4	Confident	59 Å²	59	45.1 Å²	45.1	38%	0.383	22%	0.215	S	C	.	.	H	α-helix	trans	-67.6	-38.1	-172.4	27.6	-35.6	0	0	0	114.1	E1040 K1065 R1067 K1073	E1040-P1069 VanDerWaalsContact OE1-CD 3.26Å; E1040-P1069 WeakPolarHBondContact OE1-CD 3.33Å; E1040-P1069 WeakPolarHBondContact OE1-CG 3.19Å; K1065-P1069 WeakPolarHBondContact O-CA 3.42Å; R1067-P1069 WeakPolarHBondContact O-CD 3.43Å; P1069-K1073 WeakPolarHBondContact O-CG 3.25Å; P1069-K1073 PolarHBondContact O-N 3.28Å
1070	L	87.8	Confident	86.7	Confident	16 Å²	16	41.6 Å²	41.6	8%	0.084	19%	0.19	C	C	.	.	H	α-helix	trans	-74	-45.3	177.6	-61.7	174.1	0	0	0	110.7	V1026 P1033 L1037 E1040 N1072 K1073 I1074	V1026-L1070 HydrophobicContact CG2-CD2 3.79Å; P1033-L1070 WeakPolarHBondContact O-CD1 3.41Å; L1037-L1070 HydrophobicContact CB-CD1 3.99Å; L1037-L1070 HydrophobicContact CD1-CB 4Å; E1040-L1070 WeakPolarHBondContact OE1-CB 3.33Å; E1040-L1070 VanDerWaalsContact OE1-CG 3.28Å; E1040-L1070 WeakPolarHBondContact OE1-CG 3.27Å; E1040-L1070 PolarHBondContact OE1-N 3.48Å; E1040-L1070 PolarHBondContact OE2-N 2.94Å; L1070-N1072 VanDerWaalsContact C-N 3.3Å; L1070-N1072 PolarHBondContact O-N 3.4Å; L1070-K1073 WeakPolarHBondContact O-CB 3.3Å; L1070-K1073 PolarHBondContact O-N 2.6Å; L1070-K1073 VanDerWaalsContact O-N 3.13Å; L1070-I1074 WeakPolarHBondContact O-CG1 3.41Å; L1070-I1074 PolarHBondContact O-N 2.92Å
1071	L	89.1	Confident	87	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-56	-44.8	173	-71.5	174	0	0	0	111.5	M1009 L1037 E1040 W1041 L1044 I1061 F1068 K1073 I1074 I1075	M1009-L1071 HydrophobicContact CE-CD2 3.44Å; M1009-L1071 VanDerWaalsContact CE-CD2 3.44Å; L1037-L1071 HydrophobicContact CD1-CD2 3.76Å; L1037-L1071 HydrophobicContact CD1-CG 4.03Å; E1040-L1071 HydrophobicContact CB-CD1 3.76Å; E1040-L1071 HydrophobicContact CB-CG 3.95Å; E1040-L1071 WeakPolarHBondContact OE2-CG 3.37Å; E1040-L1071 PolarHBondContact OE2-N 2.88Å; W1041-L1071 HydrophobicContact CE3-CD2 4.09Å; L1044-L1071 HydrophobicContact CB-CD1 4.12Å; L1044-L1071 HydrophobicContact CD2-CD1 4.03Å; I1061-L1071 HydrophobicContact CG2-CB 4.01Å; F1068-L1071 HydrophobicContact CB-CB 4.13Å; F1068-L1071 HydrophobicContact CB-CD1 4.09Å; F1068-L1071 HydrophobicContact CD1-CD1 3.86Å; F1068-L1071 HydrophobicContact CG-CD1 4.17Å; L1071-K1073 VanDerWaalsContact C-N 3.31Å; L1071-K1073 PolarHBondContact O-N 3.17Å; L1071-I1074 WeakPolarHBondContact O-CB 3.28Å; L1071-I1074 PolarHBondContact O-N 3.06Å; L1071-I1074 VanDerWaalsContact O-N 3.12Å; L1071-I1075 WeakPolarHBondContact O-CG1 3.12Å; L1071-I1075 PolarHBondContact O-N 3.5Å
1072	N	87.8	Confident	87.2	Confident	14 Å²	14	40.4 Å²	40.4	8%	0.075	18%	0.184	C	C	.	.	H	α-helix	trans	-62.6	-35.4	178.6	-178.7	72.8	0	0	0	112.4	I1061 C1062 K1065 F1068 L1070 I1075 Q1076	I1061-N1072 HydrophobicContact CG2-CB 3.88Å; C1062-N1072 PolarHBondContact SG-OD1 3.06Å; C1062-N1072 VanDerWaalsContact SG-OD1 3.34Å; K1065-N1072 HydrophobicContact CB-CB 4.09Å; F1068-N1072 WeakPolarHBondContact O-CB 3.34Å; F1068-N1072 PolarHBondContact O-N 3.14Å; L1070-N1072 VanDerWaalsContact C-N 3.3Å; L1070-N1072 PolarHBondContact O-N 3.4Å; N1072-I1075 PolarHBondContact O-N 2.89Å; N1072-Q1076 PolarHBondContact ND2-NE2 3.2Å; N1072-Q1076 VanDerWaalsContact O-CG 3.32Å; N1072-Q1076 WeakPolarHBondContact O-CG 3.3Å; N1072-Q1076 PolarHBondContact O-N 2.8Å
1073	K	85.8	Confident	87.5	Confident	48 Å²	48	40.3 Å²	40.3	21%	0.209	18%	0.184	C	C	.	.	H	α-helix	trans	-65.5	-42.1	171.3	-70.5	174.8	179.6	179.5	0	112.1	F1022 D1025 P1069 L1070 L1071 Q1076 V1077	F1022-K1073 HydrophobicContact CD2-CB 4.12Å; F1022-K1073 HydrophobicContact CD2-CD 4.28Å; F1022-K1073 HydrophobicContact CE2-CB 3.64Å; F1022-K1073 HydrophobicContact CE2-CD 4.15Å; D1025-K1073 PolarHBondContact O-NZ 2.83Å; P1069-K1073 WeakPolarHBondContact O-CG 3.25Å; P1069-K1073 PolarHBondContact O-N 3.28Å; L1070-K1073 WeakPolarHBondContact O-CB 3.3Å; L1070-K1073 PolarHBondContact O-N 2.6Å; L1070-K1073 VanDerWaalsContact O-N 3.13Å; L1071-K1073 VanDerWaalsContact C-N 3.31Å; L1071-K1073 PolarHBondContact O-N 3.17Å; K1073-Q1076 PolarHBondContact O-N 3.43Å; K1073-V1077 PolarHBondContact O-N 3.37Å
1074	I	89.3	Confident	87.6	Confident	1 Å²	1	34 Å²	34	1%	0.005	16%	0.158	C	C	.	.	H	α-helix	trans	-57.7	-50.9	174.1	-62.6	172.3	0	0	0	109.8	F989 M1009 I1012 L1016 L1037 L1070 L1071 Q1076 V1077 L1078	F989-I1074 HydrophobicContact CE2-CG2 4.28Å; F989-I1074 HydrophobicContact CZ-CG2 4Å; M1009-I1074 HydrophobicContact CE-CD1 3.64Å; I1012-I1074 HydrophobicContact CG2-CD1 4.17Å; I1012-I1074 HydrophobicContact CG2-CG1 4.3Å; I1012-I1074 HydrophobicContact CG2-CG2 3.63Å; L1016-I1074 HydrophobicContact CD1-CB 4.12Å; L1016-I1074 HydrophobicContact CD1-CG1 3.63Å; L1016-I1074 HydrophobicContact CD1-CG2 4.15Å; L1037-I1074 HydrophobicContact CD1-CD1 3.66Å; L1037-I1074 HydrophobicContact CD2-CD1 3.88Å; L1037-I1074 HydrophobicContact CG-CD1 4.44Å; L1070-I1074 WeakPolarHBondContact O-CG1 3.41Å; L1070-I1074 PolarHBondContact O-N 2.92Å; L1071-I1074 WeakPolarHBondContact O-CB 3.28Å; L1071-I1074 PolarHBondContact O-N 3.06Å; L1071-I1074 VanDerWaalsContact O-N 3.12Å; I1074-Q1076 VanDerWaalsContact C-N 3.33Å; I1074-Q1076 PolarHBondContact O-N 3.31Å; I1074-V1077 PolarHBondContact O-N 3.05Å; I1074-V1077 VanDerWaalsContact O-N 3.12Å; I1074-L1078 HydrophobicContact CG2-CD1 3.89Å; I1074-L1078 HydrophobicContact CG2-CG 4.22Å; I1074-L1078 WeakPolarHBondContact O-CG 3.41Å; I1074-L1078 PolarHBondContact O-N 3.04Å
1075	I	87.5	Confident	87.6	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-59.8	-39.3	179.5	-69.4	-34.7	0	0	0	112.5	F989 I1058 I1061 L1071 N1072 V1077 L1078 K1079	F989-I1075 HydrophobicContact CD1-CD1 4.47Å; F989-I1075 HydrophobicContact CE1-CD1 4.08Å; F989-I1075 HydrophobicContact CZ-CD1 4.23Å; I1058-I1075 HydrophobicContact CD1-CB 4.39Å; I1058-I1075 HydrophobicContact CD1-CD1 3.39Å; I1058-I1075 HydrophobicContact CD1-CG1 3.74Å; I1058-I1075 HydrophobicContact CD1-CG2 3.82Å; I1058-I1075 HydrophobicContact CG1-CG2 4.46Å; I1058-I1075 HydrophobicContact CG2-CG2 3.82Å; I1061-I1075 HydrophobicContact CB-CG1 4.49Å; I1061-I1075 HydrophobicContact CD1-CD1 4.16Å; I1061-I1075 HydrophobicContact CD1-CG1 3.73Å; I1061-I1075 HydrophobicContact CG2-CG1 4.05Å; L1071-I1075 WeakPolarHBondContact O-CG1 3.12Å; L1071-I1075 PolarHBondContact O-N 3.5Å; N1072-I1075 PolarHBondContact O-N 2.89Å; I1075-V1077 VanDerWaalsContact C-N 3.33Å; I1075-V1077 PolarHBondContact O-N 3.3Å; I1075-L1078 HydrophobicContact CD1-CD1 4.12Å; I1075-L1078 PolarHBondContact O-N 2.78Å; I1075-K1079 HydrophobicContact CG2-CD 3.81Å; I1075-K1079 HydrophobicContact CG2-CG 4.34Å; I1075-K1079 WeakPolarHBondContact O-CB 3.23Å; I1075-K1079 VanDerWaalsContact O-CG 3.27Å; I1075-K1079 WeakPolarHBondContact O-CG 3.32Å; I1075-K1079 PolarHBondContact O-N 3.25Å
1076	Q	86.1	Confident	87.7	Confident	42 Å²	42	26.6 Å²	26.6	20%	0.196	13%	0.131	C	C	.	.	H	α-helix	trans	-60.6	-40.6	175.1	-78.3	174.2	-8.4	0	0	112.3	P656 N1072 K1073 I1074 V1080	P656-Q1076 HydrophobicContact CG-CB 4.35Å; P656-Q1076 HydrophobicContact CG-CG 4.48Å; N1072-Q1076 PolarHBondContact ND2-NE2 3.2Å; N1072-Q1076 VanDerWaalsContact O-CG 3.32Å; N1072-Q1076 WeakPolarHBondContact O-CG 3.3Å; N1072-Q1076 PolarHBondContact O-N 2.8Å; K1073-Q1076 PolarHBondContact O-N 3.43Å; I1074-Q1076 VanDerWaalsContact C-N 3.33Å; I1074-Q1076 PolarHBondContact O-N 3.31Å; Q1076-V1080 WeakPolarHBondContact O-CG2 3.46Å
1077	V	88.3	Confident	87.8	Confident	11 Å²	11	19 Å²	19	7%	0.067	10%	0.097	C	C	.	.	H	α-helix	trans	-68.6	-47.6	174.5	174.9	0	0	0	0	111.2	V727 L1016 K1073 I1074 I1075 K1079 V1080 L1081	V727-V1077 HydrophobicContact CB-CG1 4.13Å; V727-V1077 HydrophobicContact CG1-CG1 4.4Å; V727-V1077 HydrophobicContact CG2-CG1 4.09Å; L1016-V1077 HydrophobicContact CD2-CB 4.06Å; L1016-V1077 HydrophobicContact CD2-CG1 3.77Å; L1016-V1077 HydrophobicContact CD2-CG2 4.04Å; K1073-V1077 PolarHBondContact O-N 3.37Å; I1074-V1077 PolarHBondContact O-N 3.05Å; I1074-V1077 VanDerWaalsContact O-N 3.12Å; I1075-V1077 VanDerWaalsContact C-N 3.33Å; I1075-V1077 PolarHBondContact O-N 3.3Å; V1077-K1079 VanDerWaalsContact C-N 3.32Å; V1077-K1079 PolarHBondContact O-N 2.92Å; V1077-V1080 PolarHBondContact O-N 3.45Å; V1077-L1081 PolarHBondContact O-N 2.72Å
1078	L	88.6	Confident	88	Confident	11 Å²	11	14.1 Å²	14.1	6%	0.058	8%	0.079	C	C	.	.	H	α-helix	trans	-59.6	-39	-178.8	-67.2	179.6	0	0	0	113.3	V905 F982 C986 F989 I1074 I1075 V1080 L1081	V905-L1078 HydrophobicContact CG1-CD2 4.34Å; F982-L1078 HydrophobicContact CE1-CD2 3.62Å; F982-L1078 HydrophobicContact CZ-CD2 3.73Å; C986-L1078 VanDerWaalsContact SG-CD2 3.51Å; F989-L1078 HydrophobicContact CD2-CD1 3.84Å; F989-L1078 HydrophobicContact CE2-CD1 3.5Å; F989-L1078 HydrophobicContact CZ-CD1 4.23Å; I1074-L1078 HydrophobicContact CG2-CD1 3.89Å; I1074-L1078 HydrophobicContact CG2-CG 4.22Å; I1074-L1078 WeakPolarHBondContact O-CG 3.41Å; I1074-L1078 PolarHBondContact O-N 3.04Å; I1075-L1078 HydrophobicContact CD1-CD1 4.12Å; I1075-L1078 PolarHBondContact O-N 2.78Å; L1078-V1080 PolarHBondContact O-N 3.19Å; L1078-L1081 HydrophobicContact CD2-CD1 4.08Å; L1078-L1081 PolarHBondContact O-N 2.95Å
1079	K	86.4	Confident	87.9	Confident	30 Å²	30	15.9 Å²	15.9	13%	0.13	9%	0.087	C	C	.	.	H	α-helix	trans	-60.6	-31.7	174.5	-74.6	166	62.7	-179.4	0	112.5	Q679 G685 P687 I1058 I1075 V1077	Q679-K1079 PolarHBondContact NE2-O 3.12Å; G685-K1079 WeakPolarHBondContact O-CE 3.44Å; G685-K1079 PolarHBondContact O-NZ 3.36Å; P687-K1079 WeakPolarHBondContact CB-O 3.44Å; P687-K1079 VanDerWaalsContact CG-O 3.25Å; P687-K1079 WeakPolarHBondContact CG-O 3.43Å; I1058-K1079 HydrophobicContact CG2-CD 4.28Å; I1075-K1079 HydrophobicContact CG2-CD 3.81Å; I1075-K1079 HydrophobicContact CG2-CG 4.34Å; I1075-K1079 WeakPolarHBondContact O-CB 3.23Å; I1075-K1079 VanDerWaalsContact O-CG 3.27Å; I1075-K1079 WeakPolarHBondContact O-CG 3.32Å; I1075-K1079 PolarHBondContact O-N 3.25Å; V1077-K1079 VanDerWaalsContact C-N 3.32Å; V1077-K1079 PolarHBondContact O-N 2.92Å
1080	V	89.4	Confident	87.9	Confident	0 Å²	0	18.9 Å²	18.9	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-90	-7	-173	170.9	0	0	0	0	112.6	S659 Q679 T681 V727 Q1076 V1077 L1078	S659-V1080 WeakPolarHBondContact CB-O 3.38Å; S659-V1080 PolarHBondContact OG-O 3.04Å; Q679-V1080 PolarHBondContact NE2-O 2.78Å; T681-V1080 HydrophobicContact CG2-CG2 3.56Å; V727-V1080 HydrophobicContact CG2-CG1 4.07Å; Q1076-V1080 WeakPolarHBondContact O-CG2 3.46Å; V1077-V1080 PolarHBondContact O-N 3.45Å; L1078-V1080 PolarHBondContact O-N 3.19Å
1081	L	91.3	Very high	88	Confident	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.091	C	C	.	.	S	Bend	trans	-71.2	141	179.3	-64.8	-179.4	0	0	0	113.1	Q679 V727 L756 L758 V905 F982 V1077 L1078 T1083	Q679-L1081 PolarHBondContact NE2-O 2.92Å; Q679-L1081 PolarHBondContact OE1-O 3.44Å; V727-L1081 HydrophobicContact CG2-CD2 4.35Å; L756-L1081 HydrophobicContact CB-CD2 4.28Å; L756-L1081 HydrophobicContact CD1-CD1 3.86Å; L756-L1081 HydrophobicContact CD1-CD2 3.85Å; L758-L1081 HydrophobicContact CD1-CB 4.42Å; L758-L1081 HydrophobicContact CD1-CD1 4.4Å; L758-L1081 HydrophobicContact CD1-CD2 4.29Å; L758-L1081 HydrophobicContact CD2-CB 4.17Å; V905-L1081 HydrophobicContact CG1-CD1 4.07Å; V905-L1081 HydrophobicContact CG2-CB 4.11Å; V905-L1081 HydrophobicContact CG2-CD1 4.09Å; F982-L1081 HydrophobicContact CE1-CD1 3.85Å; V1077-L1081 PolarHBondContact O-N 2.72Å; L1078-L1081 HydrophobicContact CD2-CD1 4.08Å; L1078-L1081 PolarHBondContact O-N 2.95Å; L1081-T1083 PolarHBondContact O-N 3.41Å; L1081-T1083 VanDerWaalsContact O-N 3.08Å
1082	P	90.2	Very high	87.9	Confident	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.096	C	C	.	.			trans	-75.6	99	-176.5	29.7	-33.1	0	0	0	111.5	I661 L758 F760	I661-P1082 HydrophobicContact CD1-CB 3.89Å; I661-P1082 HydrophobicContact CG1-CB 3.63Å; L758-P1082 HydrophobicContact CB-CG 4.48Å; F760-P1082 HydrophobicContact CD2-CB 3.99Å; F760-P1082 HydrophobicContact CE2-CB 3.81Å
1083	T	88.4	Confident	87.9	Confident	12 Å²	12	22.6 Å²	22.6	7%	0.074	11%	0.113	C	C	.	.			trans	-121.7	-24.7	178.3	62.9	0	0	0	0	114.2	L758 F898 L903 V905 V908 L1081	L758-T1083 HydrophobicContact CD2-CG2 3.88Å; F898-T1083 WeakPolarHBondContact CD1-O 3.38Å; L903-T1083 WeakPolarHBondContact O-CB 3.27Å; L903-T1083 PolarHBondContact O-OG1 2.82Å; V905-T1083 HydrophobicContact CG2-CG2 3.83Å; V908-T1083 HydrophobicContact CG2-CG2 3.82Å; L1081-T1083 PolarHBondContact O-N 3.41Å; L1081-T1083 VanDerWaalsContact O-N 3.08Å
1084	S	87.1	Confident	88.1	Confident	18 Å²	18	20.3 Å²	20.3	13%	0.126	10%	0.103	C	C	.	.			trans	-108.9	135.1	179.3	174.6	0	0	0	0	111.6	F760 F898 G900 A1086	F760-S1084 WeakPolarHBondContact CE2-O 3.19Å; F760-S1084 VanDerWaalsContact CZ-O 3.31Å; F760-S1084 WeakPolarHBondContact CZ-O 3.48Å; F898-S1084 WeakPolarHBondContact O-CA 3.44Å; G900-S1084 WeakPolarHBondContact O-CB 3.31Å; G900-S1084 PolarHBondContact O-OG 2.92Å; S1084-A1086 PolarHBondContact OG-N 2.92Å
1085	T	86.8	Confident	88	Confident	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.105	C	C	.	.			trans	-102.8	6.6	179	69.5	0	0	0	0	113.5	F760 M761 V762 F898 Q899 C1087 C1088 E1089	F760-T1085 HydrophobicContact CD1-CG2 3.72Å; F760-T1085 HydrophobicContact CD2-CG2 3.89Å; F760-T1085 HydrophobicContact CE1-CG2 3.49Å; F760-T1085 VanDerWaalsContact CE1-CG2 3.49Å; F760-T1085 HydrophobicContact CE2-CG2 3.7Å; F760-T1085 HydrophobicContact CG-CG2 3.9Å; F760-T1085 HydrophobicContact CZ-CG2 3.5Å; F760-T1085 VanDerWaalsContact CZ-CG2 3.5Å; M761-T1085 VanDerWaalsContact C-CG2 3.44Å; M761-T1085 WeakPolarHBondContact O-CB 3.43Å; M761-T1085 WeakPolarHBondContact O-CG2 3.36Å; M761-T1085 PolarHBondContact O-OG1 3.4Å; V762-T1085 HydrophobicContact CG2-CG2 3.74Å; F898-T1085 HydrophobicContact CB-CG2 4.27Å; F898-T1085 PolarHBondContact O-N 3.26Å; F898-T1085 PolarHBondContact O-OG1 3.01Å; Q899-T1085 VanDerWaalsContact CA-OG1 3.28Å; Q899-T1085 WeakPolarHBondContact CA-OG1 3.33Å; Q899-T1085 WeakPolarHBondContact CG-OG1 3.29Å; Q899-T1085 PolarHBondContact N-OG1 2.95Å; T1085-C1087 VanDerWaalsContact C-N 3.29Å; T1085-C1087 PolarHBondContact O-N 3.35Å; T1085-C1088 WeakPolarHBondContact O-CA 3.23Å; T1085-C1088 WeakPolarHBondContact O-CB 3.44Å; T1085-C1088 PolarHBondContact O-N 3.27Å; T1085-E1089 PolarHBondContact O-N 3.13Å
1086	A	85.7	Confident	87.9	Confident	14 Å²	14	26.1 Å²	26.1	12%	0.116	13%	0.13	C	C	.	.	H	α-helix	trans	-57.1	-34.1	-176.1	0	0	0	0	0	114.3	Q899 E901 S1084 K1090	Q899-A1086 WeakPolarHBondContact O-CB 3.48Å; E901-A1086 HydrophobicContact CG-CB 4.38Å; S1084-A1086 PolarHBondContact OG-N 2.92Å; A1086-K1090 WeakPolarHBondContact O-CG 3.4Å; A1086-K1090 PolarHBondContact O-N 3.34Å
1087	C	87	Confident	87.9	Confident	19 Å²	19	28 Å²	28	13%	0.128	14%	0.136	C	C	.	.	H	α-helix	trans	-71.4	-34.9	174.1	-174.6	0	0	0	0	112.2	T689 T1085 K1090 G1091	T689-C1087 HydrophobicContact CG2-CB 3.79Å; T689-C1087 PolarHBondContact O-SG 2.77Å; T1085-C1087 VanDerWaalsContact C-N 3.29Å; T1085-C1087 PolarHBondContact O-N 3.35Å; C1087-K1090 WeakPolarHBondContact O-CB 3.33Å; C1087-K1090 PolarHBondContact O-N 3.23Å; C1087-G1091 PolarHBondContact O-N 3.44Å
1088	C	89.3	Confident	87.9	Confident	1 Å²	1	27.6 Å²	27.6	1%	0.007	13%	0.133	C	C	.	.	H	α-helix	trans	-75.4	-33.1	179.7	-50	0	0	0	0	111.7	I661 Y677 V762 T1085 G1091 R1092	I661-C1088 VanDerWaalsContact CG2-SG 3.59Å; Y677-C1088 HydrophobicContact CE2-CB 4.05Å; V762-C1088 HydrophobicContact CG1-CB 3.69Å; V762-C1088 HydrophobicContact CG2-CB 3.99Å; T1085-C1088 WeakPolarHBondContact O-CA 3.23Å; T1085-C1088 WeakPolarHBondContact O-CB 3.44Å; T1085-C1088 PolarHBondContact O-N 3.27Å; C1088-G1091 PolarHBondContact O-N 3.27Å; C1088-R1092 PolarHBondContact O-N 2.67Å
1089	E	86.8	Confident	87.6	Confident	38 Å²	38	30 Å²	30	18%	0.178	14%	0.141	C	C	.	.	H	α-helix	trans	-56.8	-51	163.8	-79.6	-63.4	162.7	0	0	111.4	Q899 T1085 G1091 R1092 N1093	Q899-E1089 HydrophobicContact CB-CG 4.35Å; Q899-E1089 VanDerWaalsContact CD-OE1 3.29Å; Q899-E1089 HydrophobicContact CG-CG 3.89Å; Q899-E1089 PolarHBondContact NE2-OE1 3.23Å; T1085-E1089 PolarHBondContact O-N 3.13Å; E1089-G1091 VanDerWaalsContact C-N 3.29Å; E1089-G1091 PolarHBondContact O-N 2.72Å; E1089-R1092 PolarHBondContact O-N 2.95Å; E1089-R1092 IonicContact OE1-CZ 2.75Å; E1089-R1092 IonicContact OE1-NH1 3.56Å; E1089-R1092 PolarHBondContact OE1-NH1 3.3Å; E1089-R1092 IonicContact OE1-NH2 3.85Å; E1089-R1092 PolarHBondContact OE1-NH2 3.21Å; E1089-R1092 IonicContact OE2-CZ 2.67Å; E1089-R1092 IonicContact OE2-NH1 3.12Å; E1089-R1092 PolarHBondContact OE2-NH1 2.91Å; E1089-R1092 IonicContact OE2-NH2 3.01Å; E1089-R1092 PolarHBondContact OE2-NH2 3.35Å; E1089-N1093 WeakPolarHBondContact O-CB 3.2Å; E1089-N1093 PolarHBondContact O-N 2.96Å; E1089-N1093 PolarHBondContact O-ND2 3.26Å; E1089-N1093 PolarHBondContact OE2-ND2 3.48Å
1090	K	87.7	Confident	87.3	Confident	122 Å²	122	37.2 Å²	37.2	53%	0.53	17%	0.173	S	C	.	.	H	α-helix	trans	-56.9	-43.5	177.1	-70.3	170.6	-174.5	176.8	0	111.2	E901 A1086 C1087 N1093 A1094	E901-K1090 IonicContact OE1-NZ 3.93Å; A1086-K1090 WeakPolarHBondContact O-CG 3.4Å; A1086-K1090 PolarHBondContact O-N 3.34Å; C1087-K1090 WeakPolarHBondContact O-CB 3.33Å; C1087-K1090 PolarHBondContact O-N 3.23Å; K1090-N1093 PolarHBondContact O-N 3.24Å; K1090-A1094 WeakPolarHBondContact O-CB 3.22Å; K1090-A1094 PolarHBondContact O-N 3.09Å
1091	G	90.3	Very high	86.9	Confident	2 Å²	2	40.1 Å²	40.1	2%	0.021	19%	0.188	C	C	.	.	H	α-helix	trans	-63.3	-44.8	176.5	0	0	0	0	0	114.9	C1087 C1088 E1089 A1094 L1095	C1087-G1091 PolarHBondContact O-N 3.44Å; C1088-G1091 PolarHBondContact O-N 3.27Å; E1089-G1091 VanDerWaalsContact C-N 3.29Å; E1089-G1091 PolarHBondContact O-N 2.72Å; G1091-A1094 PolarHBondContact O-N 3.17Å; G1091-L1095 WeakPolarHBondContact O-CB 3.09Å; G1091-L1095 PolarHBondContact O-N 3.25Å
1092	R	86.6	Confident	86.3	Confident	26 Å²	26	40.7 Å²	40.7	10%	0.098	19%	0.191	C	C	.	.	H	α-helix	trans	-64.8	-43.9	174.2	-86.9	-170.3	-73.9	99.8	-6.2	112.8	D663 V762 C1088 E1089 A1094 L1095 Q1096	D663-R1092 WeakPolarHBondContact OD2-CG 3.26Å; D663-R1092 IonicContact OD2-NE 3.99Å; V762-R1092 PolarHBondContact O-NH2 3.36Å; C1088-R1092 PolarHBondContact O-N 2.67Å; E1089-R1092 PolarHBondContact O-N 2.95Å; E1089-R1092 IonicContact OE1-CZ 2.75Å; E1089-R1092 IonicContact OE1-NH1 3.56Å; E1089-R1092 PolarHBondContact OE1-NH1 3.3Å; E1089-R1092 IonicContact OE1-NH2 3.85Å; E1089-R1092 PolarHBondContact OE1-NH2 3.21Å; E1089-R1092 IonicContact OE2-CZ 2.67Å; E1089-R1092 IonicContact OE2-NH1 3.12Å; E1089-R1092 PolarHBondContact OE2-NH1 2.91Å; E1089-R1092 IonicContact OE2-NH2 3.01Å; E1089-R1092 PolarHBondContact OE2-NH2 3.35Å; R1092-A1094 VanDerWaalsContact C-N 3.27Å; R1092-A1094 PolarHBondContact O-N 2.9Å; R1092-L1095 PolarHBondContact O-N 3.12Å; R1092-Q1096 WeakPolarHBondContact O-CB 3.34Å; R1092-Q1096 WeakPolarHBondContact O-CG 3.23Å; R1092-Q1096 PolarHBondContact O-N 3.19Å
1093	N	87	Confident	85.1	Confident	79 Å²	79	52.8 Å²	52.8	42%	0.422	24%	0.236	S	C	.	.	H	α-helix	trans	-65.4	-32.4	178.1	-73.3	-67	0	0	0	111.6	E1089 K1090 R1097	E1089-N1093 WeakPolarHBondContact O-CB 3.2Å; E1089-N1093 PolarHBondContact O-N 2.96Å; E1089-N1093 PolarHBondContact O-ND2 3.26Å; E1089-N1093 PolarHBondContact OE2-ND2 3.48Å; K1090-N1093 PolarHBondContact O-N 3.24Å; N1093-R1097 VanDerWaalsContact O-CB 3.22Å; N1093-R1097 WeakPolarHBondContact O-CB 3.34Å; N1093-R1097 PolarHBondContact O-N 3.28Å; N1093-R1097 VanDerWaalsContact O-N 3.12Å; N1093-R1097 PolarHBondContact O-NH1 2.91Å
1094	A	90.1	Very high	84	Confident	1 Å²	1	55.5 Å²	55.5	1%	0.008	26%	0.256	C	S	.	.	H	α-helix	trans	-67.3	-47	168.5	0	0	0	0	0	112.4	K1090 G1091 R1092 Q1096 R1097 V1098 L1115 A1118 V1119	K1090-A1094 WeakPolarHBondContact O-CB 3.22Å; K1090-A1094 PolarHBondContact O-N 3.09Å; G1091-A1094 PolarHBondContact O-N 3.17Å; R1092-A1094 VanDerWaalsContact C-N 3.27Å; R1092-A1094 PolarHBondContact O-N 2.9Å; A1094-Q1096 PolarHBondContact O-N 3.33Å; A1094-R1097 PolarHBondContact O-N 3.05Å; A1094-V1098 WeakPolarHBondContact O-CG2 3.42Å; A1094-V1098 PolarHBondContact O-N 3.45Å; A1094-L1115 HydrophobicContact CB-CD2 3.8Å; A1094-A1118 HydrophobicContact CB-CB 3.82Å; A1094-V1119 HydrophobicContact CB-CG2 4.19Å
1095	L	88.2	Confident	83.3	Confident	8 Å²	8	65.3 Å²	65.3	4%	0.042	29%	0.29	C	S	.	.	H	α-helix	trans	-60.4	-44.9	179.2	179.4	55.6	0	0	0	112.1	L694 G1091 R1092 V1098 R1099 L1111 L1115	L694-L1095 HydrophobicContact CD2-CD1 4.36Å; G1091-L1095 WeakPolarHBondContact O-CB 3.09Å; G1091-L1095 PolarHBondContact O-N 3.25Å; R1092-L1095 PolarHBondContact O-N 3.12Å; L1095-V1098 PolarHBondContact O-N 2.88Å; L1095-R1099 HydrophobicContact CD1-CG 4.15Å; L1095-R1099 WeakPolarHBondContact O-CB 3.46Å; L1095-R1099 WeakPolarHBondContact O-CG 3.4Å; L1095-R1099 PolarHBondContact O-N 2.98Å; L1095-L1111 HydrophobicContact CD1-CD2 4.34Å; L1095-L1115 HydrophobicContact CB-CD2 4.04Å; L1095-L1115 HydrophobicContact CD1-CD1 4.26Å
1096	Q	84.6	Confident	83.1	Confident	115 Å²	115	66.5 Å²	66.5	54%	0.537	30%	0.296	S	S	.	.	H	α-helix	trans	-64.2	-41.8	175.7	-71.1	179.7	0	0	0	111.8	R1092 A1094 R1099 K1100	R1092-Q1096 WeakPolarHBondContact O-CB 3.34Å; R1092-Q1096 WeakPolarHBondContact O-CG 3.23Å; R1092-Q1096 PolarHBondContact O-N 3.19Å; A1094-Q1096 PolarHBondContact O-N 3.33Å; Q1096-R1099 PolarHBondContact O-N 3.04Å; Q1096-K1100 WeakPolarHBondContact O-CB 3.47Å; Q1096-K1100 PolarHBondContact O-N 3.45Å
1097	R	87	Confident	83.2	Confident	82 Å²	82	68.4 Å²	68.4	31%	0.309	31%	0.307	S	S	.	.	H	α-helix	trans	-61.1	-48.1	176.1	-175	167.2	74.5	-107.6	10.3	111.7	L601 E602 N1093 A1094 K1100 N1101	L601-R1097 PolarHBondContact O-NH2 2.96Å; E602-R1097 VanDerWaalsContact O-CD 3.23Å; E602-R1097 WeakPolarHBondContact O-CD 3.37Å; E602-R1097 PolarHBondContact O-NE 3.37Å; N1093-R1097 VanDerWaalsContact O-CB 3.22Å; N1093-R1097 WeakPolarHBondContact O-CB 3.34Å; N1093-R1097 PolarHBondContact O-N 3.28Å; N1093-R1097 VanDerWaalsContact O-N 3.12Å; N1093-R1097 PolarHBondContact O-NH1 2.91Å; A1094-R1097 PolarHBondContact O-N 3.05Å; R1097-K1100 PolarHBondContact O-N 2.85Å; R1097-N1101 WeakPolarHBondContact O-CB 3.46Å; R1097-N1101 PolarHBondContact O-N 3.48Å; R1097-N1101 PolarHBondContact O-ND2 3.11Å
1098	V	87.6	Confident	83.2	Confident	1 Å²	1	70.1 Å²	70.1	1%	0.006	31%	0.314	C	S	.	.	H	α-helix	trans	-62.2	-49.8	176.8	171.6	0	0	0	0	111.2	A1094 L1095 K1100 N1101 H1102 L1106 L1111 L1114	A1094-V1098 WeakPolarHBondContact O-CG2 3.42Å; A1094-V1098 PolarHBondContact O-N 3.45Å; L1095-V1098 PolarHBondContact O-N 2.88Å; V1098-K1100 VanDerWaalsContact C-N 3.33Å; V1098-K1100 PolarHBondContact O-N 3.34Å; V1098-N1101 PolarHBondContact O-N 3.5Å; V1098-H1102 WeakPolarHBondContact O-CB 3.5Å; V1098-H1102 PolarHBondContact O-CD2 3.11Å; V1098-H1102 VanDerWaalsContact O-CD2 3.27Å; V1098-H1102 PolarHBondContact O-N 2.98Å; V1098-L1106 HydrophobicContact CG1-CD1 3.68Å; V1098-L1111 HydrophobicContact CG1-CD2 3.79Å; V1098-L1114 HydrophobicContact CG1-CD1 3.72Å; V1098-L1114 HydrophobicContact CG2-CB 4.34Å
1099	R	82.2	Confident	83.2	Confident	61 Å²	61	74.5 Å²	74.5	23%	0.23	34%	0.335	C	S	.	.	H	α-helix	trans	-60.6	-37.7	177.6	-74.7	-174.4	-176.1	168.9	8.7	112.8	D667 T673 L1095 Q1096	D667-R1099 IonicContact OD2-CZ 2.69Å; D667-R1099 IonicContact OD2-NE 2.69Å; D667-R1099 IonicContact OD2-NH1 2.74Å; D667-R1099 PolarHBondContact OD2-NH1 3.38Å; T673-R1099 PolarHBondContact OG1-NH2 2.88Å; L1095-R1099 HydrophobicContact CD1-CG 4.15Å; L1095-R1099 WeakPolarHBondContact O-CB 3.46Å; L1095-R1099 WeakPolarHBondContact O-CG 3.4Å; L1095-R1099 PolarHBondContact O-N 2.98Å; Q1096-R1099 PolarHBondContact O-N 3.04Å
1100	K	79.8	Confident	83.4	Confident	183 Å²	183	73.9 Å²	73.9	80%	0.796	33%	0.332	S	S	*	.	H	α-helix	trans	-72.2	-36.6	179.4	-176	174.4	-179.3	175.9	0	113	Q1096 R1097 V1098	Q1096-K1100 WeakPolarHBondContact O-CB 3.47Å; Q1096-K1100 PolarHBondContact O-N 3.45Å; R1097-K1100 PolarHBondContact O-N 2.85Å; V1098-K1100 VanDerWaalsContact C-N 3.33Å; V1098-K1100 PolarHBondContact O-N 3.34Å
1101	N	82	Confident	83.6	Confident	60 Å²	60	68.9 Å²	68.9	32%	0.321	31%	0.311	S	S	.	.	H	α-helix	trans	-82.5	-41.9	-176.5	-69.2	-12.9	0	0	0	112.2	G603 P605 R1097 V1098 R1103	G603-N1101 WeakPolarHBondContact O-CB 3.14Å; G603-N1101 PolarHBondContact O-ND2 2.93Å; P605-N1101 HydrophobicContact CG-CB 4.19Å; P605-N1101 WeakPolarHBondContact CG-O 3.47Å; R1097-N1101 WeakPolarHBondContact O-CB 3.46Å; R1097-N1101 PolarHBondContact O-N 3.48Å; R1097-N1101 PolarHBondContact O-ND2 3.11Å; V1098-N1101 PolarHBondContact O-N 3.5Å; N1101-R1103 PolarHBondContact O-N 3.14Å
1102	H	78.4	Confident	83.7	Confident	13 Å²	13	69.3 Å²	69.3	6%	0.06	31%	0.314	C	S	.	.			trans	-79.4	100.4	-177.6	-72.8	-113.3	0	0	0	112	R604 V1098 S1104 L1106	R604-H1102 PolarHBondContact O-NE2 2.76Å; V1098-H1102 WeakPolarHBondContact O-CB 3.5Å; V1098-H1102 PolarHBondContact O-CD2 3.11Å; V1098-H1102 VanDerWaalsContact O-CD2 3.27Å; V1098-H1102 PolarHBondContact O-N 2.98Å; H1102-S1104 PolarHBondContact O-N 2.74Å; H1102-L1106 HydrophobicContact CB-CD1 3.99Å; H1102-L1106 HydrophobicContact CB-CG 4.2Å
1103	R	63.9	Low	84.1	Confident	253 Å²	253	68.4 Å²	68.4	96%	0.955	31%	0.311	S	S	*	.			trans	-68.6	-16.7	173.7	-60.8	-176.5	-177.8	-176.8	0.8	114	N1101	N1101-R1103 PolarHBondContact O-N 3.14Å
1104	S	65.6	Low	84.5	Confident	69 Å²	69	64.7 Å²	64.7	48%	0.483	29%	0.291	S	S	.	.	S	Bend	trans	-90	134.5	174.9	55.2	0	0	0	0	110.6	H1102 L1106	H1102-S1104 PolarHBondContact O-N 2.74Å; S1104-L1106 PolarHBondContact O-N 2.96Å
1105	R	72.1	Confident	84.7	Confident	225 Å²	225	64.8 Å²	64.8	85%	0.849	29%	0.291	S	S	*	.			trans	-63.2	106	175.3	-172.6	-179.8	-173.9	-173.4	2.1	110.7
1106	L	83.6	Confident	85	Confident	24 Å²	24	64.4 Å²	64.4	13%	0.126	29%	0.289	C	S	.	.			trans	-72.2	154.2	174.5	-66.4	175.5	0	0	0	111.7	Y606 V1098 H1102 S1104 Q1110 L1111 L1114	Y606-L1106 HydrophobicContact CD2-CD2 4.4Å; Y606-L1106 HydrophobicContact CE2-CD2 3.5Å; V1098-L1106 HydrophobicContact CG1-CD1 3.68Å; H1102-L1106 HydrophobicContact CB-CD1 3.99Å; H1102-L1106 HydrophobicContact CB-CG 4.2Å; S1104-L1106 PolarHBondContact O-N 2.96Å; L1106-Q1110 HydrophobicContact CB-CB 4.36Å; L1106-Q1110 HydrophobicContact CD2-CB 4.23Å; L1106-L1111 HydrophobicContact CB-CD1 4.44Å; L1106-L1111 HydrophobicContact CB-CD2 4.21Å; L1106-L1111 HydrophobicContact CB-CG 3.87Å; L1106-L1111 HydrophobicContact CD1-CD2 3.63Å; L1106-L1111 HydrophobicContact CD1-CG 4.12Å; L1106-L1114 HydrophobicContact CD1-CD1 3.8Å
1107	T	87.9	Confident	85.6	Confident	54 Å²	54	59 Å²	59	33%	0.331	26%	0.264	S	S	.	.			trans	-78.3	161.4	167	72.5	0	0	0	0	111.2	E1109 Q1110 L1111	T1107-E1109 PolarHBondContact O-N 3.44Å; T1107-Q1110 PolarHBondContact O-N 3.24Å; T1107-Q1110 WeakPolarHBondContact OG1-CG 3.14Å; T1107-Q1110 PolarHBondContact OG1-N 2.99Å; T1107-Q1110 VanDerWaalsContact OG1-N 3.13Å; T1107-L1111 WeakPolarHBondContact O-CG 3.44Å; T1107-L1111 PolarHBondContact O-N 3.25Å
1108	L	87.5	Confident	85.9	Confident	55 Å²	55	55.9 Å²	55.9	29%	0.288	26%	0.256	S	S	.	.	H	α-helix	trans	-57.6	-39.2	173.9	-175.6	71.9	0	0	0	112	T673 L694 E696 L1111 S1112	T673-L1108 HydrophobicContact CG2-CD1 4.39Å; L694-L1108 HydrophobicContact CB-CD1 4.4Å; L694-L1108 HydrophobicContact CD2-CD1 4.02Å; L694-L1108 HydrophobicContact CG-CD1 3.99Å; E696-L1108 HydrophobicContact CB-CD1 4.31Å; E696-L1108 HydrophobicContact CB-CD2 3.79Å; L1108-L1111 PolarHBondContact O-N 2.83Å; L1108-S1112 WeakPolarHBondContact O-CB 3.25Å; L1108-S1112 PolarHBondContact O-N 2.82Å
1109	E	88.4	Confident	86.2	Confident	94 Å²	94	57.1 Å²	57.1	44%	0.439	26%	0.263	S	S	.	.	H	α-helix	trans	-65.6	-46.9	177.9	-172.9	170	-161.4	0	0	111.5	H638 T1107 L1111 S1112 D1113	H638-E1109 IonicContact CE1-OE1 3.69Å; T1107-E1109 PolarHBondContact O-N 3.44Å; E1109-L1111 VanDerWaalsContact C-N 3.34Å; E1109-L1111 PolarHBondContact O-N 3.49Å; E1109-S1112 PolarHBondContact O-N 3.37Å; E1109-S1112 VanDerWaalsContact O-N 3.15Å; E1109-D1113 PolarHBondContact O-N 3.14Å
1110	Q	91.1	Very high	86.8	Confident	25 Å²	25	55.1 Å²	55.1	12%	0.117	26%	0.257	C	S	.	.	H	α-helix	trans	-60.5	-41.2	174.4	-74.1	168.3	-18.1	0	0	112.3	L1106 T1107 D1113 L1114	L1106-Q1110 HydrophobicContact CB-CB 4.36Å; L1106-Q1110 HydrophobicContact CD2-CB 4.23Å; T1107-Q1110 PolarHBondContact O-N 3.24Å; T1107-Q1110 WeakPolarHBondContact OG1-CG 3.14Å; T1107-Q1110 PolarHBondContact OG1-N 2.99Å; T1107-Q1110 VanDerWaalsContact OG1-N 3.13Å; Q1110-D1113 PolarHBondContact O-N 3.37Å; Q1110-L1114 WeakPolarHBondContact O-CB 3.4Å; Q1110-L1114 VanDerWaalsContact O-CG 3.31Å; Q1110-L1114 WeakPolarHBondContact O-CG 3.42Å; Q1110-L1114 PolarHBondContact O-N 3Å
1111	L	91.2	Very high	87.4	Confident	16 Å²	16	47.2 Å²	47.2	8%	0.084	23%	0.228	C	C	.	.	H	α-helix	trans	-62.9	-43.5	173.8	-76.5	167.6	0	0	0	111.5	L694 L1095 V1098 L1106 T1107 L1108 E1109 L1115	L694-L1111 HydrophobicContact CD2-CB 4.06Å; L1095-L1111 HydrophobicContact CD1-CD2 4.34Å; V1098-L1111 HydrophobicContact CG1-CD2 3.79Å; L1106-L1111 HydrophobicContact CB-CD1 4.44Å; L1106-L1111 HydrophobicContact CB-CD2 4.21Å; L1106-L1111 HydrophobicContact CB-CG 3.87Å; L1106-L1111 HydrophobicContact CD1-CD2 3.63Å; L1106-L1111 HydrophobicContact CD1-CG 4.12Å; T1107-L1111 WeakPolarHBondContact O-CG 3.44Å; T1107-L1111 PolarHBondContact O-N 3.25Å; L1108-L1111 PolarHBondContact O-N 2.83Å; E1109-L1111 VanDerWaalsContact C-N 3.34Å; E1109-L1111 PolarHBondContact O-N 3.49Å; L1111-L1115 WeakPolarHBondContact O-CB 3.21Å; L1111-L1115 VanDerWaalsContact O-CG 3.28Å; L1111-L1115 WeakPolarHBondContact O-CG 3.34Å; L1111-L1115 PolarHBondContact O-N 2.86Å
1112	S	92.7	Very high	87.9	Confident	12 Å²	12	46.4 Å²	46.4	8%	0.084	23%	0.225	C	C	.	.	H	α-helix	trans	-68.3	-35.3	178.3	-163.7	0	0	0	0	112.3	L694 L1108 E1109 L1115 T1116	L694-S1112 PolarHBondContact N-OG 3.34Å; L1108-S1112 WeakPolarHBondContact O-CB 3.25Å; L1108-S1112 PolarHBondContact O-N 2.82Å; E1109-S1112 PolarHBondContact O-N 3.37Å; E1109-S1112 VanDerWaalsContact O-N 3.15Å; S1112-L1115 PolarHBondContact O-N 2.98Å; S1112-T1116 PolarHBondContact O-N 2.94Å; S1112-T1116 PolarHBondContact O-OG1 3.07Å
1113	D	95	Very high	88.5	Confident	7 Å²	7	49.7 Å²	49.7	4%	0.037	25%	0.248	C	C	.	.	H	α-helix	trans	-67	-47	175.1	-78.1	-21.4	0	0	0	112	I637 H638 A641 R645 E1109 Q1110 L1115 T1116 I1117	I637-D1113 HydrophobicContact CG2-CB 4.17Å; H638-D1113 IonicContact CE1-OD2 3.52Å; H638-D1113 IonicContact CG-OD2 3.26Å; H638-D1113 IonicContact ND1-OD1 3.25Å; H638-D1113 IonicContact ND1-OD2 3.9Å; H638-D1113 PolarHBondContact ND1-OD2 3.06Å; A641-D1113 HydrophobicContact CB-CB 3.7Å; A641-D1113 WeakPolarHBondContact CB-O 3.45Å; A641-D1113 WeakPolarHBondContact CB-OD1 3.45Å; R645-D1113 IonicContact CZ-OD1 2.74Å; R645-D1113 IonicContact NH1-OD1 3.68Å; R645-D1113 PolarHBondContact NH1-OD1 2.88Å; R645-D1113 IonicContact NH2-OD1 2.9Å; R645-D1113 PolarHBondContact NH2-OD1 3.17Å; E1109-D1113 PolarHBondContact O-N 3.14Å; Q1110-D1113 PolarHBondContact O-N 3.37Å; D1113-L1115 VanDerWaalsContact C-N 3.31Å; D1113-L1115 PolarHBondContact O-N 3.41Å; D1113-T1116 PolarHBondContact O-N 3.11Å; D1113-I1117 PolarHBondContact O-N 3.24Å
1114	L	94.8	Very high	89.7	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-60.7	-39.9	174.2	-71.6	172.2	0	0	0	111.6	A600 Y606 I637 V1098 L1106 Q1110 I1117 A1118	A600-L1114 HydrophobicContact CB-CD2 3.64Å; Y606-L1114 HydrophobicContact CE1-CD1 4.43Å; Y606-L1114 HydrophobicContact CE1-CD2 4.15Å; I637-L1114 HydrophobicContact CD1-CD2 4.18Å; I637-L1114 HydrophobicContact CG2-CD2 4.15Å; V1098-L1114 HydrophobicContact CG1-CD1 3.72Å; V1098-L1114 HydrophobicContact CG2-CB 4.34Å; L1106-L1114 HydrophobicContact CD1-CD1 3.8Å; Q1110-L1114 WeakPolarHBondContact O-CB 3.4Å; Q1110-L1114 VanDerWaalsContact O-CG 3.31Å; Q1110-L1114 WeakPolarHBondContact O-CG 3.42Å; Q1110-L1114 PolarHBondContact O-N 3Å; L1114-I1117 PolarHBondContact O-N 3.37Å; L1114-A1118 VanDerWaalsContact O-CB 3.24Å; L1114-A1118 WeakPolarHBondContact O-CB 3.37Å; L1114-A1118 PolarHBondContact O-N 3.22Å
1115	L	94.3	Very high	90.9	Very high	4 Å²	4	43.8 Å²	43.8	2%	0.021	23%	0.233	C	C	.	.	H	α-helix	trans	-68.7	-39.4	175.5	-76.2	177.2	0	0	0	113.3	F691 L694 A1094 L1095 L1111 S1112 D1113 I1117 A1118 V1119	F691-L1115 HydrophobicContact CD1-CB 4.11Å; F691-L1115 HydrophobicContact CE1-CB 3.49Å; F691-L1115 VanDerWaalsContact CE1-CB 3.49Å; F691-L1115 HydrophobicContact CE2-CB 4.22Å; F691-L1115 HydrophobicContact CE2-CD1 3.95Å; F691-L1115 HydrophobicContact CZ-CB 3.53Å; F691-L1115 HydrophobicContact CZ-CD1 3.7Å; F691-L1115 HydrophobicContact CZ-CG 4.29Å; L694-L1115 HydrophobicContact CB-CD1 4.21Å; L694-L1115 HydrophobicContact CD1-CD1 4.43Å; L694-L1115 HydrophobicContact CD2-CD1 4.08Å; L694-L1115 HydrophobicContact CG-CD1 4.49Å; A1094-L1115 HydrophobicContact CB-CD2 3.8Å; L1095-L1115 HydrophobicContact CB-CD2 4.04Å; L1095-L1115 HydrophobicContact CD1-CD1 4.26Å; L1111-L1115 WeakPolarHBondContact O-CB 3.21Å; L1111-L1115 VanDerWaalsContact O-CG 3.28Å; L1111-L1115 WeakPolarHBondContact O-CG 3.34Å; L1111-L1115 PolarHBondContact O-N 2.86Å; S1112-L1115 PolarHBondContact O-N 2.98Å; D1113-L1115 VanDerWaalsContact C-N 3.31Å; D1113-L1115 PolarHBondContact O-N 3.41Å; L1115-I1117 PolarHBondContact O-N 3.01Å; L1115-A1118 PolarHBondContact O-N 2.76Å; L1115-V1119 HydrophobicContact CD2-CG2 4.43Å; L1115-V1119 WeakPolarHBondContact O-CB 3.3Å; L1115-V1119 VanDerWaalsContact O-CG2 3.32Å; L1115-V1119 WeakPolarHBondContact O-CG2 3.32Å; L1115-V1119 PolarHBondContact O-N 3.03Å
1116	T	95.5	Very high	91.8	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-55.5	-44	173.4	-64.3	0	0	0	0	110.5	A641 L644 R645 S1112 D1113 N1120	A641-T1116 HydrophobicContact CB-CG2 4.23Å; L644-T1116 HydrophobicContact CB-CG2 3.75Å; L644-T1116 HydrophobicContact CD1-CG2 4.25Å; R645-T1116 HydrophobicContact CG-CG2 4.1Å; R645-T1116 PolarHBondContact NH1-OG1 3.5Å; S1112-T1116 PolarHBondContact O-N 2.94Å; S1112-T1116 PolarHBondContact O-OG1 3.07Å; D1113-T1116 PolarHBondContact O-N 3.11Å; T1116-N1120 WeakPolarHBondContact O-CB 3.18Å; T1116-N1120 PolarHBondContact O-N 3.26Å
1117	I	96.1	Very high	92.3	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-70.2	-48.4	176.9	-67.6	171.4	0	0	0	111.7	Y597 A600 L601 I637 I640 A641 L644 D1113 L1114 L1115 V1119 G1121	Y597-I1117 HydrophobicContact CD2-CG1 4.44Å; Y597-I1117 HydrophobicContact CD2-CG2 3.63Å; Y597-I1117 HydrophobicContact CE2-CB 4.47Å; Y597-I1117 HydrophobicContact CE2-CG2 3.5Å; A600-I1117 HydrophobicContact CB-CB 4.03Å; A600-I1117 HydrophobicContact CB-CD1 3.7Å; A600-I1117 HydrophobicContact CB-CG1 4.48Å; A600-I1117 HydrophobicContact CB-CG2 3.64Å; L601-I1117 HydrophobicContact CB-CG2 4.25Å; I637-I1117 HydrophobicContact CB-CD1 4.44Å; I637-I1117 HydrophobicContact CG1-CD1 4.39Å; I637-I1117 HydrophobicContact CG2-CD1 3.98Å; I640-I1117 HydrophobicContact CB-CD1 3.96Å; I640-I1117 HydrophobicContact CG2-CD1 3.93Å; I640-I1117 HydrophobicContact CG2-CG1 4.06Å; A641-I1117 HydrophobicContact CB-CD1 4.44Å; A641-I1117 HydrophobicContact CB-CG1 4.31Å; L644-I1117 HydrophobicContact CD1-CG1 4.02Å; D1113-I1117 PolarHBondContact O-N 3.24Å; L1114-I1117 PolarHBondContact O-N 3.37Å; L1115-I1117 PolarHBondContact O-N 3.01Å; I1117-V1119 PolarHBondContact O-N 3.02Å; I1117-G1121 VanDerWaalsContact O-CA 3.25Å; I1117-G1121 WeakPolarHBondContact O-CA 3.25Å; I1117-G1121 PolarHBondContact O-N 3.35Å
1118	A	94.3	Very high	92.4	Very high	17 Å²	17	41.4 Å²	41.4	14%	0.14	23%	0.234	C	C	.	.	H	α-helix	trans	-72.4	-11.2	-174.1	0	0	0	0	0	114.9	A1094 L1114 L1115	A1094-A1118 HydrophobicContact CB-CB 3.82Å; L1114-A1118 VanDerWaalsContact O-CB 3.24Å; L1114-A1118 WeakPolarHBondContact O-CB 3.37Å; L1114-A1118 PolarHBondContact O-N 3.22Å; L1115-A1118 PolarHBondContact O-N 2.76Å
1119	V	93.7	Very high	92.5	Very high	27 Å²	27	38.8 Å²	38.8	16%	0.164	22%	0.221	C	C	.	.	H	α-helix	trans	-116.6	-45	-179.8	-174.6	0	0	0	0	113	F691 A1094 L1115 I1117	F691-V1119 HydrophobicContact CB-CB 4.02Å; F691-V1119 HydrophobicContact CB-CG1 3.82Å; A1094-V1119 HydrophobicContact CB-CG2 4.19Å; L1115-V1119 HydrophobicContact CD2-CG2 4.43Å; L1115-V1119 WeakPolarHBondContact O-CB 3.3Å; L1115-V1119 VanDerWaalsContact O-CG2 3.32Å; L1115-V1119 WeakPolarHBondContact O-CG2 3.32Å; L1115-V1119 PolarHBondContact O-N 3.03Å; I1117-V1119 PolarHBondContact O-N 3.02Å
1120	N	94.8	Very high	92.3	Very high	20 Å²	20	40.2 Å²	40.2	11%	0.107	23%	0.226	C	C	.	.	H	α-helix	trans	-98.5	-8.6	-178	-54.1	-4.9	0	0	0	112.8	F691 T1116	F691-N1120 WeakPolarHBondContact CB-OD1 3.25Å; F691-N1120 PolarHBondContact N-OD1 3.24Å; F691-N1120 PolarHBondContact O-ND2 3.46Å; T1116-N1120 WeakPolarHBondContact O-CB 3.18Å; T1116-N1120 PolarHBondContact O-N 3.26Å
1121	G	92.6	Very high	92	Very high	17 Å²	17	44.2 Å²	44.2	18%	0.175	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-66.1	133.3	-178.6	0	0	0	0	0	112.3	Y597 I1117	Y597-G1121 WeakPolarHBondContact OH-CA 3.42Å; I1117-G1121 VanDerWaalsContact O-CA 3.25Å; I1117-G1121 WeakPolarHBondContact O-CA 3.25Å; I1117-G1121 PolarHBondContact O-N 3.35Å
1122	P	92.9	Very high	91.8	Very high	42 Å²	42	43.6 Å²	43.6	27%	0.273	24%	0.237	S	C	.	.	P	Polyproline II helix	trans	-66.1	164.3	171.7	29.9	-36.9	0	0	0	112	Y597 N1126 F1127	Y597-P1122 VanDerWaalsContact OH-CD 3.23Å; Y597-P1122 WeakPolarHBondContact OH-CD 3.4Å; Y597-P1122 VanDerWaalsContact OH-N 3.1Å; Y597-P1122 PolarHBondContact OH-O 3.43Å; P1122-N1126 HydrophobicContact CB-CB 4.18Å; P1122-F1127 HydrophobicContact CG-CB 4.3Å; P1122-F1127 HydrophobicContact CG-CD2 4.49Å
1123	P	91	Very high	91.3	Very high	82 Å²	82	43.4 Å²	43.4	53%	0.532	24%	0.235	S	C	.	.	P	Polyproline II helix	trans	-50.5	146.1	167.8	-25.9	35.1	0	0	0	111.6	T1125 N1126 F1127	P1123-T1125 PolarHBondContact O-N 3.07Å; P1123-N1126 WeakPolarHBondContact O-CA 3.34Å; P1123-N1126 PolarHBondContact O-N 3.47Å; P1123-F1127 PolarHBondContact O-N 3Å
1124	I	88.6	Confident	90.6	Very high	81 Å²	81	47 Å²	47	42%	0.415	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-53.9	-29	-175.9	-174.8	61.9	0	0	0	113.7	Y597 H598 N1126	Y597-I1124 HydrophobicContact CD1-CD1 3.7Å; Y597-I1124 HydrophobicContact CE1-CD1 4.19Å; H598-I1124 HydrophobicContact CB-CD1 4.21Å; I1124-N1126 PolarHBondContact O-N 3.02Å
1125	T	90.2	Very high	89.9	Confident	117 Å²	117	48 Å²	48	72%	0.718	26%	0.261	S	S	*	.	G	3₁₀ helix	trans	-66.7	-22.3	175	52.5	0	0	0	0	114.1	P1123	P1123-T1125 PolarHBondContact O-N 3.07Å
1126	N	91.6	Very high	89.3	Confident	115 Å²	115	48.2 Å²	48.2	62%	0.615	26%	0.262	S	S	*	.	G	3₁₀ helix	trans	-116.1	6	-171	-60.3	19.4	0	0	0	111.8	P1122 P1123 I1124	P1122-N1126 HydrophobicContact CB-CB 4.18Å; P1123-N1126 WeakPolarHBondContact O-CA 3.34Å; P1123-N1126 PolarHBondContact O-N 3.47Å; I1124-N1126 PolarHBondContact O-N 3.02Å
1127	F	93.9	Very high	88.3	Confident	26 Å²	26	50.6 Å²	50.6	11%	0.114	27%	0.272	C	S	.	.			trans	-82.8	122.8	179.2	173.7	-108.5	0	0	0	111.3	N594 Y597 I640 P1122 P1123 A1129	N594-F1127 WeakPolarHBondContact OD1-CE1 3.38Å; Y597-F1127 HydrophobicContact CD1-CB 3.9Å; Y597-F1127 AromaticContact CD1-CD1 3.57Å; Y597-F1127 HydrophobicContact CD1-CD1 3.57Å; Y597-F1127 AromaticContact CD1-CD2 3.9Å; Y597-F1127 HydrophobicContact CD1-CD2 3.9Å; Y597-F1127 HydrophobicContact CD1-CE1 4.05Å; Y597-F1127 HydrophobicContact CD1-CE2 4.36Å; Y597-F1127 AromaticContact CD1-CG 3.48Å; Y597-F1127 HydrophobicContact CD1-CG 3.48Å; Y597-F1127 VanDerWaalsContact CD1-CG 3.48Å; Y597-F1127 HydrophobicContact CD1-CZ 4.43Å; Y597-F1127 HydrophobicContact CD2-CD1 4.42Å; Y597-F1127 AromaticContact CD2-CD2 3.77Å; Y597-F1127 HydrophobicContact CD2-CD2 3.77Å; Y597-F1127 HydrophobicContact CD2-CE1 4.24Å; Y597-F1127 AromaticContact CD2-CE2 3.59Å; Y597-F1127 HydrophobicContact CD2-CE2 3.59Å; Y597-F1127 HydrophobicContact CD2-CG 4.2Å; Y597-F1127 AromaticContact CD2-CZ 3.84Å; Y597-F1127 HydrophobicContact CD2-CZ 3.84Å; Y597-F1127 HydrophobicContact CE1-CB 3.59Å; Y597-F1127 HydrophobicContact CE1-CD1 4.14Å; Y597-F1127 AromaticContact CE1-CD2 3.79Å; Y597-F1127 HydrophobicContact CE1-CD2 3.79Å; Y597-F1127 AromaticContact CE1-CG 3.55Å; Y597-F1127 HydrophobicContact CE1-CG 3.55Å; Y597-F1127 AromaticContact CE2-CD2 3.61Å; Y597-F1127 HydrophobicContact CE2-CD2 3.61Å; Y597-F1127 AromaticContact CE2-CE2 3.77Å; Y597-F1127 HydrophobicContact CE2-CE2 3.77Å; Y597-F1127 HydrophobicContact CE2-CG 4.21Å; Y597-F1127 HydrophobicContact CE2-CZ 4.46Å; Y597-F1127 AromaticContact CG-CD1 3.74Å; Y597-F1127 HydrophobicContact CG-CD1 3.74Å; Y597-F1127 AromaticContact CG-CD2 3.89Å; Y597-F1127 HydrophobicContact CG-CD2 3.89Å; Y597-F1127 AromaticContact CG-CE1 3.71Å; Y597-F1127 HydrophobicContact CG-CE1 3.71Å; Y597-F1127 AromaticContact CG-CE2 3.88Å; Y597-F1127 HydrophobicContact CG-CE2 3.88Å; Y597-F1127 AromaticContact CG-CG 3.83Å; Y597-F1127 HydrophobicContact CG-CG 3.83Å; Y597-F1127 AromaticContact CG-CZ 3.79Å; Y597-F1127 HydrophobicContact CG-CZ 3.79Å; Y597-F1127 AromaticContact CZ-CD2 3.64Å; Y597-F1127 AromaticContact CZ-CG 3.92Å; I640-F1127 HydrophobicContact CD1-CZ 4.35Å; I640-F1127 HydrophobicContact CG1-CZ 4.14Å; I640-F1127 HydrophobicContact CG2-CE2 3.65Å; I640-F1127 HydrophobicContact CG2-CZ 3.77Å; P1122-F1127 HydrophobicContact CG-CB 4.3Å; P1122-F1127 HydrophobicContact CG-CD2 4.49Å; P1123-F1127 PolarHBondContact O-N 3Å; F1127-A1129 HydrophobicContact CE1-CB 3.88Å; F1127-A1129 HydrophobicContact CZ-CB 4.24Å
1128	D	89.8	Confident	86.9	Confident	112 Å²	112	57.5 Å²	57.5	60%	0.599	30%	0.304	S	S	*	.			trans	-104.3	113.8	169.5	-177.4	10.9	0	0	0	110.6	K1130	D1128-K1130 PolarHBondContact O-N 2.96Å; D1128-K1130 WeakPolarHBondContact OD1-CB 3.42Å; D1128-K1130 PolarHBondContact OD1-N 3.13Å; D1128-K1130 WeakPolarHBondContact OD2-CB 3.49Å
1129	A	89.5	Confident	85.6	Confident	1 Å²	1	59.3 Å²	59.3	1%	0.008	31%	0.31	C	S	.	.			trans	-67.3	-13	175.7	0	0	0	0	0	114	T590 F593 F1127 R1131 A1132 L1133	T590-A1129 HydrophobicContact CG2-CB 4.14Å; F593-A1129 HydrophobicContact CB-CB 3.73Å; F593-A1129 HydrophobicContact CG-CB 4.34Å; F1127-A1129 HydrophobicContact CE1-CB 3.88Å; F1127-A1129 HydrophobicContact CZ-CB 4.24Å; A1129-R1131 PolarHBondContact O-N 2.85Å; A1129-A1132 WeakPolarHBondContact O-CB 3.41Å; A1129-A1132 PolarHBondContact O-N 3Å; A1129-A1132 VanDerWaalsContact O-N 3.13Å; A1129-L1133 WeakPolarHBondContact O-CB 3.25Å; A1129-L1133 PolarHBondContact O-N 3Å
1130	K	84.9	Confident	84.1	Confident	124 Å²	124	62.6 Å²	62.6	54%	0.539	32%	0.322	S	S	.	.	H	α-helix	trans	-56.4	-51.6	-166	-175.4	179.4	175.3	-174.4	0	114.9	D1128 A1132 L1133 D1134	D1128-K1130 PolarHBondContact O-N 2.96Å; D1128-K1130 WeakPolarHBondContact OD1-CB 3.42Å; D1128-K1130 PolarHBondContact OD1-N 3.13Å; D1128-K1130 WeakPolarHBondContact OD2-CB 3.49Å; K1130-A1132 VanDerWaalsContact C-N 3.26Å; K1130-A1132 PolarHBondContact O-N 2.82Å; K1130-L1133 PolarHBondContact O-N 3.25Å; K1130-D1134 WeakPolarHBondContact O-CB 3.18Å; K1130-D1134 PolarHBondContact O-N 3.2Å
1131	R	84.1	Confident	82	Confident	109 Å²	109	63.8 Å²	63.8	41%	0.411	33%	0.331	S	S	.	.	H	α-helix	trans	-60.7	-36.4	179.3	-69.7	-169.9	98.4	156.9	3.9	111.7	A643 D647 E650 A1129 S1135	A643-R1131 HydrophobicContact CB-CB 3.98Å; D647-R1131 WeakPolarHBondContact OD1-CD 3.44Å; D647-R1131 IonicContact OD1-CZ 2.71Å; D647-R1131 VanDerWaalsContact OD1-CZ 3.26Å; D647-R1131 IonicContact OD1-NE 3.55Å; D647-R1131 PolarHBondContact OD1-NE 2.91Å; D647-R1131 IonicContact OD1-NH1 2.89Å; D647-R1131 PolarHBondContact OD1-NH1 3.05Å; E650-R1131 IonicContact OE1-CZ 3.88Å; E650-R1131 IonicContact OE1-NH1 3.29Å; E650-R1131 IonicContact OE1-NH2 3.43Å; E650-R1131 PolarHBondContact OE1-NH2 3.15Å; E650-R1131 IonicContact OE2-CZ 3.42Å; E650-R1131 IonicContact OE2-NH1 3.84Å; E650-R1131 PolarHBondContact OE2-NH1 2.94Å; E650-R1131 IonicContact OE2-NH2 2.78Å; E650-R1131 PolarHBondContact OE2-NH2 3.06Å; A1129-R1131 PolarHBondContact O-N 2.85Å; R1131-S1135 WeakPolarHBondContact O-CB 3.34Å; R1131-S1135 PolarHBondContact O-N 3.35Å
1132	A	87.9	Confident	79.8	Confident	2 Å²	2	64 Å²	64	2%	0.017	33%	0.334	C	S	.	.	H	α-helix	trans	-71	-39.7	177.1	0	0	0	0	0	112.5	F593 H639 I640 A643 A1129 K1130 S1135 W1136	F593-A1132 HydrophobicContact CD1-CB 4Å; F593-A1132 HydrophobicContact CE1-CB 3.72Å; H639-A1132 HydrophobicContact CB-CB 4.47Å; I640-A1132 HydrophobicContact CB-CB 4.31Å; I640-A1132 HydrophobicContact CG1-CB 3.86Å; A643-A1132 HydrophobicContact CB-CB 4.13Å; A1129-A1132 WeakPolarHBondContact O-CB 3.41Å; A1129-A1132 PolarHBondContact O-N 3Å; A1129-A1132 VanDerWaalsContact O-N 3.13Å; K1130-A1132 VanDerWaalsContact C-N 3.26Å; K1130-A1132 PolarHBondContact O-N 2.82Å; A1132-S1135 WeakPolarHBondContact O-CB 3.25Å; A1132-S1135 PolarHBondContact O-N 2.76Å; A1132-W1136 PolarHBondContact O-N 3.28Å
1133	L	82.8	Confident	77.3	Confident	9 Å²	9	67.9 Å²	67.9	5%	0.047	35%	0.353	C	S	.	.	H	α-helix	trans	-66.4	-44.3	176.1	-178.4	64.2	0	0	0	111.6	C586 M589 F593 A1129 K1130 W1136 F1137	C586-L1133 HydrophobicContact CB-CD2 3.98Å; M589-L1133 HydrophobicContact CB-CD1 3.64Å; M589-L1133 HydrophobicContact CG-CD1 4.49Å; F593-L1133 HydrophobicContact CD2-CB 4.41Å; F593-L1133 HydrophobicContact CD2-CD1 3.85Å; F593-L1133 HydrophobicContact CE2-CB 4.2Å; F593-L1133 HydrophobicContact CE2-CD1 3.51Å; F593-L1133 HydrophobicContact CE2-CG 4.48Å; F593-L1133 HydrophobicContact CZ-CD1 4.47Å; A1129-L1133 WeakPolarHBondContact O-CB 3.25Å; A1129-L1133 PolarHBondContact O-N 3Å; K1130-L1133 PolarHBondContact O-N 3.25Å; L1133-W1136 HydrophobicContact CD1-CE3 4.47Å; L1133-W1136 PolarHBondContact O-N 2.84Å; L1133-F1137 HydrophobicContact CD1-CD2 3.96Å; L1133-F1137 HydrophobicContact CD1-CE2 3.54Å; L1133-F1137 HydrophobicContact CD1-CZ 4.42Å; L1133-F1137 HydrophobicContact CD2-CE2 4.27Å; L1133-F1137 HydrophobicContact CG-CD2 3.9Å; L1133-F1137 HydrophobicContact CG-CE2 3.71Å; L1133-F1137 VanDerWaalsContact O-CD2 3.25Å; L1133-F1137 WeakPolarHBondContact O-CD2 3.42Å; L1133-F1137 PolarHBondContact O-N 3.2Å
1134	D	79.2	Confident	74.6	Confident	83 Å²	83	67.1 Å²	67.1	44%	0.444	35%	0.349	S	S	.	.	H	α-helix	trans	-59.7	-47.4	174	-74.8	-31.8	0	0	0	110.5	K1130 W1136 F1137 E1138	K1130-D1134 WeakPolarHBondContact O-CB 3.18Å; K1130-D1134 PolarHBondContact O-N 3.2Å; D1134-W1136 VanDerWaalsContact C-N 3.34Å; D1134-W1136 PolarHBondContact O-N 2.87Å; D1134-F1137 PolarHBondContact O-N 3.2Å; D1134-E1138 PolarHBondContact O-N 3.1Å
1135	S	80.3	Confident	72.1	Confident	20 Å²	20	73.6 Å²	73.6	14%	0.14	37%	0.37	C	S	.	.	H	α-helix	trans	-54.8	-45.1	174.7	-178.4	0	0	0	0	112.8	H639 R1131 A1132 E1138 E1139	H639-S1135 PolarHBondContact ND1-OG 3.21Å; R1131-S1135 WeakPolarHBondContact O-CB 3.34Å; R1131-S1135 PolarHBondContact O-N 3.35Å; A1132-S1135 WeakPolarHBondContact O-CB 3.25Å; A1132-S1135 PolarHBondContact O-N 2.76Å; S1135-E1138 PolarHBondContact O-N 3.08Å; S1135-E1139 PolarHBondContact O-N 2.99Å
1136	W	81.9	Confident	69.6	Low	9 Å²	9	71.3 Å²	71.3	3%	0.034	36%	0.363	C	S	.	.	H	α-helix	trans	-65.1	-42.4	177.1	-179.5	92.6	0	0	0	112.1	M589 F593 Y627 H639 A1132 L1133 D1134 E1138 E1139 K1140	M589-W1136 HydrophobicContact CE-CD2 4.49Å; M589-W1136 HydrophobicContact CE-CH2 3.71Å; M589-W1136 HydrophobicContact CE-CZ2 3.66Å; M589-W1136 HydrophobicContact CE-CZ3 4.14Å; M589-W1136 HydrophobicContact CG-CH2 4.38Å; M589-W1136 HydrophobicContact CG-CZ3 4.35Å; M589-W1136 HydrophobicContact SD-CH2 4.1Å; M589-W1136 HydrophobicContact SD-CZ2 4.5Å; F593-W1136 HydrophobicContact CE2-CB 4.42Å; F593-W1136 HydrophobicContact CE2-CG 4.44Å; F593-W1136 HydrophobicContact CZ-CB 3.82Å; F593-W1136 HydrophobicContact CZ-CG 4.08Å; Y627-W1136 HydrophobicContact CD1-CZ2 4.32Å; Y627-W1136 HydrophobicContact CE1-CH2 4.39Å; Y627-W1136 AromaticContact CE1-CZ2 3.86Å; Y627-W1136 HydrophobicContact CE1-CZ2 3.86Å; Y627-W1136 AromaticContact CE2-CH2 3.9Å; Y627-W1136 HydrophobicContact CE2-CH2 3.9Å; Y627-W1136 HydrophobicContact CE2-CZ2 4.09Å; Y627-W1136 AromaticContact CZ-CH2 3.79Å; Y627-W1136 AromaticContact CZ-CZ2 3.73Å; H639-W1136 AromaticContact CD2-CD1 3.56Å; H639-W1136 AromaticContact NE2-CD1 3.66Å; A1132-W1136 PolarHBondContact O-N 3.28Å; L1133-W1136 HydrophobicContact CD1-CE3 4.47Å; L1133-W1136 PolarHBondContact O-N 2.84Å; D1134-W1136 VanDerWaalsContact C-N 3.34Å; D1134-W1136 PolarHBondContact O-N 2.87Å; W1136-E1138 PolarHBondContact O-N 2.91Å; W1136-E1139 PolarHBondContact O-N 3.39Å; W1136-K1140 HydrophobicContact CD2-CG 3.99Å; W1136-K1140 HydrophobicContact CE3-CG 4.32Å; W1136-K1140 HydrophobicContact CG-CG 4.46Å; W1136-K1140 HydrophobicContact CH2-CG 4.47Å; W1136-K1140 HydrophobicContact CZ2-CG 4.14Å; W1136-K1140 WeakPolarHBondContact O-CG 3.16Å; W1136-K1140 PolarHBondContact O-N 3.45Å
1137	F	73.9	Confident	67	Low	50 Å²	50	70.2 Å²	70.2	22%	0.219	36%	0.356	C	S	.	.	H	α-helix	trans	-65	-34.6	175	-83.3	-63	0	0	0	113.1	M585 C586 L1133 D1134 S1141	M585-F1137 HydrophobicContact CG-CZ 4.24Å; C586-F1137 WeakPolarHBondContact SG-CE2 3.23Å; L1133-F1137 HydrophobicContact CD1-CD2 3.96Å; L1133-F1137 HydrophobicContact CD1-CE2 3.54Å; L1133-F1137 HydrophobicContact CD1-CZ 4.42Å; L1133-F1137 HydrophobicContact CD2-CE2 4.27Å; L1133-F1137 HydrophobicContact CG-CD2 3.9Å; L1133-F1137 HydrophobicContact CG-CE2 3.71Å; L1133-F1137 VanDerWaalsContact O-CD2 3.25Å; L1133-F1137 WeakPolarHBondContact O-CD2 3.42Å; L1133-F1137 PolarHBondContact O-N 3.2Å; D1134-F1137 PolarHBondContact O-N 3.2Å; F1137-S1141 WeakPolarHBondContact O-CB 3.49Å; F1137-S1141 PolarHBondContact O-N 2.91Å; F1137-S1141 PolarHBondContact O-OG 2.75Å
1138	E	67.6	Low	64.7	Low	144 Å²	144	71.2 Å²	71.2	67%	0.673	37%	0.367	S	S	*	.	H	α-helix	trans	-65.7	-39.5	175	-71	-157.1	152.6	0	0	112.5	D1134 S1135 W1136 S1141	D1134-E1138 PolarHBondContact O-N 3.1Å; S1135-E1138 PolarHBondContact O-N 3.08Å; W1136-E1138 PolarHBondContact O-N 2.91Å; E1138-S1141 PolarHBondContact O-OG 3.26Å
1139	E	67.3	Low	62.1	Low	55 Å²	55	69.1 Å²	69.1	26%	0.257	37%	0.365	S	S	.	.	H	α-helix	trans	-67.4	-53.2	172.9	-172.5	173	140.2	0	0	111.3	H639 S1135 W1136 S1141 G1142 S1148	H639-E1139 IonicContact CE1-OE2 3.99Å; S1135-E1139 PolarHBondContact O-N 2.99Å; W1136-E1139 PolarHBondContact O-N 3.39Å; E1139-S1141 PolarHBondContact O-N 3.46Å; E1139-G1142 PolarHBondContact O-N 2.93Å; E1139-S1148 WeakPolarHBondContact OE1-CB 3.14Å; E1139-S1148 PolarHBondContact OE1-OG 3.08Å
1140	K	61.5	Low	59.7	Low	97 Å²	97	73.9 Å²	73.9	42%	0.422	39%	0.387	S	S	.	.	H	α-helix	trans	-64.2	-24.5	-177.5	-60.4	-50.1	-179.8	-163.5	0	113.4	W1136 G1142	W1136-K1140 HydrophobicContact CD2-CG 3.99Å; W1136-K1140 HydrophobicContact CE3-CG 4.32Å; W1136-K1140 HydrophobicContact CG-CG 4.46Å; W1136-K1140 HydrophobicContact CH2-CG 4.47Å; W1136-K1140 HydrophobicContact CZ2-CG 4.14Å; W1136-K1140 WeakPolarHBondContact O-CG 3.16Å; W1136-K1140 PolarHBondContact O-N 3.45Å; K1140-G1142 VanDerWaalsContact C-N 3.28Å; K1140-G1142 PolarHBondContact O-N 2.87Å
1141	S	50	Low	57.7	Low	44 Å²	44	70.2 Å²	70.2	31%	0.308	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-4.1	175.4	63.3	0	0	0	0	114.5	F1137 E1138 E1139	F1137-S1141 WeakPolarHBondContact O-CB 3.49Å; F1137-S1141 PolarHBondContact O-N 2.91Å; F1137-S1141 PolarHBondContact O-OG 2.75Å; E1138-S1141 PolarHBondContact O-OG 3.26Å; E1139-S1141 PolarHBondContact O-N 3.46Å
1142	G	46.1	Very low	55.7	Low	23 Å²	23	70 Å²	70	24%	0.237	38%	0.381	C	S	.	.	T	Hydrogen-bonded Turn	trans	89.4	37.2	162.3	0	0	0	0	0	115.4	K568 E1139 K1140	K568-G1142 PolarHBondContact NZ-O 3.44Å; E1139-G1142 PolarHBondContact O-N 2.93Å; K1140-G1142 VanDerWaalsContact C-N 3.28Å; K1140-G1142 PolarHBondContact O-N 2.87Å
1143	N	41.3	Very low	53.2	Low	123 Å²	123	73.1 Å²	73.1	66%	0.658	40%	0.403	S	S	*	.			trans	-102.5	-11.7	-179.6	-130.7	22.7	0	0	0	115.4
1144	S	33.8	Very low	51.3	Low	65 Å²	65	80.6 Å²	80.6	46%	0.455	43%	0.431	S	S	.	.			trans	-128.8	98	174.1	-164.1	0	0	0	0	112.2	A1146	S1144-A1146 PolarHBondContact O-N 2.81Å
1145	Y	37.4	Very low	49.3	Very low	217 Å²	217	80.9 Å²	80.9	85%	0.851	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.5	23.5	-178	-118.1	-80.9	0	0	0	113.3
1146	A	36.8	Very low	47	Very low	69 Å²	69	84.5 Å²	84.5	57%	0.57	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.1	0.1	-163.5	0	0	0	0	0	115.7	S1144	S1144-A1146 PolarHBondContact O-N 2.81Å
1147	L	38.1	Very low	44.7	Very low	92 Å²	92	87.7 Å²	87.7	48%	0.482	48%	0.484	S	S	.	.	S	Bend	trans	-127.6	-57.6	179.5	-69.5	173	0	0	0	112.7	A1149 E1150 V1151	L1147-A1149 VanDerWaalsContact C-N 3.3Å; L1147-A1149 PolarHBondContact O-N 2.86Å; L1147-A1149 VanDerWaalsContact O-N 3.08Å; L1147-E1150 PolarHBondContact O-N 2.89Å; L1147-V1151 WeakPolarHBondContact O-CG2 3.23Å; L1147-V1151 PolarHBondContact O-N 3.24Å
1148	S	45.2	Very low	42.8	Very low	47 Å²	47	93 Å²	93	33%	0.329	51%	0.513	S	S	.	.	H	α-helix	trans	-46.4	-45.9	-172.8	-145.6	0	0	0	0	114.5	E1139 L1152	E1139-S1148 WeakPolarHBondContact OE1-CB 3.14Å; E1139-S1148 PolarHBondContact OE1-OG 3.08Å; S1148-L1152 WeakPolarHBondContact O-CB 3.36Å; S1148-L1152 WeakPolarHBondContact O-CD1 3.4Å; S1148-L1152 VanDerWaalsContact O-CG 3.28Å; S1148-L1152 WeakPolarHBondContact O-CG 2.99Å; S1148-L1152 PolarHBondContact O-N 2.75Å
1149	A	35.2	Very low	41.2	Very low	68 Å²	68	94 Å²	94	56%	0.562	52%	0.518	S	S	*	.	H	α-helix	trans	-74.9	-29.8	-179.9	0	0	0	0	0	114.1	L1147 S1153	L1147-A1149 VanDerWaalsContact C-N 3.3Å; L1147-A1149 PolarHBondContact O-N 2.86Å; L1147-A1149 VanDerWaalsContact O-N 3.08Å; A1149-S1153 WeakPolarHBondContact O-CB 3.49Å; A1149-S1153 PolarHBondContact O-N 2.67Å; A1149-S1153 VanDerWaalsContact O-N 3.15Å; A1149-S1153 PolarHBondContact O-OG 2.87Å
1150	E	37.5	Very low	39.5	Very low	101 Å²	101	99.5 Å²	99.5	47%	0.472	54%	0.544	S	S	.	.	H	α-helix	trans	-84.8	-37.2	-178.3	-157.9	-179.2	146.6	0	0	111.6	L1147 S1153 R1154	L1147-E1150 PolarHBondContact O-N 2.89Å; E1150-S1153 PolarHBondContact O-N 3.07Å; E1150-R1154 WeakPolarHBondContact O-CB 3.43Å; E1150-R1154 VanDerWaalsContact O-CG 3.27Å; E1150-R1154 WeakPolarHBondContact O-CG 3.32Å; E1150-R1154 PolarHBondContact O-N 3.01Å; E1150-R1154 IonicContact OE1-CZ 2.66Å; E1150-R1154 VanDerWaalsContact OE1-CZ 3.26Å; E1150-R1154 IonicContact OE1-NE 2.77Å; E1150-R1154 PolarHBondContact OE1-NE 3.44Å; E1150-R1154 VanDerWaalsContact OE1-NE 3.07Å; E1150-R1154 IonicContact OE1-NH2 3.33Å; E1150-R1154 PolarHBondContact OE1-NH2 3.35Å
1151	V	44.8	Very low	37.7	Very low	48 Å²	48	104 Å²	104	29%	0.291	56%	0.564	S	S	.	*	H	α-helix	trans	-59.4	-52.7	170.9	174.6	0	0	0	0	110.2	L1147 S1153 R1154 M1155	L1147-V1151 WeakPolarHBondContact O-CG2 3.23Å; L1147-V1151 PolarHBondContact O-N 3.24Å; V1151-S1153 VanDerWaalsContact C-N 3.28Å; V1151-S1153 PolarHBondContact O-N 2.91Å; V1151-R1154 PolarHBondContact O-N 2.85Å; V1151-M1155 HydrophobicContact CG1-CG 4.47Å; V1151-M1155 HydrophobicContact CG1-SD 3.91Å; V1151-M1155 VanDerWaalsContact O-CG 3.31Å; V1151-M1155 WeakPolarHBondContact O-CG 3.12Å; V1151-M1155 PolarHBondContact O-N 3.14Å
1152	L	40.3	Very low	36.6	Very low	104 Å²	104	108.1 Å²	108.1	55%	0.545	59%	0.589	S	S	.	*	H	α-helix	trans	-61.3	-34.3	176.8	-70.8	171.7	0	0	0	112.8	S1148 S1156	S1148-L1152 WeakPolarHBondContact O-CB 3.36Å; S1148-L1152 WeakPolarHBondContact O-CD1 3.4Å; S1148-L1152 VanDerWaalsContact O-CG 3.28Å; S1148-L1152 WeakPolarHBondContact O-CG 2.99Å; S1148-L1152 PolarHBondContact O-N 2.75Å; L1152-S1156 PolarHBondContact O-N 3.06Å; L1152-S1156 PolarHBondContact O-OG 3.25Å
1153	S	36.4	Very low	35.6	Very low	67 Å²	67	111.5 Å²	111.5	47%	0.469	62%	0.615	S	S	.	*	H	α-helix	trans	-66.8	-48.4	173.6	-62.3	0	0	0	0	111.6	A1149 E1150 V1151 M1155 S1156 A1157	A1149-S1153 WeakPolarHBondContact O-CB 3.49Å; A1149-S1153 PolarHBondContact O-N 2.67Å; A1149-S1153 VanDerWaalsContact O-N 3.15Å; A1149-S1153 PolarHBondContact O-OG 2.87Å; E1150-S1153 PolarHBondContact O-N 3.07Å; V1151-S1153 VanDerWaalsContact C-N 3.28Å; V1151-S1153 PolarHBondContact O-N 2.91Å; S1153-M1155 VanDerWaalsContact C-N 3.32Å; S1153-M1155 PolarHBondContact O-N 3.01Å; S1153-S1156 PolarHBondContact O-N 2.89Å; S1153-S1156 PolarHBondContact O-OG 2.77Å; S1153-A1157 VanDerWaalsContact O-CB 3.31Å; S1153-A1157 WeakPolarHBondContact O-CB 3.31Å; S1153-A1157 PolarHBondContact O-N 3.49Å
1154	R	42.3	Very low	35	Very low	167 Å²	167	113.7 Å²	113.7	63%	0.63	63%	0.626	S	S	*	*	H	α-helix	trans	-61.5	-36.9	177.9	-71.4	171	-178.6	-142.4	5	112.4	E1150 V1151 S1156	E1150-R1154 WeakPolarHBondContact O-CB 3.43Å; E1150-R1154 VanDerWaalsContact O-CG 3.27Å; E1150-R1154 WeakPolarHBondContact O-CG 3.32Å; E1150-R1154 PolarHBondContact O-N 3.01Å; E1150-R1154 IonicContact OE1-CZ 2.66Å; E1150-R1154 VanDerWaalsContact OE1-CZ 3.26Å; E1150-R1154 IonicContact OE1-NE 2.77Å; E1150-R1154 PolarHBondContact OE1-NE 3.44Å; E1150-R1154 VanDerWaalsContact OE1-NE 3.07Å; E1150-R1154 IonicContact OE1-NH2 3.33Å; E1150-R1154 PolarHBondContact OE1-NH2 3.35Å; V1151-R1154 PolarHBondContact O-N 2.85Å; R1154-S1156 VanDerWaalsContact C-N 3.25Å; R1154-S1156 PolarHBondContact O-N 3.24Å
1155	M	37.3	Very low	34.6	Very low	89 Å²	89	119.7 Å²	119.7	44%	0.438	65%	0.647	S	S	.	*	H	α-helix	trans	-66.8	-20.6	174.5	-70.1	174.7	76.9	0	0	114	V1151 S1153	V1151-M1155 HydrophobicContact CG1-CG 4.47Å; V1151-M1155 HydrophobicContact CG1-SD 3.91Å; V1151-M1155 VanDerWaalsContact O-CG 3.31Å; V1151-M1155 WeakPolarHBondContact O-CG 3.12Å; V1151-M1155 PolarHBondContact O-N 3.14Å; S1153-M1155 VanDerWaalsContact C-N 3.32Å; S1153-M1155 PolarHBondContact O-N 3.01Å
1156	S	32.4	Very low	34	Very low	96 Å²	96	115.6 Å²	115.6	67%	0.671	64%	0.644	S	S	*	*	H	α-helix	trans	-106	-17.9	-177.9	66.6	0	0	0	0	114.5	L1152 S1153 R1154	L1152-S1156 PolarHBondContact O-N 3.06Å; L1152-S1156 PolarHBondContact O-OG 3.25Å; S1153-S1156 PolarHBondContact O-N 2.89Å; S1153-S1156 PolarHBondContact O-OG 2.77Å; R1154-S1156 VanDerWaalsContact C-N 3.25Å; R1154-S1156 PolarHBondContact O-N 3.24Å
1157	A	33.3	Very low	33.4	Very low	75 Å²	75	120.7 Å²	120.7	62%	0.62	66%	0.659	S	S	*	*	S	Bend	trans	-99.1	10.1	-171.7	0	0	0	0	0	115	S1153	S1153-A1157 VanDerWaalsContact O-CB 3.31Å; S1153-A1157 WeakPolarHBondContact O-CB 3.31Å; S1153-A1157 PolarHBondContact O-N 3.49Å
1158	L	33.9	Very low	32.7	Very low	161 Å²	161	123.8 Å²	123.8	84%	0.843	68%	0.675	S	S	*	*			trans	-100.9	27.6	-176.2	-107.4	166.2	0	0	0	114.8
1159	E	34.8	Very low	31.7	Very low	166 Å²	166	130.7 Å²	130.7	78%	0.776	70%	0.702	S	S	*	*	S	Bend	trans	-109.8	139.5	154.6	-66.6	-159.3	151.6	0	0	110.5
1160	Q	30.7	Very low	31.2	Very low	170 Å²	170	130.7 Å²	130.7	79%	0.794	71%	0.709	S	S	*	*	S	Bend	trans	71.6	69.8	170.6	-47.9	-177.5	32.9	0	0	119
1161	K	24.6	Very low	30.6	Very low	193 Å²	193	132.8 Å²	132.8	84%	0.839	73%	0.729	S	S	*	*				160.7	138.9	113.3	-87.8	164.1	-177.3	174.2	0	113.1
1162	P	25.6	Very low	29.7	Very low	129 Å²	129	138.2 Å²	138.2	84%	0.838	75%	0.751	S	S	*	*			trans	-77.6	126	161.4	32.1	-31	0	0	0	110.2
1163	A	26.8	Very low	29	Very low	95 Å²	95	141.6 Å²	141.6	79%	0.785	76%	0.761	S	S	*	*			trans	-103.7	112.7	171.1	0	0	0	0	0	109.7
1164	L	28.6	Very low	28.4	Very low	168 Å²	168	148.6 Å²	148.6	88%	0.88	78%	0.779	S	S	*	*			trans	-71.4	124.9	170.1	-79.7	157.7	0	0	0	109.6
1165	Q	25.3	Very low	28.4	Very low	192 Å²	192	145.3 Å²	145.3	90%	0.897	78%	0.779	S	S	*	*			trans	-130.8	107.5	160.9	-75.4	-166.3	-42.8	0	0	110
1166	T	24.6	Very low	27.9	Very low	130 Å²	130	148.2 Å²	148.2	80%	0.798	80%	0.796	S	S	*	*			trans	-89	116.8	168.9	43.9	0	0	0	0	109.9
1167	M	24.5	Very low	27.9	Very low	177 Å²	177	155.4 Å²	155.4	87%	0.872	83%	0.825	S	S	*	*			trans	-139.1	102.5	152.2	-61.9	-166	77	0	0	104.9
1168	D	23	Very low	27.6	Very low	156 Å²	156	159.4 Å²	159.4	83%	0.834	84%	0.835	S	S	*	*				72.1	129.6	66.7	-159.9	14.3	0	0	0	111.8
1169	H	24.4	Very low	27.3	Very low	192 Å²	192	159.3 Å²	159.3	89%	0.889	84%	0.835	S	S	*	*			trans	-104.8	132.7	-160.7	-84	-56.5	0	0	0	113.1
1170	G	23.6	Very low	26.9	Very low	68 Å²	68	158.9 Å²	158.9	70%	0.701	84%	0.838	S	S	*	*			trans	114.6	113.4	145.3	0	0	0	0	0	116.2
1171	T	25.4	Very low	26.6	Very low	145 Å²	145	158.3 Å²	158.3	89%	0.89	84%	0.841	S	S	*	*				-152.3	149.6	123.3	-10.6	0	0	0	0	109.8
1172	E	26.5	Very low	26.8	Very low	163 Å²	163	156.1 Å²	156.1	76%	0.762	84%	0.841	S	S	*	*			trans	-76.2	160.3	171.3	-57.1	161.1	131.3	0	0	109.9
1173	F	24.7	Very low	26.8	Very low	174 Å²	174	157.9 Å²	157.9	76%	0.763	84%	0.841	S	S	*	*				170.5	124	116.7	-107.3	-91.5	0	0	0	112.8
1174	Y	25.3	Very low	26.8	Very low	215 Å²	215	162.4 Å²	162.4	84%	0.843	85%	0.845	S	S	*	*			trans	33.6	154.8	148.3	-84.5	-104.3	0	0	0	124.1
1175	P	41.3	Very low	26.7	Very low	97 Å²	97	162 Å²	162	63%	0.63	84%	0.842	S	S	*	*			trans	-100	-158.4	-173.8	43.2	-35.3	0	0	0	113.6
1176	D	26.6	Very low	26.8	Very low	150 Å²	150	159.5 Å²	159.5	80%	0.802	84%	0.837	S	S	*	*			trans	84.3	97	172.4	-59.4	-14.4	0	0	0	117.7
1177	I	32.2	Very low	27	Very low	247 Å²	247	162.2 Å²	162.2	100%	1.267	84%	0.841	S	S	*	*				-162.1	0	116.7	-96.7	162.3	0	0	0	109.6

Retrieved 1,177 of 1,177 residues in 1482.2 ms (Link to these results)

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