A0A096N7Q1_PAPAN Loading...

Dystrophin related protein 2

AlphaFold DB , UniProt , Accession A0A096N7Q1, Species PAPAN (Papio anubis, Olive baboon), Gene DRP2, Length 957 aa.

						>A0A096N7Q1_PAPAN|A0A096N7Q1|DRP2
MQPMVMQGCPYTLPRCHDWQAADQFHHSSSLRSTCPHPQVRAAVTSPAPPQDGAGVHCLSLKLLNGSVGASGPLEPPAMNLCWNEIKKKSHNLRARLEAFSDHSGKLQLPLQEIIDWLSQKDEELSAQLPLQGDVALVQQEKETHAAFMEEVKSRGPYIYSVLESAQAFLSQHPFEELEEPHSESKDTSPKQRIQNLSRFVWKQATVASELWEKLTARCVDQHRHIERTLEQLLEIQGAMEELSTTLSQAEGVRATWEPIGDLFIDSLPEHIQAIKLFKEEFSPMKDGVKLVNDLAHQLAISDVHLSMENSHALEQINVRWKQLQASVSERLKQLQDAHRDFGPGSQHFLSSSVQVPWERAISPNKVPYYINHQAQTTCWDHPKMTELYQTLADLNNIKFSAYRTAMKLRRVQKALRLDLVTLTTALEIFNEHDLQASEHVMDVVEVIHCLTALYERLEEERGILVNVPLCVDMSLNWLLNVFDSGRSGKMRALSFKTGIACLCGTEVKEKLQYLFSQVANSGSQCDQRHLGVLLHEAIQVPRQLGEVAAFGGSNVEPSVRSCFRFSTGKPVIEASQFLEWVNLEPQSMVWLAVLHRVTIAEQVKHQTKCSICRQCPIKGFRYRSLKQFNVDICQTCFLTGRASKGNKLHYPIMEYYTPTTSSENMRDFATTLKNKFRSKHYFSKHPQRGYLPVQSVLEADYSETPASSPMLSHADTHSRIEHFASRLAEMESQNCSFFNDSLSPDDSIDEDQYLLRHSSPITDREPAFGQQAPCSVATESKGELQKILAHLEDENRILQGELRRLKWQHEEAAEAPTLADGSTEAAPDHRNEELLAEARILRQHKSRLETRMQILEDHNKQLESQLQRLRELLLQPPTESDGSGSAGSSLASSPQQSEGSHPREKGQTTPDTEAADDVGSKSQDVSLCLEDIMEKLRHAFPSVRSSDVTANTLLAS
					

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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	34.7	Very low	28	Very low	244 Å²	244	155.2 Å²	155.2	100%	1.202	84%	0.838	S	S	*	*				0	157.4	0	-69.8	168.5	173.8	0	0	108.1
2	Q	25.9	Very low	28	Very low	183 Å²	183	153.7 Å²	153.7	86%	0.855	84%	0.838	S	S	*	*			trans	-80.6	143.8	176.9	-71.6	176.6	-65.5	0	0	110.6
3	P	27.2	Very low	27.6	Very low	114 Å²	114	152.6 Å²	152.6	74%	0.74	83%	0.83	S	S	*	*			trans	-68.7	132.5	171.8	29.2	-33.7	0	0	0	110.1	V5	P3-V5 PolarHBondContact O-N 3.46Å
4	M	27.6	Very low	27.4	Very low	177 Å²	177	148.5 Å²	148.5	87%	0.872	82%	0.815	S	S	*	*			trans	-76.5	94.6	176.4	-78.2	-171	65.5	0	0	110.9	M6	M4-M6 PolarHBondContact O-N 3.35Å; M4-M6 VanDerWaalsContact O-N 3.1Å
5	V	28.3	Very low	27.4	Very low	122 Å²	122	154.5 Å²	154.5	74%	0.739	82%	0.821	S	S	*	*			trans	-66.7	105.2	166.5	179.1	0	0	0	0	108.8	P3 Q7	P3-V5 PolarHBondContact O-N 3.46Å; V5-Q7 PolarHBondContact O-N 3.26Å
6	M	26.5	Very low	27.2	Very low	163 Å²	163	152.2 Å²	152.2	80%	0.803	82%	0.819	S	S	*	*			trans	-67	100.8	169	-76.5	-75.8	-82.5	0	0	109.2	M4 G8	M4-M6 PolarHBondContact O-N 3.35Å; M4-M6 VanDerWaalsContact O-N 3.1Å; M6-G8 PolarHBondContact O-N 3.43Å
7	Q	28.7	Very low	27.2	Very low	182 Å²	182	153.5 Å²	153.5	85%	0.85	82%	0.818	S	S	*	*			trans	-65.7	119	175.5	-70	-176.9	-47.3	0	0	110.2	V5	V5-Q7 PolarHBondContact O-N 3.26Å
8	G	29.2	Very low	27.2	Very low	78 Å²	78	153.7 Å²	153.7	80%	0.804	82%	0.819	S	S	*	*			trans	-70	131.7	171.2	0	0	0	0	0	111.5	M6	M6-G8 PolarHBondContact O-N 3.43Å
9	C	25.1	Very low	27.2	Very low	122 Å²	122	154.9 Å²	154.9	82%	0.824	81%	0.811	S	S	*	*			trans	-140.5	147.6	163.3	-127.8	0	0	0	0	109
10	P	31.7	Very low	27.2	Very low	102 Å²	102	156.9 Å²	156.9	66%	0.662	82%	0.816	S	S	*	*			trans	-100	132.5	-146.5	35.2	-34.1	0	0	0	114.9
11	Y	23.1	Very low	27.1	Very low	220 Å²	220	154.5 Å²	154.5	86%	0.863	82%	0.819	S	S	*	*			trans	-130.6	85	158.9	-85.2	-83.2	0	0	0	110.4	L13	Y11-L13 PolarHBondContact O-N 3.01Å
12	T	27.7	Very low	26.8	Very low	137 Å²	137	147.1 Å²	147.1	84%	0.84	80%	0.797	S	S	*	*			trans	-80.5	106.8	168.3	49	0	0	0	0	109.9
13	L	23.4	Very low	26.9	Very low	140 Å²	140	144.9 Å²	144.9	73%	0.733	79%	0.791	S	S	*	*			trans	-116.4	158.1	163.3	-81.1	170.3	0	0	0	109.5	Y11	Y11-L13 PolarHBondContact O-N 3.01Å
14	P	25.3	Very low	26.9	Very low	95 Å²	95	146 Å²	146	62%	0.617	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-90	148.9	-138.7	-12.4	29.9	0	0	0	114.8	C16	P14-C16 PolarHBondContact O-N 3.09Å
15	R	27.1	Very low	26.9	Very low	239 Å²	239	144.9 Å²	144.9	90%	0.902	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-60.3	129.1	155.4	-74.2	-177.8	170.1	-177.7	-5.4	109.1
16	C	23.6	Very low	27	Very low	117 Å²	117	146 Å²	146	79%	0.791	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-72	156.4	160.2	-77.6	0	0	0	0	110.1	P14	P14-C16 PolarHBondContact O-N 3.09Å
17	H	26.6	Very low	27.1	Very low	174 Å²	174	145.3 Å²	145.3	81%	0.806	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-84	148.3	-172.7	-74.6	-89.9	0	0	0	113
18	D	28.5	Very low	27.1	Very low	157 Å²	157	141.2 Å²	141.2	84%	0.84	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-66.1	138.2	173.3	-48.1	-86.6	0	0	0	112.3
19	W	26.2	Very low	27.2	Very low	178 Å²	178	142.7 Å²	142.7	67%	0.674	76%	0.758	S	S	*	*			trans	-97.9	102.9	168.2	-70.6	93.6	0	0	0	110.4
20	Q	27.9	Very low	27.5	Very low	194 Å²	194	141.5 Å²	141.5	91%	0.907	75%	0.751	S	S	*	*			trans	-139.6	129.2	164	-71.7	-166.6	-13.7	0	0	111.5
21	A	26	Very low	27.6	Very low	106 Å²	106	144 Å²	144	88%	0.876	76%	0.758	S	S	*	*			trans	-102.3	141.4	161.8	0	0	0	0	0	108.5
22	A	26.6	Very low	27.7	Very low	90 Å²	90	145.3 Å²	145.3	74%	0.744	76%	0.761	S	S	*	*			trans	-115	150.2	-172	0	0	0	0	0	112.1
23	D	27.9	Very low	27.7	Very low	136 Å²	136	143.6 Å²	143.6	73%	0.727	76%	0.755	S	S	*	*			trans	166.2	148.3	145.5	-91	-23.5	0	0	0	109.9
24	Q	28.5	Very low	27.8	Very low	138 Å²	138	143.7 Å²	143.7	65%	0.645	76%	0.762	S	S	*	*			cis	-156.5	145.7	-6.3	-134.6	156.6	57.7	0	0	110.1
25	F	27.5	Very low	27.9	Very low	152 Å²	152	145 Å²	145	67%	0.667	77%	0.772	S	S	*	*			trans	32	152.7	137.2	-73.3	-110.9	0	0	0	122	H27	F25-H27 AromaticContact CD1-CE1 3.92Å; F25-H27 AromaticContact CD1-NE2 3.96Å; F25-H27 AromaticContact CE1-CE1 3.87Å
26	H	30.1	Very low	29.1	Very low	147 Å²	147	139.2 Å²	139.2	68%	0.681	77%	0.765	S	S	*	*			cis	-148.1	157.4	34.5	-84.7	-78.5	0	0	0	114.8
27	H	28.9	Very low	29.3	Very low	147 Å²	147	142 Å²	142	68%	0.681	77%	0.766	S	S	*	*			trans	16.3	155.5	141.7	-48.3	-41.8	0	0	0	122.2	F25	F25-H27 AromaticContact CD1-CE1 3.92Å; F25-H27 AromaticContact CD1-NE2 3.96Å; F25-H27 AromaticContact CE1-CE1 3.87Å
28	S	28.8	Very low	30.6	Very low	96 Å²	96	138 Å²	138	67%	0.671	76%	0.756	S	S	*	*			cis	-161.5	145.6	33.4	59	0	0	0	0	118
29	S	31.1	Very low	30.8	Very low	109 Å²	109	138.8 Å²	138.8	76%	0.762	75%	0.754	S	S	*	*			trans	64	151.2	133.8	65.2	0	0	0	0	122.5
30	S	31.1	Very low	31	Very low	98 Å²	98	135.9 Å²	135.9	69%	0.685	76%	0.756	S	S	*	*			cis	-171.9	121.5	-17.2	168.9	0	0	0	0	114.3
31	L	32.9	Very low	31.2	Very low	154 Å²	154	137.3 Å²	137.3	81%	0.806	75%	0.753	S	S	*	*			trans	41.6	131.3	135.2	-56.4	167.4	0	0	0	123.9
32	R	25.6	Very low	31.4	Very low	247 Å²	247	136.8 Å²	136.8	93%	0.932	75%	0.749	S	S	*	*				-138.3	136.9	114	-64.7	-174.7	-179.3	-179	0.5	107.5
33	S	28.5	Very low	31.6	Very low	102 Å²	102	136.5 Å²	136.5	71%	0.713	75%	0.746	S	S	*	*			cis	110.3	106.6	7.1	-169.3	0	0	0	0	115.1
34	T	25.9	Very low	31.6	Very low	142 Å²	142	136.5 Å²	136.5	87%	0.871	75%	0.751	S	S	*	*			trans	-155.5	145.8	154.2	17.6	0	0	0	0	110.9
35	C	27	Very low	31.6	Very low	122 Å²	122	136.1 Å²	136.1	82%	0.824	76%	0.758	S	S	*	*			trans	-138.8	-173.2	-178.5	-92.3	0	0	0	0	107.9
36	P	51	Low	31.7	Very low	117 Å²	117	134 Å²	134	76%	0.76	76%	0.763	S	S	*	*			cis	-125.2	174.3	11.7	18.3	9.7	0	0	0	115.2
37	H	29.6	Very low	31.9	Very low	175 Å²	175	133.1 Å²	133.1	81%	0.81	77%	0.77	S	S	*	*			cis	83.5	161.1	38.2	-131.7	31.1	0	0	0	113.6
38	P	53.9	Low	32	Very low	91 Å²	91	130.4 Å²	130.4	59%	0.591	77%	0.773	S	S	*	*			cis	-146.6	-158.1	5.6	35.6	-9.4	0	0	0	117.5
39	Q	32.3	Very low	32.8	Very low	174 Å²	174	131.3 Å²	131.3	81%	0.813	78%	0.776	S	S	*	*			trans	90	155.6	160.3	-50	-150.3	84.1	0	0	117.4
40	V	30.9	Very low	33.6	Very low	117 Å²	117	131 Å²	131	71%	0.709	77%	0.772	S	S	*	*			cis	-167.9	167.7	-9.9	123.6	0	0	0	0	109.2
41	R	31.3	Very low	33.4	Very low	223 Å²	223	134.3 Å²	134.3	84%	0.842	78%	0.776	S	S	*	*			cis	177	137.4	-42.3	-174.5	-177.8	-175.5	-164.4	1.9	111.6
42	A	30.2	Very low	33	Very low	95 Å²	95	134.2 Å²	134.2	79%	0.785	78%	0.777	S	S	*	*			trans	68.5	176.3	163	0	0	0	0	0	119.8
43	A	29.6	Very low	33	Very low	84 Å²	84	125.8 Å²	125.8	69%	0.694	77%	0.767	S	S	*	*				-171.8	160.7	-53	0	0	0	0	0	113.1
44	V	28.2	Very low	33	Very low	136 Å²	136	125.9 Å²	125.9	82%	0.824	77%	0.773	S	S	*	*			trans	69.3	131.6	161.5	-163.2	0	0	0	0	120.2
45	T	29.6	Very low	33.1	Very low	131 Å²	131	122.9 Å²	122.9	80%	0.804	77%	0.771	S	S	*	*				150.3	142	123.7	-47.6	0	0	0	0	112.7
46	S	28.7	Very low	33.1	Very low	108 Å²	108	124 Å²	124	76%	0.755	77%	0.773	S	S	*	*			trans	-109.2	166	174.8	-47.7	0	0	0	0	111.8
47	P	35.7	Very low	32	Very low	128 Å²	128	126.9 Å²	126.9	83%	0.831	78%	0.776	S	S	*	*				-148.7	172.7	93.2	39	-21.9	0	0	0	116.2
48	A	31	Very low	31.8	Very low	90 Å²	90	123.9 Å²	123.9	74%	0.744	77%	0.774	S	S	*	*			trans	-104.9	-159	168.4	0	0	0	0	0	108.9
49	P	45.5	Very low	30.5	Very low	115 Å²	115	126.8 Å²	126.8	75%	0.747	78%	0.784	S	S	*	*			cis	-137.6	-134.6	-0.7	45	-22.8	0	0	0	110.5
50	P	46.6	Very low	30.2	Very low	103 Å²	103	124.1 Å²	124.1	67%	0.669	79%	0.785	S	S	*	*			cis	-127.1	159.8	-36.7	35.2	-19.6	0	0	0	114.6
51	Q	27.3	Very low	30	Very low	167 Å²	167	125.8 Å²	125.8	78%	0.78	79%	0.789	S	S	*	*				159.5	145.7	122.3	-90.4	-177.7	-23.9	0	0	113.1
52	D	24.5	Very low	30	Very low	152 Å²	152	124.6 Å²	124.6	81%	0.813	79%	0.79	S	S	*	*			trans	23.3	140.4	152.9	-49.7	-13.3	0	0	0	121.1
53	G	26.2	Very low	30.1	Very low	70 Å²	70	127.9 Å²	127.9	72%	0.722	79%	0.793	S	S	*	*			cis	158.5	173.7	1.7	0	0	0	0	0	112.3
54	A	27.5	Very low	30.3	Very low	103 Å²	103	131.4 Å²	131.4	85%	0.851	80%	0.799	S	S	*	*			trans	56	100.8	172.6	0	0	0	0	0	117.9
55	G	28.6	Very low	30.4	Very low	80 Å²	80	133.4 Å²	133.4	83%	0.825	81%	0.805	S	S	*	*			trans	-79.3	161.1	156.1	0	0	0	0	0	112
56	V	27.1	Very low	30.5	Very low	144 Å²	144	130.8 Å²	130.8	87%	0.873	80%	0.804	S	S	*	*			trans	-126.5	132.7	174.5	179.6	0	0	0	0	109.9
57	H	28.1	Very low	30.5	Very low	178 Å²	178	131.5 Å²	131.5	82%	0.824	81%	0.81	S	S	*	*			trans	-96	172.5	-178.4	-116.1	-95.4	0	0	0	112.4
58	C	25.3	Very low	30.6	Very low	112 Å²	112	132.8 Å²	132.8	76%	0.757	82%	0.815	S	S	*	*			trans	76.2	151.5	163.3	-112.8	0	0	0	0	115.4
59	L	26.3	Very low	30.6	Very low	152 Å²	152	132 Å²	132	80%	0.796	82%	0.815	S	S	*	*			cis	-132.5	156.2	15.1	-76	154.5	0	0	0	112.7
60	S	26.1	Very low	30.4	Very low	119 Å²	119	131 Å²	131	83%	0.832	82%	0.816	S	S	*	*			trans	-146.8	143.3	149	-168	0	0	0	0	110.5
61	L	27.8	Very low	30	Very low	152 Å²	152	132.1 Å²	132.1	80%	0.796	83%	0.827	S	S	*	*			trans	-86.4	140.3	-169.5	-90.9	64.4	0	0	0	113
62	K	30.9	Very low	30.5	Very low	198 Å²	198	127.9 Å²	127.9	86%	0.861	83%	0.828	S	S	*	*			trans	-142.1	107.8	148.5	-80.3	-163.6	177.3	179	0	113.4
63	L	30.7	Very low	32.6	Very low	163 Å²	163	126.8 Å²	126.8	85%	0.853	83%	0.829	S	S	*	*			trans	63.4	153.8	140.7	-76	156.1	0	0	0	121.6
64	L	34.4	Very low	33.3	Very low	159 Å²	159	131.2 Å²	131.2	83%	0.832	84%	0.835	S	S	*	*			trans	-89.2	151.7	-177.6	-62.1	80.3	0	0	0	111.6
65	N	30.6	Very low	34	Very low	177 Å²	177	132.8 Å²	132.8	95%	0.947	83%	0.825	S	S	*	*			trans	-150.1	147.5	131.1	-123.1	-19.3	0	0	0	109.1
66	G	31.5	Very low	35.3	Very low	76 Å²	76	133.8 Å²	133.8	78%	0.784	82%	0.817	S	S	*	*			trans	-116.4	162.5	-162.8	0	0	0	0	0	116.1
67	S	29.5	Very low	36.8	Very low	124 Å²	124	129.4 Å²	129.4	87%	0.867	79%	0.791	S	S	*	*			trans	-145	162.7	156.7	72.4	0	0	0	0	109.8
68	V	37.8	Very low	38.1	Very low	155 Å²	155	124.2 Å²	124.2	94%	0.939	78%	0.779	S	S	*	*			trans	-99.5	131.3	-169.8	175.2	0	0	0	0	111.1
69	G	30.5	Very low	39.6	Very low	73 Å²	73	126.4 Å²	126.4	75%	0.753	78%	0.78	S	S	*	*			trans	-169.8	70	-177.4	0	0	0	0	0	116.8
70	A	40.4	Very low	41.8	Very low	93 Å²	93	123.5 Å²	123.5	77%	0.769	77%	0.766	S	S	*	*			trans	37.3	137.2	153.7	0	0	0	0	0	123.6
71	S	38.8	Very low	43.9	Very low	128 Å²	128	123.9 Å²	123.9	90%	0.895	76%	0.758	S	S	*	*			trans	82.6	135	154.6	77.7	0	0	0	0	120.2
72	G	37.5	Very low	45.8	Very low	77 Å²	77	120.2 Å²	120.2	79%	0.794	74%	0.744	S	S	*	*			trans	106.8	116.6	170.2	0	0	0	0	0	116.2
73	P	68.3	Low	47.8	Very low	129 Å²	129	118.5 Å²	118.5	84%	0.838	73%	0.732	S	S	*	*			trans	-104.3	123.2	175.1	35.1	-28.1	0	0	0	114.2
74	L	40.8	Very low	50	Low	164 Å²	164	115 Å²	115	86%	0.859	71%	0.714	S	S	*	*			trans	-164.8	154.4	171.7	-90.3	173.6	0	0	0	108
75	E	43.6	Very low	51.9	Low	135 Å²	135	110.8 Å²	110.8	63%	0.631	69%	0.69	S	S	*	*			cis	-159.1	145.8	-13.9	-158.5	-161.6	-152.1	0	0	109.6	P77	E75-P77 VanDerWaalsContact C-CD 3.42Å; E75-P77 VanDerWaalsContact CD-CD 3.47Å; E75-P77 VanDerWaalsContact CG-CD 3.45Å; E75-P77 HydrophobicContact CG-CG 4.13Å; E75-P77 VanDerWaalsContact OE2-CD 3.23Å; E75-P77 WeakPolarHBondContact OE2-CD 3.48Å; E75-P77 WeakPolarHBondContact OE2-CG 3.39Å
76	P	55.2	Low	54.1	Low	101 Å²	101	106.7 Å²	106.7	66%	0.656	67%	0.668	S	S	*	*	S	Bend	trans	-77.3	-19	-176.4	-20.1	34.7	0	0	0	121.7	N80	P76-N80 PolarHBondContact O-ND2 3.11Å
77	P	58.4	Low	56.2	Low	52 Å²	52	109.6 Å²	109.6	34%	0.338	66%	0.658	S	S	.	*	H	α-helix	trans	-81.7	-28.1	-164	31	-35	0	0	0	114.6	E75 M79 N80 L81	E75-P77 VanDerWaalsContact C-CD 3.42Å; E75-P77 VanDerWaalsContact CD-CD 3.47Å; E75-P77 VanDerWaalsContact CG-CD 3.45Å; E75-P77 HydrophobicContact CG-CG 4.13Å; E75-P77 VanDerWaalsContact OE2-CD 3.23Å; E75-P77 WeakPolarHBondContact OE2-CD 3.48Å; E75-P77 WeakPolarHBondContact OE2-CG 3.39Å; P77-M79 VanDerWaalsContact C-N 3.29Å; P77-M79 PolarHBondContact O-N 3.41Å; P77-N80 WeakPolarHBondContact O-CA 3.49Å; P77-N80 WeakPolarHBondContact O-CB 3.21Å; P77-N80 PolarHBondContact O-N 2.89Å; P77-L81 PolarHBondContact O-N 3.47Å
78	A	56	Low	58.4	Low	69 Å²	69	110.2 Å²	110.2	57%	0.57	65%	0.646	S	S	*	*	H	α-helix	trans	-60.4	-38.6	-179.3	0	0	0	0	0	112.5	N80 L81 C82	A78-N80 VanDerWaalsContact C-N 3.34Å; A78-L81 PolarHBondContact O-N 3.18Å; A78-C82 PolarHBondContact O-N 3.04Å
79	M	56.9	Low	60.1	Low	158 Å²	158	109.2 Å²	109.2	78%	0.778	63%	0.629	S	S	*	*	H	α-helix	trans	-66.7	-35.7	175.3	-167	172.9	-177.4	0	0	111.8	P77 W83	P77-M79 VanDerWaalsContact C-N 3.29Å; P77-M79 PolarHBondContact O-N 3.41Å; M79-W83 VanDerWaalsContact O-CB 3.27Å; M79-W83 WeakPolarHBondContact O-CB 3.2Å; M79-W83 PolarHBondContact O-N 2.8Å
80	N	71.4	Confident	62.1	Low	92 Å²	92	108.4 Å²	108.4	49%	0.492	61%	0.611	S	S	.	*	H	α-helix	trans	-70.8	-36.7	175.7	-78	-79.9	0	0	0	112.7	P76 P77 A78 W83 N84	P76-N80 PolarHBondContact O-ND2 3.11Å; P77-N80 WeakPolarHBondContact O-CA 3.49Å; P77-N80 WeakPolarHBondContact O-CB 3.21Å; P77-N80 PolarHBondContact O-N 2.89Å; A78-N80 VanDerWaalsContact C-N 3.34Å; N80-W83 PolarHBondContact O-N 3.29Å; N80-N84 WeakPolarHBondContact O-CB 3.2Å; N80-N84 PolarHBondContact O-N 3.49Å; N80-N84 PolarHBondContact O-ND2 3.44Å
81	L	70.8	Confident	63.7	Low	126 Å²	126	109.6 Å²	109.6	66%	0.66	60%	0.601	S	S	*	*	H	α-helix	trans	-64.5	-46.4	172.5	-81.6	163.3	0	0	0	111.6	P77 A78 W83 N84 E85	P77-L81 PolarHBondContact O-N 3.47Å; A78-L81 PolarHBondContact O-N 3.18Å; L81-W83 PolarHBondContact O-N 3.39Å; L81-N84 PolarHBondContact O-N 2.77Å; L81-E85 PolarHBondContact O-N 2.91Å
82	C	68.2	Low	65.3	Low	75 Å²	75	108 Å²	108	51%	0.507	58%	0.582	S	S	.	*	H	α-helix	trans	-59.1	-46.4	174.1	-172.2	0	0	0	0	111.5	A78 N84 E85 I86	A78-C82 PolarHBondContact O-N 3.04Å; C82-N84 PolarHBondContact O-N 3.44Å; C82-E85 PolarHBondContact O-N 2.87Å; C82-I86 WeakPolarHBondContact O-CB 3.3Å; C82-I86 VanDerWaalsContact O-CG1 3.31Å; C82-I86 WeakPolarHBondContact O-CG1 3.46Å; C82-I86 PolarHBondContact O-N 2.85Å
83	W	71.7	Confident	66.7	Low	163 Å²	163	108.8 Å²	108.8	62%	0.617	57%	0.568	S	S	*	*	H	α-helix	trans	-61.2	-40.5	176.5	-174.3	-118.2	0	0	0	112.9	M79 N80 L81 I86 K87	M79-W83 VanDerWaalsContact O-CB 3.27Å; M79-W83 WeakPolarHBondContact O-CB 3.2Å; M79-W83 PolarHBondContact O-N 2.8Å; N80-W83 PolarHBondContact O-N 3.29Å; L81-W83 PolarHBondContact O-N 3.39Å; W83-I86 PolarHBondContact O-N 3.46Å; W83-K87 WeakPolarHBondContact O-CB 3.27Å; W83-K87 PolarHBondContact O-N 2.85Å
84	N	77.9	Confident	66.8	Low	88 Å²	88	108.7 Å²	108.7	47%	0.471	55%	0.55	S	S	.	*	H	α-helix	trans	-68.9	-38.4	176.9	-78.7	-35.2	0	0	0	112.7	N80 L81 C82 K87 K88	N80-N84 WeakPolarHBondContact O-CB 3.2Å; N80-N84 PolarHBondContact O-N 3.49Å; N80-N84 PolarHBondContact O-ND2 3.44Å; L81-N84 PolarHBondContact O-N 2.77Å; C82-N84 PolarHBondContact O-N 3.44Å; N84-K87 PolarHBondContact O-N 3.12Å; N84-K88 WeakPolarHBondContact O-CB 3.36Å; N84-K88 PolarHBondContact O-N 2.91Å
85	E	74.9	Confident	68.2	Low	72 Å²	72	103 Å²	103	34%	0.336	53%	0.527	S	S	.	.	H	α-helix	trans	-68	-38.4	172.3	-97.1	-69.5	128.2	0	0	112.2	L81 C82 K88 K89	L81-E85 PolarHBondContact O-N 2.91Å; C82-E85 PolarHBondContact O-N 2.87Å; E85-K88 PolarHBondContact O-N 2.8Å; E85-K88 WeakPolarHBondContact OE1-CD 3.44Å; E85-K88 WeakPolarHBondContact OE1-CE 3.5Å; E85-K88 IonicContact OE1-NZ 2.74Å; E85-K88 PolarHBondContact OE1-NZ 3.45Å; E85-K89 VanDerWaalsContact O-CB 3.28Å; E85-K89 WeakPolarHBondContact O-CB 3.31Å; E85-K89 WeakPolarHBondContact O-CG 3.17Å; E85-K89 PolarHBondContact O-N 2.95Å; E85-K89 WeakPolarHBondContact OE2-CE 3.33Å; E85-K89 IonicContact OE2-NZ 2.75Å; E85-K89 PolarHBondContact OE2-NZ 3.46Å
86	I	75.5	Confident	69.4	Low	91 Å²	91	103.6 Å²	103.6	47%	0.467	52%	0.524	S	S	.	.	H	α-helix	trans	-62.9	-43.2	171.5	-70.8	167.4	0	0	0	110.7	C82 W83 K89 S90	C82-I86 WeakPolarHBondContact O-CB 3.3Å; C82-I86 VanDerWaalsContact O-CG1 3.31Å; C82-I86 WeakPolarHBondContact O-CG1 3.46Å; C82-I86 PolarHBondContact O-N 2.85Å; W83-I86 PolarHBondContact O-N 3.46Å; I86-K89 PolarHBondContact O-N 3.39Å; I86-S90 WeakPolarHBondContact O-CB 3.47Å; I86-S90 PolarHBondContact O-N 3.22Å
87	K	76.1	Confident	69.9	Low	136 Å²	136	101.3 Å²	101.3	59%	0.591	51%	0.505	S	S	*	.	H	α-helix	trans	-65	-41.1	177.8	-172	176.8	-179.1	-177.3	0	111.9	W83 N84 S90 H91	W83-K87 WeakPolarHBondContact O-CB 3.27Å; W83-K87 PolarHBondContact O-N 2.85Å; N84-K87 PolarHBondContact O-N 3.12Å; K87-S90 PolarHBondContact O-N 3.2Å; K87-H91 WeakPolarHBondContact O-CB 3.3Å; K87-H91 PolarHBondContact O-N 2.86Å
88	K	75.8	Confident	70.6	Confident	138 Å²	138	103.6 Å²	103.6	60%	0.6	51%	0.512	S	S	*	.	H	α-helix	trans	-67.4	-43.9	175.1	179.1	176.8	158.8	-151.1	0	112	N84 E85 H91 N92	N84-K88 WeakPolarHBondContact O-CB 3.36Å; N84-K88 PolarHBondContact O-N 2.91Å; E85-K88 PolarHBondContact O-N 2.8Å; E85-K88 WeakPolarHBondContact OE1-CD 3.44Å; E85-K88 WeakPolarHBondContact OE1-CE 3.5Å; E85-K88 IonicContact OE1-NZ 2.74Å; E85-K88 PolarHBondContact OE1-NZ 3.45Å; K88-H91 PolarHBondContact O-N 3.49Å; K88-N92 WeakPolarHBondContact O-CB 3.4Å; K88-N92 PolarHBondContact O-N 3.36Å
89	K	73.6	Confident	71.1	Confident	134 Å²	134	102.5 Å²	102.5	58%	0.583	50%	0.502	S	S	*	.	H	α-helix	trans	-65.1	-40.3	173.2	-76.9	167.3	171.8	139.7	0	112	E85 I86 N92 L93	E85-K89 VanDerWaalsContact O-CB 3.28Å; E85-K89 WeakPolarHBondContact O-CB 3.31Å; E85-K89 WeakPolarHBondContact O-CG 3.17Å; E85-K89 PolarHBondContact O-N 2.95Å; E85-K89 WeakPolarHBondContact OE2-CE 3.33Å; E85-K89 IonicContact OE2-NZ 2.75Å; E85-K89 PolarHBondContact OE2-NZ 3.46Å; I86-K89 PolarHBondContact O-N 3.39Å; K89-N92 PolarHBondContact O-N 2.9Å; K89-L93 VanDerWaalsContact O-CB 3.22Å; K89-L93 WeakPolarHBondContact O-CB 3.46Å; K89-L93 PolarHBondContact O-N 3.24Å
90	S	72.7	Confident	71.7	Confident	55 Å²	55	95.4 Å²	95.4	39%	0.385	47%	0.467	S	S	.	.	H	α-helix	trans	-63.7	-42.5	173.9	178.8	0	0	0	0	111.8	I86 K87 L93 R94	I86-S90 WeakPolarHBondContact O-CB 3.47Å; I86-S90 PolarHBondContact O-N 3.22Å; K87-S90 PolarHBondContact O-N 3.2Å; S90-L93 PolarHBondContact O-N 2.93Å; S90-R94 VanDerWaalsContact O-CB 3.31Å; S90-R94 WeakPolarHBondContact O-CB 3.29Å; S90-R94 PolarHBondContact O-N 3.49Å
91	H	73.9	Confident	71.6	Confident	119 Å²	119	94.4 Å²	94.4	55%	0.551	47%	0.467	S	S	*	.	H	α-helix	trans	-68.7	-40.3	176.9	-171	22.3	0	0	0	112.3	K87 K88 R94 A95	K87-H91 WeakPolarHBondContact O-CB 3.3Å; K87-H91 PolarHBondContact O-N 2.86Å; K88-H91 PolarHBondContact O-N 3.49Å; H91-R94 PolarHBondContact O-N 2.89Å; H91-A95 WeakPolarHBondContact O-CB 3.47Å; H91-A95 PolarHBondContact O-N 3.43Å
92	N	72	Confident	71.6	Confident	93 Å²	93	92.9 Å²	92.9	50%	0.497	46%	0.46	S	S	.	.	H	α-helix	trans	-65.5	-41.9	173.2	-177.5	-96.5	0	0	0	112	K88 K89 R94 A95 R96	K88-N92 WeakPolarHBondContact O-CB 3.4Å; K88-N92 PolarHBondContact O-N 3.36Å; K89-N92 PolarHBondContact O-N 2.9Å; N92-R94 VanDerWaalsContact C-N 3.33Å; N92-R94 PolarHBondContact O-N 2.75Å; N92-A95 PolarHBondContact O-N 3.18Å; N92-R96 WeakPolarHBondContact O-CB 3.4Å; N92-R96 VanDerWaalsContact O-CG 3.26Å; N92-R96 WeakPolarHBondContact O-CG 3.35Å; N92-R96 PolarHBondContact O-N 2.95Å; N92-R96 WeakPolarHBondContact OD1-CD 3.44Å
93	L	67.4	Low	71.8	Confident	94 Å²	94	94.4 Å²	94.4	49%	0.492	46%	0.459	S	S	.	.	H	α-helix	trans	-62.6	-41.1	174.4	-166	81.1	0	0	0	110.9	K89 S90 R96 L97	K89-L93 VanDerWaalsContact O-CB 3.22Å; K89-L93 WeakPolarHBondContact O-CB 3.46Å; K89-L93 PolarHBondContact O-N 3.24Å; S90-L93 PolarHBondContact O-N 2.93Å; L93-R96 PolarHBondContact O-N 2.94Å; L93-L97 HydrophobicContact CD2-CD1 4.37Å; L93-L97 HydrophobicContact CG-CD1 4.1Å; L93-L97 WeakPolarHBondContact O-CB 3.15Å; L93-L97 WeakPolarHBondContact O-CD1 3.44Å; L93-L97 VanDerWaalsContact O-CG 3.3Å; L93-L97 WeakPolarHBondContact O-CG 3.13Å; L93-L97 PolarHBondContact O-N 3.23Å
94	R	70.5	Confident	71.7	Confident	127 Å²	127	86.8 Å²	86.8	48%	0.479	43%	0.431	S	S	.	.	H	α-helix	trans	-64.3	-52.2	175.8	-172.3	-174.7	-61.6	127.5	8.4	111.5	S90 H91 N92 R96 L97 E98	S90-R94 VanDerWaalsContact O-CB 3.31Å; S90-R94 WeakPolarHBondContact O-CB 3.29Å; S90-R94 PolarHBondContact O-N 3.49Å; H91-R94 PolarHBondContact O-N 2.89Å; N92-R94 VanDerWaalsContact C-N 3.33Å; N92-R94 PolarHBondContact O-N 2.75Å; R94-R96 PolarHBondContact O-N 3.09Å; R94-L97 CarbonylContact O-C 3.53Å; R94-L97 WeakPolarHBondContact O-CA 3.4Å; R94-L97 WeakPolarHBondContact O-CB 3.41Å; R94-L97 PolarHBondContact O-N 3.41Å; R94-E98 WeakPolarHBondContact CD-OE1 3.45Å; R94-E98 VanDerWaalsContact CG-CD 3.49Å; R94-E98 HydrophobicContact CG-CG 4.24Å; R94-E98 WeakPolarHBondContact CG-OE1 3.43Å; R94-E98 WeakPolarHBondContact O-CB 3.49Å; R94-E98 WeakPolarHBondContact O-CG 3.2Å; R94-E98 PolarHBondContact O-N 2.85Å
95	A	69.1	Low	71.4	Confident	44 Å²	44	84.1 Å²	84.1	36%	0.364	42%	0.424	S	S	.	.	H	α-helix	trans	-59.5	-34.1	177.9	0	0	0	0	0	112.3	H91 N92 E98 A99	H91-A95 WeakPolarHBondContact O-CB 3.47Å; H91-A95 PolarHBondContact O-N 3.43Å; N92-A95 PolarHBondContact O-N 3.18Å; A95-E98 WeakPolarHBondContact CA-OE2 3.24Å; A95-A99 WeakPolarHBondContact O-CB 3.48Å; A95-A99 PolarHBondContact O-N 3.26Å
96	R	68.6	Low	71.5	Confident	149 Å²	149	87.2 Å²	87.2	56%	0.562	44%	0.436	S	S	*	.	H	α-helix	trans	-70.2	-36.6	171.4	-75.2	177.3	63.4	177	2.1	113.4	N92 L93 R94 F100	N92-R96 WeakPolarHBondContact O-CB 3.4Å; N92-R96 VanDerWaalsContact O-CG 3.26Å; N92-R96 WeakPolarHBondContact O-CG 3.35Å; N92-R96 PolarHBondContact O-N 2.95Å; N92-R96 WeakPolarHBondContact OD1-CD 3.44Å; L93-R96 PolarHBondContact O-N 2.94Å; R94-R96 PolarHBondContact O-N 3.09Å; R96-F100 WeakPolarHBondContact O-CB 3.44Å; R96-F100 PolarHBondContact O-N 3.4Å
97	L	66.9	Low	71.9	Confident	52 Å²	52	83.5 Å²	83.5	27%	0.272	42%	0.417	S	S	.	.	H	α-helix	trans	-71.7	-38.5	175.8	-79.5	161.3	0	0	0	112	L93 R94 S101 P190 I194	L93-L97 HydrophobicContact CD2-CD1 4.37Å; L93-L97 HydrophobicContact CG-CD1 4.1Å; L93-L97 WeakPolarHBondContact O-CB 3.15Å; L93-L97 WeakPolarHBondContact O-CD1 3.44Å; L93-L97 VanDerWaalsContact O-CG 3.3Å; L93-L97 WeakPolarHBondContact O-CG 3.13Å; L93-L97 PolarHBondContact O-N 3.23Å; R94-L97 CarbonylContact O-C 3.53Å; R94-L97 WeakPolarHBondContact O-CA 3.4Å; R94-L97 WeakPolarHBondContact O-CB 3.41Å; R94-L97 PolarHBondContact O-N 3.41Å; L97-S101 VanDerWaalsContact O-CB 3.29Å; L97-S101 WeakPolarHBondContact O-CB 3.47Å; L97-S101 PolarHBondContact O-N 3.41Å; L97-P190 HydrophobicContact CD1-CB 4.05Å; L97-P190 HydrophobicContact CD2-CB 4.06Å; L97-I194 HydrophobicContact CD2-CD1 3.7Å; L97-I194 HydrophobicContact CD2-CG1 4.07Å
98	E	72.1	Confident	72.1	Confident	101 Å²	101	80 Å²	80	47%	0.472	40%	0.403	S	S	.	.	H	α-helix	trans	-64.5	-52.9	173.5	-71.6	160.6	168	0	0	109.7	R94 A95 F100 S101 D102	R94-E98 WeakPolarHBondContact CD-OE1 3.45Å; R94-E98 VanDerWaalsContact CG-CD 3.49Å; R94-E98 HydrophobicContact CG-CG 4.24Å; R94-E98 WeakPolarHBondContact CG-OE1 3.43Å; R94-E98 WeakPolarHBondContact O-CB 3.49Å; R94-E98 WeakPolarHBondContact O-CG 3.2Å; R94-E98 PolarHBondContact O-N 2.85Å; A95-E98 WeakPolarHBondContact CA-OE2 3.24Å; E98-F100 VanDerWaalsContact C-N 3.32Å; E98-F100 PolarHBondContact O-N 3.35Å; E98-S101 PolarHBondContact O-N 2.91Å; E98-D102 WeakPolarHBondContact O-CB 3.09Å; E98-D102 PolarHBondContact O-N 3.35Å
99	A	67.4	Low	72.7	Confident	45 Å²	45	79.9 Å²	79.9	37%	0.372	41%	0.408	S	S	.	.	H	α-helix	trans	-61.2	-37.2	175.3	0	0	0	0	0	113.1	A95 H103	A95-A99 WeakPolarHBondContact O-CB 3.48Å; A95-A99 PolarHBondContact O-N 3.26Å; A99-H103 PolarHBondContact O-N 3.14Å; A99-H103 VanDerWaalsContact O-N 3.07Å; A99-H103 PolarHBondContact O-ND1 3.07Å
100	F	69.6	Low	73.4	Confident	10 Å²	10	74.9 Å²	74.9	4%	0.044	39%	0.39	C	S	.	.	H	α-helix	trans	-61.8	-50.4	173.6	177.1	-89.3	0	0	0	111.1	R96 E98 D102 H103 S104 F169 H173 I194 L197	R96-F100 WeakPolarHBondContact O-CB 3.44Å; R96-F100 PolarHBondContact O-N 3.4Å; E98-F100 VanDerWaalsContact C-N 3.32Å; E98-F100 PolarHBondContact O-N 3.35Å; F100-D102 VanDerWaalsContact C-N 3.31Å; F100-D102 PolarHBondContact O-N 2.77Å; F100-H103 PolarHBondContact O-N 2.96Å; F100-S104 WeakPolarHBondContact O-CB 3.49Å; F100-S104 PolarHBondContact O-N 3.07Å; F100-S104 PolarHBondContact O-OG 2.86Å; F100-S104 VanDerWaalsContact O-OG 3.12Å; F100-F169 HydrophobicContact CD2-CE2 4.04Å; F100-F169 AromaticContact CD2-CZ 4Å; F100-F169 HydrophobicContact CD2-CZ 4Å; F100-F169 HydrophobicContact CE2-CE1 4.3Å; F100-F169 AromaticContact CE2-CE2 3.93Å; F100-F169 HydrophobicContact CE2-CE2 3.93Å; F100-F169 AromaticContact CE2-CZ 3.4Å; F100-F169 HydrophobicContact CE2-CZ 3.4Å; F100-F169 VanDerWaalsContact CE2-CZ 3.4Å; F100-F169 AromaticContact CZ-CZ 3.75Å; F100-F169 HydrophobicContact CZ-CZ 3.75Å; F100-H173 AromaticContact CD2-CD2 3.41Å; F100-H173 VanDerWaalsContact CD2-CD2 3.41Å; F100-H173 WeakPolarHBondContact CD2-CD2 3.29Å; F100-H173 AromaticContact CD2-CG 3.89Å; F100-H173 AromaticContact CD2-NE2 3.57Å; F100-H173 HydrophobicContact CE2-CB 4.32Å; F100-H173 AromaticContact CE2-CD2 3.65Å; F100-H173 AromaticContact CE2-CG 3.95Å; F100-I194 HydrophobicContact CD1-CG1 3.97Å; F100-I194 HydrophobicContact CD2-CG1 4.18Å; F100-I194 HydrophobicContact CD2-CG2 4.23Å; F100-I194 HydrophobicContact CE1-CB 4.37Å; F100-I194 HydrophobicContact CE1-CG1 3.97Å; F100-I194 HydrophobicContact CE2-CB 4.24Å; F100-I194 HydrophobicContact CE2-CG1 4.18Å; F100-I194 HydrophobicContact CE2-CG2 3.71Å; F100-I194 HydrophobicContact CG-CG1 4.09Å; F100-I194 HydrophobicContact CZ-CB 4.07Å; F100-I194 HydrophobicContact CZ-CG1 4.08Å; F100-I194 HydrophobicContact CZ-CG2 3.97Å; F100-I194 WeakPolarHBondContact CZ-O 3.28Å; F100-L197 HydrophobicContact CE1-CB 3.81Å; F100-L197 HydrophobicContact CE1-CD2 4.39Å; F100-L197 HydrophobicContact CE1-CG 4.46Å; F100-L197 HydrophobicContact CZ-CB 3.73Å
101	S	68.9	Low	74.2	Confident	70 Å²	70	72.3 Å²	72.3	49%	0.49	37%	0.371	S	S	.	.	H	α-helix	trans	-59.6	-41.7	179.4	-170.1	0	0	0	0	112	L97 E98 S104 G105	L97-S101 VanDerWaalsContact O-CB 3.29Å; L97-S101 WeakPolarHBondContact O-CB 3.47Å; L97-S101 PolarHBondContact O-N 3.41Å; E98-S101 PolarHBondContact O-N 2.91Å; S101-S104 PolarHBondContact O-OG 3.15Å; S101-G105 PolarHBondContact O-N 3.3Å
102	D	72	Confident	75	Confident	94 Å²	94	70 Å²	70	50%	0.503	36%	0.361	S	S	.	.	H	α-helix	trans	-67.1	-38.3	178.3	-81.3	2.1	0	0	0	112.6	E98 F100 K106	E98-D102 WeakPolarHBondContact O-CB 3.09Å; E98-D102 PolarHBondContact O-N 3.35Å; F100-D102 VanDerWaalsContact C-N 3.31Å; F100-D102 PolarHBondContact O-N 2.77Å; D102-K106 WeakPolarHBondContact O-CB 3.35Å; D102-K106 WeakPolarHBondContact O-CD 3.5Å; D102-K106 WeakPolarHBondContact O-CE 3.42Å; D102-K106 WeakPolarHBondContact O-CG 3.42Å; D102-K106 PolarHBondContact O-N 2.94Å
103	H	70.5	Confident	76.1	Confident	108 Å²	108	70 Å²	70	50%	0.5	36%	0.358	S	S	.	.	H	α-helix	trans	-77.5	-41.1	177.5	-72.8	87.8	0	0	0	112	A99 F100 K106 L107 F169	A99-H103 PolarHBondContact O-N 3.14Å; A99-H103 VanDerWaalsContact O-N 3.07Å; A99-H103 PolarHBondContact O-ND1 3.07Å; F100-H103 PolarHBondContact O-N 2.96Å; H103-K106 PolarHBondContact O-N 3.43Å; H103-L107 WeakPolarHBondContact O-CB 3.48Å; H103-L107 PolarHBondContact O-N 3.48Å; H103-F169 HydrophobicContact CB-CD2 3.94Å; H103-F169 HydrophobicContact CB-CE2 4.13Å
104	S	69.8	Low	77.3	Confident	3 Å²	3	65.5 Å²	65.5	2%	0.021	33%	0.334	C	S	.	.	H	α-helix	trans	-64.2	-44.5	176.9	64.5	0	0	0	0	111.4	F100 S101 K106 L107 Q108 L197	F100-S104 WeakPolarHBondContact O-CB 3.49Å; F100-S104 PolarHBondContact O-N 3.07Å; F100-S104 PolarHBondContact O-OG 2.86Å; F100-S104 VanDerWaalsContact O-OG 3.12Å; S101-S104 PolarHBondContact O-OG 3.15Å; S104-K106 VanDerWaalsContact C-N 3.32Å; S104-K106 PolarHBondContact O-N 3.46Å; S104-L107 PolarHBondContact O-N 3.4Å; S104-L107 VanDerWaalsContact O-N 3.09Å; S104-Q108 WeakPolarHBondContact O-CG 3.34Å; S104-Q108 PolarHBondContact O-N 3.42Å; S104-L197 WeakPolarHBondContact OG-CD2 3.35Å
105	G	71.4	Confident	78.4	Confident	31 Å²	31	60.2 Å²	60.2	32%	0.32	32%	0.316	S	S	.	.	H	α-helix	trans	-64	-34.4	178.9	0	0	0	0	0	113.5	S101 L107	S101-G105 PolarHBondContact O-N 3.3Å; G105-L107 VanDerWaalsContact C-N 3.28Å; G105-L107 PolarHBondContact O-N 3.01Å
106	K	78.4	Confident	79.6	Confident	137 Å²	137	62.4 Å²	62.4	60%	0.596	32%	0.321	S	S	*	.	H	α-helix	trans	-71.2	-20.5	173.9	-73.8	167.2	-163.6	161	0	113.7	D102 H103 S104 P110	D102-K106 WeakPolarHBondContact O-CB 3.35Å; D102-K106 WeakPolarHBondContact O-CD 3.5Å; D102-K106 WeakPolarHBondContact O-CE 3.42Å; D102-K106 WeakPolarHBondContact O-CG 3.42Å; D102-K106 PolarHBondContact O-N 2.94Å; H103-K106 PolarHBondContact O-N 3.43Å; S104-K106 VanDerWaalsContact C-N 3.32Å; S104-K106 PolarHBondContact O-N 3.46Å; K106-P110 WeakPolarHBondContact O-CD 3.23Å; K106-P110 WeakPolarHBondContact O-CG 3.46Å
107	L	82.4	Confident	80.8	Confident	13 Å²	13	57 Å²	57	7%	0.068	30%	0.301	C	S	.	.	H	α-helix	trans	-100.2	-30.8	-175.2	-171.7	72	0	0	0	112.9	H103 S104 G105 L109 P110 L111 V162 A166 F169 V201	H103-L107 WeakPolarHBondContact O-CB 3.48Å; H103-L107 PolarHBondContact O-N 3.48Å; S104-L107 PolarHBondContact O-N 3.4Å; S104-L107 VanDerWaalsContact O-N 3.09Å; G105-L107 VanDerWaalsContact C-N 3.28Å; G105-L107 PolarHBondContact O-N 3.01Å; L107-L109 VanDerWaalsContact C-N 3.35Å; L107-L109 PolarHBondContact O-N 3.31Å; L107-P110 WeakPolarHBondContact O-CD 3.04Å; L107-L111 HydrophobicContact CD2-CD1 4.29Å; L107-L111 HydrophobicContact CG-CD1 3.91Å; L107-L111 HydrophobicContact CG-CG 4.38Å; L107-L111 WeakPolarHBondContact O-CB 3.33Å; L107-L111 WeakPolarHBondContact O-CG 3.41Å; L107-L111 PolarHBondContact O-N 3.17Å; L107-L111 VanDerWaalsContact O-N 3.17Å; L107-V162 HydrophobicContact CD1-CG1 4.31Å; L107-A166 HydrophobicContact CD1-CB 4.19Å; L107-A166 HydrophobicContact CD2-CB 3.87Å; L107-A166 HydrophobicContact CG-CB 4.44Å; L107-F169 HydrophobicContact CD2-CB 4.05Å; L107-F169 HydrophobicContact CD2-CD1 4.18Å; L107-F169 HydrophobicContact CD2-CG 4.14Å; L107-V201 HydrophobicContact CD2-CB 4.48Å; L107-V201 HydrophobicContact CD2-CG1 3.43Å; L107-V201 VanDerWaalsContact CD2-CG1 3.43Å; L107-V201 HydrophobicContact CD2-CG2 4.17Å
108	Q	82.2	Confident	82.2	Confident	64 Å²	64	54.6 Å²	54.6	30%	0.299	29%	0.288	S	S	.	.	H	α-helix	trans	-60.8	-40.3	178.2	-76	178.6	-58.8	0	0	112.9	S104 Q112 F200	S104-Q108 WeakPolarHBondContact O-CG 3.34Å; S104-Q108 PolarHBondContact O-N 3.42Å; Q108-Q112 PolarHBondContact O-N 2.92Å; Q108-F200 HydrophobicContact CG-CD1 4.19Å; Q108-F200 HydrophobicContact CG-CE1 3.96Å
109	L	86.5	Confident	83.2	Confident	135 Å²	135	52 Å²	52	71%	0.707	28%	0.281	S	S	*	.	H	α-helix	trans	-69.1	-50.1	-179.2	-71.4	167.6	0	0	0	112.6	L107 L111 Q112 E113	L107-L109 VanDerWaalsContact C-N 3.35Å; L107-L109 PolarHBondContact O-N 3.31Å; L109-L111 VanDerWaalsContact C-N 3.35Å; L109-L111 PolarHBondContact O-N 3.4Å; L109-Q112 PolarHBondContact O-N 2.89Å; L109-E113 WeakPolarHBondContact O-CB 3.31Å; L109-E113 PolarHBondContact O-N 2.75Å
110	P	89.6	Confident	84.5	Confident	29 Å²	29	55.4 Å²	55.4	19%	0.188	29%	0.289	C	S	.	.	H	α-helix	trans	-61.3	-34.9	174.7	-28	37.1	0	0	0	114.9	K106 L107 I114 V162	K106-P110 WeakPolarHBondContact O-CD 3.23Å; K106-P110 WeakPolarHBondContact O-CG 3.46Å; L107-P110 WeakPolarHBondContact O-CD 3.04Å; P110-I114 WeakPolarHBondContact O-CB 3.28Å; P110-I114 VanDerWaalsContact O-CG1 3.29Å; P110-I114 WeakPolarHBondContact O-CG1 3.06Å; P110-I114 PolarHBondContact O-N 2.98Å; P110-V162 HydrophobicContact CB-CG1 3.77Å; P110-V162 HydrophobicContact CB-CG2 3.86Å
111	L	89.5	Confident	85.6	Confident	1 Å²	1	55.3 Å²	55.3	1%	0.005	29%	0.289	C	S	.	.	H	α-helix	trans	-65.7	-43.3	176.2	-77.3	172.4	0	0	0	111.7	L107 L109 I114 I115 V162 L163 A166 V201 Q204 A205 A208	L107-L111 HydrophobicContact CD2-CD1 4.29Å; L107-L111 HydrophobicContact CG-CD1 3.91Å; L107-L111 HydrophobicContact CG-CG 4.38Å; L107-L111 WeakPolarHBondContact O-CB 3.33Å; L107-L111 WeakPolarHBondContact O-CG 3.41Å; L107-L111 PolarHBondContact O-N 3.17Å; L107-L111 VanDerWaalsContact O-N 3.17Å; L109-L111 VanDerWaalsContact C-N 3.35Å; L109-L111 PolarHBondContact O-N 3.4Å; L111-I114 PolarHBondContact O-N 2.73Å; L111-I115 WeakPolarHBondContact O-CG1 3.3Å; L111-I115 PolarHBondContact O-N 2.98Å; L111-V162 HydrophobicContact CD2-CG1 3.92Å; L111-V162 HydrophobicContact CG-CG1 4.09Å; L111-L163 HydrophobicContact CD2-CD2 4.44Å; L111-A166 HydrophobicContact CD1-CB 4.46Å; L111-V201 HydrophobicContact CD1-CG1 4.17Å; L111-Q204 HydrophobicContact CB-CB 4.31Å; L111-Q204 HydrophobicContact CD1-CB 4.13Å; L111-A205 HydrophobicContact CD2-CB 4.23Å; L111-A208 HydrophobicContact CD2-CB 4.47Å
112	Q	91.3	Very high	86.7	Confident	70 Å²	70	53 Å²	53	33%	0.327	27%	0.271	S	S	.	.	H	α-helix	trans	-67.1	-43.2	175.4	-168.3	66.8	60.2	0	0	111.4	Q108 L109 I114 I115 D116	Q108-Q112 PolarHBondContact O-N 2.92Å; L109-Q112 PolarHBondContact O-N 2.89Å; Q112-I114 VanDerWaalsContact C-N 3.26Å; Q112-I114 PolarHBondContact O-N 2.94Å; Q112-I115 PolarHBondContact O-N 2.69Å; Q112-I115 VanDerWaalsContact O-N 3.15Å; Q112-D116 PolarHBondContact NE2-OD1 3.32Å; Q112-D116 WeakPolarHBondContact O-CB 3.42Å; Q112-D116 PolarHBondContact O-N 3.11Å
113	E	93.4	Very high	87.7	Confident	92 Å²	92	55.3 Å²	55.3	43%	0.43	28%	0.279	S	S	.	.	H	α-helix	trans	-56.1	-40.5	175.1	-175.3	-171.8	140.5	0	0	111.9	L109 W117 R155	L109-E113 WeakPolarHBondContact O-CB 3.31Å; L109-E113 PolarHBondContact O-N 2.75Å; E113-W117 VanDerWaalsContact O-CB 3.24Å; E113-W117 WeakPolarHBondContact O-CB 3.48Å; E113-W117 PolarHBondContact O-N 3.43Å; E113-W117 VanDerWaalsContact O-N 3.07Å; E113-R155 IonicContact OE1-CZ 2.89Å; E113-R155 IonicContact OE1-NH1 3.24Å; E113-R155 IonicContact OE1-NH2 2.69Å; E113-R155 PolarHBondContact OE1-NH2 3.1Å
114	I	93.8	Very high	88.7	Confident	1 Å²	1	53.6 Å²	53.6	1%	0.005	27%	0.271	C	S	.	.	H	α-helix	trans	-68.6	-45.9	176.2	-73.9	167.8	0	0	0	111.2	P110 L111 Q112 W117 L118 Y158 I159 V162 A208	P110-I114 WeakPolarHBondContact O-CB 3.28Å; P110-I114 VanDerWaalsContact O-CG1 3.29Å; P110-I114 WeakPolarHBondContact O-CG1 3.06Å; P110-I114 PolarHBondContact O-N 2.98Å; L111-I114 PolarHBondContact O-N 2.73Å; Q112-I114 VanDerWaalsContact C-N 3.26Å; Q112-I114 PolarHBondContact O-N 2.94Å; I114-W117 PolarHBondContact O-N 2.85Å; I114-L118 HydrophobicContact CG2-CD1 3.52Å; I114-L118 HydrophobicContact CG2-CG 4.09Å; I114-L118 VanDerWaalsContact O-CB 3.3Å; I114-L118 WeakPolarHBondContact O-CB 3.22Å; I114-L118 WeakPolarHBondContact O-CG 3.42Å; I114-L118 PolarHBondContact O-N 2.99Å; I114-Y158 HydrophobicContact CD1-CD1 4.29Å; I114-Y158 HydrophobicContact CD1-CE1 3.97Å; I114-Y158 HydrophobicContact CG1-CD1 4.34Å; I114-Y158 HydrophobicContact CG1-CE1 3.91Å; I114-I159 HydrophobicContact CD1-CB 4.42Å; I114-I159 HydrophobicContact CD1-CG1 4.17Å; I114-I159 HydrophobicContact CG1-CG1 4.14Å; I114-I159 HydrophobicContact CG2-CG1 4.14Å; I114-I159 HydrophobicContact CG2-CG2 4.21Å; I114-V162 HydrophobicContact CD1-CB 3.54Å; I114-V162 HydrophobicContact CD1-CG1 3.76Å; I114-V162 HydrophobicContact CD1-CG2 3.75Å; I114-A208 HydrophobicContact CG2-CB 4.09Å
115	I	93.3	Very high	89.7	Confident	16 Å²	16	53.6 Å²	53.6	8%	0.082	27%	0.271	C	S	.	.	H	α-helix	trans	-61.9	-46.4	179	-74.3	161.4	0	0	0	110.9	L111 Q112 W117 L118 S119 Q204 V207 A208 L211	L111-I115 WeakPolarHBondContact O-CG1 3.3Å; L111-I115 PolarHBondContact O-N 2.98Å; Q112-I115 PolarHBondContact O-N 2.69Å; Q112-I115 VanDerWaalsContact O-N 3.15Å; I115-W117 PolarHBondContact O-N 3.4Å; I115-L118 PolarHBondContact O-N 3.08Å; I115-S119 WeakPolarHBondContact O-CB 3.28Å; I115-S119 PolarHBondContact O-N 3.32Å; I115-S119 PolarHBondContact O-OG 2.98Å; I115-S119 VanDerWaalsContact O-OG 3.09Å; I115-Q204 HydrophobicContact CD1-CB 4.29Å; I115-V207 HydrophobicContact CD1-CB 4.39Å; I115-V207 HydrophobicContact CD1-CG1 4.13Å; I115-V207 HydrophobicContact CG1-CG1 4.27Å; I115-A208 HydrophobicContact CD1-CB 4.29Å; I115-A208 HydrophobicContact CG1-CB 3.9Å; I115-L211 HydrophobicContact CG1-CD1 4.43Å; I115-L211 HydrophobicContact CG2-CD1 4.09Å
116	D	93.6	Very high	90.5	Very high	90 Å²	90	54.7 Å²	54.7	48%	0.481	27%	0.274	S	S	.	.	H	α-helix	trans	-61.4	-44.5	179.3	-63.3	-13.3	0	0	0	111	Q112 S119 Q120	Q112-D116 PolarHBondContact NE2-OD1 3.32Å; Q112-D116 WeakPolarHBondContact O-CB 3.42Å; Q112-D116 PolarHBondContact O-N 3.11Å; D116-S119 PolarHBondContact O-N 2.68Å; D116-Q120 WeakPolarHBondContact O-CB 3.46Å; D116-Q120 PolarHBondContact O-N 3.4Å
117	W	95.4	Very high	90.9	Very high	36 Å²	36	52.1 Å²	52.1	14%	0.136	28%	0.278	C	S	.	.	H	α-helix	trans	-67.7	-38.9	177	-179.6	85.8	0	0	0	113	E113 I114 I115 Q120 K121 V152 R155 I159	E113-W117 VanDerWaalsContact O-CB 3.24Å; E113-W117 WeakPolarHBondContact O-CB 3.48Å; E113-W117 PolarHBondContact O-N 3.43Å; E113-W117 VanDerWaalsContact O-N 3.07Å; I114-W117 PolarHBondContact O-N 2.85Å; I115-W117 PolarHBondContact O-N 3.4Å; W117-Q120 PolarHBondContact O-N 2.93Å; W117-K121 HydrophobicContact CD2-CG 4.2Å; W117-K121 HydrophobicContact CH2-CG 4.19Å; W117-K121 HydrophobicContact CZ2-CD 4.43Å; W117-K121 HydrophobicContact CZ2-CG 3.81Å; W117-K121 WeakPolarHBondContact O-CB 3.44Å; W117-K121 WeakPolarHBondContact O-CG 3.5Å; W117-K121 PolarHBondContact O-N 2.97Å; W117-V152 HydrophobicContact CH2-CG1 4.44Å; W117-V152 HydrophobicContact CH2-CG2 4.37Å; W117-R155 HydrophobicContact CD2-CG 4.27Å; W117-R155 HydrophobicContact CE3-CG 4.16Å; W117-R155 HydrophobicContact CH2-CB 3.55Å; W117-R155 HydrophobicContact CH2-CG 3.68Å; W117-R155 HydrophobicContact CZ2-CB 3.78Å; W117-R155 HydrophobicContact CZ2-CG 3.77Å; W117-R155 HydrophobicContact CZ3-CB 4.15Å; W117-R155 HydrophobicContact CZ3-CG 3.88Å; W117-I159 HydrophobicContact CE3-CD1 4.21Å; W117-I159 HydrophobicContact CZ3-CD1 3.72Å
118	L	94.7	Very high	90.8	Very high	1 Å²	1	53.8 Å²	53.8	1%	0.005	29%	0.285	C	S	.	.	H	α-helix	trans	-65.9	-42.1	175.7	-73.5	171.3	0	0	0	111.4	I114 I115 K121 D122 I159 A208 L211 W212 L215	I114-L118 HydrophobicContact CG2-CD1 3.52Å; I114-L118 HydrophobicContact CG2-CG 4.09Å; I114-L118 VanDerWaalsContact O-CB 3.3Å; I114-L118 WeakPolarHBondContact O-CB 3.22Å; I114-L118 WeakPolarHBondContact O-CG 3.42Å; I114-L118 PolarHBondContact O-N 2.99Å; I115-L118 PolarHBondContact O-N 3.08Å; L118-K121 PolarHBondContact O-N 2.99Å; L118-D122 WeakPolarHBondContact O-CB 3.4Å; L118-D122 PolarHBondContact O-N 2.89Å; L118-I159 HydrophobicContact CD2-CD1 4.26Å; L118-A208 WeakPolarHBondContact CD1-O 3.33Å; L118-L211 HydrophobicContact CB-CB 4.03Å; L118-L211 HydrophobicContact CB-CD1 4.4Å; L118-L211 HydrophobicContact CD1-CB 3.78Å; L118-L211 HydrophobicContact CG-CB 4.47Å; L118-W212 HydrophobicContact CD1-CB 4.18Å; L118-W212 HydrophobicContact CD2-CB 4.31Å; L118-W212 HydrophobicContact CD2-CE3 3.83Å; L118-L215 HydrophobicContact CD2-CD2 3.71Å
119	S	93.1	Very high	90.6	Very high	47 Å²	47	54.5 Å²	54.5	33%	0.329	29%	0.291	S	S	.	.	H	α-helix	trans	-61.6	-46.9	173.6	-64.1	0	0	0	0	111.3	I115 D116 K121 D122 E123	I115-S119 WeakPolarHBondContact O-CB 3.28Å; I115-S119 PolarHBondContact O-N 3.32Å; I115-S119 PolarHBondContact O-OG 2.98Å; I115-S119 VanDerWaalsContact O-OG 3.09Å; D116-S119 PolarHBondContact O-N 2.68Å; S119-K121 VanDerWaalsContact C-N 3.31Å; S119-K121 PolarHBondContact O-N 3.49Å; S119-D122 PolarHBondContact O-N 3.04Å; S119-E123 PolarHBondContact O-N 3.38Å
120	Q	94.9	Very high	90.2	Very high	115 Å²	115	52.7 Å²	52.7	54%	0.537	29%	0.287	S	S	.	.	H	α-helix	trans	-58.3	-40.6	175.5	-174.5	-177	-2.9	0	0	112.3	D116 W117 E123 E124	D116-Q120 WeakPolarHBondContact O-CB 3.46Å; D116-Q120 PolarHBondContact O-N 3.4Å; W117-Q120 PolarHBondContact O-N 2.93Å; Q120-E123 PolarHBondContact O-N 2.87Å; Q120-E124 WeakPolarHBondContact O-CB 3.35Å; Q120-E124 PolarHBondContact O-N 3.42Å
121	K	93.5	Very high	89.9	Confident	9 Å²	9	51.6 Å²	51.6	4%	0.039	28%	0.28	C	S	.	.	H	α-helix	trans	-75.8	-28.4	178.1	-73.6	-70.3	177.8	-173.3	0	113.7	W117 L118 S119 E124 L125 F148 E151 V152 L215	W117-K121 HydrophobicContact CD2-CG 4.2Å; W117-K121 HydrophobicContact CH2-CG 4.19Å; W117-K121 HydrophobicContact CZ2-CD 4.43Å; W117-K121 HydrophobicContact CZ2-CG 3.81Å; W117-K121 WeakPolarHBondContact O-CB 3.44Å; W117-K121 WeakPolarHBondContact O-CG 3.5Å; W117-K121 PolarHBondContact O-N 2.97Å; L118-K121 PolarHBondContact O-N 2.99Å; S119-K121 VanDerWaalsContact C-N 3.31Å; S119-K121 PolarHBondContact O-N 3.49Å; K121-E124 WeakPolarHBondContact CD-OE2 3.45Å; K121-E124 WeakPolarHBondContact CE-OE2 3.41Å; K121-E124 IonicContact NZ-OE1 3.7Å; K121-E124 PolarHBondContact NZ-OE1 3.24Å; K121-E124 IonicContact NZ-OE2 2.75Å; K121-E124 PolarHBondContact NZ-OE2 3.12Å; K121-L125 VanDerWaalsContact O-CB 3.24Å; K121-L125 WeakPolarHBondContact O-CB 3.1Å; K121-L125 PolarHBondContact O-N 3.43Å; K121-F148 HydrophobicContact CB-CZ 4.35Å; K121-F148 HydrophobicContact CD-CD2 4.38Å; K121-F148 HydrophobicContact CD-CE2 3.47Å; K121-F148 VanDerWaalsContact CD-CE2 3.47Å; K121-F148 HydrophobicContact CD-CZ 3.91Å; K121-E151 WeakPolarHBondContact CE-OE1 3.49Å; K121-E151 IonicContact NZ-OE1 2.73Å; K121-E151 PolarHBondContact NZ-OE1 3.3Å; K121-E151 IonicContact NZ-OE2 2.7Å; K121-E151 PolarHBondContact NZ-OE2 3.35Å; K121-V152 HydrophobicContact CD-CG2 4.48Å; K121-L215 HydrophobicContact CB-CD1 4.33Å; K121-L215 HydrophobicContact CB-CD2 3.78Å
122	D	91.9	Very high	89.4	Confident	22 Å²	22	56.5 Å²	56.5	12%	0.118	30%	0.303	C	S	.	.	H	α-helix	trans	-70.7	-31.7	171.4	-162.8	58.6	0	0	0	111.5	L118 S119 S126 K214 L215 R218	L118-D122 WeakPolarHBondContact O-CB 3.4Å; L118-D122 PolarHBondContact O-N 2.89Å; S119-D122 PolarHBondContact O-N 3.04Å; D122-S126 WeakPolarHBondContact O-CB 3.26Å; D122-S126 PolarHBondContact O-N 3.02Å; D122-S126 PolarHBondContact O-OG 2.82Å; D122-K214 IonicContact OD1-NZ 3.42Å; D122-K214 IonicContact OD2-NZ 2.76Å; D122-K214 PolarHBondContact OD2-NZ 2.92Å; D122-L215 HydrophobicContact CB-CD1 4.32Å; D122-R218 PolarHBondContact O-NH1 3.26Å; D122-R218 WeakPolarHBondContact OD1-CD 3.22Å; D122-R218 IonicContact OD1-CZ 2.98Å; D122-R218 IonicContact OD1-NE 3.24Å; D122-R218 IonicContact OD1-NH1 2.98Å; D122-R218 PolarHBondContact OD1-NH1 3.23Å; D122-R218 IonicContact OD2-NH1 2.73Å; D122-R218 PolarHBondContact OD2-NH1 2.88Å
123	E	92.4	Very high	89	Confident	141 Å²	141	53.4 Å²	53.4	66%	0.659	29%	0.289	S	S	*	.	H	α-helix	trans	-69.9	-49.1	168.1	-72	-179.4	178.8	0	0	112.1	S119 Q120 L125 S126 A127	S119-E123 PolarHBondContact O-N 3.38Å; Q120-E123 PolarHBondContact O-N 2.87Å; E123-L125 VanDerWaalsContact C-N 3.31Å; E123-L125 PolarHBondContact O-N 3.38Å; E123-S126 CarbonylContact O-C 3.58Å; E123-S126 WeakPolarHBondContact O-CA 3.48Å; E123-S126 WeakPolarHBondContact O-CB 3.34Å; E123-S126 PolarHBondContact O-N 2.94Å; E123-A127 PolarHBondContact O-N 3.37Å
124	E	91.8	Very high	88.7	Confident	73 Å²	73	51.1 Å²	51.1	34%	0.341	28%	0.28	S	S	.	.	H	α-helix	trans	-59.1	-40.9	178.7	-169.2	-177.3	140.1	0	0	111.9	Q120 K121 S126 A127 F148	Q120-E124 WeakPolarHBondContact O-CB 3.35Å; Q120-E124 PolarHBondContact O-N 3.42Å; K121-E124 WeakPolarHBondContact CD-OE2 3.45Å; K121-E124 WeakPolarHBondContact CE-OE2 3.41Å; K121-E124 IonicContact NZ-OE1 3.7Å; K121-E124 PolarHBondContact NZ-OE1 3.24Å; K121-E124 IonicContact NZ-OE2 2.75Å; K121-E124 PolarHBondContact NZ-OE2 3.12Å; E124-S126 VanDerWaalsContact C-N 3.3Å; E124-S126 PolarHBondContact O-N 3.47Å; E124-A127 PolarHBondContact O-N 2.91Å; E124-F148 HydrophobicContact CB-CE2 4.13Å; E124-F148 HydrophobicContact CG-CD2 4.49Å; E124-F148 HydrophobicContact CG-CE2 3.93Å; E124-F148 VanDerWaalsContact OE1-CD2 3.28Å; E124-F148 WeakPolarHBondContact OE1-CD2 3.43Å; E124-F148 WeakPolarHBondContact OE1-CE2 3.41Å
125	L	90.5	Very high	88.6	Confident	2 Å²	2	52.3 Å²	52.3	1%	0.01	29%	0.287	C	S	.	.	H	α-helix	trans	-65.9	-31.3	172.8	180	58.4	0	0	0	112.8	K121 E123 A127 Q128 F148 L215 R218 Q222	K121-L125 VanDerWaalsContact O-CB 3.24Å; K121-L125 WeakPolarHBondContact O-CB 3.1Å; K121-L125 PolarHBondContact O-N 3.43Å; E123-L125 VanDerWaalsContact C-N 3.31Å; E123-L125 PolarHBondContact O-N 3.38Å; L125-A127 VanDerWaalsContact C-N 3.32Å; L125-Q128 PolarHBondContact O-N 3.29Å; L125-F148 HydrophobicContact CB-CE1 4.1Å; L125-F148 HydrophobicContact CB-CZ 3.91Å; L125-F148 HydrophobicContact CD1-CE1 4.07Å; L125-F148 HydrophobicContact CG-CE1 4.47Å; L125-L215 HydrophobicContact CD2-CD1 3.89Å; L125-R218 HydrophobicContact CD2-CB 3.55Å; L125-Q222 HydrophobicContact CD1-CB 4.19Å; L125-Q222 HydrophobicContact CD1-CG 4.05Å
126	S	88.1	Confident	88.4	Confident	55 Å²	55	54.7 Å²	54.7	39%	0.385	31%	0.309	S	S	.	.	H	α-helix	trans	-75.7	-22.2	176.6	-54.5	0	0	0	0	112.7	D122 E123 E124 Q128 R218	D122-S126 WeakPolarHBondContact O-CB 3.26Å; D122-S126 PolarHBondContact O-N 3.02Å; D122-S126 PolarHBondContact O-OG 2.82Å; E123-S126 CarbonylContact O-C 3.58Å; E123-S126 WeakPolarHBondContact O-CA 3.48Å; E123-S126 WeakPolarHBondContact O-CB 3.34Å; E123-S126 PolarHBondContact O-N 2.94Å; E124-S126 VanDerWaalsContact C-N 3.3Å; E124-S126 PolarHBondContact O-N 3.47Å; S126-Q128 VanDerWaalsContact C-N 3.31Å; S126-R218 PolarHBondContact OG-NH1 2.84Å; S126-R218 PolarHBondContact OG-NH2 2.76Å
127	A	87.3	Confident	88.2	Confident	83 Å²	83	53.4 Å²	53.4	69%	0.686	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.2	-5.8	174.5	0	0	0	0	0	113.9	E123 E124 L125 L129	E123-A127 PolarHBondContact O-N 3.37Å; E124-A127 PolarHBondContact O-N 2.91Å; L125-A127 VanDerWaalsContact C-N 3.32Å; A127-L129 PolarHBondContact O-N 3.43Å
128	Q	80.6	Confident	88	Confident	48 Å²	48	51.7 Å²	51.7	22%	0.224	30%	0.295	C	S	.	.	S	Bend	trans	-86.2	25.3	175.3	-64.3	171.2	19.8	0	0	112.8	L125 S126 H145 Q222	L125-Q128 PolarHBondContact O-N 3.29Å; S126-Q128 VanDerWaalsContact C-N 3.31Å; Q128-H145 PolarHBondContact OE1-ND1 2.95Å; Q128-Q222 PolarHBondContact O-NE2 3.4Å
129	L	78.4	Confident	87.8	Confident	79 Å²	79	55 Å²	55	41%	0.414	31%	0.311	S	S	.	.			trans	-139.5	150.2	-178.1	-75.4	171.1	0	0	0	110.4	A127 L131 Q222	A127-L129 PolarHBondContact O-N 3.43Å; L129-L131 HydrophobicContact CD2-CD2 4.4Å; L129-L131 HydrophobicContact CD2-CG 4.21Å; L129-Q222 VanDerWaalsContact CD2-NE2 3.34Å
130	P	78.2	Confident	87.7	Confident	96 Å²	96	58.5 Å²	58.5	62%	0.623	32%	0.322	S	S	*	.	S	Bend	cis	-79.4	157.5	-1	33.8	-36.2	0	0	0	113.3
131	L	81.6	Confident	87.5	Confident	7 Å²	7	54.8 Å²	54.8	4%	0.037	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-72.5	145.8	171.5	-53.1	179	0	0	0	110.6	L129 E141 I226 T229 V304	L129-L131 HydrophobicContact CD2-CD2 4.4Å; L129-L131 HydrophobicContact CD2-CG 4.21Å; L131-E141 WeakPolarHBondContact CD2-OE2 3.38Å; L131-I226 HydrophobicContact CD1-CB 4.5Å; L131-I226 HydrophobicContact CD1-CG1 3.8Å; L131-I226 HydrophobicContact CD2-CD1 4.36Å; L131-I226 HydrophobicContact CD2-CG1 3.79Å; L131-I226 HydrophobicContact CG-CG1 4.47Å; L131-T229 HydrophobicContact CD1-CG2 4.29Å; L131-V304 HydrophobicContact CB-CG2 4.22Å
132	Q	80.3	Confident	87.4	Confident	104 Å²	104	56.6 Å²	56.6	49%	0.486	31%	0.313	S	S	.	.	P	Polyproline II helix	trans	-93.9	139.4	-178.2	-64.9	172.9	77.3	0	0	111.2	D134 L137 V138 E141	Q132-D134 PolarHBondContact O-N 2.88Å; Q132-L137 HydrophobicContact CB-CB 4.36Å; Q132-L137 HydrophobicContact CB-CD1 4.21Å; Q132-V138 WeakPolarHBondContact O-CG2 3.46Å; Q132-E141 PolarHBondContact NE2-OE1 3.3Å
133	G	81.7	Confident	87.5	Confident	4 Å²	4	61.3 Å²	61.3	4%	0.041	33%	0.334	C	S	.	.	B	Isolated β-bridge	trans	-78.1	45.3	-177.2	0	0	0	0	0	115.7	H305 S307	G133-H305 WeakPolarHBondContact CA-O 3.24Å; G133-H305 PolarHBondContact N-O 3.47Å; G133-H305 VanDerWaalsContact N-O 3.09Å; G133-S307 PolarHBondContact O-N 3.14Å
134	D	88.4	Confident	87.4	Confident	44 Å²	44	58.3 Å²	58.3	24%	0.235	33%	0.325	C	S	.	.			trans	-128.1	131.3	175.9	-174.4	-83	0	0	0	110.9	Q132 A136 L137 V138	Q132-D134 PolarHBondContact O-N 2.88Å; D134-A136 VanDerWaalsContact C-N 3.33Å; D134-A136 PolarHBondContact O-N 3.05Å; D134-A136 WeakPolarHBondContact OD1-CB 3.46Å; D134-A136 PolarHBondContact OD1-N 3.3Å; D134-L137 HydrophobicContact CB-CB 4.19Å; D134-L137 HydrophobicContact CB-CD1 4.02Å; D134-L137 HydrophobicContact CB-CG 4.03Å; D134-L137 PolarHBondContact O-N 2.97Å; D134-L137 PolarHBondContact OD1-N 2.87Å; D134-V138 WeakPolarHBondContact O-CG2 3.33Å; D134-V138 PolarHBondContact O-N 3.24Å
135	V	90.3	Very high	87.5	Confident	26 Å²	26	54.8 Å²	54.8	16%	0.158	31%	0.309	C	S	.	.	H	α-helix	trans	-61	-38.3	-174.6	170.2	0	0	0	0	112.7	Q139 L230 L233 L234	V135-Q139 WeakPolarHBondContact O-CB 3.38Å; V135-Q139 PolarHBondContact O-N 2.86Å; V135-L230 HydrophobicContact CG1-CD1 4.03Å; V135-L233 HydrophobicContact CG2-CB 3.65Å; V135-L234 HydrophobicContact CG1-CD2 3.72Å; V135-L234 HydrophobicContact CG1-CG 4.27Å; V135-L234 HydrophobicContact CG2-CD2 4.24Å; V135-L234 HydrophobicContact CG2-CG 4.4Å
136	A	89.3	Confident	87.6	Confident	67 Å²	67	56.6 Å²	56.6	55%	0.554	32%	0.324	S	S	*	.	H	α-helix	trans	-71.6	-36.2	-179.7	0	0	0	0	0	111.4	D134 Q140	D134-A136 VanDerWaalsContact C-N 3.33Å; D134-A136 PolarHBondContact O-N 3.05Å; D134-A136 WeakPolarHBondContact OD1-CB 3.46Å; D134-A136 PolarHBondContact OD1-N 3.3Å; A136-Q140 PolarHBondContact O-N 2.61Å
137	L	89.2	Confident	87.9	Confident	62 Å²	62	57 Å²	57	33%	0.325	33%	0.331	S	S	.	.	H	α-helix	trans	-73	-43.7	178	-57.9	-178.2	0	0	0	111.8	Q132 D134 Q139 Q140 E141	Q132-L137 HydrophobicContact CB-CB 4.36Å; Q132-L137 HydrophobicContact CB-CD1 4.21Å; D134-L137 HydrophobicContact CB-CB 4.19Å; D134-L137 HydrophobicContact CB-CD1 4.02Å; D134-L137 HydrophobicContact CB-CG 4.03Å; D134-L137 PolarHBondContact O-N 2.97Å; D134-L137 PolarHBondContact OD1-N 2.87Å; L137-Q139 VanDerWaalsContact C-N 3.31Å; L137-Q139 PolarHBondContact O-N 3.46Å; L137-Q140 WeakPolarHBondContact O-CB 3.46Å; L137-Q140 PolarHBondContact O-N 3.27Å; L137-Q140 VanDerWaalsContact O-N 3.14Å; L137-E141 WeakPolarHBondContact O-CB 3.42Å; L137-E141 WeakPolarHBondContact O-CG 3.32Å; L137-E141 PolarHBondContact O-N 2.88Å
138	V	91.1	Very high	88.2	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-64.9	-35.5	174.5	-179	0	0	0	0	111.6	Q132 D134 E141 K142 I226 T229 L230 L233	Q132-V138 WeakPolarHBondContact O-CG2 3.46Å; D134-V138 WeakPolarHBondContact O-CG2 3.33Å; D134-V138 PolarHBondContact O-N 3.24Å; V138-E141 PolarHBondContact O-N 3.34Å; V138-K142 WeakPolarHBondContact O-CB 3.38Å; V138-K142 PolarHBondContact O-N 2.83Å; V138-I226 HydrophobicContact CG1-CG2 3.93Å; V138-T229 HydrophobicContact CG1-CG2 4.32Å; V138-T229 HydrophobicContact CG2-CG2 4.22Å; V138-L230 HydrophobicContact CB-CD1 4.3Å; V138-L230 HydrophobicContact CG1-CB 3.89Å; V138-L230 HydrophobicContact CG1-CD1 4.26Å; V138-L233 HydrophobicContact CB-CD1 4.41Å; V138-L233 HydrophobicContact CG2-CD1 3.72Å
139	Q	91.8	Very high	88.9	Confident	72 Å²	72	53.1 Å²	53.1	34%	0.336	30%	0.299	S	S	.	.	H	α-helix	trans	-64.2	-40	172.6	177.7	57.8	37.2	0	0	111.6	V135 L137 K142 E143 L230	V135-Q139 WeakPolarHBondContact O-CB 3.38Å; V135-Q139 PolarHBondContact O-N 2.86Å; L137-Q139 VanDerWaalsContact C-N 3.31Å; L137-Q139 PolarHBondContact O-N 3.46Å; Q139-K142 WeakPolarHBondContact O-CB 3.3Å; Q139-K142 PolarHBondContact O-N 3.02Å; Q139-E143 PolarHBondContact NE2-OE1 3.07Å; Q139-E143 WeakPolarHBondContact O-CG 3.15Å; Q139-E143 PolarHBondContact O-N 3.21Å; Q139-E143 VanDerWaalsContact O-N 3.14Å; Q139-L230 HydrophobicContact CB-CD1 4.44Å
140	Q	90.9	Very high	89.6	Confident	119 Å²	119	54.5 Å²	54.5	56%	0.556	30%	0.303	S	S	*	.	H	α-helix	trans	-66.8	-43	173.5	-174.3	177.7	-5.2	0	0	112	A136 L137 K142 E143 T144	A136-Q140 PolarHBondContact O-N 2.61Å; L137-Q140 WeakPolarHBondContact O-CB 3.46Å; L137-Q140 PolarHBondContact O-N 3.27Å; L137-Q140 VanDerWaalsContact O-N 3.14Å; Q140-K142 VanDerWaalsContact C-N 3.31Å; Q140-K142 PolarHBondContact O-N 2.9Å; Q140-E143 PolarHBondContact O-N 3.35Å; Q140-T144 PolarHBondContact O-N 3.09Å; Q140-T144 PolarHBondContact O-OG1 3.47Å
141	E	89.9	Confident	90.3	Very high	38 Å²	38	53.9 Å²	53.9	18%	0.178	29%	0.292	C	S	.	.	H	α-helix	trans	-60.4	-40.9	175.2	-73.1	168.8	177	0	0	110.6	L131 Q132 L137 V138 E143 T144 H145	L131-E141 WeakPolarHBondContact CD2-OE2 3.38Å; Q132-E141 PolarHBondContact NE2-OE1 3.3Å; L137-E141 WeakPolarHBondContact O-CB 3.42Å; L137-E141 WeakPolarHBondContact O-CG 3.32Å; L137-E141 PolarHBondContact O-N 2.88Å; V138-E141 PolarHBondContact O-N 3.34Å; E141-E143 PolarHBondContact O-N 2.88Å; E141-T144 WeakPolarHBondContact CA-OG1 3.46Å; E141-T144 PolarHBondContact O-N 3.31Å; E141-T144 PolarHBondContact O-OG1 3.27Å; E141-H145 VanDerWaalsContact O-CB 3.3Å; E141-H145 WeakPolarHBondContact O-CB 3.24Å; E141-H145 PolarHBondContact O-N 3.01Å
142	K	91.7	Very high	90.8	Very high	47 Å²	47	53.7 Å²	53.7	20%	0.204	29%	0.291	C	S	.	.	H	α-helix	trans	-58.1	-43.4	172.4	-171.7	173.9	-178.7	168.2	0	112.9	V138 Q139 Q140 A146 I226 E227 L230	V138-K142 WeakPolarHBondContact O-CB 3.38Å; V138-K142 PolarHBondContact O-N 2.83Å; Q139-K142 WeakPolarHBondContact O-CB 3.3Å; Q139-K142 PolarHBondContact O-N 3.02Å; Q140-K142 VanDerWaalsContact C-N 3.31Å; Q140-K142 PolarHBondContact O-N 2.9Å; K142-A146 WeakPolarHBondContact O-CB 3.42Å; K142-A146 PolarHBondContact O-N 3.36Å; K142-I226 HydrophobicContact CB-CG2 3.6Å; K142-I226 HydrophobicContact CG-CG2 4.06Å; K142-E227 HydrophobicContact CD-CG 4.49Å; K142-E227 WeakPolarHBondContact CE-OE1 3.43Å; K142-E227 IonicContact NZ-OE1 3.21Å; K142-E227 PolarHBondContact NZ-OE1 2.92Å; K142-L230 HydrophobicContact CD-CD2 3.97Å
143	E	93.2	Very high	91.4	Very high	120 Å²	120	54.3 Å²	54.3	56%	0.561	29%	0.292	S	S	*	.	H	α-helix	trans	-69.1	-41.9	178.6	-73.3	174.5	-154.8	0	0	112.2	Q139 Q140 E141 A146 A147	Q139-E143 PolarHBondContact NE2-OE1 3.07Å; Q139-E143 WeakPolarHBondContact O-CG 3.15Å; Q139-E143 PolarHBondContact O-N 3.21Å; Q139-E143 VanDerWaalsContact O-N 3.14Å; Q140-E143 PolarHBondContact O-N 3.35Å; E141-E143 PolarHBondContact O-N 2.88Å; E143-A146 PolarHBondContact O-N 2.95Å; E143-A147 PolarHBondContact O-N 3.31Å; E143-A147 VanDerWaalsContact O-N 3.14Å
144	T	91.6	Very high	92	Very high	78 Å²	78	58.4 Å²	58.4	48%	0.479	32%	0.32	S	S	.	.	H	α-helix	trans	-66	-41	174.7	60.2	0	0	0	0	112.5	Q140 E141 A147 F148	Q140-T144 PolarHBondContact O-N 3.09Å; Q140-T144 PolarHBondContact O-OG1 3.47Å; E141-T144 WeakPolarHBondContact CA-OG1 3.46Å; E141-T144 PolarHBondContact O-N 3.31Å; E141-T144 PolarHBondContact O-OG1 3.27Å; T144-A147 WeakPolarHBondContact O-CB 3.49Å; T144-A147 PolarHBondContact O-N 3.32Å; T144-F148 PolarHBondContact O-N 3.45Å
145	H	93.6	Very high	92.2	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-68.1	-35.7	177.6	-171.5	77.7	0	0	0	112.1	Q128 E141 A147 F148 M149 C219 I226	Q128-H145 PolarHBondContact OE1-ND1 2.95Å; E141-H145 VanDerWaalsContact O-CB 3.3Å; E141-H145 WeakPolarHBondContact O-CB 3.24Å; E141-H145 PolarHBondContact O-N 3.01Å; H145-A147 VanDerWaalsContact C-N 3.35Å; H145-A147 PolarHBondContact O-N 3.47Å; H145-F148 PolarHBondContact O-N 3.25Å; H145-M149 WeakPolarHBondContact O-CG 3.38Å; H145-M149 PolarHBondContact O-N 3.13Å; H145-C219 PolarHBondContact NE2-O 2.94Å; H145-I226 HydrophobicContact CB-CD1 3.82Å
146	A	93.5	Very high	92.3	Very high	39 Å²	39	58.4 Å²	58.4	32%	0.322	32%	0.315	S	S	.	.	H	α-helix	trans	-62.4	-40.2	172	0	0	0	0	0	112.2	K142 E143 M149 E150	K142-A146 WeakPolarHBondContact O-CB 3.42Å; K142-A146 PolarHBondContact O-N 3.36Å; E143-A146 PolarHBondContact O-N 2.95Å; A146-M149 PolarHBondContact O-N 2.78Å; A146-E150 PolarHBondContact O-N 3.1Å; A146-E150 VanDerWaalsContact O-N 3.16Å
147	A	93.4	Very high	92.5	Very high	64 Å²	64	59.6 Å²	59.6	53%	0.529	32%	0.317	S	S	.	.	H	α-helix	trans	-64.9	-42.8	173.9	0	0	0	0	0	112.2	E143 T144 H145 M149 E150 E151	E143-A147 PolarHBondContact O-N 3.31Å; E143-A147 VanDerWaalsContact O-N 3.14Å; T144-A147 WeakPolarHBondContact O-CB 3.49Å; T144-A147 PolarHBondContact O-N 3.32Å; H145-A147 VanDerWaalsContact C-N 3.35Å; H145-A147 PolarHBondContact O-N 3.47Å; A147-M149 PolarHBondContact O-N 3.44Å; A147-E150 PolarHBondContact O-N 2.71Å; A147-E151 PolarHBondContact O-N 3.45Å
148	F	94	Very high	92.7	Very high	9 Å²	9	60.1 Å²	60.1	4%	0.039	32%	0.315	C	S	.	.	H	α-helix	trans	-59.3	-43.6	174.1	177.5	-92.9	0	0	0	112.2	K121 E124 L125 T144 H145 E150 E151 V152	K121-F148 HydrophobicContact CB-CZ 4.35Å; K121-F148 HydrophobicContact CD-CD2 4.38Å; K121-F148 HydrophobicContact CD-CE2 3.47Å; K121-F148 VanDerWaalsContact CD-CE2 3.47Å; K121-F148 HydrophobicContact CD-CZ 3.91Å; E124-F148 HydrophobicContact CB-CE2 4.13Å; E124-F148 HydrophobicContact CG-CD2 4.49Å; E124-F148 HydrophobicContact CG-CE2 3.93Å; E124-F148 VanDerWaalsContact OE1-CD2 3.28Å; E124-F148 WeakPolarHBondContact OE1-CD2 3.43Å; E124-F148 WeakPolarHBondContact OE1-CE2 3.41Å; L125-F148 HydrophobicContact CB-CE1 4.1Å; L125-F148 HydrophobicContact CB-CZ 3.91Å; L125-F148 HydrophobicContact CD1-CE1 4.07Å; L125-F148 HydrophobicContact CG-CE1 4.47Å; T144-F148 PolarHBondContact O-N 3.45Å; H145-F148 PolarHBondContact O-N 3.25Å; F148-E150 PolarHBondContact O-N 3.04Å; F148-E151 WeakPolarHBondContact O-CB 3.5Å; F148-E151 PolarHBondContact O-N 2.97Å; F148-V152 HydrophobicContact CD1-CG2 4.22Å; F148-V152 HydrophobicContact CE1-CG2 3.86Å; F148-V152 HydrophobicContact CE2-CG2 4.49Å; F148-V152 HydrophobicContact CZ-CG2 4.01Å; F148-V152 WeakPolarHBondContact O-CG2 3.3Å; F148-V152 PolarHBondContact O-N 3.17Å
149	M	94	Very high	92.7	Very high	41 Å²	41	60.1 Å²	60.1	20%	0.202	32%	0.315	C	S	.	.	H	α-helix	trans	-62.1	-41	176.2	-75.2	-160.4	-64.4	0	0	112.8	H145 A146 A147 V152 K153 C219 H223	H145-M149 WeakPolarHBondContact O-CG 3.38Å; H145-M149 PolarHBondContact O-N 3.13Å; A146-M149 PolarHBondContact O-N 2.78Å; A147-M149 PolarHBondContact O-N 3.44Å; M149-V152 PolarHBondContact O-N 3.43Å; M149-K153 WeakPolarHBondContact O-CB 3.46Å; M149-K153 PolarHBondContact O-N 3.39Å; M149-C219 HydrophobicContact CG-CB 4.09Å; M149-C219 HydrophobicContact SD-CB 4.25Å; M149-H223 HydrophobicContact CE-CB 3.86Å; M149-H223 VanDerWaalsContact CE-CG 3.47Å; M149-H223 HydrophobicContact SD-CB 4Å
150	E	93.7	Very high	92.8	Very high	107 Å²	107	63.3 Å²	63.3	50%	0.5	33%	0.325	S	S	.	.	H	α-helix	trans	-67.4	-34.6	175.1	-70.5	-62.1	135.7	0	0	112.3	A146 A147 F148 K153 S154	A146-E150 PolarHBondContact O-N 3.1Å; A146-E150 VanDerWaalsContact O-N 3.16Å; A147-E150 PolarHBondContact O-N 2.71Å; F148-E150 PolarHBondContact O-N 3.04Å; E150-K153 WeakPolarHBondContact OE1-CD 3.43Å; E150-K153 IonicContact OE1-NZ 2.68Å; E150-K153 PolarHBondContact OE1-NZ 3.39Å; E150-K153 IonicContact OE2-NZ 3.3Å; E150-K153 PolarHBondContact OE2-NZ 2.83Å; E150-S154 WeakPolarHBondContact O-CB 3.37Å; E150-S154 PolarHBondContact O-N 3.2Å
151	E	92.4	Very high	92.9	Very high	83 Å²	83	60.1 Å²	60.1	39%	0.388	32%	0.316	S	S	.	.	H	α-helix	trans	-61	-52.7	171.6	-166.8	-159.4	149.5	0	0	111	K121 A147 F148 K153 S154 R155	K121-E151 WeakPolarHBondContact CE-OE1 3.49Å; K121-E151 IonicContact NZ-OE1 2.73Å; K121-E151 PolarHBondContact NZ-OE1 3.3Å; K121-E151 IonicContact NZ-OE2 2.7Å; K121-E151 PolarHBondContact NZ-OE2 3.35Å; A147-E151 PolarHBondContact O-N 3.45Å; F148-E151 WeakPolarHBondContact O-CB 3.5Å; F148-E151 PolarHBondContact O-N 2.97Å; E151-K153 VanDerWaalsContact C-N 3.34Å; E151-K153 PolarHBondContact O-N 3.21Å; E151-S154 WeakPolarHBondContact O-CB 3.5Å; E151-S154 PolarHBondContact O-N 3.06Å; E151-S154 VanDerWaalsContact O-N 3.1Å; E151-S154 PolarHBondContact O-OG 3.03Å; E151-R155 PolarHBondContact O-N 3.22Å
152	V	93.4	Very high	92.9	Very high	4 Å²	4	58.8 Å²	58.8	2%	0.024	31%	0.31	C	S	.	.	H	α-helix	trans	-59.1	-46	179.9	172.7	0	0	0	0	111.1	W117 K121 F148 M149 S154 R155 G156 W212 L215	W117-V152 HydrophobicContact CH2-CG1 4.44Å; W117-V152 HydrophobicContact CH2-CG2 4.37Å; K121-V152 HydrophobicContact CD-CG2 4.48Å; F148-V152 HydrophobicContact CD1-CG2 4.22Å; F148-V152 HydrophobicContact CE1-CG2 3.86Å; F148-V152 HydrophobicContact CE2-CG2 4.49Å; F148-V152 HydrophobicContact CZ-CG2 4.01Å; F148-V152 WeakPolarHBondContact O-CG2 3.3Å; F148-V152 PolarHBondContact O-N 3.17Å; M149-V152 PolarHBondContact O-N 3.43Å; V152-S154 VanDerWaalsContact C-N 3.31Å; V152-S154 PolarHBondContact O-N 3.31Å; V152-R155 PolarHBondContact O-N 3.32Å; V152-G156 PolarHBondContact O-N 2.92Å; V152-W212 HydrophobicContact CG1-CH2 4.15Å; V152-W212 HydrophobicContact CG1-CZ3 3.67Å; V152-W212 WeakPolarHBondContact O-CH2 3.48Å; V152-L215 HydrophobicContact CG1-CD2 4.2Å
153	K	93.2	Very high	92.8	Very high	116 Å²	116	57.7 Å²	57.7	50%	0.504	31%	0.307	S	S	.	.	H	α-helix	trans	-59.9	-36.4	175.4	177.5	-176	168.1	-150.7	0	112.7	M149 E150 E151 R155 G156 P157	M149-K153 WeakPolarHBondContact O-CB 3.46Å; M149-K153 PolarHBondContact O-N 3.39Å; E150-K153 WeakPolarHBondContact OE1-CD 3.43Å; E150-K153 IonicContact OE1-NZ 2.68Å; E150-K153 PolarHBondContact OE1-NZ 3.39Å; E150-K153 IonicContact OE2-NZ 3.3Å; E150-K153 PolarHBondContact OE2-NZ 2.83Å; E151-K153 VanDerWaalsContact C-N 3.34Å; E151-K153 PolarHBondContact O-N 3.21Å; K153-R155 VanDerWaalsContact C-N 3.3Å; K153-R155 PolarHBondContact O-N 3.2Å; K153-G156 PolarHBondContact O-N 2.82Å; K153-P157 WeakPolarHBondContact O-CD 3.36Å
154	S	93.9	Very high	92.7	Very high	91 Å²	91	58 Å²	58	64%	0.636	31%	0.308	S	S	*	.	H	α-helix	trans	-66.7	-29	177.1	81	0	0	0	0	113.4	E150 E151 V152	E150-S154 WeakPolarHBondContact O-CB 3.37Å; E150-S154 PolarHBondContact O-N 3.2Å; E151-S154 WeakPolarHBondContact O-CB 3.5Å; E151-S154 PolarHBondContact O-N 3.06Å; E151-S154 VanDerWaalsContact O-N 3.1Å; E151-S154 PolarHBondContact O-OG 3.03Å; V152-S154 VanDerWaalsContact C-N 3.31Å; V152-S154 PolarHBondContact O-N 3.31Å
155	R	92.9	Very high	92.5	Very high	67 Å²	67	57.4 Å²	57.4	25%	0.253	31%	0.307	S	S	.	.	H	α-helix	trans	-81.9	-23.2	177.7	-163.5	66.9	159.3	149.5	2.5	112.9	E113 W117 E151 V152 K153 Y158 I159	E113-R155 IonicContact OE1-CZ 2.89Å; E113-R155 IonicContact OE1-NH1 3.24Å; E113-R155 IonicContact OE1-NH2 2.69Å; E113-R155 PolarHBondContact OE1-NH2 3.1Å; W117-R155 HydrophobicContact CD2-CG 4.27Å; W117-R155 HydrophobicContact CE3-CG 4.16Å; W117-R155 HydrophobicContact CH2-CB 3.55Å; W117-R155 HydrophobicContact CH2-CG 3.68Å; W117-R155 HydrophobicContact CZ2-CB 3.78Å; W117-R155 HydrophobicContact CZ2-CG 3.77Å; W117-R155 HydrophobicContact CZ3-CB 4.15Å; W117-R155 HydrophobicContact CZ3-CG 3.88Å; E151-R155 PolarHBondContact O-N 3.22Å; V152-R155 PolarHBondContact O-N 3.32Å; K153-R155 VanDerWaalsContact C-N 3.3Å; K153-R155 PolarHBondContact O-N 3.2Å; R155-Y158 WeakPolarHBondContact O-CB 3.44Å; R155-Y158 PolarHBondContact O-N 3.42Å; R155-I159 HydrophobicContact CB-CD1 4.47Å; R155-I159 HydrophobicContact CG-CD1 4.06Å; R155-I159 HydrophobicContact CG-CG1 4.35Å; R155-I159 PolarHBondContact O-N 3.35Å
156	G	91.6	Very high	92.2	Very high	2 Å²	2	57.4 Å²	57.4	2%	0.021	31%	0.307	C	S	.	.	H	α-helix	trans	-47.6	-49.8	-178.9	0	0	0	0	0	115.7	V152 K153 Y158 I159 Y160	V152-G156 PolarHBondContact O-N 2.92Å; K153-G156 PolarHBondContact O-N 2.82Å; G156-Y158 PolarHBondContact O-N 3.14Å; G156-I159 PolarHBondContact O-N 3.43Å; G156-Y160 WeakPolarHBondContact O-CD2 3.41Å; G156-Y160 PolarHBondContact O-N 3.49Å
157	P	92.9	Very high	91.9	Very high	92 Å²	92	60.7 Å²	60.7	60%	0.597	32%	0.316	S	S	*	.	H	α-helix	trans	-58.5	-32.3	178.3	-26.6	35.8	0	0	0	114.1	K153 S161	K153-P157 WeakPolarHBondContact O-CD 3.36Å; P157-S161 PolarHBondContact O-N 3.4Å; P157-S161 PolarHBondContact O-OG 2.98Å
158	Y	92.9	Very high	91.5	Very high	73 Å²	73	59.6 Å²	59.6	29%	0.286	31%	0.306	S	S	.	.	H	α-helix	trans	-69.6	-46.7	173.8	173.7	-103.3	0	0	0	110.5	I114 R155 G156 Y160 S161 V162	I114-Y158 HydrophobicContact CD1-CD1 4.29Å; I114-Y158 HydrophobicContact CD1-CE1 3.97Å; I114-Y158 HydrophobicContact CG1-CD1 4.34Å; I114-Y158 HydrophobicContact CG1-CE1 3.91Å; R155-Y158 WeakPolarHBondContact O-CB 3.44Å; R155-Y158 PolarHBondContact O-N 3.42Å; G156-Y158 PolarHBondContact O-N 3.14Å; Y158-Y160 PolarHBondContact O-N 2.87Å; Y158-S161 PolarHBondContact O-N 2.9Å; Y158-S161 VanDerWaalsContact O-N 3.13Å; Y158-S161 PolarHBondContact O-OG 3.44Å; Y158-V162 HydrophobicContact CE1-CG2 4.28Å; Y158-V162 HydrophobicContact CE2-CG2 4.12Å; Y158-V162 PolarHBondContact O-N 3.16Å; Y158-V162 VanDerWaalsContact O-N 3.1Å
159	I	92.4	Very high	91.1	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-58	-48.8	178.5	-64.9	166.2	0	0	0	111	I114 W117 L118 R155 G156 S161 V162 L163 W212	I114-I159 HydrophobicContact CD1-CB 4.42Å; I114-I159 HydrophobicContact CD1-CG1 4.17Å; I114-I159 HydrophobicContact CG1-CG1 4.14Å; I114-I159 HydrophobicContact CG2-CG1 4.14Å; I114-I159 HydrophobicContact CG2-CG2 4.21Å; W117-I159 HydrophobicContact CE3-CD1 4.21Å; W117-I159 HydrophobicContact CZ3-CD1 3.72Å; L118-I159 HydrophobicContact CD2-CD1 4.26Å; R155-I159 HydrophobicContact CB-CD1 4.47Å; R155-I159 HydrophobicContact CG-CD1 4.06Å; R155-I159 HydrophobicContact CG-CG1 4.35Å; R155-I159 PolarHBondContact O-N 3.35Å; G156-I159 PolarHBondContact O-N 3.43Å; I159-S161 VanDerWaalsContact C-N 3.33Å; I159-S161 PolarHBondContact O-N 3.43Å; I159-V162 PolarHBondContact O-N 2.96Å; I159-L163 HydrophobicContact CG2-CD1 3.95Å; I159-L163 HydrophobicContact CG2-CG 4.48Å; I159-L163 WeakPolarHBondContact O-CG 3.49Å; I159-L163 PolarHBondContact O-N 2.9Å; I159-W212 HydrophobicContact CD1-CD2 4.15Å; I159-W212 HydrophobicContact CD1-CE3 3.54Å; I159-W212 HydrophobicContact CD1-CH2 4.28Å; I159-W212 HydrophobicContact CD1-CZ3 3.6Å; I159-W212 HydrophobicContact CG2-CB 4.45Å; I159-W212 HydrophobicContact CG2-CD2 4.3Å; I159-W212 HydrophobicContact CG2-CG 4.19Å
160	Y	92.8	Very high	90.5	Very high	139 Å²	139	59 Å²	59	55%	0.545	30%	0.304	S	S	.	.	H	α-helix	trans	-59.2	-40.4	175.9	-70.4	-60.1	0	0	0	112.8	G156 Y158 V162 L163 E164 W212	G156-Y160 WeakPolarHBondContact O-CD2 3.41Å; G156-Y160 PolarHBondContact O-N 3.49Å; Y158-Y160 PolarHBondContact O-N 2.87Å; Y160-V162 PolarHBondContact O-N 3.45Å; Y160-L163 PolarHBondContact O-N 3.23Å; Y160-E164 WeakPolarHBondContact O-CB 3.5Å; Y160-E164 PolarHBondContact O-N 3.47Å; Y160-W212 AromaticContact CE1-NE1 3.78Å; Y160-W212 HydrophobicContact CE2-CZ2 4.19Å; Y160-W212 AromaticContact CE2-NE1 3.93Å; Y160-W212 AromaticContact CZ-NE1 3.32Å; Y160-W212 VanDerWaalsContact CZ-NE1 3.32Å; Y160-W212 PolarHBondContact OH-NE1 3.03Å
161	S	93	Very high	89.9	Confident	52 Å²	52	58 Å²	58	36%	0.364	31%	0.309	S	S	.	.	H	α-helix	trans	-70	-28.8	179.8	65.2	0	0	0	0	113.9	P157 Y158 I159 S165	P157-S161 PolarHBondContact O-N 3.4Å; P157-S161 PolarHBondContact O-OG 2.98Å; Y158-S161 PolarHBondContact O-N 2.9Å; Y158-S161 VanDerWaalsContact O-N 3.13Å; Y158-S161 PolarHBondContact O-OG 3.44Å; I159-S161 VanDerWaalsContact C-N 3.33Å; I159-S161 PolarHBondContact O-N 3.43Å; S161-S165 VanDerWaalsContact O-CB 3.32Å; S161-S165 WeakPolarHBondContact O-CB 3.26Å; S161-S165 PolarHBondContact O-N 3.32Å; S161-S165 PolarHBondContact O-OG 2.66Å
162	V	90.1	Very high	89.2	Confident	10 Å²	10	60.4 Å²	60.4	6%	0.061	32%	0.32	C	S	.	.	H	α-helix	trans	-75.3	-39.7	172	177	0	0	0	0	111.4	L107 P110 L111 I114 Y158 I159 Y160 S165 A166	L107-V162 HydrophobicContact CD1-CG1 4.31Å; P110-V162 HydrophobicContact CB-CG1 3.77Å; P110-V162 HydrophobicContact CB-CG2 3.86Å; L111-V162 HydrophobicContact CD2-CG1 3.92Å; L111-V162 HydrophobicContact CG-CG1 4.09Å; I114-V162 HydrophobicContact CD1-CB 3.54Å; I114-V162 HydrophobicContact CD1-CG1 3.76Å; I114-V162 HydrophobicContact CD1-CG2 3.75Å; Y158-V162 HydrophobicContact CE1-CG2 4.28Å; Y158-V162 HydrophobicContact CE2-CG2 4.12Å; Y158-V162 PolarHBondContact O-N 3.16Å; Y158-V162 VanDerWaalsContact O-N 3.1Å; I159-V162 PolarHBondContact O-N 2.96Å; Y160-V162 PolarHBondContact O-N 3.45Å; V162-S165 WeakPolarHBondContact O-CB 3.45Å; V162-S165 PolarHBondContact O-N 3.49Å; V162-A166 PolarHBondContact O-N 3.25Å
163	L	90.5	Very high	88.2	Confident	25 Å²	25	62.2 Å²	62.2	13%	0.131	33%	0.328	C	S	.	.	H	α-helix	trans	-65.2	-41.6	174.5	-69	174.1	0	0	0	111.9	L111 I159 Y160 A166 Q167 A205 A208	L111-L163 HydrophobicContact CD2-CD2 4.44Å; I159-L163 HydrophobicContact CG2-CD1 3.95Å; I159-L163 HydrophobicContact CG2-CG 4.48Å; I159-L163 WeakPolarHBondContact O-CG 3.49Å; I159-L163 PolarHBondContact O-N 2.9Å; Y160-L163 PolarHBondContact O-N 3.23Å; L163-A166 WeakPolarHBondContact O-CB 3.48Å; L163-A166 PolarHBondContact O-N 3.02Å; L163-Q167 PolarHBondContact O-N 2.92Å; L163-A205 HydrophobicContact CD2-CB 4.18Å; L163-A205 WeakPolarHBondContact CD2-O 3.28Å; L163-A208 HydrophobicContact CD2-CB 4.09Å
164	E	90.4	Very high	86.8	Confident	127 Å²	127	61.9 Å²	61.9	59%	0.593	34%	0.338	S	S	*	.	H	α-helix	trans	-62.5	-42.3	172.4	-175.6	178.1	-157.5	0	0	111.2	Y160 A166 Q167 A168	Y160-E164 WeakPolarHBondContact O-CB 3.5Å; Y160-E164 PolarHBondContact O-N 3.47Å; E164-A166 VanDerWaalsContact C-N 3.28Å; E164-A166 PolarHBondContact O-N 3.1Å; E164-Q167 PolarHBondContact O-N 2.92Å; E164-A168 WeakPolarHBondContact O-CB 3.43Å; E164-A168 PolarHBondContact O-N 2.88Å
165	S	88.3	Confident	85.4	Confident	64 Å²	64	59.3 Å²	59.3	45%	0.448	32%	0.315	S	S	.	.	H	α-helix	trans	-61	-36.2	173.7	-63	0	0	0	0	112.4	S161 V162 F169	S161-S165 VanDerWaalsContact O-CB 3.32Å; S161-S165 WeakPolarHBondContact O-CB 3.26Å; S161-S165 PolarHBondContact O-N 3.32Å; S161-S165 PolarHBondContact O-OG 2.66Å; V162-S165 WeakPolarHBondContact O-CB 3.45Å; V162-S165 PolarHBondContact O-N 3.49Å; S165-F169 WeakPolarHBondContact O-CB 3.35Å; S165-F169 PolarHBondContact O-N 3.29Å
166	A	86.7	Confident	83.5	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-69.3	-44.3	173.9	0	0	0	0	0	112.1	L107 L111 V162 L163 E164 A168 F169 L170 V201 A205	L107-A166 HydrophobicContact CD1-CB 4.19Å; L107-A166 HydrophobicContact CD2-CB 3.87Å; L107-A166 HydrophobicContact CG-CB 4.44Å; L111-A166 HydrophobicContact CD1-CB 4.46Å; V162-A166 PolarHBondContact O-N 3.25Å; L163-A166 WeakPolarHBondContact O-CB 3.48Å; L163-A166 PolarHBondContact O-N 3.02Å; E164-A166 VanDerWaalsContact C-N 3.28Å; E164-A166 PolarHBondContact O-N 3.1Å; A166-A168 VanDerWaalsContact C-N 3.32Å; A166-A168 PolarHBondContact O-N 3.22Å; A166-F169 PolarHBondContact O-N 3.4Å; A166-L170 WeakPolarHBondContact O-CB 3.31Å; A166-L170 VanDerWaalsContact O-CG 3.23Å; A166-L170 WeakPolarHBondContact O-CG 3.49Å; A166-L170 PolarHBondContact O-N 3.34Å; A166-V201 HydrophobicContact CB-CG1 4.24Å; A166-A205 HydrophobicContact CB-CB 3.92Å
167	Q	87.3	Confident	81.5	Confident	108 Å²	108	66.8 Å²	66.8	51%	0.505	35%	0.353	S	S	.	.	H	α-helix	trans	-61.3	-40.4	175	-166	178.9	24	0	0	111.8	L163 E164 L170 S171	L163-Q167 PolarHBondContact O-N 2.92Å; E164-Q167 PolarHBondContact O-N 2.92Å; Q167-L170 PolarHBondContact O-N 2.97Å; Q167-S171 WeakPolarHBondContact O-CB 3.21Å; Q167-S171 PolarHBondContact O-N 3.17Å; Q167-S171 PolarHBondContact O-OG 3.37Å; Q167-S171 VanDerWaalsContact O-OG 3.14Å
168	A	85.3	Confident	79.2	Confident	41 Å²	41	69.1 Å²	69.1	34%	0.339	36%	0.359	S	S	.	.	H	α-helix	trans	-63.8	-39.5	174.4	0	0	0	0	0	112.5	E164 A166 S171 Q172	E164-A168 WeakPolarHBondContact O-CB 3.43Å; E164-A168 PolarHBondContact O-N 2.88Å; A166-A168 VanDerWaalsContact C-N 3.32Å; A166-A168 PolarHBondContact O-N 3.22Å; A168-S171 PolarHBondContact O-OG 3.04Å; A168-Q172 WeakPolarHBondContact O-CG 3.33Å; A168-Q172 PolarHBondContact O-N 3.14Å; A168-Q172 PolarHBondContact O-NE2 2.88Å
169	F	84.4	Confident	76.9	Confident	11 Å²	11	74.5 Å²	74.5	5%	0.048	39%	0.387	C	S	.	.	H	α-helix	trans	-67	-44.1	174	172.5	-95	0	0	0	112.2	F100 H103 L107 S165 A166 Q172 H173 V201	F100-F169 HydrophobicContact CD2-CE2 4.04Å; F100-F169 AromaticContact CD2-CZ 4Å; F100-F169 HydrophobicContact CD2-CZ 4Å; F100-F169 HydrophobicContact CE2-CE1 4.3Å; F100-F169 AromaticContact CE2-CE2 3.93Å; F100-F169 HydrophobicContact CE2-CE2 3.93Å; F100-F169 AromaticContact CE2-CZ 3.4Å; F100-F169 HydrophobicContact CE2-CZ 3.4Å; F100-F169 VanDerWaalsContact CE2-CZ 3.4Å; F100-F169 AromaticContact CZ-CZ 3.75Å; F100-F169 HydrophobicContact CZ-CZ 3.75Å; H103-F169 HydrophobicContact CB-CD2 3.94Å; H103-F169 HydrophobicContact CB-CE2 4.13Å; L107-F169 HydrophobicContact CD2-CB 4.05Å; L107-F169 HydrophobicContact CD2-CD1 4.18Å; L107-F169 HydrophobicContact CD2-CG 4.14Å; S165-F169 WeakPolarHBondContact O-CB 3.35Å; S165-F169 PolarHBondContact O-N 3.29Å; A166-F169 PolarHBondContact O-N 3.4Å; F169-Q172 PolarHBondContact O-N 3.14Å; F169-H173 AromaticContact CD2-CD2 3.94Å; F169-H173 AromaticContact CE2-CD2 3.71Å; F169-H173 PolarHBondContact O-N 3.42Å; F169-V201 HydrophobicContact CD1-CB 4.31Å; F169-V201 HydrophobicContact CD1-CG1 3.82Å; F169-V201 HydrophobicContact CD1-CG2 4.38Å; F169-V201 HydrophobicContact CE1-CB 4.11Å; F169-V201 HydrophobicContact CE1-CG1 4.13Å; F169-V201 HydrophobicContact CE1-CG2 3.93Å
170	L	82.7	Confident	74.5	Confident	27 Å²	27	81.6 Å²	81.6	14%	0.141	42%	0.42	C	S	.	.	H	α-helix	trans	-68.8	-38.5	-178.7	-67.2	170.4	0	0	0	112.3	A166 Q167 Q172 H173 F175 S198 V201 W202	A166-L170 WeakPolarHBondContact O-CB 3.31Å; A166-L170 VanDerWaalsContact O-CG 3.23Å; A166-L170 WeakPolarHBondContact O-CG 3.49Å; A166-L170 PolarHBondContact O-N 3.34Å; Q167-L170 PolarHBondContact O-N 2.97Å; L170-Q172 VanDerWaalsContact C-N 3.27Å; L170-Q172 PolarHBondContact O-N 2.77Å; L170-H173 CarbonylContact O-C 3.57Å; L170-H173 PolarHBondContact O-N 3.41Å; L170-F175 HydrophobicContact CD2-CE1 4.24Å; L170-S198 WeakPolarHBondContact CD2-O 3.18Å; L170-V201 HydrophobicContact CD1-CG1 4.39Å; L170-V201 HydrophobicContact CD2-CB 4.4Å; L170-V201 HydrophobicContact CD2-CG1 4.1Å; L170-V201 HydrophobicContact CG-CG1 4.18Å; L170-W202 HydrophobicContact CD1-CB 3.97Å; L170-W202 HydrophobicContact CD1-CG 4.46Å; L170-W202 HydrophobicContact CD2-CB 4.1Å
171	S	80.9	Confident	72	Confident	86 Å²	86	80.4 Å²	80.4	60%	0.601	43%	0.429	S	S	*	.	H	α-helix	trans	-63.9	-30.3	174.9	61.9	0	0	0	0	113.5	Q167 A168 H173	Q167-S171 WeakPolarHBondContact O-CB 3.21Å; Q167-S171 PolarHBondContact O-N 3.17Å; Q167-S171 PolarHBondContact O-OG 3.37Å; Q167-S171 VanDerWaalsContact O-OG 3.14Å; A168-S171 PolarHBondContact O-OG 3.04Å; S171-H173 VanDerWaalsContact C-N 3.34Å
172	Q	77.1	Confident	69.6	Low	134 Å²	134	86.1 Å²	86.1	63%	0.626	45%	0.45	S	S	*	.	H	α-helix	trans	-77.4	-20.4	173.2	-69.9	173	66.7	0	0	112.9	A168 F169 L170	A168-Q172 WeakPolarHBondContact O-CG 3.33Å; A168-Q172 PolarHBondContact O-N 3.14Å; A168-Q172 PolarHBondContact O-NE2 2.88Å; F169-Q172 PolarHBondContact O-N 3.14Å; L170-Q172 VanDerWaalsContact C-N 3.27Å; L170-Q172 PolarHBondContact O-N 2.77Å
173	H	71.8	Confident	67.2	Low	41 Å²	41	90.3 Å²	90.3	19%	0.19	48%	0.48	C	S	.	.	S	Bend	trans	-131.7	64.2	-177.1	-58.3	-37.6	0	0	0	112.9	F100 F169 L170 S171	F100-H173 AromaticContact CD2-CD2 3.41Å; F100-H173 VanDerWaalsContact CD2-CD2 3.41Å; F100-H173 WeakPolarHBondContact CD2-CD2 3.29Å; F100-H173 AromaticContact CD2-CG 3.89Å; F100-H173 AromaticContact CD2-NE2 3.57Å; F100-H173 HydrophobicContact CE2-CB 4.32Å; F100-H173 AromaticContact CE2-CD2 3.65Å; F100-H173 AromaticContact CE2-CG 3.95Å; F169-H173 AromaticContact CD2-CD2 3.94Å; F169-H173 AromaticContact CE2-CD2 3.71Å; F169-H173 PolarHBondContact O-N 3.42Å; L170-H173 CarbonylContact O-C 3.57Å; L170-H173 PolarHBondContact O-N 3.41Å; S171-H173 VanDerWaalsContact C-N 3.34Å
174	P	64.1	Low	64.9	Low	110 Å²	110	98.7 Å²	98.7	71%	0.714	52%	0.519	S	S	*	.			trans	-56.8	141.4	177.5	-23.2	34	0	0	0	112.2
175	F	66	Low	62.5	Low	37 Å²	37	96.8 Å²	96.8	16%	0.162	52%	0.519	C	S	.	.			trans	-125.8	152.3	171.3	65.8	-86.7	0	0	0	109.2	L170 E177 W202	L170-F175 HydrophobicContact CD2-CE1 4.24Å; F175-E177 HydrophobicContact CE2-CG 3.96Å; F175-W202 HydrophobicContact CE1-CB 3.92Å; F175-W202 HydrophobicContact CE1-CG 4.09Å; F175-W202 HydrophobicContact CZ-CB 3.87Å; F175-W202 AromaticContact CZ-CD2 3.97Å; F175-W202 HydrophobicContact CZ-CD2 3.97Å; F175-W202 HydrophobicContact CZ-CE3 4.47Å; F175-W202 AromaticContact CZ-CG 3.68Å; F175-W202 HydrophobicContact CZ-CG 3.68Å
176	E	53.2	Low	60.7	Low	131 Å²	131	103.2 Å²	103.2	61%	0.612	54%	0.539	S	S	*	.			trans	-88.2	133.5	174	-70.4	164	124.7	0	0	109.3	L178	E176-L178 PolarHBondContact O-N 3.06Å
177	E	48.5	Very low	58.7	Low	95 Å²	95	110.2 Å²	110.2	44%	0.444	58%	0.577	S	S	.	*			trans	-79	94.7	166.2	-71.3	-170.6	110.5	0	0	109	F175	F175-E177 HydrophobicContact CE2-CG 3.96Å
178	L	44.5	Very low	57.1	Low	140 Å²	140	107.6 Å²	107.6	73%	0.733	57%	0.568	S	S	*	*			trans	-127.8	141.6	167.6	-80.8	168	0	0	0	109.1	E176	E176-L178 PolarHBondContact O-N 3.06Å
179	E	45	Very low	55.9	Low	187 Å²	187	107.8 Å²	107.8	87%	0.874	57%	0.567	S	S	*	*			trans	-62.3	159.7	-170.2	-60.2	179	118.8	0	0	113.4	P181	E179-P181 VanDerWaalsContact O-CD 3.26Å; E179-P181 WeakPolarHBondContact O-CD 3.48Å
180	E	42.9	Very low	54.8	Low	149 Å²	149	110.6 Å²	110.6	70%	0.696	59%	0.586	S	S	*	*			trans	-67.8	121.9	-171.5	-64.2	-162.3	164.5	0	0	113.8	H182	E180-H182 PolarHBondContact O-N 2.99Å; E180-H182 IonicContact OE2-CE1 3.74Å; E180-H182 PolarHBondContact OE2-CE1 3.18Å; E180-H182 IonicContact OE2-ND1 3.94Å
181	P	39.4	Very low	53.9	Low	113 Å²	113	116.8 Å²	116.8	73%	0.734	61%	0.612	S	S	*	*			trans	-88.6	97.4	163.7	33.3	-27.4	0	0	0	109.5	E179 S183	E179-P181 VanDerWaalsContact O-CD 3.26Å; E179-P181 WeakPolarHBondContact O-CD 3.48Å; P181-S183 PolarHBondContact O-N 2.74Å
182	H	43.6	Very low	53.2	Low	172 Å²	172	117 Å²	117	80%	0.796	60%	0.604	S	S	*	*			trans	-58.7	98.9	173.6	-66.7	-34.4	0	0	0	111.7	E180	E180-H182 PolarHBondContact O-N 2.99Å; E180-H182 IonicContact OE2-CE1 3.74Å; E180-H182 PolarHBondContact OE2-CE1 3.18Å; E180-H182 IonicContact OE2-ND1 3.94Å
183	S	38.6	Very low	52.7	Low	99 Å²	99	117.3 Å²	117.3	69%	0.692	60%	0.599	S	S	*	*			trans	-155.9	117.7	166.1	52.4	0	0	0	0	111.2	P181 S185	P181-S183 PolarHBondContact O-N 2.74Å; S183-S185 PolarHBondContact O-N 2.97Å; S183-S185 VanDerWaalsContact O-N 3.11Å
184	E	42.4	Very low	52.7	Low	201 Å²	201	117.6 Å²	117.6	94%	0.939	60%	0.601	S	S	*	*			trans	-73	102	175.5	-68.1	-162.8	130.2	0	0	110.8
185	S	40.3	Very low	53.2	Low	87 Å²	87	115.6 Å²	115.6	61%	0.608	58%	0.582	S	S	*	*			trans	-118.8	117.9	169	-176.7	0	0	0	0	109.9	S183 D187	S183-S185 PolarHBondContact O-N 2.97Å; S183-S185 VanDerWaalsContact O-N 3.11Å; S185-D187 VanDerWaalsContact C-N 3.3Å; S185-D187 PolarHBondContact O-N 3.44Å
186	K	49.4	Very low	53.7	Low	198 Å²	198	117.6 Å²	117.6	86%	0.861	60%	0.595	S	S	*	*	S	Bend	trans	-75.2	-12.7	-170.9	-82	-178.2	174	172.8	0	115	T188	K186-T188 PolarHBondContact O-N 2.85Å
187	D	45.4	Very low	54.8	Low	148 Å²	148	113.8 Å²	113.8	79%	0.791	58%	0.578	S	S	*	*			trans	-98.6	72.5	175.1	-77.7	-52.6	0	0	0	112.1	S185 S189	S185-D187 VanDerWaalsContact C-N 3.3Å; S185-D187 PolarHBondContact O-N 3.44Å; D187-S189 PolarHBondContact O-N 3.01Å
188	T	53.1	Low	56.3	Low	53 Å²	53	109.3 Å²	109.3	33%	0.325	56%	0.557	S	S	.	*			trans	-65	118.2	171.8	47	0	0	0	0	111.2	K186 R193	K186-T188 PolarHBondContact O-N 2.85Å; T188-R193 PolarHBondContact O-NE 3.04Å; T188-R193 VanDerWaalsContact O-NE 3.11Å; T188-R193 PolarHBondContact OG1-NE 3.09Å; T188-R193 VanDerWaalsContact OG1-NE 3.09Å
189	S	59.6	Low	58.1	Low	45 Å²	45	106.7 Å²	106.7	32%	0.315	54%	0.538	S	S	.	.			trans	-63.8	155.4	177.8	71.3	0	0	0	0	111.8	D187 K191 Q192 R193	D187-S189 PolarHBondContact O-N 3.01Å; S189-K191 PolarHBondContact O-N 2.85Å; S189-K191 VanDerWaalsContact O-N 3.08Å; S189-Q192 VanDerWaalsContact CB-OE1 3.28Å; S189-Q192 PolarHBondContact O-N 3.19Å; S189-Q192 PolarHBondContact OG-N 2.85Å; S189-Q192 PolarHBondContact OG-OE1 3.26Å; S189-R193 PolarHBondContact O-N 3.37Å
190	P	61.5	Low	60	Low	69 Å²	69	101.9 Å²	101.9	45%	0.448	51%	0.514	S	S	.	.	H	α-helix	trans	-56.5	-27.9	178.2	-27.3	35.6	0	0	0	114.2	L97 I194	L97-P190 HydrophobicContact CD1-CB 4.05Å; L97-P190 HydrophobicContact CD2-CB 4.06Å; P190-I194 WeakPolarHBondContact O-CG1 3.49Å; P190-I194 PolarHBondContact O-N 3.4Å; P190-I194 VanDerWaalsContact O-N 3.12Å
191	K	63.8	Low	62.1	Low	158 Å²	158	94.8 Å²	94.8	69%	0.687	48%	0.481	S	S	*	.	H	α-helix	trans	-67.9	-46.4	172.8	-72.7	-170.1	173.8	-169.7	0	112.4	S189 R193 I194 Q195	S189-K191 PolarHBondContact O-N 2.85Å; S189-K191 VanDerWaalsContact O-N 3.08Å; K191-R193 VanDerWaalsContact C-N 3.29Å; K191-R193 PolarHBondContact O-N 3.47Å; K191-I194 WeakPolarHBondContact O-CB 3.28Å; K191-I194 PolarHBondContact O-N 2.89Å; K191-Q195 WeakPolarHBondContact O-CG 3.39Å; K191-Q195 PolarHBondContact O-N 2.87Å
192	Q	66.3	Low	64.3	Low	91 Å²	91	93.8 Å²	93.8	43%	0.425	46%	0.463	S	S	.	.	H	α-helix	trans	-65.3	-33.8	177	-72	158.2	-55.7	0	0	111.5	S189 Q195 N196	S189-Q192 VanDerWaalsContact CB-OE1 3.28Å; S189-Q192 PolarHBondContact O-N 3.19Å; S189-Q192 PolarHBondContact OG-N 2.85Å; S189-Q192 PolarHBondContact OG-OE1 3.26Å; Q192-Q195 PolarHBondContact O-N 2.89Å; Q192-N196 VanDerWaalsContact O-CB 3.3Å; Q192-N196 WeakPolarHBondContact O-CB 3.46Å; Q192-N196 PolarHBondContact O-N 3.36Å; Q192-N196 PolarHBondContact O-OD1 2.86Å
193	R	67.9	Low	66.4	Low	140 Å²	140	91 Å²	91	53%	0.528	45%	0.448	S	S	.	.	H	α-helix	trans	-63.8	-45.1	172.4	-64.6	-174.9	-170.9	-168.1	2.4	111.9	T188 S189 K191 N196 L197	T188-R193 PolarHBondContact O-NE 3.04Å; T188-R193 VanDerWaalsContact O-NE 3.11Å; T188-R193 PolarHBondContact OG1-NE 3.09Å; T188-R193 VanDerWaalsContact OG1-NE 3.09Å; S189-R193 PolarHBondContact O-N 3.37Å; K191-R193 VanDerWaalsContact C-N 3.29Å; K191-R193 PolarHBondContact O-N 3.47Å; R193-N196 PolarHBondContact O-N 3.46Å; R193-L197 VanDerWaalsContact O-CD1 3.3Å; R193-L197 WeakPolarHBondContact O-CD1 3.43Å; R193-L197 PolarHBondContact O-N 3Å
194	I	70.7	Confident	68.9	Low	46 Å²	46	87.8 Å²	87.8	24%	0.236	42%	0.422	C	S	.	.	H	α-helix	trans	-56.5	-51.8	172.4	-74.8	166.8	0	0	0	110.8	L97 F100 P190 K191 N196 L197 S198	L97-I194 HydrophobicContact CD2-CD1 3.7Å; L97-I194 HydrophobicContact CD2-CG1 4.07Å; F100-I194 HydrophobicContact CD1-CG1 3.97Å; F100-I194 HydrophobicContact CD2-CG1 4.18Å; F100-I194 HydrophobicContact CD2-CG2 4.23Å; F100-I194 HydrophobicContact CE1-CB 4.37Å; F100-I194 HydrophobicContact CE1-CG1 3.97Å; F100-I194 HydrophobicContact CE2-CB 4.24Å; F100-I194 HydrophobicContact CE2-CG1 4.18Å; F100-I194 HydrophobicContact CE2-CG2 3.71Å; F100-I194 HydrophobicContact CG-CG1 4.09Å; F100-I194 HydrophobicContact CZ-CB 4.07Å; F100-I194 HydrophobicContact CZ-CG1 4.08Å; F100-I194 HydrophobicContact CZ-CG2 3.97Å; F100-I194 WeakPolarHBondContact CZ-O 3.28Å; P190-I194 WeakPolarHBondContact O-CG1 3.49Å; P190-I194 PolarHBondContact O-N 3.4Å; P190-I194 VanDerWaalsContact O-N 3.12Å; K191-I194 WeakPolarHBondContact O-CB 3.28Å; K191-I194 PolarHBondContact O-N 2.89Å; I194-N196 VanDerWaalsContact C-N 3.32Å; I194-N196 PolarHBondContact O-N 3.41Å; I194-L197 PolarHBondContact O-N 3.48Å; I194-S198 PolarHBondContact O-N 3.17Å; I194-S198 PolarHBondContact O-OG 3.22Å
195	Q	74.4	Confident	71.1	Confident	68 Å²	68	78.9 Å²	78.9	32%	0.318	38%	0.383	S	S	.	.	H	α-helix	trans	-63.4	-34.5	-178.8	-71.6	171.4	-51.2	0	0	113.2	K191 Q192 S198 R199	K191-Q195 WeakPolarHBondContact O-CG 3.39Å; K191-Q195 PolarHBondContact O-N 2.87Å; Q192-Q195 PolarHBondContact O-N 2.89Å; Q195-S198 WeakPolarHBondContact CA-OG 3.23Å; Q195-S198 PolarHBondContact O-OG 3.04Å; Q195-R199 VanDerWaalsContact O-CB 3.26Å; Q195-R199 WeakPolarHBondContact O-CB 3.26Å; Q195-R199 PolarHBondContact O-N 3.34Å
196	N	76.6	Confident	73.4	Confident	79 Å²	79	76.7 Å²	76.7	42%	0.422	37%	0.366	S	S	.	.	H	α-helix	trans	-73.8	-36.7	177.3	-71.4	-4.6	0	0	0	111.9	Q192 R193 I194 R199 F200	Q192-N196 VanDerWaalsContact O-CB 3.3Å; Q192-N196 WeakPolarHBondContact O-CB 3.46Å; Q192-N196 PolarHBondContact O-N 3.36Å; Q192-N196 PolarHBondContact O-OD1 2.86Å; R193-N196 PolarHBondContact O-N 3.46Å; I194-N196 VanDerWaalsContact C-N 3.32Å; I194-N196 PolarHBondContact O-N 3.41Å; N196-R199 PolarHBondContact OD1-NH1 3.42Å; N196-F200 WeakPolarHBondContact O-CB 3.46Å; N196-F200 PolarHBondContact O-N 3.23Å
197	L	77.3	Confident	75.5	Confident	51 Å²	51	70.2 Å²	70.2	27%	0.267	34%	0.343	S	S	.	.	H	α-helix	trans	-72.3	-37.3	173.2	-90.8	105.7	0	0	0	112.8	F100 S104 R193 I194 F200 V201	F100-L197 HydrophobicContact CE1-CB 3.81Å; F100-L197 HydrophobicContact CE1-CD2 4.39Å; F100-L197 HydrophobicContact CE1-CG 4.46Å; F100-L197 HydrophobicContact CZ-CB 3.73Å; S104-L197 WeakPolarHBondContact OG-CD2 3.35Å; R193-L197 VanDerWaalsContact O-CD1 3.3Å; R193-L197 WeakPolarHBondContact O-CD1 3.43Å; R193-L197 PolarHBondContact O-N 3Å; I194-L197 PolarHBondContact O-N 3.48Å; L197-F200 PolarHBondContact O-N 3.34Å; L197-V201 WeakPolarHBondContact O-CG2 3.33Å; L197-V201 PolarHBondContact O-N 3.24Å
198	S	80.6	Confident	77.8	Confident	1 Å²	1	63.1 Å²	63.1	1%	0.007	31%	0.305	C	S	.	.	H	α-helix	trans	-66.8	-40.4	173.4	61.6	0	0	0	0	111.5	L170 I194 Q195 F200 V201 W202	L170-S198 WeakPolarHBondContact CD2-O 3.18Å; I194-S198 PolarHBondContact O-N 3.17Å; I194-S198 PolarHBondContact O-OG 3.22Å; Q195-S198 WeakPolarHBondContact CA-OG 3.23Å; Q195-S198 PolarHBondContact O-OG 3.04Å; S198-F200 VanDerWaalsContact C-N 3.32Å; S198-F200 PolarHBondContact O-N 2.72Å; S198-V201 PolarHBondContact O-N 2.91Å; S198-W202 WeakPolarHBondContact O-CB 3.43Å; S198-W202 PolarHBondContact O-N 2.77Å
199	R	81.8	Confident	79.6	Confident	85 Å²	85	62.5 Å²	62.5	32%	0.321	30%	0.303	S	S	.	.	H	α-helix	trans	-62.2	-36.5	171.6	-164.9	-172.4	-62.4	107.8	-4.2	112.5	Q195 N196 K203	Q195-R199 VanDerWaalsContact O-CB 3.26Å; Q195-R199 WeakPolarHBondContact O-CB 3.26Å; Q195-R199 PolarHBondContact O-N 3.34Å; N196-R199 PolarHBondContact OD1-NH1 3.42Å; R199-K203 WeakPolarHBondContact O-CG 3.46Å; R199-K203 PolarHBondContact O-N 3.47Å
200	F	84.9	Confident	81.3	Confident	86 Å²	86	66 Å²	66	38%	0.377	31%	0.314	S	S	.	.	H	α-helix	trans	-65.9	-50	174.4	178.9	-91.1	0	0	0	111.8	Q108 N196 L197 S198 W202 K203 Q204	Q108-F200 HydrophobicContact CG-CD1 4.19Å; Q108-F200 HydrophobicContact CG-CE1 3.96Å; N196-F200 WeakPolarHBondContact O-CB 3.46Å; N196-F200 PolarHBondContact O-N 3.23Å; L197-F200 PolarHBondContact O-N 3.34Å; S198-F200 VanDerWaalsContact C-N 3.32Å; S198-F200 PolarHBondContact O-N 2.72Å; F200-W202 VanDerWaalsContact C-N 3.29Å; F200-W202 PolarHBondContact O-N 2.65Å; F200-K203 PolarHBondContact O-N 2.88Å; F200-Q204 HydrophobicContact CD1-CG 4.17Å; F200-Q204 HydrophobicContact CE1-CG 3.74Å; F200-Q204 HydrophobicContact CE2-CG 4.18Å; F200-Q204 HydrophobicContact CZ-CG 3.74Å; F200-Q204 WeakPolarHBondContact O-CB 3.31Å; F200-Q204 WeakPolarHBondContact O-CG 3.31Å; F200-Q204 PolarHBondContact O-N 3.06Å
201	V	85.8	Confident	82.8	Confident	0 Å²	0	64.3 Å²	64.3	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-58.9	-41.8	176.4	165.6	0	0	0	0	111.1	L107 L111 A166 F169 L170 L197 S198 Q204 A205	L107-V201 HydrophobicContact CD2-CB 4.48Å; L107-V201 HydrophobicContact CD2-CG1 3.43Å; L107-V201 VanDerWaalsContact CD2-CG1 3.43Å; L107-V201 HydrophobicContact CD2-CG2 4.17Å; L111-V201 HydrophobicContact CD1-CG1 4.17Å; A166-V201 HydrophobicContact CB-CG1 4.24Å; F169-V201 HydrophobicContact CD1-CB 4.31Å; F169-V201 HydrophobicContact CD1-CG1 3.82Å; F169-V201 HydrophobicContact CD1-CG2 4.38Å; F169-V201 HydrophobicContact CE1-CB 4.11Å; F169-V201 HydrophobicContact CE1-CG1 4.13Å; F169-V201 HydrophobicContact CE1-CG2 3.93Å; L170-V201 HydrophobicContact CD1-CG1 4.39Å; L170-V201 HydrophobicContact CD2-CB 4.4Å; L170-V201 HydrophobicContact CD2-CG1 4.1Å; L170-V201 HydrophobicContact CG-CG1 4.18Å; L197-V201 WeakPolarHBondContact O-CG2 3.33Å; L197-V201 PolarHBondContact O-N 3.24Å; S198-V201 PolarHBondContact O-N 2.91Å; V201-Q204 PolarHBondContact O-N 3.48Å; V201-A205 VanDerWaalsContact O-CB 3.28Å; V201-A205 WeakPolarHBondContact O-CB 3.34Å; V201-A205 PolarHBondContact O-N 3.19Å
202	W	86.8	Confident	84.3	Confident	92 Å²	92	57.4 Å²	57.4	35%	0.348	27%	0.271	S	S	.	.	H	α-helix	trans	-62.1	-52.5	175.1	177.7	84.4	0	0	0	111.7	L170 F175 S198 F200 Q204 A205 T206	L170-W202 HydrophobicContact CD1-CB 3.97Å; L170-W202 HydrophobicContact CD1-CG 4.46Å; L170-W202 HydrophobicContact CD2-CB 4.1Å; F175-W202 HydrophobicContact CE1-CB 3.92Å; F175-W202 HydrophobicContact CE1-CG 4.09Å; F175-W202 HydrophobicContact CZ-CB 3.87Å; F175-W202 AromaticContact CZ-CD2 3.97Å; F175-W202 HydrophobicContact CZ-CD2 3.97Å; F175-W202 HydrophobicContact CZ-CE3 4.47Å; F175-W202 AromaticContact CZ-CG 3.68Å; F175-W202 HydrophobicContact CZ-CG 3.68Å; S198-W202 WeakPolarHBondContact O-CB 3.43Å; S198-W202 PolarHBondContact O-N 2.77Å; F200-W202 VanDerWaalsContact C-N 3.29Å; F200-W202 PolarHBondContact O-N 2.65Å; W202-Q204 VanDerWaalsContact C-N 3.27Å; W202-Q204 PolarHBondContact O-N 2.96Å; W202-A205 PolarHBondContact O-N 3.43Å; W202-T206 WeakPolarHBondContact O-CB 3.39Å; W202-T206 PolarHBondContact O-N 2.83Å; W202-T206 PolarHBondContact O-OG1 3.49Å; W202-T206 VanDerWaalsContact O-OG1 3.04Å
203	K	88.1	Confident	85.6	Confident	114 Å²	114	59.2 Å²	59.2	50%	0.496	28%	0.279	S	S	.	.	H	α-helix	trans	-56	-41.8	177.5	-76.8	-169.1	176.5	-169.8	0	112.2	R199 F200 V207	R199-K203 WeakPolarHBondContact O-CG 3.46Å; R199-K203 PolarHBondContact O-N 3.47Å; F200-K203 PolarHBondContact O-N 2.88Å; K203-V207 WeakPolarHBondContact O-CB 3.42Å; K203-V207 VanDerWaalsContact O-CG2 3.31Å; K203-V207 WeakPolarHBondContact O-CG2 3.35Å; K203-V207 PolarHBondContact O-N 3.03Å
204	Q	89.5	Confident	86.9	Confident	32 Å²	32	57.3 Å²	57.3	15%	0.15	28%	0.275	C	S	.	.	H	α-helix	trans	-69.7	-42.2	178.5	-72.8	-100	-38.4	0	0	112.4	L111 I115 F200 V201 W202 V207 A208	L111-Q204 HydrophobicContact CB-CB 4.31Å; L111-Q204 HydrophobicContact CD1-CB 4.13Å; I115-Q204 HydrophobicContact CD1-CB 4.29Å; F200-Q204 HydrophobicContact CD1-CG 4.17Å; F200-Q204 HydrophobicContact CE1-CG 3.74Å; F200-Q204 HydrophobicContact CE2-CG 4.18Å; F200-Q204 HydrophobicContact CZ-CG 3.74Å; F200-Q204 WeakPolarHBondContact O-CB 3.31Å; F200-Q204 WeakPolarHBondContact O-CG 3.31Å; F200-Q204 PolarHBondContact O-N 3.06Å; V201-Q204 PolarHBondContact O-N 3.48Å; W202-Q204 VanDerWaalsContact C-N 3.27Å; W202-Q204 PolarHBondContact O-N 2.96Å; Q204-V207 PolarHBondContact O-N 2.94Å; Q204-A208 VanDerWaalsContact O-CB 3.28Å; Q204-A208 WeakPolarHBondContact O-CB 3.38Å; Q204-A208 PolarHBondContact O-N 2.88Å
205	A	89.1	Confident	88	Confident	13 Å²	13	55.2 Å²	55.2	11%	0.107	26%	0.264	C	S	.	.	H	α-helix	trans	-64.9	-39.2	175.1	0	0	0	0	0	112.2	L111 L163 A166 V201 W202 S209	L111-A205 HydrophobicContact CD2-CB 4.23Å; L163-A205 HydrophobicContact CD2-CB 4.18Å; L163-A205 WeakPolarHBondContact CD2-O 3.28Å; A166-A205 HydrophobicContact CB-CB 3.92Å; V201-A205 VanDerWaalsContact O-CB 3.28Å; V201-A205 WeakPolarHBondContact O-CB 3.34Å; V201-A205 PolarHBondContact O-N 3.19Å; W202-A205 PolarHBondContact O-N 3.43Å; A205-S209 WeakPolarHBondContact O-CB 3.46Å; A205-S209 PolarHBondContact O-N 2.86Å
206	T	89.7	Confident	88.9	Confident	42 Å²	42	54.2 Å²	54.2	26%	0.258	26%	0.263	S	S	.	.	H	α-helix	trans	-61.4	-52.5	173.4	-58.1	0	0	0	0	110.9	W202 A208 S209 E210	W202-T206 WeakPolarHBondContact O-CB 3.39Å; W202-T206 PolarHBondContact O-N 2.83Å; W202-T206 PolarHBondContact O-OG1 3.49Å; W202-T206 VanDerWaalsContact O-OG1 3.04Å; T206-A208 VanDerWaalsContact C-N 3.34Å; T206-A208 PolarHBondContact O-N 3.24Å; T206-S209 WeakPolarHBondContact O-CB 3.37Å; T206-S209 PolarHBondContact O-N 3.21Å; T206-S209 VanDerWaalsContact O-N 3.09Å; T206-E210 HydrophobicContact CG2-CG 4.35Å; T206-E210 WeakPolarHBondContact CG2-OE1 3.42Å; T206-E210 WeakPolarHBondContact O-CG 3.41Å; T206-E210 PolarHBondContact O-N 3.37Å
207	V	93.8	Very high	89.8	Confident	61 Å²	61	53 Å²	53	37%	0.37	26%	0.263	S	S	.	.	H	α-helix	trans	-60.7	-40.4	178.4	169.4	0	0	0	0	112	I115 K203 Q204 S209 E210 L211	I115-V207 HydrophobicContact CD1-CB 4.39Å; I115-V207 HydrophobicContact CD1-CG1 4.13Å; I115-V207 HydrophobicContact CG1-CG1 4.27Å; K203-V207 WeakPolarHBondContact O-CB 3.42Å; K203-V207 VanDerWaalsContact O-CG2 3.31Å; K203-V207 WeakPolarHBondContact O-CG2 3.35Å; K203-V207 PolarHBondContact O-N 3.03Å; Q204-V207 PolarHBondContact O-N 2.94Å; V207-S209 VanDerWaalsContact C-N 3.34Å; V207-S209 PolarHBondContact O-N 2.99Å; V207-E210 PolarHBondContact O-N 3.39Å; V207-L211 HydrophobicContact CG1-CD1 3.84Å; V207-L211 HydrophobicContact CG1-CG 4.29Å; V207-L211 VanDerWaalsContact O-CB 3.31Å; V207-L211 WeakPolarHBondContact O-CB 3.27Å; V207-L211 VanDerWaalsContact O-CG 3.26Å; V207-L211 WeakPolarHBondContact O-CG 3.41Å; V207-L211 PolarHBondContact O-N 2.96Å
208	A	92.1	Very high	90.6	Very high	0 Å²	0	54 Å²	54	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-63.4	-38.3	174.9	0	0	0	0	0	112.4	L111 I114 I115 L118 L163 Q204 T206 W212	L111-A208 HydrophobicContact CD2-CB 4.47Å; I114-A208 HydrophobicContact CG2-CB 4.09Å; I115-A208 HydrophobicContact CD1-CB 4.29Å; I115-A208 HydrophobicContact CG1-CB 3.9Å; L118-A208 WeakPolarHBondContact CD1-O 3.33Å; L163-A208 HydrophobicContact CD2-CB 4.09Å; Q204-A208 VanDerWaalsContact O-CB 3.28Å; Q204-A208 WeakPolarHBondContact O-CB 3.38Å; Q204-A208 PolarHBondContact O-N 2.88Å; T206-A208 VanDerWaalsContact C-N 3.34Å; T206-A208 PolarHBondContact O-N 3.24Å; A208-W212 VanDerWaalsContact O-CB 3.31Å; A208-W212 WeakPolarHBondContact O-CB 3.15Å; A208-W212 PolarHBondContact O-N 3.25Å
209	S	92.3	Very high	91.2	Very high	40 Å²	40	54.2 Å²	54.2	28%	0.28	27%	0.265	S	S	.	.	H	α-helix	trans	-69.5	-46.1	176	-159.7	0	0	0	0	111.8	A205 T206 V207 L211 W212 E213	A205-S209 WeakPolarHBondContact O-CB 3.46Å; A205-S209 PolarHBondContact O-N 2.86Å; T206-S209 WeakPolarHBondContact O-CB 3.37Å; T206-S209 PolarHBondContact O-N 3.21Å; T206-S209 VanDerWaalsContact O-N 3.09Å; V207-S209 VanDerWaalsContact C-N 3.34Å; V207-S209 PolarHBondContact O-N 2.99Å; S209-L211 PolarHBondContact O-N 3.47Å; S209-W212 PolarHBondContact O-N 2.93Å; S209-E213 PolarHBondContact O-N 3.26Å
210	E	94.1	Very high	91.8	Very high	117 Å²	117	54.6 Å²	54.6	55%	0.547	28%	0.277	S	S	.	.	H	α-helix	trans	-60.5	-44	176.8	-72.6	173.2	176.2	0	0	111.6	T206 V207 K214	T206-E210 HydrophobicContact CG2-CG 4.35Å; T206-E210 WeakPolarHBondContact CG2-OE1 3.42Å; T206-E210 WeakPolarHBondContact O-CG 3.41Å; T206-E210 PolarHBondContact O-N 3.37Å; V207-E210 PolarHBondContact O-N 3.39Å; E210-K214 WeakPolarHBondContact O-CB 3.41Å; E210-K214 PolarHBondContact O-N 2.75Å
211	L	93.8	Very high	92.1	Very high	34 Å²	34	54.1 Å²	54.1	18%	0.178	28%	0.278	C	S	.	.	H	α-helix	trans	-66.4	-36.9	176.1	-73.4	174.1	0	0	0	112.3	I115 L118 V207 S209 L215	I115-L211 HydrophobicContact CG1-CD1 4.43Å; I115-L211 HydrophobicContact CG2-CD1 4.09Å; L118-L211 HydrophobicContact CB-CB 4.03Å; L118-L211 HydrophobicContact CB-CD1 4.4Å; L118-L211 HydrophobicContact CD1-CB 3.78Å; L118-L211 HydrophobicContact CG-CB 4.47Å; V207-L211 HydrophobicContact CG1-CD1 3.84Å; V207-L211 HydrophobicContact CG1-CG 4.29Å; V207-L211 VanDerWaalsContact O-CB 3.31Å; V207-L211 WeakPolarHBondContact O-CB 3.27Å; V207-L211 VanDerWaalsContact O-CG 3.26Å; V207-L211 WeakPolarHBondContact O-CG 3.41Å; V207-L211 PolarHBondContact O-N 2.96Å; S209-L211 PolarHBondContact O-N 3.47Å; L211-L215 WeakPolarHBondContact O-CB 3.12Å; L211-L215 PolarHBondContact O-N 3.25Å
212	W	94.9	Very high	92.4	Very high	14 Å²	14	55 Å²	55	5%	0.053	28%	0.282	C	S	.	.	H	α-helix	trans	-69	-44.5	176.4	174.1	-112.9	0	0	0	112.3	L118 V152 I159 Y160 A208 S209 L215 T216	L118-W212 HydrophobicContact CD1-CB 4.18Å; L118-W212 HydrophobicContact CD2-CB 4.31Å; L118-W212 HydrophobicContact CD2-CE3 3.83Å; V152-W212 HydrophobicContact CG1-CH2 4.15Å; V152-W212 HydrophobicContact CG1-CZ3 3.67Å; V152-W212 WeakPolarHBondContact O-CH2 3.48Å; I159-W212 HydrophobicContact CD1-CD2 4.15Å; I159-W212 HydrophobicContact CD1-CE3 3.54Å; I159-W212 HydrophobicContact CD1-CH2 4.28Å; I159-W212 HydrophobicContact CD1-CZ3 3.6Å; I159-W212 HydrophobicContact CG2-CB 4.45Å; I159-W212 HydrophobicContact CG2-CD2 4.3Å; I159-W212 HydrophobicContact CG2-CG 4.19Å; Y160-W212 AromaticContact CE1-NE1 3.78Å; Y160-W212 HydrophobicContact CE2-CZ2 4.19Å; Y160-W212 AromaticContact CE2-NE1 3.93Å; Y160-W212 AromaticContact CZ-NE1 3.32Å; Y160-W212 VanDerWaalsContact CZ-NE1 3.32Å; Y160-W212 PolarHBondContact OH-NE1 3.03Å; A208-W212 VanDerWaalsContact O-CB 3.31Å; A208-W212 WeakPolarHBondContact O-CB 3.15Å; A208-W212 PolarHBondContact O-N 3.25Å; S209-W212 PolarHBondContact O-N 2.93Å; W212-L215 PolarHBondContact O-N 3.37Å; W212-T216 HydrophobicContact CD2-CG2 3.92Å; W212-T216 HydrophobicContact CE3-CG2 3.91Å; W212-T216 HydrophobicContact CH2-CG2 3.88Å; W212-T216 HydrophobicContact CZ2-CG2 3.83Å; W212-T216 HydrophobicContact CZ3-CG2 3.92Å; W212-T216 WeakPolarHBondContact O-CB 3.2Å; W212-T216 WeakPolarHBondContact O-CG2 2.98Å; W212-T216 PolarHBondContact O-N 3.49Å; W212-T216 PolarHBondContact O-OG1 3.49Å
213	E	94.3	Very high	92.7	Very high	129 Å²	129	52.7 Å²	52.7	60%	0.603	28%	0.275	S	S	*	.	H	α-helix	trans	-63.9	-43.7	174.4	-72.2	-175.2	-174.8	0	0	111.4	S209 T216 A217	S209-E213 PolarHBondContact O-N 3.26Å; E213-T216 PolarHBondContact O-OG1 3.19Å; E213-A217 VanDerWaalsContact O-CB 3.25Å; E213-A217 WeakPolarHBondContact O-CB 3.09Å; E213-A217 PolarHBondContact O-N 3.04Å
214	K	94.4	Very high	92.9	Very high	100 Å²	100	53.7 Å²	53.7	44%	0.435	28%	0.276	S	S	.	.	H	α-helix	trans	-59.7	-50.7	174.7	-176	-160	176.7	-158.3	0	111.8	D122 E210 A217 R218	D122-K214 IonicContact OD1-NZ 3.42Å; D122-K214 IonicContact OD2-NZ 2.76Å; D122-K214 PolarHBondContact OD2-NZ 2.92Å; E210-K214 WeakPolarHBondContact O-CB 3.41Å; E210-K214 PolarHBondContact O-N 2.75Å; K214-A217 PolarHBondContact O-N 2.91Å; K214-R218 WeakPolarHBondContact O-CB 3.47Å; K214-R218 WeakPolarHBondContact O-CG 3.33Å; K214-R218 PolarHBondContact O-N 3.26Å
215	L	94	Very high	93	Very high	1 Å²	1	54 Å²	54	1%	0.005	28%	0.277	C	S	.	.	H	α-helix	trans	-62.9	-47.7	-178	179.7	64.6	0	0	0	111.1	L118 K121 D122 L125 V152 L211 W212 A217 R218 C219	L118-L215 HydrophobicContact CD2-CD2 3.71Å; K121-L215 HydrophobicContact CB-CD1 4.33Å; K121-L215 HydrophobicContact CB-CD2 3.78Å; D122-L215 HydrophobicContact CB-CD1 4.32Å; L125-L215 HydrophobicContact CD2-CD1 3.89Å; V152-L215 HydrophobicContact CG1-CD2 4.2Å; L211-L215 WeakPolarHBondContact O-CB 3.12Å; L211-L215 PolarHBondContact O-N 3.25Å; W212-L215 PolarHBondContact O-N 3.37Å; L215-A217 PolarHBondContact O-N 2.99Å; L215-R218 PolarHBondContact O-N 2.84Å; L215-C219 PolarHBondContact O-N 3.34Å; L215-C219 PolarHBondContact O-SG 3.09Å
216	T	93.6	Very high	93.1	Very high	48 Å²	48	53.5 Å²	53.5	29%	0.294	27%	0.273	S	S	.	.	H	α-helix	trans	-66	-37	-179.8	52.5	0	0	0	0	112.6	W212 E213 C219 V220	W212-T216 HydrophobicContact CD2-CG2 3.92Å; W212-T216 HydrophobicContact CE3-CG2 3.91Å; W212-T216 HydrophobicContact CH2-CG2 3.88Å; W212-T216 HydrophobicContact CZ2-CG2 3.83Å; W212-T216 HydrophobicContact CZ3-CG2 3.92Å; W212-T216 WeakPolarHBondContact O-CB 3.2Å; W212-T216 WeakPolarHBondContact O-CG2 2.98Å; W212-T216 PolarHBondContact O-N 3.49Å; W212-T216 PolarHBondContact O-OG1 3.49Å; E213-T216 PolarHBondContact O-OG1 3.19Å; T216-C219 PolarHBondContact O-N 3.2Å; T216-V220 WeakPolarHBondContact O-CG2 3.33Å; T216-V220 PolarHBondContact O-N 3.35Å
217	A	94.4	Very high	93.2	Very high	53 Å²	53	54.8 Å²	54.8	44%	0.438	28%	0.276	S	S	.	.	H	α-helix	trans	-63.3	-47.2	170.9	0	0	0	0	0	112	E213 K214 L215 C219 V220 D221	E213-A217 VanDerWaalsContact O-CB 3.25Å; E213-A217 WeakPolarHBondContact O-CB 3.09Å; E213-A217 PolarHBondContact O-N 3.04Å; K214-A217 PolarHBondContact O-N 2.91Å; L215-A217 PolarHBondContact O-N 2.99Å; A217-C219 VanDerWaalsContact C-N 3.32Å; A217-C219 PolarHBondContact O-N 3.28Å; A217-V220 PolarHBondContact O-N 3.24Å; A217-V220 VanDerWaalsContact O-N 3.17Å; A217-D221 PolarHBondContact O-N 3.49Å
218	R	94.2	Very high	93.1	Very high	72 Å²	72	57 Å²	57	27%	0.272	28%	0.278	S	S	.	.	H	α-helix	trans	-59.6	-38.7	176.9	-75.6	-174.5	69.5	-172.1	1.5	112.7	D122 L125 S126 K214 L215 D221 Q222	D122-R218 PolarHBondContact O-NH1 3.26Å; D122-R218 WeakPolarHBondContact OD1-CD 3.22Å; D122-R218 IonicContact OD1-CZ 2.98Å; D122-R218 IonicContact OD1-NE 3.24Å; D122-R218 IonicContact OD1-NH1 2.98Å; D122-R218 PolarHBondContact OD1-NH1 3.23Å; D122-R218 IonicContact OD2-NH1 2.73Å; D122-R218 PolarHBondContact OD2-NH1 2.88Å; L125-R218 HydrophobicContact CD2-CB 3.55Å; S126-R218 PolarHBondContact OG-NH1 2.84Å; S126-R218 PolarHBondContact OG-NH2 2.76Å; K214-R218 WeakPolarHBondContact O-CB 3.47Å; K214-R218 WeakPolarHBondContact O-CG 3.33Å; K214-R218 PolarHBondContact O-N 3.26Å; L215-R218 PolarHBondContact O-N 2.84Å; R218-D221 PolarHBondContact O-N 2.93Å; R218-Q222 VanDerWaalsContact O-CB 3.27Å; R218-Q222 WeakPolarHBondContact O-CB 3.26Å; R218-Q222 PolarHBondContact O-N 3.44Å
219	C	93.6	Very high	93.1	Very high	6 Å²	6	57.1 Å²	57.1	4%	0.041	28%	0.278	C	S	.	.	H	α-helix	trans	-59.5	-48.1	174.1	-68.7	0	0	0	0	111.7	H145 M149 L215 T216 A217 D221 Q222 H223	H145-C219 PolarHBondContact NE2-O 2.94Å; M149-C219 HydrophobicContact CG-CB 4.09Å; M149-C219 HydrophobicContact SD-CB 4.25Å; L215-C219 PolarHBondContact O-N 3.34Å; L215-C219 PolarHBondContact O-SG 3.09Å; T216-C219 PolarHBondContact O-N 3.2Å; A217-C219 VanDerWaalsContact C-N 3.32Å; A217-C219 PolarHBondContact O-N 3.28Å; C219-D221 VanDerWaalsContact C-N 3.34Å; C219-D221 PolarHBondContact O-N 2.86Å; C219-Q222 PolarHBondContact O-N 3.44Å; C219-H223 WeakPolarHBondContact O-CB 3.2Å; C219-H223 PolarHBondContact O-N 2.88Å
220	V	94.3	Very high	93.1	Very high	92 Å²	92	55.8 Å²	55.8	56%	0.558	27%	0.268	S	S	*	.	H	α-helix	trans	-63.7	-40.3	179.6	174.5	0	0	0	0	111.4	T216 A217 R224	T216-V220 WeakPolarHBondContact O-CG2 3.33Å; T216-V220 PolarHBondContact O-N 3.35Å; A217-V220 PolarHBondContact O-N 3.24Å; A217-V220 VanDerWaalsContact O-N 3.17Å; V220-R224 WeakPolarHBondContact O-CB 3.33Å; V220-R224 PolarHBondContact O-N 3.1Å
221	D	92.3	Very high	93.1	Very high	76 Å²	76	56.3 Å²	56.3	41%	0.406	27%	0.27	S	S	.	.	H	α-helix	trans	-71.3	-37.2	177.4	-88	-33.5	0	0	0	113.8	A217 R218 C219 R224 H225	A217-D221 PolarHBondContact O-N 3.49Å; R218-D221 PolarHBondContact O-N 2.93Å; C219-D221 VanDerWaalsContact C-N 3.34Å; C219-D221 PolarHBondContact O-N 2.86Å; D221-R224 PolarHBondContact O-N 2.84Å; D221-R224 IonicContact OD1-CZ 3.34Å; D221-R224 VanDerWaalsContact OD1-CZ 3.23Å; D221-R224 IonicContact OD1-NE 2.65Å; D221-R224 PolarHBondContact OD1-NE 3.3Å; D221-R224 IonicContact OD1-NH2 2.72Å; D221-R224 PolarHBondContact OD1-NH2 3.01Å; D221-H225 WeakPolarHBondContact O-CB 3.48Å; D221-H225 PolarHBondContact O-N 2.71Å
222	Q	90.9	Very high	93	Very high	20 Å²	20	56.4 Å²	56.4	9%	0.093	27%	0.27	C	S	.	.	H	α-helix	trans	-65.5	-45.9	173.8	-176.3	67	4.9	0	0	110.9	L125 Q128 L129 R218 C219 R224 H225 I226	L125-Q222 HydrophobicContact CD1-CB 4.19Å; L125-Q222 HydrophobicContact CD1-CG 4.05Å; Q128-Q222 PolarHBondContact O-NE2 3.4Å; L129-Q222 VanDerWaalsContact CD2-NE2 3.34Å; R218-Q222 VanDerWaalsContact O-CB 3.27Å; R218-Q222 WeakPolarHBondContact O-CB 3.26Å; R218-Q222 PolarHBondContact O-N 3.44Å; C219-Q222 PolarHBondContact O-N 3.44Å; Q222-R224 PolarHBondContact O-N 3.01Å; Q222-H225 WeakPolarHBondContact O-CB 3.21Å; Q222-H225 PolarHBondContact O-N 2.62Å; Q222-H225 VanDerWaalsContact O-N 3.11Å; Q222-I226 HydrophobicContact CG-CD1 4.04Å; Q222-I226 WeakPolarHBondContact O-CG1 3.19Å; Q222-I226 PolarHBondContact O-N 2.95Å
223	H	93.3	Very high	92.9	Very high	43 Å²	43	55.8 Å²	55.8	20%	0.199	27%	0.268	C	S	.	.	H	α-helix	trans	-58.2	-49.3	173.8	-171.5	59.4	0	0	0	111.2	M149 C219 H225 I226 E227	M149-H223 HydrophobicContact CE-CB 3.86Å; M149-H223 VanDerWaalsContact CE-CG 3.47Å; M149-H223 HydrophobicContact SD-CB 4Å; C219-H223 WeakPolarHBondContact O-CB 3.2Å; C219-H223 PolarHBondContact O-N 2.88Å; H223-H225 PolarHBondContact O-N 3.33Å; H223-I226 PolarHBondContact O-N 3.03Å; H223-E227 IonicContact NE2-OE1 2.68Å; H223-E227 IonicContact NE2-OE2 3.08Å; H223-E227 WeakPolarHBondContact O-CG 3.43Å; H223-E227 PolarHBondContact O-N 2.94Å
224	R	93	Very high	92.9	Very high	134 Å²	134	54 Å²	54	51%	0.506	26%	0.262	S	S	.	.	H	α-helix	trans	-61	-26.2	176.2	-173.6	174.6	71.9	107.3	-6	112.9	V220 D221 Q222 R228	V220-R224 WeakPolarHBondContact O-CB 3.33Å; V220-R224 PolarHBondContact O-N 3.1Å; D221-R224 PolarHBondContact O-N 2.84Å; D221-R224 IonicContact OD1-CZ 3.34Å; D221-R224 VanDerWaalsContact OD1-CZ 3.23Å; D221-R224 IonicContact OD1-NE 2.65Å; D221-R224 PolarHBondContact OD1-NE 3.3Å; D221-R224 IonicContact OD1-NH2 2.72Å; D221-R224 PolarHBondContact OD1-NH2 3.01Å; Q222-R224 PolarHBondContact O-N 3.01Å; R224-R228 WeakPolarHBondContact O-CG 3.45Å; R224-R228 PolarHBondContact O-NE 3.46Å; R224-R228 PolarHBondContact O-NH2 2.97Å
225	H	90.9	Very high	92.9	Very high	40 Å²	40	53.9 Å²	53.9	19%	0.185	26%	0.263	C	S	.	.	H	α-helix	trans	-75	-50.9	172.6	-179.3	3.6	0	0	0	111.3	D221 Q222 H223 E227 R228 T229	D221-H225 WeakPolarHBondContact O-CB 3.48Å; D221-H225 PolarHBondContact O-N 2.71Å; Q222-H225 WeakPolarHBondContact O-CB 3.21Å; Q222-H225 PolarHBondContact O-N 2.62Å; Q222-H225 VanDerWaalsContact O-N 3.11Å; H223-H225 PolarHBondContact O-N 3.33Å; H225-E227 VanDerWaalsContact C-N 3.29Å; H225-E227 PolarHBondContact O-N 3.12Å; H225-R228 PolarHBondContact O-N 2.81Å; H225-T229 PolarHBondContact CE1-OG1 3.26Å; H225-T229 VanDerWaalsContact CE1-OG1 3.31Å; H225-T229 PolarHBondContact ND1-OG1 3.03Å; H225-T229 VanDerWaalsContact ND1-OG1 3.13Å; H225-T229 WeakPolarHBondContact O-CB 3.25Å; H225-T229 PolarHBondContact O-N 2.89Å; H225-T229 PolarHBondContact O-OG1 3.43Å; H225-T229 VanDerWaalsContact O-OG1 3.12Å
226	I	91.2	Very high	92.8	Very high	2 Å²	2	53.9 Å²	53.9	1%	0.01	26%	0.262	C	S	.	.	H	α-helix	trans	-56.1	-43.9	177.8	-67	164	0	0	0	110.9	L131 V138 K142 H145 Q222 H223 T229 L230	L131-I226 HydrophobicContact CD1-CB 4.5Å; L131-I226 HydrophobicContact CD1-CG1 3.8Å; L131-I226 HydrophobicContact CD2-CD1 4.36Å; L131-I226 HydrophobicContact CD2-CG1 3.79Å; L131-I226 HydrophobicContact CG-CG1 4.47Å; V138-I226 HydrophobicContact CG1-CG2 3.93Å; K142-I226 HydrophobicContact CB-CG2 3.6Å; K142-I226 HydrophobicContact CG-CG2 4.06Å; H145-I226 HydrophobicContact CB-CD1 3.82Å; Q222-I226 HydrophobicContact CG-CD1 4.04Å; Q222-I226 WeakPolarHBondContact O-CG1 3.19Å; Q222-I226 PolarHBondContact O-N 2.95Å; H223-I226 PolarHBondContact O-N 3.03Å; I226-T229 PolarHBondContact O-N 2.91Å; I226-L230 WeakPolarHBondContact O-CB 3.31Å; I226-L230 PolarHBondContact O-N 2.91Å
227	E	92.5	Very high	92.8	Very high	68 Å²	68	54.3 Å²	54.3	32%	0.318	26%	0.261	S	S	.	.	H	α-helix	trans	-62.7	-48.4	178.4	-65	-154.4	115.4	0	0	112.7	K142 H223 H225 T229 L230 E231	K142-E227 HydrophobicContact CD-CG 4.49Å; K142-E227 WeakPolarHBondContact CE-OE1 3.43Å; K142-E227 IonicContact NZ-OE1 3.21Å; K142-E227 PolarHBondContact NZ-OE1 2.92Å; H223-E227 IonicContact NE2-OE1 2.68Å; H223-E227 IonicContact NE2-OE2 3.08Å; H223-E227 WeakPolarHBondContact O-CG 3.43Å; H223-E227 PolarHBondContact O-N 2.94Å; H225-E227 VanDerWaalsContact C-N 3.29Å; H225-E227 PolarHBondContact O-N 3.12Å; E227-T229 VanDerWaalsContact C-N 3.34Å; E227-T229 PolarHBondContact O-N 3.14Å; E227-L230 PolarHBondContact O-N 2.92Å; E227-E231 WeakPolarHBondContact O-CG 3.41Å; E227-E231 PolarHBondContact O-N 2.99Å
228	R	91.6	Very high	92.7	Very high	109 Å²	109	53.6 Å²	53.6	41%	0.411	26%	0.259	S	S	.	.	H	α-helix	trans	-62.3	-40.4	176.9	-77.4	176.3	-71.3	135.8	0.5	112.5	R224 H225 E231 Q232	R224-R228 WeakPolarHBondContact O-CG 3.45Å; R224-R228 PolarHBondContact O-NE 3.46Å; R224-R228 PolarHBondContact O-NH2 2.97Å; H225-R228 PolarHBondContact O-N 2.81Å; R228-E231 PolarHBondContact O-N 3.34Å; R228-Q232 WeakPolarHBondContact O-CB 3.32Å; R228-Q232 WeakPolarHBondContact O-CG 3.35Å; R228-Q232 PolarHBondContact O-N 3.03Å
229	T	91.9	Very high	92.7	Very high	1 Å²	1	51.2 Å²	51.2	1%	0.006	26%	0.255	C	S	.	.	H	α-helix	trans	-63.4	-42	177.2	-67.4	0	0	0	0	111.2	L131 V138 H225 I226 E227 Q232 L233 L299 V304	L131-T229 HydrophobicContact CD1-CG2 4.29Å; V138-T229 HydrophobicContact CG1-CG2 4.32Å; V138-T229 HydrophobicContact CG2-CG2 4.22Å; H225-T229 PolarHBondContact CE1-OG1 3.26Å; H225-T229 VanDerWaalsContact CE1-OG1 3.31Å; H225-T229 PolarHBondContact ND1-OG1 3.03Å; H225-T229 VanDerWaalsContact ND1-OG1 3.13Å; H225-T229 WeakPolarHBondContact O-CB 3.25Å; H225-T229 PolarHBondContact O-N 2.89Å; H225-T229 PolarHBondContact O-OG1 3.43Å; H225-T229 VanDerWaalsContact O-OG1 3.12Å; I226-T229 PolarHBondContact O-N 2.91Å; E227-T229 VanDerWaalsContact C-N 3.34Å; E227-T229 PolarHBondContact O-N 3.14Å; T229-Q232 PolarHBondContact O-N 3.22Å; T229-L233 HydrophobicContact CG2-CD1 3.97Å; T229-L233 WeakPolarHBondContact O-CB 3.43Å; T229-L233 VanDerWaalsContact O-CG 3.26Å; T229-L233 WeakPolarHBondContact O-CG 3.25Å; T229-L233 PolarHBondContact O-N 3.33Å; T229-L299 HydrophobicContact CG2-CD2 4.17Å; T229-V304 HydrophobicContact CG2-CB 4.42Å; T229-V304 HydrophobicContact CG2-CG1 3.84Å; T229-V304 HydrophobicContact CG2-CG2 3.99Å
230	L	92.8	Very high	92.8	Very high	13 Å²	13	51.5 Å²	51.5	7%	0.068	26%	0.256	C	S	.	.	H	α-helix	trans	-64.3	-44.2	175	-175.5	64.3	0	0	0	112	V135 V138 Q139 K142 I226 E227 L233 L234	V135-L230 HydrophobicContact CG1-CD1 4.03Å; V138-L230 HydrophobicContact CB-CD1 4.3Å; V138-L230 HydrophobicContact CG1-CB 3.89Å; V138-L230 HydrophobicContact CG1-CD1 4.26Å; Q139-L230 HydrophobicContact CB-CD1 4.44Å; K142-L230 HydrophobicContact CD-CD2 3.97Å; I226-L230 WeakPolarHBondContact O-CB 3.31Å; I226-L230 PolarHBondContact O-N 2.91Å; E227-L230 PolarHBondContact O-N 2.92Å; L230-L233 PolarHBondContact O-N 3.17Å; L230-L234 HydrophobicContact CD1-CD1 4.38Å; L230-L234 HydrophobicContact CG-CD1 4.11Å; L230-L234 WeakPolarHBondContact O-CB 3.17Å; L230-L234 VanDerWaalsContact O-CG 3.3Å; L230-L234 WeakPolarHBondContact O-CG 3.43Å; L230-L234 PolarHBondContact O-N 3.37Å
231	E	92.9	Very high	92.8	Very high	128 Å²	128	53.9 Å²	53.9	60%	0.598	26%	0.261	S	S	*	.	H	α-helix	trans	-59.2	-47.8	175.9	-72.9	172.7	161.7	0	0	111.6	E227 R228 L234 E235	E227-E231 WeakPolarHBondContact O-CG 3.41Å; E227-E231 PolarHBondContact O-N 2.99Å; R228-E231 PolarHBondContact O-N 3.34Å; E231-L234 PolarHBondContact O-N 3.46Å; E231-E235 WeakPolarHBondContact O-CB 3.35Å; E231-E235 PolarHBondContact O-N 2.97Å
232	Q	92.8	Very high	92.8	Very high	36 Å²	36	56.8 Å²	56.8	17%	0.168	27%	0.272	C	S	.	.	H	α-helix	trans	-65.5	-38.7	178.5	-72.8	178.5	-52.6	0	0	113	R228 T229 E235 I236 L295 L299	R228-Q232 WeakPolarHBondContact O-CB 3.32Å; R228-Q232 WeakPolarHBondContact O-CG 3.35Å; R228-Q232 PolarHBondContact O-N 3.03Å; T229-Q232 PolarHBondContact O-N 3.22Å; Q232-E235 PolarHBondContact O-N 3.24Å; Q232-I236 WeakPolarHBondContact O-CB 3.4Å; Q232-I236 VanDerWaalsContact O-CG1 3.25Å; Q232-I236 WeakPolarHBondContact O-CG1 3.38Å; Q232-I236 PolarHBondContact O-N 3.12Å; Q232-L295 HydrophobicContact CG-CD2 4.47Å; Q232-L299 HydrophobicContact CB-CD1 4.49Å; Q232-L299 HydrophobicContact CB-CD2 3.99Å; Q232-L299 HydrophobicContact CB-CG 4.32Å
233	L	92.8	Very high	93	Very high	1 Å²	1	56.3 Å²	56.3	1%	0.005	27%	0.27	C	S	.	.	H	α-helix	trans	-66.2	-39.3	175.9	-74.2	168	0	0	0	112	V135 V138 T229 L230 Q237 L299 L306	V135-L233 HydrophobicContact CG2-CB 3.65Å; V138-L233 HydrophobicContact CB-CD1 4.41Å; V138-L233 HydrophobicContact CG2-CD1 3.72Å; T229-L233 HydrophobicContact CG2-CD1 3.97Å; T229-L233 WeakPolarHBondContact O-CB 3.43Å; T229-L233 VanDerWaalsContact O-CG 3.26Å; T229-L233 WeakPolarHBondContact O-CG 3.25Å; T229-L233 PolarHBondContact O-N 3.33Å; L230-L233 PolarHBondContact O-N 3.17Å; L233-Q237 WeakPolarHBondContact O-CG 3.35Å; L233-Q237 PolarHBondContact O-N 3.12Å; L233-L299 HydrophobicContact CD2-CD1 3.6Å; L233-L299 HydrophobicContact CG-CD1 3.98Å; L233-L306 HydrophobicContact CD2-CD2 3.56Å
234	L	93.2	Very high	93.1	Very high	92 Å²	92	56.3 Å²	56.3	48%	0.482	28%	0.275	S	S	.	.	H	α-helix	trans	-67.4	-40.7	175	-73.1	168	0	0	0	112.1	V135 L230 E231 Q237 G238	V135-L234 HydrophobicContact CG1-CD2 3.72Å; V135-L234 HydrophobicContact CG1-CG 4.27Å; V135-L234 HydrophobicContact CG2-CD2 4.24Å; V135-L234 HydrophobicContact CG2-CG 4.4Å; L230-L234 HydrophobicContact CD1-CD1 4.38Å; L230-L234 HydrophobicContact CG-CD1 4.11Å; L230-L234 WeakPolarHBondContact O-CB 3.17Å; L230-L234 VanDerWaalsContact O-CG 3.3Å; L230-L234 WeakPolarHBondContact O-CG 3.43Å; L230-L234 PolarHBondContact O-N 3.37Å; E231-L234 PolarHBondContact O-N 3.46Å; L234-Q237 PolarHBondContact O-N 3.31Å; L234-G238 PolarHBondContact O-N 3.21Å
235	E	94.1	Very high	93.1	Very high	97 Å²	97	53.6 Å²	53.6	45%	0.453	27%	0.273	S	S	.	.	H	α-helix	trans	-62.8	-44.8	175	-172	176.9	-169.7	0	0	111.4	E231 Q232 A239 L295	E231-E235 WeakPolarHBondContact O-CB 3.35Å; E231-E235 PolarHBondContact O-N 2.97Å; Q232-E235 PolarHBondContact O-N 3.24Å; E235-A239 VanDerWaalsContact O-CB 3.24Å; E235-A239 WeakPolarHBondContact O-CB 3.16Å; E235-A239 PolarHBondContact O-N 3.3Å; E235-L295 HydrophobicContact CB-CD1 4.34Å; E235-L295 HydrophobicContact CG-CD1 3.78Å
236	I	93.2	Very high	93.2	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-57.4	-50.8	174	-75.9	169.4	0	0	0	111.1	Q232 M240 V292 L295 A296 L299 L306	Q232-I236 WeakPolarHBondContact O-CB 3.4Å; Q232-I236 VanDerWaalsContact O-CG1 3.25Å; Q232-I236 WeakPolarHBondContact O-CG1 3.38Å; Q232-I236 PolarHBondContact O-N 3.12Å; I236-M240 HydrophobicContact CG2-CG 4.46Å; I236-M240 HydrophobicContact CG2-SD 3.52Å; I236-M240 VanDerWaalsContact CG2-SD 3.52Å; I236-M240 VanDerWaalsContact O-CB 3.31Å; I236-M240 WeakPolarHBondContact O-CB 3.5Å; I236-M240 WeakPolarHBondContact O-CG 3.35Å; I236-M240 PolarHBondContact O-N 2.99Å; I236-V292 HydrophobicContact CG2-CG1 4.13Å; I236-L295 HydrophobicContact CD1-CB 3.84Å; I236-L295 HydrophobicContact CG1-CB 3.64Å; I236-L295 HydrophobicContact CG1-CD1 4.16Å; I236-A296 HydrophobicContact CD1-CB 4.38Å; I236-L299 HydrophobicContact CD1-CD1 3.48Å; I236-L299 VanDerWaalsContact CD1-CD1 3.48Å; I236-L299 HydrophobicContact CD1-CG 4.42Å; I236-L306 HydrophobicContact CD1-CD2 4.29Å
237	Q	92.5	Very high	93.3	Very high	57 Å²	57	53.7 Å²	53.7	27%	0.266	28%	0.277	S	S	.	.	H	α-helix	trans	-64.1	-47	-178	-75.7	-171.2	-30.5	0	0	112.2	L233 L234 A239 M240 E241 N310	L233-Q237 WeakPolarHBondContact O-CG 3.35Å; L233-Q237 PolarHBondContact O-N 3.12Å; L234-Q237 PolarHBondContact O-N 3.31Å; Q237-A239 PolarHBondContact O-N 3.13Å; Q237-M240 PolarHBondContact O-N 3.11Å; Q237-E241 PolarHBondContact O-N 2.86Å; Q237-N310 PolarHBondContact NE2-ND2 3.2Å; Q237-N310 PolarHBondContact NE2-OD1 3.06Å
238	G	92.9	Very high	93.4	Very high	39 Å²	39	53.2 Å²	53.2	40%	0.402	28%	0.281	S	S	.	.	H	α-helix	trans	-61.1	-45	178.2	0	0	0	0	0	113	L234 M240 E241 E242	L234-G238 PolarHBondContact O-N 3.21Å; G238-M240 VanDerWaalsContact C-N 3.34Å; G238-M240 PolarHBondContact O-N 2.91Å; G238-E241 PolarHBondContact O-N 3.47Å; G238-E242 PolarHBondContact O-N 2.92Å; G238-E242 VanDerWaalsContact O-N 3.09Å
239	A	93.9	Very high	93.4	Very high	21 Å²	21	54.3 Å²	54.3	17%	0.174	29%	0.291	C	S	.	.	H	α-helix	trans	-66.8	-33.4	176.6	0	0	0	0	0	112.5	E235 Q237 L243 V292	E235-A239 VanDerWaalsContact O-CB 3.24Å; E235-A239 WeakPolarHBondContact O-CB 3.16Å; E235-A239 PolarHBondContact O-N 3.3Å; Q237-A239 PolarHBondContact O-N 3.13Å; A239-L243 VanDerWaalsContact O-CB 3.3Å; A239-L243 WeakPolarHBondContact O-CB 3.44Å; A239-L243 WeakPolarHBondContact O-CG 3.39Å; A239-L243 PolarHBondContact O-N 3.43Å; A239-V292 HydrophobicContact CB-CG2 3.5Å; A239-V292 VanDerWaalsContact CB-CG2 3.5Å
240	M	95.1	Very high	93.4	Very high	13 Å²	13	54.3 Å²	54.3	6%	0.064	29%	0.291	C	S	.	.	H	α-helix	trans	-67.2	-37.2	173.8	-77.2	172.5	48.5	0	0	112.9	I236 Q237 G238 S244 V292 N310 A313 L314 I317	I236-M240 HydrophobicContact CG2-CG 4.46Å; I236-M240 HydrophobicContact CG2-SD 3.52Å; I236-M240 VanDerWaalsContact CG2-SD 3.52Å; I236-M240 VanDerWaalsContact O-CB 3.31Å; I236-M240 WeakPolarHBondContact O-CB 3.5Å; I236-M240 WeakPolarHBondContact O-CG 3.35Å; I236-M240 PolarHBondContact O-N 2.99Å; Q237-M240 PolarHBondContact O-N 3.11Å; G238-M240 VanDerWaalsContact C-N 3.34Å; G238-M240 PolarHBondContact O-N 2.91Å; M240-S244 VanDerWaalsContact O-CB 3.24Å; M240-S244 WeakPolarHBondContact O-CB 3.26Å; M240-S244 PolarHBondContact O-N 3.26Å; M240-V292 HydrophobicContact CG-CG1 3.64Å; M240-V292 HydrophobicContact CG-CG2 4.47Å; M240-V292 HydrophobicContact SD-CG1 3.95Å; M240-N310 WeakPolarHBondContact CE-O 3.42Å; M240-A313 HydrophobicContact CE-CB 3.45Å; M240-A313 VanDerWaalsContact CE-CB 3.45Å; M240-L314 HydrophobicContact CE-CB 4.2Å; M240-L314 HydrophobicContact SD-CB 4.11Å; M240-I317 HydrophobicContact CB-CD1 3.7Å; M240-I317 HydrophobicContact CE-CD1 4.33Å; M240-I317 HydrophobicContact CG-CD1 3.8Å; M240-I317 WeakPolarHBondContact O-CD1 3.44Å
241	E	94	Very high	93.5	Very high	142 Å²	142	56.4 Å²	56.4	66%	0.664	30%	0.3	S	S	*	.	H	α-helix	trans	-66.5	-44.4	173.8	-71	-174.8	176.3	0	0	111.9	Q237 G238 S244 T245	Q237-E241 PolarHBondContact O-N 2.86Å; G238-E241 PolarHBondContact O-N 3.47Å; E241-S244 PolarHBondContact O-N 3.37Å; E241-T245 WeakPolarHBondContact O-CG2 3.39Å; E241-T245 PolarHBondContact O-N 2.95Å; E241-T245 PolarHBondContact O-OG1 2.87Å; E241-T245 VanDerWaalsContact O-OG1 3.07Å
242	E	93.5	Very high	93.5	Very high	137 Å²	137	52.2 Å²	52.2	64%	0.64	29%	0.291	S	S	*	.	H	α-helix	trans	-62.9	-44.2	175.7	-172.2	172.5	-172.4	0	0	111.8	G238 S244 T245 T246	G238-E242 PolarHBondContact O-N 2.92Å; G238-E242 VanDerWaalsContact O-N 3.09Å; E242-S244 PolarHBondContact O-N 2.87Å; E242-T245 PolarHBondContact O-N 3.39Å; E242-T245 PolarHBondContact O-OG1 2.86Å; E242-T246 WeakPolarHBondContact O-CB 3.47Å; E242-T246 WeakPolarHBondContact O-CG2 3.43Å; E242-T246 PolarHBondContact O-N 3.44Å; E242-T246 PolarHBondContact O-OG1 3.44Å
243	L	94.4	Very high	93.4	Very high	10 Å²	10	53.7 Å²	53.7	5%	0.052	30%	0.303	C	S	.	.	H	α-helix	trans	-63.6	-40.3	174.4	-73.8	171.8	0	0	0	112.4	A239 T246 L247 M285 V289 V292 I317	A239-L243 VanDerWaalsContact O-CB 3.3Å; A239-L243 WeakPolarHBondContact O-CB 3.44Å; A239-L243 WeakPolarHBondContact O-CG 3.39Å; A239-L243 PolarHBondContact O-N 3.43Å; L243-T246 WeakPolarHBondContact CA-OG1 3.4Å; L243-T246 PolarHBondContact O-OG1 2.95Å; L243-L247 WeakPolarHBondContact O-CB 3.41Å; L243-L247 WeakPolarHBondContact O-CD1 3.37Å; L243-L247 VanDerWaalsContact O-CG 3.24Å; L243-L247 WeakPolarHBondContact O-CG 3.29Å; L243-L247 PolarHBondContact O-N 3.01Å; L243-M285 HydrophobicContact CD2-CG 4.02Å; L243-V289 HydrophobicContact CD1-CG2 3.99Å; L243-V289 HydrophobicContact CD2-CG2 3.94Å; L243-V292 HydrophobicContact CD1-CG2 3.79Å; L243-I317 HydrophobicContact CB-CG2 4.2Å; L243-I317 HydrophobicContact CD1-CG2 4.26Å
244	S	94.9	Very high	93.4	Very high	42 Å²	42	58.5 Å²	58.5	29%	0.294	32%	0.321	S	S	.	.	H	α-helix	trans	-68.6	-39.4	179.8	-170.3	0	0	0	0	112.2	M240 E241 E242 S248 R320	M240-S244 VanDerWaalsContact O-CB 3.24Å; M240-S244 WeakPolarHBondContact O-CB 3.26Å; M240-S244 PolarHBondContact O-N 3.26Å; E241-S244 PolarHBondContact O-N 3.37Å; E242-S244 PolarHBondContact O-N 2.87Å; S244-S248 WeakPolarHBondContact O-CB 3.43Å; S244-S248 PolarHBondContact O-N 3.22Å; S244-S248 VanDerWaalsContact O-N 3.09Å; S244-S248 PolarHBondContact O-OG 3.44Å; S244-R320 PolarHBondContact OG-NH1 3.04Å
245	T	93.8	Very high	93.3	Very high	78 Å²	78	58.2 Å²	58.2	48%	0.479	33%	0.331	S	S	.	.	H	α-helix	trans	-68.9	-44	176.4	53.2	0	0	0	0	111.9	E241 E242 S248 Q249	E241-T245 WeakPolarHBondContact O-CG2 3.39Å; E241-T245 PolarHBondContact O-N 2.95Å; E241-T245 PolarHBondContact O-OG1 2.87Å; E241-T245 VanDerWaalsContact O-OG1 3.07Å; E242-T245 PolarHBondContact O-N 3.39Å; E242-T245 PolarHBondContact O-OG1 2.86Å; T245-S248 PolarHBondContact O-N 3.46Å; T245-Q249 WeakPolarHBondContact O-CG 3.43Å; T245-Q249 PolarHBondContact O-N 2.95Å; T245-Q249 VanDerWaalsContact O-N 3.14Å
246	T	92.4	Very high	93.3	Very high	43 Å²	43	58.6 Å²	58.6	26%	0.264	34%	0.341	S	S	.	.	H	α-helix	trans	-68	-38.7	177	52.2	0	0	0	0	112.7	E242 L243 S248 Q249 A250 M285	E242-T246 WeakPolarHBondContact O-CB 3.47Å; E242-T246 WeakPolarHBondContact O-CG2 3.43Å; E242-T246 PolarHBondContact O-N 3.44Å; E242-T246 PolarHBondContact O-OG1 3.44Å; L243-T246 WeakPolarHBondContact CA-OG1 3.4Å; L243-T246 PolarHBondContact O-OG1 2.95Å; T246-S248 VanDerWaalsContact C-N 3.3Å; T246-S248 PolarHBondContact O-N 3.27Å; T246-Q249 PolarHBondContact O-N 3.5Å; T246-A250 PolarHBondContact O-N 2.98Å; T246-M285 WeakPolarHBondContact OG1-CE 3.49Å
247	L	93.9	Very high	93.3	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-58.2	-42.8	170.7	-83.9	167.5	0	0	0	111.5	L243 Q249 A250 E251 M285 I317 R320 W321 L324	L243-L247 WeakPolarHBondContact O-CB 3.41Å; L243-L247 WeakPolarHBondContact O-CD1 3.37Å; L243-L247 VanDerWaalsContact O-CG 3.24Å; L243-L247 WeakPolarHBondContact O-CG 3.29Å; L243-L247 PolarHBondContact O-N 3.01Å; L247-Q249 VanDerWaalsContact C-N 3.31Å; L247-Q249 PolarHBondContact O-N 3.46Å; L247-A250 PolarHBondContact O-N 3.4Å; L247-E251 WeakPolarHBondContact O-CB 3.36Å; L247-E251 WeakPolarHBondContact O-CG 3.31Å; L247-E251 PolarHBondContact O-N 2.96Å; L247-M285 HydrophobicContact CB-CE 4.49Å; L247-M285 HydrophobicContact CD2-CE 4.26Å; L247-M285 HydrophobicContact CD2-SD 3.51Å; L247-M285 VanDerWaalsContact CD2-SD 3.51Å; L247-M285 HydrophobicContact CG-CE 4.1Å; L247-M285 HydrophobicContact CG-SD 3.85Å; L247-M285 VanDerWaalsContact N-CE 3.35Å; L247-I317 HydrophobicContact CD1-CB 4.4Å; L247-I317 HydrophobicContact CD1-CG1 4.45Å; L247-I317 HydrophobicContact CD1-CG2 3.98Å; L247-R320 HydrophobicContact CD1-CB 4.13Å; L247-R320 HydrophobicContact CD2-CB 4.43Å; L247-W321 HydrophobicContact CD2-CB 4.24Å; L247-W321 HydrophobicContact CD2-CE3 4.32Å; L247-L324 HydrophobicContact CD2-CD2 3.98Å
248	S	94.4	Very high	93.2	Very high	58 Å²	58	64.3 Å²	64.3	41%	0.406	37%	0.365	S	S	.	.	H	α-helix	trans	-65.8	-33.9	-179.6	-53.7	0	0	0	0	112.3	S244 T245 T246 G252 R320	S244-S248 WeakPolarHBondContact O-CB 3.43Å; S244-S248 PolarHBondContact O-N 3.22Å; S244-S248 VanDerWaalsContact O-N 3.09Å; S244-S248 PolarHBondContact O-OG 3.44Å; T245-S248 PolarHBondContact O-N 3.46Å; T246-S248 VanDerWaalsContact C-N 3.3Å; T246-S248 PolarHBondContact O-N 3.27Å; S248-G252 PolarHBondContact O-N 3.35Å; S248-G252 VanDerWaalsContact O-N 3.1Å; S248-R320 PolarHBondContact OG-NH2 3.12Å
249	Q	92.4	Very high	93.1	Very high	133 Å²	133	66.3 Å²	66.3	62%	0.621	37%	0.371	S	S	*	.	H	α-helix	trans	-67.9	-44	172.3	-66.5	170	26.4	0	0	111.4	T245 T246 L247 G252 V253	T245-Q249 WeakPolarHBondContact O-CG 3.43Å; T245-Q249 PolarHBondContact O-N 2.95Å; T245-Q249 VanDerWaalsContact O-N 3.14Å; T246-Q249 PolarHBondContact O-N 3.5Å; L247-Q249 VanDerWaalsContact C-N 3.31Å; L247-Q249 PolarHBondContact O-N 3.46Å; Q249-G252 WeakPolarHBondContact O-CA 3.5Å; Q249-G252 PolarHBondContact O-N 2.93Å; Q249-G252 VanDerWaalsContact O-N 3.15Å; Q249-V253 PolarHBondContact O-N 2.99Å; Q249-V253 VanDerWaalsContact O-N 3.08Å
250	A	92.4	Very high	92.8	Very high	1 Å²	1	67 Å²	67	1%	0.008	37%	0.371	C	S	.	.	H	α-helix	trans	-64.9	-41.7	178.9	0	0	0	0	0	112.9	T246 L247 G252 V253 R254 F282 M285 L324	T246-A250 PolarHBondContact O-N 2.98Å; L247-A250 PolarHBondContact O-N 3.4Å; A250-G252 VanDerWaalsContact C-N 3.28Å; A250-G252 PolarHBondContact O-N 3.18Å; A250-V253 PolarHBondContact O-N 2.89Å; A250-R254 PolarHBondContact O-N 3.03Å; A250-F282 HydrophobicContact CB-CD1 4.2Å; A250-F282 HydrophobicContact CB-CE1 3.4Å; A250-F282 VanDerWaalsContact CB-CE1 3.4Å; A250-F282 HydrophobicContact CB-CE2 4.19Å; A250-F282 HydrophobicContact CB-CZ 3.42Å; A250-F282 VanDerWaalsContact CB-CZ 3.42Å; A250-M285 HydrophobicContact CB-CE 4.49Å; A250-L324 HydrophobicContact CB-CD1 4.32Å; A250-L324 HydrophobicContact CB-CD2 3.55Å
251	E	93.8	Very high	92.3	Very high	57 Å²	57	70.2 Å²	70.2	27%	0.266	41%	0.407	S	S	.	.	H	α-helix	trans	-62.3	-35.5	171.6	-73.2	167.7	177.9	0	0	111.7	L247 R254 A255 R320	L247-E251 WeakPolarHBondContact O-CB 3.36Å; L247-E251 WeakPolarHBondContact O-CG 3.31Å; L247-E251 PolarHBondContact O-N 2.96Å; E251-R254 WeakPolarHBondContact O-CB 3.3Å; E251-R254 PolarHBondContact O-N 3.43Å; E251-A255 WeakPolarHBondContact O-CB 3.46Å; E251-A255 PolarHBondContact O-N 2.92Å; E251-R320 WeakPolarHBondContact OE1-CB 3.35Å; E251-R320 IonicContact OE1-CZ 3.61Å; E251-R320 IonicContact OE1-NE 2.74Å; E251-R320 PolarHBondContact OE1-NE 2.7Å; E251-R320 IonicContact OE1-NH2 2.72Å; E251-R320 PolarHBondContact OE1-NH2 3.44Å; E251-R320 IonicContact OE2-CZ 3.71Å; E251-R320 IonicContact OE2-NE 3.7Å; E251-R320 PolarHBondContact OE2-NE 3.19Å; E251-R320 IonicContact OE2-NH2 2.82Å; E251-R320 PolarHBondContact OE2-NH2 3.27Å
252	G	93.4	Very high	92	Very high	39 Å²	39	69 Å²	69	40%	0.402	41%	0.406	S	S	.	.	H	α-helix	trans	-60.6	-45.4	171.8	0	0	0	0	0	113.2	S248 Q249 A250 A255 T256	S248-G252 PolarHBondContact O-N 3.35Å; S248-G252 VanDerWaalsContact O-N 3.1Å; Q249-G252 WeakPolarHBondContact O-CA 3.5Å; Q249-G252 PolarHBondContact O-N 2.93Å; Q249-G252 VanDerWaalsContact O-N 3.15Å; A250-G252 VanDerWaalsContact C-N 3.28Å; A250-G252 PolarHBondContact O-N 3.18Å; G252-A255 WeakPolarHBondContact O-CB 3.36Å; G252-A255 PolarHBondContact O-N 3.35Å; G252-T256 PolarHBondContact O-N 2.95Å
253	V	91.4	Very high	91.7	Very high	68 Å²	68	63.6 Å²	63.6	41%	0.412	38%	0.381	S	S	.	.	H	α-helix	trans	-70.1	-35.6	176.1	-179.6	0	0	0	0	111.8	Q249 A250 A255 T256 W257 F278	Q249-V253 PolarHBondContact O-N 2.99Å; Q249-V253 VanDerWaalsContact O-N 3.08Å; A250-V253 PolarHBondContact O-N 2.89Å; V253-A255 PolarHBondContact O-N 3.42Å; V253-T256 PolarHBondContact O-N 2.65Å; V253-T256 VanDerWaalsContact O-N 3.17Å; V253-T256 PolarHBondContact O-OG1 3.02Å; V253-W257 VanDerWaalsContact O-CD1 3.25Å; V253-W257 PolarHBondContact O-NE1 3.42Å; V253-F278 HydrophobicContact CB-CE2 3.54Å; V253-F278 HydrophobicContact CB-CZ 3.88Å; V253-F278 HydrophobicContact CG1-CD2 3.98Å; V253-F278 HydrophobicContact CG1-CE2 3.33Å; V253-F278 HydrophobicContact CG1-CZ 3.92Å; V253-F278 HydrophobicContact CG2-CE2 4.15Å
254	R	92.1	Very high	91.3	Very high	102 Å²	102	71 Å²	71	39%	0.385	41%	0.413	S	S	.	.	H	α-helix	trans	-58.5	-36.9	170.4	176.7	-173.3	170.9	-146	1.2	111.6	A250 E251 T256 W257 L324 S327	A250-R254 PolarHBondContact O-N 3.03Å; E251-R254 WeakPolarHBondContact O-CB 3.3Å; E251-R254 PolarHBondContact O-N 3.43Å; R254-T256 PolarHBondContact O-N 3.37Å; R254-W257 HydrophobicContact CB-CH2 4.39Å; R254-W257 HydrophobicContact CB-CZ2 4.37Å; R254-W257 HydrophobicContact CG-CD2 4.45Å; R254-W257 HydrophobicContact CG-CE3 4.04Å; R254-W257 HydrophobicContact CG-CH2 4.21Å; R254-W257 HydrophobicContact CG-CZ3 3.92Å; R254-W257 PolarHBondContact O-N 2.83Å; R254-L324 HydrophobicContact CB-CD1 4.43Å; R254-S327 PolarHBondContact NE-OG 3.5Å; R254-S327 PolarHBondContact NH2-OG 3.35Å
255	A	91.9	Very high	90.8	Very high	85 Å²	85	72.5 Å²	72.5	70%	0.702	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-13.5	179.5	0	0	0	0	0	114.1	E251 G252 V253	E251-A255 WeakPolarHBondContact O-CB 3.46Å; E251-A255 PolarHBondContact O-N 2.92Å; G252-A255 WeakPolarHBondContact O-CB 3.36Å; G252-A255 PolarHBondContact O-N 3.35Å; V253-A255 PolarHBondContact O-N 3.42Å
256	T	92.8	Very high	90.2	Very high	106 Å²	106	74.8 Å²	74.8	65%	0.65	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.8	9.4	174	65.9	0	0	0	0	113.6	G252 V253 R254 E258	G252-T256 PolarHBondContact O-N 2.95Å; V253-T256 PolarHBondContact O-N 2.65Å; V253-T256 VanDerWaalsContact O-N 3.17Å; V253-T256 PolarHBondContact O-OG1 3.02Å; R254-T256 PolarHBondContact O-N 3.37Å; T256-E258 PolarHBondContact O-N 3.24Å
257	W	92.8	Very high	90	Very high	57 Å²	57	74.2 Å²	74.2	22%	0.216	42%	0.424	C	S	.	.			trans	-80	110.2	177.8	-64.5	-9	0	0	0	112	V253 R254 I275 F278 V328 R331	V253-W257 VanDerWaalsContact O-CD1 3.25Å; V253-W257 PolarHBondContact O-NE1 3.42Å; R254-W257 HydrophobicContact CB-CH2 4.39Å; R254-W257 HydrophobicContact CB-CZ2 4.37Å; R254-W257 HydrophobicContact CG-CD2 4.45Å; R254-W257 HydrophobicContact CG-CE3 4.04Å; R254-W257 HydrophobicContact CG-CH2 4.21Å; R254-W257 HydrophobicContact CG-CZ3 3.92Å; R254-W257 PolarHBondContact O-N 2.83Å; W257-I275 HydrophobicContact CD2-CD1 4.18Å; W257-I275 VanDerWaalsContact CE2-CD1 3.49Å; W257-I275 HydrophobicContact CH2-CD1 4.21Å; W257-I275 HydrophobicContact CZ2-CD1 3.52Å; W257-F278 HydrophobicContact CH2-CE1 4.32Å; W257-F278 AromaticContact CZ2-CD1 3.97Å; W257-F278 HydrophobicContact CZ2-CD1 3.97Å; W257-F278 AromaticContact CZ2-CE1 3.64Å; W257-F278 HydrophobicContact CZ2-CE1 3.64Å; W257-F278 HydrophobicContact CZ2-CZ 4.3Å; W257-V328 HydrophobicContact CH2-CB 4.42Å; W257-V328 HydrophobicContact CH2-CG2 3.82Å; W257-V328 HydrophobicContact CZ2-CG2 4.42Å; W257-R331 HydrophobicContact CD2-CG 4.21Å; W257-R331 HydrophobicContact CE3-CB 3.88Å; W257-R331 HydrophobicContact CE3-CG 3.66Å; W257-R331 HydrophobicContact CH2-CB 4.23Å; W257-R331 HydrophobicContact CH2-CG 4.45Å; W257-R331 HydrophobicContact CZ3-CB 3.53Å; W257-R331 HydrophobicContact CZ3-CG 3.79Å
258	E	91.3	Very high	89.7	Confident	119 Å²	119	74.5 Å²	74.5	56%	0.556	43%	0.426	S	S	*	.			trans	-60.8	150.3	175.3	-62.9	169.2	140.3	0	0	112.1	T256 L263 R331	T256-E258 PolarHBondContact O-N 3.24Å; E258-L263 HydrophobicContact CB-CD2 4.13Å; E258-R331 PolarHBondContact O-NH1 3.4Å; E258-R331 PolarHBondContact O-NH2 2.94Å
259	P	91	Very high	89.5	Confident	82 Å²	82	74.3 Å²	74.3	53%	0.532	42%	0.423	S	S	.	.			trans	-58.9	143.4	173.6	-21.4	33.3	0	0	0	112.1	G261 D262	P259-G261 PolarHBondContact O-N 3.02Å; P259-D262 WeakPolarHBondContact CB-OD2 3.17Å; P259-D262 VanDerWaalsContact CD-OD2 3.32Å; P259-D262 WeakPolarHBondContact CD-OD2 3.44Å; P259-D262 WeakPolarHBondContact CG-OD2 3.24Å; P259-D262 PolarHBondContact O-N 3.22Å
260	I	87.8	Confident	89.5	Confident	36 Å²	36	73.7 Å²	73.7	19%	0.185	42%	0.42	C	S	.	.	G	3₁₀ helix	trans	-66.7	-28.1	-173.1	-63.1	173.6	0	0	0	112.3	D262 L263 Q334 L335 A338	I260-D262 PolarHBondContact O-N 3.47Å; I260-L263 PolarHBondContact O-N 3.4Å; I260-Q334 HydrophobicContact CD1-CB 3.3Å; I260-Q334 HydrophobicContact CD1-CG 4.36Å; I260-L335 HydrophobicContact CD1-CD2 4.14Å; I260-L335 HydrophobicContact CD1-CG 4.21Å; I260-L335 HydrophobicContact CG1-CD2 3.98Å; I260-L335 HydrophobicContact CG2-CD2 4.35Å; I260-A338 HydrophobicContact CG2-CB 3.8Å
261	G	83.4	Confident	89.5	Confident	79 Å²	79	76.2 Å²	76.2	81%	0.814	43%	0.431	S	S	*	.	G	3₁₀ helix	trans	-70.4	-13.7	175.1	0	0	0	0	0	114.8	P259	P259-G261 PolarHBondContact O-N 3.02Å
262	D	88.5	Confident	89.5	Confident	118 Å²	118	74.2 Å²	74.2	63%	0.631	42%	0.422	S	S	*	.	G	3₁₀ helix	trans	-95.7	-6	177.4	-57.7	-39.9	0	0	0	112.2	P259 I260	P259-D262 WeakPolarHBondContact CB-OD2 3.17Å; P259-D262 VanDerWaalsContact CD-OD2 3.32Å; P259-D262 WeakPolarHBondContact CD-OD2 3.44Å; P259-D262 WeakPolarHBondContact CG-OD2 3.24Å; P259-D262 PolarHBondContact O-N 3.22Å; I260-D262 PolarHBondContact O-N 3.47Å
263	L	87.5	Confident	89.5	Confident	23 Å²	23	76.4 Å²	76.4	12%	0.12	42%	0.422	C	S	.	.	S	Bend	trans	-83.2	145.1	179.3	-57.5	-179	0	0	0	111.8	E258 I260 L268 L335	E258-L263 HydrophobicContact CB-CD2 4.13Å; I260-L263 PolarHBondContact O-N 3.4Å; L263-L268 HydrophobicContact CB-CD2 4.23Å; L263-L268 HydrophobicContact CD1-CD2 4.01Å; L263-L335 HydrophobicContact CD1-CD2 3.62Å
264	F	85.5	Confident	89.7	Confident	164 Å²	164	75.7 Å²	75.7	72%	0.719	42%	0.423	S	S	*	.			trans	-72.4	137.4	168.9	-66.1	-80.4	0	0	0	110.5	D266 S267 L268	F264-D266 PolarHBondContact O-N 3.13Å; F264-S267 PolarHBondContact O-N 3.4Å; F264-S267 PolarHBondContact O-OG 2.98Å; F264-S267 VanDerWaalsContact O-OG 3.13Å; F264-L268 PolarHBondContact O-N 3.22Å
265	I	83.8	Confident	89.8	Confident	74 Å²	74	71.4 Å²	71.4	38%	0.379	41%	0.408	S	S	.	.	G	3₁₀ helix	trans	-54.5	-40.7	179.1	-68.5	169.5	0	0	0	111.2	S267 L268 F342	I265-S267 VanDerWaalsContact C-N 3.3Å; I265-S267 PolarHBondContact O-N 3.17Å; I265-L268 WeakPolarHBondContact O-CB 3.5Å; I265-L268 WeakPolarHBondContact O-CG 3.5Å; I265-L268 PolarHBondContact O-N 3.36Å; I265-F342 HydrophobicContact CD1-CB 4.03Å; I265-F342 HydrophobicContact CG1-CB 4.14Å; I265-F342 WeakPolarHBondContact CG2-O 3.28Å
266	D	81.1	Confident	89.9	Confident	126 Å²	126	71 Å²	71	67%	0.674	39%	0.39	S	S	*	.	G	3₁₀ helix	trans	-70.1	-20.9	-178	-58.1	-41.6	0	0	0	113.7	F264 P269	F264-D266 PolarHBondContact O-N 3.13Å; D266-P269 WeakPolarHBondContact O-CD 3.19Å
267	S	87.9	Confident	89.9	Confident	32 Å²	32	70 Å²	70	22%	0.224	38%	0.38	C	S	.	.	G	3₁₀ helix	trans	-94.3	-4.3	176.4	71.7	0	0	0	0	113.8	F264 I265 P269 E270 H271	F264-S267 PolarHBondContact O-N 3.4Å; F264-S267 PolarHBondContact O-OG 2.98Å; F264-S267 VanDerWaalsContact O-OG 3.13Å; I265-S267 VanDerWaalsContact C-N 3.3Å; I265-S267 PolarHBondContact O-N 3.17Å; S267-P269 VanDerWaalsContact C-N 3.34Å; S267-E270 WeakPolarHBondContact CA-OE2 3.38Å; S267-E270 PolarHBondContact O-N 2.98Å; S267-H271 PolarHBondContact O-CD2 2.81Å; S267-H271 PolarHBondContact O-N 2.93Å; S267-H271 PolarHBondContact OG-CD2 3.44Å; S267-H271 VanDerWaalsContact OG-CD2 3.31Å; S267-H271 PolarHBondContact OG-NE2 3.49Å
268	L	88.8	Confident	89.9	Confident	6 Å²	6	68.1 Å²	68.1	3%	0.031	37%	0.374	C	S	.	.	H	α-helix	trans	-55.7	-38.3	176	-66.2	174.8	0	0	0	113.7	L263 F264 I265 E270 H271 I272 L335 A338 H339	L263-L268 HydrophobicContact CB-CD2 4.23Å; L263-L268 HydrophobicContact CD1-CD2 4.01Å; F264-L268 PolarHBondContact O-N 3.22Å; I265-L268 WeakPolarHBondContact O-CB 3.5Å; I265-L268 WeakPolarHBondContact O-CG 3.5Å; I265-L268 PolarHBondContact O-N 3.36Å; L268-E270 PolarHBondContact O-N 3.33Å; L268-H271 PolarHBondContact O-N 2.99Å; L268-I272 WeakPolarHBondContact O-CB 3.47Å; L268-I272 WeakPolarHBondContact O-CD1 3.49Å; L268-I272 WeakPolarHBondContact O-CG1 3.18Å; L268-I272 PolarHBondContact O-N 3.1Å; L268-L335 HydrophobicContact CD2-CD2 3.89Å; L268-A338 HydrophobicContact CD1-CB 4.21Å; L268-H339 HydrophobicContact CB-CB 4.12Å; L268-H339 HydrophobicContact CD1-CB 4.19Å
269	P	89.9	Confident	89.9	Confident	53 Å²	53	67.6 Å²	67.6	34%	0.344	37%	0.37	S	S	.	.	H	α-helix	trans	-58.5	-44.7	174.7	-23.4	34.8	0	0	0	113.1	D266 S267 I272 Q273	D266-P269 WeakPolarHBondContact O-CD 3.19Å; S267-P269 VanDerWaalsContact C-N 3.34Å; P269-I272 PolarHBondContact O-N 2.94Å; P269-Q273 WeakPolarHBondContact O-CB 3.35Å; P269-Q273 PolarHBondContact O-N 3.42Å
270	E	92.6	Very high	89.8	Confident	120 Å²	120	70.1 Å²	70.1	56%	0.561	37%	0.374	S	S	*	.	H	α-helix	trans	-64.5	-45.3	178.2	-71	68.7	-160	0	0	110.6	S267 L268 I272 Q273 A274	S267-E270 WeakPolarHBondContact CA-OE2 3.38Å; S267-E270 PolarHBondContact O-N 2.98Å; L268-E270 PolarHBondContact O-N 3.33Å; E270-I272 PolarHBondContact O-N 3.4Å; E270-Q273 PolarHBondContact O-N 2.95Å; E270-A274 WeakPolarHBondContact O-CB 3.14Å; E270-A274 PolarHBondContact O-N 3.15Å
271	H	92.3	Very high	89.8	Confident	55 Å²	55	74.9 Å²	74.9	26%	0.255	40%	0.396	S	S	.	.	H	α-helix	trans	-64.2	-39.5	175.7	-64.3	-64.1	0	0	0	112.2	S267 L268 Q273 A274 I275 L335	S267-H271 PolarHBondContact O-CD2 2.81Å; S267-H271 PolarHBondContact O-N 2.93Å; S267-H271 PolarHBondContact OG-CD2 3.44Å; S267-H271 VanDerWaalsContact OG-CD2 3.31Å; S267-H271 PolarHBondContact OG-NE2 3.49Å; L268-H271 PolarHBondContact O-N 2.99Å; H271-Q273 VanDerWaalsContact C-N 3.33Å; H271-Q273 PolarHBondContact O-N 3.29Å; H271-A274 PolarHBondContact O-N 3.02Å; H271-I275 VanDerWaalsContact O-CG1 3.3Å; H271-I275 WeakPolarHBondContact O-CG1 3.2Å; H271-I275 PolarHBondContact O-N 2.87Å; H271-L335 HydrophobicContact CB-CD1 4.09Å; H271-L335 HydrophobicContact CB-CD2 4.28Å
272	I	93.4	Very high	89.7	Confident	14 Å²	14	72.7 Å²	72.7	7%	0.072	36%	0.364	C	S	.	.	H	α-helix	trans	-61.2	-43.3	173.3	-72.3	165.5	0	0	0	110.5	L268 P269 E270 K276 L332 L335 Q336 H339	L268-I272 WeakPolarHBondContact O-CB 3.47Å; L268-I272 WeakPolarHBondContact O-CD1 3.49Å; L268-I272 WeakPolarHBondContact O-CG1 3.18Å; L268-I272 PolarHBondContact O-N 3.1Å; P269-I272 PolarHBondContact O-N 2.94Å; E270-I272 PolarHBondContact O-N 3.4Å; I272-K276 HydrophobicContact CG2-CD 4.44Å; I272-K276 WeakPolarHBondContact O-CG 3.35Å; I272-K276 PolarHBondContact O-N 2.87Å; I272-K276 VanDerWaalsContact O-N 3.09Å; I272-L332 HydrophobicContact CG2-CD1 4.12Å; I272-L335 HydrophobicContact CD1-CB 4.47Å; I272-L335 HydrophobicContact CG1-CB 3.71Å; I272-Q336 HydrophobicContact CD1-CG 4.21Å; I272-Q336 HydrophobicContact CG1-CG 4.38Å; I272-Q336 HydrophobicContact CG2-CG 4.39Å; I272-H339 HydrophobicContact CD1-CB 3.66Å
273	Q	94.3	Very high	89.5	Confident	86 Å²	86	70 Å²	70	40%	0.402	35%	0.354	S	S	.	.	H	α-helix	trans	-71	-38.6	-179.8	-171.1	57	30.4	0	0	112.3	P269 E270 H271 K276 L277	P269-Q273 WeakPolarHBondContact O-CB 3.35Å; P269-Q273 PolarHBondContact O-N 3.42Å; E270-Q273 PolarHBondContact O-N 2.95Å; H271-Q273 VanDerWaalsContact C-N 3.33Å; H271-Q273 PolarHBondContact O-N 3.29Å; Q273-K276 PolarHBondContact O-N 3.13Å; Q273-L277 HydrophobicContact CG-CD1 4.4Å; Q273-L277 WeakPolarHBondContact O-CG 3.38Å; Q273-L277 PolarHBondContact O-N 3.28Å
274	A	94	Very high	89.4	Confident	53 Å²	53	73.3 Å²	73.3	44%	0.438	38%	0.377	S	S	.	.	H	α-helix	trans	-60.2	-44.9	173.7	0	0	0	0	0	111.7	E270 H271 K276 L277 F278	E270-A274 WeakPolarHBondContact O-CB 3.14Å; E270-A274 PolarHBondContact O-N 3.15Å; H271-A274 PolarHBondContact O-N 3.02Å; A274-K276 VanDerWaalsContact C-N 3.33Å; A274-K276 PolarHBondContact O-N 3.12Å; A274-L277 PolarHBondContact O-N 3.33Å; A274-F278 VanDerWaalsContact O-CB 3.27Å; A274-F278 WeakPolarHBondContact O-CB 3.41Å; A274-F278 PolarHBondContact O-N 3.45Å
275	I	94.6	Very high	89.6	Confident	11 Å²	11	66 Å²	66	6%	0.056	35%	0.346	C	S	.	.	H	α-helix	trans	-69.1	-29.4	178.1	-63.6	-67	0	0	0	112.3	W257 H271 K279 V328 R331 L332 L335	W257-I275 HydrophobicContact CD2-CD1 4.18Å; W257-I275 VanDerWaalsContact CE2-CD1 3.49Å; W257-I275 HydrophobicContact CH2-CD1 4.21Å; W257-I275 HydrophobicContact CZ2-CD1 3.52Å; H271-I275 VanDerWaalsContact O-CG1 3.3Å; H271-I275 WeakPolarHBondContact O-CG1 3.2Å; H271-I275 PolarHBondContact O-N 2.87Å; I275-K279 WeakPolarHBondContact O-CB 3.43Å; I275-K279 PolarHBondContact O-N 3.05Å; I275-V328 HydrophobicContact CG2-CG1 4.31Å; I275-R331 HydrophobicContact CD1-CG 4.15Å; I275-R331 HydrophobicContact CG1-CG 4.31Å; I275-L332 HydrophobicContact CB-CD1 4.49Å; I275-L332 HydrophobicContact CG2-CB 3.81Å; I275-L332 HydrophobicContact CG2-CD1 4.2Å; I275-L335 HydrophobicContact CG1-CD1 3.88Å
276	K	94.1	Very high	89.8	Confident	78 Å²	78	67.9 Å²	67.9	34%	0.339	35%	0.351	S	S	.	.	H	α-helix	trans	-66.4	-49.1	170.3	-73.1	169	-175.6	170.2	0	112	I272 Q273 A274 K279 E280 L332	I272-K276 HydrophobicContact CG2-CD 4.44Å; I272-K276 WeakPolarHBondContact O-CG 3.35Å; I272-K276 PolarHBondContact O-N 2.87Å; I272-K276 VanDerWaalsContact O-N 3.09Å; Q273-K276 PolarHBondContact O-N 3.13Å; A274-K276 VanDerWaalsContact C-N 3.33Å; A274-K276 PolarHBondContact O-N 3.12Å; K276-K279 WeakPolarHBondContact O-CB 3.3Å; K276-K279 PolarHBondContact O-N 2.66Å; K276-K279 VanDerWaalsContact O-N 3.13Å; K276-E280 PolarHBondContact O-N 3.28Å; K276-L332 HydrophobicContact CG-CD1 4.13Å
277	L	93.9	Very high	90.3	Very high	84 Å²	84	65.9 Å²	65.9	44%	0.44	34%	0.34	S	S	.	.	H	α-helix	trans	-60.5	-47.7	178.4	-69.3	169.5	0	0	0	110.7	Q273 A274 K279 E280 E281	Q273-L277 HydrophobicContact CG-CD1 4.4Å; Q273-L277 WeakPolarHBondContact O-CG 3.38Å; Q273-L277 PolarHBondContact O-N 3.28Å; A274-L277 PolarHBondContact O-N 3.33Å; L277-K279 VanDerWaalsContact C-N 3.27Å; L277-K279 PolarHBondContact O-N 2.97Å; L277-E280 WeakPolarHBondContact O-CA 3.38Å; L277-E280 WeakPolarHBondContact O-CB 3.48Å; L277-E280 PolarHBondContact O-N 2.96Å; L277-E281 WeakPolarHBondContact O-CG 3.44Å; L277-E281 PolarHBondContact O-N 3.43Å
278	F	92.1	Very high	90.5	Very high	18 Å²	18	65.3 Å²	65.3	8%	0.079	34%	0.339	C	S	.	.	H	α-helix	trans	-52.4	-44.2	172.6	-172	-102.6	0	0	0	111.8	V253 W257 A274 E280 E281 F282 V328	V253-F278 HydrophobicContact CB-CE2 3.54Å; V253-F278 HydrophobicContact CB-CZ 3.88Å; V253-F278 HydrophobicContact CG1-CD2 3.98Å; V253-F278 HydrophobicContact CG1-CE2 3.33Å; V253-F278 HydrophobicContact CG1-CZ 3.92Å; V253-F278 HydrophobicContact CG2-CE2 4.15Å; W257-F278 HydrophobicContact CH2-CE1 4.32Å; W257-F278 AromaticContact CZ2-CD1 3.97Å; W257-F278 HydrophobicContact CZ2-CD1 3.97Å; W257-F278 AromaticContact CZ2-CE1 3.64Å; W257-F278 HydrophobicContact CZ2-CE1 3.64Å; W257-F278 HydrophobicContact CZ2-CZ 4.3Å; A274-F278 VanDerWaalsContact O-CB 3.27Å; A274-F278 WeakPolarHBondContact O-CB 3.41Å; A274-F278 PolarHBondContact O-N 3.45Å; F278-E280 VanDerWaalsContact C-N 3.34Å; F278-E280 PolarHBondContact O-N 3.47Å; F278-E281 PolarHBondContact O-N 2.76Å; F278-F282 HydrophobicContact CD1-CD2 4.17Å; F278-F282 AromaticContact CD1-CE2 3.72Å; F278-F282 HydrophobicContact CD1-CE2 3.72Å; F278-F282 AromaticContact CD2-CE2 3.64Å; F278-F282 HydrophobicContact CD2-CE2 3.64Å; F278-F282 HydrophobicContact CD2-CZ 4.28Å; F278-F282 HydrophobicContact CE1-CD2 4.1Å; F278-F282 AromaticContact CE1-CE2 3.49Å; F278-F282 HydrophobicContact CE1-CE2 3.49Å; F278-F282 VanDerWaalsContact CE1-CE2 3.49Å; F278-F282 HydrophobicContact CE1-CZ 4.39Å; F278-F282 AromaticContact CE2-CE2 3.4Å; F278-F282 HydrophobicContact CE2-CE2 3.4Å; F278-F282 AromaticContact CE2-CZ 3.74Å; F278-F282 HydrophobicContact CE2-CZ 3.74Å; F278-F282 HydrophobicContact CG-CD2 4.47Å; F278-F282 AromaticContact CG-CE2 3.8Å; F278-F282 HydrophobicContact CG-CE2 3.8Å; F278-F282 HydrophobicContact CZ-CD2 4.35Å; F278-F282 AromaticContact CZ-CE2 3.33Å; F278-F282 HydrophobicContact CZ-CE2 3.33Å; F278-F282 AromaticContact CZ-CZ 3.82Å; F278-F282 HydrophobicContact CZ-CZ 3.82Å; F278-F282 WeakPolarHBondContact O-CD2 3.36Å; F278-F282 WeakPolarHBondContact O-CE2 3.25Å; F278-F282 PolarHBondContact O-N 3.31Å; F278-V328 HydrophobicContact CD1-CG2 4.01Å; F278-V328 HydrophobicContact CE1-CG2 3.8Å
279	K	91.1	Very high	90.8	Very high	108 Å²	108	65.4 Å²	65.4	47%	0.47	34%	0.34	S	S	.	.	H	α-helix	trans	-64.5	-33.8	176.7	-176.6	178.8	174.6	178.1	0	113.5	I275 K276 L277 V328	I275-K279 WeakPolarHBondContact O-CB 3.43Å; I275-K279 PolarHBondContact O-N 3.05Å; K276-K279 WeakPolarHBondContact O-CB 3.3Å; K276-K279 PolarHBondContact O-N 2.66Å; K276-K279 VanDerWaalsContact O-N 3.13Å; L277-K279 VanDerWaalsContact C-N 3.27Å; L277-K279 PolarHBondContact O-N 2.97Å; K279-V328 HydrophobicContact CB-CG1 3.81Å; K279-V328 HydrophobicContact CD-CG1 4.28Å; K279-V328 HydrophobicContact CG-CG1 4.06Å
280	E	89.8	Confident	91	Very high	135 Å²	135	68.6 Å²	68.6	63%	0.631	35%	0.349	S	S	*	.	H	α-helix	trans	-74.2	-37.5	176.5	-70.9	172.6	-179.4	0	0	111.5	K276 L277 F278 F282 S283	K276-E280 PolarHBondContact O-N 3.28Å; L277-E280 WeakPolarHBondContact O-CA 3.38Å; L277-E280 WeakPolarHBondContact O-CB 3.48Å; L277-E280 PolarHBondContact O-N 2.96Å; F278-E280 VanDerWaalsContact C-N 3.34Å; F278-E280 PolarHBondContact O-N 3.47Å; E280-F282 PolarHBondContact O-N 2.9Å; E280-S283 WeakPolarHBondContact O-CB 3.46Å; E280-S283 PolarHBondContact O-N 2.92Å
281	E	86.9	Confident	91	Very high	135 Å²	135	66.6 Å²	66.6	63%	0.631	34%	0.341	S	S	*	.	H	α-helix	trans	-59.4	-26.5	175.6	-71.5	172.6	160.5	0	0	113.4	L277 F278 P284	L277-E281 WeakPolarHBondContact O-CG 3.44Å; L277-E281 PolarHBondContact O-N 3.43Å; F278-E281 PolarHBondContact O-N 2.76Å; E281-P284 WeakPolarHBondContact O-CD 3.43Å
282	F	81.3	Confident	91.1	Very high	33 Å²	33	64 Å²	64	15%	0.145	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	8.5	174.3	-62.8	-64.6	0	0	0	115.7	A250 F278 E280 M285 K286 W321	A250-F282 HydrophobicContact CB-CD1 4.2Å; A250-F282 HydrophobicContact CB-CE1 3.4Å; A250-F282 VanDerWaalsContact CB-CE1 3.4Å; A250-F282 HydrophobicContact CB-CE2 4.19Å; A250-F282 HydrophobicContact CB-CZ 3.42Å; A250-F282 VanDerWaalsContact CB-CZ 3.42Å; F278-F282 HydrophobicContact CD1-CD2 4.17Å; F278-F282 AromaticContact CD1-CE2 3.72Å; F278-F282 HydrophobicContact CD1-CE2 3.72Å; F278-F282 AromaticContact CD2-CE2 3.64Å; F278-F282 HydrophobicContact CD2-CE2 3.64Å; F278-F282 HydrophobicContact CD2-CZ 4.28Å; F278-F282 HydrophobicContact CE1-CD2 4.1Å; F278-F282 AromaticContact CE1-CE2 3.49Å; F278-F282 HydrophobicContact CE1-CE2 3.49Å; F278-F282 VanDerWaalsContact CE1-CE2 3.49Å; F278-F282 HydrophobicContact CE1-CZ 4.39Å; F278-F282 AromaticContact CE2-CE2 3.4Å; F278-F282 HydrophobicContact CE2-CE2 3.4Å; F278-F282 AromaticContact CE2-CZ 3.74Å; F278-F282 HydrophobicContact CE2-CZ 3.74Å; F278-F282 HydrophobicContact CG-CD2 4.47Å; F278-F282 AromaticContact CG-CE2 3.8Å; F278-F282 HydrophobicContact CG-CE2 3.8Å; F278-F282 HydrophobicContact CZ-CD2 4.35Å; F278-F282 AromaticContact CZ-CE2 3.33Å; F278-F282 HydrophobicContact CZ-CE2 3.33Å; F278-F282 AromaticContact CZ-CZ 3.82Å; F278-F282 HydrophobicContact CZ-CZ 3.82Å; F278-F282 WeakPolarHBondContact O-CD2 3.36Å; F278-F282 WeakPolarHBondContact O-CE2 3.25Å; F278-F282 PolarHBondContact O-N 3.31Å; E280-F282 PolarHBondContact O-N 2.9Å; F282-M285 HydrophobicContact CB-CB 4.43Å; F282-M285 HydrophobicContact CD1-CB 4.37Å; F282-M285 HydrophobicContact CD1-CE 3.65Å; F282-M285 HydrophobicContact CD1-SD 3.91Å; F282-M285 HydrophobicContact CE1-CE 3.94Å; F282-M285 WeakPolarHBondContact O-CB 3.32Å; F282-M285 PolarHBondContact O-N 3.21Å; F282-K286 PolarHBondContact O-N 3.47Å; F282-W321 HydrophobicContact CB-CH2 4.16Å; F282-W321 HydrophobicContact CB-CZ3 4.04Å
283	S	84.1	Confident	91.2	Very high	61 Å²	61	65.9 Å²	65.9	43%	0.427	34%	0.339	S	S	.	.	H	α-helix	trans	-57.1	-42.8	172.2	-163.4	0	0	0	0	113.1	E280 M285 K286 D287	E280-S283 WeakPolarHBondContact O-CB 3.46Å; E280-S283 PolarHBondContact O-N 2.92Å; S283-M285 VanDerWaalsContact C-N 3.3Å; S283-M285 PolarHBondContact O-N 3.41Å; S283-K286 WeakPolarHBondContact O-CB 3.25Å; S283-K286 PolarHBondContact O-N 3.22Å; S283-D287 PolarHBondContact O-N 3.46Å
284	P	86.8	Confident	91.2	Very high	94 Å²	94	64.9 Å²	64.9	61%	0.61	34%	0.337	S	S	*	.	H	α-helix	trans	-63.4	-33.8	177.7	-22.6	35.1	0	0	0	113.4	E281 K286 D287 G288	E281-P284 WeakPolarHBondContact O-CD 3.43Å; P284-K286 VanDerWaalsContact C-N 3.33Å; P284-K286 PolarHBondContact O-N 3.31Å; P284-D287 PolarHBondContact O-N 2.94Å; P284-G288 PolarHBondContact O-N 3.37Å
285	M	88	Confident	91.1	Very high	11 Å²	11	62.8 Å²	62.8	5%	0.054	32%	0.318	C	S	.	.	H	α-helix	trans	-64.2	-38.5	178.4	-176.2	-179	-76.3	0	0	111.7	L243 T246 L247 A250 F282 S283 D287 G288 V289 W321 L324	L243-M285 HydrophobicContact CD2-CG 4.02Å; T246-M285 WeakPolarHBondContact OG1-CE 3.49Å; L247-M285 HydrophobicContact CB-CE 4.49Å; L247-M285 HydrophobicContact CD2-CE 4.26Å; L247-M285 HydrophobicContact CD2-SD 3.51Å; L247-M285 VanDerWaalsContact CD2-SD 3.51Å; L247-M285 HydrophobicContact CG-CE 4.1Å; L247-M285 HydrophobicContact CG-SD 3.85Å; L247-M285 VanDerWaalsContact N-CE 3.35Å; A250-M285 HydrophobicContact CB-CE 4.49Å; F282-M285 HydrophobicContact CB-CB 4.43Å; F282-M285 HydrophobicContact CD1-CB 4.37Å; F282-M285 HydrophobicContact CD1-CE 3.65Å; F282-M285 HydrophobicContact CD1-SD 3.91Å; F282-M285 HydrophobicContact CE1-CE 3.94Å; F282-M285 WeakPolarHBondContact O-CB 3.32Å; F282-M285 PolarHBondContact O-N 3.21Å; S283-M285 VanDerWaalsContact C-N 3.3Å; S283-M285 PolarHBondContact O-N 3.41Å; M285-D287 VanDerWaalsContact C-N 3.32Å; M285-D287 PolarHBondContact O-N 2.75Å; M285-G288 PolarHBondContact O-N 2.93Å; M285-V289 WeakPolarHBondContact O-CB 3.34Å; M285-V289 VanDerWaalsContact O-CG2 3.3Å; M285-V289 WeakPolarHBondContact O-CG2 3.46Å; M285-V289 PolarHBondContact O-N 3.25Å; M285-W321 HydrophobicContact CB-CE3 4.5Å; M285-W321 HydrophobicContact CB-CH2 4.47Å; M285-W321 HydrophobicContact CB-CZ3 4.03Å; M285-W321 HydrophobicContact CG-CE3 3.76Å; M285-W321 HydrophobicContact CG-CZ3 3.77Å; M285-W321 HydrophobicContact SD-CE3 3.42Å; M285-W321 HydrophobicContact SD-CZ3 3.47Å; M285-W321 WeakPolarHBondContact SD-CZ3 3.35Å; M285-L324 HydrophobicContact SD-CD2 4.26Å
286	K	89.4	Confident	91	Very high	113 Å²	113	63 Å²	63	49%	0.491	32%	0.322	S	S	.	.	H	α-helix	trans	-58.3	-45	173.2	-176.7	-161.8	164.7	-144.7	0	111.7	F282 S283 P284 K290 W321	F282-K286 PolarHBondContact O-N 3.47Å; S283-K286 WeakPolarHBondContact O-CB 3.25Å; S283-K286 PolarHBondContact O-N 3.22Å; P284-K286 VanDerWaalsContact C-N 3.33Å; P284-K286 PolarHBondContact O-N 3.31Å; K286-K290 PolarHBondContact O-N 3.45Å; K286-W321 HydrophobicContact CB-CH2 4.01Å; K286-W321 HydrophobicContact CB-CZ2 3.51Å; K286-W321 HydrophobicContact CG-CZ2 3.95Å
287	D	92	Very high	90.9	Very high	83 Å²	83	65 Å²	65	44%	0.444	33%	0.332	S	S	.	.	H	α-helix	trans	-76.5	-33.4	-175.6	-61.2	-34.7	0	0	0	111.3	S283 P284 M285 K290 L291	S283-D287 PolarHBondContact O-N 3.46Å; P284-D287 PolarHBondContact O-N 2.94Å; M285-D287 VanDerWaalsContact C-N 3.32Å; M285-D287 PolarHBondContact O-N 2.75Å; D287-K290 WeakPolarHBondContact O-CB 3.49Å; D287-K290 PolarHBondContact O-N 2.94Å; D287-L291 PolarHBondContact O-N 3.48Å
288	G	92	Very high	90.8	Very high	20 Å²	20	65.2 Å²	65.2	21%	0.206	33%	0.331	C	S	.	.	H	α-helix	trans	-63.9	-46.9	168.5	0	0	0	0	0	113	P284 M285 K290 L291 V292	P284-G288 PolarHBondContact O-N 3.37Å; M285-G288 PolarHBondContact O-N 2.93Å; G288-K290 PolarHBondContact O-N 2.88Å; G288-L291 WeakPolarHBondContact O-CB 3.41Å; G288-L291 PolarHBondContact O-N 2.91Å; G288-L291 VanDerWaalsContact O-N 3.13Å; G288-V292 PolarHBondContact O-N 2.98Å
289	V	93.8	Very high	90.7	Very high	8 Å²	8	64.4 Å²	64.4	5%	0.048	33%	0.327	C	S	.	.	H	α-helix	trans	-58.6	-37.7	173.5	170.6	0	0	0	0	110.6	L243 M285 N293 I317 W321	L243-V289 HydrophobicContact CD1-CG2 3.99Å; L243-V289 HydrophobicContact CD2-CG2 3.94Å; M285-V289 WeakPolarHBondContact O-CB 3.34Å; M285-V289 VanDerWaalsContact O-CG2 3.3Å; M285-V289 WeakPolarHBondContact O-CG2 3.46Å; M285-V289 PolarHBondContact O-N 3.25Å; V289-N293 PolarHBondContact O-N 3.04Å; V289-N293 PolarHBondContact O-ND2 3.5Å; V289-I317 HydrophobicContact CG2-CG2 4.14Å; V289-W321 HydrophobicContact CG1-CG 4.45Å; V289-W321 HydrophobicContact CG2-CB 4.23Å; V289-W321 HydrophobicContact CG2-CD2 4.49Å; V289-W321 HydrophobicContact CG2-CG 4.04Å
290	K	93.9	Very high	90.6	Very high	121 Å²	121	61.4 Å²	61.4	53%	0.526	32%	0.322	S	S	.	.	H	α-helix	trans	-63.9	-49.1	173.4	-174.3	-179.9	-179.5	-73.3	0	111.8	K286 D287 G288 V292 N293 D294	K286-K290 PolarHBondContact O-N 3.45Å; D287-K290 WeakPolarHBondContact O-CB 3.49Å; D287-K290 PolarHBondContact O-N 2.94Å; G288-K290 PolarHBondContact O-N 2.88Å; K290-V292 PolarHBondContact O-N 3.46Å; K290-N293 PolarHBondContact O-N 3.28Å; K290-D294 IonicContact NZ-OD1 3.62Å; K290-D294 IonicContact NZ-OD2 2.86Å; K290-D294 PolarHBondContact NZ-OD2 3.42Å; K290-D294 WeakPolarHBondContact O-CB 3.26Å; K290-D294 PolarHBondContact O-N 2.86Å
291	L	93.6	Very high	90.6	Very high	77 Å²	77	60.7 Å²	60.7	40%	0.403	32%	0.322	S	S	.	.	H	α-helix	trans	-54.2	-48.2	-179.7	176.3	62.1	0	0	0	112.1	D287 G288 N293 D294 L295	D287-L291 PolarHBondContact O-N 3.48Å; G288-L291 WeakPolarHBondContact O-CB 3.41Å; G288-L291 PolarHBondContact O-N 2.91Å; G288-L291 VanDerWaalsContact O-N 3.13Å; L291-N293 PolarHBondContact O-N 3.1Å; L291-D294 PolarHBondContact O-N 3.21Å; L291-L295 HydrophobicContact CD1-CD1 3.99Å; L291-L295 HydrophobicContact CD1-CG 4.14Å; L291-L295 HydrophobicContact CG-CD1 3.98Å; L291-L295 WeakPolarHBondContact O-CB 3.4Å; L291-L295 WeakPolarHBondContact O-CG 3.5Å; L291-L295 PolarHBondContact O-N 2.96Å
292	V	94.6	Very high	90.5	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-65.2	-40.1	-179.3	-177.8	0	0	0	0	112	I236 A239 M240 L243 G288 K290 L295 A296 L314	I236-V292 HydrophobicContact CG2-CG1 4.13Å; A239-V292 HydrophobicContact CB-CG2 3.5Å; A239-V292 VanDerWaalsContact CB-CG2 3.5Å; M240-V292 HydrophobicContact CG-CG1 3.64Å; M240-V292 HydrophobicContact CG-CG2 4.47Å; M240-V292 HydrophobicContact SD-CG1 3.95Å; L243-V292 HydrophobicContact CD1-CG2 3.79Å; G288-V292 PolarHBondContact O-N 2.98Å; K290-V292 PolarHBondContact O-N 3.46Å; V292-L295 PolarHBondContact O-N 2.93Å; V292-A296 VanDerWaalsContact O-CB 3.32Å; V292-A296 WeakPolarHBondContact O-CB 3.18Å; V292-A296 PolarHBondContact O-N 2.88Å; V292-L314 HydrophobicContact CB-CD1 4.29Å; V292-L314 HydrophobicContact CG1-CD1 3.57Å; V292-L314 HydrophobicContact CG1-CD2 4.41Å
293	N	94.8	Very high	90.6	Very high	54 Å²	54	60.9 Å²	60.9	29%	0.289	33%	0.333	S	S	.	.	H	α-helix	trans	-66.2	-40.5	174.6	-74.8	-64.6	0	0	0	111.9	V289 K290 L291 A296 H297 N318	V289-N293 PolarHBondContact O-N 3.04Å; V289-N293 PolarHBondContact O-ND2 3.5Å; K290-N293 PolarHBondContact O-N 3.28Å; L291-N293 PolarHBondContact O-N 3.1Å; N293-A296 PolarHBondContact O-N 2.7Å; N293-H297 WeakPolarHBondContact O-CB 3.24Å; N293-H297 PolarHBondContact O-N 2.87Å; N293-N318 PolarHBondContact ND2-ND2 3.32Å; N293-N318 PolarHBondContact ND2-OD1 3.25Å; N293-N318 PolarHBondContact OD1-ND2 3.3Å
294	D	94.3	Very high	90.7	Very high	65 Å²	65	58 Å²	58	35%	0.348	31%	0.313	S	S	.	.	H	α-helix	trans	-64.9	-37.8	177.1	-72.9	-12.9	0	0	0	111.6	K290 L291 Q298	K290-D294 IonicContact NZ-OD1 3.62Å; K290-D294 IonicContact NZ-OD2 2.86Å; K290-D294 PolarHBondContact NZ-OD2 3.42Å; K290-D294 WeakPolarHBondContact O-CB 3.26Å; K290-D294 PolarHBondContact O-N 2.86Å; L291-D294 PolarHBondContact O-N 3.21Å; D294-Q298 VanDerWaalsContact O-CG 3.32Å; D294-Q298 WeakPolarHBondContact O-CG 3.48Å; D294-Q298 PolarHBondContact O-N 3.09Å; D294-Q298 VanDerWaalsContact O-N 3.12Å; D294-Q298 PolarHBondContact O-NE2 2.88Å
295	L	92.5	Very high	90.7	Very high	9 Å²	9	59.7 Å²	59.7	5%	0.047	31%	0.312	C	S	.	.	H	α-helix	trans	-69.5	-45.6	174.6	-72.5	169	0	0	0	111.9	Q232 E235 I236 L291 V292 H297 Q298 L299	Q232-L295 HydrophobicContact CG-CD2 4.47Å; E235-L295 HydrophobicContact CB-CD1 4.34Å; E235-L295 HydrophobicContact CG-CD1 3.78Å; I236-L295 HydrophobicContact CD1-CB 3.84Å; I236-L295 HydrophobicContact CG1-CB 3.64Å; I236-L295 HydrophobicContact CG1-CD1 4.16Å; L291-L295 HydrophobicContact CD1-CD1 3.99Å; L291-L295 HydrophobicContact CD1-CG 4.14Å; L291-L295 HydrophobicContact CG-CD1 3.98Å; L291-L295 WeakPolarHBondContact O-CB 3.4Å; L291-L295 WeakPolarHBondContact O-CG 3.5Å; L291-L295 PolarHBondContact O-N 2.96Å; V292-L295 PolarHBondContact O-N 2.93Å; L295-H297 PolarHBondContact O-N 2.64Å; L295-Q298 WeakPolarHBondContact O-CB 3.41Å; L295-Q298 PolarHBondContact O-N 3.19Å; L295-Q298 VanDerWaalsContact O-N 3.13Å; L295-L299 PolarHBondContact O-N 3.31Å
296	A	92.9	Very high	90.7	Very high	15 Å²	15	60.7 Å²	60.7	12%	0.124	32%	0.318	C	S	.	.	H	α-helix	trans	-59.6	-36.6	175.3	0	0	0	0	0	111.9	I236 V292 N293 A300 L306 L314	I236-A296 HydrophobicContact CD1-CB 4.38Å; V292-A296 VanDerWaalsContact O-CB 3.32Å; V292-A296 WeakPolarHBondContact O-CB 3.18Å; V292-A296 PolarHBondContact O-N 2.88Å; N293-A296 PolarHBondContact O-N 2.7Å; A296-A300 PolarHBondContact O-N 2.75Å; A296-A300 VanDerWaalsContact O-N 3.12Å; A296-L306 HydrophobicContact CB-CD1 3.82Å; A296-L314 HydrophobicContact CB-CD2 3.68Å
297	H	92.3	Very high	90.8	Very high	120 Å²	120	56.5 Å²	56.5	56%	0.556	30%	0.303	S	S	*	.	H	α-helix	trans	-69.3	-37.7	174.7	-170.2	42.4	0	0	0	112.8	N293 L295 A300 I301	N293-H297 WeakPolarHBondContact O-CB 3.24Å; N293-H297 PolarHBondContact O-N 2.87Å; L295-H297 PolarHBondContact O-N 2.64Å; H297-A300 PolarHBondContact O-N 3Å; H297-I301 VanDerWaalsContact O-CG1 3.3Å; H297-I301 WeakPolarHBondContact O-CG1 3.43Å; H297-I301 PolarHBondContact O-N 3.09Å
298	Q	91.4	Very high	90.7	Very high	90 Å²	90	60.3 Å²	60.3	42%	0.421	32%	0.32	S	S	.	.	H	α-helix	trans	-63.9	-37.8	174.4	-75.1	166.1	63.6	0	0	112.9	D294 L295 I301 S302	D294-Q298 VanDerWaalsContact O-CG 3.32Å; D294-Q298 WeakPolarHBondContact O-CG 3.48Å; D294-Q298 PolarHBondContact O-N 3.09Å; D294-Q298 VanDerWaalsContact O-N 3.12Å; D294-Q298 PolarHBondContact O-NE2 2.88Å; L295-Q298 WeakPolarHBondContact O-CB 3.41Å; L295-Q298 PolarHBondContact O-N 3.19Å; L295-Q298 VanDerWaalsContact O-N 3.13Å; Q298-I301 PolarHBondContact O-N 3.31Å; Q298-S302 PolarHBondContact O-N 2.99Å; Q298-S302 PolarHBondContact O-OG 3.5Å
299	L	89.9	Confident	90.5	Very high	0 Å²	0	66.9 Å²	66.9	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-63.9	-46	172.4	-73.3	178.1	0	0	0	111.4	T229 Q232 L233 I236 L295 I301 S302 D303 V304 L306	T229-L299 HydrophobicContact CG2-CD2 4.17Å; Q232-L299 HydrophobicContact CB-CD1 4.49Å; Q232-L299 HydrophobicContact CB-CD2 3.99Å; Q232-L299 HydrophobicContact CB-CG 4.32Å; L233-L299 HydrophobicContact CD2-CD1 3.6Å; L233-L299 HydrophobicContact CG-CD1 3.98Å; I236-L299 HydrophobicContact CD1-CD1 3.48Å; I236-L299 VanDerWaalsContact CD1-CD1 3.48Å; I236-L299 HydrophobicContact CD1-CG 4.42Å; L295-L299 PolarHBondContact O-N 3.31Å; L299-I301 VanDerWaalsContact C-N 3.33Å; L299-I301 PolarHBondContact O-N 3.47Å; L299-S302 CarbonylContact O-C 3.46Å; L299-S302 WeakPolarHBondContact O-CA 3.5Å; L299-S302 WeakPolarHBondContact O-CB 3.32Å; L299-S302 PolarHBondContact O-N 3.06Å; L299-D303 PolarHBondContact O-N 3.39Å; L299-V304 CarbonylContact C-O 3.57Å; L299-V304 VanDerWaalsContact C-O 3.24Å; L299-V304 HydrophobicContact CB-CB 4.3Å; L299-V304 HydrophobicContact CD2-CB 4.27Å; L299-V304 HydrophobicContact CD2-CG1 4.38Å; L299-V304 PolarHBondContact O-N 2.91Å; L299-L306 HydrophobicContact CD1-CD2 3.89Å
300	A	88.6	Confident	90.3	Very high	45 Å²	45	67.2 Å²	67.2	37%	0.372	35%	0.347	S	S	.	.	H	α-helix	trans	-63.1	-34.9	177.2	0	0	0	0	0	113.5	A296 H297 S302 D303	A296-A300 PolarHBondContact O-N 2.75Å; A296-A300 VanDerWaalsContact O-N 3.12Å; H297-A300 PolarHBondContact O-N 3Å; A300-S302 PolarHBondContact O-N 3.48Å; A300-D303 PolarHBondContact O-N 3Å
301	I	88.9	Confident	90.2	Very high	120 Å²	120	63.7 Å²	63.7	62%	0.615	34%	0.337	S	S	*	.	H	α-helix	trans	-65.1	-22.8	171.2	-70.7	163.8	0	0	0	111.8	H297 Q298 L299 D303	H297-I301 VanDerWaalsContact O-CG1 3.3Å; H297-I301 WeakPolarHBondContact O-CG1 3.43Å; H297-I301 PolarHBondContact O-N 3.09Å; Q298-I301 PolarHBondContact O-N 3.31Å; L299-I301 VanDerWaalsContact C-N 3.33Å; L299-I301 PolarHBondContact O-N 3.47Å; I301-D303 VanDerWaalsContact C-N 3.35Å
302	S	85.6	Confident	90.2	Very high	54 Å²	54	64.9 Å²	64.9	38%	0.378	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.7	18.3	177.4	-48.4	0	0	0	0	112.7	Q298 L299 A300 V304	Q298-S302 PolarHBondContact O-N 2.99Å; Q298-S302 PolarHBondContact O-OG 3.5Å; L299-S302 CarbonylContact O-C 3.46Å; L299-S302 WeakPolarHBondContact O-CA 3.5Å; L299-S302 WeakPolarHBondContact O-CB 3.32Å; L299-S302 PolarHBondContact O-N 3.06Å; A300-S302 PolarHBondContact O-N 3.48Å; S302-V304 PolarHBondContact O-N 2.98Å
303	D	83.6	Confident	90.1	Very high	118 Å²	118	66.5 Å²	66.5	63%	0.631	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.8	4.3	-171.2	-78.5	-45.1	0	0	0	116	L299 A300 I301 H305	L299-D303 PolarHBondContact O-N 3.39Å; A300-D303 PolarHBondContact O-N 3Å; I301-D303 VanDerWaalsContact C-N 3.35Å; D303-H305 PolarHBondContact O-N 3.1Å; D303-H305 PolarHBondContact O-ND1 3.15Å
304	V	86.3	Confident	90	Very high	2 Å²	2	64.6 Å²	64.6	1%	0.012	34%	0.344	C	S	.	.			trans	-84.1	102.5	177.5	-173.4	0	0	0	0	110	L131 T229 L299 S302	L131-V304 HydrophobicContact CB-CG2 4.22Å; T229-V304 HydrophobicContact CG2-CB 4.42Å; T229-V304 HydrophobicContact CG2-CG1 3.84Å; T229-V304 HydrophobicContact CG2-CG2 3.99Å; L299-V304 CarbonylContact C-O 3.57Å; L299-V304 VanDerWaalsContact C-O 3.24Å; L299-V304 HydrophobicContact CB-CB 4.3Å; L299-V304 HydrophobicContact CD2-CB 4.27Å; L299-V304 HydrophobicContact CD2-CG1 4.38Å; L299-V304 PolarHBondContact O-N 2.91Å; S302-V304 PolarHBondContact O-N 2.98Å
305	H	87.2	Confident	90.1	Very high	128 Å²	128	67.4 Å²	67.4	59%	0.593	36%	0.355	S	S	*	.	P	Polyproline II helix	trans	-88.7	122.8	179.8	-67.7	69.8	0	0	0	110.6	G133 D303	G133-H305 WeakPolarHBondContact CA-O 3.24Å; G133-H305 PolarHBondContact N-O 3.47Å; G133-H305 VanDerWaalsContact N-O 3.09Å; D303-H305 PolarHBondContact O-N 3.1Å; D303-H305 PolarHBondContact O-ND1 3.15Å
306	L	88	Confident	90.2	Very high	33 Å²	33	71.7 Å²	71.7	17%	0.173	38%	0.375	C	S	.	.	B	Isolated β-bridge	trans	-52	144.6	176.6	-70	179.5	0	0	0	112.1	L233 I236 A296 L299 N310 L314	L233-L306 HydrophobicContact CD2-CD2 3.56Å; I236-L306 HydrophobicContact CD1-CD2 4.29Å; A296-L306 HydrophobicContact CB-CD1 3.82Å; L299-L306 HydrophobicContact CD1-CD2 3.89Å; L306-N310 HydrophobicContact CB-CB 4.33Å; L306-N310 HydrophobicContact CD2-CB 4.5Å; L306-L314 HydrophobicContact CD1-CD2 4.21Å
307	S	91.1	Very high	90.3	Very high	25 Å²	25	71.3 Å²	71.3	18%	0.175	37%	0.37	C	S	.	.	P	Polyproline II helix	trans	-57.3	152.1	171.8	77.3	0	0	0	0	111.8	G133 E309 N310 S311	G133-S307 PolarHBondContact O-N 3.14Å; S307-E309 PolarHBondContact O-N 3.07Å; S307-E309 VanDerWaalsContact O-N 3.1Å; S307-N310 PolarHBondContact O-N 3.27Å; S307-N310 VanDerWaalsContact O-N 3.1Å; S307-N310 PolarHBondContact OG-N 3.28Å; S307-N310 PolarHBondContact OG-ND2 3.42Å; S307-S311 PolarHBondContact O-N 3.36Å; S307-S311 PolarHBondContact O-OG 2.87Å
308	M	88.7	Confident	90.5	Very high	163 Å²	163	66.8 Å²	66.8	80%	0.803	35%	0.35	S	S	*	.	H	α-helix	trans	-57.1	-28.6	-178.5	-65.3	-65.4	-69.1	0	0	113.1	S311 H312	M308-S311 WeakPolarHBondContact CA-OG 3.2Å; M308-S311 PolarHBondContact O-OG 3.13Å; M308-H312 WeakPolarHBondContact O-CB 3.3Å; M308-H312 PolarHBondContact O-N 2.96Å
309	E	88.4	Confident	90.7	Very high	157 Å²	157	65.5 Å²	65.5	73%	0.734	35%	0.348	S	S	*	.	H	α-helix	trans	-75.9	-47.8	177.4	-60.8	-176.2	176.2	0	0	111	S307 H312 A313	S307-E309 PolarHBondContact O-N 3.07Å; S307-E309 VanDerWaalsContact O-N 3.1Å; E309-H312 PolarHBondContact O-N 3.44Å; E309-A313 WeakPolarHBondContact O-CB 3.39Å; E309-A313 PolarHBondContact O-N 3.49Å
310	N	89.6	Confident	91	Very high	15 Å²	15	67.8 Å²	67.8	8%	0.08	36%	0.357	C	S	.	.	H	α-helix	trans	-62.5	-43.7	176.2	-74.6	-28.8	0	0	0	111.7	Q237 M240 L306 S307 A313 L314	Q237-N310 PolarHBondContact NE2-ND2 3.2Å; Q237-N310 PolarHBondContact NE2-OD1 3.06Å; M240-N310 WeakPolarHBondContact CE-O 3.42Å; L306-N310 HydrophobicContact CB-CB 4.33Å; L306-N310 HydrophobicContact CD2-CB 4.5Å; S307-N310 PolarHBondContact O-N 3.27Å; S307-N310 VanDerWaalsContact O-N 3.1Å; S307-N310 PolarHBondContact OG-N 3.28Å; S307-N310 PolarHBondContact OG-ND2 3.42Å; N310-A313 PolarHBondContact O-N 2.96Å; N310-L314 WeakPolarHBondContact O-CB 3.19Å; N310-L314 PolarHBondContact O-N 3.35Å
311	S	91.8	Very high	91.2	Very high	47 Å²	47	66.9 Å²	66.9	33%	0.329	34%	0.344	S	S	.	.	H	α-helix	trans	-66.6	-42	179.9	63	0	0	0	0	112.4	S307 M308 L314 E315	S307-S311 PolarHBondContact O-N 3.36Å; S307-S311 PolarHBondContact O-OG 2.87Å; M308-S311 WeakPolarHBondContact CA-OG 3.2Å; M308-S311 PolarHBondContact O-OG 3.13Å; S311-L314 PolarHBondContact O-N 3.37Å; S311-E315 PolarHBondContact O-N 3.18Å
312	H	92.9	Very high	91.5	Very high	102 Å²	102	67.4 Å²	67.4	47%	0.472	34%	0.342	S	S	.	.	H	α-helix	trans	-67.2	-40.3	176.2	172.1	-124.7	0	0	0	112.1	M308 E309 E315 Q316	M308-H312 WeakPolarHBondContact O-CB 3.3Å; M308-H312 PolarHBondContact O-N 2.96Å; E309-H312 PolarHBondContact O-N 3.44Å; H312-E315 PolarHBondContact O-N 3.18Å; H312-Q316 PolarHBondContact CE1-NE2 2.97Å; H312-Q316 PolarHBondContact NE2-NE2 3.46Å; H312-Q316 WeakPolarHBondContact O-CG 3.43Å; H312-Q316 PolarHBondContact O-N 2.97Å
313	A	92.8	Very high	91.9	Very high	34 Å²	34	70 Å²	70	28%	0.281	35%	0.348	S	S	.	.	H	α-helix	trans	-64.5	-38.4	174.7	0	0	0	0	0	112.2	M240 E309 N310 Q316 I317	M240-A313 HydrophobicContact CE-CB 3.45Å; M240-A313 VanDerWaalsContact CE-CB 3.45Å; E309-A313 WeakPolarHBondContact O-CB 3.39Å; E309-A313 PolarHBondContact O-N 3.49Å; N310-A313 PolarHBondContact O-N 2.96Å; A313-Q316 PolarHBondContact O-N 3.04Å; A313-I317 WeakPolarHBondContact O-CG1 3.45Å; A313-I317 PolarHBondContact O-N 3.45Å
314	L	93.9	Very high	92.4	Very high	14 Å²	14	64.6 Å²	64.6	7%	0.073	32%	0.319	C	S	.	.	H	α-helix	trans	-65.1	-39.9	173	179.2	55	0	0	0	112.1	M240 V292 A296 L306 N310 S311 I317 N318	M240-L314 HydrophobicContact CE-CB 4.2Å; M240-L314 HydrophobicContact SD-CB 4.11Å; V292-L314 HydrophobicContact CB-CD1 4.29Å; V292-L314 HydrophobicContact CG1-CD1 3.57Å; V292-L314 HydrophobicContact CG1-CD2 4.41Å; A296-L314 HydrophobicContact CB-CD2 3.68Å; L306-L314 HydrophobicContact CD1-CD2 4.21Å; N310-L314 WeakPolarHBondContact O-CB 3.19Å; N310-L314 PolarHBondContact O-N 3.35Å; S311-L314 PolarHBondContact O-N 3.37Å; L314-I317 PolarHBondContact O-N 2.91Å; L314-N318 WeakPolarHBondContact CD1-ND2 3.47Å; L314-N318 WeakPolarHBondContact O-CB 3.49Å; L314-N318 PolarHBondContact O-N 2.83Å; L314-N318 PolarHBondContact O-ND2 3.38Å
315	E	94.9	Very high	92.8	Very high	124 Å²	124	69 Å²	69	58%	0.579	34%	0.34	S	S	*	.	H	α-helix	trans	-62.6	-45.2	173.2	-174.7	172.4	-154.8	0	0	111.4	S311 H312 I317 N318 V319	S311-E315 PolarHBondContact O-N 3.18Å; H312-E315 PolarHBondContact O-N 3.18Å; E315-I317 PolarHBondContact O-N 2.93Å; E315-N318 WeakPolarHBondContact O-CB 3.45Å; E315-N318 PolarHBondContact O-N 3.43Å; E315-V319 HydrophobicContact CG-CG2 4.38Å; E315-V319 WeakPolarHBondContact O-CG2 3.38Å; E315-V319 PolarHBondContact O-N 3.46Å
316	Q	95.6	Very high	93.1	Very high	100 Å²	100	65.8 Å²	65.8	47%	0.467	34%	0.335	S	S	.	.	H	α-helix	trans	-59.7	-44.1	176.1	-73.4	-169.9	4	0	0	112.7	H312 A313 V319 R320	H312-Q316 PolarHBondContact CE1-NE2 2.97Å; H312-Q316 PolarHBondContact NE2-NE2 3.46Å; H312-Q316 WeakPolarHBondContact O-CG 3.43Å; H312-Q316 PolarHBondContact O-N 2.97Å; A313-Q316 PolarHBondContact O-N 3.04Å; Q316-V319 PolarHBondContact O-N 2.86Å; Q316-R320 WeakPolarHBondContact O-CB 3.46Å; Q316-R320 VanDerWaalsContact O-CG 3.29Å; Q316-R320 WeakPolarHBondContact O-CG 3.48Å; Q316-R320 PolarHBondContact O-N 3.49Å
317	I	95.4	Very high	93.4	Very high	7 Å²	7	65 Å²	65	4%	0.036	33%	0.332	C	S	.	.	H	α-helix	trans	-60.1	-46.7	175.5	-73.2	166.4	0	0	0	110.4	M240 L243 L247 V289 A313 L314 E315 V319 R320 W321	M240-I317 HydrophobicContact CB-CD1 3.7Å; M240-I317 HydrophobicContact CE-CD1 4.33Å; M240-I317 HydrophobicContact CG-CD1 3.8Å; M240-I317 WeakPolarHBondContact O-CD1 3.44Å; L243-I317 HydrophobicContact CB-CG2 4.2Å; L243-I317 HydrophobicContact CD1-CG2 4.26Å; L247-I317 HydrophobicContact CD1-CB 4.4Å; L247-I317 HydrophobicContact CD1-CG1 4.45Å; L247-I317 HydrophobicContact CD1-CG2 3.98Å; V289-I317 HydrophobicContact CG2-CG2 4.14Å; A313-I317 WeakPolarHBondContact O-CG1 3.45Å; A313-I317 PolarHBondContact O-N 3.45Å; L314-I317 PolarHBondContact O-N 2.91Å; E315-I317 PolarHBondContact O-N 2.93Å; I317-V319 PolarHBondContact O-N 3.37Å; I317-R320 PolarHBondContact O-N 3.13Å; I317-W321 VanDerWaalsContact O-CB 3.26Å; I317-W321 WeakPolarHBondContact O-CB 3.45Å; I317-W321 PolarHBondContact O-N 2.96Å
318	N	95.8	Very high	93.6	Very high	24 Å²	24	64.1 Å²	64.1	13%	0.128	33%	0.326	C	S	.	.	H	α-helix	trans	-61.1	-39.5	176.7	-86.6	-69.1	0	0	0	113.1	N293 L314 E315 K322	N293-N318 PolarHBondContact ND2-ND2 3.32Å; N293-N318 PolarHBondContact ND2-OD1 3.25Å; N293-N318 PolarHBondContact OD1-ND2 3.3Å; L314-N318 WeakPolarHBondContact CD1-ND2 3.47Å; L314-N318 WeakPolarHBondContact O-CB 3.49Å; L314-N318 PolarHBondContact O-N 2.83Å; L314-N318 PolarHBondContact O-ND2 3.38Å; E315-N318 WeakPolarHBondContact O-CB 3.45Å; E315-N318 PolarHBondContact O-N 3.43Å; N318-K322 WeakPolarHBondContact O-CD 3.34Å; N318-K322 VanDerWaalsContact O-CG 3.25Å; N318-K322 WeakPolarHBondContact O-CG 3.5Å; N318-K322 PolarHBondContact O-N 3.04Å
319	V	95.8	Very high	93.8	Very high	63 Å²	63	58.8 Å²	58.8	38%	0.382	30%	0.304	S	S	.	.	H	α-helix	trans	-70.7	-48.6	178.3	169.9	0	0	0	0	111.1	E315 Q316 I317 W321 K322 Q323	E315-V319 HydrophobicContact CG-CG2 4.38Å; E315-V319 WeakPolarHBondContact O-CG2 3.38Å; E315-V319 PolarHBondContact O-N 3.46Å; Q316-V319 PolarHBondContact O-N 2.86Å; I317-V319 PolarHBondContact O-N 3.37Å; V319-W321 PolarHBondContact O-N 3.07Å; V319-K322 PolarHBondContact O-N 2.9Å; V319-Q323 HydrophobicContact CG1-CG 4.45Å; V319-Q323 WeakPolarHBondContact O-CG 3.47Å; V319-Q323 PolarHBondContact O-N 2.9Å
320	R	95.4	Very high	94.1	Very high	48 Å²	48	56.7 Å²	56.7	18%	0.181	30%	0.295	C	S	.	.	H	α-helix	trans	-58	-47.4	177.3	-74.4	171.9	70.1	-165.4	8.5	111.6	S244 L247 S248 E251 Q316 I317 K322 Q323 L324	S244-R320 PolarHBondContact OG-NH1 3.04Å; L247-R320 HydrophobicContact CD1-CB 4.13Å; L247-R320 HydrophobicContact CD2-CB 4.43Å; S248-R320 PolarHBondContact OG-NH2 3.12Å; E251-R320 WeakPolarHBondContact OE1-CB 3.35Å; E251-R320 IonicContact OE1-CZ 3.61Å; E251-R320 IonicContact OE1-NE 2.74Å; E251-R320 PolarHBondContact OE1-NE 2.7Å; E251-R320 IonicContact OE1-NH2 2.72Å; E251-R320 PolarHBondContact OE1-NH2 3.44Å; E251-R320 IonicContact OE2-CZ 3.71Å; E251-R320 IonicContact OE2-NE 3.7Å; E251-R320 PolarHBondContact OE2-NE 3.19Å; E251-R320 IonicContact OE2-NH2 2.82Å; E251-R320 PolarHBondContact OE2-NH2 3.27Å; Q316-R320 WeakPolarHBondContact O-CB 3.46Å; Q316-R320 VanDerWaalsContact O-CG 3.29Å; Q316-R320 WeakPolarHBondContact O-CG 3.48Å; Q316-R320 PolarHBondContact O-N 3.49Å; I317-R320 PolarHBondContact O-N 3.13Å; R320-K322 PolarHBondContact O-N 3.38Å; R320-Q323 PolarHBondContact O-N 3.33Å; R320-L324 WeakPolarHBondContact O-CB 3.4Å; R320-L324 PolarHBondContact O-N 3.03Å
321	W	94.2	Very high	94.4	Very high	27 Å²	27	57.2 Å²	57.2	10%	0.102	30%	0.295	C	S	.	.	H	α-helix	trans	-56.1	-49.2	175.7	171.1	-118.8	0	0	0	112.6	L247 F282 M285 K286 V289 I317 V319 Q323 L324 Q325	L247-W321 HydrophobicContact CD2-CB 4.24Å; L247-W321 HydrophobicContact CD2-CE3 4.32Å; F282-W321 HydrophobicContact CB-CH2 4.16Å; F282-W321 HydrophobicContact CB-CZ3 4.04Å; M285-W321 HydrophobicContact CB-CE3 4.5Å; M285-W321 HydrophobicContact CB-CH2 4.47Å; M285-W321 HydrophobicContact CB-CZ3 4.03Å; M285-W321 HydrophobicContact CG-CE3 3.76Å; M285-W321 HydrophobicContact CG-CZ3 3.77Å; M285-W321 HydrophobicContact SD-CE3 3.42Å; M285-W321 HydrophobicContact SD-CZ3 3.47Å; M285-W321 WeakPolarHBondContact SD-CZ3 3.35Å; K286-W321 HydrophobicContact CB-CH2 4.01Å; K286-W321 HydrophobicContact CB-CZ2 3.51Å; K286-W321 HydrophobicContact CG-CZ2 3.95Å; V289-W321 HydrophobicContact CG1-CG 4.45Å; V289-W321 HydrophobicContact CG2-CB 4.23Å; V289-W321 HydrophobicContact CG2-CD2 4.49Å; V289-W321 HydrophobicContact CG2-CG 4.04Å; I317-W321 VanDerWaalsContact O-CB 3.26Å; I317-W321 WeakPolarHBondContact O-CB 3.45Å; I317-W321 PolarHBondContact O-N 2.96Å; V319-W321 PolarHBondContact O-N 3.07Å; W321-Q323 PolarHBondContact O-N 2.91Å; W321-L324 HydrophobicContact CE3-CD2 4.43Å; W321-L324 PolarHBondContact O-N 3.47Å; W321-Q325 WeakPolarHBondContact O-CB 3.32Å; W321-Q325 PolarHBondContact O-N 3.37Å
322	K	94.3	Very high	94.5	Very high	131 Å²	131	55.9 Å²	55.9	57%	0.57	28%	0.284	S	S	*	.	H	α-helix	trans	-62.3	-41.2	177.8	-72.8	169.1	-174.8	172.7	0	112.2	N318 V319 R320 Q325 A326	N318-K322 WeakPolarHBondContact O-CD 3.34Å; N318-K322 VanDerWaalsContact O-CG 3.25Å; N318-K322 WeakPolarHBondContact O-CG 3.5Å; N318-K322 PolarHBondContact O-N 3.04Å; V319-K322 PolarHBondContact O-N 2.9Å; R320-K322 PolarHBondContact O-N 3.38Å; K322-Q325 PolarHBondContact O-N 2.89Å; K322-A326 WeakPolarHBondContact O-CB 3.37Å; K322-A326 PolarHBondContact O-N 2.89Å
323	Q	94.8	Very high	94.5	Very high	108 Å²	108	57 Å²	57	51%	0.505	29%	0.288	S	S	.	.	H	α-helix	trans	-65.6	-41.1	177.1	-71.7	178.7	8.7	0	0	112.4	V319 R320 W321 S327	V319-Q323 HydrophobicContact CG1-CG 4.45Å; V319-Q323 WeakPolarHBondContact O-CG 3.47Å; V319-Q323 PolarHBondContact O-N 2.9Å; R320-Q323 PolarHBondContact O-N 3.33Å; W321-Q323 PolarHBondContact O-N 2.91Å; Q323-S327 WeakPolarHBondContact O-CB 3.35Å; Q323-S327 PolarHBondContact O-N 3.36Å; Q323-S327 PolarHBondContact O-OG 3.22Å
324	L	93.9	Very high	94.5	Very high	4 Å²	4	59 Å²	59	2%	0.021	29%	0.291	C	S	.	.	H	α-helix	trans	-63.7	-49.3	174.5	179.7	66.9	0	0	0	111	L247 A250 R254 M285 R320 W321 A326 S327 V328	L247-L324 HydrophobicContact CD2-CD2 3.98Å; A250-L324 HydrophobicContact CB-CD1 4.32Å; A250-L324 HydrophobicContact CB-CD2 3.55Å; R254-L324 HydrophobicContact CB-CD1 4.43Å; M285-L324 HydrophobicContact SD-CD2 4.26Å; R320-L324 WeakPolarHBondContact O-CB 3.4Å; R320-L324 PolarHBondContact O-N 3.03Å; W321-L324 HydrophobicContact CE3-CD2 4.43Å; W321-L324 PolarHBondContact O-N 3.47Å; L324-A326 VanDerWaalsContact C-N 3.32Å; L324-A326 PolarHBondContact O-N 3.33Å; L324-S327 PolarHBondContact O-N 3.17Å; L324-S327 VanDerWaalsContact O-N 3.12Å; L324-V328 HydrophobicContact CD1-CG2 4.38Å; L324-V328 WeakPolarHBondContact O-CG2 3.35Å; L324-V328 PolarHBondContact O-N 3.46Å
325	Q	93.9	Very high	94.5	Very high	96 Å²	96	58.4 Å²	58.4	45%	0.449	29%	0.288	S	S	.	.	H	α-helix	trans	-59.3	-41.3	178.8	-171.2	-174	12.4	0	0	112.3	W321 K322 S329	W321-Q325 WeakPolarHBondContact O-CB 3.32Å; W321-Q325 PolarHBondContact O-N 3.37Å; K322-Q325 PolarHBondContact O-N 2.89Å; Q325-S329 WeakPolarHBondContact O-CB 3.49Å; Q325-S329 PolarHBondContact O-N 2.97Å; Q325-S329 VanDerWaalsContact O-N 3.17Å; Q325-S329 PolarHBondContact O-OG 3.04Å
326	A	94.2	Very high	94.2	Very high	59 Å²	59	56.5 Å²	56.5	49%	0.488	28%	0.28	S	S	.	.	H	α-helix	trans	-63.1	-48.5	173	0	0	0	0	0	111.2	K322 L324 V328 S329 E330	K322-A326 WeakPolarHBondContact O-CB 3.37Å; K322-A326 PolarHBondContact O-N 2.89Å; L324-A326 VanDerWaalsContact C-N 3.32Å; L324-A326 PolarHBondContact O-N 3.33Å; A326-V328 PolarHBondContact O-N 2.94Å; A326-S329 PolarHBondContact O-N 3.28Å; A326-S329 VanDerWaalsContact O-N 3.15Å; A326-E330 WeakPolarHBondContact O-CB 3.5Å; A326-E330 PolarHBondContact O-N 2.82Å
327	S	94.3	Very high	93.8	Very high	17 Å²	17	53.7 Å²	53.7	12%	0.119	27%	0.268	C	S	.	.	H	α-helix	trans	-62	-40.6	-178.8	-58.3	0	0	0	0	113.4	R254 Q323 L324 R331	R254-S327 PolarHBondContact NE-OG 3.5Å; R254-S327 PolarHBondContact NH2-OG 3.35Å; Q323-S327 WeakPolarHBondContact O-CB 3.35Å; Q323-S327 PolarHBondContact O-N 3.36Å; Q323-S327 PolarHBondContact O-OG 3.22Å; L324-S327 PolarHBondContact O-N 3.17Å; L324-S327 VanDerWaalsContact O-N 3.12Å; S327-R331 VanDerWaalsContact O-CB 3.29Å; S327-R331 WeakPolarHBondContact O-CB 3.47Å; S327-R331 PolarHBondContact O-N 3.16Å
328	V	94.3	Very high	93.4	Very high	7 Å²	7	54.1 Å²	54.1	4%	0.042	27%	0.272	C	S	.	.	H	α-helix	trans	-63.6	-43.5	174.2	172	0	0	0	0	110.8	W257 I275 F278 K279 L324 A326 L332	W257-V328 HydrophobicContact CH2-CB 4.42Å; W257-V328 HydrophobicContact CH2-CG2 3.82Å; W257-V328 HydrophobicContact CZ2-CG2 4.42Å; I275-V328 HydrophobicContact CG2-CG1 4.31Å; F278-V328 HydrophobicContact CD1-CG2 4.01Å; F278-V328 HydrophobicContact CE1-CG2 3.8Å; K279-V328 HydrophobicContact CB-CG1 3.81Å; K279-V328 HydrophobicContact CD-CG1 4.28Å; K279-V328 HydrophobicContact CG-CG1 4.06Å; L324-V328 HydrophobicContact CD1-CG2 4.38Å; L324-V328 WeakPolarHBondContact O-CG2 3.35Å; L324-V328 PolarHBondContact O-N 3.46Å; A326-V328 PolarHBondContact O-N 2.94Å; V328-L332 WeakPolarHBondContact O-CB 3.3Å; V328-L332 PolarHBondContact O-N 3.3Å
329	S	93.9	Very high	92.8	Very high	50 Å²	50	56 Å²	56	35%	0.35	28%	0.28	S	S	.	.	H	α-helix	trans	-68.8	-40	-179.2	-56.8	0	0	0	0	112	Q325 A326 K333	Q325-S329 WeakPolarHBondContact O-CB 3.49Å; Q325-S329 PolarHBondContact O-N 2.97Å; Q325-S329 VanDerWaalsContact O-N 3.17Å; Q325-S329 PolarHBondContact O-OG 3.04Å; A326-S329 PolarHBondContact O-N 3.28Å; A326-S329 VanDerWaalsContact O-N 3.15Å; S329-K333 WeakPolarHBondContact O-CB 3.49Å; S329-K333 PolarHBondContact O-N 3.08Å; S329-K333 VanDerWaalsContact O-N 3.08Å
330	E	94.9	Very high	92	Very high	114 Å²	114	59.2 Å²	59.2	53%	0.533	29%	0.285	S	S	.	.	H	α-helix	trans	-65.2	-50.3	173.9	178.3	172.6	-156.2	0	0	111.4	A326 L332 K333 Q334	A326-E330 WeakPolarHBondContact O-CB 3.5Å; A326-E330 PolarHBondContact O-N 2.82Å; E330-L332 VanDerWaalsContact C-N 3.32Å; E330-L332 PolarHBondContact O-N 3.21Å; E330-K333 WeakPolarHBondContact O-CB 3.42Å; E330-K333 PolarHBondContact O-N 3.08Å; E330-K333 VanDerWaalsContact O-N 3.11Å; E330-Q334 HydrophobicContact CG-CG 4.15Å; E330-Q334 VanDerWaalsContact CG-NE2 3.32Å; E330-Q334 WeakPolarHBondContact O-CG 3.42Å; E330-Q334 PolarHBondContact O-N 3.45Å; E330-Q334 PolarHBondContact OE1-NE2 3.09Å
331	R	95	Very high	91.1	Very high	26 Å²	26	59.6 Å²	59.6	10%	0.098	29%	0.291	C	S	.	.	H	α-helix	trans	-59.5	-42.3	179	179.1	58	177.1	-135.6	-1.1	112	W257 E258 I275 S327 Q334 L335	W257-R331 HydrophobicContact CD2-CG 4.21Å; W257-R331 HydrophobicContact CE3-CB 3.88Å; W257-R331 HydrophobicContact CE3-CG 3.66Å; W257-R331 HydrophobicContact CH2-CB 4.23Å; W257-R331 HydrophobicContact CH2-CG 4.45Å; W257-R331 HydrophobicContact CZ3-CB 3.53Å; W257-R331 HydrophobicContact CZ3-CG 3.79Å; E258-R331 PolarHBondContact O-NH1 3.4Å; E258-R331 PolarHBondContact O-NH2 2.94Å; I275-R331 HydrophobicContact CD1-CG 4.15Å; I275-R331 HydrophobicContact CG1-CG 4.31Å; S327-R331 VanDerWaalsContact O-CB 3.29Å; S327-R331 WeakPolarHBondContact O-CB 3.47Å; S327-R331 PolarHBondContact O-N 3.16Å; R331-Q334 PolarHBondContact O-N 2.66Å; R331-L335 HydrophobicContact CG-CD1 4.12Å; R331-L335 WeakPolarHBondContact O-CB 3.36Å; R331-L335 WeakPolarHBondContact O-CG 3.49Å; R331-L335 PolarHBondContact O-N 2.73Å
332	L	95.1	Very high	90.3	Very high	18 Å²	18	63.2 Å²	63.2	9%	0.094	31%	0.307	C	S	.	.	H	α-helix	trans	-60.1	-46	175.1	-178.4	58.8	0	0	0	111.2	I272 I275 K276 V328 E330 L335 Q336	I272-L332 HydrophobicContact CG2-CD1 4.12Å; I275-L332 HydrophobicContact CB-CD1 4.49Å; I275-L332 HydrophobicContact CG2-CB 3.81Å; I275-L332 HydrophobicContact CG2-CD1 4.2Å; K276-L332 HydrophobicContact CG-CD1 4.13Å; V328-L332 WeakPolarHBondContact O-CB 3.3Å; V328-L332 PolarHBondContact O-N 3.3Å; E330-L332 VanDerWaalsContact C-N 3.32Å; E330-L332 PolarHBondContact O-N 3.21Å; L332-L335 PolarHBondContact O-N 2.99Å; L332-Q336 HydrophobicContact CD1-CG 4.38Å; L332-Q336 WeakPolarHBondContact O-CB 3.21Å; L332-Q336 VanDerWaalsContact O-CG 3.24Å; L332-Q336 WeakPolarHBondContact O-CG 3.34Å; L332-Q336 PolarHBondContact O-N 3.49Å
333	K	93.2	Very high	89.3	Confident	125 Å²	125	57.1 Å²	57.1	54%	0.543	28%	0.282	S	S	.	.	H	α-helix	trans	-61.4	-50.5	177.1	-173	-162.3	167.2	-166.6	0	111.3	S329 E330 L335 Q336 D337	S329-K333 WeakPolarHBondContact O-CB 3.49Å; S329-K333 PolarHBondContact O-N 3.08Å; S329-K333 VanDerWaalsContact O-N 3.08Å; E330-K333 WeakPolarHBondContact O-CB 3.42Å; E330-K333 PolarHBondContact O-N 3.08Å; E330-K333 VanDerWaalsContact O-N 3.11Å; K333-L335 VanDerWaalsContact C-N 3.3Å; K333-L335 PolarHBondContact O-N 2.91Å; K333-Q336 CarbonylContact O-C 3.08Å; K333-Q336 WeakPolarHBondContact O-CB 3.32Å; K333-Q336 PolarHBondContact O-N 3.38Å; K333-Q336 VanDerWaalsContact O-N 3.08Å; K333-D337 VanDerWaalsContact CE-OD2 3.23Å; K333-D337 WeakPolarHBondContact CE-OD2 3.45Å; K333-D337 WeakPolarHBondContact O-CB 3.32Å; K333-D337 PolarHBondContact O-N 3.46Å
334	Q	92.8	Very high	87.9	Confident	77 Å²	77	56 Å²	56	36%	0.36	28%	0.284	S	S	.	.	H	α-helix	trans	-60.6	-38.1	-178.6	-66.4	172.7	-5.2	0	0	112.1	I260 E330 R331 A338	I260-Q334 HydrophobicContact CD1-CB 3.3Å; I260-Q334 HydrophobicContact CD1-CG 4.36Å; E330-Q334 HydrophobicContact CG-CG 4.15Å; E330-Q334 VanDerWaalsContact CG-NE2 3.32Å; E330-Q334 WeakPolarHBondContact O-CG 3.42Å; E330-Q334 PolarHBondContact O-N 3.45Å; E330-Q334 PolarHBondContact OE1-NE2 3.09Å; R331-Q334 PolarHBondContact O-N 2.66Å; Q334-A338 WeakPolarHBondContact O-CB 3.02Å; Q334-A338 PolarHBondContact O-N 3.09Å
335	L	92.9	Very high	86.5	Confident	1 Å²	1	58.2 Å²	58.2	1%	0.005	31%	0.308	C	S	.	.	H	α-helix	trans	-67.6	-39.5	173.6	-72.3	171	0	0	0	112.3	I260 L263 L268 H271 I272 I275 R331 L332 K333 A338 H339	I260-L335 HydrophobicContact CD1-CD2 4.14Å; I260-L335 HydrophobicContact CD1-CG 4.21Å; I260-L335 HydrophobicContact CG1-CD2 3.98Å; I260-L335 HydrophobicContact CG2-CD2 4.35Å; L263-L335 HydrophobicContact CD1-CD2 3.62Å; L268-L335 HydrophobicContact CD2-CD2 3.89Å; H271-L335 HydrophobicContact CB-CD1 4.09Å; H271-L335 HydrophobicContact CB-CD2 4.28Å; I272-L335 HydrophobicContact CD1-CB 4.47Å; I272-L335 HydrophobicContact CG1-CB 3.71Å; I275-L335 HydrophobicContact CG1-CD1 3.88Å; R331-L335 HydrophobicContact CG-CD1 4.12Å; R331-L335 WeakPolarHBondContact O-CB 3.36Å; R331-L335 WeakPolarHBondContact O-CG 3.49Å; R331-L335 PolarHBondContact O-N 2.73Å; L332-L335 PolarHBondContact O-N 2.99Å; K333-L335 VanDerWaalsContact C-N 3.3Å; K333-L335 PolarHBondContact O-N 2.91Å; L335-A338 PolarHBondContact O-N 3.23Å; L335-H339 WeakPolarHBondContact O-CB 3.44Å; L335-H339 PolarHBondContact O-N 2.91Å
336	Q	89.4	Confident	85.5	Confident	85 Å²	85	54.6 Å²	54.6	40%	0.397	29%	0.293	S	S	.	.	H	α-helix	trans	-67.2	-38.8	175.3	-73.8	172.7	-27.9	0	0	112.4	I272 L332 K333 H339 R340	I272-Q336 HydrophobicContact CD1-CG 4.21Å; I272-Q336 HydrophobicContact CG1-CG 4.38Å; I272-Q336 HydrophobicContact CG2-CG 4.39Å; L332-Q336 HydrophobicContact CD1-CG 4.38Å; L332-Q336 WeakPolarHBondContact O-CB 3.21Å; L332-Q336 VanDerWaalsContact O-CG 3.24Å; L332-Q336 WeakPolarHBondContact O-CG 3.34Å; L332-Q336 PolarHBondContact O-N 3.49Å; K333-Q336 CarbonylContact O-C 3.08Å; K333-Q336 WeakPolarHBondContact O-CB 3.32Å; K333-Q336 PolarHBondContact O-N 3.38Å; K333-Q336 VanDerWaalsContact O-N 3.08Å; Q336-H339 PolarHBondContact O-N 2.95Å; Q336-R340 WeakPolarHBondContact O-CB 3.43Å; Q336-R340 PolarHBondContact O-N 3.36Å
337	D	86.5	Confident	84.9	Confident	41 Å²	41	52 Å²	52	22%	0.219	27%	0.271	C	S	.	.	H	α-helix	trans	-61.1	-52.5	172.3	-74.5	-37.2	0	0	0	109.7	K333 H339 R340 D341	K333-D337 VanDerWaalsContact CE-OD2 3.23Å; K333-D337 WeakPolarHBondContact CE-OD2 3.45Å; K333-D337 WeakPolarHBondContact O-CB 3.32Å; K333-D337 PolarHBondContact O-N 3.46Å; D337-H339 VanDerWaalsContact C-N 3.34Å; D337-H339 PolarHBondContact O-N 2.99Å; D337-R340 WeakPolarHBondContact O-CB 3.41Å; D337-R340 PolarHBondContact O-N 2.8Å; D337-R340 IonicContact OD1-CZ 3.26Å; D337-R340 IonicContact OD1-NH1 3.98Å; D337-R340 PolarHBondContact OD1-NH1 2.97Å; D337-R340 IonicContact OD1-NH2 3.78Å; D337-R340 PolarHBondContact OD1-NH2 3.06Å; D337-D341 WeakPolarHBondContact O-CB 3.47Å; D337-D341 VanDerWaalsContact O-CG 3.24Å; D337-D341 PolarHBondContact O-N 3.27Å
338	A	86.1	Confident	84.3	Confident	15 Å²	15	55.3 Å²	55.3	12%	0.124	28%	0.284	C	S	.	.	H	α-helix	trans	-58.8	-40.2	176.7	0	0	0	0	0	113.1	I260 L268 Q334 L335 D341 F342	I260-A338 HydrophobicContact CG2-CB 3.8Å; L268-A338 HydrophobicContact CD1-CB 4.21Å; Q334-A338 WeakPolarHBondContact O-CB 3.02Å; Q334-A338 PolarHBondContact O-N 3.09Å; L335-A338 PolarHBondContact O-N 3.23Å; A338-D341 PolarHBondContact O-N 2.8Å; A338-F342 WeakPolarHBondContact O-CB 3.36Å; A338-F342 PolarHBondContact O-N 2.82Å
339	H	83.7	Confident	83.9	Confident	64 Å²	64	58.7 Å²	58.7	30%	0.296	30%	0.298	S	S	.	.	H	α-helix	trans	-71.9	-33.3	178	-175.4	69.5	0	0	0	112.9	L268 I272 L335 Q336 D337 G343	L268-H339 HydrophobicContact CB-CB 4.12Å; L268-H339 HydrophobicContact CD1-CB 4.19Å; I272-H339 HydrophobicContact CD1-CB 3.66Å; L335-H339 WeakPolarHBondContact O-CB 3.44Å; L335-H339 PolarHBondContact O-N 2.91Å; Q336-H339 PolarHBondContact O-N 2.95Å; D337-H339 VanDerWaalsContact C-N 3.34Å; D337-H339 PolarHBondContact O-N 2.99Å; H339-G343 VanDerWaalsContact O-CA 3.24Å; H339-G343 WeakPolarHBondContact O-CA 3.37Å; H339-G343 PolarHBondContact O-N 2.65Å
340	R	79.7	Confident	83.8	Confident	131 Å²	131	56.3 Å²	56.3	49%	0.494	28%	0.282	S	S	.	.	H	α-helix	trans	-64.8	-43.7	170.1	176.2	-167.7	64	-121.8	-10.4	111.3	Q336 D337 S346	Q336-R340 WeakPolarHBondContact O-CB 3.43Å; Q336-R340 PolarHBondContact O-N 3.36Å; D337-R340 WeakPolarHBondContact O-CB 3.41Å; D337-R340 PolarHBondContact O-N 2.8Å; D337-R340 IonicContact OD1-CZ 3.26Å; D337-R340 IonicContact OD1-NH1 3.98Å; D337-R340 PolarHBondContact OD1-NH1 2.97Å; D337-R340 IonicContact OD1-NH2 3.78Å; D337-R340 PolarHBondContact OD1-NH2 3.06Å; R340-S346 VanDerWaalsContact O-CB 3.3Å; R340-S346 WeakPolarHBondContact O-CB 3.43Å
341	D	75.9	Confident	83.4	Confident	55 Å²	55	53.3 Å²	53.3	29%	0.294	27%	0.274	S	S	.	.	H	α-helix	trans	-89.2	-22.6	-167.6	-62.3	-24.6	0	0	0	112.9	D337 A338 S346 H348	D337-D341 WeakPolarHBondContact O-CB 3.47Å; D337-D341 VanDerWaalsContact O-CG 3.24Å; D337-D341 PolarHBondContact O-N 3.27Å; A338-D341 PolarHBondContact O-N 2.8Å; D341-S346 VanDerWaalsContact C-CB 3.48Å; D341-S346 VanDerWaalsContact O-CB 3.26Å; D341-S346 WeakPolarHBondContact O-CB 2.78Å; D341-S346 PolarHBondContact O-OG 3.03Å; D341-H348 WeakPolarHBondContact O-CB 3.41Å
342	F	78.3	Confident	83.2	Confident	103 Å²	103	55.1 Å²	55.1	45%	0.452	29%	0.29	S	S	.	.	H	α-helix	trans	-126.2	-12.5	179.1	-60.9	-85	0	0	0	114.9	I265 A338 S346 H348	I265-F342 HydrophobicContact CD1-CB 4.03Å; I265-F342 HydrophobicContact CG1-CB 4.14Å; I265-F342 WeakPolarHBondContact CG2-O 3.28Å; A338-F342 WeakPolarHBondContact O-CB 3.36Å; A338-F342 PolarHBondContact O-N 2.82Å; F342-S346 PolarHBondContact O-OG 2.9Å; F342-H348 AromaticContact CE1-CE1 3.76Å; F342-H348 AromaticContact CE1-ND1 3.41Å; F342-H348 WeakPolarHBondContact CE1-ND1 3.5Å; F342-H348 AromaticContact CZ-CE1 3.74Å; F342-H348 AromaticContact CZ-ND1 3.78Å
343	G	73.6	Confident	83.1	Confident	3 Å²	3	54.4 Å²	54.4	3%	0.031	29%	0.287	C	S	.	.	S	Bend	trans	-67.2	176.3	-179.3	0	0	0	0	0	114.5	H339 G345 S346	H339-G343 VanDerWaalsContact O-CA 3.24Å; H339-G343 WeakPolarHBondContact O-CA 3.37Å; H339-G343 PolarHBondContact O-N 2.65Å; G343-G345 PolarHBondContact O-N 2.9Å; G343-S346 WeakPolarHBondContact O-CB 3.39Å; G343-S346 PolarHBondContact O-N 3.36Å; G343-S346 PolarHBondContact O-OG 2.84Å
344	P	63.6	Low	83.1	Confident	85 Å²	85	49.1 Å²	49.1	55%	0.552	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-13	-175	-25.9	35.5	0	0	0	116.1	H449	P344-H449 PolarHBondContact O-CE1 3.11Å; P344-H449 VanDerWaalsContact O-CE1 3.31Å
345	G	65	Low	83	Confident	51 Å²	51	52.9 Å²	52.9	53%	0.526	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.8	6.7	173	0	0	0	0	0	114.7	G343	G343-G345 PolarHBondContact O-N 2.9Å
346	S	73.7	Confident	82.8	Confident	20 Å²	20	59.7 Å²	59.7	14%	0.14	32%	0.324	C	S	.	.			trans	-87.8	151.8	-173.1	74.7	0	0	0	0	112.6	R340 D341 F342 G343	R340-S346 VanDerWaalsContact O-CB 3.3Å; R340-S346 WeakPolarHBondContact O-CB 3.43Å; D341-S346 VanDerWaalsContact C-CB 3.48Å; D341-S346 VanDerWaalsContact O-CB 3.26Å; D341-S346 WeakPolarHBondContact O-CB 2.78Å; D341-S346 PolarHBondContact O-OG 3.03Å; F342-S346 PolarHBondContact O-OG 2.9Å; G343-S346 WeakPolarHBondContact O-CB 3.39Å; G343-S346 PolarHBondContact O-N 3.36Å; G343-S346 PolarHBondContact O-OG 2.84Å
347	Q	81.9	Confident	83	Confident	5 Å²	5	57.3 Å²	57.3	2%	0.023	32%	0.316	C	S	.	.			trans	-115.5	15.3	172.9	-51.3	179.9	11.9	0	0	111.7	F349 L350 R360 I362 K366 V445 I448	Q347-F349 VanDerWaalsContact C-N 3.31Å; Q347-F349 PolarHBondContact O-N 2.82Å; Q347-L350 HydrophobicContact CB-CD1 4.5Å; Q347-L350 WeakPolarHBondContact O-CB 3.42Å; Q347-L350 PolarHBondContact O-N 2.77Å; Q347-R360 VanDerWaalsContact OE1-NH2 3.1Å; Q347-I362 HydrophobicContact CB-CD1 3.87Å; Q347-I362 HydrophobicContact CG-CD1 4.16Å; Q347-K366 PolarHBondContact NE2-O 3.25Å; Q347-V445 HydrophobicContact CG-CG2 4.34Å; Q347-I448 HydrophobicContact CB-CD1 4.23Å; Q347-I448 HydrophobicContact CG-CD1 3.58Å
348	H	81.3	Confident	83.5	Confident	86 Å²	86	58.4 Å²	58.4	40%	0.398	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	-67.6	-27.2	-167.3	-178.9	-98.4	0	0	0	113.5	D341 F342 L350 S351	D341-H348 WeakPolarHBondContact O-CB 3.41Å; F342-H348 AromaticContact CE1-CE1 3.76Å; F342-H348 AromaticContact CE1-ND1 3.41Å; F342-H348 WeakPolarHBondContact CE1-ND1 3.5Å; F342-H348 AromaticContact CZ-CE1 3.74Å; F342-H348 AromaticContact CZ-ND1 3.78Å; H348-L350 PolarHBondContact O-N 3.08Å; H348-S351 WeakPolarHBondContact O-CB 3.48Å; H348-S351 PolarHBondContact O-N 3.15Å; H348-S351 PolarHBondContact O-OG 3Å
349	F	86.1	Confident	83.8	Confident	77 Å²	77	62.1 Å²	62.1	34%	0.338	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	-59.3	-29.4	173.7	82	-86	0	0	0	112.3	Q347 S351 S352 I448 T452 P469	Q347-F349 VanDerWaalsContact C-N 3.31Å; Q347-F349 PolarHBondContact O-N 2.82Å; F349-S351 VanDerWaalsContact C-N 3.28Å; F349-S351 PolarHBondContact O-N 3.17Å; F349-S352 PolarHBondContact O-OG 2.89Å; F349-I448 HydrophobicContact CE1-CG2 3.75Å; F349-I448 HydrophobicContact CZ-CG2 3.78Å; F349-T452 HydrophobicContact CE2-CG2 4.3Å; F349-T452 HydrophobicContact CZ-CG2 4.2Å; F349-T452 WeakPolarHBondContact CZ-OG1 3.35Å; F349-P469 HydrophobicContact CD2-CB 4.44Å; F349-P469 HydrophobicContact CD2-CG 4.28Å
350	L	90.5	Very high	84.3	Confident	0 Å²	0	60 Å²	60	0%	0	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-74.3	-10.1	175.1	-57.9	177.5	0	0	0	113.8	Q347 H348 S352 S353 R360 I448 P469 V472 D473	Q347-L350 HydrophobicContact CB-CD1 4.5Å; Q347-L350 WeakPolarHBondContact O-CB 3.42Å; Q347-L350 PolarHBondContact O-N 2.77Å; H348-L350 PolarHBondContact O-N 3.08Å; L350-S352 PolarHBondContact O-N 3.42Å; L350-S352 VanDerWaalsContact O-N 3.1Å; L350-S353 VanDerWaalsContact O-CB 3.29Å; L350-S353 WeakPolarHBondContact O-CB 3.45Å; L350-S353 PolarHBondContact O-N 3.21Å; L350-S353 PolarHBondContact O-OG 3.46Å; L350-R360 VanDerWaalsContact CD1-NH2 3.3Å; L350-R360 VanDerWaalsContact O-CD 3.25Å; L350-R360 WeakPolarHBondContact O-CD 3.34Å; L350-I448 HydrophobicContact CD1-CD1 3.69Å; L350-I448 HydrophobicContact CD1-CG1 3.92Å; L350-I448 HydrophobicContact CD1-CG2 4.05Å; L350-P469 HydrophobicContact CD2-CB 4.2Å; L350-P469 WeakPolarHBondContact CD2-O 3.29Å; L350-V472 HydrophobicContact CD1-CG1 4.08Å; L350-V472 HydrophobicContact CD2-CB 3.82Å; L350-V472 HydrophobicContact CD2-CG1 3.73Å; L350-D473 HydrophobicContact CD2-CB 4.33Å
351	S	88.3	Confident	84.9	Confident	52 Å²	52	54.5 Å²	54.5	36%	0.364	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-54.9	-29	171.4	63.3	0	0	0	0	112.3	H348 F349 S353 V354	H348-S351 WeakPolarHBondContact O-CB 3.48Å; H348-S351 PolarHBondContact O-N 3.15Å; H348-S351 PolarHBondContact O-OG 3Å; F349-S351 VanDerWaalsContact C-N 3.28Å; F349-S351 PolarHBondContact O-N 3.17Å; S351-S353 VanDerWaalsContact C-N 3.28Å; S351-S353 PolarHBondContact O-N 3.43Å; S351-V354 WeakPolarHBondContact O-CG2 3.39Å
352	S	89.8	Confident	85.6	Confident	64 Å²	64	55.4 Å²	55.4	45%	0.448	31%	0.307	S	S	.	.	G	3₁₀ helix	trans	-74	-4.3	176.7	68.7	0	0	0	0	115.6	F349 L350 V354 P469	F349-S352 PolarHBondContact O-OG 2.89Å; L350-S352 PolarHBondContact O-N 3.42Å; L350-S352 VanDerWaalsContact O-N 3.1Å; S352-V354 VanDerWaalsContact C-N 3.31Å; S352-P469 VanDerWaalsContact OG-CB 3.3Å; S352-P469 WeakPolarHBondContact OG-CB 3.34Å; S352-P469 WeakPolarHBondContact OG-CG 3.34Å
353	S	92.8	Very high	86.2	Confident	2 Å²	2	51.3 Å²	51.3	1%	0.014	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-67.1	-33.8	176	70.5	0	0	0	0	112.4	L350 S351 K384 D473	L350-S353 VanDerWaalsContact O-CB 3.29Å; L350-S353 WeakPolarHBondContact O-CB 3.45Å; L350-S353 PolarHBondContact O-N 3.21Å; L350-S353 PolarHBondContact O-OG 3.46Å; S351-S353 VanDerWaalsContact C-N 3.28Å; S351-S353 PolarHBondContact O-N 3.43Å; S353-K384 PolarHBondContact O-NZ 3.02Å; S353-D473 WeakPolarHBondContact CB-OD2 3.44Å; S353-D473 PolarHBondContact OG-OD2 3.02Å
354	V	93.8	Very high	86.7	Confident	14 Å²	14	57.3 Å²	57.3	9%	0.085	33%	0.33	C	S	.	.	S	Bend	trans	-107.5	167.9	-178.7	-66.1	0	0	0	0	112.4	S351 S352 W358 R360 Y370 H382 P383	S351-V354 WeakPolarHBondContact O-CG2 3.39Å; S352-V354 VanDerWaalsContact C-N 3.31Å; V354-W358 HydrophobicContact CB-CB 4.02Å; V354-W358 HydrophobicContact CG1-CB 4.38Å; V354-R360 HydrophobicContact CG2-CB 3.9Å; V354-Y370 HydrophobicContact CG1-CD1 3.8Å; V354-Y370 HydrophobicContact CG1-CE1 4.01Å; V354-H382 WeakPolarHBondContact CG1-NE2 3.21Å; V354-P383 HydrophobicContact CG1-CG 3.81Å
355	Q	90.8	Very high	87.7	Confident	156 Å²	156	57.8 Å²	57.8	73%	0.729	33%	0.328	S	S	*	.			trans	-144.5	151	179.3	-65.5	-178.8	-18.7	0	0	109.3	W358	Q355-W358 CarbonylContact C-O 3.6Å; Q355-W358 WeakPolarHBondContact O-CB 3.43Å; Q355-W358 PolarHBondContact O-N 3.28Å
356	V	88.6	Confident	88.8	Confident	144 Å²	144	60.6 Å²	60.6	87%	0.873	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-43.8	128.9	175.9	-178.8	0	0	0	0	110.5
357	P	93.4	Very high	89.7	Confident	35 Å²	35	59.7 Å²	59.7	23%	0.227	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	cis	-86	9.8	14.6	36.8	-39.4	0	0	0	115.9	H373 Q374	P357-H373 PolarHBondContact O-N 3.45Å; P357-Q374 HydrophobicContact CB-CB 3.66Å; P357-Q374 HydrophobicContact CG-CB 4.05Å
358	W	95.8	Very high	90.3	Very high	65 Å²	65	59.5 Å²	59.5	25%	0.246	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	139.8	-178.4	-64.4	91.2	0	0	0	113.3	V354 Q355 I371 N372 C379 P383	V354-W358 HydrophobicContact CB-CB 4.02Å; V354-W358 HydrophobicContact CG1-CB 4.38Å; Q355-W358 CarbonylContact C-O 3.6Å; Q355-W358 WeakPolarHBondContact O-CB 3.43Å; Q355-W358 PolarHBondContact O-N 3.28Å; W358-I371 CarbonylContact C-O 3.24Å; W358-I371 VanDerWaalsContact CA-O 3.3Å; W358-I371 WeakPolarHBondContact CA-O 3.32Å; W358-N372 HydrophobicContact CD2-CB 4.03Å; W358-N372 VanDerWaalsContact CE2-ND2 3.35Å; W358-N372 HydrophobicContact CE3-CB 3.78Å; W358-N372 HydrophobicContact CH2-CB 3.84Å; W358-N372 HydrophobicContact CZ2-CB 4.05Å; W358-N372 WeakPolarHBondContact CZ2-ND2 3.34Å; W358-N372 HydrophobicContact CZ3-CB 3.68Å; W358-C379 VanDerWaalsContact CZ3-SG 3.59Å; W358-P383 HydrophobicContact CB-CG 4.37Å; W358-P383 HydrophobicContact CD2-CB 3.88Å; W358-P383 HydrophobicContact CD2-CG 3.91Å; W358-P383 HydrophobicContact CE3-CB 4.38Å; W358-P383 HydrophobicContact CE3-CG 4.3Å; W358-P383 HydrophobicContact CG-CB 4.21Å; W358-P383 HydrophobicContact CG-CG 3.94Å; W358-P383 HydrophobicContact CH2-CB 4.43Å; W358-P383 HydrophobicContact CZ2-CB 3.96Å
359	E	94.3	Very high	91	Very high	92 Å²	92	58.5 Å²	58.5	43%	0.43	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	146	171.5	-178.3	-175.7	144.9	0	0	109.8	Y370 I371 H373	E359-Y370 CarbonylContact O-C 3.59Å; E359-Y370 WeakPolarHBondContact O-CA 3.46Å; E359-I371 HydrophobicContact CB-CB 4.38Å; E359-I371 PolarHBondContact N-O 3.02Å; E359-I371 PolarHBondContact O-N 3.32Å; E359-H373 IonicContact OE2-CD2 2.71Å; E359-H373 IonicContact OE2-CE1 3.84Å; E359-H373 PolarHBondContact OE2-CE1 2.93Å; E359-H373 IonicContact OE2-NE2 2.62Å; E359-H373 PolarHBondContact OE2-NE2 2.94Å
360	R	94.1	Very high	91.6	Very high	21 Å²	21	54.9 Å²	54.9	8%	0.079	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	112.7	174.8	-178.8	-169	-166.2	-82.5	3.3	109.3	Q347 L350 V354 Y370 D473	Q347-R360 VanDerWaalsContact OE1-NH2 3.1Å; L350-R360 VanDerWaalsContact CD1-NH2 3.3Å; L350-R360 VanDerWaalsContact O-CD 3.25Å; L350-R360 WeakPolarHBondContact O-CD 3.34Å; V354-R360 HydrophobicContact CG2-CB 3.9Å; R360-Y370 HydrophobicContact CB-CD1 4.18Å; R360-Y370 HydrophobicContact CB-CE1 4.11Å; R360-Y370 HydrophobicContact CG-CD1 4.27Å; R360-Y370 HydrophobicContact CG-CE1 3.81Å; R360-D473 VanDerWaalsContact CD-OD2 3.27Å; R360-D473 WeakPolarHBondContact CD-OD2 3.4Å; R360-D473 IonicContact CZ-OD1 2.7Å; R360-D473 VanDerWaalsContact CZ-OD1 3.24Å; R360-D473 IonicContact CZ-OD2 2.77Å; R360-D473 IonicContact NE-OD1 2.97Å; R360-D473 PolarHBondContact NE-OD1 3.35Å; R360-D473 IonicContact NE-OD2 2.68Å; R360-D473 PolarHBondContact NE-OD2 2.85Å; R360-D473 IonicContact NH2-OD1 3.92Å; R360-D473 PolarHBondContact NH2-OD1 3.42Å
361	A	91.4	Very high	91.9	Very high	14 Å²	14	56.5 Å²	56.5	12%	0.116	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	168.2	177.1	0	0	0	0	0	111.2	P368 Y369 I371	A361-P368 WeakPolarHBondContact O-CA 3.47Å; A361-Y369 HydrophobicContact CB-CD1 4.14Å; A361-Y369 HydrophobicContact CB-CD2 4.31Å; A361-Y369 HydrophobicContact CB-CE1 3.6Å; A361-Y369 HydrophobicContact CB-CE2 3.81Å; A361-Y369 HydrophobicContact CB-CG 4.47Å; A361-Y369 VanDerWaalsContact CB-CZ 3.42Å; A361-Y369 PolarHBondContact N-O 3.21Å; A361-Y369 PolarHBondContact O-N 3Å; A361-Y369 VanDerWaalsContact O-O 3.07Å; A361-I371 HydrophobicContact CB-CD1 3.79Å; A361-I371 HydrophobicContact CB-CG1 4.14Å
362	I	91.2	Very high	92.2	Very high	75 Å²	75	54.9 Å²	54.9	39%	0.385	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	131.8	-176.8	-51.3	174.9	0	0	0	108.7	Q347	Q347-I362 HydrophobicContact CB-CD1 3.87Å; Q347-I362 HydrophobicContact CG-CD1 4.16Å
363	S	90	Very high	92.4	Very high	17 Å²	17	56.9 Å²	56.9	12%	0.119	29%	0.293	C	S	.	.			trans	-77.2	166.7	177.5	79.7	0	0	0	0	112	N365 K366 V367	S363-N365 PolarHBondContact O-N 3.32Å; S363-N365 VanDerWaalsContact O-N 3.15Å; S363-N365 PolarHBondContact OG-N 3.24Å; S363-K366 WeakPolarHBondContact O-CA 3.47Å; S363-K366 PolarHBondContact O-N 3.35Å; S363-V367 WeakPolarHBondContact CB-O 3.42Å; S363-V367 PolarHBondContact N-O 2.75Å; S363-V367 PolarHBondContact OG-N 3.21Å; S363-V367 PolarHBondContact OG-O 3.44Å
364	P	84.3	Confident	92.4	Very high	129 Å²	129	64.5 Å²	64.5	84%	0.838	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.4	-33.3	172.7	-27.6	36.5	0	0	0	113.4	K366	P364-K366 PolarHBondContact O-N 3.05Å; P364-K366 VanDerWaalsContact O-N 3.17Å
365	N	84.7	Confident	92.4	Very high	95 Å²	95	66.4 Å²	66.4	51%	0.508	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	13.9	177.1	-60.7	-1.5	0	0	0	113.4	S363 V367 R487	S363-N365 PolarHBondContact O-N 3.32Å; S363-N365 VanDerWaalsContact O-N 3.15Å; S363-N365 PolarHBondContact OG-N 3.24Å; N365-V367 HydrophobicContact CB-CG2 4.13Å; N365-V367 PolarHBondContact O-N 2.76Å; N365-V367 VanDerWaalsContact O-N 3.11Å; N365-R487 PolarHBondContact ND2-O 3.44Å
366	K	87.8	Confident	92.5	Very high	109 Å²	109	67 Å²	67	47%	0.474	35%	0.349	S	S	.	.	S	Bend	trans	62.3	9.7	-174.9	-53.3	-62.3	-173.8	168.7	0	115.5	Q347 S363 P364 V444	Q347-K366 PolarHBondContact NE2-O 3.25Å; S363-K366 WeakPolarHBondContact O-CA 3.47Å; S363-K366 PolarHBondContact O-N 3.35Å; P364-K366 PolarHBondContact O-N 3.05Å; P364-K366 VanDerWaalsContact O-N 3.17Å; K366-V444 WeakPolarHBondContact O-CG1 3.29Å
367	V	93.1	Very high	92.8	Very high	1 Å²	1	63.6 Å²	63.6	1%	0.006	33%	0.328	C	S	.	.			trans	-84.6	129.3	179.9	-174.7	0	0	0	0	110.4	S363 N365 W380 V444 L480 R487 G489	S363-V367 WeakPolarHBondContact CB-O 3.42Å; S363-V367 PolarHBondContact N-O 2.75Å; S363-V367 PolarHBondContact OG-N 3.21Å; S363-V367 PolarHBondContact OG-O 3.44Å; N365-V367 HydrophobicContact CB-CG2 4.13Å; N365-V367 PolarHBondContact O-N 2.76Å; N365-V367 VanDerWaalsContact O-N 3.11Å; V367-W380 HydrophobicContact CB-CZ3 4.12Å; V367-W380 HydrophobicContact CG1-CE3 4.09Å; V367-W380 HydrophobicContact CG1-CZ3 3.76Å; V367-V444 HydrophobicContact CG2-CG2 4.1Å; V367-L480 HydrophobicContact CG1-CD1 4.16Å; V367-R487 HydrophobicContact CG1-CB 4.27Å; V367-G489 VanDerWaalsContact CG2-CA 3.42Å
368	P	94.9	Very high	92.9	Very high	2 Å²	2	66.6 Å²	66.6	1%	0.013	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	146.2	177.7	29.9	-36.7	0	0	0	112.7	A361 L476 L480	A361-P368 WeakPolarHBondContact O-CA 3.47Å; P368-L476 HydrophobicContact CG-CD2 3.84Å; P368-L480 HydrophobicContact CG-CD1 4.44Å
369	Y	95.7	Very high	92.9	Very high	65 Å²	65	65.3 Å²	65.3	26%	0.255	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	163.7	168.9	70.9	-82.4	0	0	0	109.8	A361 I371 T378	A361-Y369 HydrophobicContact CB-CD1 4.14Å; A361-Y369 HydrophobicContact CB-CD2 4.31Å; A361-Y369 HydrophobicContact CB-CE1 3.6Å; A361-Y369 HydrophobicContact CB-CE2 3.81Å; A361-Y369 HydrophobicContact CB-CG 4.47Å; A361-Y369 VanDerWaalsContact CB-CZ 3.42Å; A361-Y369 PolarHBondContact N-O 3.21Å; A361-Y369 PolarHBondContact O-N 3Å; A361-Y369 VanDerWaalsContact O-O 3.07Å; Y369-I371 HydrophobicContact CD2-CG1 4.18Å; Y369-I371 HydrophobicContact CE2-CD1 3.99Å; Y369-I371 HydrophobicContact CE2-CG1 3.72Å; Y369-T378 HydrophobicContact CD2-CG2 4.29Å; Y369-T378 HydrophobicContact CE2-CG2 4.08Å
370	Y	97.3	Very high	93	Very high	0 Å²	0	66.1 Å²	66.1	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	132.5	-170.7	-54.7	-85	0	0	0	110.2	V354 E359 R360 T378 C379 D381 H382 D473	V354-Y370 HydrophobicContact CG1-CD1 3.8Å; V354-Y370 HydrophobicContact CG1-CE1 4.01Å; E359-Y370 CarbonylContact O-C 3.59Å; E359-Y370 WeakPolarHBondContact O-CA 3.46Å; R360-Y370 HydrophobicContact CB-CD1 4.18Å; R360-Y370 HydrophobicContact CB-CE1 4.11Å; R360-Y370 HydrophobicContact CG-CD1 4.27Å; R360-Y370 HydrophobicContact CG-CE1 3.81Å; Y370-T378 CarbonylContact O-C 3.54Å; Y370-T378 VanDerWaalsContact O-CA 3.27Å; Y370-T378 WeakPolarHBondContact O-CA 3.5Å; Y370-C379 PolarHBondContact N-O 2.85Å; Y370-C379 PolarHBondContact O-N 3.1Å; Y370-D381 VanDerWaalsContact CD2-C 3.43Å; Y370-D381 WeakPolarHBondContact CD2-O 3.4Å; Y370-H382 HydrophobicContact CD2-CB 4.38Å; Y370-H382 HydrophobicContact CE1-CB 4.16Å; Y370-H382 AromaticContact CE1-CD2 3.51Å; Y370-H382 VanDerWaalsContact CE2-CA 3.42Å; Y370-H382 HydrophobicContact CE2-CB 3.77Å; Y370-H382 AromaticContact CZ-CD2 3.77Å; Y370-D473 PolarHBondContact OH-OD1 3.4Å; Y370-D473 PolarHBondContact OH-OD2 3.43Å; Y370-D473 VanDerWaalsContact OH-OD2 3.08Å
371	I	96.8	Very high	93.1	Very high	34 Å²	34	67.3 Å²	67.3	17%	0.174	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	127.8	-179.9	-50.2	-179.8	0	0	0	107.6	W358 E359 A361 Y369 T378	W358-I371 CarbonylContact C-O 3.24Å; W358-I371 VanDerWaalsContact CA-O 3.3Å; W358-I371 WeakPolarHBondContact CA-O 3.32Å; E359-I371 HydrophobicContact CB-CB 4.38Å; E359-I371 PolarHBondContact N-O 3.02Å; E359-I371 PolarHBondContact O-N 3.32Å; A361-I371 HydrophobicContact CB-CD1 3.79Å; A361-I371 HydrophobicContact CB-CG1 4.14Å; Y369-I371 HydrophobicContact CD2-CG1 4.18Å; Y369-I371 HydrophobicContact CE2-CD1 3.99Å; Y369-I371 HydrophobicContact CE2-CG1 3.72Å; I371-T378 HydrophobicContact CG1-CG2 4.1Å; I371-T378 HydrophobicContact CG2-CG2 4.39Å
372	N	95.7	Very high	93.4	Very high	18 Å²	18	66.6 Å²	66.6	10%	0.096	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	104.5	170.3	-174.5	-33.4	0	0	0	109.3	W358 Q374 A375 Q376 T377	W358-N372 HydrophobicContact CD2-CB 4.03Å; W358-N372 VanDerWaalsContact CE2-ND2 3.35Å; W358-N372 HydrophobicContact CE3-CB 3.78Å; W358-N372 HydrophobicContact CH2-CB 3.84Å; W358-N372 HydrophobicContact CZ2-CB 4.05Å; W358-N372 WeakPolarHBondContact CZ2-ND2 3.34Å; W358-N372 HydrophobicContact CZ3-CB 3.68Å; N372-Q374 VanDerWaalsContact C-N 3.28Å; N372-Q374 PolarHBondContact O-N 3.09Å; N372-Q374 WeakPolarHBondContact OD1-CB 3.32Å; N372-Q374 PolarHBondContact OD1-N 2.83Å; N372-A375 HydrophobicContact CB-CB 4.12Å; N372-A375 PolarHBondContact O-N 2.83Å; N372-A375 PolarHBondContact OD1-N 3.22Å; N372-Q376 WeakPolarHBondContact O-CA 2.97Å; N372-Q376 PolarHBondContact O-N 2.79Å; N372-T377 PolarHBondContact N-O 2.9Å; N372-T377 PolarHBondContact O-N 3.42Å
373	H	92.9	Very high	93.7	Very high	106 Å²	106	64.1 Å²	64.1	49%	0.491	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-27	-177.6	-69.9	-62.5	0	0	0	113.5	P357 E359	P357-H373 PolarHBondContact O-N 3.45Å; E359-H373 IonicContact OE2-CD2 2.71Å; E359-H373 IonicContact OE2-CE1 3.84Å; E359-H373 PolarHBondContact OE2-CE1 2.93Å; E359-H373 IonicContact OE2-NE2 2.62Å; E359-H373 PolarHBondContact OE2-NE2 2.94Å
374	Q	94.3	Very high	94	Very high	162 Å²	162	67.2 Å²	67.2	76%	0.757	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-36.8	177.9	-174.1	-179.6	15.9	0	0	112.2	P357 N372	P357-Q374 HydrophobicContact CB-CB 3.66Å; P357-Q374 HydrophobicContact CG-CB 4.05Å; N372-Q374 VanDerWaalsContact C-N 3.28Å; N372-Q374 PolarHBondContact O-N 3.09Å; N372-Q374 WeakPolarHBondContact OD1-CB 3.32Å; N372-Q374 PolarHBondContact OD1-N 2.83Å
375	A	92.8	Very high	94.6	Very high	54 Å²	54	61.1 Å²	61.1	45%	0.446	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-16.3	178.8	0	0	0	0	0	113.5	N372 T377	N372-A375 HydrophobicContact CB-CB 4.12Å; N372-A375 PolarHBondContact O-N 2.83Å; N372-A375 PolarHBondContact OD1-N 3.22Å; A375-T377 VanDerWaalsContact C-N 3.29Å; A375-T377 HydrophobicContact CB-CG2 4.13Å
376	Q	93.6	Very high	95.1	Very high	170 Å²	170	58.8 Å²	58.8	79%	0.794	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.4	39.3	-170.2	-54	-168.5	-44.1	0	0	112.9	N372	N372-Q376 WeakPolarHBondContact O-CA 2.97Å; N372-Q376 PolarHBondContact O-N 2.79Å
377	T	94.6	Very high	95.5	Very high	71 Å²	71	59.1 Å²	59.1	44%	0.436	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	146	-178	57.8	0	0	0	0	111.8	N372 A375	N372-T377 PolarHBondContact N-O 2.9Å; N372-T377 PolarHBondContact O-N 3.42Å; A375-T377 VanDerWaalsContact C-N 3.29Å; A375-T377 HydrophobicContact CB-CG2 4.13Å
378	T	95.6	Very high	95.7	Very high	98 Å²	98	59.9 Å²	59.9	60%	0.601	31%	0.305	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108	149.5	168	58.9	0	0	0	0	111.1	Y369 Y370 I371	Y369-T378 HydrophobicContact CD2-CG2 4.29Å; Y369-T378 HydrophobicContact CE2-CG2 4.08Å; Y370-T378 CarbonylContact O-C 3.54Å; Y370-T378 VanDerWaalsContact O-CA 3.27Å; Y370-T378 WeakPolarHBondContact O-CA 3.5Å; I371-T378 HydrophobicContact CG1-CG2 4.1Å; I371-T378 HydrophobicContact CG2-CG2 4.39Å
379	C	95.7	Very high	95.7	Very high	38 Å²	38	62.3 Å²	62.3	26%	0.257	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	153.6	173.5	61.5	0	0	0	0	112.6	W358 Y370 D381	W358-C379 VanDerWaalsContact CZ3-SG 3.59Å; Y370-C379 PolarHBondContact N-O 2.85Å; Y370-C379 PolarHBondContact O-N 3.1Å; C379-D381 PolarHBondContact SG-O 3.27Å
380	W	96.6	Very high	95.7	Very high	110 Å²	110	65.6 Å²	65.6	42%	0.417	33%	0.332	S	S	.	.	S	Bend	trans	-77.4	-24.7	175.3	-66.4	113.2	0	0	0	113.4	V367 N477 R487	V367-W380 HydrophobicContact CB-CZ3 4.12Å; V367-W380 HydrophobicContact CG1-CE3 4.09Å; V367-W380 HydrophobicContact CG1-CZ3 3.76Å; W380-N477 PolarHBondContact O-ND2 3.12Å; W380-R487 HydrophobicContact CD2-CG 3.81Å; W380-R487 HydrophobicContact CE3-CG 4.03Å; W380-R487 HydrophobicContact CG-CG 4.25Å; W380-R487 HydrophobicContact CH2-CB 4.23Å; W380-R487 HydrophobicContact CH2-CG 4.38Å; W380-R487 HydrophobicContact CZ2-CB 4.28Å; W380-R487 HydrophobicContact CZ2-CG 4.17Å; W380-R487 HydrophobicContact CZ3-CB 4.38Å; W380-R487 HydrophobicContact CZ3-CG 4.31Å
381	D	96.8	Very high	95.6	Very high	45 Å²	45	68 Å²	68	24%	0.241	35%	0.347	C	S	.	.	S	Bend	trans	-83.2	136.1	179.7	-67.1	-56.5	0	0	0	111.4	Y370 C379 T386 N477 N481	Y370-D381 VanDerWaalsContact CD2-C 3.43Å; Y370-D381 WeakPolarHBondContact CD2-O 3.4Å; C379-D381 PolarHBondContact SG-O 3.27Å; D381-T386 WeakPolarHBondContact CB-OG1 3.45Å; D381-N477 WeakPolarHBondContact CA-OD1 3.33Å; D381-N481 PolarHBondContact OD1-ND2 3.43Å
382	H	97.2	Very high	95.5	Very high	0 Å²	0	66.7 Å²	66.7	0%	0	34%	0.34	C	S	.	.			trans	-62.7	140.8	171.6	177.3	-87.6	0	0	0	109	V354 Y370 K384 M385 T386 L470 D473 M474 N477	V354-H382 WeakPolarHBondContact CG1-NE2 3.21Å; Y370-H382 HydrophobicContact CD2-CB 4.38Å; Y370-H382 HydrophobicContact CE1-CB 4.16Å; Y370-H382 AromaticContact CE1-CD2 3.51Å; Y370-H382 VanDerWaalsContact CE2-CA 3.42Å; Y370-H382 HydrophobicContact CE2-CB 3.77Å; Y370-H382 AromaticContact CZ-CD2 3.77Å; H382-K384 VanDerWaalsContact C-N 3.26Å; H382-K384 PolarHBondContact ND1-N 3.37Å; H382-K384 VanDerWaalsContact ND1-N 3.19Å; H382-K384 PolarHBondContact O-N 2.89Å; H382-K384 VanDerWaalsContact O-N 3.08Å; H382-M385 HydrophobicContact CB-CB 4.28Å; H382-M385 HydrophobicContact CB-CG 4.12Å; H382-M385 WeakPolarHBondContact O-CA 3.19Å; H382-M385 VanDerWaalsContact O-CB 3.31Å; H382-M385 WeakPolarHBondContact O-CB 3.34Å; H382-M385 PolarHBondContact O-N 3.31Å; H382-T386 PolarHBondContact O-N 2.72Å; H382-T386 PolarHBondContact O-OG1 2.88Å; H382-L470 VanDerWaalsContact CE1-CD1 3.41Å; H382-L470 WeakPolarHBondContact CE1-CD1 3.38Å; H382-D473 IonicContact CD2-OD2 2.66Å; H382-M474 HydrophobicContact CB-SD 4.45Å; H382-M474 PolarHBondContact ND1-SD 3.29Å; H382-N477 HydrophobicContact CB-CB 4.36Å; H382-N477 PolarHBondContact N-OD1 3.45Å; H382-N477 VanDerWaalsContact N-OD1 3.1Å
383	P	96.9	Very high	95.3	Very high	23 Å²	23	68.3 Å²	68.3	15%	0.149	36%	0.356	C	S	.	.	H	α-helix	trans	-54.2	-37.6	-173.9	15.8	-30.8	0	0	0	114.5	V354 W358 T386 E387	V354-P383 HydrophobicContact CG1-CG 3.81Å; W358-P383 HydrophobicContact CB-CG 4.37Å; W358-P383 HydrophobicContact CD2-CB 3.88Å; W358-P383 HydrophobicContact CD2-CG 3.91Å; W358-P383 HydrophobicContact CE3-CB 4.38Å; W358-P383 HydrophobicContact CE3-CG 4.3Å; W358-P383 HydrophobicContact CG-CB 4.21Å; W358-P383 HydrophobicContact CG-CG 3.94Å; W358-P383 HydrophobicContact CH2-CB 4.43Å; W358-P383 HydrophobicContact CZ2-CB 3.96Å; P383-T386 WeakPolarHBondContact O-CB 3.35Å; P383-T386 PolarHBondContact O-N 2.83Å; P383-E387 PolarHBondContact O-N 3.3Å
384	K	96.6	Very high	95.3	Very high	82 Å²	82	68 Å²	68	36%	0.357	36%	0.358	S	S	.	.	H	α-helix	trans	-76.5	-18.4	174.8	-59.9	175.3	-169.1	139.5	0	113.9	S353 H382 L388 L470 M474	S353-K384 PolarHBondContact O-NZ 3.02Å; H382-K384 VanDerWaalsContact C-N 3.26Å; H382-K384 PolarHBondContact ND1-N 3.37Å; H382-K384 VanDerWaalsContact ND1-N 3.19Å; H382-K384 PolarHBondContact O-N 2.89Å; H382-K384 VanDerWaalsContact O-N 3.08Å; K384-L388 VanDerWaalsContact O-CB 3.24Å; K384-L388 WeakPolarHBondContact O-CB 3.42Å; K384-L388 PolarHBondContact O-N 2.94Å; K384-L470 HydrophobicContact CD-CD1 3.95Å; K384-L470 HydrophobicContact CD-CD2 4.09Å; K384-M474 HydrophobicContact CB-CE 4.04Å; K384-M474 HydrophobicContact CB-SD 3.67Å
385	M	97.3	Very high	95.2	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-73.8	-40.7	166.4	-75.2	-61.8	-69.2	0	0	110.5	H382 L388 Y389 L416 M474 N477 W478	H382-M385 HydrophobicContact CB-CB 4.28Å; H382-M385 HydrophobicContact CB-CG 4.12Å; H382-M385 WeakPolarHBondContact O-CA 3.19Å; H382-M385 VanDerWaalsContact O-CB 3.31Å; H382-M385 WeakPolarHBondContact O-CB 3.34Å; H382-M385 PolarHBondContact O-N 3.31Å; M385-L388 HydrophobicContact CE-CD2 4.28Å; M385-L388 WeakPolarHBondContact O-CB 3.42Å; M385-L388 PolarHBondContact O-N 2.79Å; M385-L388 HydrophobicContact SD-CD2 3.82Å; M385-Y389 HydrophobicContact CB-CE2 4.42Å; M385-Y389 HydrophobicContact CE-CE2 4.03Å; M385-Y389 WeakPolarHBondContact O-CD2 3.38Å; M385-Y389 PolarHBondContact O-N 3.42Å; M385-L416 HydrophobicContact SD-CD2 4.28Å; M385-M474 HydrophobicContact CB-SD 4.49Å; M385-M474 HydrophobicContact CG-CE 3.98Å; M385-M474 HydrophobicContact CG-SD 3.63Å; M385-M474 HydrophobicContact SD-CE 3.57Å; M385-M474 VanDerWaalsContact SD-CE 3.57Å; M385-M474 HydrophobicContact SD-SD 4Å; M385-N477 WeakPolarHBondContact CB-OD1 3.48Å; M385-N477 HydrophobicContact CG-CB 4.18Å; M385-N477 WeakPolarHBondContact CG-OD1 3.36Å; M385-W478 HydrophobicContact CE-CB 3.88Å; M385-W478 HydrophobicContact CE-CE3 3.96Å
386	T	95.6	Very high	95.1	Very high	47 Å²	47	62.9 Å²	62.9	29%	0.288	33%	0.328	S	S	.	.	H	α-helix	trans	-60.1	-46.4	173.2	-50.9	0	0	0	0	111.4	D381 H382 P383 Y389 Q390	D381-T386 WeakPolarHBondContact CB-OG1 3.45Å; H382-T386 PolarHBondContact O-N 2.72Å; H382-T386 PolarHBondContact O-OG1 2.88Å; P383-T386 WeakPolarHBondContact O-CB 3.35Å; P383-T386 PolarHBondContact O-N 2.83Å; T386-Y389 PolarHBondContact O-N 2.68Å; T386-Q390 VanDerWaalsContact O-CG 3.32Å; T386-Q390 WeakPolarHBondContact O-CG 3.44Å; T386-Q390 PolarHBondContact O-N 3.08Å
387	E	96	Very high	94.8	Very high	116 Å²	116	59.6 Å²	59.6	54%	0.542	32%	0.316	S	S	.	.	H	α-helix	trans	-57.4	-48.5	171.4	-173.3	-170.4	170.3	0	0	111.6	P383 Y389 Q390 T391	P383-E387 PolarHBondContact O-N 3.3Å; E387-Y389 PolarHBondContact O-N 3.48Å; E387-Q390 WeakPolarHBondContact O-CB 3.45Å; E387-Q390 PolarHBondContact O-N 3.34Å; E387-T391 WeakPolarHBondContact O-CG2 3.23Å; E387-T391 PolarHBondContact O-N 2.89Å
388	L	96.8	Very high	94.5	Very high	17 Å²	17	56.6 Å²	56.6	9%	0.089	30%	0.297	C	S	.	.	H	α-helix	trans	-55.8	-51.8	177.2	174.5	63.7	0	0	0	111.5	K384 M385 Q390 T391 L392 R411 V412 A415	K384-L388 VanDerWaalsContact O-CB 3.24Å; K384-L388 WeakPolarHBondContact O-CB 3.42Å; K384-L388 PolarHBondContact O-N 2.94Å; M385-L388 HydrophobicContact CE-CD2 4.28Å; M385-L388 WeakPolarHBondContact O-CB 3.42Å; M385-L388 PolarHBondContact O-N 2.79Å; M385-L388 HydrophobicContact SD-CD2 3.82Å; L388-Q390 VanDerWaalsContact C-N 3.29Å; L388-Q390 PolarHBondContact O-N 3Å; L388-T391 CarbonylContact O-C 3.58Å; L388-T391 WeakPolarHBondContact O-CA 3.47Å; L388-T391 PolarHBondContact O-N 3.01Å; L388-T391 PolarHBondContact O-OG1 3.09Å; L388-L392 HydrophobicContact CD1-CD2 4.15Å; L388-L392 WeakPolarHBondContact O-CG 3.33Å; L388-L392 PolarHBondContact O-N 3.27Å; L388-R411 HydrophobicContact CD1-CB 4.39Å; L388-V412 HydrophobicContact CD2-CG2 4.2Å; L388-A415 HydrophobicContact CD1-CB 3.92Å; L388-A415 HydrophobicContact CD2-CB 3.72Å; L388-A415 HydrophobicContact CG-CB 4.42Å
389	Y	95.4	Very high	94	Very high	53 Å²	53	57.1 Å²	57.1	21%	0.208	29%	0.291	C	S	.	.	H	α-helix	trans	-58.1	-38.3	177.8	-75.1	-61.1	0	0	0	112.4	M385 T386 E387 L392 A393 W478 N481 Q544	M385-Y389 HydrophobicContact CB-CE2 4.42Å; M385-Y389 HydrophobicContact CE-CE2 4.03Å; M385-Y389 WeakPolarHBondContact O-CD2 3.38Å; M385-Y389 PolarHBondContact O-N 3.42Å; T386-Y389 PolarHBondContact O-N 2.68Å; E387-Y389 PolarHBondContact O-N 3.48Å; Y389-L392 HydrophobicContact CD1-CD1 4.11Å; Y389-L392 WeakPolarHBondContact O-CB 3.45Å; Y389-L392 PolarHBondContact O-N 3.45Å; Y389-L392 VanDerWaalsContact O-N 3.09Å; Y389-A393 PolarHBondContact O-N 3.03Å; Y389-W478 HydrophobicContact CE1-CZ3 4.23Å; Y389-N481 PolarHBondContact OH-ND2 2.65Å; Y389-Q544 PolarHBondContact OH-NE2 3.45Å
390	Q	94.9	Very high	93.6	Very high	133 Å²	133	57 Å²	57	62%	0.621	29%	0.286	S	S	*	.	H	α-helix	trans	-60.5	-46.4	172.5	-69.3	168.9	10.6	0	0	111	T386 E387 L388 L392 A393	T386-Q390 VanDerWaalsContact O-CG 3.32Å; T386-Q390 WeakPolarHBondContact O-CG 3.44Å; T386-Q390 PolarHBondContact O-N 3.08Å; E387-Q390 WeakPolarHBondContact O-CB 3.45Å; E387-Q390 PolarHBondContact O-N 3.34Å; L388-Q390 VanDerWaalsContact C-N 3.29Å; L388-Q390 PolarHBondContact O-N 3Å; Q390-L392 PolarHBondContact O-N 3.48Å; Q390-A393 VanDerWaalsContact O-CB 3.27Å; Q390-A393 WeakPolarHBondContact O-CB 3.47Å; Q390-A393 PolarHBondContact O-N 3.43Å; Q390-A393 VanDerWaalsContact O-N 3.08Å
391	T	95.6	Very high	93.2	Very high	52 Å²	52	51.9 Å²	51.9	32%	0.319	27%	0.267	S	S	.	.	H	α-helix	trans	-64.8	-23.4	174	76.2	0	0	0	0	113.2	E387 L388 A393 D394 R411	E387-T391 WeakPolarHBondContact O-CG2 3.23Å; E387-T391 PolarHBondContact O-N 2.89Å; L388-T391 CarbonylContact O-C 3.58Å; L388-T391 WeakPolarHBondContact O-CA 3.47Å; L388-T391 PolarHBondContact O-N 3.01Å; L388-T391 PolarHBondContact O-OG1 3.09Å; T391-A393 PolarHBondContact O-N 3.04Å; T391-D394 PolarHBondContact O-N 3.36Å; T391-R411 PolarHBondContact O-NH1 3.38Å
392	L	94.9	Very high	92.9	Very high	6 Å²	6	50 Å²	50	3%	0.031	26%	0.258	C	S	.	.	H	α-helix	trans	-68.7	-22.2	174.9	-58.8	-164.9	0	0	0	112.4	L388 Y389 Q390 D394 L395 K408 R411 V412 L545	L388-L392 HydrophobicContact CD1-CD2 4.15Å; L388-L392 WeakPolarHBondContact O-CG 3.33Å; L388-L392 PolarHBondContact O-N 3.27Å; Y389-L392 HydrophobicContact CD1-CD1 4.11Å; Y389-L392 WeakPolarHBondContact O-CB 3.45Å; Y389-L392 PolarHBondContact O-N 3.45Å; Y389-L392 VanDerWaalsContact O-N 3.09Å; Q390-L392 PolarHBondContact O-N 3.48Å; L392-D394 VanDerWaalsContact C-N 3.32Å; L392-D394 PolarHBondContact O-N 3.03Å; L392-L395 PolarHBondContact O-N 2.92Å; L392-K408 HydrophobicContact CB-CD 4.46Å; L392-K408 HydrophobicContact CB-CG 4.14Å; L392-K408 HydrophobicContact CD1-CB 4.27Å; L392-K408 HydrophobicContact CD2-CB 4.46Å; L392-K408 WeakPolarHBondContact O-CE 3.33Å; L392-R411 HydrophobicContact CD2-CB 3.65Å; L392-R411 HydrophobicContact CD2-CG 4.37Å; L392-V412 HydrophobicContact CD1-CG2 3.86Å; L392-L545 HydrophobicContact CD1-CD2 3.63Å
393	A	91.9	Very high	92.6	Very high	51 Å²	51	50 Å²	50	42%	0.421	26%	0.258	S	S	.	.	H	α-helix	trans	-66	-31	178.2	0	0	0	0	0	113	Y389 Q390 T391 L395 N396	Y389-A393 PolarHBondContact O-N 3.03Å; Q390-A393 VanDerWaalsContact O-CB 3.27Å; Q390-A393 WeakPolarHBondContact O-CB 3.47Å; Q390-A393 PolarHBondContact O-N 3.43Å; Q390-A393 VanDerWaalsContact O-N 3.08Å; T391-A393 PolarHBondContact O-N 3.04Å; A393-L395 PolarHBondContact O-N 2.98Å; A393-N396 WeakPolarHBondContact O-CB 3.23Å; A393-N396 VanDerWaalsContact O-CG 3.27Å; A393-N396 PolarHBondContact O-N 3.13Å; A393-N396 PolarHBondContact O-ND2 3.27Å
394	D	91.7	Very high	92.5	Very high	100 Å²	100	50.2 Å²	50.2	54%	0.535	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-54.1	-29.2	175	-70.9	-28.1	0	0	0	113.2	T391 L392 N396 N397 R411	T391-D394 PolarHBondContact O-N 3.36Å; L392-D394 VanDerWaalsContact C-N 3.32Å; L392-D394 PolarHBondContact O-N 3.03Å; D394-N396 VanDerWaalsContact C-N 3.28Å; D394-N396 PolarHBondContact O-N 3.22Å; D394-N397 VanDerWaalsContact O-CG 3.27Å; D394-N397 PolarHBondContact O-ND2 3.13Å; D394-R411 IonicContact OD2-NH1 3.5Å
395	L	92.9	Very high	92.4	Very high	17 Å²	17	46.3 Å²	46.3	9%	0.089	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-81.3	-7.6	-177.4	-61.1	174.3	0	0	0	112.7	L392 A393 N397 I398 R404 M407 K408	L392-L395 PolarHBondContact O-N 2.92Å; A393-L395 PolarHBondContact O-N 2.98Å; L395-N397 PolarHBondContact O-N 3.06Å; L395-N397 VanDerWaalsContact O-N 3.11Å; L395-I398 HydrophobicContact CB-CD1 4.24Å; L395-I398 HydrophobicContact CD2-CD1 3.93Å; L395-I398 WeakPolarHBondContact O-CB 3.48Å; L395-I398 WeakPolarHBondContact O-CG1 3.37Å; L395-I398 PolarHBondContact O-N 2.94Å; L395-R404 HydrophobicContact CB-CG 4.48Å; L395-R404 WeakPolarHBondContact O-CD 3.3Å; L395-R404 WeakPolarHBondContact O-CG 3.47Å; L395-M407 VanDerWaalsContact CD1-C 3.49Å; L395-M407 HydrophobicContact CD1-CB 3.96Å; L395-M407 HydrophobicContact CD2-CB 4.3Å; L395-K408 HydrophobicContact CB-CG 4.17Å; L395-K408 HydrophobicContact CD1-CB 4.3Å; L395-K408 HydrophobicContact CD1-CG 3.74Å
396	N	90.6	Very high	92.3	Very high	91 Å²	91	46.3 Å²	46.3	49%	0.487	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	-63.1	-16.5	177.4	-66.5	-20	0	0	0	113	A393 D394 I398 K408	A393-N396 WeakPolarHBondContact O-CB 3.23Å; A393-N396 VanDerWaalsContact O-CG 3.27Å; A393-N396 PolarHBondContact O-N 3.13Å; A393-N396 PolarHBondContact O-ND2 3.27Å; D394-N396 VanDerWaalsContact C-N 3.28Å; D394-N396 PolarHBondContact O-N 3.22Å; N396-I398 PolarHBondContact O-N 3.31Å; N396-K408 VanDerWaalsContact OD1-CE 3.28Å; N396-K408 WeakPolarHBondContact OD1-CE 3.24Å; N396-K408 PolarHBondContact OD1-NZ 3.45Å
397	N	87.4	Confident	92.3	Very high	101 Å²	101	44.9 Å²	44.9	54%	0.54	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	-72.6	-7.9	171.9	66.8	34.7	0	0	0	114.9	D394 L395 K399	D394-N397 VanDerWaalsContact O-CG 3.27Å; D394-N397 PolarHBondContact O-ND2 3.13Å; L395-N397 PolarHBondContact O-N 3.06Å; L395-N397 VanDerWaalsContact O-N 3.11Å; N397-K399 PolarHBondContact O-N 3.47Å
398	I	88.8	Confident	92.3	Very high	8 Å²	8	40 Å²	40	4%	0.041	21%	0.206	C	C	.	.			trans	-78.3	118.8	176.8	-66	170.6	0	0	0	109.4	L395 N396 F400 R404 M407 L639	L395-I398 HydrophobicContact CB-CD1 4.24Å; L395-I398 HydrophobicContact CD2-CD1 3.93Å; L395-I398 WeakPolarHBondContact O-CB 3.48Å; L395-I398 WeakPolarHBondContact O-CG1 3.37Å; L395-I398 PolarHBondContact O-N 2.94Å; N396-I398 PolarHBondContact O-N 3.31Å; I398-F400 VanDerWaalsContact C-N 3.29Å; I398-F400 WeakPolarHBondContact CG2-O 3.45Å; I398-F400 PolarHBondContact O-N 3.5Å; I398-R404 HydrophobicContact CB-CB 3.92Å; I398-R404 HydrophobicContact CB-CG 4.36Å; I398-R404 HydrophobicContact CG2-CB 3.88Å; I398-R404 PolarHBondContact O-NH1 3.49Å; I398-M407 HydrophobicContact CD1-CB 4.38Å; I398-M407 HydrophobicContact CD1-SD 3.7Å; I398-L639 HydrophobicContact CG1-CB 4.39Å; I398-L639 HydrophobicContact CG2-CB 4.13Å; I398-L639 HydrophobicContact CG2-CD2 4.35Å
399	K	85.3	Confident	92.4	Very high	109 Å²	109	39.2 Å²	39.2	47%	0.474	20%	0.202	S	C	.	.	S	Bend	trans	-74.1	-11.6	-174.1	-63.9	-162.7	175	-163.9	0	115.3	N397 L639 T640 V694	N397-K399 PolarHBondContact O-N 3.47Å; K399-L639 PolarHBondContact N-O 3.04Å; K399-T640 WeakPolarHBondContact CE-O 3.39Å; K399-V694 PolarHBondContact O-N 2.9Å
400	F	85.8	Confident	92.4	Very high	35 Å²	35	37.3 Å²	37.3	15%	0.154	20%	0.195	C	C	.	.	B	Isolated β-bridge	trans	-112.4	114.7	-179	-57.9	-81.9	0	0	0	110.2	I398 A402 Y403 R404 F638 L639	I398-F400 VanDerWaalsContact C-N 3.29Å; I398-F400 WeakPolarHBondContact CG2-O 3.45Å; I398-F400 PolarHBondContact O-N 3.5Å; F400-A402 PolarHBondContact O-N 3.03Å; F400-Y403 HydrophobicContact CB-CD2 3.69Å; F400-Y403 HydrophobicContact CB-CE2 4.48Å; F400-Y403 HydrophobicContact CG-CD2 4.37Å; F400-Y403 PolarHBondContact O-N 3.34Å; F400-R404 PolarHBondContact O-N 3.39Å; F400-F638 HydrophobicContact CD2-CE1 4.15Å; F400-F638 HydrophobicContact CE1-CZ 4.4Å; F400-F638 HydrophobicContact CE2-CD1 4.07Å; F400-F638 AromaticContact CE2-CE1 3.61Å; F400-F638 HydrophobicContact CE2-CE1 3.61Å; F400-F638 HydrophobicContact CE2-CE2 4.22Å; F400-F638 AromaticContact CE2-CZ 3.69Å; F400-F638 HydrophobicContact CE2-CZ 3.69Å; F400-F638 AromaticContact CZ-CE1 3.98Å; F400-F638 HydrophobicContact CZ-CE1 3.98Å; F400-F638 HydrophobicContact CZ-CE2 4.07Å; F400-F638 AromaticContact CZ-CZ 3.58Å; F400-F638 HydrophobicContact CZ-CZ 3.58Å; F400-L639 HydrophobicContact CD2-CD2 3.83Å; F400-L639 HydrophobicContact CE2-CD2 4.5Å
401	S	88.9	Confident	92.5	Very high	4 Å²	4	35.4 Å²	35.4	3%	0.028	18%	0.182	C	C	.	.	H	α-helix	trans	-57.1	-43.4	-172.5	51.9	0	0	0	0	114.1	Y403 R404 T405	S401-Y403 PolarHBondContact O-N 3Å; S401-R404 PolarHBondContact O-N 3.08Å; S401-T405 WeakPolarHBondContact O-CB 3.42Å; S401-T405 PolarHBondContact O-N 2.9Å; S401-T405 PolarHBondContact O-OG1 3.05Å
402	A	89.7	Confident	92.6	Very high	6 Å²	6	33 Å²	33	5%	0.05	17%	0.166	C	C	.	.	H	α-helix	trans	-61.3	-42.8	180	0	0	0	0	0	112.3	F400 A406 F551 V590 V594	F400-A402 PolarHBondContact O-N 3.03Å; A402-A406 WeakPolarHBondContact O-CB 3.38Å; A402-A406 PolarHBondContact O-N 3.27Å; A402-F551 HydrophobicContact CB-CE1 4.3Å; A402-V590 HydrophobicContact CB-CG1 4.36Å; A402-V590 HydrophobicContact CB-CG2 4.42Å; A402-V594 HydrophobicContact CB-CG2 4.16Å
403	Y	91.6	Very high	92.7	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-72.4	-38.5	176.1	-66.7	-89.4	0	0	0	112.4	F400 S401 A406 M407 V594 F621 Y623 L639 E655 Y691	F400-Y403 HydrophobicContact CB-CD2 3.69Å; F400-Y403 HydrophobicContact CB-CE2 4.48Å; F400-Y403 HydrophobicContact CG-CD2 4.37Å; F400-Y403 PolarHBondContact O-N 3.34Å; S401-Y403 PolarHBondContact O-N 3Å; Y403-A406 PolarHBondContact O-N 3.08Å; Y403-M407 WeakPolarHBondContact O-CB 3.28Å; Y403-M407 VanDerWaalsContact O-CG 3.29Å; Y403-M407 WeakPolarHBondContact O-CG 3.44Å; Y403-M407 PolarHBondContact O-N 2.71Å; Y403-V594 HydrophobicContact CD1-CG1 3.64Å; Y403-V594 HydrophobicContact CE1-CG1 3.92Å; Y403-V594 HydrophobicContact CG-CG1 4.03Å; Y403-F621 HydrophobicContact CE1-CE1 4.34Å; Y403-F621 HydrophobicContact CE1-CZ 4.19Å; Y403-Y623 VanDerWaalsContact CE1-OH 3.23Å; Y403-Y623 WeakPolarHBondContact CE1-OH 3.28Å; Y403-L639 HydrophobicContact CD1-CD2 4.03Å; Y403-L639 HydrophobicContact CD2-CD2 3.99Å; Y403-L639 HydrophobicContact CG-CD2 3.66Å; Y403-E655 WeakPolarHBondContact CE1-OE2 3.33Å; Y403-E655 VanDerWaalsContact CZ-OE2 3.28Å; Y403-E655 VanDerWaalsContact OH-CD 3.32Å; Y403-E655 PolarHBondContact OH-OE2 3.05Å; Y403-Y691 AromaticContact CE2-CD1 3.78Å; Y403-Y691 HydrophobicContact CE2-CD1 3.78Å; Y403-Y691 HydrophobicContact CE2-CD2 4.08Å; Y403-Y691 AromaticContact CE2-CE1 4Å; Y403-Y691 HydrophobicContact CE2-CE1 4Å; Y403-Y691 HydrophobicContact CE2-CE2 4.26Å; Y403-Y691 AromaticContact CE2-CG 3.82Å; Y403-Y691 HydrophobicContact CE2-CG 3.82Å; Y403-Y691 VanDerWaalsContact OH-CE2 3.24Å; Y403-Y691 WeakPolarHBondContact OH-CE2 3.35Å; Y403-Y691 PolarHBondContact OH-OH 3.27Å
404	R	94.1	Very high	92.9	Very high	26 Å²	26	34.2 Å²	34.2	10%	0.098	16%	0.162	C	C	.	.	H	α-helix	trans	-58.5	-51.4	175.3	-179.3	170.9	61	-117.9	4.3	110.9	L395 I398 F400 S401 M407 K408 E547 V694	L395-R404 HydrophobicContact CB-CG 4.48Å; L395-R404 WeakPolarHBondContact O-CD 3.3Å; L395-R404 WeakPolarHBondContact O-CG 3.47Å; I398-R404 HydrophobicContact CB-CB 3.92Å; I398-R404 HydrophobicContact CB-CG 4.36Å; I398-R404 HydrophobicContact CG2-CB 3.88Å; I398-R404 PolarHBondContact O-NH1 3.49Å; F400-R404 PolarHBondContact O-N 3.39Å; S401-R404 PolarHBondContact O-N 3.08Å; R404-M407 PolarHBondContact O-N 3.21Å; R404-K408 HydrophobicContact CG-CD 4.44Å; R404-K408 WeakPolarHBondContact O-CG 3.35Å; R404-K408 PolarHBondContact O-N 3.12Å; R404-E547 WeakPolarHBondContact CD-OE1 3.33Å; R404-E547 WeakPolarHBondContact CG-OE1 3.47Å; R404-E547 IonicContact CZ-OE1 2.72Å; R404-E547 IonicContact CZ-OE2 3.89Å; R404-E547 VanDerWaalsContact CZ-OE2 3.26Å; R404-E547 VanDerWaalsContact NE-CD 3.28Å; R404-E547 IonicContact NE-OE1 3.22Å; R404-E547 PolarHBondContact NE-OE1 3.44Å; R404-E547 IonicContact NE-OE2 2.68Å; R404-E547 PolarHBondContact NE-OE2 3.47Å; R404-E547 IonicContact NH2-OE1 2.71Å; R404-E547 IonicContact NH2-OE2 2.88Å; R404-E547 PolarHBondContact NH2-OE2 2.86Å; R404-V694 VanDerWaalsContact NH1-CG2 3.33Å
405	T	95.6	Very high	93.1	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-63.6	-45.9	179.3	-50.7	0	0	0	0	111.1	S401 M407 K408 L409 P542 L545 E547 F551 W591	S401-T405 WeakPolarHBondContact O-CB 3.42Å; S401-T405 PolarHBondContact O-N 2.9Å; S401-T405 PolarHBondContact O-OG1 3.05Å; T405-M407 VanDerWaalsContact C-N 3.32Å; T405-M407 PolarHBondContact O-N 2.87Å; T405-K408 PolarHBondContact O-N 3.17Å; T405-L409 HydrophobicContact CG2-CD1 4.14Å; T405-L409 HydrophobicContact CG2-CG 4.5Å; T405-L409 WeakPolarHBondContact O-CB 3.24Å; T405-L409 WeakPolarHBondContact O-CG 3.38Å; T405-L409 PolarHBondContact O-N 3.39Å; T405-P542 HydrophobicContact CG2-CB 4.05Å; T405-L545 HydrophobicContact CG2-CD1 4.11Å; T405-E547 HydrophobicContact CG2-CB 4.24Å; T405-E547 HydrophobicContact CG2-CG 4.28Å; T405-E547 WeakPolarHBondContact OG1-CB 3.4Å; T405-E547 VanDerWaalsContact OG1-CG 3.31Å; T405-E547 WeakPolarHBondContact OG1-CG 3.25Å; T405-F551 HydrophobicContact CG2-CE2 3.76Å; T405-F551 HydrophobicContact CG2-CZ 3.95Å; T405-F551 VanDerWaalsContact OG1-CE2 3.28Å; T405-F551 WeakPolarHBondContact OG1-CE2 3.5Å; T405-F551 VanDerWaalsContact OG1-CZ 3.26Å; T405-F551 WeakPolarHBondContact OG1-CZ 3.27Å; T405-W591 HydrophobicContact CG2-CB 4.29Å
406	A	95.3	Very high	93.3	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-60.5	-38	175.6	0	0	0	0	0	113.1	A402 Y403 R410 V594 L595 V598	A402-A406 WeakPolarHBondContact O-CB 3.38Å; A402-A406 PolarHBondContact O-N 3.27Å; Y403-A406 PolarHBondContact O-N 3.08Å; A406-R410 VanDerWaalsContact O-CB 3.32Å; A406-R410 WeakPolarHBondContact O-CB 3.41Å; A406-R410 PolarHBondContact O-N 3.39Å; A406-V594 HydrophobicContact CB-CB 3.97Å; A406-V594 HydrophobicContact CB-CG1 3.59Å; A406-L595 HydrophobicContact CB-CB 4.22Å; A406-L595 WeakPolarHBondContact O-CD1 3.45Å; A406-V598 HydrophobicContact CB-CG2 3.99Å
407	M	94.9	Very high	93.5	Very high	18 Å²	18	31.2 Å²	31.2	9%	0.089	15%	0.145	C	C	.	.	H	α-helix	trans	-75.5	-32.6	176.4	-70.4	-176.5	-173.4	0	0	112.8	L395 I398 Y403 R404 T405 R410 R411 V598 F621 Q635 L639	L395-M407 VanDerWaalsContact CD1-C 3.49Å; L395-M407 HydrophobicContact CD1-CB 3.96Å; L395-M407 HydrophobicContact CD2-CB 4.3Å; I398-M407 HydrophobicContact CD1-CB 4.38Å; I398-M407 HydrophobicContact CD1-SD 3.7Å; Y403-M407 WeakPolarHBondContact O-CB 3.28Å; Y403-M407 VanDerWaalsContact O-CG 3.29Å; Y403-M407 WeakPolarHBondContact O-CG 3.44Å; Y403-M407 PolarHBondContact O-N 2.71Å; R404-M407 PolarHBondContact O-N 3.21Å; T405-M407 VanDerWaalsContact C-N 3.32Å; T405-M407 PolarHBondContact O-N 2.87Å; M407-R410 PolarHBondContact O-N 2.78Å; M407-R411 PolarHBondContact O-N 3.16Å; M407-V598 HydrophobicContact CE-CG2 4.06Å; M407-V598 HydrophobicContact CG-CG1 4.15Å; M407-V598 HydrophobicContact CG-CG2 4.09Å; M407-F621 HydrophobicContact CE-CD2 4.39Å; M407-F621 HydrophobicContact CE-CE2 4.11Å; M407-Q635 HydrophobicContact CE-CG 4.16Å; M407-Q635 VanDerWaalsContact CE-NE2 3.26Å; M407-L639 HydrophobicContact CE-CD1 3.43Å; M407-L639 VanDerWaalsContact CE-CD1 3.43Å; M407-L639 HydrophobicContact SD-CD1 3.95Å
408	K	97.3	Very high	93.9	Very high	13 Å²	13	26.6 Å²	26.6	6%	0.057	12%	0.12	C	C	.	.	H	α-helix	trans	-61.5	-52.6	168.9	-76.8	-179.9	173.9	175.2	0	110.1	L392 L395 N396 R404 T405 R410 R411 V412 L545 E547	L392-K408 HydrophobicContact CB-CD 4.46Å; L392-K408 HydrophobicContact CB-CG 4.14Å; L392-K408 HydrophobicContact CD1-CB 4.27Å; L392-K408 HydrophobicContact CD2-CB 4.46Å; L392-K408 WeakPolarHBondContact O-CE 3.33Å; L395-K408 HydrophobicContact CB-CG 4.17Å; L395-K408 HydrophobicContact CD1-CB 4.3Å; L395-K408 HydrophobicContact CD1-CG 3.74Å; N396-K408 VanDerWaalsContact OD1-CE 3.28Å; N396-K408 WeakPolarHBondContact OD1-CE 3.24Å; N396-K408 PolarHBondContact OD1-NZ 3.45Å; R404-K408 HydrophobicContact CG-CD 4.44Å; R404-K408 WeakPolarHBondContact O-CG 3.35Å; R404-K408 PolarHBondContact O-N 3.12Å; T405-K408 PolarHBondContact O-N 3.17Å; K408-R410 VanDerWaalsContact C-N 3.33Å; K408-R410 PolarHBondContact O-N 2.98Å; K408-R411 WeakPolarHBondContact O-CB 3.3Å; K408-R411 PolarHBondContact O-N 3.41Å; K408-R411 VanDerWaalsContact O-N 3.09Å; K408-V412 PolarHBondContact O-N 2.92Å; K408-V412 VanDerWaalsContact O-N 3.09Å; K408-L545 HydrophobicContact CB-CD1 3.77Å; K408-L545 HydrophobicContact CB-CD2 4.46Å; K408-L545 HydrophobicContact CD-CB 4.45Å; K408-L545 HydrophobicContact CD-CD1 4.47Å; K408-E547 WeakPolarHBondContact CE-OE1 3.49Å; K408-E547 IonicContact NZ-OE1 3.42Å; K408-E547 PolarHBondContact NZ-OE1 3.49Å
409	L	97.3	Very high	94.2	Very high	0 Å²	0	28 Å²	28	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-59.3	-39.5	176.1	-70	171.9	0	0	0	112.3	T405 R411 V412 Q413 W478 L503 V541 L545 W591 L595	T405-L409 HydrophobicContact CG2-CD1 4.14Å; T405-L409 HydrophobicContact CG2-CG 4.5Å; T405-L409 WeakPolarHBondContact O-CB 3.24Å; T405-L409 WeakPolarHBondContact O-CG 3.38Å; T405-L409 PolarHBondContact O-N 3.39Å; L409-R411 VanDerWaalsContact C-N 3.27Å; L409-R411 PolarHBondContact O-N 2.85Å; L409-V412 PolarHBondContact O-N 3.44Å; L409-Q413 VanDerWaalsContact O-CB 3.28Å; L409-Q413 WeakPolarHBondContact O-CB 3.46Å; L409-Q413 PolarHBondContact O-N 2.82Å; L409-W478 HydrophobicContact CD2-CH2 4.22Å; L409-W478 HydrophobicContact CD2-CZ2 4.1Å; L409-L503 HydrophobicContact CD2-CD2 4.44Å; L409-V541 HydrophobicContact CD1-CG1 3.98Å; L409-V541 HydrophobicContact CD2-CG1 3.48Å; L409-V541 VanDerWaalsContact CD2-CG1 3.48Å; L409-V541 HydrophobicContact CG-CG1 4.4Å; L409-L545 HydrophobicContact CD2-CD1 3.54Å; L409-L545 HydrophobicContact CD2-CG 4.47Å; L409-L545 HydrophobicContact CG-CD1 3.6Å; L409-W591 HydrophobicContact CD1-CD2 4.32Å; L409-W591 HydrophobicContact CD1-CE3 3.39Å; L409-W591 HydrophobicContact CD1-CZ3 3.78Å; L409-L595 HydrophobicContact CB-CD1 4.24Å; L409-L595 HydrophobicContact CB-CD2 4.17Å
410	R	96.6	Very high	94.5	Very high	14 Å²	14	25.3 Å²	25.3	5%	0.053	12%	0.118	C	C	.	.	H	α-helix	trans	-63.6	-30.3	176.3	-172.7	61.8	177	140.7	4.4	113.2	A406 M407 K408 Q413 K414 D419 L595 V598 T599 E602	A406-R410 VanDerWaalsContact O-CB 3.32Å; A406-R410 WeakPolarHBondContact O-CB 3.41Å; A406-R410 PolarHBondContact O-N 3.39Å; M407-R410 PolarHBondContact O-N 2.78Å; K408-R410 VanDerWaalsContact C-N 3.33Å; K408-R410 PolarHBondContact O-N 2.98Å; R410-Q413 VanDerWaalsContact CD-OE1 3.32Å; R410-K414 WeakPolarHBondContact O-CG 3.49Å; R410-K414 PolarHBondContact O-N 2.95Å; R410-D419 IonicContact CZ-OD2 3.5Å; R410-D419 VanDerWaalsContact NH1-CG 3.32Å; R410-D419 IonicContact NH1-OD2 2.67Å; R410-D419 PolarHBondContact NH1-OD2 3.19Å; R410-D419 IonicContact NH2-OD2 2.8Å; R410-D419 PolarHBondContact NH2-OD2 3.34Å; R410-L595 HydrophobicContact CB-CD1 3.81Å; R410-V598 HydrophobicContact CB-CG1 4.09Å; R410-V598 HydrophobicContact CG-CG1 3.95Å; R410-T599 WeakPolarHBondContact CD-OG1 3.41Å; R410-T599 PolarHBondContact NE-OG1 3.3Å; R410-E602 WeakPolarHBondContact CG-OE1 3.21Å; R410-E602 IonicContact CZ-OE2 2.85Å; R410-E602 VanDerWaalsContact CZ-OE2 3.26Å; R410-E602 IonicContact NE-OE1 2.76Å; R410-E602 IonicContact NE-OE2 3.74Å; R410-E602 PolarHBondContact NE-OE2 2.97Å; R410-E602 IonicContact NH2-OE2 3.8Å; R410-E602 PolarHBondContact NH2-OE2 3.45Å
411	R	97.3	Very high	94.9	Very high	93 Å²	93	23.7 Å²	23.7	35%	0.351	11%	0.111	S	C	.	.	H	α-helix	trans	-71	-46.4	171	-73.2	-176.4	178.6	-173.7	-6.2	111.2	L388 T391 L392 D394 M407 K408 L409 K414 A415	L388-R411 HydrophobicContact CD1-CB 4.39Å; T391-R411 PolarHBondContact O-NH1 3.38Å; L392-R411 HydrophobicContact CD2-CB 3.65Å; L392-R411 HydrophobicContact CD2-CG 4.37Å; D394-R411 IonicContact OD2-NH1 3.5Å; M407-R411 PolarHBondContact O-N 3.16Å; K408-R411 WeakPolarHBondContact O-CB 3.3Å; K408-R411 PolarHBondContact O-N 3.41Å; K408-R411 VanDerWaalsContact O-N 3.09Å; L409-R411 VanDerWaalsContact C-N 3.27Å; L409-R411 PolarHBondContact O-N 2.85Å; R411-K414 PolarHBondContact O-N 2.95Å; R411-A415 WeakPolarHBondContact O-CB 3.4Å; R411-A415 PolarHBondContact O-N 2.9Å
412	V	97.8	Very high	95.2	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-57.3	-50.7	174.5	178.1	0	0	0	0	111	L388 L392 K408 L409 K414 A415 L416 W478 L503	L388-V412 HydrophobicContact CD2-CG2 4.2Å; L392-V412 HydrophobicContact CD1-CG2 3.86Å; K408-V412 PolarHBondContact O-N 2.92Å; K408-V412 VanDerWaalsContact O-N 3.09Å; L409-V412 PolarHBondContact O-N 3.44Å; V412-K414 PolarHBondContact O-N 3.38Å; V412-K414 VanDerWaalsContact O-N 3.16Å; V412-A415 PolarHBondContact O-N 2.91Å; V412-A415 VanDerWaalsContact O-N 3.08Å; V412-L416 HydrophobicContact CG1-CD1 3.71Å; V412-L416 HydrophobicContact CG1-CG 4.13Å; V412-L416 WeakPolarHBondContact O-CG 3.19Å; V412-L416 PolarHBondContact O-N 2.88Å; V412-W478 HydrophobicContact CG1-CD2 3.76Å; V412-W478 HydrophobicContact CG1-CE3 3.9Å; V412-W478 HydrophobicContact CG1-CG 4.29Å; V412-W478 HydrophobicContact CG1-CH2 4.27Å; V412-W478 HydrophobicContact CG1-CZ2 4.15Å; V412-W478 HydrophobicContact CG1-CZ3 4.15Å; V412-W478 HydrophobicContact CG2-CH2 4.4Å; V412-W478 HydrophobicContact CG2-CZ3 4.19Å; V412-L503 HydrophobicContact CG1-CD1 4.45Å
413	Q	96.9	Very high	95.4	Very high	4 Å²	4	25.7 Å²	25.7	2%	0.019	12%	0.122	C	C	.	.	H	α-helix	trans	-52.1	-40.4	179.8	-154.9	-162.6	7.1	0	0	112.9	L409 R410 R417 L418 D419 L503 C504	L409-Q413 VanDerWaalsContact O-CB 3.28Å; L409-Q413 WeakPolarHBondContact O-CB 3.46Å; L409-Q413 PolarHBondContact O-N 2.82Å; R410-Q413 VanDerWaalsContact CD-OE1 3.32Å; Q413-R417 PolarHBondContact O-N 3.36Å; Q413-L418 PolarHBondContact O-N 3.1Å; Q413-L418 VanDerWaalsContact O-N 3.13Å; Q413-D419 VanDerWaalsContact CD-CB 3.48Å; Q413-D419 HydrophobicContact CG-CB 3.79Å; Q413-D419 PolarHBondContact O-N 2.91Å; Q413-L503 HydrophobicContact CB-CD2 4.48Å; Q413-L503 HydrophobicContact CG-CB 4.26Å; Q413-L503 HydrophobicContact CG-CD2 4.36Å; Q413-L503 WeakPolarHBondContact CG-O 3.35Å; Q413-L503 PolarHBondContact NE2-O 3.47Å; Q413-C504 PolarHBondContact NE2-O 3.11Å
414	K	95.4	Very high	95.6	Very high	80 Å²	80	29.6 Å²	29.6	35%	0.348	15%	0.146	S	C	.	.	H	α-helix	trans	-78.1	-39.2	177.2	-77.7	177.2	174.5	170.7	0	113.6	R410 R411 V412 L416 R417 E602	R410-K414 WeakPolarHBondContact O-CG 3.49Å; R410-K414 PolarHBondContact O-N 2.95Å; R411-K414 PolarHBondContact O-N 2.95Å; V412-K414 PolarHBondContact O-N 3.38Å; V412-K414 VanDerWaalsContact O-N 3.16Å; K414-L416 VanDerWaalsContact C-N 3.25Å; K414-L416 PolarHBondContact O-N 3.36Å; K414-R417 PolarHBondContact O-N 2.86Å; K414-R417 VanDerWaalsContact O-N 3.16Å; K414-E602 IonicContact NZ-OE1 3.9Å; K414-E602 PolarHBondContact NZ-OE1 2.95Å; K414-E602 IonicContact NZ-OE2 2.82Å; K414-E602 PolarHBondContact NZ-OE2 2.87Å
415	A	96.4	Very high	95.5	Very high	43 Å²	43	28.5 Å²	28.5	36%	0.355	14%	0.142	S	C	.	.	H	α-helix	trans	-62.7	-37.5	176.5	0	0	0	0	0	111.2	L388 R411 V412	L388-A415 HydrophobicContact CD1-CB 3.92Å; L388-A415 HydrophobicContact CD2-CB 3.72Å; L388-A415 HydrophobicContact CG-CB 4.42Å; R411-A415 WeakPolarHBondContact O-CB 3.4Å; R411-A415 PolarHBondContact O-N 2.9Å; V412-A415 PolarHBondContact O-N 2.91Å; V412-A415 VanDerWaalsContact O-N 3.08Å
416	L	96.5	Very high	95.5	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-5	175	-57.2	-176.2	0	0	0	114	M385 V412 K414 L418 Y455 M474 W478 L503	M385-L416 HydrophobicContact SD-CD2 4.28Å; V412-L416 HydrophobicContact CG1-CD1 3.71Å; V412-L416 HydrophobicContact CG1-CG 4.13Å; V412-L416 WeakPolarHBondContact O-CG 3.19Å; V412-L416 PolarHBondContact O-N 2.88Å; K414-L416 VanDerWaalsContact C-N 3.25Å; K414-L416 PolarHBondContact O-N 3.36Å; L416-L418 HydrophobicContact CB-CD1 4.07Å; L416-L418 HydrophobicContact CB-CG 3.97Å; L416-L418 HydrophobicContact CD1-CD1 3.95Å; L416-L418 PolarHBondContact O-N 2.65Å; L416-Y455 PolarHBondContact O-OH 3.44Å; L416-M474 HydrophobicContact CD2-CB 3.64Å; L416-M474 WeakPolarHBondContact CD2-O 3.5Å; L416-W478 HydrophobicContact CD1-CB 3.76Å; L416-W478 HydrophobicContact CD1-CD2 4.48Å; L416-W478 HydrophobicContact CD1-CG 3.68Å; L416-W478 HydrophobicContact CD2-CB 4.48Å; L416-L503 HydrophobicContact CD1-CD1 4.43Å
417	R	95.1	Very high	95.4	Very high	102 Å²	102	31.4 Å²	31.4	39%	0.385	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.9	5.3	-173	-56.2	-59.3	-170.2	89.1	5.8	116.6	Q413 K414 D419 L420 Y455	Q413-R417 PolarHBondContact O-N 3.36Å; K414-R417 PolarHBondContact O-N 2.86Å; K414-R417 VanDerWaalsContact O-N 3.16Å; R417-D419 PolarHBondContact O-N 3.38Å; R417-L420 HydrophobicContact CB-CD1 4.44Å; R417-L420 WeakPolarHBondContact O-CB 3.39Å; R417-L420 PolarHBondContact O-N 2.97Å; R417-Y455 HydrophobicContact CB-CE1 4.42Å
418	L	95.6	Very high	95.3	Very high	3 Å²	3	34 Å²	34	2%	0.016	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-19.3	176.2	-67.4	174.7	0	0	0	112.9	Q413 L416 L420 V421 L454 Y455 I500 L503 C504 G505	Q413-L418 PolarHBondContact O-N 3.1Å; Q413-L418 VanDerWaalsContact O-N 3.13Å; L416-L418 HydrophobicContact CB-CD1 4.07Å; L416-L418 HydrophobicContact CB-CG 3.97Å; L416-L418 HydrophobicContact CD1-CD1 3.95Å; L416-L418 PolarHBondContact O-N 2.65Å; L418-L420 PolarHBondContact O-N 2.94Å; L418-V421 HydrophobicContact CD2-CG2 4.26Å; L418-V421 PolarHBondContact O-N 3.39Å; L418-L454 HydrophobicContact CD2-CD2 4.48Å; L418-Y455 VanDerWaalsContact CD2-OH 3.24Å; L418-Y455 WeakPolarHBondContact CD2-OH 3.2Å; L418-I500 HydrophobicContact CD1-CD1 4.39Å; L418-I500 HydrophobicContact CD2-CD1 3.97Å; L418-L503 CarbonylContact C-O 3.6Å; L418-L503 HydrophobicContact CB-CB 4.08Å; L418-L503 HydrophobicContact CD1-CB 3.72Å; L418-L503 HydrophobicContact CD1-CD1 3.94Å; L418-L503 HydrophobicContact CD1-CG 4.5Å; L418-C504 CarbonylContact O-C 3.58Å; L418-C504 VanDerWaalsContact O-CA 3.26Å; L418-C504 WeakPolarHBondContact O-CA 3.22Å; L418-G505 PolarHBondContact O-N 3.18Å
419	D	94.2	Very high	95.1	Very high	37 Å²	37	33.5 Å²	33.5	20%	0.198	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-6.9	172.9	77.4	-43.3	0	0	0	115.5	R410 Q413 R417	R410-D419 IonicContact CZ-OD2 3.5Å; R410-D419 VanDerWaalsContact NH1-CG 3.32Å; R410-D419 IonicContact NH1-OD2 2.67Å; R410-D419 PolarHBondContact NH1-OD2 3.19Å; R410-D419 IonicContact NH2-OD2 2.8Å; R410-D419 PolarHBondContact NH2-OD2 3.34Å; Q413-D419 VanDerWaalsContact CD-CB 3.48Å; Q413-D419 HydrophobicContact CG-CB 3.79Å; Q413-D419 PolarHBondContact O-N 2.91Å; R417-D419 PolarHBondContact O-N 3.38Å
420	L	93.2	Very high	95	Very high	54 Å²	54	33.7 Å²	33.7	28%	0.283	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.7	-23.1	173.9	-52.9	179.7	0	0	0	113.2	R417 L418 L458 R462 I464	R417-L420 HydrophobicContact CB-CD1 4.44Å; R417-L420 WeakPolarHBondContact O-CB 3.39Å; R417-L420 PolarHBondContact O-N 2.97Å; L418-L420 PolarHBondContact O-N 2.94Å; L420-L458 HydrophobicContact CB-CD1 3.92Å; L420-L458 HydrophobicContact CB-CD2 4.19Å; L420-R462 PolarHBondContact O-NH2 2.95Å; L420-I464 HydrophobicContact CD1-CD1 3.68Å
421	V	94.1	Very high	94.7	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.187	C	C	.	.			trans	-73.1	134.9	179.8	175.3	0	0	0	0	110.1	L418 L454 L458 C504 G505	L418-V421 HydrophobicContact CD2-CG2 4.26Å; L418-V421 PolarHBondContact O-N 3.39Å; V421-L454 HydrophobicContact CG1-CD1 3.82Å; V421-L454 HydrophobicContact CG1-CD2 4.34Å; V421-L454 HydrophobicContact CG1-CG 4.28Å; V421-L454 HydrophobicContact CG2-CG 4.42Å; V421-L458 HydrophobicContact CG2-CD1 4.31Å; V421-L458 HydrophobicContact CG2-CD2 3.93Å; V421-C504 WeakPolarHBondContact O-CB 3.1Å; V421-G505 PolarHBondContact O-N 3.45Å
422	T	94.5	Very high	94.4	Very high	40 Å²	40	38.3 Å²	38.3	25%	0.245	20%	0.197	C	C	.	.			trans	-94.3	156.9	173	81.4	0	0	0	0	111.6	T424 T425 A426	T422-T424 PolarHBondContact O-N 3.49Å; T422-T424 PolarHBondContact OG1-N 2.76Å; T422-T425 WeakPolarHBondContact O-CB 3.2Å; T422-T425 PolarHBondContact O-N 2.99Å; T422-T425 PolarHBondContact OG1-N 3.48Å; T422-T425 PolarHBondContact OG1-OG1 3.3Å; T422-A426 PolarHBondContact O-N 3.39Å
423	L	94.9	Very high	93.8	Very high	12 Å²	12	41.4 Å²	41.4	6%	0.063	21%	0.211	C	C	.	.	H	α-helix	trans	-61.1	-32.9	171.9	-176	59.8	0	0	0	112	A426 L427 A501 T506 E510 Y514	L423-A426 PolarHBondContact O-N 3.48Å; L423-L427 HydrophobicContact CG-CD1 4.22Å; L423-L427 WeakPolarHBondContact O-CB 3.3Å; L423-L427 VanDerWaalsContact O-CG 3.24Å; L423-L427 WeakPolarHBondContact O-CG 3.41Å; L423-L427 PolarHBondContact O-N 3.21Å; L423-A501 HydrophobicContact CD1-CB 4.26Å; L423-T506 HydrophobicContact CB-CG2 3.85Å; L423-T506 WeakPolarHBondContact CB-OG1 3.5Å; L423-T506 HydrophobicContact CD2-CG2 4.21Å; L423-T506 PolarHBondContact N-OG1 3.37Å; L423-E510 HydrophobicContact CD2-CB 4.42Å; L423-Y514 HydrophobicContact CD1-CD1 3.85Å; L423-Y514 HydrophobicContact CD1-CE1 4.27Å; L423-Y514 HydrophobicContact CD1-CG 4Å; L423-Y514 HydrophobicContact CD2-CG 4.35Å
424	T	94.2	Very high	93.3	Very high	83 Å²	83	48 Å²	48	51%	0.509	25%	0.246	S	C	.	.	H	α-helix	trans	-62.9	-50.1	173.6	-46.2	0	0	0	0	111.1	T422 A426 L427 E428	T422-T424 PolarHBondContact O-N 3.49Å; T422-T424 PolarHBondContact OG1-N 2.76Å; T424-A426 VanDerWaalsContact C-N 3.3Å; T424-A426 PolarHBondContact O-N 3.04Å; T424-L427 WeakPolarHBondContact O-CB 3.35Å; T424-L427 PolarHBondContact O-N 3.23Å; T424-E428 WeakPolarHBondContact O-CG 3.5Å; T424-E428 PolarHBondContact O-N 3.43Å
425	T	93.4	Very high	92.9	Very high	2 Å²	2	44.5 Å²	44.5	1%	0.012	23%	0.231	C	C	.	.	H	α-helix	trans	-53.5	-48.3	174.9	-44.3	0	0	0	0	110.7	T422 E428 I429 L454 E461	T422-T425 WeakPolarHBondContact O-CB 3.2Å; T422-T425 PolarHBondContact O-N 2.99Å; T422-T425 PolarHBondContact OG1-N 3.48Å; T422-T425 PolarHBondContact OG1-OG1 3.3Å; T425-E428 PolarHBondContact O-N 2.83Å; T425-I429 WeakPolarHBondContact O-CG1 3.49Å; T425-I429 PolarHBondContact O-N 3.38Å; T425-L454 HydrophobicContact CG2-CD1 4.22Å; T425-E461 PolarHBondContact OG1-OE1 2.88Å
426	A	94.4	Very high	92.1	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-64.9	-41.5	179.3	0	0	0	0	0	113.1	T422 L423 T424 E428 I429 F430 L454 I500	T422-A426 PolarHBondContact O-N 3.39Å; L423-A426 PolarHBondContact O-N 3.48Å; T424-A426 VanDerWaalsContact C-N 3.3Å; T424-A426 PolarHBondContact O-N 3.04Å; A426-E428 VanDerWaalsContact C-N 3.31Å; A426-E428 PolarHBondContact O-N 2.82Å; A426-I429 PolarHBondContact O-N 2.94Å; A426-F430 HydrophobicContact CB-CE2 4.05Å; A426-F430 HydrophobicContact CB-CZ 3.99Å; A426-F430 VanDerWaalsContact O-CD1 3.3Å; A426-F430 WeakPolarHBondContact O-CD1 3.46Å; A426-F430 VanDerWaalsContact O-CD2 3.23Å; A426-F430 WeakPolarHBondContact O-CD2 3.3Å; A426-F430 WeakPolarHBondContact O-CG 3.41Å; A426-F430 PolarHBondContact O-N 3.27Å; A426-L454 HydrophobicContact CB-CD1 4.35Å; A426-I500 HydrophobicContact CB-CG2 3.98Å
427	L	93.7	Very high	91.4	Very high	61 Å²	61	50.7 Å²	50.7	32%	0.319	26%	0.263	S	S	.	.	H	α-helix	trans	-60.4	-39.4	177	-80.4	167.5	0	0	0	112.6	L423 T424 F430 N431 Y514	L423-L427 HydrophobicContact CG-CD1 4.22Å; L423-L427 WeakPolarHBondContact O-CB 3.3Å; L423-L427 VanDerWaalsContact O-CG 3.24Å; L423-L427 WeakPolarHBondContact O-CG 3.41Å; L423-L427 PolarHBondContact O-N 3.21Å; T424-L427 WeakPolarHBondContact O-CB 3.35Å; T424-L427 PolarHBondContact O-N 3.23Å; L427-F430 PolarHBondContact O-N 3.27Å; L427-N431 PolarHBondContact O-N 2.91Å; L427-N431 PolarHBondContact O-ND2 3.5Å; L427-N431 PolarHBondContact O-OD1 3.36Å; L427-Y514 HydrophobicContact CD2-CD2 3.84Å; L427-Y514 HydrophobicContact CD2-CE2 3.41Å; L427-Y514 VanDerWaalsContact CD2-CE2 3.41Å; L427-Y514 HydrophobicContact CG-CE2 4.44Å
428	E	93.1	Very high	90.8	Very high	73 Å²	73	47.1 Å²	47.1	34%	0.341	25%	0.254	S	S	.	.	H	α-helix	trans	-68.9	-45.8	-179.4	-71	161.9	161.7	0	0	110.8	T424 T425 A426 F430 N431 E432 R457	T424-E428 WeakPolarHBondContact O-CG 3.5Å; T424-E428 PolarHBondContact O-N 3.43Å; T425-E428 PolarHBondContact O-N 2.83Å; A426-E428 VanDerWaalsContact C-N 3.31Å; A426-E428 PolarHBondContact O-N 2.82Å; E428-F430 VanDerWaalsContact C-N 3.32Å; E428-F430 PolarHBondContact O-N 2.87Å; E428-N431 WeakPolarHBondContact O-CB 2.9Å; E428-N431 PolarHBondContact O-N 2.79Å; E428-E432 WeakPolarHBondContact O-CG 3.37Å; E428-E432 PolarHBondContact O-N 3.45Å; E428-R457 VanDerWaalsContact CB-NH1 3.28Å; E428-R457 IonicContact OE2-CZ 2.66Å; E428-R457 IonicContact OE2-NH1 2.65Å; E428-R457 PolarHBondContact OE2-NH1 2.79Å; E428-R457 IonicContact OE2-NH2 3.73Å; E428-R457 PolarHBondContact OE2-NH2 3.31Å
429	I	93.7	Very high	90.2	Very high	3 Å²	3	55.4 Å²	55.4	2%	0.015	29%	0.293	C	S	.	.	H	α-helix	trans	-57.9	-41.9	171.3	-58.8	-53.6	0	0	0	111.8	T425 A426 N431 E432 H433 A453 L454	T425-I429 WeakPolarHBondContact O-CG1 3.49Å; T425-I429 PolarHBondContact O-N 3.38Å; A426-I429 PolarHBondContact O-N 2.94Å; I429-N431 PolarHBondContact O-N 3.26Å; I429-E432 WeakPolarHBondContact CD1-OE2 3.2Å; I429-E432 PolarHBondContact O-N 2.82Å; I429-H433 PolarHBondContact O-N 2.93Å; I429-H433 VanDerWaalsContact O-N 3.11Å; I429-H433 PolarHBondContact O-ND1 3.4Å; I429-A453 HydrophobicContact CD1-CB 4Å; I429-A453 HydrophobicContact CG2-CB 4.34Å; I429-L454 HydrophobicContact CG1-CB 4.39Å; I429-L454 HydrophobicContact CG1-CD1 3.95Å
430	F	93.6	Very high	90	Very high	4 Å²	4	57 Å²	57	2%	0.018	30%	0.298	C	S	.	.	H	α-helix	trans	-66	-24.8	177.1	-59.1	-22	0	0	0	113.3	A426 L427 E428 L435 F496 K497 I500 Y514	A426-F430 HydrophobicContact CB-CE2 4.05Å; A426-F430 HydrophobicContact CB-CZ 3.99Å; A426-F430 VanDerWaalsContact O-CD1 3.3Å; A426-F430 WeakPolarHBondContact O-CD1 3.46Å; A426-F430 VanDerWaalsContact O-CD2 3.23Å; A426-F430 WeakPolarHBondContact O-CD2 3.3Å; A426-F430 WeakPolarHBondContact O-CG 3.41Å; A426-F430 PolarHBondContact O-N 3.27Å; L427-F430 PolarHBondContact O-N 3.27Å; E428-F430 VanDerWaalsContact C-N 3.32Å; E428-F430 PolarHBondContact O-N 2.87Å; F430-L435 HydrophobicContact CB-CB 4.42Å; F430-L435 HydrophobicContact CD1-CD1 4.17Å; F430-L435 WeakPolarHBondContact O-CB 3.44Å; F430-L435 PolarHBondContact O-N 3.11Å; F430-F496 HydrophobicContact CD1-CE1 4.09Å; F430-F496 HydrophobicContact CE1-CD1 4.1Å; F430-F496 AromaticContact CE1-CE1 3.56Å; F430-F496 HydrophobicContact CE1-CE1 3.56Å; F430-F496 HydrophobicContact CE1-CZ 4.3Å; F430-K497 HydrophobicContact CD2-CG 4.07Å; F430-K497 HydrophobicContact CE2-CB 4.33Å; F430-K497 HydrophobicContact CE2-CG 3.89Å; F430-K497 HydrophobicContact CZ-CG 4.2Å; F430-I500 HydrophobicContact CZ-CB 4.16Å; F430-I500 HydrophobicContact CZ-CG1 4.49Å; F430-I500 HydrophobicContact CZ-CG2 4.14Å; F430-Y514 WeakPolarHBondContact CD2-OH 3.43Å; F430-Y514 WeakPolarHBondContact CE2-OH 3.31Å
431	N	90.5	Very high	90	Very high	84 Å²	84	58 Å²	58	45%	0.449	31%	0.307	S	S	.	.	H	α-helix	trans	-80.2	-41.3	174.1	-63.4	-24.1	0	0	0	111.3	L427 E428 I429 H433 D434 Q436	L427-N431 PolarHBondContact O-N 2.91Å; L427-N431 PolarHBondContact O-ND2 3.5Å; L427-N431 PolarHBondContact O-OD1 3.36Å; E428-N431 WeakPolarHBondContact O-CB 2.9Å; E428-N431 PolarHBondContact O-N 2.79Å; I429-N431 PolarHBondContact O-N 3.26Å; N431-H433 VanDerWaalsContact C-N 3.25Å; N431-H433 PolarHBondContact O-N 2.75Å; N431-D434 PolarHBondContact O-N 2.84Å; N431-Q436 PolarHBondContact OD1-NE2 2.93Å
432	E	90.3	Very high	90	Very high	120 Å²	120	58 Å²	58	56%	0.561	31%	0.307	S	S	*	.	H	α-helix	trans	-63.3	-30	178.1	-70.1	158.8	-164.7	0	0	112.8	E428 I429	E428-E432 WeakPolarHBondContact O-CG 3.37Å; E428-E432 PolarHBondContact O-N 3.45Å; I429-E432 WeakPolarHBondContact CD1-OE2 3.2Å; I429-E432 PolarHBondContact O-N 2.82Å
433	H	87	Confident	89.9	Confident	65 Å²	65	59 Å²	59	30%	0.301	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.2	19.8	178.5	-63.9	70.3	0	0	0	113.3	I429 N431 L435 C450	I429-H433 PolarHBondContact O-N 2.93Å; I429-H433 VanDerWaalsContact O-N 3.11Å; I429-H433 PolarHBondContact O-ND1 3.4Å; N431-H433 VanDerWaalsContact C-N 3.25Å; N431-H433 PolarHBondContact O-N 2.75Å; H433-L435 HydrophobicContact CB-CD1 4.47Å; H433-L435 HydrophobicContact CB-CG 4.09Å; H433-L435 WeakPolarHBondContact O-CG 3.26Å; H433-L435 PolarHBondContact O-N 2.7Å; H433-C450 PolarHBondContact CD2-SG 3.29Å
434	D	86.1	Confident	89.9	Confident	141 Å²	141	58.6 Å²	58.6	75%	0.754	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.3	19.6	177.8	-87.4	-40.9	0	0	0	116.3	N431 Q436	N431-D434 PolarHBondContact O-N 2.84Å; D434-Q436 PolarHBondContact O-N 3.22Å
435	L	86.3	Confident	89.7	Confident	7 Å²	7	55.3 Å²	55.3	4%	0.037	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	34	-175.6	-60.5	-177.1	0	0	0	114	F430 H433 M442 F496 K497	F430-L435 HydrophobicContact CB-CB 4.42Å; F430-L435 HydrophobicContact CD1-CD1 4.17Å; F430-L435 WeakPolarHBondContact O-CB 3.44Å; F430-L435 PolarHBondContact O-N 3.11Å; H433-L435 HydrophobicContact CB-CD1 4.47Å; H433-L435 HydrophobicContact CB-CG 4.09Å; H433-L435 WeakPolarHBondContact O-CG 3.26Å; H433-L435 PolarHBondContact O-N 2.7Å; L435-M442 HydrophobicContact CD1-CE 3.74Å; L435-M442 HydrophobicContact CD1-SD 3.94Å; L435-M442 HydrophobicContact CD2-CE 3.94Å; L435-M442 HydrophobicContact CD2-CG 4.02Å; L435-M442 HydrophobicContact CD2-SD 3.84Å; L435-F496 HydrophobicContact CD1-CD1 4.03Å; L435-F496 HydrophobicContact CD1-CE1 4.01Å; L435-K497 WeakPolarHBondContact O-CE 3.21Å; L435-K497 PolarHBondContact O-NZ 3.18Å
436	Q	79.1	Confident	89.7	Confident	114 Å²	114	59 Å²	59	53%	0.533	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-48	-178.7	-60.1	-53.2	-52.5	0	0	111.6	N431 D434 S438 K497	N431-Q436 PolarHBondContact OD1-NE2 2.93Å; D434-Q436 PolarHBondContact O-N 3.22Å; Q436-S438 PolarHBondContact O-N 3.47Å; Q436-K497 PolarHBondContact O-NZ 3.47Å
437	A	82.2	Confident	89.7	Confident	59 Å²	59	59.1 Å²	59.1	49%	0.488	31%	0.306	S	S	.	.			trans	-71.5	113.4	-176.6	0	0	0	0	0	112.3	E439 H440	A437-E439 PolarHBondContact O-N 3.23Å; A437-E439 VanDerWaalsContact O-N 3.14Å; A437-H440 HydrophobicContact CB-CB 4.31Å; A437-H440 WeakPolarHBondContact O-CB 3.24Å; A437-H440 PolarHBondContact O-N 2.9Å; A437-H440 VanDerWaalsContact O-N 3.12Å
438	S	81.8	Confident	89.8	Confident	27 Å²	27	56.2 Å²	56.2	19%	0.189	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-24.1	175.5	-68.7	0	0	0	0	114.2	Q436 L494 Q518	Q436-S438 PolarHBondContact O-N 3.47Å; S438-L494 WeakPolarHBondContact O-CB 3.47Å; S438-L494 PolarHBondContact O-N 3.22Å; S438-Q518 PolarHBondContact OG-O 2.93Å
439	E	83.3	Confident	89.7	Confident	178 Å²	178	56.4 Å²	56.4	83%	0.832	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-11.5	179.5	-60.2	-173.6	149.9	0	0	114.1	A437 V441	A437-E439 PolarHBondContact O-N 3.23Å; A437-E439 VanDerWaalsContact O-N 3.14Å; E439-V441 PolarHBondContact O-N 3Å
440	H	90.8	Very high	89.8	Confident	69 Å²	69	56.4 Å²	56.4	32%	0.319	29%	0.292	S	S	.	.			trans	-60.2	137.9	176.8	165.5	73.3	0	0	0	110.5	A437 M442 E446 A493	A437-H440 HydrophobicContact CB-CB 4.31Å; A437-H440 WeakPolarHBondContact O-CB 3.24Å; A437-H440 PolarHBondContact O-N 2.9Å; A437-H440 VanDerWaalsContact O-N 3.12Å; H440-M442 WeakPolarHBondContact NE2-CG 3.49Å; H440-E446 IonicContact CE1-OE1 3.2Å; H440-A493 HydrophobicContact CB-CB 4.3Å; H440-A493 WeakPolarHBondContact O-CB 3.31Å; H440-A493 PolarHBondContact O-N 2.98Å
441	V	92.9	Very high	89.9	Confident	75 Å²	75	56.2 Å²	56.2	46%	0.455	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	107.6	179.7	179.6	0	0	0	0	107.9	E439 K490 M491	E439-V441 PolarHBondContact O-N 3Å; V441-K490 HydrophobicContact CG1-CB 3.77Å; V441-K490 HydrophobicContact CG1-CD 4.19Å; V441-K490 HydrophobicContact CG1-CG 4.18Å; V441-M491 CarbonylContact C-O 3.58Å
442	M	94.1	Very high	90.1	Very high	1 Å²	1	53 Å²	53	1%	0.005	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	145.9	176.3	-57	171	71.3	0	0	110.2	L435 H440 E446 V447 C450 K490 M491 A493 F496	L435-M442 HydrophobicContact CD1-CE 3.74Å; L435-M442 HydrophobicContact CD1-SD 3.94Å; L435-M442 HydrophobicContact CD2-CE 3.94Å; L435-M442 HydrophobicContact CD2-CG 4.02Å; L435-M442 HydrophobicContact CD2-SD 3.84Å; H440-M442 WeakPolarHBondContact NE2-CG 3.49Å; M442-E446 VanDerWaalsContact CA-OE2 3.24Å; M442-E446 WeakPolarHBondContact CA-OE2 3.41Å; M442-E446 HydrophobicContact CB-CB 4.22Å; M442-E446 HydrophobicContact CE-CB 4.25Å; M442-V447 HydrophobicContact CB-CG2 3.98Å; M442-V447 HydrophobicContact CE-CB 4.47Å; M442-V447 HydrophobicContact CE-CG2 3.77Å; M442-V447 HydrophobicContact SD-CG2 4.24Å; M442-C450 HydrophobicContact CE-CB 4.42Å; M442-K490 WeakPolarHBondContact O-CA 3.47Å; M442-M491 PolarHBondContact N-O 3.33Å; M442-M491 PolarHBondContact O-N 3.47Å; M442-A493 HydrophobicContact SD-CB 4.31Å; M442-F496 HydrophobicContact CE-CD1 3.9Å; M442-F496 HydrophobicContact CE-CE1 4.12Å; M442-F496 HydrophobicContact CE-CG 4.35Å; M442-F496 HydrophobicContact SD-CB 3.97Å; M442-F496 HydrophobicContact SD-CD1 3.77Å; M442-F496 HydrophobicContact SD-CG 4.02Å
443	D	93.4	Very high	90.3	Very high	62 Å²	62	48.2 Å²	48.2	33%	0.332	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	177.6	164.8	91.4	1.4	0	0	0	112.7	V445 E446 V447	D443-V445 VanDerWaalsContact C-N 3.28Å; D443-V445 PolarHBondContact O-N 2.85Å; D443-V445 WeakPolarHBondContact OD1-CA 3.41Å; D443-V445 WeakPolarHBondContact OD1-CB 3.36Å; D443-V445 PolarHBondContact OD1-N 3.18Å; D443-E446 PolarHBondContact N-OE2 3.34Å; D443-E446 PolarHBondContact OD1-N 3.19Å; D443-V447 WeakPolarHBondContact O-CG2 3.21Å; D443-V447 PolarHBondContact O-N 3.08Å; D443-V447 VanDerWaalsContact O-N 3.14Å
444	V	93.6	Very high	90.6	Very high	3 Å²	3	45.2 Å²	45.2	2%	0.018	24%	0.242	C	C	.	.	H	α-helix	trans	-62.1	-33.8	-179.7	-178	0	0	0	0	112.6	K366 V367 I448 L476 G489	K366-V444 WeakPolarHBondContact O-CG1 3.29Å; V367-V444 HydrophobicContact CG2-CG2 4.1Å; V444-I448 HydrophobicContact CG1-CD1 4Å; V444-I448 WeakPolarHBondContact O-CD1 3.4Å; V444-I448 WeakPolarHBondContact O-CG1 3.41Å; V444-I448 PolarHBondContact O-N 2.84Å; V444-L476 HydrophobicContact CG1-CD1 4.15Å; V444-L476 HydrophobicContact CG1-CD2 4.06Å; V444-G489 PolarHBondContact N-O 3.02Å
445	V	91.3	Very high	91	Very high	14 Å²	14	38.5 Å²	38.5	9%	0.085	21%	0.206	C	C	.	.	H	α-helix	trans	-77.3	-41.2	-177.4	179.1	0	0	0	0	110.5	Q347 D443 V447 I448 H449	Q347-V445 HydrophobicContact CG-CG2 4.34Å; D443-V445 VanDerWaalsContact C-N 3.28Å; D443-V445 PolarHBondContact O-N 2.85Å; D443-V445 WeakPolarHBondContact OD1-CA 3.41Å; D443-V445 WeakPolarHBondContact OD1-CB 3.36Å; D443-V445 PolarHBondContact OD1-N 3.18Å; V445-V447 VanDerWaalsContact C-N 3.32Å; V445-V447 PolarHBondContact O-N 3.08Å; V445-I448 WeakPolarHBondContact O-CA 3.38Å; V445-I448 WeakPolarHBondContact O-CB 3.39Å; V445-I448 PolarHBondContact O-N 2.63Å; V445-I448 VanDerWaalsContact O-N 3.09Å; V445-H449 VanDerWaalsContact CG1-CE1 3.4Å; V445-H449 WeakPolarHBondContact CG1-CE1 3.5Å; V445-H449 PolarHBondContact O-N 2.95Å; V445-H449 PolarHBondContact O-ND1 2.87Å
446	E	92.8	Very high	91.3	Very high	79 Å²	79	43 Å²	43	37%	0.369	23%	0.227	S	C	.	.	H	α-helix	trans	-60	-41.8	172.1	-68.8	171.9	131.1	0	0	111.5	H440 M442 D443 H449 C450	H440-E446 IonicContact CE1-OE1 3.2Å; M442-E446 VanDerWaalsContact CA-OE2 3.24Å; M442-E446 WeakPolarHBondContact CA-OE2 3.41Å; M442-E446 HydrophobicContact CB-CB 4.22Å; M442-E446 HydrophobicContact CE-CB 4.25Å; D443-E446 PolarHBondContact N-OE2 3.34Å; D443-E446 PolarHBondContact OD1-N 3.19Å; E446-H449 PolarHBondContact O-N 3.07Å; E446-C450 PolarHBondContact O-N 2.89Å; E446-C450 VanDerWaalsContact O-N 3.09Å; E446-C450 PolarHBondContact O-SG 3.29Å
447	V	94.9	Very high	91.9	Very high	2 Å²	2	40 Å²	40	1%	0.012	21%	0.211	C	C	.	.	H	α-helix	trans	-64.2	-38.2	172.8	173.9	0	0	0	0	111.7	M442 D443 V445 L451 L476 L479 F496	M442-V447 HydrophobicContact CB-CG2 3.98Å; M442-V447 HydrophobicContact CE-CB 4.47Å; M442-V447 HydrophobicContact CE-CG2 3.77Å; M442-V447 HydrophobicContact SD-CG2 4.24Å; D443-V447 WeakPolarHBondContact O-CG2 3.21Å; D443-V447 PolarHBondContact O-N 3.08Å; D443-V447 VanDerWaalsContact O-N 3.14Å; V445-V447 VanDerWaalsContact C-N 3.32Å; V445-V447 PolarHBondContact O-N 3.08Å; V447-L451 HydrophobicContact CG1-CD1 3.89Å; V447-L451 HydrophobicContact CG1-CG 4.42Å; V447-L451 WeakPolarHBondContact O-CB 3.27Å; V447-L451 VanDerWaalsContact O-CG 3.24Å; V447-L451 WeakPolarHBondContact O-CG 3.31Å; V447-L451 PolarHBondContact O-N 3.08Å; V447-L476 HydrophobicContact CB-CD1 4.26Å; V447-L476 HydrophobicContact CG1-CD1 3.66Å; V447-L479 HydrophobicContact CG1-CD1 4.48Å; V447-F496 HydrophobicContact CG1-CD2 4.05Å; V447-F496 HydrophobicContact CG1-CE2 3.94Å; V447-F496 HydrophobicContact CG2-CD2 4.44Å
448	I	94.6	Very high	92.3	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.005	19%	0.188	C	C	.	.	H	α-helix	trans	-63.5	-47.3	175.2	-76.8	164	0	0	0	111.3	Q347 F349 L350 V444 V445 C450 L451 T452 V472 L476	Q347-I448 HydrophobicContact CB-CD1 4.23Å; Q347-I448 HydrophobicContact CG-CD1 3.58Å; F349-I448 HydrophobicContact CE1-CG2 3.75Å; F349-I448 HydrophobicContact CZ-CG2 3.78Å; L350-I448 HydrophobicContact CD1-CD1 3.69Å; L350-I448 HydrophobicContact CD1-CG1 3.92Å; L350-I448 HydrophobicContact CD1-CG2 4.05Å; V444-I448 HydrophobicContact CG1-CD1 4Å; V444-I448 WeakPolarHBondContact O-CD1 3.4Å; V444-I448 WeakPolarHBondContact O-CG1 3.41Å; V444-I448 PolarHBondContact O-N 2.84Å; V445-I448 WeakPolarHBondContact O-CA 3.38Å; V445-I448 WeakPolarHBondContact O-CB 3.39Å; V445-I448 PolarHBondContact O-N 2.63Å; V445-I448 VanDerWaalsContact O-N 3.09Å; I448-C450 PolarHBondContact O-N 2.94Å; I448-L451 PolarHBondContact O-N 3.29Å; I448-T452 WeakPolarHBondContact O-CB 3.48Å; I448-T452 PolarHBondContact O-N 3.01Å; I448-T452 PolarHBondContact O-OG1 2.78Å; I448-V472 HydrophobicContact CG1-CG1 4.39Å; I448-V472 HydrophobicContact CG2-CG1 4.21Å; I448-L476 HydrophobicContact CD1-CD2 3.79Å; I448-L476 HydrophobicContact CG1-CD1 4.47Å; I448-L476 HydrophobicContact CG1-CD2 3.7Å
449	H	92.3	Very high	92.7	Very high	76 Å²	76	38.7 Å²	38.7	35%	0.352	19%	0.191	S	C	.	.	H	α-helix	trans	-60.2	-48.2	178.6	-67	145.4	0	0	0	111.6	P344 V445 E446 L451 T452 A453	P344-H449 PolarHBondContact O-CE1 3.11Å; P344-H449 VanDerWaalsContact O-CE1 3.31Å; V445-H449 VanDerWaalsContact CG1-CE1 3.4Å; V445-H449 WeakPolarHBondContact CG1-CE1 3.5Å; V445-H449 PolarHBondContact O-N 2.95Å; V445-H449 PolarHBondContact O-ND1 2.87Å; E446-H449 PolarHBondContact O-N 3.07Å; H449-L451 VanDerWaalsContact C-N 3.3Å; H449-L451 PolarHBondContact O-N 2.94Å; H449-T452 PolarHBondContact O-N 3.01Å; H449-A453 PolarHBondContact O-N 2.87Å
450	C	94.8	Very high	92.9	Very high	3 Å²	3	37.7 Å²	37.7	2%	0.02	19%	0.187	C	C	.	.	H	α-helix	trans	-59.7	-38.3	177.1	-63.7	0	0	0	0	112.7	H433 M442 E446 I448 L454 F496	H433-C450 PolarHBondContact CD2-SG 3.29Å; M442-C450 HydrophobicContact CE-CB 4.42Å; E446-C450 PolarHBondContact O-N 2.89Å; E446-C450 VanDerWaalsContact O-N 3.09Å; E446-C450 PolarHBondContact O-SG 3.29Å; I448-C450 PolarHBondContact O-N 2.94Å; C450-L454 VanDerWaalsContact O-CB 3.25Å; C450-L454 WeakPolarHBondContact O-CB 3.39Å; C450-L454 PolarHBondContact O-N 2.97Å; C450-F496 HydrophobicContact CB-CE1 3.67Å; C450-F496 HydrophobicContact CB-CZ 3.55Å
451	L	96	Very high	92.7	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-71.8	-34.1	175.3	-74.1	170.9	0	0	0	112.6	V447 I448 H449 L454 Y455 V472 L476 L479 F496 I500	V447-L451 HydrophobicContact CG1-CD1 3.89Å; V447-L451 HydrophobicContact CG1-CG 4.42Å; V447-L451 WeakPolarHBondContact O-CB 3.27Å; V447-L451 VanDerWaalsContact O-CG 3.24Å; V447-L451 WeakPolarHBondContact O-CG 3.31Å; V447-L451 PolarHBondContact O-N 3.08Å; I448-L451 PolarHBondContact O-N 3.29Å; H449-L451 VanDerWaalsContact C-N 3.3Å; H449-L451 PolarHBondContact O-N 2.94Å; L451-L454 PolarHBondContact O-N 2.89Å; L451-Y455 HydrophobicContact CD2-CE2 4.31Å; L451-Y455 WeakPolarHBondContact O-CD2 3.45Å; L451-Y455 PolarHBondContact O-N 2.79Å; L451-Y455 VanDerWaalsContact O-N 3.1Å; L451-V472 HydrophobicContact CB-CB 4.44Å; L451-V472 HydrophobicContact CB-CG1 3.99Å; L451-V472 HydrophobicContact CB-CG2 4.19Å; L451-V472 HydrophobicContact CD1-CG1 4.47Å; L451-L476 HydrophobicContact CD1-CB 3.95Å; L451-L479 HydrophobicContact CD1-CD1 4.15Å; L451-L479 HydrophobicContact CD2-CD1 4.17Å; L451-F496 HydrophobicContact CD2-CE2 4.1Å; L451-F496 HydrophobicContact CD2-CZ 4.47Å; L451-F496 HydrophobicContact CG-CE2 4.08Å; L451-F496 HydrophobicContact CG-CZ 4.41Å; L451-I500 HydrophobicContact CD2-CD1 4.02Å
452	T	94.2	Very high	92.2	Very high	16 Å²	16	40.7 Å²	40.7	10%	0.098	19%	0.191	C	C	.	.	H	α-helix	trans	-67.6	-54.7	-178.4	-55.7	0	0	0	0	109.7	F349 I448 H449 L454 Y455 E456 V468	F349-T452 HydrophobicContact CE2-CG2 4.3Å; F349-T452 HydrophobicContact CZ-CG2 4.2Å; F349-T452 WeakPolarHBondContact CZ-OG1 3.35Å; I448-T452 WeakPolarHBondContact O-CB 3.48Å; I448-T452 PolarHBondContact O-N 3.01Å; I448-T452 PolarHBondContact O-OG1 2.78Å; H449-T452 PolarHBondContact O-N 3.01Å; T452-L454 PolarHBondContact O-N 3.2Å; T452-Y455 PolarHBondContact O-N 3.39Å; T452-E456 HydrophobicContact CG2-CG 4.35Å; T452-E456 WeakPolarHBondContact O-CG 3.35Å; T452-E456 PolarHBondContact O-N 3.35Å; T452-V468 HydrophobicContact CG2-CG1 4.29Å
453	A	93.9	Very high	91.4	Very high	21 Å²	21	44.1 Å²	44.1	17%	0.174	23%	0.227	C	C	.	.	H	α-helix	trans	-56.6	-37.9	174.8	0	0	0	0	0	112.4	I429 H449 Y455 R457	I429-A453 HydrophobicContact CD1-CB 4Å; I429-A453 HydrophobicContact CG2-CB 4.34Å; H449-A453 PolarHBondContact O-N 2.87Å; A453-Y455 PolarHBondContact O-N 2.9Å; A453-R457 WeakPolarHBondContact O-CB 3.27Å; A453-R457 PolarHBondContact O-N 2.86Å
454	L	95.1	Very high	90.9	Very high	2 Å²	2	44 Å²	44	1%	0.01	23%	0.226	C	C	.	.	H	α-helix	trans	-63.8	-35.6	176.1	-171.7	70.5	0	0	0	113.4	L418 V421 T425 A426 I429 C450 L451 T452 L458 I500	L418-L454 HydrophobicContact CD2-CD2 4.48Å; V421-L454 HydrophobicContact CG1-CD1 3.82Å; V421-L454 HydrophobicContact CG1-CD2 4.34Å; V421-L454 HydrophobicContact CG1-CG 4.28Å; V421-L454 HydrophobicContact CG2-CG 4.42Å; T425-L454 HydrophobicContact CG2-CD1 4.22Å; A426-L454 HydrophobicContact CB-CD1 4.35Å; I429-L454 HydrophobicContact CG1-CB 4.39Å; I429-L454 HydrophobicContact CG1-CD1 3.95Å; C450-L454 VanDerWaalsContact O-CB 3.25Å; C450-L454 WeakPolarHBondContact O-CB 3.39Å; C450-L454 PolarHBondContact O-N 2.97Å; L451-L454 PolarHBondContact O-N 2.89Å; T452-L454 PolarHBondContact O-N 3.2Å; L454-L458 WeakPolarHBondContact O-CB 3.47Å; L454-L458 PolarHBondContact O-N 3.16Å; L454-I500 HydrophobicContact CD2-CD1 4.32Å; L454-I500 HydrophobicContact CD2-CG2 4.34Å
455	Y	94.6	Very high	90.3	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-87.3	-32.4	179.5	-75	-55.7	0	0	0	113.5	L416 R417 L418 L451 T452 A453 L458 E459 C471 V472 S475	L416-Y455 PolarHBondContact O-OH 3.44Å; R417-Y455 HydrophobicContact CB-CE1 4.42Å; L418-Y455 VanDerWaalsContact CD2-OH 3.24Å; L418-Y455 WeakPolarHBondContact CD2-OH 3.2Å; L451-Y455 HydrophobicContact CD2-CE2 4.31Å; L451-Y455 WeakPolarHBondContact O-CD2 3.45Å; L451-Y455 PolarHBondContact O-N 2.79Å; L451-Y455 VanDerWaalsContact O-N 3.1Å; T452-Y455 PolarHBondContact O-N 3.39Å; A453-Y455 PolarHBondContact O-N 2.9Å; Y455-L458 HydrophobicContact CD1-CD2 3.99Å; Y455-L458 HydrophobicContact CE1-CD2 4.33Å; Y455-L458 PolarHBondContact O-N 3.04Å; Y455-E459 PolarHBondContact O-N 2.72Å; Y455-C471 HydrophobicContact CD1-CB 3.94Å; Y455-C471 HydrophobicContact CD2-CB 3.77Å; Y455-C471 HydrophobicContact CE1-CB 4.01Å; Y455-C471 VanDerWaalsContact CE2-C 3.5Å; Y455-C471 HydrophobicContact CE2-CB 3.82Å; Y455-C471 WeakPolarHBondContact CE2-O 3.32Å; Y455-C471 HydrophobicContact CG-CB 3.86Å; Y455-V472 HydrophobicContact CD2-CG2 3.85Å; Y455-S475 WeakPolarHBondContact CE2-OG 3.36Å; Y455-S475 PolarHBondContact OH-OG 3.18Å
456	E	92.4	Very high	90.1	Very high	100 Å²	100	51.4 Å²	51.4	47%	0.467	26%	0.264	S	S	.	.	H	α-helix	trans	-63.8	-50.5	171.8	-69.9	171.5	153.7	0	0	110.3	T452 L458 E459 E460 V468	T452-E456 HydrophobicContact CG2-CG 4.35Å; T452-E456 WeakPolarHBondContact O-CG 3.35Å; T452-E456 PolarHBondContact O-N 3.35Å; E456-L458 PolarHBondContact O-N 3.46Å; E456-E459 WeakPolarHBondContact O-CA 3.41Å; E456-E459 WeakPolarHBondContact O-CB 3.36Å; E456-E459 PolarHBondContact O-N 3.5Å; E456-E460 PolarHBondContact O-N 2.97Å; E456-V468 HydrophobicContact CG-CG1 4.12Å; E456-V468 HydrophobicContact CG-CG2 4.37Å
457	R	91.8	Very high	89.9	Confident	52 Å²	52	51.7 Å²	51.7	20%	0.196	27%	0.268	C	S	.	.	H	α-helix	trans	-64.7	-26.5	176.8	-140.6	-170.6	89.1	173.2	9.5	113.1	E428 A453 E461	E428-R457 VanDerWaalsContact CB-NH1 3.28Å; E428-R457 IonicContact OE2-CZ 2.66Å; E428-R457 IonicContact OE2-NH1 2.65Å; E428-R457 PolarHBondContact OE2-NH1 2.79Å; E428-R457 IonicContact OE2-NH2 3.73Å; E428-R457 PolarHBondContact OE2-NH2 3.31Å; A453-R457 WeakPolarHBondContact O-CB 3.27Å; A453-R457 PolarHBondContact O-N 2.86Å; R457-E461 IonicContact CZ-OE1 3.41Å; R457-E461 VanDerWaalsContact CZ-OE1 3.3Å; R457-E461 IonicContact NE-OE1 3Å; R457-E461 PolarHBondContact NE-OE1 3.08Å; R457-E461 VanDerWaalsContact NE-OE1 3.08Å; R457-E461 IonicContact NH2-OE1 3.3Å; R457-E461 PolarHBondContact NH2-OE1 2.79Å; R457-E461 VanDerWaalsContact O-CB 3.3Å; R457-E461 WeakPolarHBondContact O-CB 3.45Å; R457-E461 VanDerWaalsContact O-CG 3.31Å; R457-E461 WeakPolarHBondContact O-CG 3.22Å; R457-E461 PolarHBondContact O-N 3.47Å
458	L	90.7	Very high	89.7	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-71.1	-36.1	172.2	-178.2	70.2	0	0	0	112.2	L420 V421 L454 Y455 E456 R462	L420-L458 HydrophobicContact CB-CD1 3.92Å; L420-L458 HydrophobicContact CB-CD2 4.19Å; V421-L458 HydrophobicContact CG2-CD1 4.31Å; V421-L458 HydrophobicContact CG2-CD2 3.93Å; L454-L458 WeakPolarHBondContact O-CB 3.47Å; L454-L458 PolarHBondContact O-N 3.16Å; Y455-L458 HydrophobicContact CD1-CD2 3.99Å; Y455-L458 HydrophobicContact CE1-CD2 4.33Å; Y455-L458 PolarHBondContact O-N 3.04Å; E456-L458 PolarHBondContact O-N 3.46Å; L458-R462 HydrophobicContact CD1-CG 3.87Å; L458-R462 HydrophobicContact CG-CG 4.45Å; L458-R462 VanDerWaalsContact O-CB 3.26Å; L458-R462 WeakPolarHBondContact O-CB 3.27Å; L458-R462 WeakPolarHBondContact O-CG 3.32Å; L458-R462 PolarHBondContact O-N 2.92Å
459	E	89	Confident	89.7	Confident	58 Å²	58	53.6 Å²	53.6	27%	0.271	28%	0.28	S	S	.	.	H	α-helix	trans	-66.1	-46.1	173.2	177.1	149.3	-123.9	0	0	110.5	Y455 E456 G463 I464 L465 V466	Y455-E459 PolarHBondContact O-N 2.72Å; E456-E459 WeakPolarHBondContact O-CA 3.41Å; E456-E459 WeakPolarHBondContact O-CB 3.36Å; E456-E459 PolarHBondContact O-N 3.5Å; E459-G463 WeakPolarHBondContact O-CA 3.25Å; E459-G463 PolarHBondContact O-N 3.31Å; E459-I464 WeakPolarHBondContact CG-O 3.12Å; E459-L465 VanDerWaalsContact OE1-CA 3.26Å; E459-L465 WeakPolarHBondContact OE1-CA 3.35Å; E459-V466 HydrophobicContact CB-CB 4.29Å; E459-V466 HydrophobicContact CB-CG2 3.98Å; E459-V466 PolarHBondContact OE1-N 3.11Å
460	E	88.6	Confident	89.8	Confident	158 Å²	158	51.5 Å²	51.5	74%	0.738	27%	0.271	S	S	*	.	H	α-helix	trans	-59.5	-54.5	174.5	-67	-173.8	150.9	0	0	113.3	E456 R462	E456-E460 PolarHBondContact O-N 2.97Å; E460-R462 PolarHBondContact O-N 3.19Å
461	E	85.8	Confident	89.8	Confident	82 Å²	82	51.9 Å²	51.9	38%	0.383	27%	0.274	S	S	.	.	H	α-helix	trans	-60.1	-30.9	-177	-84.4	-178	-165	0	0	113.5	T425 R457	T425-E461 PolarHBondContact OG1-OE1 2.88Å; R457-E461 IonicContact CZ-OE1 3.41Å; R457-E461 VanDerWaalsContact CZ-OE1 3.3Å; R457-E461 IonicContact NE-OE1 3Å; R457-E461 PolarHBondContact NE-OE1 3.08Å; R457-E461 VanDerWaalsContact NE-OE1 3.08Å; R457-E461 IonicContact NH2-OE1 3.3Å; R457-E461 PolarHBondContact NH2-OE1 2.79Å; R457-E461 VanDerWaalsContact O-CB 3.3Å; R457-E461 WeakPolarHBondContact O-CB 3.45Å; R457-E461 VanDerWaalsContact O-CG 3.31Å; R457-E461 WeakPolarHBondContact O-CG 3.22Å; R457-E461 PolarHBondContact O-N 3.47Å
462	R	82.4	Confident	89.8	Confident	124 Å²	124	51.9 Å²	51.9	47%	0.468	27%	0.274	S	S	.	.	H	α-helix	trans	-107.2	-19.4	-169.3	-57	-59.4	-165.5	175	4	113.4	L420 L458 E460 I464	L420-R462 PolarHBondContact O-NH2 2.95Å; L458-R462 HydrophobicContact CD1-CG 3.87Å; L458-R462 HydrophobicContact CG-CG 4.45Å; L458-R462 VanDerWaalsContact O-CB 3.26Å; L458-R462 WeakPolarHBondContact O-CB 3.27Å; L458-R462 WeakPolarHBondContact O-CG 3.32Å; L458-R462 PolarHBondContact O-N 2.92Å; E460-R462 PolarHBondContact O-N 3.19Å; R462-I464 HydrophobicContact CB-CB 4.43Å; R462-I464 HydrophobicContact CB-CD1 3.84Å; R462-I464 HydrophobicContact CB-CG1 3.84Å; R462-I464 HydrophobicContact CB-CG2 4.05Å; R462-I464 HydrophobicContact CG-CD1 4.29Å; R462-I464 PolarHBondContact O-N 3.14Å
463	G	78.1	Confident	90	Very high	74 Å²	74	51.1 Å²	51.1	76%	0.763	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.9	33.9	-173	0	0	0	0	0	112.8	E459	E459-G463 WeakPolarHBondContact O-CA 3.25Å; E459-G463 PolarHBondContact O-N 3.31Å
464	I	83	Confident	90.1	Very high	60 Å²	60	50.7 Å²	50.7	31%	0.308	26%	0.264	S	S	.	.			trans	-113.2	137.1	180	68	-171.9	0	0	0	109.6	L420 E459 R462 V466	L420-I464 HydrophobicContact CD1-CD1 3.68Å; E459-I464 WeakPolarHBondContact CG-O 3.12Å; R462-I464 HydrophobicContact CB-CB 4.43Å; R462-I464 HydrophobicContact CB-CD1 3.84Å; R462-I464 HydrophobicContact CB-CG1 3.84Å; R462-I464 HydrophobicContact CB-CG2 4.05Å; R462-I464 HydrophobicContact CG-CD1 4.29Å; R462-I464 PolarHBondContact O-N 3.14Å; I464-V466 HydrophobicContact CD1-CG2 4.47Å; I464-V466 HydrophobicContact CG1-CG2 3.95Å; I464-V466 PolarHBondContact O-N 2.99Å; I464-V466 VanDerWaalsContact O-N 3.16Å
465	L	80.9	Confident	90.3	Very high	161 Å²	161	50.6 Å²	50.6	84%	0.843	26%	0.263	S	S	*	.			trans	-66.9	114.9	176.3	-168.1	70.9	0	0	0	110.4	E459	E459-L465 VanDerWaalsContact OE1-CA 3.26Å; E459-L465 WeakPolarHBondContact OE1-CA 3.35Å
466	V	85.6	Confident	90.4	Very high	10 Å²	10	50.6 Å²	50.6	6%	0.061	26%	0.263	C	S	.	.			trans	-108.1	132.2	175.9	-175	0	0	0	0	108.4	E459 I464 V468 C471	E459-V466 HydrophobicContact CB-CB 4.29Å; E459-V466 HydrophobicContact CB-CG2 3.98Å; E459-V466 PolarHBondContact OE1-N 3.11Å; I464-V466 HydrophobicContact CD1-CG2 4.47Å; I464-V466 HydrophobicContact CG1-CG2 3.95Å; I464-V466 PolarHBondContact O-N 2.99Å; I464-V466 VanDerWaalsContact O-N 3.16Å; V466-V468 HydrophobicContact CB-CG2 4.2Å; V466-V468 HydrophobicContact CG1-CG2 4.13Å; V466-V468 PolarHBondContact O-N 3.01Å; V466-C471 HydrophobicContact CG1-CB 4.31Å
467	N	89.6	Confident	90.7	Very high	86 Å²	86	46 Å²	46	46%	0.46	24%	0.242	S	C	.	.			trans	-79.6	84.8	163.9	-173.5	-47.4	0	0	0	107.2	L470 C471	N467-L470 HydrophobicContact CB-CB 4.12Å; N467-L470 PolarHBondContact O-N 3.04Å; N467-L470 WeakPolarHBondContact OD1-CB 3.3Å; N467-L470 PolarHBondContact OD1-N 3.18Å; N467-C471 PolarHBondContact O-N 3.05Å; N467-C471 PolarHBondContact O-SG 3.28Å
468	V	90.9	Very high	91	Very high	14 Å²	14	43.6 Å²	43.6	9%	0.085	23%	0.233	C	C	.	.	H	α-helix	trans	-54.1	-50.3	-176.6	173.8	0	0	0	0	111.5	T452 E456 V466 L470 C471 V472	T452-V468 HydrophobicContact CG2-CG1 4.29Å; E456-V468 HydrophobicContact CG-CG1 4.12Å; E456-V468 HydrophobicContact CG-CG2 4.37Å; V466-V468 HydrophobicContact CB-CG2 4.2Å; V466-V468 HydrophobicContact CG1-CG2 4.13Å; V466-V468 PolarHBondContact O-N 3.01Å; V468-L470 VanDerWaalsContact C-N 3.34Å; V468-L470 PolarHBondContact O-N 3.35Å; V468-C471 PolarHBondContact O-N 3.45Å; V468-C471 VanDerWaalsContact O-N 3.08Å; V468-V472 HydrophobicContact CG1-CG2 4.06Å; V468-V472 WeakPolarHBondContact O-CG2 3.36Å; V468-V472 PolarHBondContact O-N 2.76Å
469	P	93	Very high	91.3	Very high	29 Å²	29	43.7 Å²	43.7	19%	0.188	23%	0.233	C	C	.	.	H	α-helix	trans	-56.1	-44.6	178.9	-25.8	34.7	0	0	0	113.3	F349 L350 S352 D473	F349-P469 HydrophobicContact CD2-CB 4.44Å; F349-P469 HydrophobicContact CD2-CG 4.28Å; L350-P469 HydrophobicContact CD2-CB 4.2Å; L350-P469 WeakPolarHBondContact CD2-O 3.29Å; S352-P469 VanDerWaalsContact OG-CB 3.3Å; S352-P469 WeakPolarHBondContact OG-CB 3.34Å; S352-P469 WeakPolarHBondContact OG-CG 3.34Å; P469-D473 WeakPolarHBondContact O-CB 3.26Å; P469-D473 PolarHBondContact O-N 3.02Å
470	L	94.7	Very high	91.7	Very high	32 Å²	32	41.2 Å²	41.2	17%	0.168	22%	0.222	C	C	.	.	H	α-helix	trans	-66.8	-39.7	176.9	178.3	61.9	0	0	0	112.6	H382 K384 N467 V468 M474	H382-L470 VanDerWaalsContact CE1-CD1 3.41Å; H382-L470 WeakPolarHBondContact CE1-CD1 3.38Å; K384-L470 HydrophobicContact CD-CD1 3.95Å; K384-L470 HydrophobicContact CD-CD2 4.09Å; N467-L470 HydrophobicContact CB-CB 4.12Å; N467-L470 PolarHBondContact O-N 3.04Å; N467-L470 WeakPolarHBondContact OD1-CB 3.3Å; N467-L470 PolarHBondContact OD1-N 3.18Å; V468-L470 VanDerWaalsContact C-N 3.34Å; V468-L470 PolarHBondContact O-N 3.35Å; L470-M474 HydrophobicContact CD1-CG 3.57Å; L470-M474 HydrophobicContact CD1-SD 4.24Å; L470-M474 HydrophobicContact CG-CG 4.08Å; L470-M474 WeakPolarHBondContact O-CB 3.45Å; L470-M474 WeakPolarHBondContact O-CG 3.4Å; L470-M474 PolarHBondContact O-N 2.77Å
471	C	95.6	Very high	92.1	Very high	11 Å²	11	34.2 Å²	34.2	7%	0.074	19%	0.189	C	C	.	.	H	α-helix	trans	-68.9	-40.1	-179.2	-65.3	0	0	0	0	111.5	Y455 V466 N467 V468 S475	Y455-C471 HydrophobicContact CD1-CB 3.94Å; Y455-C471 HydrophobicContact CD2-CB 3.77Å; Y455-C471 HydrophobicContact CE1-CB 4.01Å; Y455-C471 VanDerWaalsContact CE2-C 3.5Å; Y455-C471 HydrophobicContact CE2-CB 3.82Å; Y455-C471 WeakPolarHBondContact CE2-O 3.32Å; Y455-C471 HydrophobicContact CG-CB 3.86Å; V466-C471 HydrophobicContact CG1-CB 4.31Å; N467-C471 PolarHBondContact O-N 3.05Å; N467-C471 PolarHBondContact O-SG 3.28Å; V468-C471 PolarHBondContact O-N 3.45Å; V468-C471 VanDerWaalsContact O-N 3.08Å; C471-S475 WeakPolarHBondContact O-CB 3.37Å; C471-S475 PolarHBondContact O-N 2.74Å; C471-S475 PolarHBondContact O-OG 3.21Å
472	V	96.8	Very high	92.7	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-59.8	-55.8	171.8	173.8	0	0	0	0	110.3	L350 I448 L451 Y455 V468 M474 S475 L476	L350-V472 HydrophobicContact CD1-CG1 4.08Å; L350-V472 HydrophobicContact CD2-CB 3.82Å; L350-V472 HydrophobicContact CD2-CG1 3.73Å; I448-V472 HydrophobicContact CG1-CG1 4.39Å; I448-V472 HydrophobicContact CG2-CG1 4.21Å; L451-V472 HydrophobicContact CB-CB 4.44Å; L451-V472 HydrophobicContact CB-CG1 3.99Å; L451-V472 HydrophobicContact CB-CG2 4.19Å; L451-V472 HydrophobicContact CD1-CG1 4.47Å; Y455-V472 HydrophobicContact CD2-CG2 3.85Å; V468-V472 HydrophobicContact CG1-CG2 4.06Å; V468-V472 WeakPolarHBondContact O-CG2 3.36Å; V468-V472 PolarHBondContact O-N 2.76Å; V472-M474 PolarHBondContact O-N 3.1Å; V472-S475 PolarHBondContact O-N 2.93Å; V472-S475 VanDerWaalsContact O-N 3.12Å; V472-L476 WeakPolarHBondContact O-CB 3.15Å; V472-L476 PolarHBondContact O-N 3Å
473	D	97	Very high	93.3	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-67.1	-38.7	-172.1	-145.4	23.6	0	0	0	112.4	L350 S353 R360 Y370 H382 P469 N477	L350-D473 HydrophobicContact CD2-CB 4.33Å; S353-D473 WeakPolarHBondContact CB-OD2 3.44Å; S353-D473 PolarHBondContact OG-OD2 3.02Å; R360-D473 VanDerWaalsContact CD-OD2 3.27Å; R360-D473 WeakPolarHBondContact CD-OD2 3.4Å; R360-D473 IonicContact CZ-OD1 2.7Å; R360-D473 VanDerWaalsContact CZ-OD1 3.24Å; R360-D473 IonicContact CZ-OD2 2.77Å; R360-D473 IonicContact NE-OD1 2.97Å; R360-D473 PolarHBondContact NE-OD1 3.35Å; R360-D473 IonicContact NE-OD2 2.68Å; R360-D473 PolarHBondContact NE-OD2 2.85Å; R360-D473 IonicContact NH2-OD1 3.92Å; R360-D473 PolarHBondContact NH2-OD1 3.42Å; Y370-D473 PolarHBondContact OH-OD1 3.4Å; Y370-D473 PolarHBondContact OH-OD2 3.43Å; Y370-D473 VanDerWaalsContact OH-OD2 3.08Å; H382-D473 IonicContact CD2-OD2 2.66Å; P469-D473 WeakPolarHBondContact O-CB 3.26Å; P469-D473 PolarHBondContact O-N 3.02Å; D473-N477 WeakPolarHBondContact O-CB 3.43Å; D473-N477 PolarHBondContact O-N 3.35Å
474	M	97.6	Very high	94.2	Very high	11 Å²	11	23.1 Å²	23.1	5%	0.054	12%	0.123	C	C	.	.	H	α-helix	trans	-64.2	-40.1	172.3	-69.2	-85.1	-67.5	0	0	112.1	H382 K384 M385 L416 L470 V472 N477 W478	H382-M474 HydrophobicContact CB-SD 4.45Å; H382-M474 PolarHBondContact ND1-SD 3.29Å; K384-M474 HydrophobicContact CB-CE 4.04Å; K384-M474 HydrophobicContact CB-SD 3.67Å; M385-M474 HydrophobicContact CB-SD 4.49Å; M385-M474 HydrophobicContact CG-CE 3.98Å; M385-M474 HydrophobicContact CG-SD 3.63Å; M385-M474 HydrophobicContact SD-CE 3.57Å; M385-M474 VanDerWaalsContact SD-CE 3.57Å; M385-M474 HydrophobicContact SD-SD 4Å; L416-M474 HydrophobicContact CD2-CB 3.64Å; L416-M474 WeakPolarHBondContact CD2-O 3.5Å; L470-M474 HydrophobicContact CD1-CG 3.57Å; L470-M474 HydrophobicContact CD1-SD 4.24Å; L470-M474 HydrophobicContact CG-CG 4.08Å; L470-M474 WeakPolarHBondContact O-CB 3.45Å; L470-M474 WeakPolarHBondContact O-CG 3.4Å; L470-M474 PolarHBondContact O-N 2.77Å; V472-M474 PolarHBondContact O-N 3.1Å; M474-N477 PolarHBondContact O-N 2.86Å; M474-W478 PolarHBondContact O-N 3.11Å
475	S	97.9	Very high	94.6	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-71.6	-43.1	-179.4	-60.1	0	0	0	0	111.6	Y455 C471 V472 N477 W478 L479	Y455-S475 WeakPolarHBondContact CE2-OG 3.36Å; Y455-S475 PolarHBondContact OH-OG 3.18Å; C471-S475 WeakPolarHBondContact O-CB 3.37Å; C471-S475 PolarHBondContact O-N 2.74Å; C471-S475 PolarHBondContact O-OG 3.21Å; V472-S475 PolarHBondContact O-N 2.93Å; V472-S475 VanDerWaalsContact O-N 3.12Å; S475-N477 VanDerWaalsContact C-N 3.32Å; S475-N477 PolarHBondContact O-N 3.15Å; S475-W478 PolarHBondContact O-N 2.9Å; S475-L479 WeakPolarHBondContact O-CB 3.39Å; S475-L479 WeakPolarHBondContact O-CD1 3.36Å; S475-L479 VanDerWaalsContact O-CG 3.26Å; S475-L479 WeakPolarHBondContact O-CG 3.45Å; S475-L479 PolarHBondContact O-N 3.16Å
476	L	97.6	Very high	95.2	Very high	1 Å²	1	19.3 Å²	19.3	1%	0.005	13%	0.126	C	C	.	.	H	α-helix	trans	-56.3	-48	170.6	175.9	68	0	0	0	110.4	P368 V444 V447 I448 L451 V472 W478 L479 L480	P368-L476 HydrophobicContact CG-CD2 3.84Å; V444-L476 HydrophobicContact CG1-CD1 4.15Å; V444-L476 HydrophobicContact CG1-CD2 4.06Å; V447-L476 HydrophobicContact CB-CD1 4.26Å; V447-L476 HydrophobicContact CG1-CD1 3.66Å; I448-L476 HydrophobicContact CD1-CD2 3.79Å; I448-L476 HydrophobicContact CG1-CD1 4.47Å; I448-L476 HydrophobicContact CG1-CD2 3.7Å; L451-L476 HydrophobicContact CD1-CB 3.95Å; V472-L476 WeakPolarHBondContact O-CB 3.15Å; V472-L476 PolarHBondContact O-N 3Å; L476-W478 VanDerWaalsContact C-N 3.32Å; L476-W478 PolarHBondContact O-N 2.93Å; L476-L479 PolarHBondContact O-N 3.06Å; L476-L480 HydrophobicContact CD1-CD1 3.89Å; L476-L480 HydrophobicContact CD1-CG 4Å; L476-L480 HydrophobicContact CD2-CD1 4.46Å; L476-L480 HydrophobicContact CG-CD1 3.81Å; L476-L480 HydrophobicContact CG-CG 4.3Å; L476-L480 WeakPolarHBondContact O-CB 3.39Å; L476-L480 VanDerWaalsContact O-CG 3.31Å; L476-L480 WeakPolarHBondContact O-CG 3.39Å; L476-L480 PolarHBondContact O-N 3.26Å
477	N	97.5	Very high	95.6	Very high	2 Å²	2	20 Å²	20	1%	0.011	13%	0.127	C	C	.	.	H	α-helix	trans	-63.5	-36.3	179.9	-164.3	-112.5	0	0	0	112.8	W380 D381 H382 M385 D473 M474 S475 N481	W380-N477 PolarHBondContact O-ND2 3.12Å; D381-N477 WeakPolarHBondContact CA-OD1 3.33Å; H382-N477 HydrophobicContact CB-CB 4.36Å; H382-N477 PolarHBondContact N-OD1 3.45Å; H382-N477 VanDerWaalsContact N-OD1 3.1Å; M385-N477 WeakPolarHBondContact CB-OD1 3.48Å; M385-N477 HydrophobicContact CG-CB 4.18Å; M385-N477 WeakPolarHBondContact CG-OD1 3.36Å; D473-N477 WeakPolarHBondContact O-CB 3.43Å; D473-N477 PolarHBondContact O-N 3.35Å; M474-N477 PolarHBondContact O-N 2.86Å; S475-N477 VanDerWaalsContact C-N 3.32Å; S475-N477 PolarHBondContact O-N 3.15Å; N477-N481 VanDerWaalsContact O-CB 3.22Å; N477-N481 WeakPolarHBondContact O-CB 3.42Å; N477-N481 PolarHBondContact O-N 3.24Å; N477-N481 VanDerWaalsContact O-N 3.09Å; N477-N481 PolarHBondContact O-ND2 2.75Å
478	W	98.1	Very high	95.8	Very high	2 Å²	2	19 Å²	19	1%	0.008	13%	0.127	C	C	.	.	H	α-helix	trans	-66.8	-46.4	170.5	171.9	-104	0	0	0	112.7	M385 Y389 L409 V412 L416 M474 S475 L476 N481 V482 L503 V541 Q544 L545	M385-W478 HydrophobicContact CE-CB 3.88Å; M385-W478 HydrophobicContact CE-CE3 3.96Å; Y389-W478 HydrophobicContact CE1-CZ3 4.23Å; L409-W478 HydrophobicContact CD2-CH2 4.22Å; L409-W478 HydrophobicContact CD2-CZ2 4.1Å; V412-W478 HydrophobicContact CG1-CD2 3.76Å; V412-W478 HydrophobicContact CG1-CE3 3.9Å; V412-W478 HydrophobicContact CG1-CG 4.29Å; V412-W478 HydrophobicContact CG1-CH2 4.27Å; V412-W478 HydrophobicContact CG1-CZ2 4.15Å; V412-W478 HydrophobicContact CG1-CZ3 4.15Å; V412-W478 HydrophobicContact CG2-CH2 4.4Å; V412-W478 HydrophobicContact CG2-CZ3 4.19Å; L416-W478 HydrophobicContact CD1-CB 3.76Å; L416-W478 HydrophobicContact CD1-CD2 4.48Å; L416-W478 HydrophobicContact CD1-CG 3.68Å; L416-W478 HydrophobicContact CD2-CB 4.48Å; M474-W478 PolarHBondContact O-N 3.11Å; S475-W478 PolarHBondContact O-N 2.9Å; L476-W478 VanDerWaalsContact C-N 3.32Å; L476-W478 PolarHBondContact O-N 2.93Å; W478-N481 WeakPolarHBondContact O-CB 3.41Å; W478-N481 PolarHBondContact O-N 3.17Å; W478-V482 HydrophobicContact CD2-CG2 4.02Å; W478-V482 HydrophobicContact CE3-CG2 4.38Å; W478-V482 HydrophobicContact CH2-CG2 4.07Å; W478-V482 HydrophobicContact CZ2-CG2 3.66Å; W478-V482 HydrophobicContact CZ3-CG2 4.41Å; W478-V482 WeakPolarHBondContact O-CG2 3.32Å; W478-V482 PolarHBondContact O-N 3.45Å; W478-L503 HydrophobicContact CZ2-CD1 4.49Å; W478-V541 HydrophobicContact CZ2-CG1 4.44Å; W478-Q544 HydrophobicContact CH2-CG 4.35Å; W478-Q544 HydrophobicContact CZ3-CG 4Å; W478-L545 HydrophobicContact CH2-CD2 4.03Å; W478-L545 HydrophobicContact CH2-CG 4.22Å; W478-L545 HydrophobicContact CZ3-CD2 4.15Å
479	L	98.1	Very high	95.8	Very high	3 Å²	3	18.6 Å²	18.6	2%	0.016	13%	0.126	C	C	.	.	H	α-helix	trans	-65.7	-44	-178.6	-71.7	161.5	0	0	0	111.9	V447 L451 S475 L476 N481 V482 F483 M491 F496 I500	V447-L479 HydrophobicContact CG1-CD1 4.48Å; L451-L479 HydrophobicContact CD1-CD1 4.15Å; L451-L479 HydrophobicContact CD2-CD1 4.17Å; S475-L479 WeakPolarHBondContact O-CB 3.39Å; S475-L479 WeakPolarHBondContact O-CD1 3.36Å; S475-L479 VanDerWaalsContact O-CG 3.26Å; S475-L479 WeakPolarHBondContact O-CG 3.45Å; S475-L479 PolarHBondContact O-N 3.16Å; L476-L479 PolarHBondContact O-N 3.06Å; L479-N481 VanDerWaalsContact C-N 3.31Å; L479-N481 PolarHBondContact O-N 2.98Å; L479-V482 PolarHBondContact O-N 2.83Å; L479-F483 HydrophobicContact CD2-CD2 4.25Å; L479-F483 HydrophobicContact CD2-CE2 4.1Å; L479-F483 WeakPolarHBondContact O-CD2 3.5Å; L479-F483 PolarHBondContact O-N 2.67Å; L479-M491 HydrophobicContact CB-CE 3.9Å; L479-M491 HydrophobicContact CB-SD 4.2Å; L479-F496 HydrophobicContact CD1-CD2 3.81Å; L479-F496 HydrophobicContact CD1-CE2 3.81Å; L479-I500 HydrophobicContact CD1-CD1 4.28Å
480	L	97.3	Very high	95.8	Very high	5 Å²	5	23.8 Å²	23.8	3%	0.026	15%	0.145	C	C	.	.	H	α-helix	trans	-61.6	-38.9	172.3	-68.4	172.7	0	0	0	111.1	V367 P368 L476 D484 S485 R487 M491	V367-L480 HydrophobicContact CG1-CD1 4.16Å; P368-L480 HydrophobicContact CG-CD1 4.44Å; L476-L480 HydrophobicContact CD1-CD1 3.89Å; L476-L480 HydrophobicContact CD1-CG 4Å; L476-L480 HydrophobicContact CD2-CD1 4.46Å; L476-L480 HydrophobicContact CG-CD1 3.81Å; L476-L480 HydrophobicContact CG-CG 4.3Å; L476-L480 WeakPolarHBondContact O-CB 3.39Å; L476-L480 VanDerWaalsContact O-CG 3.31Å; L476-L480 WeakPolarHBondContact O-CG 3.39Å; L476-L480 PolarHBondContact O-N 3.26Å; L480-D484 HydrophobicContact CD2-CB 3.86Å; L480-D484 CarbonylContact O-C 3.53Å; L480-D484 VanDerWaalsContact O-CA 3.31Å; L480-D484 WeakPolarHBondContact O-CA 3.36Å; L480-D484 PolarHBondContact O-N 3.12Å; L480-D484 VanDerWaalsContact O-O 3.07Å; L480-S485 PolarHBondContact O-N 3.25Å; L480-R487 VanDerWaalsContact C-NH1 3.33Å; L480-R487 PolarHBondContact O-NH1 2.88Å; L480-M491 HydrophobicContact CD2-CE 3.86Å; L480-M491 HydrophobicContact CG-CE 4.33Å
481	N	97.1	Very high	95.8	Very high	11 Å²	11	22.6 Å²	22.6	6%	0.059	14%	0.139	C	C	.	.	H	α-helix	trans	-61	-44.1	173.6	-94.2	-37.9	0	0	0	113.3	D381 Y389 N477 W478 L479 R487 Q544	D381-N481 PolarHBondContact OD1-ND2 3.43Å; Y389-N481 PolarHBondContact OH-ND2 2.65Å; N477-N481 VanDerWaalsContact O-CB 3.22Å; N477-N481 WeakPolarHBondContact O-CB 3.42Å; N477-N481 PolarHBondContact O-N 3.24Å; N477-N481 VanDerWaalsContact O-N 3.09Å; N477-N481 PolarHBondContact O-ND2 2.75Å; W478-N481 WeakPolarHBondContact O-CB 3.41Å; W478-N481 PolarHBondContact O-N 3.17Å; L479-N481 VanDerWaalsContact C-N 3.31Å; L479-N481 PolarHBondContact O-N 2.98Å; N481-R487 PolarHBondContact OD1-NH2 3.02Å; N481-Q544 HydrophobicContact CB-CG 4.12Å; N481-Q544 PolarHBondContact O-OE1 3.09Å
482	V	97.1	Very high	95.7	Very high	4 Å²	4	27.4 Å²	27.4	2%	0.024	16%	0.156	C	C	.	.	H	α-helix	trans	-74.9	-39.6	-178.8	178.5	0	0	0	0	112.5	W478 L479 Q540 V541 Q544	W478-V482 HydrophobicContact CD2-CG2 4.02Å; W478-V482 HydrophobicContact CE3-CG2 4.38Å; W478-V482 HydrophobicContact CH2-CG2 4.07Å; W478-V482 HydrophobicContact CZ2-CG2 3.66Å; W478-V482 HydrophobicContact CZ3-CG2 4.41Å; W478-V482 WeakPolarHBondContact O-CG2 3.32Å; W478-V482 PolarHBondContact O-N 3.45Å; L479-V482 PolarHBondContact O-N 2.83Å; V482-Q540 HydrophobicContact CG1-CB 3.53Å; V482-V541 HydrophobicContact CG1-CG2 4.11Å; V482-Q544 HydrophobicContact CG2-CB 3.87Å; V482-Q544 HydrophobicContact CG2-CG 3.95Å
483	F	96.8	Very high	95.7	Very high	36 Å²	36	27.4 Å²	27.4	16%	0.158	16%	0.156	C	C	.	.	H	α-helix	trans	-120.4	-19.5	-165.8	-58.3	-71.6	0	0	0	115.9	L479 M491 S495 E537 Q540	L479-F483 HydrophobicContact CD2-CD2 4.25Å; L479-F483 HydrophobicContact CD2-CE2 4.1Å; L479-F483 WeakPolarHBondContact O-CD2 3.5Å; L479-F483 PolarHBondContact O-N 2.67Å; F483-M491 HydrophobicContact CB-CE 4.35Å; F483-M491 HydrophobicContact CB-CG 4.22Å; F483-M491 HydrophobicContact CB-SD 4.25Å; F483-M491 HydrophobicContact CD2-SD 4.4Å; F483-S495 VanDerWaalsContact CE2-O 3.28Å; F483-S495 WeakPolarHBondContact CE2-O 3.18Å; F483-S495 WeakPolarHBondContact CZ-O 3.45Å; F483-E537 WeakPolarHBondContact CD1-OE2 3.5Å; F483-E537 VanDerWaalsContact CE1-OE2 3.32Å; F483-E537 WeakPolarHBondContact CE1-OE2 3.49Å; F483-Q540 HydrophobicContact CD1-CB 4.32Å; F483-Q540 HydrophobicContact CD1-CG 4.25Å; F483-Q540 HydrophobicContact CE1-CB 4.12Å; F483-Q540 HydrophobicContact CE1-CG 4.24Å
484	D	95.9	Very high	95.6	Very high	7 Å²	7	27.9 Å²	27.9	4%	0.037	16%	0.158	C	C	.	.			trans	-127.1	57.1	174.9	-176.7	28.9	0	0	0	110.8	L480 G486 R487 S488 G489	L480-D484 HydrophobicContact CD2-CB 3.86Å; L480-D484 CarbonylContact O-C 3.53Å; L480-D484 VanDerWaalsContact O-CA 3.31Å; L480-D484 WeakPolarHBondContact O-CA 3.36Å; L480-D484 PolarHBondContact O-N 3.12Å; L480-D484 VanDerWaalsContact O-O 3.07Å; D484-G486 PolarHBondContact O-N 2.85Å; D484-G486 VanDerWaalsContact O-N 3.13Å; D484-R487 PolarHBondContact O-N 3.4Å; D484-R487 PolarHBondContact O-NH1 3.37Å; D484-R487 PolarHBondContact OD1-N 3.09Å; D484-R487 WeakPolarHBondContact OD2-CA 3.42Å; D484-S488 VanDerWaalsContact CG-N 3.34Å; D484-S488 VanDerWaalsContact CG-OG 3.26Å; D484-S488 WeakPolarHBondContact OD1-CB 3.09Å; D484-S488 PolarHBondContact OD1-N 3.43Å; D484-S488 PolarHBondContact OD1-OG 2.89Å; D484-S488 PolarHBondContact OD2-N 3.45Å; D484-S488 PolarHBondContact OD2-OG 3.5Å; D484-G489 PolarHBondContact OD2-N 3.1Å
485	S	92.4	Very high	95.5	Very high	75 Å²	75	27.7 Å²	27.7	52%	0.524	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-19	178.6	61.4	0	0	0	0	113.1	L480	L480-S485 PolarHBondContact O-N 3.25Å
486	G	92.4	Very high	95.4	Very high	66 Å²	66	27.7 Å²	27.7	68%	0.68	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85	-6.5	174.9	0	0	0	0	0	115.1	D484 S488	D484-G486 PolarHBondContact O-N 2.85Å; D484-G486 VanDerWaalsContact O-N 3.13Å; G486-S488 VanDerWaalsContact C-N 3.27Å; G486-S488 PolarHBondContact O-N 3Å
487	R	94.8	Very high	95.3	Very high	25 Å²	25	27.8 Å²	27.8	9%	0.094	16%	0.158	C	C	.	.			trans	55.4	41.8	-177.6	-51.6	-60.3	-174.9	-118.7	5.1	112.7	N365 V367 W380 L480 N481 D484 G489	N365-R487 PolarHBondContact ND2-O 3.44Å; V367-R487 HydrophobicContact CG1-CB 4.27Å; W380-R487 HydrophobicContact CD2-CG 3.81Å; W380-R487 HydrophobicContact CE3-CG 4.03Å; W380-R487 HydrophobicContact CG-CG 4.25Å; W380-R487 HydrophobicContact CH2-CB 4.23Å; W380-R487 HydrophobicContact CH2-CG 4.38Å; W380-R487 HydrophobicContact CZ2-CB 4.28Å; W380-R487 HydrophobicContact CZ2-CG 4.17Å; W380-R487 HydrophobicContact CZ3-CB 4.38Å; W380-R487 HydrophobicContact CZ3-CG 4.31Å; L480-R487 VanDerWaalsContact C-NH1 3.33Å; L480-R487 PolarHBondContact O-NH1 2.88Å; N481-R487 PolarHBondContact OD1-NH2 3.02Å; D484-R487 PolarHBondContact O-N 3.4Å; D484-R487 PolarHBondContact O-NH1 3.37Å; D484-R487 PolarHBondContact OD1-N 3.09Å; D484-R487 WeakPolarHBondContact OD2-CA 3.42Å; R487-G489 PolarHBondContact O-N 3.31Å
488	S	93.4	Very high	95.3	Very high	65 Å²	65	27.8 Å²	27.8	46%	0.455	16%	0.158	S	C	.	.			trans	-69.6	-21.1	174.6	66.3	0	0	0	0	113.3	D484 G486 K490	D484-S488 VanDerWaalsContact CG-N 3.34Å; D484-S488 VanDerWaalsContact CG-OG 3.26Å; D484-S488 WeakPolarHBondContact OD1-CB 3.09Å; D484-S488 PolarHBondContact OD1-N 3.43Å; D484-S488 PolarHBondContact OD1-OG 2.89Å; D484-S488 PolarHBondContact OD2-N 3.45Å; D484-S488 PolarHBondContact OD2-OG 3.5Å; G486-S488 VanDerWaalsContact C-N 3.27Å; G486-S488 PolarHBondContact O-N 3Å; S488-K490 VanDerWaalsContact C-N 3.31Å; S488-K490 PolarHBondContact OG-N 3.22Å; S488-K490 PolarHBondContact OG-O 3.06Å
489	G	91	Very high	95.1	Very high	6 Å²	6	27.8 Å²	27.8	6%	0.062	16%	0.159	C	C	.	.	S	Bend	trans	77.5	16.7	-175.6	0	0	0	0	0	113.9	V367 V444 D484 R487	V367-G489 VanDerWaalsContact CG2-CA 3.42Å; V444-G489 PolarHBondContact N-O 3.02Å; D484-G489 PolarHBondContact OD2-N 3.1Å; R487-G489 PolarHBondContact O-N 3.31Å
490	K	93.2	Very high	95.1	Very high	137 Å²	137	27.7 Å²	27.7	60%	0.596	16%	0.158	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-132.2	139.3	-178.3	-69.1	-177.1	178.1	-178.2	0	110.9	V441 M442 S488	V441-K490 HydrophobicContact CG1-CB 3.77Å; V441-K490 HydrophobicContact CG1-CD 4.19Å; V441-K490 HydrophobicContact CG1-CG 4.18Å; M442-K490 WeakPolarHBondContact O-CA 3.47Å; S488-K490 VanDerWaalsContact C-N 3.31Å; S488-K490 PolarHBondContact OG-N 3.22Å; S488-K490 PolarHBondContact OG-O 3.06Å
491	M	94.4	Very high	95	Very high	8 Å²	8	27.5 Å²	27.5	4%	0.039	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	138.5	-179.3	-167.6	176.1	-57.5	0	0	110.3	V441 M442 L479 L480 F483 F496	V441-M491 CarbonylContact C-O 3.58Å; M442-M491 PolarHBondContact N-O 3.33Å; M442-M491 PolarHBondContact O-N 3.47Å; L479-M491 HydrophobicContact CB-CE 3.9Å; L479-M491 HydrophobicContact CB-SD 4.2Å; L480-M491 HydrophobicContact CD2-CE 3.86Å; L480-M491 HydrophobicContact CG-CE 4.33Å; F483-M491 HydrophobicContact CB-CE 4.35Å; F483-M491 HydrophobicContact CB-CG 4.22Å; F483-M491 HydrophobicContact CB-SD 4.25Å; F483-M491 HydrophobicContact CD2-SD 4.4Å; M491-F496 HydrophobicContact SD-CB 4.17Å
492	R	94.6	Very high	94.9	Very high	112 Å²	112	27 Å²	27	42%	0.423	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	141.7	174.3	-63.1	-172.2	-72.8	-143	0.9	110.3	L494 S495 F496 E537	R492-L494 PolarHBondContact O-N 3.21Å; R492-S495 WeakPolarHBondContact O-CA 3.38Å; R492-S495 WeakPolarHBondContact O-CB 3.34Å; R492-S495 PolarHBondContact O-N 3Å; R492-F496 PolarHBondContact O-N 2.87Å; R492-E537 IonicContact CZ-OE1 3.74Å; R492-E537 IonicContact NE-OE1 3.37Å; R492-E537 IonicContact NH2-OE1 3.51Å; R492-E537 PolarHBondContact NH2-OE1 3.01Å
493	A	94.9	Very high	94.9	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-54.1	-39.5	171.7	0	0	0	0	0	111.3	H440 M442 S495 F496 K497	H440-A493 HydrophobicContact CB-CB 4.3Å; H440-A493 WeakPolarHBondContact O-CB 3.31Å; H440-A493 PolarHBondContact O-N 2.98Å; M442-A493 HydrophobicContact SD-CB 4.31Å; A493-S495 VanDerWaalsContact C-N 3.34Å; A493-S495 PolarHBondContact O-N 3.36Å; A493-F496 PolarHBondContact O-N 2.85Å; A493-K497 VanDerWaalsContact O-CB 3.28Å; A493-K497 WeakPolarHBondContact O-CB 3.5Å; A493-K497 WeakPolarHBondContact O-CD 3.34Å; A493-K497 WeakPolarHBondContact O-CG 3.45Å; A493-K497 PolarHBondContact O-N 3.2Å
494	L	95	Very high	94.8	Very high	10 Å²	10	25.1 Å²	25.1	5%	0.052	15%	0.146	C	C	.	.	H	α-helix	trans	-58.4	-41.1	172.9	-175.5	63	0	0	0	113.3	S438 R492 T498 Q518 V519 V533 E537	S438-L494 WeakPolarHBondContact O-CB 3.47Å; S438-L494 PolarHBondContact O-N 3.22Å; R492-L494 PolarHBondContact O-N 3.21Å; L494-T498 VanDerWaalsContact O-CB 3.25Å; L494-T498 WeakPolarHBondContact O-CB 3.2Å; L494-T498 PolarHBondContact O-N 3.14Å; L494-T498 PolarHBondContact O-OG1 2.92Å; L494-Q518 HydrophobicContact CD1-CB 3.59Å; L494-V519 HydrophobicContact CD1-CG1 4.09Å; L494-V519 HydrophobicContact CD2-CG1 3.94Å; L494-V533 HydrophobicContact CD2-CG1 3.52Å; L494-E537 HydrophobicContact CD2-CG 4.2Å; L494-E537 HydrophobicContact CG-CG 4.23Å
495	S	96.1	Very high	94.7	Very high	6 Å²	6	27 Å²	27	4%	0.042	17%	0.167	C	C	.	.	H	α-helix	trans	-67.5	-47.4	178.6	-58.3	0	0	0	0	111.2	F483 R492 A493 T498 G499 E537	F483-S495 VanDerWaalsContact CE2-O 3.28Å; F483-S495 WeakPolarHBondContact CE2-O 3.18Å; F483-S495 WeakPolarHBondContact CZ-O 3.45Å; R492-S495 WeakPolarHBondContact O-CA 3.38Å; R492-S495 WeakPolarHBondContact O-CB 3.34Å; R492-S495 PolarHBondContact O-N 3Å; A493-S495 VanDerWaalsContact C-N 3.34Å; A493-S495 PolarHBondContact O-N 3.36Å; S495-T498 PolarHBondContact O-N 3Å; S495-G499 PolarHBondContact O-N 3.47Å; S495-E537 VanDerWaalsContact CA-OE2 3.31Å; S495-E537 WeakPolarHBondContact CA-OE2 3.24Å; S495-E537 WeakPolarHBondContact CB-OE2 3.49Å; S495-E537 VanDerWaalsContact OG-CD 3.31Å; S495-E537 PolarHBondContact OG-OE2 3.43Å
496	F	96.6	Very high	94.7	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-56.2	-54.8	174.3	176.8	-117.6	0	0	0	111.6	F430 L435 M442 V447 C450 L451 L479 M491 R492 A493 T498 G499 I500	F430-F496 HydrophobicContact CD1-CE1 4.09Å; F430-F496 HydrophobicContact CE1-CD1 4.1Å; F430-F496 AromaticContact CE1-CE1 3.56Å; F430-F496 HydrophobicContact CE1-CE1 3.56Å; F430-F496 HydrophobicContact CE1-CZ 4.3Å; L435-F496 HydrophobicContact CD1-CD1 4.03Å; L435-F496 HydrophobicContact CD1-CE1 4.01Å; M442-F496 HydrophobicContact CE-CD1 3.9Å; M442-F496 HydrophobicContact CE-CE1 4.12Å; M442-F496 HydrophobicContact CE-CG 4.35Å; M442-F496 HydrophobicContact SD-CB 3.97Å; M442-F496 HydrophobicContact SD-CD1 3.77Å; M442-F496 HydrophobicContact SD-CG 4.02Å; V447-F496 HydrophobicContact CG1-CD2 4.05Å; V447-F496 HydrophobicContact CG1-CE2 3.94Å; V447-F496 HydrophobicContact CG2-CD2 4.44Å; C450-F496 HydrophobicContact CB-CE1 3.67Å; C450-F496 HydrophobicContact CB-CZ 3.55Å; L451-F496 HydrophobicContact CD2-CE2 4.1Å; L451-F496 HydrophobicContact CD2-CZ 4.47Å; L451-F496 HydrophobicContact CG-CE2 4.08Å; L451-F496 HydrophobicContact CG-CZ 4.41Å; L479-F496 HydrophobicContact CD1-CD2 3.81Å; L479-F496 HydrophobicContact CD1-CE2 3.81Å; M491-F496 HydrophobicContact SD-CB 4.17Å; R492-F496 PolarHBondContact O-N 2.87Å; A493-F496 PolarHBondContact O-N 2.85Å; F496-T498 VanDerWaalsContact C-N 3.3Å; F496-T498 PolarHBondContact O-N 2.88Å; F496-G499 PolarHBondContact O-N 2.95Å; F496-I500 HydrophobicContact CD2-CG1 4.42Å; F496-I500 HydrophobicContact CE2-CD1 4.36Å; F496-I500 HydrophobicContact CE2-CG1 4.07Å; F496-I500 HydrophobicContact CZ-CG1 4.28Å; F496-I500 PolarHBondContact O-N 3.39Å; F496-I500 VanDerWaalsContact O-N 3.11Å
497	K	95.8	Very high	94.7	Very high	4 Å²	4	26.8 Å²	26.8	2%	0.017	14%	0.141	C	C	.	.	H	α-helix	trans	-52.9	-44.3	174.4	-72.7	168.7	172.7	-173.9	0	112.4	F430 L435 Q436 A493 A501 Y514 Q518	F430-K497 HydrophobicContact CD2-CG 4.07Å; F430-K497 HydrophobicContact CE2-CB 4.33Å; F430-K497 HydrophobicContact CE2-CG 3.89Å; F430-K497 HydrophobicContact CZ-CG 4.2Å; L435-K497 WeakPolarHBondContact O-CE 3.21Å; L435-K497 PolarHBondContact O-NZ 3.18Å; Q436-K497 PolarHBondContact O-NZ 3.47Å; A493-K497 VanDerWaalsContact O-CB 3.28Å; A493-K497 WeakPolarHBondContact O-CB 3.5Å; A493-K497 WeakPolarHBondContact O-CD 3.34Å; A493-K497 WeakPolarHBondContact O-CG 3.45Å; A493-K497 PolarHBondContact O-N 3.2Å; K497-A501 WeakPolarHBondContact O-CB 3.37Å; K497-A501 PolarHBondContact O-N 3.47Å; K497-Y514 HydrophobicContact CB-CE1 4.47Å; K497-Y514 WeakPolarHBondContact CD-OH 3.39Å; K497-Y514 WeakPolarHBondContact CG-OH 3.04Å; K497-Q518 HydrophobicContact CD-CG 4.37Å
498	T	95.8	Very high	94.5	Very high	1 Å²	1	27 Å²	27	1%	0.006	15%	0.145	C	C	.	.	H	α-helix	trans	-66.9	-42.5	-178.5	-61.5	0	0	0	0	111.8	L494 S495 F496 C502 L515 E537	L494-T498 VanDerWaalsContact O-CB 3.25Å; L494-T498 WeakPolarHBondContact O-CB 3.2Å; L494-T498 PolarHBondContact O-N 3.14Å; L494-T498 PolarHBondContact O-OG1 2.92Å; S495-T498 PolarHBondContact O-N 3Å; F496-T498 VanDerWaalsContact C-N 3.3Å; F496-T498 PolarHBondContact O-N 2.88Å; T498-C502 VanDerWaalsContact O-CB 3.29Å; T498-C502 WeakPolarHBondContact O-CB 3.42Å; T498-C502 PolarHBondContact O-N 3.44Å; T498-C502 PolarHBondContact O-SG 2.97Å; T498-L515 HydrophobicContact CG2-CD2 3.89Å; T498-E537 HydrophobicContact CG2-CB 3.85Å
499	G	95.8	Very high	94.4	Very high	2 Å²	2	29.4 Å²	29.4	2%	0.021	15%	0.148	C	C	.	.	H	α-helix	trans	-58.3	-50.1	175	0	0	0	0	0	112.8	S495 F496 L503	S495-G499 PolarHBondContact O-N 3.47Å; F496-G499 PolarHBondContact O-N 2.95Å; G499-L503 PolarHBondContact O-N 2.96Å
500	I	96.8	Very high	94.5	Very high	1 Å²	1	34 Å²	34	1%	0.005	17%	0.168	C	C	.	.	H	α-helix	trans	-65.7	-49.1	178.4	-59.9	-60.8	0	0	0	111.2	L418 A426 F430 L451 L454 L479 F496 C502 L503 C504	L418-I500 HydrophobicContact CD1-CD1 4.39Å; L418-I500 HydrophobicContact CD2-CD1 3.97Å; A426-I500 HydrophobicContact CB-CG2 3.98Å; F430-I500 HydrophobicContact CZ-CB 4.16Å; F430-I500 HydrophobicContact CZ-CG1 4.49Å; F430-I500 HydrophobicContact CZ-CG2 4.14Å; L451-I500 HydrophobicContact CD2-CD1 4.02Å; L454-I500 HydrophobicContact CD2-CD1 4.32Å; L454-I500 HydrophobicContact CD2-CG2 4.34Å; L479-I500 HydrophobicContact CD1-CD1 4.28Å; F496-I500 HydrophobicContact CD2-CG1 4.42Å; F496-I500 HydrophobicContact CE2-CD1 4.36Å; F496-I500 HydrophobicContact CE2-CG1 4.07Å; F496-I500 HydrophobicContact CZ-CG1 4.28Å; F496-I500 PolarHBondContact O-N 3.39Å; F496-I500 VanDerWaalsContact O-N 3.11Å; I500-C502 VanDerWaalsContact C-N 3.34Å; I500-C502 PolarHBondContact O-N 3.06Å; I500-L503 CarbonylContact O-C 3.6Å; I500-L503 PolarHBondContact O-N 3.28Å; I500-L503 VanDerWaalsContact O-N 3.09Å; I500-C504 PolarHBondContact O-N 3.06Å
501	A	95.8	Very high	94.6	Very high	1 Å²	1	28 Å²	28	1%	0.008	14%	0.141	C	C	.	.	H	α-helix	trans	-67.3	-30.8	-176.7	0	0	0	0	0	113.4	L423 K497 L503 K511 Y514 L515	L423-A501 HydrophobicContact CD1-CB 4.26Å; K497-A501 WeakPolarHBondContact O-CB 3.37Å; K497-A501 PolarHBondContact O-N 3.47Å; A501-L503 VanDerWaalsContact C-N 3.32Å; A501-K511 WeakPolarHBondContact O-CD 3.34Å; A501-K511 WeakPolarHBondContact O-CE 3.26Å; A501-K511 WeakPolarHBondContact O-CG 3.35Å; A501-Y514 HydrophobicContact CB-CD1 3.67Å; A501-Y514 HydrophobicContact CB-CE1 3.68Å; A501-L515 HydrophobicContact CB-CD2 4.12Å; A501-L515 HydrophobicContact CB-CG 4.44Å
502	C	95.4	Very high	94.5	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-63.9	-39.5	171.6	-72.7	0	0	0	0	111.6	T498 I500 K511 W591	T498-C502 VanDerWaalsContact O-CB 3.29Å; T498-C502 WeakPolarHBondContact O-CB 3.42Å; T498-C502 PolarHBondContact O-N 3.44Å; T498-C502 PolarHBondContact O-SG 2.97Å; I500-C502 VanDerWaalsContact C-N 3.34Å; I500-C502 PolarHBondContact O-N 3.06Å; C502-K511 PolarHBondContact O-NZ 3.01Å; C502-W591 HydrophobicContact CB-CH2 4.29Å
503	L	96	Very high	94.5	Very high	1 Å²	1	26.3 Å²	26.3	1%	0.005	14%	0.139	C	C	.	.	H	α-helix	trans	-99.7	-6	-171.3	-64.8	-176.2	0	0	0	115.7	L409 V412 Q413 L416 L418 W478 G499 I500 A501 L595	L409-L503 HydrophobicContact CD2-CD2 4.44Å; V412-L503 HydrophobicContact CG1-CD1 4.45Å; Q413-L503 HydrophobicContact CB-CD2 4.48Å; Q413-L503 HydrophobicContact CG-CB 4.26Å; Q413-L503 HydrophobicContact CG-CD2 4.36Å; Q413-L503 WeakPolarHBondContact CG-O 3.35Å; Q413-L503 PolarHBondContact NE2-O 3.47Å; L416-L503 HydrophobicContact CD1-CD1 4.43Å; L418-L503 CarbonylContact C-O 3.6Å; L418-L503 HydrophobicContact CB-CB 4.08Å; L418-L503 HydrophobicContact CD1-CB 3.72Å; L418-L503 HydrophobicContact CD1-CD1 3.94Å; L418-L503 HydrophobicContact CD1-CG 4.5Å; W478-L503 HydrophobicContact CZ2-CD1 4.49Å; G499-L503 PolarHBondContact O-N 2.96Å; I500-L503 CarbonylContact O-C 3.6Å; I500-L503 PolarHBondContact O-N 3.28Å; I500-L503 VanDerWaalsContact O-N 3.09Å; A501-L503 VanDerWaalsContact C-N 3.32Å; L503-L595 HydrophobicContact CD2-CD2 4.38Å
504	C	95.9	Very high	94.5	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.142	C	C	.	.	S	Bend	trans	-64	169.2	177.4	75.1	0	0	0	0	113.2	Q413 L418 V421 I500 T506 K511	Q413-C504 PolarHBondContact NE2-O 3.11Å; L418-C504 CarbonylContact O-C 3.58Å; L418-C504 VanDerWaalsContact O-CA 3.26Å; L418-C504 WeakPolarHBondContact O-CA 3.22Å; V421-C504 WeakPolarHBondContact O-CB 3.1Å; I500-C504 PolarHBondContact O-N 3.06Å; C504-T506 VanDerWaalsContact C-N 3.29Å; C504-T506 PolarHBondContact O-N 3.35Å; C504-K511 WeakPolarHBondContact O-CE 3.38Å; C504-K511 PolarHBondContact O-NZ 3.08Å; C504-K511 WeakPolarHBondContact SG-CE 3.16Å
505	G	92.6	Very high	94.5	Very high	46 Å²	46	26.7 Å²	26.7	47%	0.474	14%	0.139	S	C	.	.	S	Bend	trans	-75.4	-4.3	-179.6	0	0	0	0	0	116.2	L418 V421	L418-G505 PolarHBondContact O-N 3.18Å; V421-G505 PolarHBondContact O-N 3.45Å
506	T	93.3	Very high	94.4	Very high	19 Å²	19	26.6 Å²	26.6	12%	0.117	14%	0.138	C	C	.	.	S	Bend	trans	-76	158.5	-172.7	-67.8	0	0	0	0	114.5	L423 C504 E510 K511	L423-T506 HydrophobicContact CB-CG2 3.85Å; L423-T506 WeakPolarHBondContact CB-OG1 3.5Å; L423-T506 HydrophobicContact CD2-CG2 4.21Å; L423-T506 PolarHBondContact N-OG1 3.37Å; C504-T506 VanDerWaalsContact C-N 3.29Å; C504-T506 PolarHBondContact O-N 3.35Å; T506-E510 HydrophobicContact CG2-CB 3.78Å; T506-E510 WeakPolarHBondContact CG2-OE2 3.42Å; T506-K511 WeakPolarHBondContact O-CE 3.31Å
507	E	90.9	Very high	94.3	Very high	118 Å²	118	29.5 Å²	29.5	55%	0.551	16%	0.159	S	C	*	.			trans	-57	144.7	177.2	-72.1	-154.7	176.5	0	0	113.5	K509 E510 K511	E507-K509 PolarHBondContact O-N 3.09Å; E507-E510 PolarHBondContact O-N 3.25Å; E507-K511 WeakPolarHBondContact O-CG 3.4Å; E507-K511 PolarHBondContact O-N 2.67Å; E507-K511 VanDerWaalsContact O-N 3.15Å
508	V	90.8	Very high	94.1	Very high	29 Å²	29	31 Å²	31	18%	0.176	17%	0.166	C	C	.	.	H	α-helix	trans	-59.7	-31.4	-177.5	66.1	0	0	0	0	113.9	L512 L592 H596	V508-L512 HydrophobicContact CG2-CD1 3.97Å; V508-L512 HydrophobicContact CG2-CG 4.44Å; V508-L512 WeakPolarHBondContact O-CB 3.3Å; V508-L512 WeakPolarHBondContact O-CD1 3.34Å; V508-L512 VanDerWaalsContact O-CG 3.22Å; V508-L512 WeakPolarHBondContact O-CG 3.35Å; V508-L512 PolarHBondContact O-N 2.96Å; V508-L512 VanDerWaalsContact O-N 3.08Å; V508-L592 HydrophobicContact CG2-CD2 4.42Å; V508-L592 HydrophobicContact CG2-CG 4.12Å; V508-H596 HydrophobicContact CB-CB 3.98Å; V508-H596 HydrophobicContact CG1-CB 4.27Å
509	K	90.9	Very high	94	Very high	117 Å²	117	31.5 Å²	31.5	51%	0.509	17%	0.169	S	C	.	.	H	α-helix	trans	-66.6	-48.1	178.9	-175.9	-165.1	168.5	-161.4	0	111.5	E507 L512 Q513 L579	E507-K509 PolarHBondContact O-N 3.09Å; K509-L512 PolarHBondContact O-N 2.79Å; K509-Q513 WeakPolarHBondContact O-CG 3.43Å; K509-Q513 PolarHBondContact O-N 2.84Å; K509-L579 HydrophobicContact CG-CD1 4.49Å; K509-L579 HydrophobicContact CG-CD2 4.29Å
510	E	93.8	Very high	93.7	Very high	102 Å²	102	32.6 Å²	32.6	48%	0.477	18%	0.178	S	C	.	.	H	α-helix	trans	-67.3	-41	-178.3	-64.8	177.5	170	0	0	110.9	L423 T506 E507 L512 Q513 Y514	L423-E510 HydrophobicContact CD2-CB 4.42Å; T506-E510 HydrophobicContact CG2-CB 3.78Å; T506-E510 WeakPolarHBondContact CG2-OE2 3.42Å; E507-E510 PolarHBondContact O-N 3.25Å; E510-L512 VanDerWaalsContact C-N 3.35Å; E510-L512 PolarHBondContact O-N 2.95Å; E510-Q513 PolarHBondContact O-N 2.97Å; E510-Y514 PolarHBondContact O-N 3.3Å
511	K	94.8	Very high	93.2	Very high	10 Å²	10	35.9 Å²	35.9	4%	0.043	20%	0.195	C	C	.	.	H	α-helix	trans	-53.4	-49.6	169.7	-71	177.8	166.5	-174.1	0	112.3	A501 C502 C504 T506 E507 Q513 Y514 L515	A501-K511 WeakPolarHBondContact O-CD 3.34Å; A501-K511 WeakPolarHBondContact O-CE 3.26Å; A501-K511 WeakPolarHBondContact O-CG 3.35Å; C502-K511 PolarHBondContact O-NZ 3.01Å; C504-K511 WeakPolarHBondContact O-CE 3.38Å; C504-K511 PolarHBondContact O-NZ 3.08Å; C504-K511 WeakPolarHBondContact SG-CE 3.16Å; T506-K511 WeakPolarHBondContact O-CE 3.31Å; E507-K511 WeakPolarHBondContact O-CG 3.4Å; E507-K511 PolarHBondContact O-N 2.67Å; E507-K511 VanDerWaalsContact O-N 3.15Å; K511-Q513 VanDerWaalsContact C-N 3.34Å; K511-Q513 PolarHBondContact O-N 2.74Å; K511-Y514 PolarHBondContact O-N 3.37Å; K511-L515 WeakPolarHBondContact O-CB 3.44Å; K511-L515 VanDerWaalsContact O-CG 3.23Å; K511-L515 WeakPolarHBondContact O-CG 3.47Å; K511-L515 PolarHBondContact O-N 2.97Å
512	L	93.9	Very high	92.3	Very high	10 Å²	10	42.5 Å²	42.5	5%	0.052	24%	0.242	C	C	.	.	H	α-helix	trans	-66.6	-34.4	179.5	-72.5	166.4	0	0	0	112.5	V508 K509 E510 F516 F578 L579 V582 M589 L592	V508-L512 HydrophobicContact CG2-CD1 3.97Å; V508-L512 HydrophobicContact CG2-CG 4.44Å; V508-L512 WeakPolarHBondContact O-CB 3.3Å; V508-L512 WeakPolarHBondContact O-CD1 3.34Å; V508-L512 VanDerWaalsContact O-CG 3.22Å; V508-L512 WeakPolarHBondContact O-CG 3.35Å; V508-L512 PolarHBondContact O-N 2.96Å; V508-L512 VanDerWaalsContact O-N 3.08Å; K509-L512 PolarHBondContact O-N 2.79Å; E510-L512 VanDerWaalsContact C-N 3.35Å; E510-L512 PolarHBondContact O-N 2.95Å; L512-F516 VanDerWaalsContact O-CB 3.32Å; L512-F516 WeakPolarHBondContact O-CB 3.47Å; L512-F516 PolarHBondContact O-N 3.29Å; L512-F578 HydrophobicContact CB-CE1 4.24Å; L512-F578 HydrophobicContact CD2-CE1 4.2Å; L512-F578 HydrophobicContact CD2-CZ 4.24Å; L512-L579 HydrophobicContact CB-CD2 3.75Å; L512-L579 HydrophobicContact CD1-CD2 4.41Å; L512-V582 HydrophobicContact CD1-CB 4.14Å; L512-V582 HydrophobicContact CD1-CG1 3.51Å; L512-V582 HydrophobicContact CD2-CG1 4.08Å; L512-V582 HydrophobicContact CD2-CG2 4.46Å; L512-V582 HydrophobicContact CG-CG1 4.46Å; L512-M589 HydrophobicContact CD2-CE 3.82Å; L512-L592 HydrophobicContact CD2-CD2 4.15Å; L512-L592 HydrophobicContact CG-CD2 4.49Å
513	Q	94.4	Very high	91.4	Very high	76 Å²	76	45.2 Å²	45.2	36%	0.355	27%	0.27	S	S	.	.	H	α-helix	trans	-65.1	-44.5	173.8	-74	178.2	-78.4	0	0	112	K509 E510 K511 S517 L579	K509-Q513 WeakPolarHBondContact O-CG 3.43Å; K509-Q513 PolarHBondContact O-N 2.84Å; E510-Q513 PolarHBondContact O-N 2.97Å; K511-Q513 VanDerWaalsContact C-N 3.34Å; K511-Q513 PolarHBondContact O-N 2.74Å; Q513-S517 PolarHBondContact O-N 3.47Å; Q513-L579 HydrophobicContact CG-CD1 3.66Å; Q513-L579 HydrophobicContact CG-CD2 4.16Å; Q513-L579 HydrophobicContact CG-CG 4.31Å
514	Y	94	Very high	90.9	Very high	16 Å²	16	49.4 Å²	49.4	6%	0.063	30%	0.299	C	S	.	.	H	α-helix	trans	-65.8	-48.8	175.7	169.9	-103.1	0	0	0	112.2	L423 L427 F430 K497 A501 E510 K511 F516 S517 Q518	L423-Y514 HydrophobicContact CD1-CD1 3.85Å; L423-Y514 HydrophobicContact CD1-CE1 4.27Å; L423-Y514 HydrophobicContact CD1-CG 4Å; L423-Y514 HydrophobicContact CD2-CG 4.35Å; L427-Y514 HydrophobicContact CD2-CD2 3.84Å; L427-Y514 HydrophobicContact CD2-CE2 3.41Å; L427-Y514 VanDerWaalsContact CD2-CE2 3.41Å; L427-Y514 HydrophobicContact CG-CE2 4.44Å; F430-Y514 WeakPolarHBondContact CD2-OH 3.43Å; F430-Y514 WeakPolarHBondContact CE2-OH 3.31Å; K497-Y514 HydrophobicContact CB-CE1 4.47Å; K497-Y514 WeakPolarHBondContact CD-OH 3.39Å; K497-Y514 WeakPolarHBondContact CG-OH 3.04Å; A501-Y514 HydrophobicContact CB-CD1 3.67Å; A501-Y514 HydrophobicContact CB-CE1 3.68Å; E510-Y514 PolarHBondContact O-N 3.3Å; K511-Y514 PolarHBondContact O-N 3.37Å; Y514-F516 PolarHBondContact O-N 3.09Å; Y514-S517 PolarHBondContact O-N 3.18Å; Y514-S517 PolarHBondContact O-OG 3.09Å; Y514-Q518 HydrophobicContact CD1-CG 4.38Å; Y514-Q518 HydrophobicContact CD2-CG 4.26Å; Y514-Q518 HydrophobicContact CE1-CG 3.86Å; Y514-Q518 HydrophobicContact CE2-CG 3.73Å; Y514-Q518 VanDerWaalsContact CE2-NE2 3.3Å; Y514-Q518 WeakPolarHBondContact O-CG 3.22Å; Y514-Q518 PolarHBondContact O-N 3.34Å; Y514-Q518 PolarHBondContact OH-OE1 3.2Å
515	L	94.4	Very high	90.6	Very high	1 Å²	1	52.9 Å²	52.9	1%	0.005	32%	0.315	C	S	.	.	H	α-helix	trans	-58	-37.8	177.9	-74.7	173.4	0	0	0	112.1	T498 A501 K511 L534	T498-L515 HydrophobicContact CG2-CD2 3.89Å; A501-L515 HydrophobicContact CB-CD2 4.12Å; A501-L515 HydrophobicContact CB-CG 4.44Å; K511-L515 WeakPolarHBondContact O-CB 3.44Å; K511-L515 VanDerWaalsContact O-CG 3.23Å; K511-L515 WeakPolarHBondContact O-CG 3.47Å; K511-L515 PolarHBondContact O-N 2.97Å; L515-L534 HydrophobicContact CB-CD1 3.81Å; L515-L534 HydrophobicContact CB-CD2 4.45Å; L515-L534 HydrophobicContact CD2-CD1 4.33Å
516	F	94.9	Very high	90.6	Very high	4 Å²	4	50.7 Å²	50.7	2%	0.018	29%	0.293	C	S	.	.	H	α-helix	trans	-66	-41.7	171.5	-175.2	-88.4	0	0	0	112.4	L512 Y514 Q518 V519 A520 C526 I573 A575 F578	L512-F516 VanDerWaalsContact O-CB 3.32Å; L512-F516 WeakPolarHBondContact O-CB 3.47Å; L512-F516 PolarHBondContact O-N 3.29Å; Y514-F516 PolarHBondContact O-N 3.09Å; F516-Q518 VanDerWaalsContact C-N 3.28Å; F516-Q518 PolarHBondContact O-N 3.39Å; F516-V519 WeakPolarHBondContact O-CG2 3.48Å; F516-V519 PolarHBondContact O-N 3.2Å; F516-A520 HydrophobicContact CD1-CB 4.17Å; F516-A520 HydrophobicContact CE1-CB 3.95Å; F516-A520 WeakPolarHBondContact O-CB 3.44Å; F516-A520 PolarHBondContact O-N 3.09Å; F516-C526 HydrophobicContact CE1-CB 4.27Å; F516-C526 HydrophobicContact CE2-CB 3.56Å; F516-C526 HydrophobicContact CZ-CB 3.4Å; F516-C526 VanDerWaalsContact CZ-CB 3.4Å; F516-I573 HydrophobicContact CE2-CD1 4.16Å; F516-I573 HydrophobicContact CE2-CG1 4.12Å; F516-I573 HydrophobicContact CZ-CG1 4.38Å; F516-A575 HydrophobicContact CD1-CB 3.62Å; F516-A575 HydrophobicContact CE1-CB 3.77Å; F516-A575 HydrophobicContact CG-CB 4.3Å; F516-F578 HydrophobicContact CB-CD1 3.87Å; F516-F578 HydrophobicContact CB-CE1 3.98Å; F516-F578 HydrophobicContact CD2-CB 3.68Å; F516-F578 AromaticContact CD2-CD1 3.53Å; F516-F578 HydrophobicContact CD2-CD1 3.53Å; F516-F578 HydrophobicContact CD2-CD2 4.15Å; F516-F578 HydrophobicContact CD2-CE1 4.16Å; F516-F578 AromaticContact CD2-CG 3.51Å; F516-F578 HydrophobicContact CD2-CG 3.51Å; F516-F578 HydrophobicContact CE2-CB 3.69Å; F516-F578 HydrophobicContact CE2-CD1 4.41Å; F516-F578 AromaticContact CE2-CG 3.99Å; F516-F578 HydrophobicContact CE2-CG 3.99Å; F516-F578 AromaticContact CG-CD1 3.99Å; F516-F578 HydrophobicContact CG-CD1 3.99Å; F516-F578 HydrophobicContact CG-CG 4.39Å
517	S	93.4	Very high	90.6	Very high	62 Å²	62	51.9 Å²	51.9	43%	0.434	30%	0.299	S	S	.	.	H	α-helix	trans	-67.9	-24.9	180	77.2	0	0	0	0	113.7	Q513 Y514 V519	Q513-S517 PolarHBondContact O-N 3.47Å; Y514-S517 PolarHBondContact O-N 3.18Å; Y514-S517 PolarHBondContact O-OG 3.09Å; S517-V519 PolarHBondContact O-N 2.87Å
518	Q	92.4	Very high	90.8	Very high	35 Å²	35	50.8 Å²	50.8	16%	0.164	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-13.1	176.3	-59.5	-46.3	-87.9	0	0	114.3	S438 L494 K497 Y514 F516	S438-Q518 PolarHBondContact OG-O 2.93Å; L494-Q518 HydrophobicContact CD1-CB 3.59Å; K497-Q518 HydrophobicContact CD-CG 4.37Å; Y514-Q518 HydrophobicContact CD1-CG 4.38Å; Y514-Q518 HydrophobicContact CD2-CG 4.26Å; Y514-Q518 HydrophobicContact CE1-CG 3.86Å; Y514-Q518 HydrophobicContact CE2-CG 3.73Å; Y514-Q518 VanDerWaalsContact CE2-NE2 3.3Å; Y514-Q518 WeakPolarHBondContact O-CG 3.22Å; Y514-Q518 PolarHBondContact O-N 3.34Å; Y514-Q518 PolarHBondContact OH-OE1 3.2Å; F516-Q518 VanDerWaalsContact C-N 3.28Å; F516-Q518 PolarHBondContact O-N 3.39Å
519	V	92.8	Very high	90.9	Very high	11 Å²	11	56.9 Å²	56.9	7%	0.067	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.8	-4.2	173.8	-60.6	0	0	0	0	113.7	L494 F516 S517 H530 L534	L494-V519 HydrophobicContact CD1-CG1 4.09Å; L494-V519 HydrophobicContact CD2-CG1 3.94Å; F516-V519 WeakPolarHBondContact O-CG2 3.48Å; F516-V519 PolarHBondContact O-N 3.2Å; S517-V519 PolarHBondContact O-N 2.87Å; V519-H530 HydrophobicContact CB-CB 4.46Å; V519-H530 WeakPolarHBondContact O-CB 3.39Å; V519-H530 PolarHBondContact O-CD2 2.95Å; V519-L534 HydrophobicContact CB-CB 4.48Å; V519-L534 HydrophobicContact CG1-CB 3.94Å; V519-L534 HydrophobicContact CG2-CB 3.8Å; V519-L534 HydrophobicContact CG2-CD2 4.13Å
520	A	91.4	Very high	91	Very high	26 Å²	26	54 Å²	54	22%	0.215	30%	0.302	C	S	.	.			trans	-77.3	138.4	179.7	0	0	0	0	0	111.2	F516	F516-A520 HydrophobicContact CD1-CB 4.17Å; F516-A520 HydrophobicContact CE1-CB 3.95Å; F516-A520 WeakPolarHBondContact O-CB 3.44Å; F516-A520 PolarHBondContact O-N 3.09Å
521	N	85.6	Confident	91	Very high	69 Å²	69	49.2 Å²	49.2	37%	0.369	28%	0.279	S	S	.	.	B	Isolated β-bridge	trans	-64.1	166.6	174.4	-49.7	46.3	0	0	0	110.1	G523 S524 Q525	N521-G523 PolarHBondContact O-N 3.49Å; N521-S524 PolarHBondContact O-N 2.92Å; N521-Q525 WeakPolarHBondContact CB-O 3.4Å; N521-Q525 PolarHBondContact N-O 2.83Å; N521-Q525 PolarHBondContact OD1-O 3.46Å
522	S	76.3	Confident	91	Very high	140 Å²	140	49.1 Å²	49.1	98%	0.979	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	-17.1	-175.5	-35.6	0	0	0	0	116
523	G	76.5	Confident	91	Very high	58 Å²	58	51 Å²	51	60%	0.598	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.8	10.8	171.9	0	0	0	0	0	115.6	N521 Q525	N521-G523 PolarHBondContact O-N 3.49Å; G523-Q525 PolarHBondContact O-N 3.44Å
524	S	85.3	Confident	91.1	Very high	88 Å²	88	47.4 Å²	47.4	62%	0.615	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.6	27.6	-171	-59.1	0	0	0	0	114.5	N521	N521-S524 PolarHBondContact O-N 2.92Å
525	Q	90.3	Very high	91.1	Very high	73 Å²	73	46.7 Å²	46.7	34%	0.341	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	150.5	178.7	-73	-179.5	-13.4	0	0	110.1	N521 G523 V572 I573 E574	N521-Q525 WeakPolarHBondContact CB-O 3.4Å; N521-Q525 PolarHBondContact N-O 2.83Å; N521-Q525 PolarHBondContact OD1-O 3.46Å; G523-Q525 PolarHBondContact O-N 3.44Å; Q525-V572 HydrophobicContact CB-CB 4.42Å; Q525-I573 WeakPolarHBondContact CA-O 3.47Å; Q525-E574 HydrophobicContact CG-CG 3.84Å; Q525-E574 PolarHBondContact NE2-OE1 3.21Å; Q525-E574 VanDerWaalsContact NE2-OE1 3.07Å
526	C	93.2	Very high	91.1	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	134.4	-173.3	179.5	0	0	0	0	109.6	F516 H530 L531 V572 I573	F516-C526 HydrophobicContact CE1-CB 4.27Å; F516-C526 HydrophobicContact CE2-CB 3.56Å; F516-C526 HydrophobicContact CZ-CB 3.4Å; F516-C526 VanDerWaalsContact CZ-CB 3.4Å; C526-H530 VanDerWaalsContact SG-CB 3.5Å; C526-L531 PolarHBondContact SG-N 3.39Å; C526-V572 CarbonylContact O-C 3.55Å; C526-V572 WeakPolarHBondContact O-CA 3.38Å; C526-I573 HydrophobicContact CB-CG1 4.16Å; C526-I573 PolarHBondContact N-O 2.96Å; C526-I573 WeakPolarHBondContact O-CG1 3.16Å; C526-I573 PolarHBondContact O-N 2.86Å
527	D	93.4	Very high	91.1	Very high	45 Å²	45	50.3 Å²	50.3	24%	0.241	29%	0.29	C	S	.	.			trans	-95.4	-172.3	172.7	69.1	36.8	0	0	0	112.4	R529 H530 L531 V572	D527-R529 WeakPolarHBondContact OD1-CA 3.27Å; D527-R529 WeakPolarHBondContact OD1-CB 3.35Å; D527-R529 PolarHBondContact OD1-N 2.7Å; D527-H530 IonicContact OD1-CE1 3.93Å; D527-H530 IonicContact OD1-CG 3.65Å; D527-H530 PolarHBondContact OD1-N 2.73Å; D527-H530 IonicContact OD1-ND1 2.85Å; D527-H530 PolarHBondContact OD1-ND1 2.9Å; D527-H530 IonicContact OD2-CE1 3.95Å; D527-H530 PolarHBondContact OD2-CE1 3.32Å; D527-H530 IonicContact OD2-ND1 2.87Å; D527-H530 PolarHBondContact OD2-ND1 3.08Å; D527-L531 WeakPolarHBondContact O-CB 3.33Å; D527-L531 PolarHBondContact O-N 3.16Å; D527-V572 HydrophobicContact CB-CG1 4.23Å
528	Q	93.8	Very high	91.2	Very high	94 Å²	94	47.3 Å²	47.3	44%	0.439	27%	0.269	S	S	.	.	H	α-helix	trans	-67	-34	180	-73.4	-178	68.8	0	0	113.7	G532 V560 F564	Q528-G532 PolarHBondContact O-N 2.77Å; Q528-V560 HydrophobicContact CB-CG1 3.75Å; Q528-V560 HydrophobicContact CG-CG1 3.84Å; Q528-V560 WeakPolarHBondContact O-CG1 3.22Å; Q528-F564 HydrophobicContact CB-CE2 4.4Å; Q528-F564 HydrophobicContact CG-CB 4.37Å; Q528-F564 HydrophobicContact CG-CD1 3.63Å; Q528-F564 HydrophobicContact CG-CD2 3.59Å; Q528-F564 HydrophobicContact CG-CE1 3.78Å; Q528-F564 HydrophobicContact CG-CE2 3.72Å; Q528-F564 HydrophobicContact CG-CG 3.56Å; Q528-F564 HydrophobicContact CG-CZ 3.83Å
529	R	92.9	Very high	91.4	Very high	157 Å²	157	45.7 Å²	45.7	59%	0.592	26%	0.262	S	S	*	.	H	α-helix	trans	-70.6	-48	176.8	177.7	179	172.4	95.9	-6.8	109.9	D527 L531 G532 V533 L755	D527-R529 WeakPolarHBondContact OD1-CA 3.27Å; D527-R529 WeakPolarHBondContact OD1-CB 3.35Å; D527-R529 PolarHBondContact OD1-N 2.7Å; R529-L531 VanDerWaalsContact C-N 3.35Å; R529-L531 PolarHBondContact O-N 2.91Å; R529-G532 WeakPolarHBondContact O-CA 3.45Å; R529-G532 PolarHBondContact O-N 2.71Å; R529-V533 WeakPolarHBondContact O-CG2 3.39Å; R529-V533 PolarHBondContact O-N 2.74Å; R529-L755 VanDerWaalsContact CZ-CD1 3.46Å
530	H	93.8	Very high	91.5	Very high	58 Å²	58	45.8 Å²	45.8	27%	0.269	26%	0.261	S	S	.	.	H	α-helix	trans	-62.3	-40.9	-179.4	-67.8	84.3	0	0	0	111.7	V519 C526 D527 V533 L534	V519-H530 HydrophobicContact CB-CB 4.46Å; V519-H530 WeakPolarHBondContact O-CB 3.39Å; V519-H530 PolarHBondContact O-CD2 2.95Å; C526-H530 VanDerWaalsContact SG-CB 3.5Å; D527-H530 IonicContact OD1-CE1 3.93Å; D527-H530 IonicContact OD1-CG 3.65Å; D527-H530 PolarHBondContact OD1-N 2.73Å; D527-H530 IonicContact OD1-ND1 2.85Å; D527-H530 PolarHBondContact OD1-ND1 2.9Å; D527-H530 IonicContact OD2-CE1 3.95Å; D527-H530 PolarHBondContact OD2-CE1 3.32Å; D527-H530 IonicContact OD2-ND1 2.87Å; D527-H530 PolarHBondContact OD2-ND1 3.08Å; H530-V533 PolarHBondContact O-N 3.38Å; H530-L534 PolarHBondContact O-N 2.88Å
531	L	94.1	Very high	91.7	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-67.5	-37.1	172.3	-177.9	63.8	0	0	0	111.9	C526 D527 R529 L534 L535 V560 C563 F564 I573 F578	C526-L531 PolarHBondContact SG-N 3.39Å; D527-L531 WeakPolarHBondContact O-CB 3.33Å; D527-L531 PolarHBondContact O-N 3.16Å; R529-L531 VanDerWaalsContact C-N 3.35Å; R529-L531 PolarHBondContact O-N 2.91Å; L531-L534 PolarHBondContact O-N 3.14Å; L531-L535 HydrophobicContact CD1-CD1 4.34Å; L531-L535 HydrophobicContact CD1-CG 4.18Å; L531-L535 HydrophobicContact CD2-CD1 4.46Å; L531-L535 HydrophobicContact CG-CD1 4.06Å; L531-L535 HydrophobicContact CG-CG 4.28Å; L531-L535 WeakPolarHBondContact O-CG 3.31Å; L531-L535 PolarHBondContact O-N 2.74Å; L531-V560 HydrophobicContact CD2-CG1 4.42Å; L531-V560 HydrophobicContact CG-CG2 4.46Å; L531-C563 HydrophobicContact CD2-CB 3.61Å; L531-F564 HydrophobicContact CB-CE2 4.13Å; L531-F564 HydrophobicContact CD2-CD2 3.96Å; L531-F564 HydrophobicContact CD2-CE2 3.65Å; L531-I573 HydrophobicContact CD2-CD1 4.05Å; L531-F578 HydrophobicContact CD1-CD2 3.94Å; L531-F578 HydrophobicContact CD1-CE2 3.72Å
532	G	94.5	Very high	92.2	Very high	8 Å²	8	41.3 Å²	41.3	8%	0.082	23%	0.234	C	C	.	.	H	α-helix	trans	-56.7	-47.4	174	0	0	0	0	0	112.1	Q528 R529 L535 H536	Q528-G532 PolarHBondContact O-N 2.77Å; R529-G532 WeakPolarHBondContact O-CA 3.45Å; R529-G532 PolarHBondContact O-N 2.71Å; G532-L535 PolarHBondContact O-N 3.03Å; G532-H536 VanDerWaalsContact O-CB 3.27Å; G532-H536 WeakPolarHBondContact O-CB 3.48Å; G532-H536 PolarHBondContact O-N 3.42Å
533	V	94.5	Very high	93.1	Very high	50 Å²	50	39.8 Å²	39.8	30%	0.303	21%	0.207	S	C	.	.	H	α-helix	trans	-58.6	-50	175.8	178	0	0	0	0	111.1	L494 R529 H530 L535 H536 E537	L494-V533 HydrophobicContact CD2-CG1 3.52Å; R529-V533 WeakPolarHBondContact O-CG2 3.39Å; R529-V533 PolarHBondContact O-N 2.74Å; H530-V533 PolarHBondContact O-N 3.38Å; V533-L535 PolarHBondContact O-N 3.24Å; V533-H536 WeakPolarHBondContact O-CB 3.35Å; V533-H536 PolarHBondContact O-N 2.98Å; V533-H536 VanDerWaalsContact O-N 3.14Å; V533-E537 WeakPolarHBondContact O-CG 3.48Å; V533-E537 PolarHBondContact O-N 3.21Å
534	L	95	Very high	94.1	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.005	19%	0.191	C	C	.	.	H	α-helix	trans	-59.4	-45.3	178.4	169.3	59	0	0	0	112.6	L515 V519 H530 L531 H536 E537 A538 F578	L515-L534 HydrophobicContact CB-CD1 3.81Å; L515-L534 HydrophobicContact CB-CD2 4.45Å; L515-L534 HydrophobicContact CD2-CD1 4.33Å; V519-L534 HydrophobicContact CB-CB 4.48Å; V519-L534 HydrophobicContact CG1-CB 3.94Å; V519-L534 HydrophobicContact CG2-CB 3.8Å; V519-L534 HydrophobicContact CG2-CD2 4.13Å; H530-L534 PolarHBondContact O-N 2.88Å; L531-L534 PolarHBondContact O-N 3.14Å; L534-H536 VanDerWaalsContact C-N 3.28Å; L534-H536 PolarHBondContact O-N 3.13Å; L534-E537 PolarHBondContact O-N 2.85Å; L534-A538 WeakPolarHBondContact O-CB 3.46Å; L534-A538 PolarHBondContact O-N 3.3Å; L534-F578 HydrophobicContact CD2-CE1 4.49Å; L534-F578 HydrophobicContact CD2-CE2 4.44Å; L534-F578 HydrophobicContact CD2-CZ 3.94Å
535	L	95.2	Very high	94.5	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.005	17%	0.166	C	C	.	.	H	α-helix	trans	-67.5	-31.9	178.2	-67.1	-179.4	0	0	0	111.8	L531 G532 V533 A538 I539 V556 V560 W581 M589	L531-L535 HydrophobicContact CD1-CD1 4.34Å; L531-L535 HydrophobicContact CD1-CG 4.18Å; L531-L535 HydrophobicContact CD2-CD1 4.46Å; L531-L535 HydrophobicContact CG-CD1 4.06Å; L531-L535 HydrophobicContact CG-CG 4.28Å; L531-L535 WeakPolarHBondContact O-CG 3.31Å; L531-L535 PolarHBondContact O-N 2.74Å; G532-L535 PolarHBondContact O-N 3.03Å; V533-L535 PolarHBondContact O-N 3.24Å; L535-A538 PolarHBondContact O-N 3.04Å; L535-I539 WeakPolarHBondContact O-CB 3.26Å; L535-I539 PolarHBondContact O-N 3.03Å; L535-V556 HydrophobicContact CB-CB 3.94Å; L535-V556 HydrophobicContact CB-CG1 4Å; L535-V556 HydrophobicContact CB-CG2 4.42Å; L535-V560 HydrophobicContact CD1-CG2 3.94Å; L535-W581 HydrophobicContact CD1-CH2 4.24Å; L535-W581 HydrophobicContact CD2-CH2 4.47Å; L535-W581 HydrophobicContact CD2-CZ3 4.45Å; L535-M589 HydrophobicContact CD2-CG 3.75Å; L535-M589 HydrophobicContact CD2-SD 3.65Å
536	H	94.8	Very high	94.7	Very high	78 Å²	78	36.1 Å²	36.1	36%	0.361	18%	0.182	S	C	.	.	H	α-helix	trans	-68	-40.4	174.8	-179	-87.2	0	0	0	112.2	G532 V533 L534 I539 Q540 V556	G532-H536 VanDerWaalsContact O-CB 3.27Å; G532-H536 WeakPolarHBondContact O-CB 3.48Å; G532-H536 PolarHBondContact O-N 3.42Å; V533-H536 WeakPolarHBondContact O-CB 3.35Å; V533-H536 PolarHBondContact O-N 2.98Å; V533-H536 VanDerWaalsContact O-N 3.14Å; L534-H536 VanDerWaalsContact C-N 3.28Å; L534-H536 PolarHBondContact O-N 3.13Å; H536-I539 WeakPolarHBondContact O-CG2 3.43Å; H536-Q540 PolarHBondContact CE1-NE2 3.26Å; H536-Q540 PolarHBondContact NE2-NE2 2.97Å; H536-Q540 WeakPolarHBondContact O-CG 3.34Å; H536-Q540 PolarHBondContact O-NE2 3.37Å; H536-V556 HydrophobicContact CB-CG2 4.49Å
537	E	94.8	Very high	94.8	Very high	2 Å²	2	36.7 Å²	36.7	1%	0.009	19%	0.185	C	C	.	.	H	α-helix	trans	-64.4	-47.3	171.9	-64.1	-54.6	128.3	0	0	111.1	F483 R492 L494 S495 T498 V533 L534 I539 Q540	F483-E537 WeakPolarHBondContact CD1-OE2 3.5Å; F483-E537 VanDerWaalsContact CE1-OE2 3.32Å; F483-E537 WeakPolarHBondContact CE1-OE2 3.49Å; R492-E537 IonicContact CZ-OE1 3.74Å; R492-E537 IonicContact NE-OE1 3.37Å; R492-E537 IonicContact NH2-OE1 3.51Å; R492-E537 PolarHBondContact NH2-OE1 3.01Å; L494-E537 HydrophobicContact CD2-CG 4.2Å; L494-E537 HydrophobicContact CG-CG 4.23Å; S495-E537 VanDerWaalsContact CA-OE2 3.31Å; S495-E537 WeakPolarHBondContact CA-OE2 3.24Å; S495-E537 WeakPolarHBondContact CB-OE2 3.49Å; S495-E537 VanDerWaalsContact OG-CD 3.31Å; S495-E537 PolarHBondContact OG-OE2 3.43Å; T498-E537 HydrophobicContact CG2-CB 3.85Å; V533-E537 WeakPolarHBondContact O-CG 3.48Å; V533-E537 PolarHBondContact O-N 3.21Å; L534-E537 PolarHBondContact O-N 2.85Å; E537-I539 VanDerWaalsContact C-N 3.32Å; E537-I539 PolarHBondContact O-N 3.14Å; E537-Q540 PolarHBondContact O-N 3.09Å
538	A	95.1	Very high	94.7	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-62.6	-35	-178.2	0	0	0	0	0	113.2	L534 L535 Q540 V541 P542 M589 W591	L534-A538 WeakPolarHBondContact O-CB 3.46Å; L534-A538 PolarHBondContact O-N 3.3Å; L535-A538 PolarHBondContact O-N 3.04Å; A538-Q540 VanDerWaalsContact C-N 3.31Å; A538-Q540 PolarHBondContact O-N 2.84Å; A538-V541 PolarHBondContact O-N 3.46Å; A538-P542 VanDerWaalsContact O-CD 3.27Å; A538-P542 WeakPolarHBondContact O-CD 3.38Å; A538-M589 HydrophobicContact CB-CE 4.1Å; A538-M589 HydrophobicContact CB-SD 3.66Å; A538-W591 HydrophobicContact CB-CZ2 4.3Å; A538-W591 VanDerWaalsContact O-CZ2 3.25Å; A538-W591 WeakPolarHBondContact O-CZ2 3.43Å
539	I	95.4	Very high	94.5	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.005	20%	0.195	C	C	.	.	H	α-helix	trans	-75.9	-14.7	-178.7	-154.3	68.5	0	0	0	113.5	L535 H536 E537 V541 P542 R543 V548 F551 V556	L535-I539 WeakPolarHBondContact O-CB 3.26Å; L535-I539 PolarHBondContact O-N 3.03Å; H536-I539 WeakPolarHBondContact O-CG2 3.43Å; E537-I539 VanDerWaalsContact C-N 3.32Å; E537-I539 PolarHBondContact O-N 3.14Å; I539-V541 VanDerWaalsContact C-N 3.3Å; I539-V541 PolarHBondContact O-N 2.94Å; I539-P542 HydrophobicContact CD1-CG 3.98Å; I539-P542 HydrophobicContact CG1-CG 4.49Å; I539-P542 VanDerWaalsContact O-CD 3.29Å; I539-P542 WeakPolarHBondContact O-CD 3.45Å; I539-P542 WeakPolarHBondContact O-CG 3.32Å; I539-R543 WeakPolarHBondContact O-CB 3.24Å; I539-R543 PolarHBondContact O-N 3.08Å; I539-V548 HydrophobicContact CD1-CG2 4.44Å; I539-V548 HydrophobicContact CG1-CG2 3.88Å; I539-F551 HydrophobicContact CD1-CB 3.81Å; I539-V556 HydrophobicContact CB-CG1 4.48Å; I539-V556 HydrophobicContact CG2-CG1 4.05Å
540	Q	96.1	Very high	94.3	Very high	12 Å²	12	29.3 Å²	29.3	6%	0.056	18%	0.177	C	C	.	.	H	α-helix	trans	-65	-35	173.6	-54.6	-45.2	-47.8	0	0	112	V482 F483 H536 E537 A538 R543 Q544	V482-Q540 HydrophobicContact CG1-CB 3.53Å; F483-Q540 HydrophobicContact CD1-CB 4.32Å; F483-Q540 HydrophobicContact CD1-CG 4.25Å; F483-Q540 HydrophobicContact CE1-CB 4.12Å; F483-Q540 HydrophobicContact CE1-CG 4.24Å; H536-Q540 PolarHBondContact CE1-NE2 3.26Å; H536-Q540 PolarHBondContact NE2-NE2 2.97Å; H536-Q540 WeakPolarHBondContact O-CG 3.34Å; H536-Q540 PolarHBondContact O-NE2 3.37Å; E537-Q540 PolarHBondContact O-N 3.09Å; A538-Q540 VanDerWaalsContact C-N 3.31Å; A538-Q540 PolarHBondContact O-N 2.84Å; Q540-R543 WeakPolarHBondContact O-CB 3.24Å; Q540-R543 PolarHBondContact O-N 2.68Å; Q540-R543 VanDerWaalsContact O-N 3.11Å; Q540-Q544 PolarHBondContact O-N 2.82Å
541	V	96.2	Very high	94.1	Very high	1 Å²	1	26.6 Å²	26.6	1%	0.006	16%	0.164	C	C	.	.	H	α-helix	trans	-58.6	-51.5	-179	174.3	0	0	0	0	112.8	L409 W478 V482 A538 I539 W591	L409-V541 HydrophobicContact CD1-CG1 3.98Å; L409-V541 HydrophobicContact CD2-CG1 3.48Å; L409-V541 VanDerWaalsContact CD2-CG1 3.48Å; L409-V541 HydrophobicContact CG-CG1 4.4Å; W478-V541 HydrophobicContact CZ2-CG1 4.44Å; V482-V541 HydrophobicContact CG1-CG2 4.11Å; A538-V541 PolarHBondContact O-N 3.46Å; I539-V541 VanDerWaalsContact C-N 3.3Å; I539-V541 PolarHBondContact O-N 2.94Å; V541-W591 HydrophobicContact CB-CH2 4Å; V541-W591 HydrophobicContact CB-CZ2 4.34Å; V541-W591 HydrophobicContact CB-CZ3 4.48Å; V541-W591 HydrophobicContact CG1-CH2 3.9Å; V541-W591 HydrophobicContact CG1-CZ3 3.88Å; V541-W591 HydrophobicContact CG2-CH2 4.41Å
542	P	95.4	Very high	93.6	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-74.5	-21.1	171.4	28.8	-35.4	0	0	0	114.1	T405 A538 I539 L545 G546 E547 V548 F551	T405-P542 HydrophobicContact CG2-CB 4.05Å; A538-P542 VanDerWaalsContact O-CD 3.27Å; A538-P542 WeakPolarHBondContact O-CD 3.38Å; I539-P542 HydrophobicContact CD1-CG 3.98Å; I539-P542 HydrophobicContact CG1-CG 4.49Å; I539-P542 VanDerWaalsContact O-CD 3.29Å; I539-P542 WeakPolarHBondContact O-CD 3.45Å; I539-P542 WeakPolarHBondContact O-CG 3.32Å; P542-L545 PolarHBondContact O-N 3.49Å; P542-G546 PolarHBondContact O-N 3.36Å; P542-E547 PolarHBondContact O-N 2.86Å; P542-V548 PolarHBondContact O-N 2.68Å; P542-F551 HydrophobicContact CB-CD2 3.56Å; P542-F551 HydrophobicContact CB-CE2 3.71Å; P542-F551 HydrophobicContact CG-CD2 4.07Å
543	R	95.8	Very high	93.3	Very high	109 Å²	109	30 Å²	30	41%	0.411	20%	0.199	S	C	.	.	H	α-helix	trans	-63.7	-45.6	172.3	177.3	179.2	165.8	-116.7	-7.2	111.3	I539 Q540 L545 G546 V548	I539-R543 WeakPolarHBondContact O-CB 3.24Å; I539-R543 PolarHBondContact O-N 3.08Å; Q540-R543 WeakPolarHBondContact O-CB 3.24Å; Q540-R543 PolarHBondContact O-N 2.68Å; Q540-R543 VanDerWaalsContact O-N 3.11Å; R543-L545 PolarHBondContact O-N 3.46Å; R543-G546 PolarHBondContact O-N 3.48Å; R543-V548 HydrophobicContact CB-CB 3.91Å; R543-V548 HydrophobicContact CB-CG1 4.06Å; R543-V548 HydrophobicContact CB-CG2 4.36Å; R543-V548 HydrophobicContact CG-CB 4.49Å; R543-V548 HydrophobicContact CG-CG1 4.11Å
544	Q	95.9	Very high	93	Very high	58 Å²	58	30.7 Å²	30.7	27%	0.271	21%	0.207	S	C	.	.	H	α-helix	trans	-64.1	-19.9	177.9	-176.5	53.2	21.5	0	0	113.7	Y389 W478 N481 V482 Q540	Y389-Q544 PolarHBondContact OH-NE2 3.45Å; W478-Q544 HydrophobicContact CH2-CG 4.35Å; W478-Q544 HydrophobicContact CZ3-CG 4Å; N481-Q544 HydrophobicContact CB-CG 4.12Å; N481-Q544 PolarHBondContact O-OE1 3.09Å; V482-Q544 HydrophobicContact CG2-CB 3.87Å; V482-Q544 HydrophobicContact CG2-CG 3.95Å; Q540-Q544 PolarHBondContact O-N 2.82Å
545	L	95.1	Very high	92.7	Very high	18 Å²	18	35.3 Å²	35.3	9%	0.094	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	0.7	173.4	-64.8	-178.5	0	0	0	114.3	L392 T405 K408 L409 W478 P542 R543 E547	L392-L545 HydrophobicContact CD1-CD2 3.63Å; T405-L545 HydrophobicContact CG2-CD1 4.11Å; K408-L545 HydrophobicContact CB-CD1 3.77Å; K408-L545 HydrophobicContact CB-CD2 4.46Å; K408-L545 HydrophobicContact CD-CB 4.45Å; K408-L545 HydrophobicContact CD-CD1 4.47Å; L409-L545 HydrophobicContact CD2-CD1 3.54Å; L409-L545 HydrophobicContact CD2-CG 4.47Å; L409-L545 HydrophobicContact CG-CD1 3.6Å; W478-L545 HydrophobicContact CH2-CD2 4.03Å; W478-L545 HydrophobicContact CH2-CG 4.22Å; W478-L545 HydrophobicContact CZ3-CD2 4.15Å; P542-L545 PolarHBondContact O-N 3.49Å; R543-L545 PolarHBondContact O-N 3.46Å; L545-E547 VanDerWaalsContact C-N 3.33Å; L545-E547 HydrophobicContact CB-CG 4.03Å
546	G	94	Very high	92.6	Very high	65 Å²	65	35.7 Å²	35.7	67%	0.67	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	75	15.6	-175.4	0	0	0	0	0	114.6	P542 R543	P542-G546 PolarHBondContact O-N 3.36Å; R543-G546 PolarHBondContact O-N 3.48Å
547	E	94.3	Very high	92.5	Very high	12 Å²	12	35.9 Å²	35.9	6%	0.056	24%	0.235	C	C	.	.			trans	-106.1	-6.6	-168.9	-58.5	-79.1	-178.4	0	0	113.7	R404 T405 K408 P542 L545 A549 A550 F551	R404-E547 WeakPolarHBondContact CD-OE1 3.33Å; R404-E547 WeakPolarHBondContact CG-OE1 3.47Å; R404-E547 IonicContact CZ-OE1 2.72Å; R404-E547 IonicContact CZ-OE2 3.89Å; R404-E547 VanDerWaalsContact CZ-OE2 3.26Å; R404-E547 VanDerWaalsContact NE-CD 3.28Å; R404-E547 IonicContact NE-OE1 3.22Å; R404-E547 PolarHBondContact NE-OE1 3.44Å; R404-E547 IonicContact NE-OE2 2.68Å; R404-E547 PolarHBondContact NE-OE2 3.47Å; R404-E547 IonicContact NH2-OE1 2.71Å; R404-E547 IonicContact NH2-OE2 2.88Å; R404-E547 PolarHBondContact NH2-OE2 2.86Å; T405-E547 HydrophobicContact CG2-CB 4.24Å; T405-E547 HydrophobicContact CG2-CG 4.28Å; T405-E547 WeakPolarHBondContact OG1-CB 3.4Å; T405-E547 VanDerWaalsContact OG1-CG 3.31Å; T405-E547 WeakPolarHBondContact OG1-CG 3.25Å; K408-E547 WeakPolarHBondContact CE-OE1 3.49Å; K408-E547 IonicContact NZ-OE1 3.42Å; K408-E547 PolarHBondContact NZ-OE1 3.49Å; P542-E547 PolarHBondContact O-N 2.86Å; L545-E547 VanDerWaalsContact C-N 3.33Å; L545-E547 HydrophobicContact CB-CG 4.03Å; E547-A549 PolarHBondContact O-N 3.31Å; E547-A549 VanDerWaalsContact O-N 3.09Å; E547-A550 WeakPolarHBondContact O-CB 3.35Å; E547-A550 PolarHBondContact O-N 3.14Å; E547-F551 HydrophobicContact CB-CD2 4.36Å; E547-F551 HydrophobicContact CB-CE2 3.76Å; E547-F551 VanDerWaalsContact O-CD2 3.32Å; E547-F551 WeakPolarHBondContact O-CD2 3.23Å
548	V	93.1	Very high	92.4	Very high	24 Å²	24	39 Å²	39	15%	0.145	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-52	-33.9	-173.4	56.8	0	0	0	0	115	I539 P542 R543 A550 F551 G553	I539-V548 HydrophobicContact CD1-CG2 4.44Å; I539-V548 HydrophobicContact CG1-CG2 3.88Å; P542-V548 PolarHBondContact O-N 2.68Å; R543-V548 HydrophobicContact CB-CB 3.91Å; R543-V548 HydrophobicContact CB-CG1 4.06Å; R543-V548 HydrophobicContact CB-CG2 4.36Å; R543-V548 HydrophobicContact CG-CB 4.49Å; R543-V548 HydrophobicContact CG-CG1 4.11Å; V548-A550 PolarHBondContact O-N 3Å; V548-A550 VanDerWaalsContact O-N 3.15Å; V548-F551 PolarHBondContact O-N 2.85Å; V548-G553 VanDerWaalsContact CG2-C 3.41Å; V548-G553 PolarHBondContact O-N 3.21Å; V548-G553 VanDerWaalsContact O-N 3.07Å
549	A	88.9	Confident	92.2	Very high	91 Å²	91	39.9 Å²	39.9	75%	0.752	26%	0.262	S	S	*	.	G	3₁₀ helix	trans	-57.8	-29	175.9	0	0	0	0	0	112.8	E547 F551	E547-A549 PolarHBondContact O-N 3.31Å; E547-A549 VanDerWaalsContact O-N 3.09Å; A549-F551 VanDerWaalsContact C-N 3.33Å
550	A	87.6	Confident	92.2	Very high	26 Å²	26	40 Å²	40	22%	0.215	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-82.7	-5.3	177.2	0	0	0	0	0	114.2	E547 V548 Q587	E547-A550 WeakPolarHBondContact O-CB 3.35Å; E547-A550 PolarHBondContact O-N 3.14Å; V548-A550 PolarHBondContact O-N 3Å; V548-A550 VanDerWaalsContact O-N 3.15Å; A550-Q587 PolarHBondContact O-NE2 3.26Å
551	F	91.1	Very high	92	Very high	1 Å²	1	45.1 Å²	45.1	0%	0.004	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-116.1	11.9	-176.7	-59.6	-64.3	0	0	0	113.7	A402 T405 I539 P542 E547 V548 A549 Q587 S588 V590 W591	A402-F551 HydrophobicContact CB-CE1 4.3Å; T405-F551 HydrophobicContact CG2-CE2 3.76Å; T405-F551 HydrophobicContact CG2-CZ 3.95Å; T405-F551 VanDerWaalsContact OG1-CE2 3.28Å; T405-F551 WeakPolarHBondContact OG1-CE2 3.5Å; T405-F551 VanDerWaalsContact OG1-CZ 3.26Å; T405-F551 WeakPolarHBondContact OG1-CZ 3.27Å; I539-F551 HydrophobicContact CD1-CB 3.81Å; P542-F551 HydrophobicContact CB-CD2 3.56Å; P542-F551 HydrophobicContact CB-CE2 3.71Å; P542-F551 HydrophobicContact CG-CD2 4.07Å; E547-F551 HydrophobicContact CB-CD2 4.36Å; E547-F551 HydrophobicContact CB-CE2 3.76Å; E547-F551 VanDerWaalsContact O-CD2 3.32Å; E547-F551 WeakPolarHBondContact O-CD2 3.23Å; V548-F551 PolarHBondContact O-N 2.85Å; A549-F551 VanDerWaalsContact C-N 3.33Å; F551-Q587 WeakPolarHBondContact CA-O 3.45Å; F551-Q587 WeakPolarHBondContact CB-O 3.33Å; F551-Q587 VanDerWaalsContact CD1-O 3.27Å; F551-Q587 WeakPolarHBondContact CD1-O 3.24Å; F551-Q587 CarbonylContact O-C 3.58Å; F551-S588 WeakPolarHBondContact O-CA 3.45Å; F551-S588 PolarHBondContact O-N 3.35Å; F551-V590 HydrophobicContact CD1-CG1 3.99Å; F551-V590 HydrophobicContact CE1-CG1 3.96Å; F551-W591 HydrophobicContact CE1-CB 3.91Å; F551-W591 HydrophobicContact CZ-CB 3.89Å
552	G	83.1	Confident	91.8	Very high	56 Å²	56	47.7 Å²	47.7	58%	0.577	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	112.9	-3.5	178.9	0	0	0	0	0	114.6
553	G	88.1	Confident	91.6	Very high	23 Å²	23	47.8 Å²	47.8	24%	0.237	30%	0.3	C	S	.	.			trans	81.9	-177.5	-168.8	0	0	0	0	0	111.9	V548 N555	V548-G553 VanDerWaalsContact CG2-C 3.41Å; V548-G553 PolarHBondContact O-N 3.21Å; V548-G553 VanDerWaalsContact O-N 3.07Å; G553-N555 VanDerWaalsContact C-N 3.27Å; G553-N555 PolarHBondContact O-N 3.02Å
554	S	87.7	Confident	91.5	Very high	65 Å²	65	43 Å²	43	46%	0.455	28%	0.282	S	S	.	.	S	Bend	trans	-74.6	-15.1	-178.4	-45.7	0	0	0	0	113.7
555	N	90.1	Very high	91.2	Very high	99 Å²	99	49.8 Å²	49.8	53%	0.529	31%	0.305	S	S	.	.			trans	-83.8	118.8	-179	-174.8	-71.4	0	0	0	110.1	G553 E557 P558	G553-N555 VanDerWaalsContact C-N 3.27Å; G553-N555 PolarHBondContact O-N 3.02Å; N555-E557 PolarHBondContact OD1-OE2 3.31Å; N555-P558 WeakPolarHBondContact OD1-CD 3.31Å
556	V	92.3	Very high	90.8	Very high	9 Å²	9	53 Å²	53	6%	0.055	32%	0.319	C	S	.	.			trans	-98.8	-14.2	-169.3	-64.3	0	0	0	0	113.6	L535 H536 I539 P558 S559 V560	L535-V556 HydrophobicContact CB-CB 3.94Å; L535-V556 HydrophobicContact CB-CG1 4Å; L535-V556 HydrophobicContact CB-CG2 4.42Å; H536-V556 HydrophobicContact CB-CG2 4.49Å; I539-V556 HydrophobicContact CB-CG1 4.48Å; I539-V556 HydrophobicContact CG2-CG1 4.05Å; V556-P558 VanDerWaalsContact C-CD 3.42Å; V556-S559 WeakPolarHBondContact O-CA 3.41Å; V556-S559 VanDerWaalsContact O-CB 3.3Å; V556-S559 WeakPolarHBondContact O-CB 3.41Å; V556-S559 PolarHBondContact O-N 2.65Å; V556-V560 HydrophobicContact CG2-CG2 4.5Å; V556-V560 PolarHBondContact O-N 3.49Å
557	E	92.7	Very high	90.4	Very high	81 Å²	81	50.4 Å²	50.4	38%	0.379	29%	0.29	S	S	.	.	H	α-helix	trans	-54.4	-36.2	-178.7	-76.3	46.4	-114.5	0	0	114.2	N555 S559 R561	N555-E557 PolarHBondContact OD1-OE2 3.31Å; E557-S559 VanDerWaalsContact C-N 3.27Å; E557-S559 PolarHBondContact O-N 2.89Å; E557-R561 VanDerWaalsContact O-CB 3.25Å; E557-R561 WeakPolarHBondContact O-CB 3.4Å; E557-R561 WeakPolarHBondContact O-CG 3.43Å; E557-R561 PolarHBondContact O-N 2.87Å; E557-R561 PolarHBondContact O-NE 3.12Å
558	P	91.9	Very high	89.8	Confident	68 Å²	68	55.5 Å²	55.5	44%	0.442	32%	0.322	S	S	.	.	H	α-helix	trans	-58	-38.4	170.1	-25	33.8	0	0	0	113	N555 V556 S562	N555-P558 WeakPolarHBondContact OD1-CD 3.31Å; V556-P558 VanDerWaalsContact C-CD 3.42Å; P558-S562 WeakPolarHBondContact O-CB 3.28Å; P558-S562 PolarHBondContact O-N 2.97Å
559	S	92.6	Very high	89	Confident	19 Å²	19	57.1 Å²	57.1	13%	0.133	34%	0.344	C	S	.	.	H	α-helix	trans	-77.1	-42.3	179.4	-60.3	0	0	0	0	111.7	V556 E557 R561 S562 C563 W581 S588	V556-S559 WeakPolarHBondContact O-CA 3.41Å; V556-S559 VanDerWaalsContact O-CB 3.3Å; V556-S559 WeakPolarHBondContact O-CB 3.41Å; V556-S559 PolarHBondContact O-N 2.65Å; E557-S559 VanDerWaalsContact C-N 3.27Å; E557-S559 PolarHBondContact O-N 2.89Å; S559-R561 PolarHBondContact O-N 3.49Å; S559-S562 WeakPolarHBondContact O-CB 3.46Å; S559-S562 PolarHBondContact O-N 3.3Å; S559-S562 VanDerWaalsContact O-N 3.12Å; S559-C563 PolarHBondContact O-N 3.11Å; S559-W581 WeakPolarHBondContact O-CZ2 3.4Å; S559-S588 WeakPolarHBondContact CB-OG 3.37Å; S559-S588 PolarHBondContact OG-OG 2.82Å
560	V	94	Very high	88.9	Confident	4 Å²	4	57.6 Å²	57.6	2%	0.024	33%	0.329	C	S	.	.	H	α-helix	trans	-55.8	-53.1	170.9	177.2	0	0	0	0	109.9	Q528 L531 L535 V556 S562 C563 F564	Q528-V560 HydrophobicContact CB-CG1 3.75Å; Q528-V560 HydrophobicContact CG-CG1 3.84Å; Q528-V560 WeakPolarHBondContact O-CG1 3.22Å; L531-V560 HydrophobicContact CD2-CG1 4.42Å; L531-V560 HydrophobicContact CG-CG2 4.46Å; L535-V560 HydrophobicContact CD1-CG2 3.94Å; V556-V560 HydrophobicContact CG2-CG2 4.5Å; V556-V560 PolarHBondContact O-N 3.49Å; V560-S562 PolarHBondContact O-N 3.29Å; V560-C563 PolarHBondContact O-N 3.13Å; V560-C563 VanDerWaalsContact O-N 3.13Å; V560-F564 HydrophobicContact CG1-CD2 4.07Å; V560-F564 HydrophobicContact CG1-CE2 4.38Å; V560-F564 WeakPolarHBondContact O-CD2 3.33Å; V560-F564 PolarHBondContact O-N 3Å
561	R	91.8	Very high	88.8	Confident	118 Å²	118	61.2 Å²	61.2	45%	0.445	35%	0.35	S	S	.	.	H	α-helix	trans	-63.7	-25.7	177.9	-68.6	174.2	-65.1	-148.5	2.4	112.9	E557 S559 R565	E557-R561 VanDerWaalsContact O-CB 3.25Å; E557-R561 WeakPolarHBondContact O-CB 3.4Å; E557-R561 WeakPolarHBondContact O-CG 3.43Å; E557-R561 PolarHBondContact O-N 2.87Å; E557-R561 PolarHBondContact O-NE 3.12Å; S559-R561 PolarHBondContact O-N 3.49Å; R561-R565 WeakPolarHBondContact O-CB 3.43Å; R561-R565 WeakPolarHBondContact O-CD 3.22Å; R561-R565 WeakPolarHBondContact O-CG 3.41Å; R561-R565 PolarHBondContact O-N 3.31Å; R561-R565 VanDerWaalsContact O-N 3.13Å
562	S	91.8	Very high	88.8	Confident	56 Å²	56	63.8 Å²	63.8	39%	0.392	37%	0.366	S	S	.	.	H	α-helix	trans	-68.2	-49.7	171.1	178.1	0	0	0	0	111.5	P558 S559 V560 F564 R565 F566 W581	P558-S562 WeakPolarHBondContact O-CB 3.28Å; P558-S562 PolarHBondContact O-N 2.97Å; S559-S562 WeakPolarHBondContact O-CB 3.46Å; S559-S562 PolarHBondContact O-N 3.3Å; S559-S562 VanDerWaalsContact O-N 3.12Å; V560-S562 PolarHBondContact O-N 3.29Å; S562-F564 PolarHBondContact O-N 2.72Å; S562-R565 PolarHBondContact O-N 3.22Å; S562-F566 PolarHBondContact O-N 3.19Å; S562-W581 PolarHBondContact OG-NE1 3.03Å
563	C	92.3	Very high	89.4	Confident	1 Å²	1	61.1 Å²	61.1	1%	0.007	34%	0.338	C	S	.	.	H	α-helix	trans	-59.7	-46.2	178.1	-170.1	0	0	0	0	111.6	L531 S559 V560 R565 F566 S567 W581	L531-C563 HydrophobicContact CD2-CB 3.61Å; S559-C563 PolarHBondContact O-N 3.11Å; V560-C563 PolarHBondContact O-N 3.13Å; V560-C563 VanDerWaalsContact O-N 3.13Å; C563-R565 VanDerWaalsContact C-N 3.34Å; C563-R565 PolarHBondContact O-N 3.35Å; C563-F566 WeakPolarHBondContact O-CB 3.35Å; C563-F566 PolarHBondContact O-N 2.68Å; C563-F566 VanDerWaalsContact O-N 3.1Å; C563-S567 PolarHBondContact O-N 2.87Å; C563-S567 PolarHBondContact O-OG 3.37Å; C563-W581 HydrophobicContact CB-CD2 3.6Å; C563-W581 HydrophobicContact CB-CE3 3.92Å; C563-W581 HydrophobicContact CB-CG 3.99Å; C563-W581 HydrophobicContact CB-CH2 4.33Å; C563-W581 HydrophobicContact CB-CZ2 4.02Å; C563-W581 HydrophobicContact CB-CZ3 4.28Å
564	F	92.9	Very high	89.6	Confident	8 Å²	8	63.7 Å²	63.7	4%	0.035	34%	0.344	C	S	.	.	H	α-helix	trans	-70.9	-25.5	-179.2	-84	-97	0	0	0	114	Q528 L531 V560 S562 S567 G569 K570 P571 I573	Q528-F564 HydrophobicContact CB-CE2 4.4Å; Q528-F564 HydrophobicContact CG-CB 4.37Å; Q528-F564 HydrophobicContact CG-CD1 3.63Å; Q528-F564 HydrophobicContact CG-CD2 3.59Å; Q528-F564 HydrophobicContact CG-CE1 3.78Å; Q528-F564 HydrophobicContact CG-CE2 3.72Å; Q528-F564 HydrophobicContact CG-CG 3.56Å; Q528-F564 HydrophobicContact CG-CZ 3.83Å; L531-F564 HydrophobicContact CB-CE2 4.13Å; L531-F564 HydrophobicContact CD2-CD2 3.96Å; L531-F564 HydrophobicContact CD2-CE2 3.65Å; V560-F564 HydrophobicContact CG1-CD2 4.07Å; V560-F564 HydrophobicContact CG1-CE2 4.38Å; V560-F564 WeakPolarHBondContact O-CD2 3.33Å; V560-F564 PolarHBondContact O-N 3Å; S562-F564 PolarHBondContact O-N 2.72Å; F564-S567 WeakPolarHBondContact CA-OG 3.36Å; F564-S567 PolarHBondContact O-OG 2.87Å; F564-G569 VanDerWaalsContact O-CA 3.22Å; F564-G569 WeakPolarHBondContact O-CA 3.49Å; F564-G569 PolarHBondContact O-N 3.48Å; F564-K570 WeakPolarHBondContact CD1-O 3.37Å; F564-P571 WeakPolarHBondContact CE1-O 3.5Å; F564-I573 HydrophobicContact CD1-CG2 4.27Å; F564-I573 HydrophobicContact CE1-CG2 3.88Å; F564-I573 HydrophobicContact CE2-CD1 3.95Å; F564-I573 HydrophobicContact CE2-CG1 4.23Å; F564-I573 HydrophobicContact CE2-CG2 4.36Å; F564-I573 HydrophobicContact CZ-CB 4.44Å; F564-I573 HydrophobicContact CZ-CD1 4.15Å; F564-I573 HydrophobicContact CZ-CG1 3.9Å; F564-I573 HydrophobicContact CZ-CG2 3.92Å
565	R	89.7	Confident	89.8	Confident	202 Å²	202	62.1 Å²	62.1	76%	0.762	34%	0.335	S	S	*	.	H	α-helix	trans	-74.4	-30.6	168.4	-75.8	170.6	-178.3	-175.3	0.3	112.6	R561 S562 C563	R561-R565 WeakPolarHBondContact O-CB 3.43Å; R561-R565 WeakPolarHBondContact O-CD 3.22Å; R561-R565 WeakPolarHBondContact O-CG 3.41Å; R561-R565 PolarHBondContact O-N 3.31Å; R561-R565 VanDerWaalsContact O-N 3.13Å; S562-R565 PolarHBondContact O-N 3.22Å; C563-R565 VanDerWaalsContact C-N 3.34Å; C563-R565 PolarHBondContact O-N 3.35Å
566	F	88.1	Confident	89.8	Confident	86 Å²	86	60.3 Å²	60.3	38%	0.377	33%	0.33	S	S	.	.	H	α-helix	trans	-71.2	-41.5	175.8	177	-99.2	0	0	0	111.9	S562 C563 T568 E580 W581 L584	S562-F566 PolarHBondContact O-N 3.19Å; C563-F566 WeakPolarHBondContact O-CB 3.35Å; C563-F566 PolarHBondContact O-N 2.68Å; C563-F566 VanDerWaalsContact O-N 3.1Å; F566-T568 PolarHBondContact O-N 3.19Å; F566-E580 HydrophobicContact CE1-CB 3.81Å; F566-E580 HydrophobicContact CZ-CB 4.13Å; F566-W581 HydrophobicContact CD1-CB 3.78Å; F566-W581 HydrophobicContact CD1-CG 4.48Å; F566-W581 HydrophobicContact CE1-CB 4.18Å; F566-W581 HydrophobicContact CG-CB 4.43Å; F566-L584 HydrophobicContact CD2-CD1 3.87Å; F566-L584 HydrophobicContact CE2-CD1 3.73Å; F566-L584 HydrophobicContact CZ-CD1 4.3Å
567	S	85.3	Confident	89.8	Confident	9 Å²	9	61.1 Å²	61.1	6%	0.063	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	35.4	175.2	60.5	0	0	0	0	114.5	C563 F564 G569 K570 I573	C563-S567 PolarHBondContact O-N 2.87Å; C563-S567 PolarHBondContact O-OG 3.37Å; F564-S567 WeakPolarHBondContact CA-OG 3.36Å; F564-S567 PolarHBondContact O-OG 2.87Å; S567-G569 PolarHBondContact O-N 3.48Å; S567-G569 VanDerWaalsContact O-N 3.1Å; S567-K570 WeakPolarHBondContact O-CG 3.05Å; S567-K570 PolarHBondContact O-N 2.83Å; S567-I573 VanDerWaalsContact CB-CG2 3.5Å; S567-I573 WeakPolarHBondContact OG-CG2 3.29Å
568	T	81.4	Confident	89.9	Confident	119 Å²	119	57.3 Å²	57.3	73%	0.73	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.5	26.3	-178.8	71.2	0	0	0	0	115.3	F566 K570	F566-T568 PolarHBondContact O-N 3.19Å; T568-K570 PolarHBondContact O-N 3.37Å
569	G	76.7	Confident	89.9	Confident	59 Å²	59	55 Å²	55	61%	0.608	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.8	16.5	177.4	0	0	0	0	0	115.4	F564 S567	F564-G569 VanDerWaalsContact O-CA 3.22Å; F564-G569 WeakPolarHBondContact O-CA 3.49Å; F564-G569 PolarHBondContact O-N 3.48Å; S567-G569 PolarHBondContact O-N 3.48Å; S567-G569 VanDerWaalsContact O-N 3.1Å
570	K	84.9	Confident	89.8	Confident	101 Å²	101	59.7 Å²	59.7	44%	0.439	32%	0.319	S	S	.	.			trans	-62.3	146.5	174.6	-67.6	175.6	-176.6	179.4	0	110.9	F564 S567 T568 V572	F564-K570 WeakPolarHBondContact CD1-O 3.37Å; S567-K570 WeakPolarHBondContact O-CG 3.05Å; S567-K570 PolarHBondContact O-N 2.83Å; T568-K570 PolarHBondContact O-N 3.37Å; K570-V572 WeakPolarHBondContact CB-O 3.4Å; K570-V572 PolarHBondContact O-N 3.24Å
571	P	86.6	Confident	89.7	Confident	102 Å²	102	59.7 Å²	59.7	66%	0.662	32%	0.319	S	S	*	.	S	Bend	trans	-71.5	-17.6	179.4	29.9	-36	0	0	0	113.8	F564	F564-P571 WeakPolarHBondContact CE1-O 3.5Å
572	V	91.9	Very high	89.6	Confident	54 Å²	54	54.5 Å²	54.5	33%	0.327	30%	0.3	S	S	.	.	S	Bend	trans	-133.8	153.8	174.7	-66.1	0	0	0	0	110.5	Q525 C526 D527 K570	Q525-V572 HydrophobicContact CB-CB 4.42Å; C526-V572 CarbonylContact O-C 3.55Å; C526-V572 WeakPolarHBondContact O-CA 3.38Å; D527-V572 HydrophobicContact CB-CG1 4.23Å; K570-V572 WeakPolarHBondContact CB-O 3.4Å; K570-V572 PolarHBondContact O-N 3.24Å
573	I	93.8	Very high	89.3	Confident	1 Å²	1	57.7 Å²	57.7	1%	0.005	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	159.8	175	62.2	174.3	0	0	0	111.5	F516 Q525 C526 L531 F564 S567 F578	F516-I573 HydrophobicContact CE2-CD1 4.16Å; F516-I573 HydrophobicContact CE2-CG1 4.12Å; F516-I573 HydrophobicContact CZ-CG1 4.38Å; Q525-I573 WeakPolarHBondContact CA-O 3.47Å; C526-I573 HydrophobicContact CB-CG1 4.16Å; C526-I573 PolarHBondContact N-O 2.96Å; C526-I573 WeakPolarHBondContact O-CG1 3.16Å; C526-I573 PolarHBondContact O-N 2.86Å; L531-I573 HydrophobicContact CD2-CD1 4.05Å; F564-I573 HydrophobicContact CD1-CG2 4.27Å; F564-I573 HydrophobicContact CE1-CG2 3.88Å; F564-I573 HydrophobicContact CE2-CD1 3.95Å; F564-I573 HydrophobicContact CE2-CG1 4.23Å; F564-I573 HydrophobicContact CE2-CG2 4.36Å; F564-I573 HydrophobicContact CZ-CB 4.44Å; F564-I573 HydrophobicContact CZ-CD1 4.15Å; F564-I573 HydrophobicContact CZ-CG1 3.9Å; F564-I573 HydrophobicContact CZ-CG2 3.92Å; S567-I573 VanDerWaalsContact CB-CG2 3.5Å; S567-I573 WeakPolarHBondContact OG-CG2 3.29Å; I573-F578 HydrophobicContact CD1-CB 4.3Å
574	E	92.6	Very high	89.1	Confident	76 Å²	76	62.9 Å²	62.9	36%	0.355	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	160.6	176.6	-69.5	160.5	171.7	0	0	110.1	Q525 S576 Q577 F578	Q525-E574 HydrophobicContact CG-CG 3.84Å; Q525-E574 PolarHBondContact NE2-OE1 3.21Å; Q525-E574 VanDerWaalsContact NE2-OE1 3.07Å; E574-S576 PolarHBondContact O-N 2.88Å; E574-S576 VanDerWaalsContact O-N 3.1Å; E574-Q577 PolarHBondContact O-N 3.26Å; E574-Q577 PolarHBondContact OE2-NE2 3.46Å; E574-F578 PolarHBondContact O-N 2.9Å
575	A	91.8	Very high	88.8	Confident	32 Å²	32	63.9 Å²	63.9	26%	0.264	35%	0.345	S	S	.	.	H	α-helix	trans	-54.7	-33.4	-177.5	0	0	0	0	0	113.5	F516 L579	F516-A575 HydrophobicContact CD1-CB 3.62Å; F516-A575 HydrophobicContact CE1-CB 3.77Å; F516-A575 HydrophobicContact CG-CB 4.3Å; A575-L579 WeakPolarHBondContact O-CB 3.37Å; A575-L579 WeakPolarHBondContact O-CG 3.44Å; A575-L579 PolarHBondContact O-N 3.46Å
576	S	91.6	Very high	88.7	Confident	62 Å²	62	55 Å²	55	43%	0.434	31%	0.314	S	S	.	.	H	α-helix	trans	-59.1	-51.7	173.6	47.7	0	0	0	0	112.3	E574 F578 L579 E580	E574-S576 PolarHBondContact O-N 2.88Å; E574-S576 VanDerWaalsContact O-N 3.1Å; S576-F578 PolarHBondContact O-N 3.48Å; S576-L579 PolarHBondContact O-N 3.4Å; S576-E580 WeakPolarHBondContact O-CG 3.45Å; S576-E580 PolarHBondContact O-N 3Å
577	Q	92.3	Very high	88.6	Confident	25 Å²	25	54 Å²	54	12%	0.117	31%	0.31	C	S	.	.	H	α-helix	trans	-67.1	-37.4	-178.2	-57	168.6	34.1	0	0	111.1	E574 W581	E574-Q577 PolarHBondContact O-N 3.26Å; E574-Q577 PolarHBondContact OE2-NE2 3.46Å; Q577-W581 PolarHBondContact O-N 3.12Å; Q577-W581 VanDerWaalsContact O-N 3.07Å
578	F	93.1	Very high	88.8	Confident	1 Å²	1	53.7 Å²	53.7	0%	0.004	31%	0.308	C	S	.	.	H	α-helix	trans	-62.7	-47.8	172.4	172.8	-110.8	0	0	0	112.1	L512 F516 L531 L534 I573 E574 S576 E580 W581 V582	L512-F578 HydrophobicContact CB-CE1 4.24Å; L512-F578 HydrophobicContact CD2-CE1 4.2Å; L512-F578 HydrophobicContact CD2-CZ 4.24Å; F516-F578 HydrophobicContact CB-CD1 3.87Å; F516-F578 HydrophobicContact CB-CE1 3.98Å; F516-F578 HydrophobicContact CD2-CB 3.68Å; F516-F578 AromaticContact CD2-CD1 3.53Å; F516-F578 HydrophobicContact CD2-CD1 3.53Å; F516-F578 HydrophobicContact CD2-CD2 4.15Å; F516-F578 HydrophobicContact CD2-CE1 4.16Å; F516-F578 AromaticContact CD2-CG 3.51Å; F516-F578 HydrophobicContact CD2-CG 3.51Å; F516-F578 HydrophobicContact CE2-CB 3.69Å; F516-F578 HydrophobicContact CE2-CD1 4.41Å; F516-F578 AromaticContact CE2-CG 3.99Å; F516-F578 HydrophobicContact CE2-CG 3.99Å; F516-F578 AromaticContact CG-CD1 3.99Å; F516-F578 HydrophobicContact CG-CD1 3.99Å; F516-F578 HydrophobicContact CG-CG 4.39Å; L531-F578 HydrophobicContact CD1-CD2 3.94Å; L531-F578 HydrophobicContact CD1-CE2 3.72Å; L534-F578 HydrophobicContact CD2-CE1 4.49Å; L534-F578 HydrophobicContact CD2-CE2 4.44Å; L534-F578 HydrophobicContact CD2-CZ 3.94Å; I573-F578 HydrophobicContact CD1-CB 4.3Å; E574-F578 PolarHBondContact O-N 2.9Å; S576-F578 PolarHBondContact O-N 3.48Å; F578-E580 PolarHBondContact O-N 3.5Å; F578-W581 HydrophobicContact CD2-CE3 4.19Å; F578-W581 HydrophobicContact CE2-CE3 4.2Å; F578-W581 HydrophobicContact CE2-CZ3 4.14Å; F578-W581 PolarHBondContact O-N 3.37Å; F578-V582 HydrophobicContact CD2-CG2 4.09Å; F578-V582 HydrophobicContact CE1-CG2 4.15Å; F578-V582 HydrophobicContact CE2-CG2 3.65Å; F578-V582 HydrophobicContact CZ-CG2 3.7Å; F578-V582 WeakPolarHBondContact O-CG2 3.32Å; F578-V582 PolarHBondContact O-N 3.36Å
579	L	92.6	Very high	89.2	Confident	21 Å²	21	48.1 Å²	48.1	11%	0.11	27%	0.274	C	S	.	.	H	α-helix	trans	-62.6	-41	176.9	-72.1	170	0	0	0	112.2	K509 L512 Q513 A575 S576 W581 V582 N583	K509-L579 HydrophobicContact CG-CD1 4.49Å; K509-L579 HydrophobicContact CG-CD2 4.29Å; L512-L579 HydrophobicContact CB-CD2 3.75Å; L512-L579 HydrophobicContact CD1-CD2 4.41Å; Q513-L579 HydrophobicContact CG-CD1 3.66Å; Q513-L579 HydrophobicContact CG-CD2 4.16Å; Q513-L579 HydrophobicContact CG-CG 4.31Å; A575-L579 WeakPolarHBondContact O-CB 3.37Å; A575-L579 WeakPolarHBondContact O-CG 3.44Å; A575-L579 PolarHBondContact O-N 3.46Å; S576-L579 PolarHBondContact O-N 3.4Å; L579-W581 VanDerWaalsContact C-N 3.3Å; L579-W581 PolarHBondContact O-N 3.4Å; L579-V582 PolarHBondContact O-N 3.42Å; L579-N583 WeakPolarHBondContact O-CB 3.38Å; L579-N583 VanDerWaalsContact O-CG 3.24Å; L579-N583 PolarHBondContact O-N 2.79Å; L579-N583 PolarHBondContact O-ND2 2.8Å
580	E	91.1	Very high	89.9	Confident	116 Å²	116	45.7 Å²	45.7	54%	0.542	25%	0.247	S	C	.	.	H	α-helix	trans	-59.4	-40.9	174.3	-75.8	179	-174.8	0	0	111.9	F566 S576 F578	F566-E580 HydrophobicContact CE1-CB 3.81Å; F566-E580 HydrophobicContact CZ-CB 4.13Å; S576-E580 WeakPolarHBondContact O-CG 3.45Å; S576-E580 PolarHBondContact O-N 3Å; F578-E580 PolarHBondContact O-N 3.5Å
581	W	91.9	Very high	90.4	Very high	4 Å²	4	40.9 Å²	40.9	2%	0.015	23%	0.226	C	C	.	.	H	α-helix	trans	-66.7	-45.6	173.5	177.1	74.6	0	0	0	112.7	L535 S559 S562 C563 F566 Q577 F578 L579 N583 L584 P586	L535-W581 HydrophobicContact CD1-CH2 4.24Å; L535-W581 HydrophobicContact CD2-CH2 4.47Å; L535-W581 HydrophobicContact CD2-CZ3 4.45Å; S559-W581 WeakPolarHBondContact O-CZ2 3.4Å; S562-W581 PolarHBondContact OG-NE1 3.03Å; C563-W581 HydrophobicContact CB-CD2 3.6Å; C563-W581 HydrophobicContact CB-CE3 3.92Å; C563-W581 HydrophobicContact CB-CG 3.99Å; C563-W581 HydrophobicContact CB-CH2 4.33Å; C563-W581 HydrophobicContact CB-CZ2 4.02Å; C563-W581 HydrophobicContact CB-CZ3 4.28Å; F566-W581 HydrophobicContact CD1-CB 3.78Å; F566-W581 HydrophobicContact CD1-CG 4.48Å; F566-W581 HydrophobicContact CE1-CB 4.18Å; F566-W581 HydrophobicContact CG-CB 4.43Å; Q577-W581 PolarHBondContact O-N 3.12Å; Q577-W581 VanDerWaalsContact O-N 3.07Å; F578-W581 HydrophobicContact CD2-CE3 4.19Å; F578-W581 HydrophobicContact CE2-CE3 4.2Å; F578-W581 HydrophobicContact CE2-CZ3 4.14Å; F578-W581 PolarHBondContact O-N 3.37Å; L579-W581 VanDerWaalsContact C-N 3.3Å; L579-W581 PolarHBondContact O-N 3.4Å; W581-N583 VanDerWaalsContact C-N 3.27Å; W581-N583 PolarHBondContact O-N 3.18Å; W581-L584 VanDerWaalsContact O-CB 3.27Å; W581-L584 WeakPolarHBondContact O-CB 3.31Å; W581-L584 PolarHBondContact O-N 3.01Å; W581-P586 HydrophobicContact CD2-CB 4.39Å; W581-P586 HydrophobicContact CD2-CG 4.03Å; W581-P586 HydrophobicContact CE3-CG 4Å; W581-P586 HydrophobicContact CH2-CB 3.82Å; W581-P586 HydrophobicContact CH2-CG 3.7Å; W581-P586 HydrophobicContact CZ2-CB 3.43Å; W581-P586 VanDerWaalsContact CZ2-CB 3.43Å; W581-P586 HydrophobicContact CZ2-CG 3.72Å; W581-P586 HydrophobicContact CZ3-CB 4.45Å; W581-P586 HydrophobicContact CZ3-CG 3.84Å
582	V	88.6	Confident	90.7	Very high	10 Å²	10	36.2 Å²	36.2	6%	0.061	20%	0.196	C	C	.	.	H	α-helix	trans	-67.2	-28.2	179.2	-177	0	0	0	0	112.1	L512 F578 L579 L584 E585 P586 M589	L512-V582 HydrophobicContact CD1-CB 4.14Å; L512-V582 HydrophobicContact CD1-CG1 3.51Å; L512-V582 HydrophobicContact CD2-CG1 4.08Å; L512-V582 HydrophobicContact CD2-CG2 4.46Å; L512-V582 HydrophobicContact CG-CG1 4.46Å; F578-V582 HydrophobicContact CD2-CG2 4.09Å; F578-V582 HydrophobicContact CE1-CG2 4.15Å; F578-V582 HydrophobicContact CE2-CG2 3.65Å; F578-V582 HydrophobicContact CZ-CG2 3.7Å; F578-V582 WeakPolarHBondContact O-CG2 3.32Å; F578-V582 PolarHBondContact O-N 3.36Å; L579-V582 PolarHBondContact O-N 3.42Å; V582-L584 PolarHBondContact O-N 2.87Å; V582-E585 WeakPolarHBondContact O-CA 3.48Å; V582-E585 PolarHBondContact O-N 2.78Å; V582-P586 VanDerWaalsContact O-CD 3.31Å; V582-P586 WeakPolarHBondContact O-CD 3.42Å; V582-M589 HydrophobicContact CG1-CB 4.36Å
583	N	87	Confident	90.7	Very high	122 Å²	122	34.6 Å²	34.6	65%	0.652	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65	-13	171.6	-78.8	-46.9	0	0	0	113.9	L579 W581 E585	L579-N583 WeakPolarHBondContact O-CB 3.38Å; L579-N583 VanDerWaalsContact O-CG 3.24Å; L579-N583 PolarHBondContact O-N 2.79Å; L579-N583 PolarHBondContact O-ND2 2.8Å; W581-N583 VanDerWaalsContact C-N 3.27Å; W581-N583 PolarHBondContact O-N 3.18Å; N583-E585 PolarHBondContact O-N 2.83Å
584	L	86.4	Confident	90.6	Very high	111 Å²	111	34.5 Å²	34.5	58%	0.581	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.7	-0.7	168.6	-54.4	178.7	0	0	0	113.3	F566 W581 V582	F566-L584 HydrophobicContact CD2-CD1 3.87Å; F566-L584 HydrophobicContact CE2-CD1 3.73Å; F566-L584 HydrophobicContact CZ-CD1 4.3Å; W581-L584 VanDerWaalsContact O-CB 3.27Å; W581-L584 WeakPolarHBondContact O-CB 3.31Å; W581-L584 PolarHBondContact O-N 3.01Å; V582-L584 PolarHBondContact O-N 2.87Å
585	E	86.8	Confident	90.8	Very high	29 Å²	29	31 Å²	31	14%	0.136	17%	0.171	C	C	.	.			trans	56.6	56.8	-175.5	-60.5	-176.7	100.9	0	0	113.3	V582 N583 V590 R597 R689	V582-E585 WeakPolarHBondContact O-CA 3.48Å; V582-E585 PolarHBondContact O-N 2.78Å; N583-E585 PolarHBondContact O-N 2.83Å; E585-V590 HydrophobicContact CB-CB 4.39Å; E585-V590 HydrophobicContact CB-CG2 4Å; E585-R597 IonicContact OE1-CZ 3.81Å; E585-R597 IonicContact OE1-NH1 3.16Å; E585-R597 PolarHBondContact OE1-NH1 3.37Å; E585-R597 IonicContact OE1-NH2 3.68Å; E585-R597 PolarHBondContact OE1-NH2 3.17Å; E585-R597 IonicContact OE2-NH2 2.7Å; E585-R689 IonicContact OE2-CZ 2.93Å; E585-R689 IonicContact OE2-NE 2.93Å; E585-R689 PolarHBondContact OE2-NE 2.95Å; E585-R689 IonicContact OE2-NH1 3.98Å; E585-R689 IonicContact OE2-NH2 2.75Å; E585-R689 PolarHBondContact OE2-NH2 2.75Å; E585-R689 VanDerWaalsContact OE2-NH2 3.12Å
586	P	88.9	Confident	90.8	Very high	16 Å²	16	31.7 Å²	31.7	10%	0.104	17%	0.169	C	C	.	.			trans	-64.2	146.4	-177.8	28.2	-34.1	0	0	0	111.6	W581 V582 S588 M589 V590	W581-P586 HydrophobicContact CD2-CB 4.39Å; W581-P586 HydrophobicContact CD2-CG 4.03Å; W581-P586 HydrophobicContact CE3-CG 4Å; W581-P586 HydrophobicContact CH2-CB 3.82Å; W581-P586 HydrophobicContact CH2-CG 3.7Å; W581-P586 HydrophobicContact CZ2-CB 3.43Å; W581-P586 VanDerWaalsContact CZ2-CB 3.43Å; W581-P586 HydrophobicContact CZ2-CG 3.72Å; W581-P586 HydrophobicContact CZ3-CB 4.45Å; W581-P586 HydrophobicContact CZ3-CG 3.84Å; V582-P586 VanDerWaalsContact O-CD 3.31Å; V582-P586 WeakPolarHBondContact O-CD 3.42Å; P586-S588 PolarHBondContact O-N 3.07Å; P586-M589 HydrophobicContact CG-CB 4.34Å; P586-M589 PolarHBondContact O-N 3.3Å; P586-V590 PolarHBondContact O-N 2.86Å
587	Q	86.1	Confident	90.8	Very high	63 Å²	63	29.5 Å²	29.5	29%	0.294	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-26.2	-163.1	-164.1	58	41.1	0	0	114.4	A550 F551 L692	A550-Q587 PolarHBondContact O-NE2 3.26Å; F551-Q587 WeakPolarHBondContact CA-O 3.45Å; F551-Q587 WeakPolarHBondContact CB-O 3.33Å; F551-Q587 VanDerWaalsContact CD1-O 3.27Å; F551-Q587 WeakPolarHBondContact CD1-O 3.24Å; F551-Q587 CarbonylContact O-C 3.58Å; Q587-L692 HydrophobicContact CG-CD1 4.35Å
588	S	88.8	Confident	90.8	Very high	3 Å²	3	28.5 Å²	28.5	2%	0.021	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-22.5	175.1	51	0	0	0	0	114.7	F551 S559 P586 W591	F551-S588 WeakPolarHBondContact O-CA 3.45Å; F551-S588 PolarHBondContact O-N 3.35Å; S559-S588 WeakPolarHBondContact CB-OG 3.37Å; S559-S588 PolarHBondContact OG-OG 2.82Å; P586-S588 PolarHBondContact O-N 3.07Å; S588-W591 PolarHBondContact O-NE1 3.2Å
589	M	91	Very high	90.8	Very high	3 Å²	3	30.3 Å²	30.3	2%	0.015	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.2	-10.9	-172.3	-62.3	-62.3	-73.7	0	0	114.2	L512 L535 A538 V582 P586 W591 L592	L512-M589 HydrophobicContact CD2-CE 3.82Å; L535-M589 HydrophobicContact CD2-CG 3.75Å; L535-M589 HydrophobicContact CD2-SD 3.65Å; A538-M589 HydrophobicContact CB-CE 4.1Å; A538-M589 HydrophobicContact CB-SD 3.66Å; V582-M589 HydrophobicContact CG1-CB 4.36Å; P586-M589 HydrophobicContact CG-CB 4.34Å; P586-M589 PolarHBondContact O-N 3.3Å; M589-W591 PolarHBondContact O-N 3.27Å; M589-L592 HydrophobicContact CE-CD2 4.47Å; M589-L592 PolarHBondContact O-N 2.77Å
590	V	91.3	Very high	90.7	Very high	7 Å²	7	32 Å²	32	4%	0.042	17%	0.166	C	C	.	.	H	α-helix	trans	-54	-30.7	-176	61.9	0	0	0	0	113.9	A402 F551 E585 P586 L592 A593 V594	A402-V590 HydrophobicContact CB-CG1 4.36Å; A402-V590 HydrophobicContact CB-CG2 4.42Å; F551-V590 HydrophobicContact CD1-CG1 3.99Å; F551-V590 HydrophobicContact CE1-CG1 3.96Å; E585-V590 HydrophobicContact CB-CB 4.39Å; E585-V590 HydrophobicContact CB-CG2 4Å; P586-V590 PolarHBondContact O-N 2.86Å; V590-L592 VanDerWaalsContact C-N 3.27Å; V590-L592 PolarHBondContact O-N 2.7Å; V590-A593 PolarHBondContact O-N 2.86Å; V590-V594 HydrophobicContact CG2-CG2 4.04Å; V590-V594 WeakPolarHBondContact O-CG2 3.26Å; V590-V594 PolarHBondContact O-N 3.3Å
591	W	94.1	Very high	90.7	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-58.8	-35	177.4	59.2	-93.9	0	0	0	113.1	T405 L409 C502 A538 V541 F551 S588 M589 V594 L595	T405-W591 HydrophobicContact CG2-CB 4.29Å; L409-W591 HydrophobicContact CD1-CD2 4.32Å; L409-W591 HydrophobicContact CD1-CE3 3.39Å; L409-W591 HydrophobicContact CD1-CZ3 3.78Å; C502-W591 HydrophobicContact CB-CH2 4.29Å; A538-W591 HydrophobicContact CB-CZ2 4.3Å; A538-W591 VanDerWaalsContact O-CZ2 3.25Å; A538-W591 WeakPolarHBondContact O-CZ2 3.43Å; V541-W591 HydrophobicContact CB-CH2 4Å; V541-W591 HydrophobicContact CB-CZ2 4.34Å; V541-W591 HydrophobicContact CB-CZ3 4.48Å; V541-W591 HydrophobicContact CG1-CH2 3.9Å; V541-W591 HydrophobicContact CG1-CZ3 3.88Å; V541-W591 HydrophobicContact CG2-CH2 4.41Å; F551-W591 HydrophobicContact CE1-CB 3.91Å; F551-W591 HydrophobicContact CZ-CB 3.89Å; S588-W591 PolarHBondContact O-NE1 3.2Å; M589-W591 PolarHBondContact O-N 3.27Å; W591-V594 PolarHBondContact O-N 3.22Å; W591-L595 WeakPolarHBondContact O-CB 3.42Å; W591-L595 PolarHBondContact O-N 3.11Å
592	L	93.4	Very high	90.7	Very high	5 Å²	5	30.2 Å²	30.2	3%	0.026	16%	0.158	C	C	.	.	H	α-helix	trans	-73.5	-40.2	179.8	-174.7	64	0	0	0	111.3	V508 L512 M589 V590 V594 L595 H596	V508-L592 HydrophobicContact CG2-CD2 4.42Å; V508-L592 HydrophobicContact CG2-CG 4.12Å; L512-L592 HydrophobicContact CD2-CD2 4.15Å; L512-L592 HydrophobicContact CG-CD2 4.49Å; M589-L592 HydrophobicContact CE-CD2 4.47Å; M589-L592 PolarHBondContact O-N 2.77Å; V590-L592 VanDerWaalsContact C-N 3.27Å; V590-L592 PolarHBondContact O-N 2.7Å; L592-V594 VanDerWaalsContact C-N 3.34Å; L592-L595 HydrophobicContact CD1-CD2 4.43Å; L592-L595 PolarHBondContact O-N 3.3Å; L592-H596 PolarHBondContact O-N 3.36Å; L592-H596 VanDerWaalsContact O-N 3.12Å
593	A	91.2	Very high	90.7	Very high	19 Å²	19	37.3 Å²	37.3	16%	0.157	19%	0.19	C	C	.	.	H	α-helix	trans	-66.5	-34.5	173.8	0	0	0	0	0	112.4	V590 R597	V590-A593 PolarHBondContact O-N 2.86Å; A593-R597 WeakPolarHBondContact O-CG 3.43Å; A593-R597 PolarHBondContact O-N 3.32Å; A593-R597 PolarHBondContact O-NH1 3.02Å; A593-R597 VanDerWaalsContact O-NH1 3.1Å
594	V	93.1	Very high	90.9	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-75.2	-38	174.5	179.5	0	0	0	0	111.3	A402 Y403 A406 V590 W591 L592 H596 R597 V598	A402-V594 HydrophobicContact CB-CG2 4.16Å; Y403-V594 HydrophobicContact CD1-CG1 3.64Å; Y403-V594 HydrophobicContact CE1-CG1 3.92Å; Y403-V594 HydrophobicContact CG-CG1 4.03Å; A406-V594 HydrophobicContact CB-CB 3.97Å; A406-V594 HydrophobicContact CB-CG1 3.59Å; V590-V594 HydrophobicContact CG2-CG2 4.04Å; V590-V594 WeakPolarHBondContact O-CG2 3.26Å; V590-V594 PolarHBondContact O-N 3.3Å; W591-V594 PolarHBondContact O-N 3.22Å; L592-V594 VanDerWaalsContact C-N 3.34Å; V594-H596 VanDerWaalsContact C-N 3.32Å; V594-H596 PolarHBondContact O-N 3.38Å; V594-R597 PolarHBondContact O-N 3.09Å; V594-R597 VanDerWaalsContact O-N 3.1Å; V594-V598 HydrophobicContact CG1-CG2 4.35Å; V594-V598 WeakPolarHBondContact O-CG2 3.28Å; V594-V598 PolarHBondContact O-N 2.91Å
595	L	95.1	Very high	91.1	Very high	3 Å²	3	33.7 Å²	33.7	2%	0.016	17%	0.165	C	C	.	.	H	α-helix	trans	-55.2	-46.9	172.7	173.5	60	0	0	0	111.4	A406 L409 R410 L503 W591 L592 R597 V598 T599	A406-L595 HydrophobicContact CB-CB 4.22Å; A406-L595 WeakPolarHBondContact O-CD1 3.45Å; L409-L595 HydrophobicContact CB-CD1 4.24Å; L409-L595 HydrophobicContact CB-CD2 4.17Å; R410-L595 HydrophobicContact CB-CD1 3.81Å; L503-L595 HydrophobicContact CD2-CD2 4.38Å; W591-L595 WeakPolarHBondContact O-CB 3.42Å; W591-L595 PolarHBondContact O-N 3.11Å; L592-L595 HydrophobicContact CD1-CD2 4.43Å; L592-L595 PolarHBondContact O-N 3.3Å; L595-R597 VanDerWaalsContact C-N 3.34Å; L595-R597 PolarHBondContact O-N 2.76Å; L595-V598 WeakPolarHBondContact O-CB 3.38Å; L595-V598 PolarHBondContact O-N 3.34Å; L595-V598 VanDerWaalsContact O-N 3.16Å; L595-T599 PolarHBondContact O-N 2.95Å; L595-T599 PolarHBondContact O-OG1 2.75Å
596	H	91.8	Very high	91.1	Very high	46 Å²	46	32.6 Å²	32.6	21%	0.213	16%	0.16	C	C	.	.	H	α-helix	trans	-59.1	-42.3	175.2	-170.1	-108.1	0	0	0	112.6	V508 L592 V594 T599 I600	V508-H596 HydrophobicContact CB-CB 3.98Å; V508-H596 HydrophobicContact CG1-CB 4.27Å; L592-H596 PolarHBondContact O-N 3.36Å; L592-H596 VanDerWaalsContact O-N 3.12Å; V594-H596 VanDerWaalsContact C-N 3.32Å; V594-H596 PolarHBondContact O-N 3.38Å; H596-T599 PolarHBondContact O-N 3.4Å; H596-I600 WeakPolarHBondContact O-CG1 3.45Å; H596-I600 PolarHBondContact O-N 3.06Å
597	R	91.8	Very high	91.1	Very high	15 Å²	15	39.9 Å²	39.9	6%	0.057	19%	0.193	C	C	.	.	H	α-helix	trans	-65.6	-37.5	174.8	-67.6	-161.8	-62.9	-81.9	28.7	112.9	E585 A593 V594 L595 I600 A601 F621 E655 Y657 Y691	E585-R597 IonicContact OE1-CZ 3.81Å; E585-R597 IonicContact OE1-NH1 3.16Å; E585-R597 PolarHBondContact OE1-NH1 3.37Å; E585-R597 IonicContact OE1-NH2 3.68Å; E585-R597 PolarHBondContact OE1-NH2 3.17Å; E585-R597 IonicContact OE2-NH2 2.7Å; A593-R597 WeakPolarHBondContact O-CG 3.43Å; A593-R597 PolarHBondContact O-N 3.32Å; A593-R597 PolarHBondContact O-NH1 3.02Å; A593-R597 VanDerWaalsContact O-NH1 3.1Å; V594-R597 PolarHBondContact O-N 3.09Å; V594-R597 VanDerWaalsContact O-N 3.1Å; L595-R597 VanDerWaalsContact C-N 3.34Å; L595-R597 PolarHBondContact O-N 2.76Å; R597-I600 PolarHBondContact O-N 3.45Å; R597-A601 VanDerWaalsContact O-CB 3.22Å; R597-A601 WeakPolarHBondContact O-CB 3.16Å; R597-A601 PolarHBondContact O-N 3.39Å; R597-F621 HydrophobicContact CB-CE1 3.92Å; R597-F621 HydrophobicContact CB-CZ 3.88Å; R597-E655 WeakPolarHBondContact CD-OE1 3.16Å; R597-E655 IonicContact CZ-OE1 2.78Å; R597-E655 IonicContact NE-OE1 3.94Å; R597-E655 PolarHBondContact NE-OE1 3.44Å; R597-E655 IonicContact NH2-OE1 2.73Å; R597-Y657 HydrophobicContact CB-CD2 4.39Å; R597-Y657 HydrophobicContact CB-CG 4.27Å; R597-Y657 VanDerWaalsContact CD-CE1 3.43Å; R597-Y657 HydrophobicContact CG-CD1 4.17Å; R597-Y657 HydrophobicContact CG-CD2 4.2Å; R597-Y657 HydrophobicContact CG-CE1 4.09Å; R597-Y657 HydrophobicContact CG-CE2 4.11Å; R597-Y657 HydrophobicContact CG-CG 4.23Å; R597-Y691 PolarHBondContact NH2-OH 3.28Å
598	V	93.3	Very high	91.2	Very high	5 Å²	5	38.4 Å²	38.4	3%	0.03	19%	0.188	C	C	.	.	H	α-helix	trans	-60.6	-49.2	174.6	173.4	0	0	0	0	110	A406 M407 R410 V594 L595 I600 A601 E602 F621	A406-V598 HydrophobicContact CB-CG2 3.99Å; M407-V598 HydrophobicContact CE-CG2 4.06Å; M407-V598 HydrophobicContact CG-CG1 4.15Å; M407-V598 HydrophobicContact CG-CG2 4.09Å; R410-V598 HydrophobicContact CB-CG1 4.09Å; R410-V598 HydrophobicContact CG-CG1 3.95Å; V594-V598 HydrophobicContact CG1-CG2 4.35Å; V594-V598 WeakPolarHBondContact O-CG2 3.28Å; V594-V598 PolarHBondContact O-N 2.91Å; L595-V598 WeakPolarHBondContact O-CB 3.38Å; L595-V598 PolarHBondContact O-N 3.34Å; L595-V598 VanDerWaalsContact O-N 3.16Å; V598-I600 VanDerWaalsContact C-N 3.33Å; V598-I600 PolarHBondContact O-N 3.03Å; V598-A601 PolarHBondContact O-N 3.44Å; V598-E602 WeakPolarHBondContact O-CG 3.08Å; V598-E602 PolarHBondContact O-N 3.26Å; V598-F621 HydrophobicContact CB-CE2 4.37Å; V598-F621 HydrophobicContact CG2-CE2 3.85Å; V598-F621 HydrophobicContact CG2-CZ 4.02Å
599	T	92.6	Very high	91.3	Very high	38 Å²	38	44.3 Å²	44.3	23%	0.233	21%	0.213	C	C	.	.	H	α-helix	trans	-56.4	-43.4	179.4	-62.5	0	0	0	0	112.8	R410 L595 H596	R410-T599 WeakPolarHBondContact CD-OG1 3.41Å; R410-T599 PolarHBondContact NE-OG1 3.3Å; L595-T599 PolarHBondContact O-N 2.95Å; L595-T599 PolarHBondContact O-OG1 2.75Å; H596-T599 PolarHBondContact O-N 3.4Å
600	I	90.9	Very high	91.3	Very high	58 Å²	58	44.1 Å²	44.1	30%	0.297	21%	0.213	S	C	.	.	H	α-helix	trans	-68.7	-47.9	175.5	-60.2	168.4	0	0	0	110.6	H596 R597 V598 E602 Q603 Y657 T658	H596-I600 WeakPolarHBondContact O-CG1 3.45Å; H596-I600 PolarHBondContact O-N 3.06Å; R597-I600 PolarHBondContact O-N 3.45Å; V598-I600 VanDerWaalsContact C-N 3.33Å; V598-I600 PolarHBondContact O-N 3.03Å; I600-E602 VanDerWaalsContact C-N 3.29Å; I600-E602 PolarHBondContact O-N 3.39Å; I600-Q603 PolarHBondContact O-N 2.96Å; I600-Y657 HydrophobicContact CB-CD2 4.22Å; I600-Y657 HydrophobicContact CD1-CD2 4.29Å; I600-Y657 HydrophobicContact CD1-CE2 4.17Å; I600-Y657 HydrophobicContact CG2-CD2 4.1Å; I600-Y657 WeakPolarHBondContact CG2-O 3.36Å; I600-T658 HydrophobicContact CG2-CG2 4.26Å
601	A	91.7	Very high	91.2	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-58.9	-37.3	-175.7	0	0	0	0	0	113	R597 V598 Q603 V604 G620 F621	R597-A601 VanDerWaalsContact O-CB 3.22Å; R597-A601 WeakPolarHBondContact O-CB 3.16Å; R597-A601 PolarHBondContact O-N 3.39Å; V598-A601 PolarHBondContact O-N 3.44Å; A601-Q603 PolarHBondContact O-N 3.35Å; A601-Q603 VanDerWaalsContact O-N 3.07Å; A601-V604 PolarHBondContact O-N 3.02Å; A601-G620 VanDerWaalsContact O-CA 3.26Å; A601-G620 WeakPolarHBondContact O-CA 3.49Å; A601-F621 HydrophobicContact CB-CD1 4.13Å; A601-F621 HydrophobicContact CB-CD2 3.76Å; A601-F621 HydrophobicContact CB-CE1 4.12Å; A601-F621 HydrophobicContact CB-CE2 3.71Å; A601-F621 HydrophobicContact CB-CG 3.98Å; A601-F621 HydrophobicContact CB-CZ 3.92Å
602	E	90.6	Very high	90.9	Very high	81 Å²	81	47.4 Å²	47.4	38%	0.379	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.8	-35.1	-179.8	-80.5	-177	149.9	0	0	114	R410 K414 V598 I600	R410-E602 WeakPolarHBondContact CG-OE1 3.21Å; R410-E602 IonicContact CZ-OE2 2.85Å; R410-E602 VanDerWaalsContact CZ-OE2 3.26Å; R410-E602 IonicContact NE-OE1 2.76Å; R410-E602 IonicContact NE-OE2 3.74Å; R410-E602 PolarHBondContact NE-OE2 2.97Å; R410-E602 IonicContact NH2-OE2 3.8Å; R410-E602 PolarHBondContact NH2-OE2 3.45Å; K414-E602 IonicContact NZ-OE1 3.9Å; K414-E602 PolarHBondContact NZ-OE1 2.95Å; K414-E602 IonicContact NZ-OE2 2.82Å; K414-E602 PolarHBondContact NZ-OE2 2.87Å; V598-E602 WeakPolarHBondContact O-CG 3.08Å; V598-E602 PolarHBondContact O-N 3.26Å; I600-E602 VanDerWaalsContact C-N 3.29Å; I600-E602 PolarHBondContact O-N 3.39Å
603	Q	88.3	Confident	90.7	Very high	159 Å²	159	50 Å²	50	74%	0.743	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.4	-16.6	-177.7	-54.9	-169.3	13.4	0	0	113	I600 A601	I600-Q603 PolarHBondContact O-N 2.96Å; A601-Q603 PolarHBondContact O-N 3.35Å; A601-Q603 VanDerWaalsContact O-N 3.07Å
604	V	91.1	Very high	90.8	Very high	13 Å²	13	56.8 Å²	56.8	8%	0.079	27%	0.272	C	S	.	.			trans	-86	142.3	-170	174.7	0	0	0	0	112.5	A601 G620 Y657 P659	A601-V604 PolarHBondContact O-N 3.02Å; V604-G620 PolarHBondContact O-N 3.26Å; V604-G620 VanDerWaalsContact O-N 3.12Å; V604-Y657 WeakPolarHBondContact CG2-O 3.45Å; V604-P659 HydrophobicContact CG1-CG 4.3Å; V604-P659 HydrophobicContact CG2-CG 4.18Å
605	K	90.4	Very high	90.7	Very high	145 Å²	145	61.4 Å²	61.4	63%	0.63	29%	0.293	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131	117.4	179.4	-60	169.7	-169.2	162.7	0	108.9	I618	K605-I618 CarbonylContact C-O 3.51Å; K605-I618 WeakPolarHBondContact CA-O 3.46Å
606	H	88.3	Confident	90.4	Very high	6 Å²	6	64.9 Å²	64.9	3%	0.028	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	126.6	174.4	-54.1	-93.8	0	0	0	109.7	T608 P617 I618 R622 T658 T660	H606-T608 PolarHBondContact O-N 3.43Å; H606-P617 WeakPolarHBondContact O-CA 3.01Å; H606-P617 WeakPolarHBondContact O-CB 3.48Å; H606-I618 HydrophobicContact CB-CB 4.35Å; H606-I618 PolarHBondContact N-O 3.5Å; H606-I618 PolarHBondContact O-N 3.45Å; H606-R622 HydrophobicContact CB-CB 4.49Å; H606-R622 VanDerWaalsContact CD2-CB 3.5Å; H606-R622 WeakPolarHBondContact CD2-CB 3.43Å; H606-T658 PolarHBondContact CE1-O 3.33Å; H606-T660 PolarHBondContact CE1-OG1 3.04Å; H606-T660 PolarHBondContact ND1-OG1 3.2Å
607	Q	89	Confident	90.3	Very high	168 Å²	168	64.8 Å²	64.8	79%	0.785	32%	0.32	S	S	*	.	S	Bend	trans	-76.3	48.9	176.6	-59.8	-70.7	26.9	0	0	112
608	T	87.2	Confident	90.2	Very high	33 Å²	33	64 Å²	64	20%	0.202	32%	0.317	C	S	.	.	S	Bend	trans	-127.6	158	175.7	60.8	0	0	0	0	110.5	H606 C616 I618	H606-T608 PolarHBondContact O-N 3.43Å; T608-C616 PolarHBondContact O-SG 2.77Å; T608-I618 PolarHBondContact O-N 3.37Å
609	K	91.2	Very high	90.1	Very high	126 Å²	126	70.4 Å²	70.4	55%	0.548	34%	0.344	S	S	.	.			trans	-101	127.5	-176.1	-171.5	171.8	-171.3	172.4	0	110	S611 R614 Q615 C616	K609-S611 PolarHBondContact O-N 3.31Å; K609-R614 WeakPolarHBondContact CE-O 3.24Å; K609-R614 WeakPolarHBondContact CG-O 3.26Å; K609-Q615 WeakPolarHBondContact CA-O 3.3Å; K609-C616 HydrophobicContact CB-CB 4.19Å; K609-C616 HydrophobicContact CG-CB 4.21Å
610	C	91	Very high	90	Very high	0 Å²	0	68.7 Å²	68.7	0%	0	34%	0.335	C	S	.	.			trans	-60.2	129.8	174.6	-179.5	0	0	0	0	110.5	I612 C613 R614 Q615 I618 C634	C610-I612 PolarHBondContact O-N 3.34Å; C610-C613 PolarHBondContact SG-SG 2.81Å; C610-R614 WeakPolarHBondContact O-CA 3.41Å; C610-R614 WeakPolarHBondContact O-CD 3.49Å; C610-R614 PolarHBondContact O-N 3.4Å; C610-R614 VanDerWaalsContact O-N 3.12Å; C610-Q615 PolarHBondContact N-O 3.24Å; C610-I618 HydrophobicContact CB-CD1 4.24Å; C610-I618 HydrophobicContact CB-CG1 4.3Å; C610-C634 HydrophobicContact CB-CB 4.17Å; C610-C634 PolarHBondContact SG-N 3.11Å; C610-C634 VanDerWaalsContact SG-N 3.41Å; C610-C634 VanDerWaalsContact SG-SG 3.64Å
611	S	88.9	Confident	90	Very high	31 Å²	31	66 Å²	66	22%	0.217	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-24.7	-179	-55.5	0	0	0	0	112.7	K609 R614 V631 D632	K609-S611 PolarHBondContact O-N 3.31Å; S611-R614 PolarHBondContact O-NE 2.89Å; S611-R614 PolarHBondContact O-NH1 3.24Å; S611-V631 WeakPolarHBondContact OG-CA 3.37Å; S611-D632 VanDerWaalsContact CB-O 3.25Å; S611-D632 WeakPolarHBondContact CB-O 3.36Å; S611-D632 PolarHBondContact N-O 3.33Å; S611-D632 PolarHBondContact OG-N 2.92Å; S611-D632 PolarHBondContact OG-O 3.03Å
612	I	88	Confident	89.9	Confident	44 Å²	44	66.3 Å²	66.3	23%	0.226	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.2	-73.1	-171.6	-51.4	-172.5	0	0	0	110.3	C610 R614 I633 C637 R642	C610-I612 PolarHBondContact O-N 3.34Å; I612-R614 VanDerWaalsContact C-N 3.26Å; I612-R614 PolarHBondContact O-N 2.96Å; I612-I633 HydrophobicContact CD1-CD1 4.16Å; I612-I633 HydrophobicContact CD1-CG1 4.26Å; I612-I633 HydrophobicContact CD1-CG2 4.02Å; I612-C637 HydrophobicContact CB-CB 4.31Å; I612-C637 HydrophobicContact CD1-CB 4.41Å; I612-R642 WeakPolarHBondContact CD1-O 3.37Å; I612-R642 HydrophobicContact CG2-CB 4.4Å
613	C	90.4	Very high	89.8	Confident	61 Å²	61	62.6 Å²	62.6	41%	0.412	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-1.8	179.7	67.7	0	0	0	0	115.1	C610 Q615 C637	C610-C613 PolarHBondContact SG-SG 2.81Å; C613-Q615 PolarHBondContact O-N 2.94Å; C613-Q615 VanDerWaalsContact SG-CB 3.56Å; C613-C637 VanDerWaalsContact SG-SG 3.64Å
614	R	91.8	Very high	89.5	Confident	161 Å²	161	55.7 Å²	55.7	61%	0.608	27%	0.272	S	S	*	.			trans	60.3	6.4	179.7	-55.3	-50.1	-163.3	168.5	3.5	116.5	K609 C610 S611 I612	K609-R614 WeakPolarHBondContact CE-O 3.24Å; K609-R614 WeakPolarHBondContact CG-O 3.26Å; C610-R614 WeakPolarHBondContact O-CA 3.41Å; C610-R614 WeakPolarHBondContact O-CD 3.49Å; C610-R614 PolarHBondContact O-N 3.4Å; C610-R614 VanDerWaalsContact O-N 3.12Å; S611-R614 PolarHBondContact O-NE 2.89Å; S611-R614 PolarHBondContact O-NH1 3.24Å; I612-R614 VanDerWaalsContact C-N 3.26Å; I612-R614 PolarHBondContact O-N 2.96Å
615	Q	91.1	Very high	89	Confident	97 Å²	97	55.3 Å²	55.3	45%	0.453	27%	0.27	S	S	.	.			trans	-60.3	141.1	173.4	-170.3	176.9	17.3	0	0	112	K609 C610 C613	K609-Q615 WeakPolarHBondContact CA-O 3.3Å; C610-Q615 PolarHBondContact N-O 3.24Å; C613-Q615 PolarHBondContact O-N 2.94Å; C613-Q615 VanDerWaalsContact SG-CB 3.56Å
616	C	88.4	Confident	88.1	Confident	76 Å²	76	49 Å²	49	51%	0.514	24%	0.243	S	C	.	.	S	Bend	trans	-150.8	139.8	175	-170.3	0	0	0	0	108.6	T608 K609	T608-C616 PolarHBondContact O-SG 2.77Å; K609-C616 HydrophobicContact CB-CB 4.19Å; K609-C616 HydrophobicContact CG-CB 4.21Å
617	P	89.9	Confident	87.1	Confident	43 Å²	43	53.7 Å²	53.7	28%	0.279	26%	0.263	S	S	.	.	S	Bend	cis	-63	159.2	-13.9	28.8	-35.5	0	0	0	111.8	H606 K619	H606-P617 WeakPolarHBondContact O-CA 3.01Å; H606-P617 WeakPolarHBondContact O-CB 3.48Å; P617-K619 PolarHBondContact O-N 2.94Å
618	I	90.9	Very high	86	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	118.8	164.8	-65.7	175.7	0	0	0	107.3	K605 H606 T608 C610 R622 D632 C634	K605-I618 CarbonylContact C-O 3.51Å; K605-I618 WeakPolarHBondContact CA-O 3.46Å; H606-I618 HydrophobicContact CB-CB 4.35Å; H606-I618 PolarHBondContact N-O 3.5Å; H606-I618 PolarHBondContact O-N 3.45Å; T608-I618 PolarHBondContact O-N 3.37Å; C610-I618 HydrophobicContact CB-CD1 4.24Å; C610-I618 HydrophobicContact CB-CG1 4.3Å; I618-R622 HydrophobicContact CD1-CG 4.44Å; I618-R622 HydrophobicContact CG2-CB 4.31Å; I618-D632 HydrophobicContact CD1-CB 4.26Å; I618-C634 HydrophobicContact CB-CB 4.45Å; I618-C634 HydrophobicContact CD1-CB 4.28Å; I618-C634 HydrophobicContact CG1-CB 4.02Å; I618-C634 HydrophobicContact CG2-CB 3.79Å
619	K	90.6	Very high	84.9	Confident	138 Å²	138	50.7 Å²	50.7	60%	0.6	25%	0.246	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-94.6	148.3	168.2	-54.2	-178.4	-175.5	178.8	0	108.7	P617	P617-K619 PolarHBondContact O-N 2.94Å
620	G	91.2	Very high	84	Confident	3 Å²	3	50.2 Å²	50.2	3%	0.031	25%	0.249	C	C	.	.	S	Bend	trans	72.3	-158.1	-174.8	0	0	0	0	0	111.8	A601 V604 R622	A601-G620 VanDerWaalsContact O-CA 3.26Å; A601-G620 WeakPolarHBondContact O-CA 3.49Å; V604-G620 PolarHBondContact O-N 3.26Å; V604-G620 VanDerWaalsContact O-N 3.12Å; G620-R622 PolarHBondContact O-N 3.43Å
621	F	90.7	Very high	83.6	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	26%	0.258	C	S	.	.			trans	-58.5	135.6	-176.7	-66.7	-89.4	0	0	0	113.6	Y403 M407 R597 V598 A601 Y623 Q635 E655	Y403-F621 HydrophobicContact CE1-CE1 4.34Å; Y403-F621 HydrophobicContact CE1-CZ 4.19Å; M407-F621 HydrophobicContact CE-CD2 4.39Å; M407-F621 HydrophobicContact CE-CE2 4.11Å; R597-F621 HydrophobicContact CB-CE1 3.92Å; R597-F621 HydrophobicContact CB-CZ 3.88Å; V598-F621 HydrophobicContact CB-CE2 4.37Å; V598-F621 HydrophobicContact CG2-CE2 3.85Å; V598-F621 HydrophobicContact CG2-CZ 4.02Å; A601-F621 HydrophobicContact CB-CD1 4.13Å; A601-F621 HydrophobicContact CB-CD2 3.76Å; A601-F621 HydrophobicContact CB-CE1 4.12Å; A601-F621 HydrophobicContact CB-CE2 3.71Å; A601-F621 HydrophobicContact CB-CG 3.98Å; A601-F621 HydrophobicContact CB-CZ 3.92Å; F621-Y623 HydrophobicContact CB-CD2 4.18Å; F621-Y623 HydrophobicContact CB-CE2 3.4Å; F621-Y623 WeakPolarHBondContact CD1-OH 3.46Å; F621-Y623 HydrophobicContact CG-CE2 4.2Å; F621-Y623 AromaticContact CG-CZ 3.99Å; F621-Y623 WeakPolarHBondContact CG-OH 3.12Å; F621-Q635 HydrophobicContact CB-CB 4.16Å; F621-Q635 HydrophobicContact CB-CG 4.49Å; F621-Q635 HydrophobicContact CD2-CG 4.18Å; F621-Q635 VanDerWaalsContact N-OE1 3.16Å; F621-Q635 PolarHBondContact O-N 2.79Å; F621-E655 HydrophobicContact CD1-CG 3.68Å; F621-E655 VanDerWaalsContact CD1-OE2 3.26Å; F621-E655 WeakPolarHBondContact CD1-OE2 3.46Å; F621-E655 VanDerWaalsContact CE1-CD 3.49Å; F621-E655 HydrophobicContact CE1-CG 4.08Å; F621-E655 VanDerWaalsContact CE1-OE2 3.26Å; F621-E655 WeakPolarHBondContact CE1-OE2 3.37Å
622	R	89.7	Confident	83.4	Confident	7 Å²	7	50.7 Å²	50.7	3%	0.026	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	122.8	167.1	173	-170.1	175.8	-165.2	5.1	109.3	H606 I618 G620 D632 Y656 T660	H606-R622 HydrophobicContact CB-CB 4.49Å; H606-R622 VanDerWaalsContact CD2-CB 3.5Å; H606-R622 WeakPolarHBondContact CD2-CB 3.43Å; I618-R622 HydrophobicContact CD1-CG 4.44Å; I618-R622 HydrophobicContact CG2-CB 4.31Å; G620-R622 PolarHBondContact O-N 3.43Å; R622-D632 IonicContact CZ-OD1 3.08Å; R622-D632 VanDerWaalsContact CZ-OD1 3.3Å; R622-D632 IonicContact CZ-OD2 2.76Å; R622-D632 VanDerWaalsContact NE-CG 3.26Å; R622-D632 IonicContact NE-OD1 4Å; R622-D632 PolarHBondContact NE-OD1 3.34Å; R622-D632 IonicContact NE-OD2 3.87Å; R622-D632 PolarHBondContact NE-OD2 3.28Å; R622-D632 VanDerWaalsContact NH2-CG 3.29Å; R622-D632 IonicContact NH2-OD1 3.12Å; R622-D632 PolarHBondContact NH2-OD1 3Å; R622-D632 IonicContact NH2-OD2 3.62Å; R622-D632 PolarHBondContact NH2-OD2 2.88Å; R622-Y656 HydrophobicContact CB-CD2 4.26Å; R622-Y656 HydrophobicContact CG-CD2 3.92Å; R622-Y656 PolarHBondContact N-O 2.9Å; R622-Y656 PolarHBondContact O-N 3.47Å; R622-T660 PolarHBondContact NH1-OG1 3.39Å
623	Y	87	Confident	83.4	Confident	3 Å²	3	48.9 Å²	48.9	1%	0.012	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	120.1	176.9	-66.1	-74.3	0	0	0	110.3	Y403 F621 D632 I633 F638 I653 M654 E655	Y403-Y623 VanDerWaalsContact CE1-OH 3.23Å; Y403-Y623 WeakPolarHBondContact CE1-OH 3.28Å; F621-Y623 HydrophobicContact CB-CD2 4.18Å; F621-Y623 HydrophobicContact CB-CE2 3.4Å; F621-Y623 WeakPolarHBondContact CD1-OH 3.46Å; F621-Y623 HydrophobicContact CG-CE2 4.2Å; F621-Y623 AromaticContact CG-CZ 3.99Å; F621-Y623 WeakPolarHBondContact CG-OH 3.12Å; Y623-D632 CarbonylContact O-C 3.53Å; Y623-I633 PolarHBondContact N-O 2.98Å; Y623-I633 PolarHBondContact O-N 3.3Å; Y623-F638 AromaticContact CD1-CD1 3.85Å; Y623-F638 HydrophobicContact CD1-CD1 3.85Å; Y623-F638 AromaticContact CD1-CE1 3.93Å; Y623-F638 HydrophobicContact CD1-CE1 3.93Å; Y623-F638 HydrophobicContact CD1-CG 4.18Å; Y623-F638 HydrophobicContact CD1-CZ 4.33Å; Y623-F638 HydrophobicContact CD2-CB 3.42Å; Y623-F638 VanDerWaalsContact CD2-CB 3.42Å; Y623-F638 AromaticContact CD2-CD1 3.51Å; Y623-F638 HydrophobicContact CD2-CD1 3.51Å; Y623-F638 HydrophobicContact CD2-CD2 4.44Å; Y623-F638 HydrophobicContact CD2-CE1 4.39Å; Y623-F638 AromaticContact CD2-CG 3.53Å; Y623-F638 HydrophobicContact CD2-CG 3.53Å; Y623-F638 AromaticContact CE1-CD1 3.73Å; Y623-F638 HydrophobicContact CE1-CD1 3.73Å; Y623-F638 AromaticContact CE1-CE1 3.69Å; Y623-F638 HydrophobicContact CE1-CE1 3.69Å; Y623-F638 HydrophobicContact CE1-CG 4.5Å; Y623-F638 HydrophobicContact CE1-CZ 4.43Å; Y623-F638 HydrophobicContact CE2-CB 3.91Å; Y623-F638 AromaticContact CE2-CD1 3.35Å; Y623-F638 HydrophobicContact CE2-CD1 3.35Å; Y623-F638 HydrophobicContact CE2-CE1 4.15Å; Y623-F638 AromaticContact CE2-CG 3.88Å; Y623-F638 HydrophobicContact CE2-CG 3.88Å; Y623-F638 HydrophobicContact CG-CB 3.99Å; Y623-F638 AromaticContact CG-CD1 3.75Å; Y623-F638 HydrophobicContact CG-CD1 3.75Å; Y623-F638 HydrophobicContact CG-CD2 4.2Å; Y623-F638 HydrophobicContact CG-CE1 4.28Å; Y623-F638 AromaticContact CG-CG 3.7Å; Y623-F638 HydrophobicContact CG-CG 3.7Å; Y623-F638 AromaticContact CZ-CD1 3.5Å; Y623-F638 VanDerWaalsContact CZ-CD1 3.5Å; Y623-F638 AromaticContact CZ-CE1 3.82Å; Y623-I653 HydrophobicContact CD1-CG2 3.83Å; Y623-I653 HydrophobicContact CG-CG2 4.27Å; Y623-M654 CarbonylContact C-O 3.57Å; Y623-M654 WeakPolarHBondContact CA-O 3.22Å; Y623-E655 HydrophobicContact CD1-CB 4.14Å; Y623-E655 HydrophobicContact CD1-CG 4.39Å; Y623-E655 HydrophobicContact CE1-CB 3.82Å; Y623-E655 HydrophobicContact CE1-CG 3.72Å; Y623-E655 WeakPolarHBondContact CE1-OE2 3.22Å; Y623-E655 PolarHBondContact OH-OE2 2.95Å
624	R	83.1	Confident	83.4	Confident	15 Å²	15	46 Å²	46	6%	0.057	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	131.5	-177.2	-175.1	-177.6	-168	158	9.1	111.5	N630 V631 D632 I653 M654 Y656 N665	R624-N630 PolarHBondContact NH2-OD1 2.68Å; R624-V631 WeakPolarHBondContact CA-O 3.32Å; R624-D632 WeakPolarHBondContact CB-OD1 3.5Å; R624-I653 CarbonylContact O-C 3.59Å; R624-I653 VanDerWaalsContact O-CA 3.31Å; R624-I653 WeakPolarHBondContact O-CA 3.37Å; R624-M654 PolarHBondContact N-O 3.31Å; R624-M654 PolarHBondContact O-N 3.48Å; R624-Y656 HydrophobicContact CB-CE2 3.72Å; R624-Y656 VanDerWaalsContact CD-OH 3.32Å; R624-Y656 WeakPolarHBondContact CD-OH 3.4Å; R624-Y656 PolarHBondContact NH1-OH 2.89Å; R624-N665 PolarHBondContact NH1-OD1 3.22Å
625	S	79.4	Confident	83.4	Confident	5 Å²	5	40.6 Å²	40.6	4%	0.035	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	129.9	174.1	-172.6	0	0	0	0	111.8	K627 Q628 V631	S625-K627 PolarHBondContact O-N 3.02Å; S625-K627 PolarHBondContact OG-N 3.36Å; S625-Q628 PolarHBondContact OG-N 3Å; S625-Q628 VanDerWaalsContact OG-N 3.14Å; S625-V631 PolarHBondContact N-O 3.41Å
626	L	71.9	Confident	83.3	Confident	12 Å²	12	39.9 Å²	39.9	6%	0.063	21%	0.206	C	C	.	.	S	Bend	trans	-83.9	7	168.8	-69.9	175.3	0	0	0	113.5	P652 M654	L626-P652 HydrophobicContact CB-CB 4.24Å; L626-P652 WeakPolarHBondContact CB-O 3.25Å; L626-P652 HydrophobicContact CD1-CB 4.08Å; L626-P652 PolarHBondContact N-O 2.8Å; L626-M654 HydrophobicContact CD1-CG 3.81Å; L626-M654 HydrophobicContact CD1-SD 3.96Å; L626-M654 HydrophobicContact CD2-CG 3.64Å; L626-M654 HydrophobicContact CG-CG 3.76Å
627	K	67.1	Low	83.3	Confident	105 Å²	105	36.5 Å²	36.5	46%	0.457	18%	0.182	S	C	.	.	S	Bend	trans	-119	-36.9	-178.6	-168.4	-176.1	-178.8	-173.8	0	112.6	S625 Y651 K676	S625-K627 PolarHBondContact O-N 3.02Å; S625-K627 PolarHBondContact OG-N 3.36Å; K627-Y651 HydrophobicContact CB-CG 4.33Å; K627-Y651 HydrophobicContact CD-CD1 3.44Å; K627-Y651 VanDerWaalsContact CD-CD1 3.44Å; K627-Y651 HydrophobicContact CD-CD2 4.32Å; K627-Y651 HydrophobicContact CD-CE1 3.78Å; K627-Y651 HydrophobicContact CD-CG 3.8Å; K627-Y651 VanDerWaalsContact NZ-CE1 3.32Å; K627-K676 WeakPolarHBondContact O-CE 3.32Å
628	Q	66.4	Low	83.1	Confident	60 Å²	60	35.1 Å²	35.1	28%	0.28	17%	0.172	S	C	.	.	S	Bend	trans	-107	120.7	179.4	-62.7	179.2	-16.3	0	0	109.6	S625 N630 V631	S625-Q628 PolarHBondContact OG-N 3Å; S625-Q628 VanDerWaalsContact OG-N 3.14Å; Q628-N630 PolarHBondContact O-N 2.77Å; Q628-V631 HydrophobicContact CB-CB 3.93Å; Q628-V631 HydrophobicContact CB-CG2 3.52Å; Q628-V631 PolarHBondContact O-N 3.46Å
629	F	64.6	Low	82.9	Confident	78 Å²	78	35.3 Å²	35.3	34%	0.342	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	132.3	-179	-78.6	-63.9	0	0	0	111.4	V631 F669 T672 L673 K676	F629-V631 PolarHBondContact O-N 3.26Å; F629-V631 VanDerWaalsContact O-N 3.11Å; F629-F669 HydrophobicContact CD1-CD2 4.38Å; F629-F669 HydrophobicContact CD1-CE2 4.37Å; F629-F669 AromaticContact CE1-CD2 3.98Å; F629-F669 HydrophobicContact CE1-CD2 3.98Å; F629-F669 AromaticContact CE1-CE2 3.86Å; F629-F669 HydrophobicContact CE1-CE2 3.86Å; F629-T672 HydrophobicContact CD1-CG2 3.67Å; F629-T672 HydrophobicContact CE1-CG2 3.6Å; F629-T672 HydrophobicContact CG-CG2 4.35Å; F629-T672 HydrophobicContact CZ-CG2 4.23Å; F629-L673 HydrophobicContact CE1-CG 4.36Å; F629-L673 HydrophobicContact CZ-CD2 3.81Å; F629-L673 HydrophobicContact CZ-CG 4.02Å; F629-K676 HydrophobicContact CD2-CD 4.43Å; F629-K676 HydrophobicContact CE2-CD 3.79Å; F629-K676 HydrophobicContact CZ-CD 4.33Å
630	N	70.9	Confident	82.6	Confident	116 Å²	116	30.2 Å²	30.2	62%	0.62	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.9	26.8	175.8	-59.3	-12.4	0	0	0	115	R624 Q628 D632	R624-N630 PolarHBondContact NH2-OD1 2.68Å; Q628-N630 PolarHBondContact O-N 2.77Å; N630-D632 PolarHBondContact O-N 3.32Å
631	V	82.6	Confident	82.1	Confident	30 Å²	30	31.4 Å²	31.4	18%	0.182	17%	0.166	C	C	.	.			trans	-87.8	93.3	169.1	176.1	0	0	0	0	109.2	S611 R624 S625 Q628 F629 I633	S611-V631 WeakPolarHBondContact OG-CA 3.37Å; R624-V631 WeakPolarHBondContact CA-O 3.32Å; S625-V631 PolarHBondContact N-O 3.41Å; Q628-V631 HydrophobicContact CB-CB 3.93Å; Q628-V631 HydrophobicContact CB-CG2 3.52Å; Q628-V631 PolarHBondContact O-N 3.46Å; F629-V631 PolarHBondContact O-N 3.26Å; F629-V631 VanDerWaalsContact O-N 3.11Å; V631-I633 HydrophobicContact CG1-CD1 4.48Å; V631-I633 HydrophobicContact CG1-CG1 4.31Å
632	D	86.1	Confident	81.6	Confident	11 Å²	11	38.6 Å²	38.6	6%	0.059	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	142.9	169	-73.9	-49.8	0	0	0	110.8	S611 I618 R622 Y623 R624 N630	S611-D632 VanDerWaalsContact CB-O 3.25Å; S611-D632 WeakPolarHBondContact CB-O 3.36Å; S611-D632 PolarHBondContact N-O 3.33Å; S611-D632 PolarHBondContact OG-N 2.92Å; S611-D632 PolarHBondContact OG-O 3.03Å; I618-D632 HydrophobicContact CD1-CB 4.26Å; R622-D632 IonicContact CZ-OD1 3.08Å; R622-D632 VanDerWaalsContact CZ-OD1 3.3Å; R622-D632 IonicContact CZ-OD2 2.76Å; R622-D632 VanDerWaalsContact NE-CG 3.26Å; R622-D632 IonicContact NE-OD1 4Å; R622-D632 PolarHBondContact NE-OD1 3.34Å; R622-D632 IonicContact NE-OD2 3.87Å; R622-D632 PolarHBondContact NE-OD2 3.28Å; R622-D632 VanDerWaalsContact NH2-CG 3.29Å; R622-D632 IonicContact NH2-OD1 3.12Å; R622-D632 PolarHBondContact NH2-OD1 3Å; R622-D632 IonicContact NH2-OD2 3.62Å; R622-D632 PolarHBondContact NH2-OD2 2.88Å; Y623-D632 CarbonylContact O-C 3.53Å; R624-D632 WeakPolarHBondContact CB-OD1 3.5Å; N630-D632 PolarHBondContact O-N 3.32Å
633	I	88.3	Confident	80.6	Confident	5 Å²	5	40.8 Å²	40.8	3%	0.026	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	135.8	-177.8	-53.2	174.9	0	0	0	108	I612 Y623 V631 C637 F638 L649	I612-I633 HydrophobicContact CD1-CD1 4.16Å; I612-I633 HydrophobicContact CD1-CG1 4.26Å; I612-I633 HydrophobicContact CD1-CG2 4.02Å; Y623-I633 PolarHBondContact N-O 2.98Å; Y623-I633 PolarHBondContact O-N 3.3Å; V631-I633 HydrophobicContact CG1-CD1 4.48Å; V631-I633 HydrophobicContact CG1-CG1 4.31Å; I633-C637 HydrophobicContact CG2-CB 3.65Å; I633-F638 HydrophobicContact CG2-CB 4.04Å; I633-L649 HydrophobicContact CD1-CD2 3.77Å
634	C	90.4	Very high	79.4	Confident	2 Å²	2	44.3 Å²	44.3	1%	0.014	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	155.9	176.2	68.2	0	0	0	0	112.5	C610 I618 T636 C637 F638	C610-C634 HydrophobicContact CB-CB 4.17Å; C610-C634 PolarHBondContact SG-N 3.11Å; C610-C634 VanDerWaalsContact SG-N 3.41Å; C610-C634 VanDerWaalsContact SG-SG 3.64Å; I618-C634 HydrophobicContact CB-CB 4.45Å; I618-C634 HydrophobicContact CD1-CB 4.28Å; I618-C634 HydrophobicContact CG1-CB 4.02Å; I618-C634 HydrophobicContact CG2-CB 3.79Å; C634-T636 VanDerWaalsContact C-N 3.34Å; C634-T636 PolarHBondContact O-N 2.89Å; C634-C637 PolarHBondContact O-N 3.49Å; C634-C637 VanDerWaalsContact SG-SG 3.63Å; C634-F638 PolarHBondContact O-N 3.37Å
635	Q	90.2	Very high	77.7	Confident	47 Å²	47	53.7 Å²	53.7	22%	0.22	28%	0.279	C	S	.	.	H	α-helix	trans	-32.4	-59.9	171.3	-176.7	174.6	-35.7	0	0	114.2	M407 F621 C637 F638 L639	M407-Q635 HydrophobicContact CE-CG 4.16Å; M407-Q635 VanDerWaalsContact CE-NE2 3.26Å; F621-Q635 HydrophobicContact CB-CB 4.16Å; F621-Q635 HydrophobicContact CB-CG 4.49Å; F621-Q635 HydrophobicContact CD2-CG 4.18Å; F621-Q635 VanDerWaalsContact N-OE1 3.16Å; F621-Q635 PolarHBondContact O-N 2.79Å; Q635-C637 VanDerWaalsContact C-N 3.35Å; Q635-C637 PolarHBondContact O-N 2.95Å; Q635-F638 PolarHBondContact O-N 3.17Å; Q635-L639 HydrophobicContact CG-CD1 3.71Å; Q635-L639 HydrophobicContact CG-CG 4.5Å; Q635-L639 WeakPolarHBondContact O-CB 3.31Å; Q635-L639 WeakPolarHBondContact O-CG 3.49Å; Q635-L639 PolarHBondContact O-N 3.36Å
636	T	89.1	Confident	76.4	Confident	82 Å²	82	57.4 Å²	57.4	50%	0.503	32%	0.318	S	S	.	.	H	α-helix	trans	-61	-39.9	-176.5	-43.3	0	0	0	0	113	C634 T640	C634-T636 VanDerWaalsContact C-N 3.34Å; C634-T636 PolarHBondContact O-N 2.89Å; T636-T640 PolarHBondContact O-N 2.94Å; T636-T640 PolarHBondContact O-OG1 3.17Å
637	C	88.4	Confident	75.5	Confident	4 Å²	4	60 Å²	60	3%	0.027	33%	0.332	C	S	.	.	H	α-helix	trans	-72.2	-41.5	-179.8	-71.5	0	0	0	0	111.9	I612 C613 I633 C634 Q635 G641 R642	I612-C637 HydrophobicContact CB-CB 4.31Å; I612-C637 HydrophobicContact CD1-CB 4.41Å; C613-C637 VanDerWaalsContact SG-SG 3.64Å; I633-C637 HydrophobicContact CG2-CB 3.65Å; C634-C637 PolarHBondContact O-N 3.49Å; C634-C637 VanDerWaalsContact SG-SG 3.63Å; Q635-C637 VanDerWaalsContact C-N 3.35Å; Q635-C637 PolarHBondContact O-N 2.95Å; C637-G641 PolarHBondContact O-N 3.11Å; C637-R642 HydrophobicContact CB-CB 4.42Å; C637-R642 PolarHBondContact O-N 2.72Å
638	F	86.9	Confident	74.9	Confident	15 Å²	15	62 Å²	62	7%	0.066	34%	0.34	C	S	.	.	H	α-helix	trans	-67.4	-51.9	178.6	178.7	-107.7	0	0	0	111.6	F400 Y623 I633 C634 Q635 T640 G641 I653	F400-F638 HydrophobicContact CD2-CE1 4.15Å; F400-F638 HydrophobicContact CE1-CZ 4.4Å; F400-F638 HydrophobicContact CE2-CD1 4.07Å; F400-F638 AromaticContact CE2-CE1 3.61Å; F400-F638 HydrophobicContact CE2-CE1 3.61Å; F400-F638 HydrophobicContact CE2-CE2 4.22Å; F400-F638 AromaticContact CE2-CZ 3.69Å; F400-F638 HydrophobicContact CE2-CZ 3.69Å; F400-F638 AromaticContact CZ-CE1 3.98Å; F400-F638 HydrophobicContact CZ-CE1 3.98Å; F400-F638 HydrophobicContact CZ-CE2 4.07Å; F400-F638 AromaticContact CZ-CZ 3.58Å; F400-F638 HydrophobicContact CZ-CZ 3.58Å; Y623-F638 AromaticContact CD1-CD1 3.85Å; Y623-F638 HydrophobicContact CD1-CD1 3.85Å; Y623-F638 AromaticContact CD1-CE1 3.93Å; Y623-F638 HydrophobicContact CD1-CE1 3.93Å; Y623-F638 HydrophobicContact CD1-CG 4.18Å; Y623-F638 HydrophobicContact CD1-CZ 4.33Å; Y623-F638 HydrophobicContact CD2-CB 3.42Å; Y623-F638 VanDerWaalsContact CD2-CB 3.42Å; Y623-F638 AromaticContact CD2-CD1 3.51Å; Y623-F638 HydrophobicContact CD2-CD1 3.51Å; Y623-F638 HydrophobicContact CD2-CD2 4.44Å; Y623-F638 HydrophobicContact CD2-CE1 4.39Å; Y623-F638 AromaticContact CD2-CG 3.53Å; Y623-F638 HydrophobicContact CD2-CG 3.53Å; Y623-F638 AromaticContact CE1-CD1 3.73Å; Y623-F638 HydrophobicContact CE1-CD1 3.73Å; Y623-F638 AromaticContact CE1-CE1 3.69Å; Y623-F638 HydrophobicContact CE1-CE1 3.69Å; Y623-F638 HydrophobicContact CE1-CG 4.5Å; Y623-F638 HydrophobicContact CE1-CZ 4.43Å; Y623-F638 HydrophobicContact CE2-CB 3.91Å; Y623-F638 AromaticContact CE2-CD1 3.35Å; Y623-F638 HydrophobicContact CE2-CD1 3.35Å; Y623-F638 HydrophobicContact CE2-CE1 4.15Å; Y623-F638 AromaticContact CE2-CG 3.88Å; Y623-F638 HydrophobicContact CE2-CG 3.88Å; Y623-F638 HydrophobicContact CG-CB 3.99Å; Y623-F638 AromaticContact CG-CD1 3.75Å; Y623-F638 HydrophobicContact CG-CD1 3.75Å; Y623-F638 HydrophobicContact CG-CD2 4.2Å; Y623-F638 HydrophobicContact CG-CE1 4.28Å; Y623-F638 AromaticContact CG-CG 3.7Å; Y623-F638 HydrophobicContact CG-CG 3.7Å; Y623-F638 AromaticContact CZ-CD1 3.5Å; Y623-F638 VanDerWaalsContact CZ-CD1 3.5Å; Y623-F638 AromaticContact CZ-CE1 3.82Å; I633-F638 HydrophobicContact CG2-CB 4.04Å; C634-F638 PolarHBondContact O-N 3.37Å; Q635-F638 PolarHBondContact O-N 3.17Å; F638-T640 PolarHBondContact O-N 2.92Å; F638-G641 WeakPolarHBondContact O-CA 3.28Å; F638-G641 PolarHBondContact O-N 2.78Å; F638-I653 HydrophobicContact CD2-CD1 4.21Å; F638-I653 HydrophobicContact CE2-CD1 3.69Å
639	L	87.2	Confident	74.5	Confident	4 Å²	4	61.7 Å²	61.7	2%	0.021	34%	0.341	C	S	.	.	H	α-helix	trans	-69.7	-30.2	-172.9	-67	-179.1	0	0	0	114.1	I398 K399 F400 Y403 M407 Q635 G641	I398-L639 HydrophobicContact CG1-CB 4.39Å; I398-L639 HydrophobicContact CG2-CB 4.13Å; I398-L639 HydrophobicContact CG2-CD2 4.35Å; K399-L639 PolarHBondContact N-O 3.04Å; F400-L639 HydrophobicContact CD2-CD2 3.83Å; F400-L639 HydrophobicContact CE2-CD2 4.5Å; Y403-L639 HydrophobicContact CD1-CD2 4.03Å; Y403-L639 HydrophobicContact CD2-CD2 3.99Å; Y403-L639 HydrophobicContact CG-CD2 3.66Å; M407-L639 HydrophobicContact CE-CD1 3.43Å; M407-L639 VanDerWaalsContact CE-CD1 3.43Å; M407-L639 HydrophobicContact SD-CD1 3.95Å; Q635-L639 HydrophobicContact CG-CD1 3.71Å; Q635-L639 HydrophobicContact CG-CG 4.5Å; Q635-L639 WeakPolarHBondContact O-CB 3.31Å; Q635-L639 WeakPolarHBondContact O-CG 3.49Å; Q635-L639 PolarHBondContact O-N 3.36Å; L639-G641 VanDerWaalsContact C-N 3.29Å
640	T	84.1	Confident	73.9	Confident	30 Å²	30	66.2 Å²	66.2	18%	0.184	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-0.3	170.5	61.3	0	0	0	0	113.1	K399 T636 F638 R642	K399-T640 WeakPolarHBondContact CE-O 3.39Å; T636-T640 PolarHBondContact O-N 2.94Å; T636-T640 PolarHBondContact O-OG1 3.17Å; F638-T640 PolarHBondContact O-N 2.92Å; T640-R642 VanDerWaalsContact C-N 3.31Å; T640-R642 PolarHBondContact O-N 3.34Å; T640-R642 WeakPolarHBondContact OG1-CG 3.26Å; T640-R642 PolarHBondContact OG1-NE 3.41Å
641	G	79.6	Confident	73.2	Confident	28 Å²	28	63.5 Å²	63.5	29%	0.289	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.7	28.5	179.6	0	0	0	0	0	114.5	C637 F638 L639 A643	C637-G641 PolarHBondContact O-N 3.11Å; F638-G641 WeakPolarHBondContact O-CA 3.28Å; F638-G641 PolarHBondContact O-N 2.78Å; L639-G641 VanDerWaalsContact C-N 3.29Å; G641-A643 PolarHBondContact O-N 2.86Å
642	R	81	Confident	72.1	Confident	152 Å²	152	64.4 Å²	64.4	57%	0.574	35%	0.35	S	S	*	.			trans	-67.6	127.5	175.2	-69.5	175.5	-168	-136.4	0.5	109.2	I612 C637 T640	I612-R642 WeakPolarHBondContact CD1-O 3.37Å; I612-R642 HydrophobicContact CG2-CB 4.4Å; C637-R642 HydrophobicContact CB-CB 4.42Å; C637-R642 PolarHBondContact O-N 2.72Å; T640-R642 VanDerWaalsContact C-N 3.31Å; T640-R642 PolarHBondContact O-N 3.34Å; T640-R642 WeakPolarHBondContact OG1-CG 3.26Å; T640-R642 PolarHBondContact OG1-NE 3.41Å
643	A	69.4	Low	71.4	Confident	52 Å²	52	66 Å²	66	43%	0.43	36%	0.358	S	S	.	.			trans	-117.2	153.3	177.9	0	0	0	0	0	111.4	G641 N647	G641-A643 PolarHBondContact O-N 2.86Å; A643-N647 VanDerWaalsContact CB-O 3.3Å; A643-N647 WeakPolarHBondContact CB-O 3.38Å
644	S	61.3	Low	70.8	Confident	78 Å²	78	69.2 Å²	69.2	55%	0.545	37%	0.374	S	S	.	.			trans	-76.6	146.6	160.4	-169	0	0	0	0	109.4	G646 N647	S644-G646 PolarHBondContact O-N 2.76Å; S644-N647 PolarHBondContact O-N 2.97Å
645	K	47.7	Very low	70.6	Confident	212 Å²	212	70.4 Å²	70.4	92%	0.922	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.7	121.3	-173.5	-70.7	-174.1	174.8	-175.1	0	111.4
646	G	51.4	Low	70.2	Confident	83 Å²	83	68.7 Å²	68.7	86%	0.856	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	99.7	-12.9	174.5	0	0	0	0	0	117.4	S644	S644-G646 PolarHBondContact O-N 2.76Å
647	N	53.9	Low	70	Confident	65 Å²	65	68.4 Å²	68.4	35%	0.348	36%	0.361	S	S	.	.			trans	-114.7	97.2	-177	-72.6	-57.6	0	0	0	113.1	A643 S644 Y651	A643-N647 VanDerWaalsContact CB-O 3.3Å; A643-N647 WeakPolarHBondContact CB-O 3.38Å; S644-N647 PolarHBondContact O-N 2.97Å; N647-Y651 PolarHBondContact OD1-OH 2.96Å
648	K	54.4	Low	69.9	Low	148 Å²	148	70.7 Å²	70.7	64%	0.643	38%	0.375	S	S	*	.			trans	-60.4	137.2	161.4	-68.1	-164.5	-179.8	-167	0	108.4	H650	K648-H650 PolarHBondContact O-N 3.38Å
649	L	56.8	Low	69.5	Low	54 Å²	54	74.4 Å²	74.4	28%	0.283	40%	0.401	S	S	.	.	S	Bend	trans	-72.6	30.9	-171.5	-72.7	169.3	0	0	0	115	I633 Y651	I633-L649 HydrophobicContact CD1-CD2 3.77Å; L649-Y651 PolarHBondContact O-N 2.88Å
650	H	52.3	Low	68.7	Low	172 Å²	172	75.9 Å²	75.9	80%	0.796	41%	0.41	S	S	*	.			trans	-83.3	53.3	-174.3	-162.9	-53.3	0	0	0	112.6	K648	K648-H650 PolarHBondContact O-N 3.38Å
651	Y	56.7	Low	67.7	Low	59 Å²	59	77.5 Å²	77.5	23%	0.231	42%	0.42	C	S	.	.	S	Bend	trans	-127.2	153.1	177.9	-53.1	-38.4	0	0	0	111.1	K627 N647 L649 I653	K627-Y651 HydrophobicContact CB-CG 4.33Å; K627-Y651 HydrophobicContact CD-CD1 3.44Å; K627-Y651 VanDerWaalsContact CD-CD1 3.44Å; K627-Y651 HydrophobicContact CD-CD2 4.32Å; K627-Y651 HydrophobicContact CD-CE1 3.78Å; K627-Y651 HydrophobicContact CD-CG 3.8Å; K627-Y651 VanDerWaalsContact NZ-CE1 3.32Å; N647-Y651 PolarHBondContact OD1-OH 2.96Å; L649-Y651 PolarHBondContact O-N 2.88Å; Y651-I653 PolarHBondContact O-N 3.47Å
652	P	59.9	Low	66.7	Low	49 Å²	49	81.3 Å²	81.3	32%	0.318	44%	0.442	S	S	.	.			trans	-60	131.2	169.7	-18.6	31.2	0	0	0	110.2	L626 F683	L626-P652 HydrophobicContact CB-CB 4.24Å; L626-P652 WeakPolarHBondContact CB-O 3.25Å; L626-P652 HydrophobicContact CD1-CB 4.08Å; L626-P652 PolarHBondContact N-O 2.8Å; P652-F683 HydrophobicContact CG-CD1 3.64Å; P652-F683 HydrophobicContact CG-CE1 3.86Å
653	I	70.5	Confident	65.7	Low	44 Å²	44	77 Å²	77	23%	0.226	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	132.8	-174.6	-77.3	166.2	0	0	0	108.1	Y623 R624 F638 Y651	Y623-I653 HydrophobicContact CD1-CG2 3.83Å; Y623-I653 HydrophobicContact CG-CG2 4.27Å; R624-I653 CarbonylContact O-C 3.59Å; R624-I653 VanDerWaalsContact O-CA 3.31Å; R624-I653 WeakPolarHBondContact O-CA 3.37Å; F638-I653 HydrophobicContact CD2-CD1 4.21Å; F638-I653 HydrophobicContact CE2-CD1 3.69Å; Y651-I653 PolarHBondContact O-N 3.47Å
654	M	76.6	Confident	65.4	Low	74 Å²	74	76.6 Å²	76.6	37%	0.365	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	133.8	166.9	-68.5	-59.3	-71.5	0	0	109.6	Y623 R624 L626	Y623-M654 CarbonylContact C-O 3.57Å; Y623-M654 WeakPolarHBondContact CA-O 3.22Å; R624-M654 PolarHBondContact N-O 3.31Å; R624-M654 PolarHBondContact O-N 3.48Å; L626-M654 HydrophobicContact CD1-CG 3.81Å; L626-M654 HydrophobicContact CD1-SD 3.96Å; L626-M654 HydrophobicContact CD2-CG 3.64Å; L626-M654 HydrophobicContact CG-CG 3.76Å
655	E	84.7	Confident	65.3	Low	26 Å²	26	75.1 Å²	75.1	12%	0.121	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	130.4	168.2	177.1	170.6	75	0	0	109.5	Y403 R597 F621 Y623 Y657 Y691	Y403-E655 WeakPolarHBondContact CE1-OE2 3.33Å; Y403-E655 VanDerWaalsContact CZ-OE2 3.28Å; Y403-E655 VanDerWaalsContact OH-CD 3.32Å; Y403-E655 PolarHBondContact OH-OE2 3.05Å; R597-E655 WeakPolarHBondContact CD-OE1 3.16Å; R597-E655 IonicContact CZ-OE1 2.78Å; R597-E655 IonicContact NE-OE1 3.94Å; R597-E655 PolarHBondContact NE-OE1 3.44Å; R597-E655 IonicContact NH2-OE1 2.73Å; F621-E655 HydrophobicContact CD1-CG 3.68Å; F621-E655 VanDerWaalsContact CD1-OE2 3.26Å; F621-E655 WeakPolarHBondContact CD1-OE2 3.46Å; F621-E655 VanDerWaalsContact CE1-CD 3.49Å; F621-E655 HydrophobicContact CE1-CG 4.08Å; F621-E655 VanDerWaalsContact CE1-OE2 3.26Å; F621-E655 WeakPolarHBondContact CE1-OE2 3.37Å; Y623-E655 HydrophobicContact CD1-CB 4.14Å; Y623-E655 HydrophobicContact CD1-CG 4.39Å; Y623-E655 HydrophobicContact CE1-CB 3.82Å; Y623-E655 HydrophobicContact CE1-CG 3.72Å; Y623-E655 WeakPolarHBondContact CE1-OE2 3.22Å; Y623-E655 PolarHBondContact OH-OE2 2.95Å; E655-Y657 HydrophobicContact CG-CD1 4.3Å; E655-Y691 PolarHBondContact OE1-OH 3.49Å
656	Y	83.1	Confident	65.8	Low	11 Å²	11	71.7 Å²	71.7	4%	0.043	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	130.5	161.2	-45.6	-88.4	0	0	0	109.1	R622 R624 T660 D668	R622-Y656 HydrophobicContact CB-CD2 4.26Å; R622-Y656 HydrophobicContact CG-CD2 3.92Å; R622-Y656 PolarHBondContact N-O 2.9Å; R622-Y656 PolarHBondContact O-N 3.47Å; R624-Y656 HydrophobicContact CB-CE2 3.72Å; R624-Y656 VanDerWaalsContact CD-OH 3.32Å; R624-Y656 WeakPolarHBondContact CD-OH 3.4Å; R624-Y656 PolarHBondContact NH1-OH 2.89Å; Y656-T660 HydrophobicContact CD1-CG2 3.81Å; Y656-T660 HydrophobicContact CE1-CG2 3.74Å; Y656-T660 HydrophobicContact CG-CG2 4.37Å; Y656-D668 WeakPolarHBondContact CE1-OD2 3.29Å; Y656-D668 VanDerWaalsContact OH-CG 3.22Å; Y656-D668 PolarHBondContact OH-OD2 3.44Å
657	Y	84.8	Confident	66.3	Low	76 Å²	76	75 Å²	75	30%	0.298	39%	0.386	S	S	.	.			trans	-122	-2.4	173	56	-84.6	0	0	0	112.1	R597 I600 V604 E655	R597-Y657 HydrophobicContact CB-CD2 4.39Å; R597-Y657 HydrophobicContact CB-CG 4.27Å; R597-Y657 VanDerWaalsContact CD-CE1 3.43Å; R597-Y657 HydrophobicContact CG-CD1 4.17Å; R597-Y657 HydrophobicContact CG-CD2 4.2Å; R597-Y657 HydrophobicContact CG-CE1 4.09Å; R597-Y657 HydrophobicContact CG-CE2 4.11Å; R597-Y657 HydrophobicContact CG-CG 4.23Å; I600-Y657 HydrophobicContact CB-CD2 4.22Å; I600-Y657 HydrophobicContact CD1-CD2 4.29Å; I600-Y657 HydrophobicContact CD1-CE2 4.17Å; I600-Y657 HydrophobicContact CG2-CD2 4.1Å; I600-Y657 WeakPolarHBondContact CG2-O 3.36Å; V604-Y657 WeakPolarHBondContact CG2-O 3.45Å; E655-Y657 HydrophobicContact CG-CD1 4.3Å
658	T	84.9	Confident	66.4	Low	52 Å²	52	72.5 Å²	72.5	32%	0.319	37%	0.373	S	S	.	.	S	Bend	trans	-114.4	158.1	176.5	49.8	0	0	0	0	111	I600 H606 T660	I600-T658 HydrophobicContact CG2-CG2 4.26Å; H606-T658 PolarHBondContact CE1-O 3.33Å; T658-T660 PolarHBondContact O-N 3.01Å
659	P	79.3	Confident	66.6	Low	93 Å²	93	70.4 Å²	70.4	60%	0.604	36%	0.364	S	S	*	.	P	Polyproline II helix	trans	-58.3	119.6	175.7	-23.1	34.6	0	0	0	111.4	V604 T661	V604-P659 HydrophobicContact CG1-CG 4.3Å; V604-P659 HydrophobicContact CG2-CG 4.18Å; P659-T661 PolarHBondContact O-N 3.16Å
660	T	69.9	Low	66.7	Low	35 Å²	35	70.4 Å²	70.4	22%	0.215	37%	0.372	C	S	.	.	P	Polyproline II helix	trans	-75.7	122.3	-168.5	-32.7	0	0	0	0	112.2	H606 R622 Y656 T658 E664 N665	H606-T660 PolarHBondContact CE1-OG1 3.04Å; H606-T660 PolarHBondContact ND1-OG1 3.2Å; R622-T660 PolarHBondContact NH1-OG1 3.39Å; Y656-T660 HydrophobicContact CD1-CG2 3.81Å; Y656-T660 HydrophobicContact CE1-CG2 3.74Å; Y656-T660 HydrophobicContact CG-CG2 4.37Å; T658-T660 PolarHBondContact O-N 3.01Å; T660-E664 HydrophobicContact CG2-CB 4.17Å; T660-N665 WeakPolarHBondContact CG2-ND2 3.5Å
661	T	64.4	Low	67.1	Low	64 Å²	64	64.9 Å²	64.9	39%	0.393	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-78.1	162.6	178	65.2	0	0	0	0	112.6	P659 S663 E664 N665	P659-T661 PolarHBondContact O-N 3.16Å; T661-S663 VanDerWaalsContact C-N 3.35Å; T661-S663 PolarHBondContact O-N 2.86Å; T661-S663 PolarHBondContact OG1-OG 3.4Å; T661-E664 WeakPolarHBondContact CB-OE2 3.46Å; T661-E664 PolarHBondContact N-OE2 3.1Å; T661-E664 VanDerWaalsContact OG1-CG 3.31Å; T661-E664 WeakPolarHBondContact OG1-CG 3.26Å; T661-E664 PolarHBondContact OG1-N 3.23Å; T661-E664 PolarHBondContact OG1-OE2 3.23Å; T661-N665 PolarHBondContact O-N 2.99Å; T661-N665 PolarHBondContact O-ND2 3.01Å
662	S	58.1	Low	67.2	Low	108 Å²	108	62.2 Å²	62.2	76%	0.755	34%	0.34	S	S	*	.	H	α-helix	trans	-66.4	-34.7	178.2	52.3	0	0	0	0	112.9	N665 M666	S662-N665 PolarHBondContact O-N 2.93Å; S662-M666 PolarHBondContact O-N 2.57Å
663	S	59.3	Low	67.3	Low	63 Å²	63	63.1 Å²	63.1	44%	0.441	34%	0.342	S	S	.	.	H	α-helix	trans	-69.1	-37.4	178.5	57.2	0	0	0	0	112.5	T661 M666 R667	T661-S663 VanDerWaalsContact C-N 3.35Å; T661-S663 PolarHBondContact O-N 2.86Å; T661-S663 PolarHBondContact OG1-OG 3.4Å; S663-M666 WeakPolarHBondContact O-CB 3.26Å; S663-M666 PolarHBondContact O-N 2.92Å; S663-R667 WeakPolarHBondContact O-CG 3.22Å; S663-R667 PolarHBondContact O-N 3.4Å
664	E	62.8	Low	66.9	Low	42 Å²	42	67.6 Å²	67.6	20%	0.196	36%	0.36	C	S	.	.	H	α-helix	trans	-59.8	-49.5	173.2	-77.5	160.5	154.7	0	0	111.9	T660 T661 M666 R667 D668	T660-E664 HydrophobicContact CG2-CB 4.17Å; T661-E664 WeakPolarHBondContact CB-OE2 3.46Å; T661-E664 PolarHBondContact N-OE2 3.1Å; T661-E664 VanDerWaalsContact OG1-CG 3.31Å; T661-E664 WeakPolarHBondContact OG1-CG 3.26Å; T661-E664 PolarHBondContact OG1-N 3.23Å; T661-E664 PolarHBondContact OG1-OE2 3.23Å; E664-M666 PolarHBondContact O-N 2.86Å; E664-M666 VanDerWaalsContact O-N 3.1Å; E664-R667 WeakPolarHBondContact O-CB 3.35Å; E664-R667 PolarHBondContact O-N 3.1Å; E664-R667 IonicContact OE1-NH2 3.93Å; E664-D668 PolarHBondContact O-N 3.4Å; E664-D668 VanDerWaalsContact O-OD2 3.11Å
665	N	59.7	Low	66.1	Low	47 Å²	47	64.9 Å²	64.9	25%	0.251	35%	0.347	S	S	.	.	H	α-helix	trans	-57.9	-28.7	177.4	-74.5	-80.6	0	0	0	112.9	R624 T660 T661 S662 F669	R624-N665 PolarHBondContact NH1-OD1 3.22Å; T660-N665 WeakPolarHBondContact CG2-ND2 3.5Å; T661-N665 PolarHBondContact O-N 2.99Å; T661-N665 PolarHBondContact O-ND2 3.01Å; S662-N665 PolarHBondContact O-N 2.93Å; N665-F669 WeakPolarHBondContact O-CB 3.35Å; N665-F669 PolarHBondContact O-N 3.42Å; N665-F669 VanDerWaalsContact O-N 3.14Å
666	M	57.6	Low	64.8	Low	140 Å²	140	69 Å²	69	69%	0.69	36%	0.364	S	S	*	.	H	α-helix	trans	-76.9	-41.6	173.5	-170	-177.6	-69	0	0	112.6	S662 S663 E664 D668 F669 A670	S662-M666 PolarHBondContact O-N 2.57Å; S663-M666 WeakPolarHBondContact O-CB 3.26Å; S663-M666 PolarHBondContact O-N 2.92Å; E664-M666 PolarHBondContact O-N 2.86Å; E664-M666 VanDerWaalsContact O-N 3.1Å; M666-D668 VanDerWaalsContact C-N 3.31Å; M666-D668 PolarHBondContact O-N 3.42Å; M666-F669 PolarHBondContact O-N 3.19Å; M666-A670 PolarHBondContact O-N 2.97Å; M666-A670 VanDerWaalsContact O-N 3.09Å
667	R	63.6	Low	63.5	Low	152 Å²	152	77.2 Å²	77.2	57%	0.574	40%	0.401	S	S	*	.	H	α-helix	trans	-58.4	-44.3	172.4	-67.5	-169	-65.5	-135.9	7.4	111	S663 E664 A670 T671	S663-R667 WeakPolarHBondContact O-CG 3.22Å; S663-R667 PolarHBondContact O-N 3.4Å; E664-R667 WeakPolarHBondContact O-CB 3.35Å; E664-R667 PolarHBondContact O-N 3.1Å; E664-R667 IonicContact OE1-NH2 3.93Å; R667-A670 PolarHBondContact O-N 3.18Å; R667-T671 PolarHBondContact O-N 2.92Å; R667-T671 PolarHBondContact O-OG1 3.21Å
668	D	55.2	Low	62.6	Low	14 Å²	14	77.7 Å²	77.7	8%	0.075	40%	0.402	C	S	.	.	H	α-helix	trans	-73.4	-27.4	-178.6	-65.8	-47.4	0	0	0	113.5	Y656 E664 M666 T671 T672	Y656-D668 WeakPolarHBondContact CE1-OD2 3.29Å; Y656-D668 VanDerWaalsContact OH-CG 3.22Å; Y656-D668 PolarHBondContact OH-OD2 3.44Å; E664-D668 PolarHBondContact O-N 3.4Å; E664-D668 VanDerWaalsContact O-OD2 3.11Å; M666-D668 VanDerWaalsContact C-N 3.31Å; M666-D668 PolarHBondContact O-N 3.42Å; D668-T671 WeakPolarHBondContact CA-OG1 3.25Å; D668-T671 PolarHBondContact O-OG1 3.24Å; D668-T672 VanDerWaalsContact O-CB 3.23Å; D668-T672 WeakPolarHBondContact O-CB 3.39Å; D668-T672 PolarHBondContact O-N 3.4Å; D668-T672 PolarHBondContact O-OG1 2.87Å
669	F	58.1	Low	61	Low	103 Å²	103	78.7 Å²	78.7	45%	0.452	41%	0.411	S	S	.	.	H	α-helix	trans	-64.6	-45	167.6	-178.3	-103.6	0	0	0	111.2	F629 N665 M666 T672 L673	F629-F669 HydrophobicContact CD1-CD2 4.38Å; F629-F669 HydrophobicContact CD1-CE2 4.37Å; F629-F669 AromaticContact CE1-CD2 3.98Å; F629-F669 HydrophobicContact CE1-CD2 3.98Å; F629-F669 AromaticContact CE1-CE2 3.86Å; F629-F669 HydrophobicContact CE1-CE2 3.86Å; N665-F669 WeakPolarHBondContact O-CB 3.35Å; N665-F669 PolarHBondContact O-N 3.42Å; N665-F669 VanDerWaalsContact O-N 3.14Å; M666-F669 PolarHBondContact O-N 3.19Å; F669-T672 PolarHBondContact O-N 2.83Å; F669-L673 HydrophobicContact CD1-CD1 3.86Å; F669-L673 HydrophobicContact CE1-CD1 3.49Å; F669-L673 VanDerWaalsContact CE1-CD1 3.49Å; F669-L673 HydrophobicContact CZ-CD1 3.92Å; F669-L673 PolarHBondContact O-N 2.91Å
670	A	59.4	Low	59.9	Low	55 Å²	55	84 Å²	84	46%	0.455	43%	0.425	S	S	.	.	H	α-helix	trans	-66.4	-40.1	177.5	0	0	0	0	0	113	M666 R667 K674	M666-A670 PolarHBondContact O-N 2.97Å; M666-A670 VanDerWaalsContact O-N 3.09Å; R667-A670 PolarHBondContact O-N 3.18Å; A670-K674 WeakPolarHBondContact O-CB 3.31Å; A670-K674 PolarHBondContact O-N 3.28Å
671	T	60.2	Low	58.8	Low	55 Å²	55	87.9 Å²	87.9	34%	0.337	44%	0.44	S	S	.	.	H	α-helix	trans	-70.1	-37.3	174.6	58.7	0	0	0	0	112	R667 D668 L673 K674 N675	R667-T671 PolarHBondContact O-N 2.92Å; R667-T671 PolarHBondContact O-OG1 3.21Å; D668-T671 WeakPolarHBondContact CA-OG1 3.25Å; D668-T671 PolarHBondContact O-OG1 3.24Å; T671-L673 PolarHBondContact O-N 2.9Å; T671-K674 PolarHBondContact O-N 2.82Å; T671-N675 WeakPolarHBondContact O-CB 3.45Å; T671-N675 PolarHBondContact O-N 3.48Å; T671-N675 PolarHBondContact O-ND2 3.49Å
672	T	60.1	Low	58.5	Low	3 Å²	3	88.4 Å²	88.4	2%	0.018	44%	0.436	C	S	.	.	H	α-helix	trans	-61.8	-42.7	173.7	-59.8	0	0	0	0	111.5	F629 D668 F669 N675 K676	F629-T672 HydrophobicContact CD1-CG2 3.67Å; F629-T672 HydrophobicContact CE1-CG2 3.6Å; F629-T672 HydrophobicContact CG-CG2 4.35Å; F629-T672 HydrophobicContact CZ-CG2 4.23Å; D668-T672 VanDerWaalsContact O-CB 3.23Å; D668-T672 WeakPolarHBondContact O-CB 3.39Å; D668-T672 PolarHBondContact O-N 3.4Å; D668-T672 PolarHBondContact O-OG1 2.87Å; F669-T672 PolarHBondContact O-N 2.83Å; T672-N675 PolarHBondContact O-N 2.95Å; T672-K676 PolarHBondContact O-N 3.36Å
673	L	60.6	Low	58.1	Low	69 Å²	69	86 Å²	86	36%	0.361	41%	0.412	S	S	.	.	H	α-helix	trans	-59.4	-53.2	171.2	-81	165.5	0	0	0	111.4	F629 F669 T671 N675 K676 F677	F629-L673 HydrophobicContact CE1-CG 4.36Å; F629-L673 HydrophobicContact CZ-CD2 3.81Å; F629-L673 HydrophobicContact CZ-CG 4.02Å; F669-L673 HydrophobicContact CD1-CD1 3.86Å; F669-L673 HydrophobicContact CE1-CD1 3.49Å; F669-L673 VanDerWaalsContact CE1-CD1 3.49Å; F669-L673 HydrophobicContact CZ-CD1 3.92Å; F669-L673 PolarHBondContact O-N 2.91Å; T671-L673 PolarHBondContact O-N 2.9Å; L673-N675 PolarHBondContact O-N 2.71Å; L673-K676 PolarHBondContact O-N 2.71Å; L673-K676 VanDerWaalsContact O-N 3.12Å; L673-F677 VanDerWaalsContact O-CD2 3.3Å; L673-F677 WeakPolarHBondContact O-CD2 3.28Å
674	K	62.3	Low	57.7	Low	138 Å²	138	86.8 Å²	86.8	60%	0.6	42%	0.417	S	S	*	.	H	α-helix	trans	-58.9	-31.8	179.2	-167.7	170.5	-174.6	172.2	0	112.8	A670 T671 R678	A670-K674 WeakPolarHBondContact O-CB 3.31Å; A670-K674 PolarHBondContact O-N 3.28Å; T671-K674 PolarHBondContact O-N 2.82Å; K674-R678 WeakPolarHBondContact O-CD 3.21Å; K674-R678 WeakPolarHBondContact O-CG 3.32Å
675	N	61	Low	56.7	Low	17 Å²	17	91.9 Å²	91.9	9%	0.091	44%	0.438	C	S	.	.	H	α-helix	trans	-81.1	-26.6	178.1	-75.1	-20.7	0	0	0	113.8	T671 T672 L673 F677 R678 F683	T671-N675 WeakPolarHBondContact O-CB 3.45Å; T671-N675 PolarHBondContact O-N 3.48Å; T671-N675 PolarHBondContact O-ND2 3.49Å; T672-N675 PolarHBondContact O-N 2.95Å; L673-N675 PolarHBondContact O-N 2.71Å; N675-F677 VanDerWaalsContact C-N 3.27Å; N675-F677 PolarHBondContact O-N 3.19Å; N675-R678 PolarHBondContact O-N 3.12Å; N675-R678 WeakPolarHBondContact OD1-CD 3.37Å; N675-R678 PolarHBondContact OD1-NH1 2.93Å; N675-F683 HydrophobicContact CB-CE1 4.38Å; N675-F683 HydrophobicContact CB-CZ 3.81Å
676	K	56.9	Low	55.8	Low	111 Å²	111	94.5 Å²	94.5	48%	0.483	45%	0.449	S	S	.	.	H	α-helix	trans	-65.2	-28.1	172	-84.2	-161.5	171.4	-160.8	0	113.8	K627 F629 T672 L673 R678	K627-K676 WeakPolarHBondContact O-CE 3.32Å; F629-K676 HydrophobicContact CD2-CD 4.43Å; F629-K676 HydrophobicContact CE2-CD 3.79Å; F629-K676 HydrophobicContact CZ-CD 4.33Å; T672-K676 PolarHBondContact O-N 3.36Å; L673-K676 PolarHBondContact O-N 2.71Å; L673-K676 VanDerWaalsContact O-N 3.12Å; K676-R678 VanDerWaalsContact C-N 3.35Å
677	F	56.3	Low	55.1	Low	185 Å²	185	92.9 Å²	92.9	81%	0.811	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.7	5.6	176.5	-66	-74.9	0	0	0	114.1	L673 N675	L673-F677 VanDerWaalsContact O-CD2 3.3Å; L673-F677 WeakPolarHBondContact O-CD2 3.28Å; N675-F677 VanDerWaalsContact C-N 3.27Å; N675-F677 PolarHBondContact O-N 3.19Å
678	R	64.2	Low	54.4	Low	85 Å²	85	94 Å²	94	32%	0.321	46%	0.461	S	S	.	.	S	Bend	trans	-99.6	137.2	179.7	-77.8	163.4	157.5	-171.2	-12.6	111.1	K674 N675 K676 Y682 F683	K674-R678 WeakPolarHBondContact O-CD 3.21Å; K674-R678 WeakPolarHBondContact O-CG 3.32Å; N675-R678 PolarHBondContact O-N 3.12Å; N675-R678 WeakPolarHBondContact OD1-CD 3.37Å; N675-R678 PolarHBondContact OD1-NH1 2.93Å; K676-R678 VanDerWaalsContact C-N 3.35Å; R678-Y682 HydrophobicContact CB-CD1 3.86Å; R678-Y682 HydrophobicContact CB-CG 4.15Å; R678-Y682 HydrophobicContact CG-CD1 3.98Å; R678-Y682 HydrophobicContact CG-CE1 4.32Å; R678-Y682 HydrophobicContact CG-CG 4.24Å; R678-Y682 VanDerWaalsContact CZ-CE1 3.49Å; R678-Y682 VanDerWaalsContact CZ-CZ 3.44Å; R678-Y682 PolarHBondContact NH2-OH 3.42Å; R678-F683 HydrophobicContact CB-CE2 3.62Å; R678-F683 HydrophobicContact CB-CZ 3.76Å
679	S	52.5	Low	53.9	Low	74 Å²	74	100.7 Å²	100.7	52%	0.517	49%	0.485	S	S	.	.			trans	-70.9	160.6	-173.5	72.4	0	0	0	0	113	H681 Y682 F683	S679-H681 PolarHBondContact O-N 2.82Å; S679-H681 VanDerWaalsContact O-N 3.1Å; S679-H681 PolarHBondContact OG-N 2.76Å; S679-Y682 WeakPolarHBondContact O-CB 3.5Å; S679-Y682 PolarHBondContact O-N 2.88Å; S679-Y682 PolarHBondContact OG-N 3.02Å; S679-F683 WeakPolarHBondContact O-CD2 3.1Å
680	K	55.3	Low	53.2	Low	204 Å²	204	98.8 Å²	98.8	89%	0.887	49%	0.494	S	S	*	.	H	α-helix	trans	-52.2	-32.8	172.4	-168.6	-176.7	178.6	-170.2	0	111.8	S684	K680-S684 PolarHBondContact O-N 2.73Å
681	H	47.4	Very low	52.7	Low	117 Å²	117	98.1 Å²	98.1	54%	0.542	48%	0.48	S	S	.	.	H	α-helix	trans	-77.8	-24.6	-179.9	-156.8	-11.7	0	0	0	114	S679 S684 K685	S679-H681 PolarHBondContact O-N 2.82Å; S679-H681 VanDerWaalsContact O-N 3.1Å; S679-H681 PolarHBondContact OG-N 2.76Å; H681-S684 PolarHBondContact ND1-OG 3.26Å; H681-S684 PolarHBondContact O-OG 3.32Å; H681-S684 VanDerWaalsContact O-OG 3.09Å; H681-K685 PolarHBondContact O-N 3.08Å
682	Y	57.8	Low	52.2	Low	75 Å²	75	99.6 Å²	99.6	29%	0.294	49%	0.485	S	S	.	.	H	α-helix	trans	-64.6	-44.2	172.9	179.8	-95.9	0	0	0	110.9	R678 S679 K685 H686	R678-Y682 HydrophobicContact CB-CD1 3.86Å; R678-Y682 HydrophobicContact CB-CG 4.15Å; R678-Y682 HydrophobicContact CG-CD1 3.98Å; R678-Y682 HydrophobicContact CG-CE1 4.32Å; R678-Y682 HydrophobicContact CG-CG 4.24Å; R678-Y682 VanDerWaalsContact CZ-CE1 3.49Å; R678-Y682 VanDerWaalsContact CZ-CZ 3.44Å; R678-Y682 PolarHBondContact NH2-OH 3.42Å; S679-Y682 WeakPolarHBondContact O-CB 3.5Å; S679-Y682 PolarHBondContact O-N 2.88Å; S679-Y682 PolarHBondContact OG-N 3.02Å; Y682-K685 PolarHBondContact O-N 2.82Å; Y682-H686 AromaticContact CD2-CD2 3.69Å; Y682-H686 AromaticContact CE2-CD2 3.27Å; Y682-H686 WeakPolarHBondContact CE2-CD2 3.47Å; Y682-H686 AromaticContact CE2-NE2 3.61Å; Y682-H686 AromaticContact CZ-CD2 3.46Å; Y682-H686 VanDerWaalsContact CZ-CD2 3.46Å; Y682-H686 PolarHBondContact O-CD2 3.34Å; Y682-H686 PolarHBondContact O-N 2.87Å
683	F	50.5	Low	51.5	Low	58 Å²	58	103.8 Å²	103.8	25%	0.254	51%	0.512	S	S	.	.	H	α-helix	trans	-74.5	-23.5	-178.7	-64.3	-71.5	0	0	0	114	P652 N675 R678 S679 H686	P652-F683 HydrophobicContact CG-CD1 3.64Å; P652-F683 HydrophobicContact CG-CE1 3.86Å; N675-F683 HydrophobicContact CB-CE1 4.38Å; N675-F683 HydrophobicContact CB-CZ 3.81Å; R678-F683 HydrophobicContact CB-CE2 3.62Å; R678-F683 HydrophobicContact CB-CZ 3.76Å; S679-F683 WeakPolarHBondContact O-CD2 3.1Å; F683-H686 CarbonylContact O-C 3.45Å
684	S	50.5	Low	50.6	Low	78 Å²	78	103.9 Å²	103.9	55%	0.545	52%	0.516	S	S	.	.	H	α-helix	trans	-75.3	-26.7	170.9	63	0	0	0	0	113.2	K680 H681	K680-S684 PolarHBondContact O-N 2.73Å; H681-S684 PolarHBondContact ND1-OG 3.26Å; H681-S684 PolarHBondContact O-OG 3.32Å; H681-S684 VanDerWaalsContact O-OG 3.09Å
685	K	42.1	Very low	49.2	Very low	149 Å²	149	106 Å²	106	65%	0.648	53%	0.528	S	S	*	.	H	α-helix	trans	-88.3	-13	173.8	-75.1	-174.6	169.3	179.2	0	114.2	H681 Y682	H681-K685 PolarHBondContact O-N 3.08Å; Y682-K685 PolarHBondContact O-N 2.82Å
686	H	41.4	Very low	47.8	Very low	103 Å²	103	108.5 Å²	108.5	48%	0.477	55%	0.547	S	S	.	.			trans	-133.9	68.3	176.4	-57.9	-66.6	0	0	0	113.4	Y682 F683 Q688	Y682-H686 AromaticContact CD2-CD2 3.69Å; Y682-H686 AromaticContact CE2-CD2 3.27Å; Y682-H686 WeakPolarHBondContact CE2-CD2 3.47Å; Y682-H686 AromaticContact CE2-NE2 3.61Å; Y682-H686 AromaticContact CZ-CD2 3.46Å; Y682-H686 VanDerWaalsContact CZ-CD2 3.46Å; Y682-H686 PolarHBondContact O-CD2 3.34Å; Y682-H686 PolarHBondContact O-N 2.87Å; F683-H686 CarbonylContact O-C 3.45Å; H686-Q688 PolarHBondContact O-N 3.36Å
687	P	42.2	Very low	46.8	Very low	105 Å²	105	110 Å²	110	68%	0.682	57%	0.565	S	S	*	*			trans	-64.8	124.3	160.5	-11.4	27.7	0	0	0	109.2
688	Q	49.3	Very low	45.6	Very low	176 Å²	176	109 Å²	109	82%	0.822	57%	0.567	S	S	*	*			trans	-105.5	138.9	171.1	-73.2	-165.6	-56.6	0	0	110.3	H686	H686-Q688 PolarHBondContact O-N 3.36Å
689	R	44.7	Very low	43.9	Very low	155 Å²	155	111.8 Å²	111.8	59%	0.585	58%	0.584	S	S	*	*	S	Bend	trans	44.3	77.2	-176.3	-74.1	-169.3	163.7	159.9	2.2	113.3	E585 Y691	E585-R689 IonicContact OE2-CZ 2.93Å; E585-R689 IonicContact OE2-NE 2.93Å; E585-R689 PolarHBondContact OE2-NE 2.95Å; E585-R689 IonicContact OE2-NH1 3.98Å; E585-R689 IonicContact OE2-NH2 2.75Å; E585-R689 PolarHBondContact OE2-NH2 2.75Å; E585-R689 VanDerWaalsContact OE2-NH2 3.12Å; R689-Y691 HydrophobicContact CB-CE2 4.27Å; R689-Y691 PolarHBondContact O-N 2.81Å
690	G	41.8	Very low	42.7	Very low	62 Å²	62	112.5 Å²	112.5	64%	0.639	59%	0.594	S	S	*	*			trans	-70	75.4	172.4	0	0	0	0	0	112.3	L692	G690-L692 PolarHBondContact O-N 2.71Å
691	Y	49.9	Very low	41.3	Very low	42 Å²	42	109.6 Å²	109.6	17%	0.165	59%	0.588	C	S	.	*			trans	-61.6	103.1	162.1	-59.3	-61.1	0	0	0	108	Y403 R597 E655 R689 P693	Y403-Y691 AromaticContact CE2-CD1 3.78Å; Y403-Y691 HydrophobicContact CE2-CD1 3.78Å; Y403-Y691 HydrophobicContact CE2-CD2 4.08Å; Y403-Y691 AromaticContact CE2-CE1 4Å; Y403-Y691 HydrophobicContact CE2-CE1 4Å; Y403-Y691 HydrophobicContact CE2-CE2 4.26Å; Y403-Y691 AromaticContact CE2-CG 3.82Å; Y403-Y691 HydrophobicContact CE2-CG 3.82Å; Y403-Y691 VanDerWaalsContact OH-CE2 3.24Å; Y403-Y691 WeakPolarHBondContact OH-CE2 3.35Å; Y403-Y691 PolarHBondContact OH-OH 3.27Å; R597-Y691 PolarHBondContact NH2-OH 3.28Å; E655-Y691 PolarHBondContact OE1-OH 3.49Å; R689-Y691 HydrophobicContact CB-CE2 4.27Å; R689-Y691 PolarHBondContact O-N 2.81Å; Y691-P693 VanDerWaalsContact O-CD 3.23Å; Y691-P693 WeakPolarHBondContact O-CD 3.33Å; Y691-P693 VanDerWaalsContact O-N 3.08Å
692	L	49.5	Very low	40.4	Very low	86 Å²	86	114.4 Å²	114.4	45%	0.45	60%	0.603	S	S	.	*			trans	-52.3	116.3	-175.4	-65.7	-180	0	0	0	110.1	Q587 G690	Q587-L692 HydrophobicContact CG-CD1 4.35Å; G690-L692 PolarHBondContact O-N 2.71Å
693	P	45.4	Very low	38.8	Very low	90 Å²	90	116 Å²	116	58%	0.584	63%	0.626	S	S	*	*	B	Isolated β-bridge	trans	-62.2	142.9	164.7	-15.2	30.4	0	0	0	107.9	Y691 Q695	Y691-P693 VanDerWaalsContact O-CD 3.23Å; Y691-P693 WeakPolarHBondContact O-CD 3.33Å; Y691-P693 VanDerWaalsContact O-N 3.08Å; P693-Q695 PolarHBondContact O-N 2.82Å
694	V	41.3	Very low	37.7	Very low	71 Å²	71	122.3 Å²	122.3	43%	0.43	66%	0.656	S	S	.	*			trans	-62.6	106.8	164.9	174	0	0	0	0	107.7	K399 R404 S696	K399-V694 PolarHBondContact O-N 2.9Å; R404-V694 VanDerWaalsContact NH1-CG2 3.33Å; V694-S696 PolarHBondContact O-N 3.38Å
695	Q	34.3	Very low	36.5	Very low	182 Å²	182	124.5 Å²	124.5	85%	0.85	67%	0.666	S	S	*	*			trans	-82.1	72.1	-179.3	-165.4	160	-2.3	0	0	109.4	P693 V697	P693-Q695 PolarHBondContact O-N 2.82Å; Q695-V697 PolarHBondContact O-N 3.29Å
696	S	31.4	Very low	35.8	Very low	71 Å²	71	123.6 Å²	123.6	50%	0.497	68%	0.676	S	S	.	*			trans	-56.6	127.7	172.6	49.3	0	0	0	0	110.1	V694 L698	V694-S696 PolarHBondContact O-N 3.38Å; S696-L698 PolarHBondContact O-N 3.18Å
697	V	34.2	Very low	35	Very low	141 Å²	141	122.7 Å²	122.7	86%	0.855	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69	13	-168.6	-175.3	0	0	0	0	113.7	Q695	Q695-V697 PolarHBondContact O-N 3.29Å
698	L	31.5	Very low	34.1	Very low	166 Å²	166	123.7 Å²	123.7	87%	0.869	70%	0.695	S	S	*	*	T	Hydrogen-bonded Turn	trans	-124.7	6.9	-168.5	-61.5	176.1	0	0	0	115.4	S696	S696-L698 PolarHBondContact O-N 3.18Å
699	E	29.4	Very low	32.9	Very low	142 Å²	142	120.6 Å²	120.6	66%	0.664	69%	0.693	S	S	*	*			trans	-109.6	67.7	168.4	-79.8	-166.4	-156.8	0	0	111.4
700	A	26.9	Very low	32.1	Very low	89 Å²	89	119.4 Å²	119.4	74%	0.736	71%	0.705	S	S	*	*			trans	-103.1	62.6	172.7	0	0	0	0	0	111.6
701	D	25.5	Very low	31.3	Very low	143 Å²	143	124.5 Å²	124.5	77%	0.765	72%	0.715	S	S	*	*			trans	-67.3	143.2	171.4	-91	-32.5	0	0	0	111.4
702	Y	28.7	Very low	30.2	Very low	218 Å²	218	130.3 Å²	130.3	86%	0.855	75%	0.748	S	S	*	*			trans	-71.2	158.2	-170.9	-86.6	-116.9	0	0	0	115.2
703	S	25.4	Very low	29.1	Very low	110 Å²	110	131.8 Å²	131.8	77%	0.769	77%	0.765	S	S	*	*			trans	104.6	129.3	152.3	-57.3	0	0	0	0	119.9
704	E	25.8	Very low	28.6	Very low	190 Å²	190	133.9 Å²	133.9	89%	0.888	77%	0.767	S	S	*	*			trans	70	80.5	158.4	-63.7	-174.8	-177.3	0	0	120.3
705	T	25.2	Very low	28.5	Very low	124 Å²	124	134.4 Å²	134.4	76%	0.761	78%	0.778	S	S	*	*			trans	-68.2	150.6	140.3	-6.5	0	0	0	0	110.4	A707	T705-A707 HydrophobicContact CG2-CB 4.49Å
706	P	28.5	Very low	29	Very low	130 Å²	130	130.7 Å²	130.7	84%	0.844	77%	0.765	S	S	*	*				-113.7	143.6	108.4	-14	31.3	0	0	0	113.3
707	A	24.2	Very low	29.6	Very low	83 Å²	83	129.7 Å²	129.7	69%	0.686	76%	0.756	S	S	*	*			trans	-92.3	163.4	-172.6	0	0	0	0	0	114	T705	T705-A707 HydrophobicContact CG2-CB 4.49Å
708	S	23.4	Very low	30	Very low	126 Å²	126	129.3 Å²	129.3	88%	0.881	74%	0.744	S	S	*	*			trans	-164.7	80.1	157.1	-79.9	0	0	0	0	111.8
709	S	23.1	Very low	30.6	Very low	112 Å²	112	124.7 Å²	124.7	78%	0.783	73%	0.726	S	S	*	*	S	Bend	trans	-149.7	144.1	155.4	-91.8	0	0	0	0	108
710	P	28.4	Very low	31.3	Very low	129 Å²	129	125.3 Å²	125.3	84%	0.838	72%	0.722	S	S	*	*			trans	-73.8	155.7	-169.8	29.6	-35.5	0	0	0	113.6
711	M	25.7	Very low	32.5	Very low	170 Å²	170	125.9 Å²	125.9	84%	0.837	71%	0.711	S	S	*	*			trans	-76.3	136.5	-175.2	-60.1	-102	71.4	0	0	112.9
712	L	26.5	Very low	33.3	Very low	164 Å²	164	125.5 Å²	125.5	86%	0.859	71%	0.705	S	S	*	*			trans	-126.9	155.2	137	-75.8	177.9	0	0	0	107.9	H714	L712-H714 PolarHBondContact O-N 2.73Å
713	S	26.2	Very low	33.9	Very low	116 Å²	116	120.4 Å²	120.4	81%	0.811	69%	0.689	S	S	*	*			trans	-71.7	115	-153.5	53.1	0	0	0	0	114.9
714	H	35.5	Very low	35	Very low	134 Å²	134	119.6 Å²	119.6	62%	0.62	67%	0.672	S	S	*	*			trans	-110.5	116.4	157.4	-106.7	-122.4	0	0	0	109.3	L712 T717	L712-H714 PolarHBondContact O-N 2.73Å; H714-T717 PolarHBondContact CD2-OG1 3.17Å; H714-T717 VanDerWaalsContact CD2-OG1 3.32Å; H714-T717 VanDerWaalsContact CE1-CB 3.41Å; H714-T717 WeakPolarHBondContact CE1-CB 3.34Å; H714-T717 PolarHBondContact CE1-OG1 3.25Å; H714-T717 VanDerWaalsContact CE1-OG1 3.28Å; H714-T717 PolarHBondContact ND1-OG1 2.94Å; H714-T717 PolarHBondContact NE2-OG1 2.98Å
715	A	38.3	Very low	36	Very low	82 Å²	82	113.1 Å²	113.1	68%	0.678	65%	0.651	S	S	*	*	S	Bend	trans	-141.6	-59.7	163	0	0	0	0	0	108.1	T717	A715-T717 PolarHBondContact O-N 3.24Å
716	D	45.6	Very low	37.2	Very low	105 Å²	105	109.9 Å²	109.9	56%	0.561	63%	0.633	S	S	*	*	H	α-helix	trans	-86.1	-1.8	-175.4	-60.3	-56.9	0	0	0	115.4	H718 S719 R720	D716-H718 PolarHBondContact O-N 3.15Å; D716-S719 PolarHBondContact O-N 3.33Å; D716-R720 HydrophobicContact CB-CG 4.34Å; D716-R720 WeakPolarHBondContact O-CB 3.18Å; D716-R720 WeakPolarHBondContact O-CG 3.2Å; D716-R720 PolarHBondContact O-N 3.44Å
717	T	42.8	Very low	38	Very low	50 Å²	50	109.8 Å²	109.8	31%	0.307	62%	0.616	S	S	.	*	H	α-helix	trans	-65.3	-38.8	-175.6	-30.6	0	0	0	0	112.3	H714 A715 I721	H714-T717 PolarHBondContact CD2-OG1 3.17Å; H714-T717 VanDerWaalsContact CD2-OG1 3.32Å; H714-T717 VanDerWaalsContact CE1-CB 3.41Å; H714-T717 WeakPolarHBondContact CE1-CB 3.34Å; H714-T717 PolarHBondContact CE1-OG1 3.25Å; H714-T717 VanDerWaalsContact CE1-OG1 3.28Å; H714-T717 PolarHBondContact ND1-OG1 2.94Å; H714-T717 PolarHBondContact NE2-OG1 2.98Å; A715-T717 PolarHBondContact O-N 3.24Å; T717-I721 HydrophobicContact CG2-CD1 4.1Å; T717-I721 WeakPolarHBondContact O-CB 3.18Å; T717-I721 WeakPolarHBondContact O-CD1 3.14Å; T717-I721 WeakPolarHBondContact O-CG1 3.34Å; T717-I721 PolarHBondContact O-N 3.24Å
718	H	43.2	Very low	39.1	Very low	133 Å²	133	110.1 Å²	110.1	62%	0.616	61%	0.606	S	S	*	*	H	α-helix	trans	-74.1	-45.2	176.9	-74.8	-78.3	0	0	0	111.9	D716 R720 I721 E722	D716-H718 PolarHBondContact O-N 3.15Å; H718-R720 VanDerWaalsContact C-N 3.27Å; H718-R720 PolarHBondContact O-N 2.89Å; H718-I721 PolarHBondContact O-N 3.09Å; H718-E722 WeakPolarHBondContact O-CB 3.42Å; H718-E722 PolarHBondContact O-N 3.24Å
719	S	45.3	Very low	40.3	Very low	69 Å²	69	106.7 Å²	106.7	48%	0.483	59%	0.585	S	S	.	*	H	α-helix	trans	-54.4	-42.7	171.8	169.1	0	0	0	0	112	D716 H723	D716-S719 PolarHBondContact O-N 3.33Å; S719-H723 VanDerWaalsContact O-CB 3.23Å; S719-H723 WeakPolarHBondContact O-CB 3.49Å; S719-H723 PolarHBondContact O-N 2.99Å
720	R	43.8	Very low	41.3	Very low	154 Å²	154	106.3 Å²	106.3	58%	0.581	57%	0.571	S	S	*	*	H	α-helix	trans	-72.7	-39	176.7	-70.9	172.8	65.7	-170.1	0	112.9	D716 H718 E722 H723 F724	D716-R720 HydrophobicContact CB-CG 4.34Å; D716-R720 WeakPolarHBondContact O-CB 3.18Å; D716-R720 WeakPolarHBondContact O-CG 3.2Å; D716-R720 PolarHBondContact O-N 3.44Å; H718-R720 VanDerWaalsContact C-N 3.27Å; H718-R720 PolarHBondContact O-N 2.89Å; R720-E722 VanDerWaalsContact C-N 3.33Å; R720-H723 PolarHBondContact O-N 3.45Å; R720-F724 HydrophobicContact CB-CD2 4.29Å; R720-F724 HydrophobicContact CB-CE2 4.26Å; R720-F724 VanDerWaalsContact O-CB 3.25Å; R720-F724 WeakPolarHBondContact O-CB 3.46Å; R720-F724 WeakPolarHBondContact O-CD2 3.28Å; R720-F724 VanDerWaalsContact O-CG 3.3Å; R720-F724 WeakPolarHBondContact O-CG 3.42Å; R720-F724 PolarHBondContact O-N 3.11Å
721	I	50.8	Low	41.9	Very low	101 Å²	101	104.8 Å²	104.8	52%	0.518	55%	0.554	S	S	.	*	H	α-helix	trans	-64.7	-40	174.3	-73.8	165.4	0	0	0	110.4	T717 H718 F724 A725	T717-I721 HydrophobicContact CG2-CD1 4.1Å; T717-I721 WeakPolarHBondContact O-CB 3.18Å; T717-I721 WeakPolarHBondContact O-CD1 3.14Å; T717-I721 WeakPolarHBondContact O-CG1 3.34Å; T717-I721 PolarHBondContact O-N 3.24Å; H718-I721 PolarHBondContact O-N 3.09Å; I721-F724 PolarHBondContact O-N 3.07Å; I721-A725 WeakPolarHBondContact O-CB 3.48Å; I721-A725 PolarHBondContact O-N 2.94Å
722	E	44	Very low	42.7	Very low	136 Å²	136	102.3 Å²	102.3	64%	0.636	54%	0.54	S	S	*	.	H	α-helix	trans	-66.6	-45.8	175	-168.7	164.1	-141.5	0	0	110.8	H718 R720 F724 A725 S726	H718-E722 WeakPolarHBondContact O-CB 3.42Å; H718-E722 PolarHBondContact O-N 3.24Å; R720-E722 VanDerWaalsContact C-N 3.33Å; E722-F724 VanDerWaalsContact C-N 3.32Å; E722-F724 PolarHBondContact O-N 3.33Å; E722-A725 CarbonylContact O-C 3.55Å; E722-A725 PolarHBondContact O-N 3.24Å; E722-S726 WeakPolarHBondContact O-CB 3.23Å; E722-S726 PolarHBondContact O-N 2.56Å; E722-S726 PolarHBondContact O-OG 3.44Å
723	H	40.5	Very low	43.3	Very low	111 Å²	111	98.3 Å²	98.3	51%	0.514	53%	0.526	S	S	.	.	H	α-helix	trans	-66.7	-29.5	175	-168.2	-9.3	0	0	0	113.2	S719 R720 R727	S719-H723 VanDerWaalsContact O-CB 3.23Å; S719-H723 WeakPolarHBondContact O-CB 3.49Å; S719-H723 PolarHBondContact O-N 2.99Å; R720-H723 PolarHBondContact O-N 3.45Å; H723-R727 WeakPolarHBondContact O-CB 3.42Å; H723-R727 PolarHBondContact O-N 3.25Å
724	F	47.6	Very low	43.9	Very low	93 Å²	93	99.3 Å²	99.3	41%	0.408	52%	0.518	S	S	.	.	H	α-helix	trans	-77.6	-33.8	171.2	-76.2	-54.4	0	0	0	112.1	R720 I721 E722 R727 L728	R720-F724 HydrophobicContact CB-CD2 4.29Å; R720-F724 HydrophobicContact CB-CE2 4.26Å; R720-F724 VanDerWaalsContact O-CB 3.25Å; R720-F724 WeakPolarHBondContact O-CB 3.46Å; R720-F724 WeakPolarHBondContact O-CD2 3.28Å; R720-F724 VanDerWaalsContact O-CG 3.3Å; R720-F724 WeakPolarHBondContact O-CG 3.42Å; R720-F724 PolarHBondContact O-N 3.11Å; I721-F724 PolarHBondContact O-N 3.07Å; E722-F724 VanDerWaalsContact C-N 3.32Å; E722-F724 PolarHBondContact O-N 3.33Å; F724-R727 PolarHBondContact O-N 3.33Å; F724-L728 VanDerWaalsContact O-CB 3.25Å; F724-L728 WeakPolarHBondContact O-CB 3.39Å; F724-L728 WeakPolarHBondContact O-CD1 3.41Å; F724-L728 VanDerWaalsContact O-CG 3.25Å; F724-L728 WeakPolarHBondContact O-CG 3.15Å; F724-L728 PolarHBondContact O-N 2.73Å
725	A	47.5	Very low	43.8	Very low	54 Å²	54	98 Å²	98	45%	0.446	52%	0.515	S	S	.	.	H	α-helix	trans	-71.6	-39	174.1	0	0	0	0	0	111.4	I721 E722 L728 A729	I721-A725 WeakPolarHBondContact O-CB 3.48Å; I721-A725 PolarHBondContact O-N 2.94Å; E722-A725 CarbonylContact O-C 3.55Å; E722-A725 PolarHBondContact O-N 3.24Å; A725-L728 PolarHBondContact O-N 3.24Å; A725-A729 VanDerWaalsContact O-CB 3.26Å; A725-A729 WeakPolarHBondContact O-CB 3.24Å; A725-A729 PolarHBondContact O-N 2.97Å
726	S	50.6	Low	43.3	Very low	56 Å²	56	99.6 Å²	99.6	39%	0.392	52%	0.52	S	S	.	.	H	α-helix	trans	-64.2	-44.5	169.2	-63	0	0	0	0	110.9	E722 L728 A729 E730	E722-S726 WeakPolarHBondContact O-CB 3.23Å; E722-S726 PolarHBondContact O-N 2.56Å; E722-S726 PolarHBondContact O-OG 3.44Å; S726-L728 VanDerWaalsContact C-N 3.34Å; S726-L728 PolarHBondContact O-N 3.06Å; S726-A729 PolarHBondContact O-N 2.89Å; S726-E730 VanDerWaalsContact O-CB 3.25Å; S726-E730 WeakPolarHBondContact O-CB 2.92Å; S726-E730 WeakPolarHBondContact O-CG 3.3Å; S726-E730 PolarHBondContact O-N 3.23Å
727	R	45.7	Very low	42.7	Very low	127 Å²	127	98.8 Å²	98.8	48%	0.479	52%	0.523	S	S	.	.	H	α-helix	trans	-66.5	-32.6	173.7	-93.8	-166.8	-70.2	168.6	-7.9	113.7	H723 F724 M731	H723-R727 WeakPolarHBondContact O-CB 3.42Å; H723-R727 PolarHBondContact O-N 3.25Å; F724-R727 PolarHBondContact O-N 3.33Å; R727-M731 WeakPolarHBondContact O-CB 3.5Å; R727-M731 PolarHBondContact O-N 2.83Å
728	L	46.5	Very low	42	Very low	90 Å²	90	102.2 Å²	102.2	47%	0.471	53%	0.534	S	S	.	.	H	α-helix	trans	-69	-44.2	173	-81.4	163.1	0	0	0	110.5	F724 A725 S726 M731 E732	F724-L728 VanDerWaalsContact O-CB 3.25Å; F724-L728 WeakPolarHBondContact O-CB 3.39Å; F724-L728 WeakPolarHBondContact O-CD1 3.41Å; F724-L728 VanDerWaalsContact O-CG 3.25Å; F724-L728 WeakPolarHBondContact O-CG 3.15Å; F724-L728 PolarHBondContact O-N 2.73Å; A725-L728 PolarHBondContact O-N 3.24Å; S726-L728 VanDerWaalsContact C-N 3.34Å; S726-L728 PolarHBondContact O-N 3.06Å; L728-M731 HydrophobicContact CD2-CE 4.07Å; L728-M731 CarbonylContact O-C 3.59Å; L728-M731 PolarHBondContact O-N 2.94Å; L728-E732 WeakPolarHBondContact O-CB 3.45Å; L728-E732 WeakPolarHBondContact O-CG 3.26Å; L728-E732 PolarHBondContact O-N 3.39Å
729	A	48	Very low	41.3	Very low	54 Å²	54	104.9 Å²	104.9	45%	0.446	54%	0.544	S	S	.	.	H	α-helix	trans	-68.3	-35.2	176.2	0	0	0	0	0	112.9	A725 S726 S733	A725-A729 VanDerWaalsContact O-CB 3.26Å; A725-A729 WeakPolarHBondContact O-CB 3.24Å; A725-A729 PolarHBondContact O-N 2.97Å; S726-A729 PolarHBondContact O-N 2.89Å; A729-S733 WeakPolarHBondContact O-CB 3.21Å; A729-S733 PolarHBondContact O-N 2.8Å; A729-S733 PolarHBondContact O-OG 3Å
730	E	45.2	Very low	40.3	Very low	104 Å²	104	107.9 Å²	107.9	49%	0.486	56%	0.555	S	S	.	*	H	α-helix	trans	-66.6	-46.8	171.7	-74.8	166.4	170.7	0	0	110.3	S726 S733 Q734	S726-E730 VanDerWaalsContact O-CB 3.25Å; S726-E730 WeakPolarHBondContact O-CB 2.92Å; S726-E730 WeakPolarHBondContact O-CG 3.3Å; S726-E730 PolarHBondContact O-N 3.23Å; E730-S733 WeakPolarHBondContact CA-OG 3.2Å; E730-S733 PolarHBondContact O-N 3.41Å; E730-S733 PolarHBondContact O-OG 2.76Å; E730-Q734 WeakPolarHBondContact O-CB 3.39Å; E730-Q734 VanDerWaalsContact O-CG 3.3Å; E730-Q734 WeakPolarHBondContact O-CG 3.48Å; E730-Q734 PolarHBondContact O-N 2.89Å
731	M	40.8	Very low	39.6	Very low	97 Å²	97	106.8 Å²	106.8	48%	0.478	56%	0.561	S	S	.	*	H	α-helix	trans	-67.9	-35.5	177.1	-169.9	-177.7	80.4	0	0	112.6	R727 L728 Q734 N735	R727-M731 WeakPolarHBondContact O-CB 3.5Å; R727-M731 PolarHBondContact O-N 2.83Å; L728-M731 HydrophobicContact CD2-CE 4.07Å; L728-M731 CarbonylContact O-C 3.59Å; L728-M731 PolarHBondContact O-N 2.94Å; M731-Q734 PolarHBondContact O-N 2.87Å; M731-N735 VanDerWaalsContact O-CB 3.28Å; M731-N735 WeakPolarHBondContact O-CB 3.28Å; M731-N735 PolarHBondContact O-N 3.43Å
732	E	42	Very low	38.5	Very low	118 Å²	118	108.1 Å²	108.1	55%	0.551	58%	0.579	S	S	*	*	H	α-helix	trans	-67.7	-42.3	170.9	-76.8	172.1	172.7	0	0	110.1	L728 Q734 N735 C736	L728-E732 WeakPolarHBondContact O-CB 3.45Å; L728-E732 WeakPolarHBondContact O-CG 3.26Å; L728-E732 PolarHBondContact O-N 3.39Å; E732-Q734 VanDerWaalsContact C-N 3.27Å; E732-Q734 PolarHBondContact O-N 2.85Å; E732-N735 PolarHBondContact O-N 3.1Å; E732-C736 VanDerWaalsContact O-CB 3.28Å; E732-C736 WeakPolarHBondContact O-CB 3.3Å; E732-C736 PolarHBondContact O-N 2.67Å; E732-C736 PolarHBondContact O-SG 2.76Å
733	S	38.9	Very low	37.9	Very low	81 Å²	81	109.5 Å²	109.5	57%	0.566	59%	0.59	S	S	*	*	H	α-helix	trans	-64.8	-29.9	174.5	77.3	0	0	0	0	113.3	A729 E730	A729-S733 WeakPolarHBondContact O-CB 3.21Å; A729-S733 PolarHBondContact O-N 2.8Å; A729-S733 PolarHBondContact O-OG 3Å; E730-S733 WeakPolarHBondContact CA-OG 3.2Å; E730-S733 PolarHBondContact O-N 3.41Å; E730-S733 PolarHBondContact O-OG 2.76Å
734	Q	38.2	Very low	37.3	Very low	136 Å²	136	109.5 Å²	109.5	64%	0.636	60%	0.602	S	S	*	*	H	α-helix	trans	-78.3	-40	174.1	-72.4	173.3	-0.6	0	0	111.4	E730 M731 E732 S737	E730-Q734 WeakPolarHBondContact O-CB 3.39Å; E730-Q734 VanDerWaalsContact O-CG 3.3Å; E730-Q734 WeakPolarHBondContact O-CG 3.48Å; E730-Q734 PolarHBondContact O-N 2.89Å; M731-Q734 PolarHBondContact O-N 2.87Å; E732-Q734 VanDerWaalsContact C-N 3.27Å; E732-Q734 PolarHBondContact O-N 2.85Å; Q734-S737 PolarHBondContact O-N 3.48Å; Q734-S737 PolarHBondContact O-OG 3.33Å
735	N	34.8	Very low	37.2	Very low	106 Å²	106	110.7 Å²	110.7	57%	0.567	62%	0.619	S	S	*	*	H	α-helix	trans	-71	-28	174.4	-79	11	0	0	0	113.1	M731 E732 S737 F738	M731-N735 VanDerWaalsContact O-CB 3.28Å; M731-N735 WeakPolarHBondContact O-CB 3.28Å; M731-N735 PolarHBondContact O-N 3.43Å; E732-N735 PolarHBondContact O-N 3.1Å; N735-S737 PolarHBondContact O-N 2.95Å; N735-F738 CarbonylContact O-C 3.57Å; N735-F738 PolarHBondContact O-N 3.27Å
736	C	28.1	Very low	36.3	Very low	116 Å²	116	114.1 Å²	114.1	78%	0.784	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68	8.3	173.6	-77.1	0	0	0	0	114.3	E732	E732-C736 VanDerWaalsContact O-CB 3.28Å; E732-C736 WeakPolarHBondContact O-CB 3.3Å; E732-C736 PolarHBondContact O-N 2.67Å; E732-C736 PolarHBondContact O-SG 2.76Å
737	S	31.6	Very low	35.3	Very low	89 Å²	89	119.5 Å²	119.5	62%	0.622	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.9	-1.9	164.5	69.4	0	0	0	0	114.3	Q734 N735	Q734-S737 PolarHBondContact O-N 3.48Å; Q734-S737 PolarHBondContact O-OG 3.33Å; N735-S737 PolarHBondContact O-N 2.95Å
738	F	29.9	Very low	34.8	Very low	121 Å²	121	118.4 Å²	118.4	53%	0.531	67%	0.666	S	S	.	*	S	Bend	trans	-140.3	82.6	-179.2	-96.3	-81.8	0	0	0	112.8	N735	N735-F738 CarbonylContact O-C 3.57Å; N735-F738 PolarHBondContact O-N 3.27Å
739	F	27.9	Very low	34.2	Very low	189 Å²	189	120.9 Å²	120.9	83%	0.829	68%	0.678	S	S	*	*				171.3	141.1	101.2	-99.4	-74.8	0	0	0	110.8
740	N	25	Very low	33.6	Very low	133 Å²	133	124.6 Å²	124.6	71%	0.711	69%	0.691	S	S	*	*			trans	-115.2	131.3	161.4	-160.7	74.8	0	0	0	107.6
741	D	27.9	Very low	33.1	Very low	131 Å²	131	128.3 Å²	128.3	70%	0.701	71%	0.708	S	S	*	*			trans	44.5	116	173.5	-63.2	-44	0	0	0	120.7
742	S	28	Very low	32.7	Very low	129 Å²	129	131.3 Å²	131.3	90%	0.902	73%	0.726	S	S	*	*				-156.4	141	123.5	-79.9	0	0	0	0	110.4
743	L	30.3	Very low	32.4	Very low	165 Å²	165	133.1 Å²	133.1	86%	0.864	73%	0.734	S	S	*	*			trans	-99.4	128.1	-175	-79.1	168.1	0	0	0	112.4
744	S	28.3	Very low	32.1	Very low	110 Å²	110	139.8 Å²	139.8	77%	0.769	75%	0.749	S	S	*	*			trans	69.1	160.9	134.7	-146.4	0	0	0	0	119
745	P	47.1	Very low	31.9	Very low	118 Å²	118	138.5 Å²	138.5	77%	0.766	75%	0.746	S	S	*	*			cis	-118.9	-167.2	-17	26	-3.8	0	0	0	112.9
746	D	28.4	Very low	31.9	Very low	127 Å²	127	141.7 Å²	141.7	68%	0.679	76%	0.762	S	S	*	*			trans	90.8	92.5	162.4	-156.6	23	0	0	0	117.5
747	D	28.9	Very low	32	Very low	169 Å²	169	146.4 Å²	146.4	90%	0.904	76%	0.763	S	S	*	*			trans	-157.4	72.2	149.6	-136.9	-13.3	0	0	0	108.2
748	S	34.7	Very low	32.1	Very low	104 Å²	104	151.6 Å²	151.6	73%	0.727	78%	0.777	S	S	*	*			trans	-128.4	42.4	-175.2	74.7	0	0	0	0	114.4
749	I	34.5	Very low	31.9	Very low	141 Å²	141	151.4 Å²	151.4	72%	0.723	79%	0.791	S	S	*	*			trans	-139.1	81.6	171.7	-48.9	87.5	0	0	0	111.6
750	D	35.3	Very low	31.8	Very low	133 Å²	133	147.8 Å²	147.8	71%	0.711	79%	0.789	S	S	*	*	S	Bend	trans	-160.7	42.5	148.9	-144.5	10.7	0	0	0	116.6
751	E	34.9	Very low	32.3	Very low	181 Å²	181	147 Å²	147	85%	0.846	79%	0.791	S	S	*	*	S	Bend	trans	-131.9	29.9	174	-86.3	-67.4	-176.5	0	0	114.4
752	D	32.6	Very low	32.2	Very low	161 Å²	161	148 Å²	148	86%	0.861	80%	0.795	S	S	*	*	S	Bend	trans	-121.8	-7.8	173.8	-97.9	-49.3	0	0	0	114.6	Y754	D752-Y754 VanDerWaalsContact C-N 3.27Å; D752-Y754 PolarHBondContact O-N 3.12Å
753	Q	35.3	Very low	32.2	Very low	155 Å²	155	147.8 Å²	147.8	72%	0.724	79%	0.788	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.1	37.5	-172.4	-148.9	-177.5	121.7	0	0	115.4
754	Y	32.8	Very low	32	Very low	221 Å²	221	147 Å²	147	87%	0.867	79%	0.785	S	S	*	*	T	Hydrogen-bonded Turn	trans	-123.9	5.5	179.1	-101.3	-74.6	0	0	0	116.8	D752	D752-Y754 VanDerWaalsContact C-N 3.27Å; D752-Y754 PolarHBondContact O-N 3.12Å
755	L	34.1	Very low	31.9	Very low	109 Å²	109	153.4 Å²	153.4	57%	0.571	79%	0.793	S	S	*	*	S	Bend	trans	-122.1	1.9	-176	-84.7	-170.8	0	0	0	119.1	R529	R529-L755 VanDerWaalsContact CZ-CD1 3.46Å
756	L	34.8	Very low	30.7	Very low	174 Å²	174	156 Å²	156	91%	0.911	80%	0.795	S	S	*	*			trans	-129.3	88.1	171.8	-85.7	98.2	0	0	0	114
757	R	30.3	Very low	31.1	Very low	214 Å²	214	155 Å²	155	81%	0.808	80%	0.795	S	S	*	*			trans	-155.6	52	159.9	-155.9	178.9	-70.6	-179.7	0.8	115.1
758	H	32.2	Very low	30.9	Very low	198 Å²	198	150.8 Å²	150.8	92%	0.917	78%	0.784	S	S	*	*			trans	-140.9	53.8	171	-85	-48.2	0	0	0	115
759	S	26.3	Very low	30.4	Very low	118 Å²	118	156.1 Å²	156.1	83%	0.825	79%	0.794	S	S	*	*			trans	-158.4	134	156	45.8	0	0	0	0	111.8
760	S	26.8	Very low	30	Very low	112 Å²	112	153 Å²	153	78%	0.783	80%	0.797	S	S	*	*			trans	-135.9	139.1	168.3	-57.4	0	0	0	0	108.5
761	P	33.9	Very low	29.9	Very low	116 Å²	116	155.2 Å²	155.2	75%	0.753	80%	0.803	S	S	*	*				-108.8	146.7	117.2	-14.1	32.8	0	0	0	109.7
762	I	26.8	Very low	29.6	Very low	152 Å²	152	155.5 Å²	155.5	78%	0.779	80%	0.804	S	S	*	*				56.2	96.4	56	-54.6	171.6	0	0	0	108.8
763	T	28	Very low	30	Very low	125 Å²	125	152 Å²	152	77%	0.767	80%	0.798	S	S	*	*				-151.4	168.6	60.9	48.5	0	0	0	0	115.1
764	D	25.6	Very low	30.2	Very low	150 Å²	150	150.2 Å²	150.2	80%	0.802	80%	0.799	S	S	*	*			trans	-58.3	143.9	173.4	-40.2	-95.4	0	0	0	115.4
765	R	27.2	Very low	30.5	Very low	244 Å²	244	146.2 Å²	146.2	92%	0.921	80%	0.803	S	S	*	*				-175.3	136.8	103.7	-112.8	-178.7	162.4	130.7	-3.1	115.8
766	E	20.1	Very low	31	Very low	173 Å²	173	143.9 Å²	143.9	81%	0.808	80%	0.795	S	S	*	*			trans	-91.8	176.4	158.6	-113.8	-165.5	179	0	0	110.6
767	P	38.3	Very low	31.5	Very low	105 Å²	105	141.1 Å²	141.1	68%	0.682	79%	0.785	S	S	*	*			cis	-139.4	-179.2	-14.5	34.9	-14.9	0	0	0	116.1
768	A	23.1	Very low	32.1	Very low	81 Å²	81	135 Å²	135	67%	0.669	78%	0.78	S	S	*	*			trans	104.4	135.8	134.4	0	0	0	0	0	122.7
769	F	25.6	Very low	33	Very low	216 Å²	216	130.6 Å²	130.6	95%	0.947	77%	0.768	S	S	*	*			trans	64.1	122.9	164.1	-68.7	-75.5	0	0	0	120.7
770	G	26.1	Very low	34.1	Very low	76 Å²	76	131.4 Å²	131.4	78%	0.784	76%	0.758	S	S	*	*			trans	159.5	55.9	160.7	0	0	0	0	0	120.4
771	Q	32.4	Very low	35.2	Very low	178 Å²	178	129 Å²	129	83%	0.832	74%	0.741	S	S	*	*			trans	43.2	145.1	150	-83.3	-178.6	-18.6	0	0	124.2
772	Q	29.9	Very low	36.4	Very low	187 Å²	187	130 Å²	130	87%	0.874	73%	0.734	S	S	*	*			trans	77.8	149	156.7	-68.6	170.5	16.8	0	0	119.1
773	A	41.3	Very low	38.8	Very low	89 Å²	89	124 Å²	124	74%	0.736	71%	0.709	S	S	*	*			trans	-136.3	166.6	-179.3	0	0	0	0	0	109.1
774	P	39.2	Very low	40.6	Very low	116 Å²	116	123.8 Å²	123.8	75%	0.753	70%	0.7	S	S	*	*			trans	-121.2	112.4	160.2	33.7	-20.5	0	0	0	112.3
775	C	39	Very low	42.1	Very low	138 Å²	138	122.2 Å²	122.2	93%	0.932	69%	0.691	S	S	*	*			trans	-110.1	100	157.2	-75.3	0	0	0	0	107.9
776	S	44	Very low	44.2	Very low	60 Å²	60	116.8 Å²	116.8	42%	0.42	68%	0.676	S	S	.	*			trans	-149.8	-33.9	176.8	61.5	0	0	0	0	114.4	A778 T779	S776-A778 VanDerWaalsContact C-N 3.32Å; S776-A778 PolarHBondContact O-N 3.3Å; S776-T779 PolarHBondContact O-N 3.03Å; S776-T779 PolarHBondContact O-OG1 2.87Å
777	V	46.3	Very low	47	Very low	116 Å²	116	115.9 Å²	115.9	70%	0.703	67%	0.669	S	S	*	*	H	α-helix	trans	-60.9	-36.4	-171.5	-169.4	0	0	0	0	113.2	T779	V777-T779 VanDerWaalsContact C-N 3.26Å; V777-T779 PolarHBondContact O-N 2.99Å
778	A	43	Very low	48.6	Very low	84 Å²	84	115.5 Å²	115.5	69%	0.694	66%	0.661	S	S	*	*	H	α-helix	trans	-72.7	-12.2	-177.8	0	0	0	0	0	114.8	S776	S776-A778 VanDerWaalsContact C-N 3.32Å; S776-A778 PolarHBondContact O-N 3.3Å
779	T	49.3	Very low	50.5	Low	107 Å²	107	116.5 Å²	116.5	66%	0.656	65%	0.654	S	S	*	*	H	α-helix	trans	-90.9	-26.5	178.6	29.1	0	0	0	0	113.7	S776 V777 G783	S776-T779 PolarHBondContact O-N 3.03Å; S776-T779 PolarHBondContact O-OG1 2.87Å; V777-T779 VanDerWaalsContact C-N 3.26Å; V777-T779 PolarHBondContact O-N 2.99Å; T779-G783 PolarHBondContact O-N 2.77Å
780	E	50.1	Low	53.1	Low	135 Å²	135	108.8 Å²	108.8	63%	0.631	63%	0.63	S	S	*	*	H	α-helix	trans	-76.6	-47.1	-177.8	-66.5	178.9	128	0	0	111.2	K782 G783 E784	E780-K782 VanDerWaalsContact C-N 3.28Å; E780-K782 PolarHBondContact O-N 3.27Å; E780-G783 WeakPolarHBondContact O-CA 3.38Å; E780-G783 PolarHBondContact O-N 3.14Å; E780-E784 PolarHBondContact O-N 3.42Å
781	S	49.3	Very low	55.4	Low	60 Å²	60	110.5 Å²	110.5	42%	0.42	62%	0.618	S	S	.	*	H	α-helix	trans	-57.9	-37.2	177.3	57.4	0	0	0	0	113.3	G783 E784 L785	S781-G783 VanDerWaalsContact C-N 3.34Å; S781-G783 PolarHBondContact O-N 2.81Å; S781-E784 PolarHBondContact O-N 3.5Å; S781-L785 WeakPolarHBondContact O-CG 3.37Å; S781-L785 PolarHBondContact O-N 2.66Å
782	K	60.7	Low	56.8	Low	137 Å²	137	106.5 Å²	106.5	60%	0.596	60%	0.601	S	S	*	*	H	α-helix	trans	-64.6	-37.3	173.7	-174	172	-178.9	173.9	0	112.3	E780 Q786	E780-K782 VanDerWaalsContact C-N 3.28Å; E780-K782 PolarHBondContact O-N 3.27Å; K782-Q786 WeakPolarHBondContact O-CG 3.32Å; K782-Q786 PolarHBondContact O-N 2.8Å; K782-Q786 VanDerWaalsContact O-N 3.14Å
783	G	77.2	Confident	58.7	Low	26 Å²	26	103.2 Å²	103.2	27%	0.268	59%	0.586	S	S	.	*	H	α-helix	trans	-70.6	-32.3	176.1	0	0	0	0	0	113.2	T779 E780 S781 K787	T779-G783 PolarHBondContact O-N 2.77Å; E780-G783 WeakPolarHBondContact O-CA 3.38Å; E780-G783 PolarHBondContact O-N 3.14Å; S781-G783 VanDerWaalsContact C-N 3.34Å; S781-G783 PolarHBondContact O-N 2.81Å; G783-K787 WeakPolarHBondContact O-CG 3.46Å; G783-K787 PolarHBondContact O-N 3.24Å
784	E	64.8	Low	60.4	Low	122 Å²	122	102 Å²	102	57%	0.57	57%	0.567	S	S	*	*	H	α-helix	trans	-71.2	-45.6	173.6	-66.3	-174.2	144.3	0	0	111.8	E780 S781 Q786 K787 I788	E780-E784 PolarHBondContact O-N 3.42Å; S781-E784 PolarHBondContact O-N 3.5Å; E784-Q786 VanDerWaalsContact C-N 3.28Å; E784-Q786 PolarHBondContact O-N 3.47Å; E784-K787 WeakPolarHBondContact O-CB 3.5Å; E784-K787 PolarHBondContact O-N 3.4Å; E784-I788 WeakPolarHBondContact O-CG1 3.27Å; E784-I788 PolarHBondContact O-N 3.19Å
785	L	57.8	Low	61.6	Low	116 Å²	116	100.9 Å²	100.9	61%	0.607	55%	0.552	S	S	*	*	H	α-helix	trans	-57.2	-39.4	174.2	-74.5	166.9	0	0	0	112.4	S781 I788 L789	S781-L785 WeakPolarHBondContact O-CG 3.37Å; S781-L785 PolarHBondContact O-N 2.66Å; L785-I788 PolarHBondContact O-N 3.15Å; L785-L789 WeakPolarHBondContact O-CB 3.4Å; L785-L789 PolarHBondContact O-N 3.25Å
786	Q	69.8	Low	62.4	Low	130 Å²	130	98.4 Å²	98.4	61%	0.607	53%	0.529	S	S	*	.	H	α-helix	trans	-66.9	-34	175.3	-75.6	-175.4	-46.1	0	0	113.5	K782 E784 A790	K782-Q786 WeakPolarHBondContact O-CG 3.32Å; K782-Q786 PolarHBondContact O-N 2.8Å; K782-Q786 VanDerWaalsContact O-N 3.14Å; E784-Q786 VanDerWaalsContact C-N 3.28Å; E784-Q786 PolarHBondContact O-N 3.47Å; Q786-A790 WeakPolarHBondContact O-CB 3.21Å; Q786-A790 PolarHBondContact O-N 3.26Å; Q786-A790 VanDerWaalsContact O-N 3.14Å
787	K	79.1	Confident	64.3	Low	155 Å²	155	102.1 Å²	102.1	67%	0.674	53%	0.534	S	S	*	.	H	α-helix	trans	-69.3	-41.4	173.4	-70.2	168.9	-174.9	171.7	0	111.8	G783 E784 A790 H791	G783-K787 WeakPolarHBondContact O-CG 3.46Å; G783-K787 PolarHBondContact O-N 3.24Å; E784-K787 WeakPolarHBondContact O-CB 3.5Å; E784-K787 PolarHBondContact O-N 3.4Å; K787-A790 PolarHBondContact O-N 3.2Å; K787-H791 WeakPolarHBondContact O-CB 3.23Å; K787-H791 PolarHBondContact O-N 2.93Å
788	I	73.6	Confident	65.7	Low	97 Å²	97	100.7 Å²	100.7	50%	0.497	52%	0.522	S	S	.	.	H	α-helix	trans	-63.7	-45	177.9	-66.5	164.7	0	0	0	110.1	E784 L785 H791 L792	E784-I788 WeakPolarHBondContact O-CG1 3.27Å; E784-I788 PolarHBondContact O-N 3.19Å; L785-I788 PolarHBondContact O-N 3.15Å; I788-H791 PolarHBondContact O-N 2.87Å; I788-L792 HydrophobicContact CG2-CD1 3.92Å; I788-L792 WeakPolarHBondContact O-CG 3.5Å; I788-L792 PolarHBondContact O-N 3.27Å
789	L	63	Low	66.5	Low	101 Å²	101	101.7 Å²	101.7	53%	0.529	52%	0.515	S	S	.	.	H	α-helix	trans	-59.1	-50.6	176.4	-168.7	74.5	0	0	0	111.6	L785 H791 L792 E793	L785-L789 WeakPolarHBondContact O-CB 3.4Å; L785-L789 PolarHBondContact O-N 3.25Å; L789-H791 VanDerWaalsContact C-N 3.27Å; L789-H791 PolarHBondContact O-N 3.42Å; L789-L792 PolarHBondContact O-N 3.08Å; L789-E793 WeakPolarHBondContact O-CG 3.37Å; L789-E793 PolarHBondContact O-N 3.04Å
790	A	79.1	Confident	67	Low	54 Å²	54	101.4 Å²	101.4	45%	0.446	51%	0.506	S	S	.	.	H	α-helix	trans	-61.7	-33.3	179.1	0	0	0	0	0	113	Q786 K787 D794	Q786-A790 WeakPolarHBondContact O-CB 3.21Å; Q786-A790 PolarHBondContact O-N 3.26Å; Q786-A790 VanDerWaalsContact O-N 3.14Å; K787-A790 PolarHBondContact O-N 3.2Å; A790-D794 PolarHBondContact O-N 2.94Å; A790-D794 VanDerWaalsContact O-N 3.11Å
791	H	74.6	Confident	67.9	Low	113 Å²	113	96.1 Å²	96.1	52%	0.523	49%	0.487	S	S	.	.	H	α-helix	trans	-69	-43.4	174.9	-175.9	6.8	0	0	0	112.1	K787 I788 L789 E793 D794 E795	K787-H791 WeakPolarHBondContact O-CB 3.23Å; K787-H791 PolarHBondContact O-N 2.93Å; I788-H791 PolarHBondContact O-N 2.87Å; L789-H791 VanDerWaalsContact C-N 3.27Å; L789-H791 PolarHBondContact O-N 3.42Å; H791-E793 VanDerWaalsContact C-N 3.35Å; H791-D794 WeakPolarHBondContact O-CB 3.24Å; H791-D794 PolarHBondContact O-N 2.96Å; H791-D794 VanDerWaalsContact O-N 3.14Å; H791-E795 IonicContact CE1-OE1 3Å; H791-E795 PolarHBondContact O-N 3.37Å
792	L	60.8	Low	68.5	Low	94 Å²	94	97.7 Å²	97.7	49%	0.492	49%	0.488	S	S	.	.	H	α-helix	trans	-67.4	-34.3	177.1	-68.9	169.2	0	0	0	112.1	I788 L789 D794 N796	I788-L792 HydrophobicContact CG2-CD1 3.92Å; I788-L792 WeakPolarHBondContact O-CG 3.5Å; I788-L792 PolarHBondContact O-N 3.27Å; L789-L792 PolarHBondContact O-N 3.08Å; L792-D794 VanDerWaalsContact C-N 3.32Å; L792-N796 WeakPolarHBondContact O-CB 3.22Å; L792-N796 PolarHBondContact O-N 3.49Å
793	E	71.6	Confident	68.1	Low	118 Å²	118	95.8 Å²	95.8	55%	0.551	48%	0.484	S	S	*	.	H	α-helix	trans	-64.5	-35.8	170.2	-72.4	175.2	167.9	0	0	111.9	L789 H791 R797	L789-E793 WeakPolarHBondContact O-CG 3.37Å; L789-E793 PolarHBondContact O-N 3.04Å; H791-E793 VanDerWaalsContact C-N 3.35Å; E793-R797 WeakPolarHBondContact O-CB 3.29Å; E793-R797 PolarHBondContact O-N 3.15Å; E793-R797 VanDerWaalsContact O-N 3.11Å
794	D	75.9	Confident	67.9	Low	64 Å²	64	102.4 Å²	102.4	34%	0.342	50%	0.501	S	S	.	.	H	α-helix	trans	-68.1	-49	174.9	-144.4	82.7	0	0	0	112	A790 H791 L792 N796 R797 I798	A790-D794 PolarHBondContact O-N 2.94Å; A790-D794 VanDerWaalsContact O-N 3.11Å; H791-D794 WeakPolarHBondContact O-CB 3.24Å; H791-D794 PolarHBondContact O-N 2.96Å; H791-D794 VanDerWaalsContact O-N 3.14Å; L792-D794 VanDerWaalsContact C-N 3.32Å; D794-N796 PolarHBondContact O-N 3.26Å; D794-R797 WeakPolarHBondContact O-CB 3.27Å; D794-R797 PolarHBondContact O-N 3.15Å; D794-R797 IonicContact OD1-CZ 3.37Å; D794-R797 IonicContact OD1-NH1 3.23Å; D794-R797 PolarHBondContact OD1-NH1 3.47Å; D794-R797 IonicContact OD1-NH2 3.46Å; D794-R797 PolarHBondContact OD1-NH2 3.32Å; D794-R797 IonicContact OD2-CZ 4Å; D794-R797 IonicContact OD2-NH1 3.59Å; D794-R797 IonicContact OD2-NH2 2.83Å; D794-R797 PolarHBondContact OD2-NH2 3.45Å; D794-I798 WeakPolarHBondContact O-CG1 3.47Å; D794-I798 PolarHBondContact O-N 2.79Å
795	E	64.6	Low	68.3	Low	91 Å²	91	103.9 Å²	103.9	43%	0.425	50%	0.501	S	S	.	.	H	α-helix	trans	-60.8	-43.8	176.2	-71.3	-168.4	137.5	0	0	112	H791 R797 I798 L799	H791-E795 IonicContact CE1-OE1 3Å; H791-E795 PolarHBondContact O-N 3.37Å; E795-R797 VanDerWaalsContact C-N 3.31Å; E795-R797 PolarHBondContact O-N 3Å; E795-I798 WeakPolarHBondContact O-CB 3.39Å; E795-I798 PolarHBondContact O-N 2.75Å; E795-I798 VanDerWaalsContact O-N 3.11Å; E795-L799 WeakPolarHBondContact O-CB 3.39Å; E795-L799 VanDerWaalsContact O-CG 3.3Å; E795-L799 WeakPolarHBondContact O-CG 3.25Å; E795-L799 PolarHBondContact O-N 2.77Å
796	N	56.4	Low	68	Low	87 Å²	87	103.5 Å²	103.5	47%	0.465	50%	0.499	S	S	.	.	H	α-helix	trans	-61.8	-40.1	177.3	-165.8	-17.1	0	0	0	111.1	L792 D794 I798 L799 Q800	L792-N796 WeakPolarHBondContact O-CB 3.22Å; L792-N796 PolarHBondContact O-N 3.49Å; D794-N796 PolarHBondContact O-N 3.26Å; N796-I798 PolarHBondContact O-N 3.38Å; N796-L799 PolarHBondContact O-N 2.93Å; N796-Q800 WeakPolarHBondContact O-CB 3.38Å; N796-Q800 VanDerWaalsContact O-CG 3.24Å; N796-Q800 WeakPolarHBondContact O-CG 3.48Å; N796-Q800 PolarHBondContact O-N 3.35Å; N796-Q800 PolarHBondContact OD1-NE2 3.35Å
797	R	83.6	Confident	67.4	Low	138 Å²	138	102.6 Å²	102.6	52%	0.521	49%	0.493	S	S	.	.	H	α-helix	trans	-64.3	-36.9	173.5	-168.2	-172.3	69.2	-113.3	-5.9	112.6	E793 D794 E795 G801	E793-R797 WeakPolarHBondContact O-CB 3.29Å; E793-R797 PolarHBondContact O-N 3.15Å; E793-R797 VanDerWaalsContact O-N 3.11Å; D794-R797 WeakPolarHBondContact O-CB 3.27Å; D794-R797 PolarHBondContact O-N 3.15Å; D794-R797 IonicContact OD1-CZ 3.37Å; D794-R797 IonicContact OD1-NH1 3.23Å; D794-R797 PolarHBondContact OD1-NH1 3.47Å; D794-R797 IonicContact OD1-NH2 3.46Å; D794-R797 PolarHBondContact OD1-NH2 3.32Å; D794-R797 IonicContact OD2-CZ 4Å; D794-R797 IonicContact OD2-NH1 3.59Å; D794-R797 IonicContact OD2-NH2 2.83Å; D794-R797 PolarHBondContact OD2-NH2 3.45Å; E795-R797 VanDerWaalsContact C-N 3.31Å; E795-R797 PolarHBondContact O-N 3Å; R797-G801 PolarHBondContact O-N 2.95Å; R797-G801 VanDerWaalsContact O-N 3.16Å
798	I	74.9	Confident	66.7	Low	85 Å²	85	102.2 Å²	102.2	44%	0.436	49%	0.488	S	S	.	.	H	α-helix	trans	-67.5	-49.7	175.2	-68.7	164.3	0	0	0	110.5	D794 E795 N796 Q800 G801 E802	D794-I798 WeakPolarHBondContact O-CG1 3.47Å; D794-I798 PolarHBondContact O-N 2.79Å; E795-I798 WeakPolarHBondContact O-CB 3.39Å; E795-I798 PolarHBondContact O-N 2.75Å; E795-I798 VanDerWaalsContact O-N 3.11Å; N796-I798 PolarHBondContact O-N 3.38Å; I798-Q800 VanDerWaalsContact C-N 3.32Å; I798-Q800 PolarHBondContact O-N 2.83Å; I798-G801 CarbonylContact O-C 3.57Å; I798-G801 VanDerWaalsContact O-CA 3.23Å; I798-G801 WeakPolarHBondContact O-CA 3.44Å; I798-G801 PolarHBondContact O-N 2.87Å; I798-E802 PolarHBondContact O-N 2.78Å
799	L	59.2	Low	65.9	Low	105 Å²	105	102 Å²	102	55%	0.55	48%	0.484	S	S	.	.	H	α-helix	trans	-60.6	-38.4	178.3	-69.7	167.7	0	0	0	112.1	E795 N796 G801 E802 L803	E795-L799 WeakPolarHBondContact O-CB 3.39Å; E795-L799 VanDerWaalsContact O-CG 3.3Å; E795-L799 WeakPolarHBondContact O-CG 3.25Å; E795-L799 PolarHBondContact O-N 2.77Å; N796-L799 PolarHBondContact O-N 2.93Å; L799-G801 VanDerWaalsContact C-N 3.25Å; L799-G801 PolarHBondContact O-N 2.97Å; L799-E802 PolarHBondContact O-N 3.49Å; L799-L803 WeakPolarHBondContact O-CB 3.35Å; L799-L803 PolarHBondContact O-N 3.43Å
800	Q	61.5	Low	65.4	Low	102 Å²	102	102.8 Å²	102.8	48%	0.477	49%	0.485	S	S	.	.	H	α-helix	trans	-67.5	-23.8	170.5	-71.2	176.4	32.4	0	0	113.2	N796 I798 R804	N796-Q800 WeakPolarHBondContact O-CB 3.38Å; N796-Q800 VanDerWaalsContact O-CG 3.24Å; N796-Q800 WeakPolarHBondContact O-CG 3.48Å; N796-Q800 PolarHBondContact O-N 3.35Å; N796-Q800 PolarHBondContact OD1-NE2 3.35Å; I798-Q800 VanDerWaalsContact C-N 3.32Å; I798-Q800 PolarHBondContact O-N 2.83Å; Q800-R804 WeakPolarHBondContact O-CG 3.49Å; Q800-R804 PolarHBondContact O-NE 3.19Å
801	G	69.1	Low	64.2	Low	23 Å²	23	106.3 Å²	106.3	24%	0.237	49%	0.493	C	S	.	.	H	α-helix	trans	-72.7	-46.8	168.7	0	0	0	0	0	112.1	R797 I798 L799 R804 R805	R797-G801 PolarHBondContact O-N 2.95Å; R797-G801 VanDerWaalsContact O-N 3.16Å; I798-G801 CarbonylContact O-C 3.57Å; I798-G801 VanDerWaalsContact O-CA 3.23Å; I798-G801 WeakPolarHBondContact O-CA 3.44Å; I798-G801 PolarHBondContact O-N 2.87Å; L799-G801 VanDerWaalsContact C-N 3.25Å; L799-G801 PolarHBondContact O-N 2.97Å; G801-R804 PolarHBondContact O-N 3.38Å; G801-R805 PolarHBondContact O-N 3.47Å
802	E	60.8	Low	63.1	Low	93 Å²	93	106.2 Å²	106.2	44%	0.435	49%	0.492	S	S	.	.	H	α-helix	trans	-66.6	-40.9	178.2	-64.1	-165	140.8	0	0	112.6	I798 L799 R804 R805 L806	I798-E802 PolarHBondContact O-N 2.78Å; L799-E802 PolarHBondContact O-N 3.49Å; E802-R804 VanDerWaalsContact C-N 3.26Å; E802-R804 PolarHBondContact O-N 3.14Å; E802-R805 CarbonylContact O-C 2.94Å; E802-R805 WeakPolarHBondContact O-CA 3.38Å; E802-R805 WeakPolarHBondContact O-CB 3.5Å; E802-R805 PolarHBondContact O-N 2.97Å; E802-L806 WeakPolarHBondContact O-CB 3.43Å; E802-L806 WeakPolarHBondContact O-CG 3.23Å; E802-L806 PolarHBondContact O-N 2.89Å
803	L	52.6	Low	62.7	Low	97 Å²	97	105.3 Å²	105.3	51%	0.508	50%	0.498	S	S	.	.	H	α-helix	trans	-58.8	-37.7	174	-177.3	63.2	0	0	0	111.9	L799 K807	L799-L803 WeakPolarHBondContact O-CB 3.35Å; L799-L803 PolarHBondContact O-N 3.43Å; L803-K807 WeakPolarHBondContact O-CB 3.33Å; L803-K807 VanDerWaalsContact O-CG 3.28Å; L803-K807 WeakPolarHBondContact O-CG 3.4Å; L803-K807 PolarHBondContact O-N 2.95Å
804	R	73.3	Confident	61.8	Low	166 Å²	166	103.3 Å²	103.3	63%	0.626	50%	0.502	S	S	*	.	H	α-helix	trans	-70.5	-38.9	173.3	-77.5	179.2	-71.2	165.8	-3	112.2	Q800 G801 E802 K807 W808	Q800-R804 WeakPolarHBondContact O-CG 3.49Å; Q800-R804 PolarHBondContact O-NE 3.19Å; G801-R804 PolarHBondContact O-N 3.38Å; E802-R804 VanDerWaalsContact C-N 3.26Å; E802-R804 PolarHBondContact O-N 3.14Å; R804-K807 PolarHBondContact O-N 2.92Å; R804-W808 WeakPolarHBondContact O-CB 3.42Å; R804-W808 PolarHBondContact O-N 3.06Å
805	R	72.4	Confident	60.3	Low	152 Å²	152	108.1 Å²	108.1	57%	0.574	52%	0.523	S	S	*	.	H	α-helix	trans	-62.7	-44.7	175.5	-158.8	-162.7	-50.3	-86.7	4.9	111.7	G801 E802 W808 Q809	G801-R805 PolarHBondContact O-N 3.47Å; E802-R805 CarbonylContact O-C 2.94Å; E802-R805 WeakPolarHBondContact O-CA 3.38Å; E802-R805 WeakPolarHBondContact O-CB 3.5Å; E802-R805 PolarHBondContact O-N 2.97Å; R805-W808 PolarHBondContact O-N 3.21Å; R805-Q809 WeakPolarHBondContact O-CG 3.44Å; R805-Q809 PolarHBondContact O-N 3.49Å
806	L	53	Low	59	Low	108 Å²	108	107 Å²	107	57%	0.565	53%	0.529	S	S	*	.	H	α-helix	trans	-68.3	-38.8	177.6	-72.4	166.8	0	0	0	112.2	E802 Q809 H810	E802-L806 WeakPolarHBondContact O-CB 3.43Å; E802-L806 WeakPolarHBondContact O-CG 3.23Å; E802-L806 PolarHBondContact O-N 2.89Å; L806-Q809 PolarHBondContact O-N 2.84Å; L806-H810 WeakPolarHBondContact O-CB 3.18Å; L806-H810 PolarHBondContact O-N 3.46Å
807	K	57.1	Low	58.4	Low	111 Å²	111	108.3 Å²	108.3	48%	0.483	54%	0.542	S	S	.	.	H	α-helix	trans	-60	-48.8	170.5	-78.8	179.6	178	-171.3	0	110.8	L803 R804 Q809 H810 E811	L803-K807 WeakPolarHBondContact O-CB 3.33Å; L803-K807 VanDerWaalsContact O-CG 3.28Å; L803-K807 WeakPolarHBondContact O-CG 3.4Å; L803-K807 PolarHBondContact O-N 2.95Å; R804-K807 PolarHBondContact O-N 2.92Å; K807-Q809 PolarHBondContact O-N 3.14Å; K807-H810 PolarHBondContact O-N 3.35Å; K807-E811 WeakPolarHBondContact O-CB 3.25Å; K807-E811 PolarHBondContact O-N 2.88Å
808	W	64.6	Low	56.5	Low	147 Å²	147	108.8 Å²	108.8	56%	0.557	56%	0.561	S	S	*	*	H	α-helix	trans	-60.6	-43.4	177.6	-177.3	76	0	0	0	112.8	R804 R805 H810 E811 E812	R804-W808 WeakPolarHBondContact O-CB 3.42Å; R804-W808 PolarHBondContact O-N 3.06Å; R805-W808 PolarHBondContact O-N 3.21Å; W808-H810 VanDerWaalsContact C-N 3.34Å; W808-H810 PolarHBondContact O-N 3.38Å; W808-E811 WeakPolarHBondContact O-CB 3.43Å; W808-E811 PolarHBondContact O-N 3.12Å; W808-E811 VanDerWaalsContact O-N 3.13Å; W808-E812 WeakPolarHBondContact CH2-OE1 3.25Å; W808-E812 WeakPolarHBondContact CH2-OE2 3.31Å; W808-E812 WeakPolarHBondContact CZ3-OE2 3.25Å; W808-E812 WeakPolarHBondContact O-CB 3.49Å; W808-E812 PolarHBondContact O-N 2.95Å
809	Q	55	Low	54.8	Low	92 Å²	92	112.9 Å²	112.9	43%	0.43	58%	0.583	S	S	.	*	H	α-helix	trans	-64.7	-33.9	174.9	-73.7	176	-45.3	0	0	113.2	R805 L806 K807 E811 A813	R805-Q809 WeakPolarHBondContact O-CG 3.44Å; R805-Q809 PolarHBondContact O-N 3.49Å; L806-Q809 PolarHBondContact O-N 2.84Å; K807-Q809 PolarHBondContact O-N 3.14Å; Q809-E811 VanDerWaalsContact C-N 3.32Å; Q809-A813 WeakPolarHBondContact O-CB 3.23Å; Q809-A813 PolarHBondContact O-N 3.41Å
810	H	53.7	Low	53.7	Low	119 Å²	119	112.7 Å²	112.7	55%	0.551	60%	0.596	S	S	*	*	H	α-helix	trans	-71.3	-29	173.3	-177.6	-54.8	0	0	0	111.7	L806 K807 W808 A814 K846	L806-H810 WeakPolarHBondContact O-CB 3.18Å; L806-H810 PolarHBondContact O-N 3.46Å; K807-H810 PolarHBondContact O-N 3.35Å; W808-H810 VanDerWaalsContact C-N 3.34Å; W808-H810 PolarHBondContact O-N 3.38Å; H810-A814 WeakPolarHBondContact O-CB 3.36Å; H810-A814 PolarHBondContact O-N 3.35Å; H810-K846 PolarHBondContact NE2-NZ 2.92Å
811	E	53.4	Low	52.7	Low	128 Å²	128	116.2 Å²	116.2	60%	0.598	62%	0.618	S	S	*	*	H	α-helix	trans	-76.6	-46.2	177.3	-149.7	148.2	-138.5	0	0	110.4	K807 W808 Q809 A813 A814 E815	K807-E811 WeakPolarHBondContact O-CB 3.25Å; K807-E811 PolarHBondContact O-N 2.88Å; W808-E811 WeakPolarHBondContact O-CB 3.43Å; W808-E811 PolarHBondContact O-N 3.12Å; W808-E811 VanDerWaalsContact O-N 3.13Å; Q809-E811 VanDerWaalsContact C-N 3.32Å; E811-A813 VanDerWaalsContact C-N 3.33Å; E811-A813 PolarHBondContact O-N 2.73Å; E811-A814 WeakPolarHBondContact O-CA 3.07Å; E811-A814 WeakPolarHBondContact O-CB 3.17Å; E811-A814 PolarHBondContact O-N 2.78Å; E811-E815 PolarHBondContact O-N 3.43Å; E811-E815 VanDerWaalsContact O-N 3.13Å
812	E	52.7	Low	50.9	Low	110 Å²	110	118 Å²	118	51%	0.514	64%	0.636	S	S	.	*	H	α-helix	trans	-56.8	-43.1	170.1	-174.5	178.8	-140.7	0	0	112	W808 A814 E815	W808-E812 WeakPolarHBondContact CH2-OE1 3.25Å; W808-E812 WeakPolarHBondContact CH2-OE2 3.31Å; W808-E812 WeakPolarHBondContact CZ3-OE2 3.25Å; W808-E812 WeakPolarHBondContact O-CB 3.49Å; W808-E812 PolarHBondContact O-N 2.95Å; E812-A814 VanDerWaalsContact C-N 3.26Å; E812-A814 PolarHBondContact O-N 3.24Å; E812-E815 PolarHBondContact O-N 2.92Å
813	A	50.9	Low	49.5	Very low	75 Å²	75	118.5 Å²	118.5	62%	0.62	65%	0.651	S	S	*	*	H	α-helix	trans	-71.1	-15.3	175.1	0	0	0	0	0	114.3	Q809 E811	Q809-A813 WeakPolarHBondContact O-CB 3.23Å; Q809-A813 PolarHBondContact O-N 3.41Å; E811-A813 VanDerWaalsContact C-N 3.33Å; E811-A813 PolarHBondContact O-N 2.73Å
814	A	52.5	Low	48.7	Very low	77 Å²	77	120.1 Å²	120.1	64%	0.636	67%	0.665	S	S	*	*	H	α-helix	trans	-89.9	-23.6	175.5	0	0	0	0	0	112.9	H810 E811 E812	H810-A814 WeakPolarHBondContact O-CB 3.36Å; H810-A814 PolarHBondContact O-N 3.35Å; E811-A814 WeakPolarHBondContact O-CA 3.07Å; E811-A814 WeakPolarHBondContact O-CB 3.17Å; E811-A814 PolarHBondContact O-N 2.78Å; E812-A814 VanDerWaalsContact C-N 3.26Å; E812-A814 PolarHBondContact O-N 3.24Å
815	E	45.7	Very low	46.7	Very low	164 Å²	164	120.8 Å²	120.8	77%	0.766	68%	0.675	S	S	*	*	H	α-helix	trans	-84.8	-10.5	175.6	-66.1	-162.1	141.6	0	0	113.8	E811 E812 P817	E811-E815 PolarHBondContact O-N 3.43Å; E811-E815 VanDerWaalsContact O-N 3.13Å; E812-E815 PolarHBondContact O-N 2.92Å; E815-P817 WeakPolarHBondContact O-CD 3.43Å
816	A	37.2	Very low	44.9	Very low	67 Å²	67	118.1 Å²	118.1	55%	0.554	69%	0.685	S	S	*	*			trans	-65.4	113.6	179.3	0	0	0	0	0	113
817	P	43.8	Very low	43.9	Very low	116 Å²	116	117.1 Å²	117.1	75%	0.753	69%	0.693	S	S	*	*			trans	-74	134.6	-175.6	-18.3	33.5	0	0	0	113.3	E815 L819	E815-P817 WeakPolarHBondContact O-CD 3.43Å; P817-L819 PolarHBondContact O-N 3.14Å
818	T	43.3	Very low	43.4	Very low	147 Å²	147	118.3 Å²	118.3	90%	0.902	71%	0.712	S	S	*	*			trans	-72.1	97.6	178	37.6	0	0	0	0	112.9
819	L	40	Very low	42.4	Very low	172 Å²	172	115.1 Å²	115.1	90%	0.901	71%	0.706	S	S	*	*			trans	-107.7	77.5	169.1	-72	178.6	0	0	0	111.7	P817	P817-L819 PolarHBondContact O-N 3.14Å
820	A	34.6	Very low	42	Very low	101 Å²	101	117.5 Å²	117.5	84%	0.835	72%	0.717	S	S	*	*			trans	-156.8	67.3	170.2	0	0	0	0	0	111.7
821	D	40.3	Very low	41.3	Very low	175 Å²	175	120.2 Å²	120.2	94%	0.936	72%	0.722	S	S	*	*			trans	-98.9	126.6	158.4	-174.4	11.5	0	0	0	107.9
822	G	32.4	Very low	40.6	Very low	60 Å²	60	118.3 Å²	118.3	62%	0.619	72%	0.716	S	S	*	*			trans	172.4	77.2	-164.9	0	0	0	0	0	116.8
823	S	31.7	Very low	40.3	Very low	105 Å²	105	118.6 Å²	118.6	73%	0.734	72%	0.717	S	S	*	*			trans	63.1	111.4	149.8	56	0	0	0	0	121.4
824	T	34.5	Very low	40.3	Very low	131 Å²	131	121.1 Å²	121.1	80%	0.804	72%	0.716	S	S	*	*			trans	46.7	135.3	130.5	23.1	0	0	0	0	121.2
825	E	31.8	Very low	40	Very low	179 Å²	179	121.7 Å²	121.7	84%	0.836	71%	0.708	S	S	*	*			cis	-149.4	159.3	28.2	-69.3	-165.4	128.7	0	0	115.7
826	A	35.2	Very low	40.4	Very low	97 Å²	97	118.1 Å²	118.1	80%	0.802	69%	0.693	S	S	*	*			trans	44	98.7	142.5	0	0	0	0	0	123.6
827	A	31.5	Very low	41.5	Very low	87 Å²	87	116.7 Å²	116.7	72%	0.719	68%	0.682	S	S	*	*				-170.3	148.4	128.9	0	0	0	0	0	111.8	D829	A827-D829 PolarHBondContact O-N 2.88Å; A827-D829 VanDerWaalsContact O-N 3.14Å
828	P	47.2	Very low	42.2	Very low	136 Å²	136	116.4 Å²	116.4	88%	0.883	67%	0.67	S	S	*	*			trans	-83.9	79	173.7	34.2	-33.4	0	0	0	111.1	H830	P828-H830 PolarHBondContact O-N 3.01Å; P828-H830 VanDerWaalsContact O-N 3.07Å
829	D	42.3	Very low	42.6	Very low	80 Å²	80	110.9 Å²	110.9	43%	0.428	64%	0.64	S	S	.	*			trans	-82.9	83.9	-172.7	-171.8	16.1	0	0	0	113.3	A827 R831 N832 E833	A827-D829 PolarHBondContact O-N 2.88Å; A827-D829 VanDerWaalsContact O-N 3.14Å; D829-R831 PolarHBondContact O-N 3.1Å; D829-R831 VanDerWaalsContact O-N 3.17Å; D829-R831 VanDerWaalsContact OD1-CB 3.28Å; D829-R831 WeakPolarHBondContact OD1-CB 3.4Å; D829-R831 PolarHBondContact OD1-N 3.36Å; D829-N832 HydrophobicContact CB-CB 4.15Å; D829-N832 WeakPolarHBondContact O-CB 3.31Å; D829-N832 PolarHBondContact O-N 2.54Å; D829-N832 WeakPolarHBondContact OD2-CB 3.45Å; D829-N832 PolarHBondContact OD2-ND2 3.34Å; D829-E833 PolarHBondContact O-N 3.5Å
830	H	47.3	Very low	43.6	Very low	142 Å²	142	109.7 Å²	109.7	66%	0.657	62%	0.623	S	S	*	*	H	α-helix	trans	-58	-28	179.1	-136.4	27.8	0	0	0	112.7	P828 N832 E833 E834	P828-H830 PolarHBondContact O-N 3.01Å; P828-H830 VanDerWaalsContact O-N 3.07Å; H830-N832 VanDerWaalsContact C-N 3.33Å; H830-N832 PolarHBondContact O-N 3.37Å; H830-E833 IonicContact ND1-OE2 3.39Å; H830-E833 PolarHBondContact O-N 2.99Å; H830-E834 PolarHBondContact O-N 3.02Å
831	R	38.7	Very low	44.9	Very low	176 Å²	176	109.4 Å²	109.4	66%	0.664	61%	0.607	S	S	*	*	H	α-helix	trans	-63.7	-37.9	175	-169.5	71.6	164.9	-148.3	-4.9	111.6	D829 L835	D829-R831 PolarHBondContact O-N 3.1Å; D829-R831 VanDerWaalsContact O-N 3.17Å; D829-R831 VanDerWaalsContact OD1-CB 3.28Å; D829-R831 WeakPolarHBondContact OD1-CB 3.4Å; D829-R831 PolarHBondContact OD1-N 3.36Å; R831-L835 HydrophobicContact CG-CD1 4.29Å; R831-L835 WeakPolarHBondContact O-CB 3.27Å; R831-L835 VanDerWaalsContact O-CG 3.25Å; R831-L835 WeakPolarHBondContact O-CG 3.46Å; R831-L835 PolarHBondContact O-N 3.36Å
832	N	39.9	Very low	45.7	Very low	87 Å²	87	106 Å²	106	47%	0.465	59%	0.588	S	S	.	*	H	α-helix	trans	-67.6	-37.2	175.3	-117.9	-62.3	0	0	0	111.6	D829 H830 L835 L836	D829-N832 HydrophobicContact CB-CB 4.15Å; D829-N832 WeakPolarHBondContact O-CB 3.31Å; D829-N832 PolarHBondContact O-N 2.54Å; D829-N832 WeakPolarHBondContact OD2-CB 3.45Å; D829-N832 PolarHBondContact OD2-ND2 3.34Å; H830-N832 VanDerWaalsContact C-N 3.33Å; H830-N832 PolarHBondContact O-N 3.37Å; N832-L835 PolarHBondContact O-N 3.26Å; N832-L836 VanDerWaalsContact O-CB 3.31Å; N832-L836 WeakPolarHBondContact O-CB 3.32Å; N832-L836 WeakPolarHBondContact O-CG 3.39Å; N832-L836 PolarHBondContact O-N 3.2Å
833	E	45.5	Very low	46.9	Very low	116 Å²	116	111.9 Å²	111.9	54%	0.542	59%	0.591	S	S	.	*	H	α-helix	trans	-69.8	-38	177.7	-167.1	165.1	-148.6	0	0	112.2	D829 H830 L836 A837	D829-E833 PolarHBondContact O-N 3.5Å; H830-E833 IonicContact ND1-OE2 3.39Å; H830-E833 PolarHBondContact O-N 2.99Å; E833-L836 PolarHBondContact O-N 2.95Å; E833-A837 WeakPolarHBondContact O-CB 3.41Å; E833-A837 PolarHBondContact O-N 3.45Å
834	E	50.6	Low	48.4	Very low	129 Å²	129	113.4 Å²	113.4	60%	0.603	59%	0.587	S	S	*	*	H	α-helix	trans	-61.6	-49.4	168.5	-73.3	-173.3	131.7	0	0	112	H830 L836 A837 E838	H830-E834 PolarHBondContact O-N 3.02Å; E834-L836 VanDerWaalsContact C-N 3.28Å; E834-L836 PolarHBondContact O-N 3.03Å; E834-A837 CarbonylContact O-C 3.56Å; E834-A837 WeakPolarHBondContact O-CA 3.48Å; E834-A837 WeakPolarHBondContact O-CB 3.5Å; E834-A837 PolarHBondContact O-N 3.18Å; E834-E838 PolarHBondContact O-N 3.03Å
835	L	47.7	Very low	49.7	Very low	89 Å²	89	112.3 Å²	112.3	47%	0.466	57%	0.573	S	S	.	*	H	α-helix	trans	-61.6	-35.1	177.8	-73.9	167.5	0	0	0	112.3	R831 N832 A839	R831-L835 HydrophobicContact CG-CD1 4.29Å; R831-L835 WeakPolarHBondContact O-CB 3.27Å; R831-L835 VanDerWaalsContact O-CG 3.25Å; R831-L835 WeakPolarHBondContact O-CG 3.46Å; R831-L835 PolarHBondContact O-N 3.36Å; N832-L835 PolarHBondContact O-N 3.26Å; L835-A839 WeakPolarHBondContact O-CB 3.22Å; L835-A839 PolarHBondContact O-N 2.75Å
836	L	52.9	Low	51.5	Low	88 Å²	88	108.4 Å²	108.4	46%	0.461	55%	0.553	S	S	.	*	H	α-helix	trans	-71.2	-32.3	172.9	-74.7	168.5	0	0	0	112.4	N832 E833 E834 R840	N832-L836 VanDerWaalsContact O-CB 3.31Å; N832-L836 WeakPolarHBondContact O-CB 3.32Å; N832-L836 WeakPolarHBondContact O-CG 3.39Å; N832-L836 PolarHBondContact O-N 3.2Å; E833-L836 PolarHBondContact O-N 2.95Å; E834-L836 VanDerWaalsContact C-N 3.28Å; E834-L836 PolarHBondContact O-N 3.03Å; L836-R840 WeakPolarHBondContact O-CD 3.49Å; L836-R840 WeakPolarHBondContact O-CG 3.47Å; L836-R840 PolarHBondContact O-N 2.83Å; L836-R840 VanDerWaalsContact O-N 3.12Å; L836-R840 PolarHBondContact O-NE 3.5Å
837	A	60.2	Low	52.8	Low	38 Å²	38	106.9 Å²	106.9	31%	0.314	54%	0.536	S	S	.	.	H	α-helix	trans	-70.7	-44.6	172.7	0	0	0	0	0	111.6	E833 E834 R840 I841	E833-A837 WeakPolarHBondContact O-CB 3.41Å; E833-A837 PolarHBondContact O-N 3.45Å; E834-A837 CarbonylContact O-C 3.56Å; E834-A837 WeakPolarHBondContact O-CA 3.48Å; E834-A837 WeakPolarHBondContact O-CB 3.5Å; E834-A837 PolarHBondContact O-N 3.18Å; A837-R840 WeakPolarHBondContact O-CB 3.45Å; A837-R840 PolarHBondContact O-N 3.37Å; A837-R840 VanDerWaalsContact O-N 3.15Å; A837-I841 WeakPolarHBondContact O-CG1 3.37Å; A837-I841 PolarHBondContact O-N 2.95Å
838	E	59.6	Low	54.7	Low	109 Å²	109	110.9 Å²	110.9	51%	0.509	53%	0.533	S	S	.	.	H	α-helix	trans	-59.7	-46.1	173.2	-174.5	173.7	-158.9	0	0	110.9	E834 R840 I841 L842	E834-E838 PolarHBondContact O-N 3.03Å; E838-R840 VanDerWaalsContact C-N 3.28Å; E838-R840 PolarHBondContact O-N 3.18Å; E838-I841 PolarHBondContact O-N 2.84Å; E838-I841 VanDerWaalsContact O-N 3.1Å; E838-L842 HydrophobicContact CG-CD1 3.98Å; E838-L842 HydrophobicContact CG-CG 4.34Å; E838-L842 WeakPolarHBondContact O-CB 3.44Å; E838-L842 WeakPolarHBondContact O-CG 3.4Å; E838-L842 PolarHBondContact O-N 2.8Å
839	A	51.4	Low	55.5	Low	31 Å²	31	109.8 Å²	109.8	26%	0.256	52%	0.519	S	S	.	.	H	α-helix	trans	-60.4	-33.1	174.8	0	0	0	0	0	113.2	L835 R843	L835-A839 WeakPolarHBondContact O-CB 3.22Å; L835-A839 PolarHBondContact O-N 2.75Å; A839-R843 WeakPolarHBondContact O-CB 3.32Å; A839-R843 WeakPolarHBondContact O-CD 3.38Å; A839-R843 WeakPolarHBondContact O-CG 3.42Å; A839-R843 PolarHBondContact O-N 3.42Å
840	R	61.3	Low	57	Low	148 Å²	148	110.1 Å²	110.1	56%	0.558	52%	0.518	S	S	*	.	H	α-helix	trans	-68.3	-44.7	172.1	-69.2	162.1	-153.3	163.2	6.5	111.3	L836 A837 E838 R843 Q844	L836-R840 WeakPolarHBondContact O-CD 3.49Å; L836-R840 WeakPolarHBondContact O-CG 3.47Å; L836-R840 PolarHBondContact O-N 2.83Å; L836-R840 VanDerWaalsContact O-N 3.12Å; L836-R840 PolarHBondContact O-NE 3.5Å; A837-R840 WeakPolarHBondContact O-CB 3.45Å; A837-R840 PolarHBondContact O-N 3.37Å; A837-R840 VanDerWaalsContact O-N 3.15Å; E838-R840 VanDerWaalsContact C-N 3.28Å; E838-R840 PolarHBondContact O-N 3.18Å; R840-R843 PolarHBondContact O-N 3.32Å; R840-Q844 WeakPolarHBondContact O-CB 3.42Å; R840-Q844 PolarHBondContact O-N 2.77Å
841	I	61.2	Low	58	Low	94 Å²	94	107.1 Å²	107.1	48%	0.482	51%	0.51	S	S	.	.	H	α-helix	trans	-63	-44.2	177.9	-66.6	165.2	0	0	0	110.6	A837 E838 Q844 H845	A837-I841 WeakPolarHBondContact O-CG1 3.37Å; A837-I841 PolarHBondContact O-N 2.95Å; E838-I841 PolarHBondContact O-N 2.84Å; E838-I841 VanDerWaalsContact O-N 3.1Å; I841-Q844 PolarHBondContact O-N 2.98Å; I841-H845 PolarHBondContact O-N 2.68Å
842	L	55.9	Low	59.5	Low	104 Å²	104	106.3 Å²	106.3	55%	0.545	51%	0.507	S	S	.	.	H	α-helix	trans	-63.5	-40.2	176	-70.4	172.7	0	0	0	112.1	E838 H845 K846	E838-L842 HydrophobicContact CG-CD1 3.98Å; E838-L842 HydrophobicContact CG-CG 4.34Å; E838-L842 WeakPolarHBondContact O-CB 3.44Å; E838-L842 WeakPolarHBondContact O-CG 3.4Å; E838-L842 PolarHBondContact O-N 2.8Å; L842-H845 PolarHBondContact O-N 3.4Å; L842-K846 WeakPolarHBondContact O-CB 3.32Å; L842-K846 PolarHBondContact O-N 3.41Å
843	R	59.1	Low	60.8	Low	183 Å²	183	106.6 Å²	106.6	69%	0.691	51%	0.506	S	S	*	.	H	α-helix	trans	-63	-39.5	171.7	-73.3	167	-168.3	-164	3.4	112.1	A839 R840 K846 S847	A839-R843 WeakPolarHBondContact O-CB 3.32Å; A839-R843 WeakPolarHBondContact O-CD 3.38Å; A839-R843 WeakPolarHBondContact O-CG 3.42Å; A839-R843 PolarHBondContact O-N 3.42Å; R840-R843 PolarHBondContact O-N 3.32Å; R843-K846 PolarHBondContact O-N 3.42Å; R843-S847 WeakPolarHBondContact O-CB 2.98Å; R843-S847 PolarHBondContact O-N 3.5Å
844	Q	63.4	Low	62.1	Low	138 Å²	138	105.2 Å²	105.2	65%	0.645	50%	0.5	S	S	*	.	H	α-helix	trans	-68.8	-37.9	176.8	-165.7	176.3	17.6	0	0	112	R840 I841 R848	R840-Q844 WeakPolarHBondContact O-CB 3.42Å; R840-Q844 PolarHBondContact O-N 2.77Å; I841-Q844 PolarHBondContact O-N 2.98Å; Q844-R848 WeakPolarHBondContact O-CB 3.34Å; Q844-R848 PolarHBondContact O-N 3.02Å; Q844-R848 VanDerWaalsContact O-N 3.09Å
845	H	60.3	Low	63.6	Low	108 Å²	108	103.2 Å²	103.2	50%	0.5	49%	0.493	S	S	.	.	H	α-helix	trans	-66.5	-43.1	171.8	-88	-140	0	0	0	112	I841 L842 R848 L849	I841-H845 PolarHBondContact O-N 2.68Å; L842-H845 PolarHBondContact O-N 3.4Å; H845-R848 PolarHBondContact O-N 3.35Å; H845-L849 WeakPolarHBondContact O-CB 3.23Å; H845-L849 PolarHBondContact O-N 2.95Å
846	K	69.9	Low	64.7	Low	96 Å²	96	104.7 Å²	104.7	42%	0.417	50%	0.5	S	S	.	.	H	α-helix	trans	-56	-54.7	173.1	175.4	176.4	168.8	178.3	0	110.7	H810 L842 R843 R848 L849 E850	H810-K846 PolarHBondContact NE2-NZ 2.92Å; L842-K846 WeakPolarHBondContact O-CB 3.32Å; L842-K846 PolarHBondContact O-N 3.41Å; R843-K846 PolarHBondContact O-N 3.42Å; K846-R848 VanDerWaalsContact C-N 3.27Å; K846-R848 PolarHBondContact O-N 2.97Å; K846-L849 CarbonylContact O-C 3.58Å; K846-L849 WeakPolarHBondContact O-CA 3.3Å; K846-L849 WeakPolarHBondContact O-CB 3.25Å; K846-L849 PolarHBondContact O-N 3.19Å; K846-E850 WeakPolarHBondContact CE-OE1 3.3Å; K846-E850 HydrophobicContact CG-CG 4.28Å; K846-E850 IonicContact NZ-OE1 2.82Å; K846-E850 WeakPolarHBondContact O-CG 3.46Å; K846-E850 PolarHBondContact O-N 3.43Å
847	S	63.3	Low	65.9	Low	65 Å²	65	103.8 Å²	103.8	46%	0.455	49%	0.494	S	S	.	.	H	α-helix	trans	-56.3	-38.5	177.5	174.2	0	0	0	0	113.2	R843 E850 T851	R843-S847 WeakPolarHBondContact O-CB 2.98Å; R843-S847 PolarHBondContact O-N 3.5Å; S847-E850 WeakPolarHBondContact CA-OE2 3.37Å; S847-T851 WeakPolarHBondContact O-CB 3.07Å; S847-T851 PolarHBondContact O-N 3.49Å; S847-T851 PolarHBondContact O-OG1 3.27Å
848	R	71.8	Confident	66.8	Low	171 Å²	171	105.4 Å²	105.4	65%	0.645	50%	0.497	S	S	*	.	H	α-helix	trans	-73.2	-30	177.9	-163.2	177.7	-173.3	-162.8	2.2	113.2	Q844 H845 K846 R852	Q844-R848 WeakPolarHBondContact O-CB 3.34Å; Q844-R848 PolarHBondContact O-N 3.02Å; Q844-R848 VanDerWaalsContact O-N 3.09Å; H845-R848 PolarHBondContact O-N 3.35Å; K846-R848 VanDerWaalsContact C-N 3.27Å; K846-R848 PolarHBondContact O-N 2.97Å; R848-R852 PolarHBondContact O-N 3.44Å
849	L	64.4	Low	67.5	Low	113 Å²	113	105.5 Å²	105.5	59%	0.592	50%	0.497	S	S	*	.	H	α-helix	trans	-73.2	-44.3	170.7	-87.7	157.7	0	0	0	111.4	H845 K846 T851 R852 M853	H845-L849 WeakPolarHBondContact O-CB 3.23Å; H845-L849 PolarHBondContact O-N 2.95Å; K846-L849 CarbonylContact O-C 3.58Å; K846-L849 WeakPolarHBondContact O-CA 3.3Å; K846-L849 WeakPolarHBondContact O-CB 3.25Å; K846-L849 PolarHBondContact O-N 3.19Å; L849-T851 VanDerWaalsContact C-N 3.32Å; L849-T851 PolarHBondContact O-N 3.07Å; L849-R852 CarbonylContact O-C 3.59Å; L849-R852 WeakPolarHBondContact O-CB 3.36Å; L849-R852 PolarHBondContact O-N 2.94Å; L849-R852 VanDerWaalsContact O-N 3.1Å; L849-M853 WeakPolarHBondContact O-CB 3.31Å; L849-M853 PolarHBondContact O-N 3.22Å
850	E	73.6	Confident	68.7	Low	88 Å²	88	108.1 Å²	108.1	41%	0.411	51%	0.507	S	S	.	.	H	α-helix	trans	-60.1	-42	174.5	-70.8	168.1	145.9	0	0	111.2	K846 S847 R852 M853 Q854	K846-E850 WeakPolarHBondContact CE-OE1 3.3Å; K846-E850 HydrophobicContact CG-CG 4.28Å; K846-E850 IonicContact NZ-OE1 2.82Å; K846-E850 WeakPolarHBondContact O-CG 3.46Å; K846-E850 PolarHBondContact O-N 3.43Å; S847-E850 WeakPolarHBondContact CA-OE2 3.37Å; E850-R852 VanDerWaalsContact C-N 3.33Å; E850-R852 PolarHBondContact O-N 2.93Å; E850-M853 PolarHBondContact O-N 3.09Å; E850-Q854 WeakPolarHBondContact O-CB 3.27Å; E850-Q854 PolarHBondContact O-N 3.35Å
851	T	68.4	Low	69.7	Low	79 Å²	79	105.4 Å²	105.4	49%	0.485	50%	0.499	S	S	.	.	H	α-helix	trans	-61	-40.3	173.3	-53.9	0	0	0	0	111.8	S847 L849 I855	S847-T851 WeakPolarHBondContact O-CB 3.07Å; S847-T851 PolarHBondContact O-N 3.49Å; S847-T851 PolarHBondContact O-OG1 3.27Å; L849-T851 VanDerWaalsContact C-N 3.32Å; L849-T851 PolarHBondContact O-N 3.07Å; T851-I855 HydrophobicContact CG2-CD1 4.28Å; T851-I855 WeakPolarHBondContact O-CD1 3.23Å; T851-I855 VanDerWaalsContact O-CG1 3.28Å; T851-I855 WeakPolarHBondContact O-CG1 3.42Å; T851-I855 PolarHBondContact O-N 3.03Å; T851-I855 VanDerWaalsContact O-N 3.12Å
852	R	69.6	Low	70.5	Confident	158 Å²	158	106.4 Å²	106.4	60%	0.596	50%	0.502	S	S	*	.	H	α-helix	trans	-68.7	-39.3	174.5	-84.8	179.9	163.8	176.3	-6.1	112.3	R848 L849 E850 I855 L856	R848-R852 PolarHBondContact O-N 3.44Å; L849-R852 CarbonylContact O-C 3.59Å; L849-R852 WeakPolarHBondContact O-CB 3.36Å; L849-R852 PolarHBondContact O-N 2.94Å; L849-R852 VanDerWaalsContact O-N 3.1Å; E850-R852 VanDerWaalsContact C-N 3.33Å; E850-R852 PolarHBondContact O-N 2.93Å; R852-I855 PolarHBondContact O-N 2.89Å; R852-L856 WeakPolarHBondContact O-CG 3.43Å; R852-L856 PolarHBondContact O-N 3.47Å
853	M	66.3	Low	71.4	Confident	93 Å²	93	105.9 Å²	105.9	46%	0.458	50%	0.499	S	S	.	.	H	α-helix	trans	-63.2	-44.2	176.4	-169	-176.7	79.6	0	0	110.5	L849 E850 I855 L856 E857	L849-M853 WeakPolarHBondContact O-CB 3.31Å; L849-M853 PolarHBondContact O-N 3.22Å; E850-M853 PolarHBondContact O-N 3.09Å; M853-I855 PolarHBondContact O-N 3.45Å; M853-L856 CarbonylContact O-C 3.38Å; M853-L856 PolarHBondContact O-N 3.5Å; M853-E857 WeakPolarHBondContact O-CG 3.48Å; M853-E857 PolarHBondContact O-N 3.04Å
854	Q	74.5	Confident	72.2	Confident	88 Å²	88	102.1 Å²	102.1	41%	0.411	49%	0.489	S	S	.	.	H	α-helix	trans	-59.4	-46.4	174.7	-173.8	63.9	52	0	0	111.9	E850 L856 E857 D858	E850-Q854 WeakPolarHBondContact O-CB 3.27Å; E850-Q854 PolarHBondContact O-N 3.35Å; Q854-L856 VanDerWaalsContact C-N 3.3Å; Q854-L856 PolarHBondContact O-N 3.45Å; Q854-E857 PolarHBondContact O-N 3.19Å; Q854-D858 VanDerWaalsContact NE2-CG 3.27Å; Q854-D858 PolarHBondContact NE2-OD1 2.9Å; Q854-D858 VanDerWaalsContact NE2-OD1 3.09Å; Q854-D858 PolarHBondContact NE2-OD2 3.33Å; Q854-D858 WeakPolarHBondContact O-CB 3.42Å; Q854-D858 VanDerWaalsContact O-CG 3.29Å; Q854-D858 PolarHBondContact O-N 3.37Å
855	I	80.6	Confident	72.8	Confident	87 Å²	87	98.7 Å²	98.7	45%	0.446	48%	0.481	S	S	.	.	H	α-helix	trans	-59.9	-41	175.6	-68.8	163.6	0	0	0	111	T851 R852 M853 D858 H859	T851-I855 HydrophobicContact CG2-CD1 4.28Å; T851-I855 WeakPolarHBondContact O-CD1 3.23Å; T851-I855 VanDerWaalsContact O-CG1 3.28Å; T851-I855 WeakPolarHBondContact O-CG1 3.42Å; T851-I855 PolarHBondContact O-N 3.03Å; T851-I855 VanDerWaalsContact O-N 3.12Å; R852-I855 PolarHBondContact O-N 2.89Å; M853-I855 PolarHBondContact O-N 3.45Å; I855-D858 PolarHBondContact O-N 2.93Å; I855-H859 WeakPolarHBondContact O-CB 3.4Å; I855-H859 PolarHBondContact O-CD2 3.2Å; I855-H859 PolarHBondContact O-N 2.88Å
856	L	70.9	Confident	73.3	Confident	120 Å²	120	98.3 Å²	98.3	63%	0.628	48%	0.479	S	S	*	.	H	α-helix	trans	-69.8	-39.3	176.8	-70.7	169.3	0	0	0	112.6	R852 M853 Q854 N860	R852-L856 WeakPolarHBondContact O-CG 3.43Å; R852-L856 PolarHBondContact O-N 3.47Å; M853-L856 CarbonylContact O-C 3.38Å; M853-L856 PolarHBondContact O-N 3.5Å; Q854-L856 VanDerWaalsContact C-N 3.3Å; Q854-L856 PolarHBondContact O-N 3.45Å; L856-N860 VanDerWaalsContact O-CB 3.31Å; L856-N860 WeakPolarHBondContact O-CB 3.44Å; L856-N860 PolarHBondContact O-N 3.16Å
857	E	79.3	Confident	73.4	Confident	69 Å²	69	97.9 Å²	97.9	32%	0.322	48%	0.481	S	S	.	.	H	α-helix	trans	-62.5	-41.5	172.9	-78.4	-171.6	-160.7	0	0	111.6	M853 Q854 N860 K861	M853-E857 WeakPolarHBondContact O-CG 3.48Å; M853-E857 PolarHBondContact O-N 3.04Å; Q854-E857 PolarHBondContact O-N 3.19Å; E857-N860 PolarHBondContact O-N 2.96Å; E857-K861 VanDerWaalsContact O-CG 3.27Å; E857-K861 WeakPolarHBondContact O-CG 3.35Å; E857-K861 PolarHBondContact O-N 2.97Å; E857-K861 IonicContact OE2-NZ 2.65Å
858	D	77.3	Confident	73.8	Confident	71 Å²	71	100.4 Å²	100.4	38%	0.38	49%	0.485	S	S	.	.	H	α-helix	trans	-75.6	-34.3	-179.2	-65.5	-26.2	0	0	0	111.9	Q854 I855 N860 K861 Q862	Q854-D858 VanDerWaalsContact NE2-CG 3.27Å; Q854-D858 PolarHBondContact NE2-OD1 2.9Å; Q854-D858 VanDerWaalsContact NE2-OD1 3.09Å; Q854-D858 PolarHBondContact NE2-OD2 3.33Å; Q854-D858 WeakPolarHBondContact O-CB 3.42Å; Q854-D858 VanDerWaalsContact O-CG 3.29Å; Q854-D858 PolarHBondContact O-N 3.37Å; I855-D858 PolarHBondContact O-N 2.93Å; D858-N860 VanDerWaalsContact C-N 3.32Å; D858-K861 IonicContact OD1-NZ 3.87Å; D858-K861 PolarHBondContact OD1-NZ 3.1Å; D858-Q862 WeakPolarHBondContact O-CB 3.44Å; D858-Q862 PolarHBondContact O-N 2.99Å
859	H	74.9	Confident	73.8	Confident	111 Å²	111	100.9 Å²	100.9	51%	0.514	49%	0.487	S	S	.	.	H	α-helix	trans	-60.9	-40.8	165.2	-81.4	-140.2	0	0	0	111.4	I855 Q862 L863	I855-H859 WeakPolarHBondContact O-CB 3.4Å; I855-H859 PolarHBondContact O-CD2 3.2Å; I855-H859 PolarHBondContact O-N 2.88Å; H859-Q862 WeakPolarHBondContact O-CB 3.39Å; H859-Q862 PolarHBondContact O-N 2.87Å; H859-L863 WeakPolarHBondContact O-CG 3.46Å; H859-L863 PolarHBondContact O-N 2.8Å
860	N	75.8	Confident	73.9	Confident	87 Å²	87	99.4 Å²	99.4	47%	0.465	48%	0.479	S	S	.	.	H	α-helix	trans	-68.4	-45.1	178.8	-162.9	35.7	0	0	0	111.4	L856 E857 D858 Q862 L863 E864	L856-N860 VanDerWaalsContact O-CB 3.31Å; L856-N860 WeakPolarHBondContact O-CB 3.44Å; L856-N860 PolarHBondContact O-N 3.16Å; E857-N860 PolarHBondContact O-N 2.96Å; D858-N860 VanDerWaalsContact C-N 3.32Å; N860-Q862 PolarHBondContact O-N 3.28Å; N860-L863 CarbonylContact O-C 3.45Å; N860-L863 WeakPolarHBondContact O-CB 3.45Å; N860-L863 PolarHBondContact O-N 3.49Å; N860-L863 VanDerWaalsContact O-N 3.08Å; N860-E864 WeakPolarHBondContact O-CB 3.44Å; N860-E864 WeakPolarHBondContact O-CG 3.35Å; N860-E864 PolarHBondContact O-N 3.41Å
861	K	83	Confident	73.9	Confident	91 Å²	91	102.5 Å²	102.5	40%	0.396	49%	0.487	S	S	.	.	H	α-helix	trans	-56.5	-36.7	170.6	-69.3	162.5	-153.8	155.3	0	111.8	E857 D858 E864 S865	E857-K861 VanDerWaalsContact O-CG 3.27Å; E857-K861 WeakPolarHBondContact O-CG 3.35Å; E857-K861 PolarHBondContact O-N 2.97Å; E857-K861 IonicContact OE2-NZ 2.65Å; D858-K861 IonicContact OD1-NZ 3.87Å; D858-K861 PolarHBondContact OD1-NZ 3.1Å; K861-E864 PolarHBondContact O-N 3.3Å; K861-S865 WeakPolarHBondContact O-CB 3.21Å; K861-S865 PolarHBondContact O-N 3.4Å
862	Q	78.2	Confident	74	Confident	115 Å²	115	103.9 Å²	103.9	54%	0.537	49%	0.488	S	S	.	.	H	α-helix	trans	-66.9	-42.9	175.8	-169.8	172.4	0.1	0	0	111.6	D858 H859 N860 S865 Q866	D858-Q862 WeakPolarHBondContact O-CB 3.44Å; D858-Q862 PolarHBondContact O-N 2.99Å; H859-Q862 WeakPolarHBondContact O-CB 3.39Å; H859-Q862 PolarHBondContact O-N 2.87Å; N860-Q862 PolarHBondContact O-N 3.28Å; Q862-S865 PolarHBondContact O-N 2.82Å; Q862-S865 PolarHBondContact O-OG 2.81Å; Q862-Q866 WeakPolarHBondContact O-CG 3.21Å; Q862-Q866 PolarHBondContact O-N 2.89Å
863	L	75.4	Confident	73.9	Confident	93 Å²	93	102 Å²	102	49%	0.487	49%	0.489	S	S	.	.	H	α-helix	trans	-64.8	-41.8	172.9	-69.4	168.1	0	0	0	112.2	H859 N860 S865 Q866 L867	H859-L863 WeakPolarHBondContact O-CG 3.46Å; H859-L863 PolarHBondContact O-N 2.8Å; N860-L863 CarbonylContact O-C 3.45Å; N860-L863 WeakPolarHBondContact O-CB 3.45Å; N860-L863 PolarHBondContact O-N 3.49Å; N860-L863 VanDerWaalsContact O-N 3.08Å; L863-S865 VanDerWaalsContact C-N 3.34Å; L863-S865 PolarHBondContact O-N 3Å; L863-Q866 PolarHBondContact O-N 3.12Å; L863-L867 WeakPolarHBondContact O-CB 3.39Å; L863-L867 PolarHBondContact O-N 3.42Å
864	E	75.2	Confident	73.1	Confident	104 Å²	104	104 Å²	104	49%	0.486	50%	0.501	S	S	.	.	H	α-helix	trans	-60.2	-42.3	173.2	-72.7	174.1	163.5	0	0	111.4	N860 K861 Q866 L867 Q868	N860-E864 WeakPolarHBondContact O-CB 3.44Å; N860-E864 WeakPolarHBondContact O-CG 3.35Å; N860-E864 PolarHBondContact O-N 3.41Å; K861-E864 PolarHBondContact O-N 3.3Å; E864-Q866 VanDerWaalsContact C-N 3.33Å; E864-Q866 PolarHBondContact O-N 3.45Å; E864-L867 PolarHBondContact O-N 2.91Å; E864-Q868 WeakPolarHBondContact O-CB 3.18Å; E864-Q868 PolarHBondContact O-N 3.04Å
865	S	75.1	Confident	72.3	Confident	66 Å²	66	106.3 Å²	106.3	46%	0.462	52%	0.516	S	S	.	.	H	α-helix	trans	-65.1	-35.5	175.7	80.9	0	0	0	0	112.5	K861 Q862 L863 R869	K861-S865 WeakPolarHBondContact O-CB 3.21Å; K861-S865 PolarHBondContact O-N 3.4Å; Q862-S865 PolarHBondContact O-N 2.82Å; Q862-S865 PolarHBondContact O-OG 2.81Å; L863-S865 VanDerWaalsContact C-N 3.34Å; L863-S865 PolarHBondContact O-N 3Å; S865-R869 WeakPolarHBondContact O-CB 3.22Å; S865-R869 PolarHBondContact O-N 3.49Å
866	Q	71.7	Confident	70.6	Confident	99 Å²	99	109.1 Å²	109.1	46%	0.463	53%	0.527	S	S	.	.	H	α-helix	trans	-69.4	-43.3	174.1	-72.4	174	-8.2	0	0	111.1	Q862 L863 E864 R869 L870	Q862-Q866 WeakPolarHBondContact O-CG 3.21Å; Q862-Q866 PolarHBondContact O-N 2.89Å; L863-Q866 PolarHBondContact O-N 3.12Å; E864-Q866 VanDerWaalsContact C-N 3.33Å; E864-Q866 PolarHBondContact O-N 3.45Å; Q866-R869 PolarHBondContact O-N 2.9Å; Q866-L870 WeakPolarHBondContact O-CB 3.21Å; Q866-L870 VanDerWaalsContact O-CG 3.31Å; Q866-L870 WeakPolarHBondContact O-CG 3.41Å; Q866-L870 PolarHBondContact O-N 3.25Å
867	L	71.4	Confident	69.3	Low	88 Å²	88	108.5 Å²	108.5	46%	0.461	53%	0.53	S	S	.	.	H	α-helix	trans	-62	-40.8	173.4	-82.2	166.7	0	0	0	112.4	L863 E864 L870 R871	L863-L867 WeakPolarHBondContact O-CB 3.39Å; L863-L867 PolarHBondContact O-N 3.42Å; E864-L867 PolarHBondContact O-N 2.91Å; L867-L870 PolarHBondContact O-N 3.24Å; L867-R871 WeakPolarHBondContact O-CB 3.21Å; L867-R871 WeakPolarHBondContact O-CG 3.33Å; L867-R871 PolarHBondContact O-N 3.12Å
868	Q	72.1	Confident	67.7	Low	117 Å²	117	111 Å²	111	55%	0.547	55%	0.552	S	S	.	*	H	α-helix	trans	-66.4	-42.8	176.6	-176.1	167.5	-18.9	0	0	111.2	E864 L870 R871 E872	E864-Q868 WeakPolarHBondContact O-CB 3.18Å; E864-Q868 PolarHBondContact O-N 3.04Å; Q868-L870 PolarHBondContact O-N 2.97Å; Q868-R871 WeakPolarHBondContact O-CB 3.39Å; Q868-R871 PolarHBondContact O-N 3.24Å; Q868-E872 WeakPolarHBondContact O-CG 3.4Å; Q868-E872 PolarHBondContact O-N 2.96Å
869	R	72.9	Confident	65.8	Low	182 Å²	182	114.1 Å²	114.1	69%	0.687	57%	0.574	S	S	*	*	H	α-helix	trans	-65.6	-36.2	175.6	-157.2	176.4	-155	163.8	6.5	112.8	S865 Q866 E872 L873	S865-R869 WeakPolarHBondContact O-CB 3.22Å; S865-R869 PolarHBondContact O-N 3.49Å; Q866-R869 PolarHBondContact O-N 2.9Å; R869-E872 PolarHBondContact O-N 2.98Å; R869-L873 WeakPolarHBondContact O-CG 3.21Å; R869-L873 PolarHBondContact O-N 3.21Å; R869-L873 VanDerWaalsContact O-N 3.09Å
870	L	65.8	Low	64	Low	81 Å²	81	117.5 Å²	117.5	42%	0.424	59%	0.59	S	S	.	*	H	α-helix	trans	-66.7	-39.6	171.4	-76.5	165.5	0	0	0	111.7	Q866 L867 Q868 L873 L874	Q866-L870 WeakPolarHBondContact O-CB 3.21Å; Q866-L870 VanDerWaalsContact O-CG 3.31Å; Q866-L870 WeakPolarHBondContact O-CG 3.41Å; Q866-L870 PolarHBondContact O-N 3.25Å; L867-L870 PolarHBondContact O-N 3.24Å; Q868-L870 PolarHBondContact O-N 2.97Å; L870-L873 PolarHBondContact O-N 2.88Å; L870-L874 WeakPolarHBondContact O-CB 3.25Å; L870-L874 VanDerWaalsContact O-CG 3.31Å; L870-L874 WeakPolarHBondContact O-CG 3.41Å; L870-L874 PolarHBondContact O-N 3.04Å
871	R	73.7	Confident	62.1	Low	154 Å²	154	119 Å²	119	58%	0.581	61%	0.607	S	S	*	*	H	α-helix	trans	-63.4	-42.6	173.1	-74	164.7	-179.7	164	0.7	111.7	L867 Q868 L873 L874 L875	L867-R871 WeakPolarHBondContact O-CB 3.21Å; L867-R871 WeakPolarHBondContact O-CG 3.33Å; L867-R871 PolarHBondContact O-N 3.12Å; Q868-R871 WeakPolarHBondContact O-CB 3.39Å; Q868-R871 PolarHBondContact O-N 3.24Å; R871-L873 VanDerWaalsContact C-N 3.33Å; R871-L873 PolarHBondContact O-N 3.1Å; R871-L874 CarbonylContact O-C 3.57Å; R871-L874 PolarHBondContact O-N 2.81Å; R871-L875 HydrophobicContact CB-CD1 4.49Å; R871-L875 VanDerWaalsContact O-CB 3.23Å; R871-L875 WeakPolarHBondContact O-CB 3.3Å; R871-L875 WeakPolarHBondContact O-CD1 3.41Å; R871-L875 VanDerWaalsContact O-CG 3.24Å; R871-L875 WeakPolarHBondContact O-CG 3.38Å; R871-L875 PolarHBondContact O-N 3.29Å
872	E	69.6	Low	59.6	Low	108 Å²	108	122.2 Å²	122.2	51%	0.505	63%	0.629	S	S	.	*	H	α-helix	trans	-61.1	-39.6	175	-74.6	168.9	-176.1	0	0	112.3	Q868 R869 L875	Q868-E872 WeakPolarHBondContact O-CG 3.4Å; Q868-E872 PolarHBondContact O-N 2.96Å; R869-E872 PolarHBondContact O-N 2.98Å; E872-L875 PolarHBondContact O-N 3.32Å
873	L	68.1	Low	57.4	Low	117 Å²	117	119.8 Å²	119.8	61%	0.613	64%	0.635	S	S	*	*	H	α-helix	trans	-69.1	-34.5	174.1	-70.8	167.3	0	0	0	112.9	R869 L870 R871	R869-L873 WeakPolarHBondContact O-CG 3.21Å; R869-L873 PolarHBondContact O-N 3.21Å; R869-L873 VanDerWaalsContact O-N 3.09Å; L870-L873 PolarHBondContact O-N 2.88Å; R871-L873 VanDerWaalsContact C-N 3.33Å; R871-L873 PolarHBondContact O-N 3.1Å
874	L	50.4	Low	55.1	Low	136 Å²	136	122 Å²	122	71%	0.712	66%	0.658	S	S	*	*	H	α-helix	trans	-79.8	-17.9	176.3	-73.2	166.3	0	0	0	113.8	L870 R871	L870-L874 WeakPolarHBondContact O-CB 3.25Å; L870-L874 VanDerWaalsContact O-CG 3.31Å; L870-L874 WeakPolarHBondContact O-CG 3.41Å; L870-L874 PolarHBondContact O-N 3.04Å; R871-L874 CarbonylContact O-C 3.57Å; R871-L874 PolarHBondContact O-N 2.81Å
875	L	56.3	Low	52.9	Low	136 Å²	136	120.3 Å²	120.3	71%	0.712	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.6	-1.5	-179.5	-79.6	165.5	0	0	0	113.9	R871 E872 P877	R871-L875 HydrophobicContact CB-CD1 4.49Å; R871-L875 VanDerWaalsContact O-CB 3.23Å; R871-L875 WeakPolarHBondContact O-CB 3.3Å; R871-L875 WeakPolarHBondContact O-CD1 3.41Å; R871-L875 VanDerWaalsContact O-CG 3.24Å; R871-L875 WeakPolarHBondContact O-CG 3.38Å; R871-L875 PolarHBondContact O-N 3.29Å; E872-L875 PolarHBondContact O-N 3.32Å; L875-P877 VanDerWaalsContact O-CD 3.22Å; L875-P877 WeakPolarHBondContact O-CD 3.16Å
876	Q	44.8	Very low	51.3	Low	147 Å²	147	123.4 Å²	123.4	69%	0.687	69%	0.69	S	S	*	*			trans	-72	115.2	169.3	-68.4	-167.7	5	0	0	110.1
877	P	44	Very low	50.1	Low	106 Å²	106	123.7 Å²	123.7	69%	0.688	71%	0.71	S	S	*	*			trans	-72.8	144.6	177.2	-12.9	30.2	0	0	0	110.4	L875 T879	L875-P877 VanDerWaalsContact O-CD 3.22Å; L875-P877 WeakPolarHBondContact O-CD 3.16Å; P877-T879 PolarHBondContact O-N 3.43Å; P877-T879 VanDerWaalsContact O-N 3.08Å
878	P	46.6	Very low	48.2	Very low	122 Å²	122	122.9 Å²	122.9	79%	0.792	72%	0.723	S	S	*	*			trans	-68.2	108.8	173.1	28.4	-33.3	0	0	0	109.9	E880	P878-E880 PolarHBondContact O-N 3.31Å; P878-E880 VanDerWaalsContact O-N 3.15Å
879	T	37	Very low	46.2	Very low	136 Å²	136	122.5 Å²	122.5	83%	0.834	73%	0.733	S	S	*	*			trans	-76.5	97.5	172.5	52.8	0	0	0	0	110	P877	P877-T879 PolarHBondContact O-N 3.43Å; P877-T879 VanDerWaalsContact O-N 3.08Å
880	E	37.8	Very low	44	Very low	183 Å²	183	118.3 Å²	118.3	86%	0.855	73%	0.732	S	S	*	*			trans	-66.8	143.8	165.8	-65.6	-167.3	136.4	0	0	110.9	P878	P878-E880 PolarHBondContact O-N 3.31Å; P878-E880 VanDerWaalsContact O-N 3.15Å
881	S	35.7	Very low	42.4	Very low	118 Å²	118	122.4 Å²	122.4	83%	0.825	75%	0.753	S	S	*	*			trans	-148.7	103.4	166.3	-180	0	0	0	0	109
882	D	29.3	Very low	40.2	Very low	158 Å²	158	119.1 Å²	119.1	85%	0.845	76%	0.758	S	S	*	*			trans	-58.1	158.7	170	-71	-66.2	0	0	0	112.7
883	G	31.7	Very low	38.4	Very low	64 Å²	64	119.3 Å²	119.3	66%	0.66	77%	0.772	S	S	*	*			cis	161.6	152.7	-7.5	0	0	0	0	0	113.5
884	S	28.6	Very low	36.7	Very low	139 Å²	139	119.6 Å²	119.6	97%	0.972	78%	0.784	S	S	*	*			trans	59.1	129.3	170.8	-158.7	0	0	0	0	118
885	G	28	Very low	36.2	Very low	70 Å²	70	119.1 Å²	119.1	72%	0.722	79%	0.789	S	S	*	*			cis	-175.8	-178.5	0.8	0	0	0	0	0	109.2
886	S	41.7	Very low	35.2	Very low	131 Å²	131	121.3 Å²	121.3	92%	0.916	80%	0.795	S	S	*	*			cis	-137.6	114.1	2.1	-176.2	0	0	0	0	107.1
887	A	45.8	Very low	34.3	Very low	105 Å²	105	123.4 Å²	123.4	87%	0.868	81%	0.805	S	S	*	*			trans	-100.7	121.6	-144.8	0	0	0	0	0	115.8
888	G	31.8	Very low	33.4	Very low	71 Å²	71	122.7 Å²	122.7	73%	0.732	80%	0.803	S	S	*	*			trans	-99.1	-169	147.4	0	0	0	0	0	110.3
889	S	30.1	Very low	32.5	Very low	108 Å²	108	126.3 Å²	126.3	76%	0.755	81%	0.809	S	S	*	*			cis	-166.4	143.2	-2	-155.3	0	0	0	0	110.9
890	S	28.6	Very low	31.8	Very low	95 Å²	95	123.1 Å²	123.1	66%	0.664	80%	0.803	S	S	*	*			trans	47.6	123.7	135.4	-49.8	0	0	0	0	123.8
891	L	30.4	Very low	31.2	Very low	167 Å²	167	120.5 Å²	120.5	87%	0.874	81%	0.805	S	S	*	*				76.9	136	126	-67.4	171.2	0	0	0	123.7
892	A	27.2	Very low	30.5	Very low	84 Å²	84	123.7 Å²	123.7	69%	0.694	81%	0.806	S	S	*	*			trans	82.5	99.9	136.2	0	0	0	0	0	123.1
893	S	32.6	Very low	31.1	Very low	113 Å²	113	121.3 Å²	121.3	79%	0.79	80%	0.8	S	S	*	*				56.7	106.2	115.1	-50.8	0	0	0	0	123.3
894	S	32.9	Very low	30.7	Very low	123 Å²	123	127.8 Å²	127.8	86%	0.86	80%	0.804	S	S	*	*			trans	67.2	169.8	146.3	-67.5	0	0	0	0	117.7
895	P	39.2	Very low	30.7	Very low	125 Å²	125	126.8 Å²	126.8	81%	0.812	78%	0.784	S	S	*	*			cis	-130.3	-162.1	6.9	43.8	-26.2	0	0	0	115.2
896	Q	34.7	Very low	30.7	Very low	183 Å²	183	131.8 Å²	131.8	86%	0.855	79%	0.786	S	S	*	*			trans	-96.3	149.2	169.6	-59.9	176.9	-64.9	0	0	112.6
897	Q	26.5	Very low	29.9	Very low	191 Å²	191	128.6 Å²	128.6	89%	0.893	77%	0.774	S	S	*	*			trans	-169.3	144.1	132.5	-111.3	172.7	20	0	0	115.4
898	S	25.9	Very low	29.1	Very low	91 Å²	91	132.6 Å²	132.6	64%	0.636	78%	0.775	S	S	*	*			trans	19.3	129.4	155	56.5	0	0	0	0	124.1
899	E	26.6	Very low	28.9	Very low	198 Å²	198	136 Å²	136	93%	0.925	78%	0.782	S	S	*	*			trans	49.2	130.8	132.8	-57.5	-171.1	131.9	0	0	122.7
900	G	23.6	Very low	28.7	Very low	69 Å²	69	137.5 Å²	137.5	71%	0.711	79%	0.786	S	S	*	*			trans	146.6	119.4	141.5	0	0	0	0	0	119.4
901	S	24	Very low	29.5	Very low	127 Å²	127	137.8 Å²	137.8	89%	0.888	79%	0.786	S	S	*	*			trans	78	120.5	145.5	-51	0	0	0	0	122
902	H	22.6	Very low	29.3	Very low	185 Å²	185	136.7 Å²	136.7	86%	0.856	78%	0.781	S	S	*	*			trans	-70.9	-173.5	152.1	-56.8	-84.3	0	0	0	111.6
903	P	40.3	Very low	29.2	Very low	109 Å²	109	138.4 Å²	138.4	71%	0.708	78%	0.783	S	S	*	*			cis	-140.2	-178.3	-5.5	31.2	-7.6	0	0	0	117.3
904	R	25	Very low	29.1	Very low	200 Å²	200	141.7 Å²	141.7	76%	0.755	79%	0.786	S	S	*	*			trans	88.2	128.2	133.8	-99.3	-178.2	148.7	167.3	-7.5	124
905	E	27.5	Very low	28.9	Very low	117 Å²	117	140.7 Å²	140.7	55%	0.547	79%	0.785	S	S	.	*				47.8	145.2	128.9	-69.7	175.7	-145.8	0	0	120.7
906	K	27.3	Very low	28.4	Very low	175 Å²	175	139.8 Å²	139.8	76%	0.761	79%	0.788	S	S	*	*			cis	-164.4	164.9	4.3	-107.3	157.5	-179.3	157	0	106.8
907	G	25.4	Very low	28.2	Very low	65 Å²	65	139.3 Å²	139.3	67%	0.67	79%	0.791	S	S	*	*			cis	166.3	164.7	-3.9	0	0	0	0	0	112.2
908	Q	29.2	Very low	28.5	Very low	188 Å²	188	135.1 Å²	135.1	88%	0.879	78%	0.775	S	S	*	*			trans	42.2	120.1	154.8	-63.2	175.6	-63.3	0	0	122.2
909	T	27.8	Very low	29	Very low	144 Å²	144	137.5 Å²	137.5	88%	0.883	79%	0.786	S	S	*	*				-157.1	134.5	112.5	41.9	0	0	0	0	111.3
910	T	26.4	Very low	29.5	Very low	138 Å²	138	130.7 Å²	130.7	85%	0.847	77%	0.768	S	S	*	*			trans	-117	-177	169.7	43.2	0	0	0	0	108.5
911	P	44.9	Very low	30.2	Very low	102 Å²	102	130.2 Å²	130.2	66%	0.662	75%	0.754	S	S	*	*			cis	-117.7	-165.3	-0.1	46.1	-32.3	0	0	0	111.7
912	D	25.2	Very low	30.8	Very low	143 Å²	143	131.9 Å²	131.9	77%	0.765	75%	0.745	S	S	*	*			cis	-121.9	-163.2	4.2	-90.6	-61.6	0	0	0	109.1
913	T	26.6	Very low	31.4	Very low	121 Å²	121	127.8 Å²	127.8	74%	0.742	74%	0.738	S	S	*	*			cis	-154.3	160.7	16.2	-36.7	0	0	0	0	112
914	E	29.1	Very low	31.4	Very low	181 Å²	181	129.5 Å²	129.5	85%	0.846	74%	0.736	S	S	*	*			trans	13.6	109	164.6	-69.3	179.1	173.7	0	0	121.6
915	A	29.1	Very low	32.2	Very low	103 Å²	103	125.1 Å²	125.1	85%	0.851	73%	0.728	S	S	*	*				63.5	98.8	126.5	0	0	0	0	0	122
916	A	28.1	Very low	33.1	Very low	106 Å²	106	124 Å²	124	88%	0.876	73%	0.729	S	S	*	*				-158.9	120.3	128.3	0	0	0	0	0	109.8
917	D	31.1	Very low	33.9	Very low	172 Å²	172	118.7 Å²	118.7	92%	0.92	71%	0.714	S	S	*	*			trans	-145.4	166.6	179.7	-150.6	-12	0	0	0	111.4
918	D	32.1	Very low	35.1	Very low	104 Å²	104	120.8 Å²	120.8	56%	0.556	71%	0.709	S	S	*	*			trans	70.5	90.4	-173.9	-165.5	19.3	0	0	0	118.4	G920 S921	D918-G920 PolarHBondContact OD1-N 3.05Å; D918-S921 PolarHBondContact OD1-N 3.13Å
919	V	37.8	Very low	35.9	Very low	141 Å²	141	114.9 Å²	114.9	86%	0.855	69%	0.688	S	S	*	*			trans	-126.3	48.2	143.1	-166.4	0	0	0	0	109.3
920	G	36.2	Very low	36.8	Very low	54 Å²	54	112.7 Å²	112.7	56%	0.557	67%	0.67	S	S	*	*			trans	-94.3	-33.3	176.6	0	0	0	0	0	113.6	D918	D918-G920 PolarHBondContact OD1-N 3.05Å
921	S	38.8	Very low	38.1	Very low	59 Å²	59	111.8 Å²	111.8	41%	0.413	66%	0.657	S	S	.	*	T	Hydrogen-bonded Turn	trans	-65.2	-41.5	-168.7	43.6	0	0	0	0	115.5	D918 S923 Q924	D918-S921 PolarHBondContact OD1-N 3.13Å; S921-S923 VanDerWaalsContact C-N 3.27Å; S921-S923 PolarHBondContact O-N 3.3Å; S921-S923 VanDerWaalsContact O-N 3.08Å; S921-Q924 PolarHBondContact O-N 3.46Å
922	K	36.6	Very low	38.4	Very low	162 Å²	162	110.4 Å²	110.4	70%	0.704	64%	0.643	S	S	*	*	H	α-helix	trans	-68.8	-11.7	-165.8	-68.7	-175.8	178.3	177.2	0	116.6
923	S	35.6	Very low	39.9	Very low	100 Å²	100	107.4 Å²	107.4	70%	0.699	63%	0.626	S	S	*	*	H	α-helix	trans	-85	-17.2	-179.5	-166.4	0	0	0	0	114.1	S921	S921-S923 VanDerWaalsContact C-N 3.27Å; S921-S923 PolarHBondContact O-N 3.3Å; S921-S923 VanDerWaalsContact O-N 3.08Å
924	Q	39	Very low	41	Very low	144 Å²	144	106.2 Å²	106.2	67%	0.673	61%	0.614	S	S	*	*	H	α-helix	trans	-89.8	-40	-178.8	-85.2	177.7	-67.3	0	0	112.9	S921 V926 S927 L928	S921-Q924 PolarHBondContact O-N 3.46Å; Q924-V926 VanDerWaalsContact C-N 3.26Å; Q924-V926 PolarHBondContact O-N 2.98Å; Q924-S927 WeakPolarHBondContact O-CB 3.48Å; Q924-S927 PolarHBondContact O-N 2.79Å; Q924-L928 PolarHBondContact O-N 2.85Å; Q924-L928 VanDerWaalsContact O-N 3.08Å
925	D	41.5	Very low	42.2	Very low	109 Å²	109	102.8 Å²	102.8	58%	0.583	60%	0.598	S	S	*	*	H	α-helix	trans	-58.9	-36.9	177.9	-68.8	-27.2	0	0	0	112.7	S927 L928 C929	D925-S927 VanDerWaalsContact C-N 3.33Å; D925-S927 PolarHBondContact O-N 3.07Å; D925-L928 PolarHBondContact O-N 2.83Å; D925-C929 WeakPolarHBondContact O-CB 3.33Å; D925-C929 PolarHBondContact O-N 2.99Å
926	V	47.7	Very low	43.1	Very low	92 Å²	92	103.8 Å²	103.8	56%	0.558	58%	0.583	S	S	*	*	H	α-helix	trans	-66.1	-35.3	177.3	179.9	0	0	0	0	111.7	Q924 L930	Q924-V926 VanDerWaalsContact C-N 3.26Å; Q924-V926 PolarHBondContact O-N 2.98Å; V926-L930 HydrophobicContact CG1-CD1 4.35Å; V926-L930 PolarHBondContact O-N 3.07Å; V926-L930 VanDerWaalsContact O-N 3.12Å
927	S	44.1	Very low	43.8	Very low	65 Å²	65	103.7 Å²	103.7	46%	0.455	57%	0.567	S	S	.	*	H	α-helix	trans	-69.3	-47	176.1	-165.9	0	0	0	0	111.1	Q924 D925 C929 L930 E931	Q924-S927 WeakPolarHBondContact O-CB 3.48Å; Q924-S927 PolarHBondContact O-N 2.79Å; D925-S927 VanDerWaalsContact C-N 3.33Å; D925-S927 PolarHBondContact O-N 3.07Å; S927-C929 VanDerWaalsContact C-N 3.33Å; S927-C929 PolarHBondContact O-N 2.9Å; S927-L930 PolarHBondContact O-N 3.47Å; S927-E931 PolarHBondContact O-N 3.28Å
928	L	49.5	Very low	44.4	Very low	108 Å²	108	103.6 Å²	103.6	57%	0.565	55%	0.554	S	S	*	*	H	α-helix	trans	-63.8	-38.9	179.1	-66.5	170.9	0	0	0	111.8	Q924 D925 E931 D932	Q924-L928 PolarHBondContact O-N 2.85Å; Q924-L928 VanDerWaalsContact O-N 3.08Å; D925-L928 PolarHBondContact O-N 2.83Å; L928-E931 PolarHBondContact O-N 3.43Å; L928-D932 WeakPolarHBondContact O-CB 3.46Å; L928-D932 PolarHBondContact O-N 3.24Å
929	C	47.6	Very low	45	Very low	65 Å²	65	105.8 Å²	105.8	44%	0.439	56%	0.56	S	S	.	*	H	α-helix	trans	-63.2	-41.2	174.1	-173.1	0	0	0	0	112.2	D925 S927 I933	D925-C929 WeakPolarHBondContact O-CB 3.33Å; D925-C929 PolarHBondContact O-N 2.99Å; S927-C929 VanDerWaalsContact C-N 3.33Å; S927-C929 PolarHBondContact O-N 2.9Å; C929-I933 WeakPolarHBondContact O-CB 3.41Å; C929-I933 WeakPolarHBondContact O-CD1 3.44Å; C929-I933 WeakPolarHBondContact O-CG1 3.41Å; C929-I933 PolarHBondContact O-N 3.3Å
930	L	46.3	Very low	45.2	Very low	97 Å²	97	102 Å²	102	51%	0.508	54%	0.544	S	S	.	.	H	α-helix	trans	-66.5	-38	175.9	-85.8	164.5	0	0	0	112.8	V926 S927 M934	V926-L930 HydrophobicContact CG1-CD1 4.35Å; V926-L930 PolarHBondContact O-N 3.07Å; V926-L930 VanDerWaalsContact O-N 3.12Å; S927-L930 PolarHBondContact O-N 3.47Å; L930-M934 WeakPolarHBondContact O-CB 3.37Å; L930-M934 WeakPolarHBondContact O-CG 3.33Å; L930-M934 PolarHBondContact O-N 3.48Å
931	E	52.8	Low	45.2	Very low	120 Å²	120	107.3 Å²	107.3	56%	0.561	55%	0.552	S	S	*	*	H	α-helix	trans	-68.4	-43.2	176	-70.9	-175.7	114.3	0	0	112	S927 L928 M934 E935	S927-E931 PolarHBondContact O-N 3.28Å; L928-E931 PolarHBondContact O-N 3.43Å; E931-M934 PolarHBondContact O-N 3.32Å; E931-E935 WeakPolarHBondContact O-CB 3.14Å; E931-E935 PolarHBondContact O-N 3.18Å
932	D	51.8	Low	45.1	Very low	72 Å²	72	109.7 Å²	109.7	39%	0.385	57%	0.566	S	S	.	*	H	α-helix	trans	-62	-40.9	173.7	172.3	54.6	0	0	0	112.5	L928 E935 K936	L928-D932 WeakPolarHBondContact O-CB 3.46Å; L928-D932 PolarHBondContact O-N 3.24Å; D932-E935 PolarHBondContact O-N 3Å; D932-K936 WeakPolarHBondContact O-CB 3.33Å; D932-K936 WeakPolarHBondContact O-CD 3.45Å; D932-K936 WeakPolarHBondContact O-CG 3.22Å; D932-K936 PolarHBondContact O-N 3.36Å; D932-K936 WeakPolarHBondContact OD1-CE 3.38Å; D932-K936 IonicContact OD1-NZ 3.26Å; D932-K936 PolarHBondContact OD1-NZ 3.09Å; D932-K936 IonicContact OD2-NZ 3.67Å; D932-K936 PolarHBondContact OD2-NZ 3.31Å
933	I	56.3	Low	44.8	Very low	80 Å²	80	107.3 Å²	107.3	41%	0.41	57%	0.57	S	S	.	*	H	α-helix	trans	-64.1	-42.2	172.8	-71.7	166.5	0	0	0	111.2	C929 K936 L937	C929-I933 WeakPolarHBondContact O-CB 3.41Å; C929-I933 WeakPolarHBondContact O-CD1 3.44Å; C929-I933 WeakPolarHBondContact O-CG1 3.41Å; C929-I933 PolarHBondContact O-N 3.3Å; I933-K936 PolarHBondContact O-N 3.1Å; I933-L937 HydrophobicContact CG2-CD1 4.05Å; I933-L937 WeakPolarHBondContact O-CB 3.47Å; I933-L937 WeakPolarHBondContact O-CG 3.27Å; I933-L937 PolarHBondContact O-N 3.43Å
934	M	50.7	Low	44.6	Very low	96 Å²	96	109.2 Å²	109.2	47%	0.473	58%	0.577	S	S	.	*	H	α-helix	trans	-66.9	-34.4	176.6	-80.4	177.5	46.5	0	0	112.8	L930 E931 R938	L930-M934 WeakPolarHBondContact O-CB 3.37Å; L930-M934 WeakPolarHBondContact O-CG 3.33Å; L930-M934 PolarHBondContact O-N 3.48Å; E931-M934 PolarHBondContact O-N 3.32Å; M934-R938 WeakPolarHBondContact O-CG 3.36Å; M934-R938 PolarHBondContact O-N 3.13Å; M934-R938 VanDerWaalsContact O-N 3.16Å
935	E	53.4	Low	44.2	Very low	110 Å²	110	113.3 Å²	113.3	51%	0.514	59%	0.586	S	S	.	*	H	α-helix	trans	-72.5	-42.5	175.9	-168.8	140.1	-118.6	0	0	111.4	E931 D932 L937 R938 H939	E931-E935 WeakPolarHBondContact O-CB 3.14Å; E931-E935 PolarHBondContact O-N 3.18Å; D932-E935 PolarHBondContact O-N 3Å; E935-L937 VanDerWaalsContact C-N 3.33Å; E935-L937 PolarHBondContact O-N 3Å; E935-R938 WeakPolarHBondContact O-CB 3.4Å; E935-R938 PolarHBondContact O-N 3Å; E935-R938 VanDerWaalsContact O-N 3.09Å; E935-H939 PolarHBondContact O-CD2 3.49Å; E935-H939 PolarHBondContact O-N 2.88Å; E935-H939 VanDerWaalsContact O-N 3.08Å
936	K	47.6	Very low	43.7	Very low	123 Å²	123	113.7 Å²	113.7	54%	0.535	60%	0.597	S	S	.	*	H	α-helix	trans	-59.6	-40.1	171.3	-76	164.1	176.6	160.5	0	112.5	D932 I933 R938 H939 A940	D932-K936 WeakPolarHBondContact O-CB 3.33Å; D932-K936 WeakPolarHBondContact O-CD 3.45Å; D932-K936 WeakPolarHBondContact O-CG 3.22Å; D932-K936 PolarHBondContact O-N 3.36Å; D932-K936 WeakPolarHBondContact OD1-CE 3.38Å; D932-K936 IonicContact OD1-NZ 3.26Å; D932-K936 PolarHBondContact OD1-NZ 3.09Å; D932-K936 IonicContact OD2-NZ 3.67Å; D932-K936 PolarHBondContact OD2-NZ 3.31Å; I933-K936 PolarHBondContact O-N 3.1Å; K936-R938 VanDerWaalsContact C-N 3.33Å; K936-R938 PolarHBondContact O-N 3.27Å; K936-H939 PolarHBondContact O-N 3.27Å; K936-A940 PolarHBondContact O-N 3.07Å
937	L	42.8	Very low	42.8	Very low	104 Å²	104	114.3 Å²	114.3	55%	0.545	61%	0.606	S	S	.	*	H	α-helix	trans	-65.8	-30.9	174.2	-78.5	167.7	0	0	0	113.4	I933 E935	I933-L937 HydrophobicContact CG2-CD1 4.05Å; I933-L937 WeakPolarHBondContact O-CB 3.47Å; I933-L937 WeakPolarHBondContact O-CG 3.27Å; I933-L937 PolarHBondContact O-N 3.43Å; E935-L937 VanDerWaalsContact C-N 3.33Å; E935-L937 PolarHBondContact O-N 3Å
938	R	44.2	Very low	42.1	Very low	171 Å²	171	118.2 Å²	118.2	65%	0.645	62%	0.621	S	S	*	*	H	α-helix	trans	-70.4	-33.6	172	-71.3	168.3	-175.7	157.3	3.5	112.4	M934 E935 K936	M934-R938 WeakPolarHBondContact O-CG 3.36Å; M934-R938 PolarHBondContact O-N 3.13Å; M934-R938 VanDerWaalsContact O-N 3.16Å; E935-R938 WeakPolarHBondContact O-CB 3.4Å; E935-R938 PolarHBondContact O-N 3Å; E935-R938 VanDerWaalsContact O-N 3.09Å; K936-R938 VanDerWaalsContact C-N 3.33Å; K936-R938 PolarHBondContact O-N 3.27Å
939	H	43.7	Very low	41.2	Very low	150 Å²	150	118.7 Å²	118.7	69%	0.694	63%	0.628	S	S	*	*	H	α-helix	trans	-78.3	-23.2	175.8	-79	-71.1	0	0	0	114	E935 K936 F941	E935-H939 PolarHBondContact O-CD2 3.49Å; E935-H939 PolarHBondContact O-N 2.88Å; E935-H939 VanDerWaalsContact O-N 3.08Å; K936-H939 PolarHBondContact O-N 3.27Å; H939-F941 VanDerWaalsContact C-N 3.3Å; H939-F941 PolarHBondContact O-N 3.34Å
940	A	43.3	Very low	40.3	Very low	61 Å²	61	122.5 Å²	122.5	50%	0.504	65%	0.65	S	S	.	*	S	Bend	trans	-69.3	-19.8	-179.7	0	0	0	0	0	114.9	K936	K936-A940 PolarHBondContact O-N 3.07Å
941	F	37	Very low	39.6	Very low	165 Å²	165	121.9 Å²	121.9	72%	0.724	66%	0.659	S	S	*	*	S	Bend	trans	-130.2	88.6	-176.6	-66.4	-77.2	0	0	0	112.7	H939 S943	H939-F941 VanDerWaalsContact C-N 3.3Å; H939-F941 PolarHBondContact O-N 3.34Å; F941-S943 PolarHBondContact O-N 3.06Å
942	P	35	Very low	38.5	Very low	110 Å²	110	123.8 Å²	123.8	71%	0.714	67%	0.673	S	S	*	*			trans	-60	128	173.8	-23.7	34.5	0	0	0	112.2	V944	P942-V944 PolarHBondContact O-N 3.29Å
943	S	31.7	Very low	37.6	Very low	112 Å²	112	125.7 Å²	125.7	78%	0.783	69%	0.687	S	S	*	*			trans	-74.2	98.7	177.5	-168.9	0	0	0	0	111	F941 R945	F941-S943 PolarHBondContact O-N 3.06Å; S943-R945 PolarHBondContact O-N 3.1Å
944	V	30.2	Very low	36.4	Very low	139 Å²	139	128.8 Å²	128.8	84%	0.842	70%	0.704	S	S	*	*			trans	-75	105.6	175.3	-178.1	0	0	0	0	109.9	P942	P942-V944 PolarHBondContact O-N 3.29Å
945	R	30.9	Very low	35.5	Very low	230 Å²	230	131.8 Å²	131.8	87%	0.868	72%	0.721	S	S	*	*			trans	-102.4	158.7	161.5	-82.4	-174.7	168.8	-177.7	-2.3	110.7	S943	S943-R945 PolarHBondContact O-N 3.1Å
946	S	31.1	Very low	34.5	Very low	118 Å²	118	130.9 Å²	130.9	83%	0.825	73%	0.732	S	S	*	*			trans	-86.6	138.6	-156.8	53.6	0	0	0	0	116.9
947	S	30	Very low	34	Very low	104 Å²	104	134.3 Å²	134.3	73%	0.727	77%	0.772	S	S	*	*			trans	179.8	147.7	150.6	50.3	0	0	0	0	108.4
948	D	28.9	Very low	33.6	Very low	147 Å²	147	135.8 Å²	135.8	79%	0.786	78%	0.783	S	S	*	*			cis	-158.3	165.5	-14.4	-123.7	-38.2	0	0	0	111.6
949	V	30.1	Very low	33	Very low	118 Å²	118	133.9 Å²	133.9	72%	0.715	79%	0.79	S	S	*	*			trans	19.5	118.8	159.1	-177	0	0	0	0	120.3
950	T	29.5	Very low	32.4	Very low	146 Å²	146	133.1 Å²	133.1	90%	0.896	80%	0.796	S	S	*	*				-161.1	154	121.1	5.9	0	0	0	0	111.4
951	A	31.3	Very low	31.8	Very low	83 Å²	83	137.3 Å²	137.3	69%	0.686	81%	0.813	S	S	*	*			trans	-134.8	140.2	-174.2	0	0	0	0	0	112.7
952	N	29.7	Very low	31.4	Very low	161 Å²	161	135.6 Å²	135.6	86%	0.861	82%	0.818	S	S	*	*			trans	-170.4	108.7	158.7	-87.7	-34.4	0	0	0	105.5
953	T	33.1	Very low	31.2	Very low	112 Å²	112	137.3 Å²	137.3	69%	0.687	83%	0.825	S	S	*	*			cis	84.9	118.7	44.9	-48	0	0	0	0	112.7
954	L	30.8	Very low	31.2	Very low	145 Å²	145	139.1 Å²	139.1	76%	0.759	83%	0.828	S	S	*	*			trans	90.5	101.7	167.5	-57.5	168.9	0	0	0	121.2
955	L	32.2	Very low	31.2	Very low	159 Å²	159	139.1 Å²	139.1	83%	0.832	83%	0.827	S	S	*	*				57.4	142.4	118.8	-68.2	176.4	0	0	0	123.9
956	A	32.2	Very low	31.3	Very low	91 Å²	91	131.5 Å²	131.5	75%	0.752	82%	0.824	S	S	*	*			trans	71.9	143.2	163.1	0	0	0	0	0	116.7
957	S	36.5	Very low	31.3	Very low	194 Å²	194	132.7 Å²	132.7	100%	1.357	82%	0.824	S	S	*	*			cis	-125	0	6.3	-53.1	0	0	0	0	112.3

Retrieved 957 of 957 residues in 5718.2 ms (Link to these results)

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