A0A096N6J3_PAPAN Loading...

Round spermatid basic protein 1

AlphaFold DB , UniProt , Accession A0A096N6J3, Species PAPAN (Papio anubis, Olive baboon), Gene RSBN1, Length 802 aa.

						>A0A096N6J3_PAPAN|A0A096N6J3|RSBN1
MFISGRRTADKWRAEERLQCPAGSARAALARCADGGAVGPFKCVFVGEMAAQVGAVRVVRAVAAQEEPDKEGKEKPPAGVSPRGVKRQRRSSSGGSQEKRGRPSQEPPLAPPHRRRRSRQHPGPLPPTNAAPTVPGPVEPLLLPPPPPPSLAPAGPAVAAPLPAASTSALFTFSPLTVSAAGPKHKGHKERHKHHHHRGSDGDPSSCGTDLKHKDKQENGERTGGVPLIKAPKRETPDENGKTQRADDFVLKKIKKKKKKKHREDMRGRRLKMYNKEVQTVCAGLTRISKEILTQGQINSTSGLNKESFRYLKDEQLCRLNLGMQEYRVPQGVQTPFMTHQEHSIRRNFLKTGTKFSNFIHEEHQSNGGALVLHAYMDELSFLSPMEMERFSEEFLALTFSENEKNAAYYALAIVHGAAAYLPDFLDYFAFNFPNTPVKMEILGKKDIETTTISNFHTQVNRTYCCGTYRAGPMRQISLVGAVDEEVGDYFPEFLDMLEESPFLKMTLPWGTLSSLRLQCRSQSDDGPIMWVRPGEQMIPTADMPKSPFKRRRSMNEIKNLQYLPRTSEPREVLFEDRTRAHADHVGQGFDWQSTAAVGVLKAVQFGEWSDQPRITKDVICFHAEDFTDVVQRLQLDLHEPPVSQCVQWVDEAKLNQMRREGIRYARIQLCDNDIYFIPRNVIHQFKTVSAVCSLAWHIRLKQYHPVVEATQNTESNSNMDCGLTGKRELEVDSQCVRIKTESEETCTEIQLLTTASSSFPPASELNLQQDQKTQPIPVLKVESRLDSDQQHNLQEHSTTSV
					

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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	32.4	Very low	33	Very low	231 Å²	231	157.2 Å²	157.2	100%	1.138	81%	0.811	S	S	*	*				0	144.5	0	-76.1	174.7	170.6	0	0	108.2
2	F	35.6	Very low	32.6	Very low	175 Å²	175	160.2 Å²	160.2	77%	0.768	80%	0.804	S	S	*	*			trans	32.1	122.5	170.2	-57.5	-81.1	0	0	0	119.9
3	I	36	Very low	32.3	Very low	149 Å²	149	163.7 Å²	163.7	76%	0.764	80%	0.802	S	S	*	*				66.1	128	53.5	-55.4	165.7	0	0	0	110
4	S	36.8	Very low	32.1	Very low	118 Å²	118	157.4 Å²	157.4	83%	0.825	79%	0.79	S	S	*	*			cis	-152.3	171.5	18.6	34.4	0	0	0	0	111.5
5	G	32.2	Very low	31.9	Very low	70 Å²	70	159.3 Å²	159.3	72%	0.722	80%	0.795	S	S	*	*			cis	165.9	170.8	-5.8	0	0	0	0	0	114.9
6	R	32.8	Very low	31.8	Very low	240 Å²	240	158.1 Å²	158.1	91%	0.906	79%	0.786	S	S	*	*			trans	21.4	125.8	159.3	-59.2	-178.4	-178.6	-164.1	-0.5	120
7	R	32.9	Very low	31.6	Very low	236 Å²	236	160.8 Å²	160.8	89%	0.891	79%	0.785	S	S	*	*				63.6	111	63.4	-76.7	-166.1	179	-170.2	1.8	116.5
8	T	30.5	Very low	31.5	Very low	138 Å²	138	159 Å²	159	85%	0.847	78%	0.779	S	S	*	*				-177.1	136.6	125.9	26.6	0	0	0	0	108.2
9	A	31	Very low	31.4	Very low	80 Å²	80	160.1 Å²	160.1	66%	0.661	78%	0.782	S	S	*	*				63.9	137.8	76.6	0	0	0	0	0	112.8
10	D	31.3	Very low	31.2	Very low	132 Å²	132	158.7 Å²	158.7	71%	0.706	79%	0.788	S	S	*	*			cis	-140.7	160.3	13.8	-94.2	-66.3	0	0	0	109.5
11	K	31.3	Very low	31.9	Very low	160 Å²	160	156.8 Å²	156.8	70%	0.696	79%	0.787	S	S	*	*			cis	92.4	146.1	41	-157.2	-177.6	-176.1	178.4	0	113.6
12	W	28.7	Very low	31.8	Very low	193 Å²	193	150.6 Å²	150.6	73%	0.731	77%	0.772	S	S	*	*			trans	76.6	146.8	-179.4	-50	98	0	0	0	115.5
13	R	28.6	Very low	31.4	Very low	206 Å²	206	145.4 Å²	145.4	78%	0.777	77%	0.768	S	S	*	*			cis	-148.6	177.6	-6.7	-159.8	174.2	-101.9	-124.6	2.4	109.8
14	A	29.5	Very low	31.1	Very low	76 Å²	76	144.4 Å²	144.4	63%	0.628	78%	0.775	S	S	*	*			trans	-55.5	173.7	162.6	0	0	0	0	0	112.6
15	E	28.1	Very low	30.9	Very low	185 Å²	185	142.8 Å²	142.8	86%	0.864	77%	0.768	S	S	*	*			cis	-166.7	161.5	40	-152.9	151	-130.3	0	0	114.2
16	E	30.4	Very low	30.9	Very low	140 Å²	140	151.1 Å²	151.1	65%	0.654	78%	0.778	S	S	*	*			trans	9.2	127.8	156	-151.3	-170.1	-99	0	0	121
17	R	29.2	Very low	30.9	Very low	205 Å²	205	144.1 Å²	144.1	77%	0.774	77%	0.772	S	S	*	*				173.3	154	107.8	-91.6	-175.9	-177.4	-153.8	-10.1	117.6
18	L	29.6	Very low	30.8	Very low	128 Å²	128	137.1 Å²	137.1	67%	0.67	76%	0.764	S	S	*	*			trans	9.4	124.5	160.1	-75.6	74.1	0	0	0	118.8
19	Q	28.8	Very low	30.8	Very low	179 Å²	179	138.6 Å²	138.6	84%	0.836	77%	0.766	S	S	*	*				59.5	108.4	76.1	-70.5	-177	-36.2	0	0	115.4
20	C	27.9	Very low	30.8	Very low	133 Å²	133	138.8 Å²	138.8	90%	0.899	77%	0.768	S	S	*	*			trans	-160.1	163.9	145.9	-111.2	0	0	0	0	110.2
21	P	45.8	Very low	30.8	Very low	118 Å²	118	144 Å²	144	77%	0.766	78%	0.777	S	S	*	*			trans	-119.1	-163.8	-148.3	44.8	-36.6	0	0	0	116.3
22	A	29.8	Very low	30.8	Very low	101 Å²	101	142.4 Å²	142.4	84%	0.835	79%	0.785	S	S	*	*			trans	-23.5	157.4	162.6	0	0	0	0	0	117.6
23	G	28.2	Very low	31	Very low	66 Å²	66	137.6 Å²	137.6	68%	0.68	79%	0.787	S	S	*	*			cis	145.4	-172	11.1	0	0	0	0	0	109.9
24	S	30.7	Very low	31.1	Very low	129 Å²	129	135.9 Å²	135.9	90%	0.902	79%	0.793	S	S	*	*			trans	71	158.7	-176.9	-158.3	0	0	0	0	115.3
25	A	32.4	Very low	31	Very low	83 Å²	83	135.8 Å²	135.8	69%	0.686	80%	0.799	S	S	*	*				172.3	135.7	-55.4	0	0	0	0	0	109.3
26	R	30.6	Very low	30.9	Very low	245 Å²	245	131 Å²	131	93%	0.925	80%	0.799	S	S	*	*			trans	174.1	135.2	160.7	-98.3	160.2	171.6	-168.6	-4.4	107.7
27	A	33	Very low	30.8	Very low	94 Å²	94	128.8 Å²	128.8	78%	0.777	81%	0.805	S	S	*	*				73	135.2	59.6	0	0	0	0	0	112.7
28	A	32.3	Very low	30.9	Very low	89 Å²	89	126.1 Å²	126.1	74%	0.736	81%	0.811	S	S	*	*			cis	-166.4	-166.1	-1.1	0	0	0	0	0	111.1
29	L	30.1	Very low	31.1	Very low	169 Å²	169	123.3 Å²	123.3	89%	0.885	81%	0.813	S	S	*	*			trans	81.9	132.4	174.1	-52.7	163	0	0	0	114.3
30	A	31.2	Very low	31.3	Very low	84 Å²	84	120.8 Å²	120.8	69%	0.694	81%	0.812	S	S	*	*			cis	77.7	139.9	30.2	0	0	0	0	0	114
31	R	31.5	Very low	31.5	Very low	241 Å²	241	124.3 Å²	124.3	91%	0.909	81%	0.813	S	S	*	*			cis	-111.9	-156	8	-56.8	-178.5	179.8	174.2	0.5	109.9
32	C	30.5	Very low	30.5	Very low	126 Å²	126	127.9 Å²	127.9	85%	0.851	82%	0.816	S	S	*	*			cis	-152.7	-159.5	5.1	-146.8	0	0	0	0	110.9
33	A	32.4	Very low	30.3	Very low	93 Å²	93	128.7 Å²	128.7	77%	0.769	81%	0.814	S	S	*	*			trans	-142.3	159.1	-175.3	0	0	0	0	0	113.6
34	D	30.3	Very low	30.2	Very low	170 Å²	170	132.2 Å²	132.2	91%	0.909	82%	0.822	S	S	*	*				-164.8	167.9	121.3	-148.6	-15.9	0	0	0	111.1
35	G	28.4	Very low	30	Very low	74 Å²	74	134.8 Å²	134.8	76%	0.763	82%	0.817	S	S	*	*			trans	83.5	111	166.1	0	0	0	0	0	115.9
36	G	26.8	Very low	29.8	Very low	83 Å²	83	137.5 Å²	137.5	86%	0.856	83%	0.825	S	S	*	*			trans	-134.5	147.2	177.9	0	0	0	0	0	114.4
37	A	28.2	Very low	29.6	Very low	94 Å²	94	129.5 Å²	129.5	78%	0.777	82%	0.819	S	S	*	*			trans	-165.5	147	156.1	0	0	0	0	0	110.5
38	V	30.3	Very low	29.5	Very low	149 Å²	149	134.2 Å²	134.2	90%	0.903	82%	0.824	S	S	*	*			trans	56	113.8	168.1	-163.8	0	0	0	0	117.1
39	G	33.3	Very low	29.2	Very low	69 Å²	69	139.1 Å²	139.1	71%	0.711	84%	0.835	S	S	*	*			trans	-104.4	165.1	175.5	0	0	0	0	0	114.4
40	P	34.5	Very low	29.2	Very low	126 Å²	126	136 Å²	136	82%	0.818	83%	0.833	S	S	*	*			trans	-108.7	164	172.1	39	-31.8	0	0	0	113.9
41	F	30.3	Very low	29	Very low	208 Å²	208	136.2 Å²	136.2	91%	0.912	84%	0.835	S	S	*	*			trans	-70.1	140.4	177.3	-76.1	-112.6	0	0	0	113.6
42	K	25.3	Very low	28.8	Very low	193 Å²	193	133.4 Å²	133.4	84%	0.839	83%	0.832	S	S	*	*			trans	-140.2	126	146	-81	-174.2	175.8	176.8	0	106.5
43	C	26.1	Very low	28.7	Very low	117 Å²	117	134.4 Å²	134.4	79%	0.791	83%	0.834	S	S	*	*				61.4	96.8	60.6	-164.6	0	0	0	0	111.3
44	V	25.9	Very low	28.5	Very low	140 Å²	140	132.9 Å²	132.9	85%	0.848	83%	0.828	S	S	*	*			trans	-130.8	141.7	172.4	178.9	0	0	0	0	107
45	F	25.9	Very low	28.4	Very low	183 Å²	183	129.8 Å²	129.8	80%	0.803	83%	0.826	S	S	*	*			trans	-133.6	162.7	-174	-140.6	-80.1	0	0	0	109
46	V	29.6	Very low	28.3	Very low	141 Å²	141	132.6 Å²	132.6	86%	0.855	83%	0.828	S	S	*	*			trans	74.6	134.6	174.4	-165.6	0	0	0	0	115.2
47	G	24.8	Very low	28.4	Very low	76 Å²	76	139.6 Å²	139.6	78%	0.784	83%	0.828	S	S	*	*			trans	171.4	51.2	177.6	0	0	0	0	0	114.7
48	E	32.8	Very low	28.3	Very low	193 Å²	193	141.4 Å²	141.4	90%	0.902	83%	0.83	S	S	*	*			trans	-69.3	129.6	176.5	-177.4	-172.3	179.8	0	0	111.7
49	M	25.8	Very low	28.1	Very low	193 Å²	193	140.2 Å²	140.2	95%	0.951	82%	0.822	S	S	*	*			trans	-162.6	136.8	160.7	-115.7	179.4	-168.6	0	0	112.2
50	A	28.5	Very low	27.8	Very low	102 Å²	102	147.9 Å²	147.9	84%	0.843	83%	0.83	S	S	*	*			trans	-108.2	132.7	173.6	0	0	0	0	0	111.3
51	A	28	Very low	27.4	Very low	90 Å²	90	146.2 Å²	146.2	74%	0.744	83%	0.826	S	S	*	*			trans	-166.4	166	162.1	0	0	0	0	0	111.9
52	Q	27.9	Very low	27.4	Very low	181 Å²	181	142.7 Å²	142.7	85%	0.846	82%	0.822	S	S	*	*			trans	-58.3	142.6	-175.4	-68.2	82.9	-8.3	0	0	115.1
53	V	28.6	Very low	27.5	Very low	147 Å²	147	138.2 Å²	138.2	89%	0.891	82%	0.82	S	S	*	*			trans	-120.3	122.7	150.8	-178.8	0	0	0	0	108.6
54	G	27.5	Very low	27.5	Very low	62 Å²	62	137.2 Å²	137.2	64%	0.639	82%	0.821	S	S	*	*			trans	-82.2	136	179.7	0	0	0	0	0	112.6	V56	G54-V56 PolarHBondContact O-N 2.86Å
55	A	28.7	Very low	27.5	Very low	105 Å²	105	140.1 Å²	140.1	87%	0.868	83%	0.825	S	S	*	*			trans	-71.6	107.7	-179.4	0	0	0	0	0	112.6	R57	A55-R57 PolarHBondContact O-N 3.37Å
56	V	26.3	Very low	27.6	Very low	133 Å²	133	140 Å²	140	81%	0.806	83%	0.827	S	S	*	*			trans	-79.5	108.2	171.5	178.5	0	0	0	0	109.8	G54 V58	G54-V56 PolarHBondContact O-N 2.86Å; V56-V58 PolarHBondContact O-N 3.05Å
57	R	28.5	Very low	27.6	Very low	230 Å²	230	140.5 Å²	140.5	87%	0.868	82%	0.82	S	S	*	*			trans	-72.2	117.8	169.9	-85.2	-178.7	167	173.2	-3.8	110.7	A55	A55-R57 PolarHBondContact O-N 3.37Å
58	V	25.9	Very low	28.4	Very low	132 Å²	132	142.5 Å²	142.5	80%	0.8	82%	0.819	S	S	*	*			trans	-94.8	106.4	160.1	179.6	0	0	0	0	108.5	V56	V56-V58 PolarHBondContact O-N 3.05Å
59	V	26.8	Very low	28.3	Very low	123 Å²	123	139.8 Å²	139.8	75%	0.745	81%	0.811	S	S	*	*			trans	-93.7	116.2	172.3	178.4	0	0	0	0	108.5
60	R	25.4	Very low	28.6	Very low	231 Å²	231	140.4 Å²	140.4	87%	0.872	81%	0.808	S	S	*	*			trans	-103	100.1	172.6	-167.3	172.8	-172.4	164.4	2.1	109.7
61	A	26.4	Very low	28.7	Very low	90 Å²	90	145 Å²	145	74%	0.744	81%	0.812	S	S	*	*			trans	-72.6	148.3	172	0	0	0	0	0	111
62	V	29.9	Very low	28.8	Very low	135 Å²	135	144 Å²	144	82%	0.818	81%	0.811	S	S	*	*			trans	-125.9	131.8	166.3	-179.9	0	0	0	0	106.6
63	A	28.6	Very low	28.9	Very low	98 Å²	98	143.9 Å²	143.9	81%	0.81	81%	0.808	S	S	*	*			trans	-82	154	-174.6	0	0	0	0	0	112.3
64	A	26.8	Very low	28.9	Very low	97 Å²	97	144.3 Å²	144.3	80%	0.802	80%	0.8	S	S	*	*			trans	-96.4	163.2	169	0	0	0	0	0	111.1
65	Q	25.2	Very low	29	Very low	200 Å²	200	150.6 Å²	150.6	94%	0.935	81%	0.81	S	S	*	*			trans	-127.8	158.1	162.2	-71	-163.6	-97	0	0	109.5
66	E	26.8	Very low	30.1	Very low	180 Å²	180	151 Å²	151	84%	0.841	80%	0.804	S	S	*	*			trans	-107.5	142	-167.3	-61.1	177.2	123.3	0	0	112.7
67	E	31.3	Very low	30.8	Very low	152 Å²	152	150.9 Å²	150.9	71%	0.71	81%	0.806	S	S	*	*			trans	63.8	165.8	136.3	-70	-43	121.7	0	0	120.5	D69	E67-D69 PolarHBondContact OE2-N 3.34Å; E67-D69 VanDerWaalsContact OE2-N 3.14Å
68	P	40.2	Very low	30.9	Very low	118 Å²	118	144.9 Å²	144.9	77%	0.766	81%	0.805	S	S	*	*			cis	-134.7	144.4	19.2	39.6	-20	0	0	0	120.6
69	D	32	Very low	30.9	Very low	136 Å²	136	141.9 Å²	141.9	73%	0.727	80%	0.801	S	S	*	*				34.1	131.6	125	-106.2	-30.3	0	0	0	122.4	E67	E67-D69 PolarHBondContact OE2-N 3.34Å; E67-D69 VanDerWaalsContact OE2-N 3.14Å
70	K	32.2	Very low	31	Very low	206 Å²	206	143.1 Å²	143.1	90%	0.896	81%	0.809	S	S	*	*			trans	-156.4	139.1	138.6	-75.4	-151.2	176.8	179.9	0	114
71	E	30.5	Very low	31.3	Very low	198 Å²	198	137.3 Å²	137.3	93%	0.925	80%	0.803	S	S	*	*			trans	-69.3	166.7	166.5	-58	176.8	97	0	0	112.7
72	G	30	Very low	32	Very low	71 Å²	71	137.7 Å²	137.7	73%	0.732	80%	0.798	S	S	*	*			cis	163	-167.7	-1.1	0	0	0	0	0	112.7
73	K	29	Very low	31.9	Very low	177 Å²	177	143 Å²	143	77%	0.77	80%	0.804	S	S	*	*			trans	87.3	127.2	167.4	-75.7	-174.3	161.1	-125.1	0	123.9
74	E	28.5	Very low	31.8	Very low	157 Å²	157	141.4 Å²	141.4	73%	0.734	80%	0.797	S	S	*	*			trans	84.3	155.2	130.5	-73.1	166.2	-176.2	0	0	125
75	K	29.8	Very low	31.9	Very low	193 Å²	193	143.9 Å²	143.9	84%	0.839	80%	0.801	S	S	*	*			trans	-166.7	168.7	-174.2	-90.7	-174.5	178.6	176.2	0	107
76	P	51.8	Low	31.9	Very low	115 Å²	115	143.7 Å²	143.7	75%	0.747	80%	0.797	S	S	*	*			cis	-115.8	-153	-33.9	37.2	-17.5	0	0	0	108.7
77	P	42.1	Very low	32	Very low	129 Å²	129	146.1 Å²	146.1	84%	0.838	80%	0.799	S	S	*	*				-144.4	-149.4	67.1	38.6	-16	0	0	0	113
78	A	29.3	Very low	31.9	Very low	104 Å²	104	146.5 Å²	146.5	86%	0.86	80%	0.801	S	S	*	*			trans	-133.3	164.1	-169.1	0	0	0	0	0	113.5
79	G	25.7	Very low	31.2	Very low	69 Å²	69	150.8 Å²	150.8	71%	0.711	80%	0.802	S	S	*	*			trans	159.5	149.6	154.3	0	0	0	0	0	118.9
80	V	29.1	Very low	30.9	Very low	150 Å²	150	154 Å²	154	91%	0.909	80%	0.803	S	S	*	*			trans	75.8	135	154.6	-168.2	0	0	0	0	119.1
81	S	31.3	Very low	30.6	Very low	108 Å²	108	149.2 Å²	149.2	76%	0.755	80%	0.796	S	S	*	*			trans	-145.5	150.8	170.1	170.6	0	0	0	0	108.4
82	P	41.5	Very low	30.4	Very low	98 Å²	98	144.2 Å²	144.2	64%	0.636	78%	0.783	S	S	*	*			trans	-143.6	130.8	147.8	33.6	-16.5	0	0	0	116.3
83	R	28.1	Very low	30.2	Very low	248 Å²	248	146.3 Å²	146.3	94%	0.936	79%	0.787	S	S	*	*			trans	61.1	137.9	134.1	-53.8	171.6	-171.5	-163.5	1.7	119.1
84	G	27.1	Very low	30	Very low	64 Å²	64	141.8 Å²	141.8	66%	0.66	79%	0.79	S	S	*	*			cis	162.9	-168.2	-3.1	0	0	0	0	0	113.4
85	V	28	Very low	29.9	Very low	149 Å²	149	137.6 Å²	137.6	90%	0.903	79%	0.789	S	S	*	*			trans	68.8	116.9	172.5	-165.4	0	0	0	0	115.3
86	K	26.2	Very low	29.7	Very low	195 Å²	195	134.3 Å²	134.3	85%	0.848	79%	0.79	S	S	*	*			cis	112.9	86.7	14.6	-176.2	-165.6	177.4	-177.6	0	113.1
87	R	28.3	Very low	28.7	Very low	232 Å²	232	137.9 Å²	137.9	88%	0.875	80%	0.797	S	S	*	*			trans	-174.3	151.8	154.9	-106.3	174.2	170.4	172.9	-2.3	108.1
88	Q	28.6	Very low	28.1	Very low	160 Å²	160	140.3 Å²	140.3	75%	0.748	80%	0.797	S	S	*	*			cis	-146.3	172.5	-1.9	-164.8	148.6	-71.4	0	0	111.6
89	R	26.8	Very low	28.1	Very low	208 Å²	208	144.6 Å²	144.6	79%	0.785	80%	0.796	S	S	*	*			trans	-61.7	171.7	169.8	-70	177.8	168	-176.8	-2.7	112.5
90	R	25.6	Very low	28.3	Very low	202 Å²	202	153.7 Å²	153.7	76%	0.762	81%	0.809	S	S	*	*			cis	177.2	163	-21.5	-95.6	-179.8	169	-169.5	-3.1	105.6
91	S	25.4	Very low	28.1	Very low	106 Å²	106	150 Å²	150	74%	0.741	80%	0.802	S	S	*	*			trans	60.8	155.3	146	47.5	0	0	0	0	119.6
92	S	26.6	Very low	28	Very low	94 Å²	94	156.6 Å²	156.6	66%	0.657	81%	0.81	S	S	*	*			cis	-174.3	168	-19.2	52.2	0	0	0	0	108.9
93	S	25.4	Very low	27.9	Very low	115 Å²	115	157.7 Å²	157.7	80%	0.804	82%	0.817	S	S	*	*			trans	61.5	155.1	158.7	41.3	0	0	0	0	117.6
94	G	24.6	Very low	28	Very low	82 Å²	82	151.5 Å²	151.5	85%	0.845	81%	0.812	S	S	*	*			cis	136	128.3	-2.8	0	0	0	0	0	112.1
95	G	25.8	Very low	28.2	Very low	68 Å²	68	157.8 Å²	157.8	70%	0.701	82%	0.824	S	S	*	*			trans	144.5	125	-176.1	0	0	0	0	0	108.6
96	S	27.2	Very low	28.5	Very low	125 Å²	125	159.5 Å²	159.5	87%	0.874	82%	0.822	S	S	*	*			cis	95.6	106.5	24.8	-57.7	0	0	0	0	114.3
97	Q	30.1	Very low	29.2	Very low	190 Å²	190	156 Å²	156	89%	0.888	82%	0.82	S	S	*	*			trans	-147.2	165.4	161.1	-81.5	-172.3	-42.3	0	0	107.8
98	E	29	Very low	29.7	Very low	180 Å²	180	151.1 Å²	151.1	84%	0.841	82%	0.818	S	S	*	*				-145	167.1	-63.1	-148.9	-168.3	145.4	0	0	107.7
99	K	29.7	Very low	29.9	Very low	194 Å²	194	151.8 Å²	151.8	84%	0.843	83%	0.826	S	S	*	*			trans	-105.9	141.3	179.4	-71.8	-175.9	177.1	-178.3	0	111.9
100	R	28.9	Very low	30.5	Very low	259 Å²	259	146.6 Å²	146.6	98%	0.977	83%	0.827	S	S	*	*			trans	-132.3	157.1	148.8	-70.7	-170	176.5	-165.2	-0	109.4
101	G	26	Very low	31.3	Very low	74 Å²	74	142.6 Å²	142.6	76%	0.763	83%	0.828	S	S	*	*			trans	171.2	162.8	178.3	0	0	0	0	0	113.3
102	R	30.1	Very low	32.3	Very low	246 Å²	246	143.5 Å²	143.5	93%	0.928	83%	0.831	S	S	*	*			trans	176.1	165.7	172.6	-102.3	-179.4	-174.3	-142.5	2.6	107.3
103	P	38.3	Very low	32.5	Very low	121 Å²	121	148.6 Å²	148.6	79%	0.786	84%	0.844	S	S	*	*			cis	-126.3	-174.8	-38.9	37.6	-21.5	0	0	0	111.5
104	S	30.7	Very low	32.8	Very low	117 Å²	117	155.1 Å²	155.1	82%	0.818	85%	0.851	S	S	*	*			trans	-76.7	156.8	-178	-44.8	0	0	0	0	114.9
105	Q	31.2	Very low	33.1	Very low	197 Å²	197	162.9 Å²	162.9	92%	0.921	86%	0.855	S	S	*	*			trans	-136.4	154.9	153.6	-73.6	-168	-8.6	0	0	110.2
106	E	33.6	Very low	33.3	Very low	184 Å²	184	171.8 Å²	171.8	86%	0.86	87%	0.867	S	S	*	*	P	Polyproline II helix	trans	-97.8	152.9	-177.9	-63	-178.3	119.6	0	0	112.4
107	P	41.5	Very low	33.5	Very low	122 Å²	122	177.7 Å²	177.7	79%	0.792	87%	0.87	S	S	*	*	P	Polyproline II helix	trans	-89.4	131.4	178.1	33.7	-32.4	0	0	0	113
108	P	39.1	Very low	33.4	Very low	130 Å²	130	174 Å²	174	84%	0.844	87%	0.866	S	S	*	*	P	Polyproline II helix	trans	-82	130.3	178.4	30.7	-33.4	0	0	0	114.4
109	L	31.5	Very low	33.5	Very low	173 Å²	173	176.1 Å²	176.1	91%	0.906	87%	0.866	S	S	*	*			trans	-19.8	144.6	159.2	-63.1	158.2	0	0	0	118.6
110	A	39.4	Very low	33.6	Very low	99 Å²	99	174.5 Å²	174.5	82%	0.818	86%	0.861	S	S	*	*			trans	-104.3	142	171	0	0	0	0	0	113.3
111	P	43.8	Very low	34	Very low	119 Å²	119	170.9 Å²	170.9	77%	0.773	86%	0.855	S	S	*	*			trans	-114.2	179.8	171.3	45.2	-35.4	0	0	0	111.6
112	P	45.7	Very low	34.6	Very low	125 Å²	125	173.4 Å²	173.4	81%	0.812	86%	0.858	S	S	*	*				-128.2	167.5	-93.5	28.5	-6.6	0	0	0	115.7
113	H	31.2	Very low	34.6	Very low	200 Å²	200	165 Å²	165	93%	0.926	85%	0.847	S	S	*	*	P	Polyproline II helix	trans	-58.6	137.8	175.1	-78.1	-76.4	0	0	0	114
114	R	31.7	Very low	34.9	Very low	253 Å²	253	164.8 Å²	164.8	96%	0.955	85%	0.846	S	S	*	*	P	Polyproline II helix	trans	-101.2	140.3	159.6	-119.2	-178.7	-178.5	-163.4	1	111.3
115	R	30.8	Very low	35.1	Very low	245 Å²	245	166.8 Å²	166.8	93%	0.925	85%	0.847	S	S	*	*	P	Polyproline II helix	trans	-74.7	147.7	-172.1	-60.1	171.7	174	175.1	-4.5	113
116	R	30.1	Very low	35.5	Very low	255 Å²	255	163.2 Å²	163.2	96%	0.962	84%	0.841	S	S	*	*			trans	-137.9	164.5	141	-113.5	-179.5	-179	-162.1	-0.9	111.3
117	R	30.5	Very low	36.1	Very low	248 Å²	248	160 Å²	160	94%	0.936	84%	0.836	S	S	*	*			trans	-91	158	-154.8	-69.2	176.1	171.4	165.7	-4.4	114.2
118	S	29.2	Very low	35.6	Very low	113 Å²	113	161 Å²	161	79%	0.79	84%	0.84	S	S	*	*			trans	-82.5	154	168.3	50	0	0	0	0	112.9
119	R	30.7	Very low	35.2	Very low	224 Å²	224	162.8 Å²	162.8	85%	0.845	84%	0.842	S	S	*	*			trans	157	144.6	158.7	-92	-178	-175.6	-170.4	-0.6	107.1
120	Q	31	Very low	35.2	Very low	160 Å²	160	159.6 Å²	159.6	75%	0.748	84%	0.841	S	S	*	*			cis	-160.9	148.9	-15.3	-129.1	163.1	-25.5	0	0	107.1
121	H	37.7	Very low	34.7	Very low	184 Å²	184	159.4 Å²	159.4	85%	0.852	84%	0.839	S	S	*	*			trans	-84.1	157.4	168	-78.1	-71.6	0	0	0	110.7
122	P	38.3	Very low	34.6	Very low	126 Å²	126	159.3 Å²	159.3	82%	0.818	84%	0.839	S	S	*	*				-131	-177.9	111.6	37.8	-30.2	0	0	0	113.8
123	G	30.5	Very low	33.9	Very low	69 Å²	69	159.1 Å²	159.1	71%	0.711	84%	0.836	S	S	*	*			trans	-114.7	-147	-169.9	0	0	0	0	0	115.5
124	P	45.3	Very low	34.3	Very low	117 Å²	117	155.8 Å²	155.8	76%	0.76	83%	0.829	S	S	*	*			trans	-134.1	-180	-131.4	42.4	-25.6	0	0	0	117.6
125	L	33.9	Very low	34.7	Very low	159 Å²	159	149.7 Å²	149.7	83%	0.832	82%	0.822	S	S	*	*			trans	75.2	155.5	169.4	-59.5	-178.9	0	0	0	114.5
126	P	40.1	Very low	34.8	Very low	123 Å²	123	140.9 Å²	140.9	80%	0.799	81%	0.807	S	S	*	*			cis	-129.4	-177.1	34.5	39.5	-19.8	0	0	0	117
127	P	45.7	Very low	35.8	Very low	116 Å²	116	135.1 Å²	135.1	75%	0.753	80%	0.803	S	S	*	*			trans	-112.7	171.7	-170.5	41.6	-33.2	0	0	0	115.8
128	T	31.6	Very low	35.9	Very low	143 Å²	143	130.2 Å²	130.2	88%	0.877	80%	0.8	S	S	*	*			trans	-139.3	158.5	167.9	47.5	0	0	0	0	112.5
129	N	30.1	Very low	36.2	Very low	167 Å²	167	133.7 Å²	133.7	89%	0.893	80%	0.804	S	S	*	*			trans	-100.5	151.5	-168.9	-52.9	-62.2	0	0	0	113.9
130	A	31.8	Very low	37.4	Very low	107 Å²	107	127.7 Å²	127.7	88%	0.884	79%	0.794	S	S	*	*			trans	-164.1	146.2	142.2	0	0	0	0	0	112.3
131	A	29.3	Very low	37.4	Very low	94 Å²	94	127.7 Å²	127.7	78%	0.777	80%	0.799	S	S	*	*			trans	-138.2	164.7	163.6	0	0	0	0	0	106.6
132	P	41.8	Very low	37.2	Very low	117 Å²	117	126.9 Å²	126.9	76%	0.76	80%	0.8	S	S	*	*				-126.8	-152.8	54.7	26.6	-1.5	0	0	0	110.5
133	T	31.4	Very low	37.1	Very low	121 Å²	121	129.1 Å²	129.1	74%	0.742	80%	0.804	S	S	*	*			cis	-153.9	165.1	9.5	-34.2	0	0	0	0	110
134	V	38.4	Very low	37.8	Very low	131 Å²	131	131.4 Å²	131.4	79%	0.794	81%	0.806	S	S	*	*			trans	-138.7	136.1	172.6	177	0	0	0	0	110.8
135	P	40.2	Very low	37.5	Very low	125 Å²	125	131.9 Å²	131.9	81%	0.812	81%	0.809	S	S	*	*				-120.2	161.8	126.6	36.4	-31.2	0	0	0	109.9
136	G	33.8	Very low	38.2	Very low	59 Å²	59	129.7 Å²	129.7	61%	0.608	81%	0.805	S	S	*	*			cis	144.1	111.2	7.9	0	0	0	0	0	107.8
137	P	49.5	Very low	38.5	Very low	134 Å²	134	129.5 Å²	129.5	87%	0.87	80%	0.803	S	S	*	*			trans	-89.7	162.6	-163.2	35.3	-37	0	0	0	114.5
138	V	34.3	Very low	38.5	Very low	145 Å²	145	129.1 Å²	129.1	88%	0.879	80%	0.801	S	S	*	*			trans	-139.7	144.8	169.8	-153	0	0	0	0	109.3
139	E	35.3	Very low	39.1	Very low	186 Å²	186	127.7 Å²	127.7	87%	0.869	79%	0.794	S	S	*	*			trans	-129.2	171.4	-175.5	-106.4	-140.3	124.2	0	0	112.6
140	P	54.7	Low	39.2	Very low	99 Å²	99	125 Å²	125	64%	0.643	79%	0.788	S	S	*	*			trans	-104.5	165.7	-151.2	39.8	-38.2	0	0	0	117.5
141	L	32	Very low	39.2	Very low	160 Å²	160	128 Å²	128	84%	0.838	79%	0.788	S	S	*	*			trans	-140.4	129.8	162.6	-63	173.2	0	0	0	106.9
142	L	32.5	Very low	39.4	Very low	167 Å²	167	127.5 Å²	127.5	87%	0.874	78%	0.784	S	S	*	*				85.1	131.7	52.8	-70.5	177.8	0	0	0	115
143	L	37.4	Very low	39.6	Very low	172 Å²	172	128.1 Å²	128.1	90%	0.901	79%	0.788	S	S	*	*			trans	-94.5	154.5	-170.3	-71.1	163	0	0	0	114.2
144	P	45.3	Very low	39.5	Very low	118 Å²	118	127 Å²	127	77%	0.766	79%	0.792	S	S	*	*			trans	-124.9	170.3	154.5	31.7	-14.8	0	0	0	114.6
145	P	38.3	Very low	38.9	Very low	127 Å²	127	124 Å²	124	83%	0.825	79%	0.787	S	S	*	*			trans	-120.2	-136.5	-162.3	39.1	-18.4	0	0	0	115.8
146	P	49.5	Very low	39.5	Very low	113 Å²	113	124 Å²	124	73%	0.734	79%	0.787	S	S	*	*			trans	-118.5	-144	-131.2	39.6	-15.1	0	0	0	112.3
147	P	45.4	Very low	39.4	Very low	118 Å²	118	125.6 Å²	125.6	77%	0.766	79%	0.794	S	S	*	*			cis	-127	-89.7	-8.4	21.3	5.9	0	0	0	122.2
148	P	45.5	Very low	38.6	Very low	108 Å²	108	126.1 Å²	126.1	70%	0.701	80%	0.795	S	S	*	*			trans	-128.3	-154.1	-141.6	46.9	-27	0	0	0	113.6
149	P	44.3	Very low	38.4	Very low	114 Å²	114	123.7 Å²	123.7	74%	0.74	79%	0.79	S	S	*	*			cis	-141.1	172.5	-5.8	43.5	-25	0	0	0	119.1
150	S	32.6	Very low	38.3	Very low	109 Å²	109	119.2 Å²	119.2	76%	0.762	79%	0.785	S	S	*	*			trans	52.5	132.6	142.2	-161.6	0	0	0	0	124.5
151	L	32.2	Very low	37.8	Very low	171 Å²	171	120.6 Å²	120.6	90%	0.895	79%	0.794	S	S	*	*				-171.9	161.5	127.4	-104.1	167.2	0	0	0	113.5
152	A	32.5	Very low	37.9	Very low	84 Å²	84	120.6 Å²	120.6	69%	0.694	79%	0.794	S	S	*	*			trans	-140.7	175.4	176.1	0	0	0	0	0	109.1
153	P	46.5	Very low	38.3	Very low	130 Å²	130	119 Å²	119	84%	0.844	79%	0.793	S	S	*	*			cis	-125.6	-143.8	39.4	28.6	-2.3	0	0	0	112.1
154	A	30.3	Very low	38.1	Very low	98 Å²	98	115.4 Å²	115.4	81%	0.81	79%	0.789	S	S	*	*			cis	-159.6	-160.6	11.7	0	0	0	0	0	113.6
155	G	25.4	Very low	37.5	Very low	68 Å²	68	114.7 Å²	114.7	70%	0.701	79%	0.793	S	S	*	*			trans	-137.7	-148.4	175.6	0	0	0	0	0	112
156	P	51.7	Low	37	Very low	125 Å²	125	113.5 Å²	113.5	81%	0.812	79%	0.787	S	S	*	*			cis	-144.1	175	6.4	44.1	-26.3	0	0	0	118.1
157	A	32.6	Very low	36.2	Very low	91 Å²	91	114.4 Å²	114.4	75%	0.752	79%	0.791	S	S	*	*			trans	63.9	156.1	154.8	0	0	0	0	0	118.6
158	V	32.8	Very low	35.7	Very low	146 Å²	146	114.2 Å²	114.2	89%	0.885	79%	0.792	S	S	*	*			cis	-146.7	-175.9	8.2	-133.1	0	0	0	0	107.8
159	A	28.8	Very low	35.1	Very low	94 Å²	94	113.1 Å²	113.1	78%	0.777	79%	0.793	S	S	*	*			cis	-158	-162.3	0.3	0	0	0	0	0	110.1
160	A	33.2	Very low	34.7	Very low	92 Å²	92	114.7 Å²	114.7	76%	0.76	79%	0.794	S	S	*	*			trans	-143.8	177.4	171.1	0	0	0	0	0	108.7
161	P	44.4	Very low	34.5	Very low	128 Å²	128	118.8 Å²	118.8	83%	0.831	80%	0.798	S	S	*	*			cis	-144.3	-161.9	32.9	44.1	-21.8	0	0	0	117.1
162	L	34.5	Very low	34.4	Very low	160 Å²	160	114.5 Å²	114.5	84%	0.838	78%	0.779	S	S	*	*			trans	-81.7	170.6	-179.1	-55.2	165.4	0	0	0	113.6
163	P	41.7	Very low	34.4	Very low	132 Å²	132	119.3 Å²	119.3	86%	0.857	79%	0.785	S	S	*	*				-144.9	-170.4	88.7	39.9	-22.9	0	0	0	115.4
164	A	33.1	Very low	33.7	Very low	98 Å²	98	118.2 Å²	118.2	81%	0.81	78%	0.78	S	S	*	*			trans	-147.9	-171.7	-177.1	0	0	0	0	0	113.3
165	A	31.7	Very low	34.4	Very low	103 Å²	103	118.9 Å²	118.9	85%	0.851	78%	0.776	S	S	*	*			trans	78.8	153.6	-170.5	0	0	0	0	0	114.4
166	S	29	Very low	34.6	Very low	101 Å²	101	124 Å²	124	71%	0.706	79%	0.787	S	S	*	*			cis	-138.7	147.7	21.8	26	0	0	0	0	112
167	T	32.3	Very low	33.5	Very low	132 Å²	132	124.2 Å²	124.2	81%	0.81	79%	0.786	S	S	*	*				50.4	141.4	77.4	71.8	0	0	0	0	115.3
168	S	34.4	Very low	33.5	Very low	115 Å²	115	126.4 Å²	126.4	80%	0.804	79%	0.789	S	S	*	*			cis	-160.2	-171.3	-0.5	43.1	0	0	0	0	108
169	A	33.8	Very low	33.2	Very low	85 Å²	85	125 Å²	125	70%	0.702	79%	0.786	S	S	*	*			cis	-152.9	168.1	13.1	0	0	0	0	0	108.8
170	L	35.8	Very low	33.2	Very low	146 Å²	146	125.1 Å²	125.1	76%	0.764	79%	0.787	S	S	*	*			cis	93.9	89.8	19.9	-81.8	177.2	0	0	0	118.8
171	F	27.2	Very low	32.9	Very low	195 Å²	195	125.9 Å²	125.9	86%	0.855	79%	0.793	S	S	*	*			trans	-158.9	140.2	150	-82.7	-67.3	0	0	0	107.2
172	T	30.3	Very low	32.1	Very low	82 Å²	82	123.4 Å²	123.4	50%	0.503	79%	0.791	S	S	.	*			cis	78.2	140.9	4.5	85.7	0	0	0	0	116.9
173	F	32	Very low	32.9	Very low	185 Å²	185	121.9 Å²	121.9	81%	0.811	79%	0.791	S	S	*	*			cis	-129.1	-163	6.8	-69.9	-83.2	0	0	0	110.6
174	S	32	Very low	32.2	Very low	106 Å²	106	125.4 Å²	125.4	74%	0.741	79%	0.793	S	S	*	*			cis	-162.9	158.7	9.3	-147.2	0	0	0	0	112.8
175	P	45.7	Very low	31.9	Very low	113 Å²	113	129.1 Å²	129.1	73%	0.734	79%	0.793	S	S	*	*			trans	-101.6	-178.4	176.3	40.5	-35.1	0	0	0	114.3
176	L	29.3	Very low	31.8	Very low	176 Å²	176	133.9 Å²	133.9	92%	0.921	79%	0.794	S	S	*	*			trans	-135.1	143	173.9	-74.8	175.8	0	0	0	114.8
177	T	29.8	Very low	31.6	Very low	129 Å²	129	132.7 Å²	132.7	79%	0.791	80%	0.798	S	S	*	*			trans	-111.1	179.3	166.3	53.7	0	0	0	0	108.6
178	V	31	Very low	31.4	Very low	136 Å²	136	135 Å²	135	82%	0.824	80%	0.8	S	S	*	*			cis	-138.1	-163.6	16.6	-127.6	0	0	0	0	108.4
179	S	26.6	Very low	31	Very low	117 Å²	117	137.2 Å²	137.2	82%	0.818	80%	0.795	S	S	*	*			cis	-152.3	-165.8	18.5	-160.7	0	0	0	0	111.3
180	A	30.3	Very low	30.7	Very low	97 Å²	97	140.1 Å²	140.1	80%	0.802	79%	0.793	S	S	*	*			trans	-136.5	155.6	-173.3	0	0	0	0	0	115.4
181	A	26.9	Very low	30.2	Very low	107 Å²	107	143.3 Å²	143.3	88%	0.884	80%	0.795	S	S	*	*			trans	-154.3	153.2	163.6	0	0	0	0	0	111.8
182	G	27.5	Very low	30.3	Very low	76 Å²	76	141.2 Å²	141.2	78%	0.784	79%	0.788	S	S	*	*			trans	-96.9	178.5	-172.8	0	0	0	0	0	116.9
183	P	50.5	Low	30.2	Very low	128 Å²	128	146.6 Å²	146.6	83%	0.831	80%	0.804	S	S	*	*			trans	-108.6	158.3	-151.6	39.2	-36	0	0	0	117.1
184	K	26.3	Very low	30	Very low	206 Å²	206	146.7 Å²	146.7	90%	0.896	81%	0.807	S	S	*	*			trans	-147.1	115.1	162.7	-70.1	-169.2	-179.3	174.8	0	115.2
185	H	28.8	Very low	29.9	Very low	176 Å²	176	150 Å²	150	82%	0.815	81%	0.81	S	S	*	*			trans	24.1	140.4	142.8	-84.8	-60.8	0	0	0	125.2
186	K	28.1	Very low	29.2	Very low	203 Å²	203	152.4 Å²	152.4	88%	0.883	81%	0.812	S	S	*	*			trans	73.3	156.1	152.6	-65	168.1	-177.7	178.7	0	116
187	G	26	Very low	29.2	Very low	76 Å²	76	152.2 Å²	152.2	78%	0.784	81%	0.806	S	S	*	*			cis	-174.7	169.9	-1.2	0	0	0	0	0	112.8
188	H	26.9	Very low	29.1	Very low	182 Å²	182	158.1 Å²	158.1	84%	0.843	81%	0.813	S	S	*	*			trans	-102.4	133.9	-163.5	-178.4	-59	0	0	0	114.6
189	K	25.6	Very low	28.9	Very low	161 Å²	161	155.1 Å²	155.1	70%	0.7	81%	0.809	S	S	*	*			trans	163	133	150.6	-95.8	174.1	178.7	-82.9	0	110.1
190	E	27.9	Very low	29	Very low	145 Å²	145	154.5 Å²	154.5	68%	0.678	81%	0.805	S	S	*	*				85.9	161	63.3	-165.8	-173.9	-138.3	0	0	112.8
191	R	25.8	Very low	29	Very low	213 Å²	213	157.5 Å²	157.5	80%	0.804	81%	0.808	S	S	*	*			trans	89.2	145.1	179.6	-50.1	-170.5	100.6	-156	-0.3	114.6
192	H	28.7	Very low	29	Very low	151 Å²	151	156.2 Å²	156.2	70%	0.699	81%	0.805	S	S	*	*			cis	-158.1	164.6	-19.1	-124.3	-78.3	0	0	0	111.2
193	K	28.1	Very low	28.9	Very low	195 Å²	195	160 Å²	160	85%	0.848	81%	0.808	S	S	*	*			trans	-70.2	152.8	164.9	-63.7	-177.6	176.1	-174.2	0	112.3
194	H	29.2	Very low	29.1	Very low	188 Å²	188	158.7 Å²	158.7	87%	0.87	80%	0.799	S	S	*	*			trans	-100.2	173.3	164.6	-91.1	-100.2	0	0	0	112.7
195	H	29.1	Very low	29	Very low	175 Å²	175	154.5 Å²	154.5	81%	0.81	80%	0.796	S	S	*	*			trans	-133.5	-178.4	-165	-126.6	-11.4	0	0	0	111.9
196	H	30.8	Very low	28.9	Very low	164 Å²	164	151.3 Å²	151.3	76%	0.759	79%	0.793	S	S	*	*			trans	113.4	153.1	168.3	-60.6	-43.9	0	0	0	115.7
197	H	30.4	Very low	28.6	Very low	172 Å²	172	147.6 Å²	147.6	80%	0.796	79%	0.791	S	S	*	*			cis	-168.5	124.5	-46.2	-124.7	-28.6	0	0	0	110.5
198	R	27	Very low	28.6	Very low	253 Å²	253	146.6 Å²	146.6	96%	0.955	78%	0.781	S	S	*	*			trans	-178.6	157.3	161.1	-107	176.7	179.2	-162.5	-1	107.4
199	G	27	Very low	28.5	Very low	72 Å²	72	144.5 Å²	144.5	74%	0.742	78%	0.781	S	S	*	*			cis	-172.5	150.7	-6.9	0	0	0	0	0	108.5
200	S	28.2	Very low	28.5	Very low	105 Å²	105	143.3 Å²	143.3	73%	0.734	78%	0.783	S	S	*	*			trans	-74.8	150.7	-170.6	-176.5	0	0	0	0	114.2
201	D	29.6	Very low	28.5	Very low	159 Å²	159	143 Å²	143	85%	0.85	79%	0.785	S	S	*	*				166.1	149.8	115.2	-79.7	-16.8	0	0	0	113.8
202	G	27	Very low	28.6	Very low	81 Å²	81	142 Å²	142	84%	0.835	79%	0.786	S	S	*	*			trans	122.5	115.7	166.2	0	0	0	0	0	116.9
203	D	25.6	Very low	28.7	Very low	155 Å²	155	142 Å²	142	83%	0.829	79%	0.786	S	S	*	*			trans	-150	176.4	-177.8	-155.1	41.9	0	0	0	107.9
204	P	54.5	Low	28.7	Very low	101 Å²	101	140.1 Å²	140.1	66%	0.656	78%	0.778	S	S	*	*			cis	-124.1	-154.3	-48.9	35	-17.9	0	0	0	112.9
205	S	25.5	Very low	28.8	Very low	118 Å²	118	136.3 Å²	136.3	83%	0.825	76%	0.764	S	S	*	*			trans	96.1	152.9	162.2	86	0	0	0	0	117.1
206	S	25.5	Very low	28.9	Very low	109 Å²	109	135 Å²	135	76%	0.762	76%	0.756	S	S	*	*			cis	-142.7	-164.7	10.2	72.4	0	0	0	0	114.5
207	C	23	Very low	28.8	Very low	124 Å²	124	133.6 Å²	133.6	84%	0.838	75%	0.75	S	S	*	*			trans	-77	174.4	-172.1	54.5	0	0	0	0	114.5
208	G	24.8	Very low	28.6	Very low	55 Å²	55	131.6 Å²	131.6	57%	0.567	74%	0.741	S	S	*	*			cis	158.8	-174.1	-3.3	0	0	0	0	0	112
209	T	24.8	Very low	28.7	Very low	138 Å²	138	126.4 Å²	126.4	85%	0.847	73%	0.732	S	S	*	*			trans	61.8	156.5	173	45.1	0	0	0	0	117.1
210	D	26.8	Very low	28.8	Very low	137 Å²	137	126.1 Å²	126.1	73%	0.733	73%	0.729	S	S	*	*			cis	-147.5	177	6.9	-140.9	-20.2	0	0	0	115.4
211	L	28	Very low	28.9	Very low	137 Å²	137	128.4 Å²	128.4	72%	0.717	73%	0.728	S	S	*	*			trans	-68.3	147.4	-174.5	-60.6	153.1	0	0	0	116.9
212	K	27.8	Very low	28.9	Very low	192 Å²	192	131 Å²	131	84%	0.835	73%	0.726	S	S	*	*				174.5	123.2	116.6	-95.2	162.9	-175.2	171.6	0	113
213	H	31	Very low	29	Very low	152 Å²	152	133.3 Å²	133.3	70%	0.704	72%	0.724	S	S	*	*				69.6	117.6	97.1	-84.4	-121.2	0	0	0	115.2
214	K	27.2	Very low	29.1	Very low	155 Å²	155	129.6 Å²	129.6	67%	0.674	72%	0.723	S	S	*	*				68.4	141.2	88.9	-75.8	-176.8	124.2	-90.3	0	112.5
215	D	30.5	Very low	27.7	Very low	109 Å²	109	128.5 Å²	128.5	58%	0.583	73%	0.73	S	S	*	*			cis	-158.7	-179.5	16.8	-118.6	7.1	0	0	0	107.5
216	K	31.4	Very low	28	Very low	146 Å²	146	129.6 Å²	129.6	64%	0.635	73%	0.731	S	S	*	*			cis	-169	162.6	3.7	-133.1	177.3	156.8	-146.4	0	109.8
217	Q	29.9	Very low	28.9	Very low	135 Å²	135	130 Å²	130	63%	0.631	73%	0.731	S	S	*	*			trans	59.4	159	146.3	-78.2	-178	-78.4	0	0	121.6
218	E	26.6	Very low	29.3	Very low	131 Å²	131	131 Å²	131	61%	0.612	73%	0.728	S	S	*	*			cis	-169.3	156.5	-31.7	-145.1	-178.6	125.4	0	0	110.4
219	N	28.6	Very low	29.6	Very low	143 Å²	143	136.3 Å²	136.3	77%	0.765	74%	0.741	S	S	*	*			trans	59.5	159.7	159.7	-64.6	-30.7	0	0	0	119.9
220	G	28	Very low	29.8	Very low	66 Å²	66	138.2 Å²	138.2	68%	0.68	74%	0.738	S	S	*	*			cis	176.8	124.5	-10.2	0	0	0	0	0	114.7
221	E	30.2	Very low	29.8	Very low	154 Å²	154	136.1 Å²	136.1	72%	0.72	74%	0.739	S	S	*	*			trans	34.9	132.8	140.8	-135.1	-176.7	-126.6	0	0	123.8
222	R	31.2	Very low	30.7	Very low	212 Å²	212	135.3 Å²	135.3	80%	0.8	74%	0.742	S	S	*	*			trans	115.4	156.9	140.1	-62.6	-169.7	-174.1	-162.5	-3.9	117.8
223	T	29	Very low	30.6	Very low	130 Å²	130	136.3 Å²	136.3	80%	0.798	75%	0.747	S	S	*	*			cis	-164.6	152.6	-36.6	-80.1	0	0	0	0	106.2
224	G	27.9	Very low	30.5	Very low	78 Å²	78	140.5 Å²	140.5	80%	0.804	76%	0.756	S	S	*	*			trans	-89.9	168.2	-173.6	0	0	0	0	0	117.1
225	G	25.1	Very low	30.6	Very low	77 Å²	77	141.7 Å²	141.7	79%	0.794	76%	0.764	S	S	*	*			trans	-180	146.5	173.8	0	0	0	0	0	114.4
226	V	31.5	Very low	30.7	Very low	142 Å²	142	143.2 Å²	143.2	86%	0.861	78%	0.777	S	S	*	*			trans	-157.7	134.7	-172.2	178.6	0	0	0	0	106.4
227	P	44	Very low	31.2	Very low	116 Å²	116	141 Å²	141	75%	0.753	78%	0.778	S	S	*	*				-155.9	162.6	64.6	43.1	-21.9	0	0	0	121.1
228	L	31.6	Very low	31.3	Very low	147 Å²	147	141.4 Å²	141.4	77%	0.77	79%	0.785	S	S	*	*			trans	20.4	130.6	136.7	-166.3	73.1	0	0	0	122.7
229	I	30.7	Very low	31.6	Very low	166 Å²	166	143.4 Å²	143.4	85%	0.851	79%	0.794	S	S	*	*			trans	-164.9	179.1	131.4	-102	159.5	0	0	0	110.6
230	K	28.3	Very low	31.6	Very low	177 Å²	177	143.6 Å²	143.6	77%	0.77	80%	0.795	S	S	*	*			trans	-118.1	144.7	-145.6	-51.9	172.1	-179.6	173	0	118.1
231	A	27.8	Very low	31.9	Very low	93 Å²	93	143.6 Å²	143.6	77%	0.769	80%	0.795	S	S	*	*			trans	68	174.4	132.5	0	0	0	0	0	120.8
232	P	46.4	Very low	32	Very low	120 Å²	120	146.2 Å²	146.2	78%	0.779	80%	0.804	S	S	*	*			cis	-137.9	171.1	-45.8	36.5	-20.7	0	0	0	115.4
233	K	26.6	Very low	32.1	Very low	213 Å²	213	143 Å²	143	93%	0.926	81%	0.808	S	S	*	*			trans	-174.9	161.8	155.2	-109.5	174.1	-177.6	-179.9	0	110.5
234	R	27.2	Very low	32.4	Very low	241 Å²	241	143.8 Å²	143.8	91%	0.909	80%	0.803	S	S	*	*				-154.5	156.6	-60.9	-159.4	179.1	-169	-177.8	4.2	107.6
235	E	30.8	Very low	33.2	Very low	179 Å²	179	149.8 Å²	149.8	84%	0.836	80%	0.801	S	S	*	*			trans	-94.7	165.5	-171.5	-55.2	154.8	133.6	0	0	114.4
236	T	32.9	Very low	34.2	Very low	141 Å²	141	150.1 Å²	150.1	87%	0.865	80%	0.797	S	S	*	*			trans	-145.1	154.3	146.8	30.9	0	0	0	0	109.9
237	P	40.4	Very low	35	Very low	100 Å²	100	148.3 Å²	148.3	65%	0.649	78%	0.782	S	S	*	*			trans	-134.7	-147.1	-142.2	34.5	-10.3	0	0	0	115.1
238	D	33.5	Very low	35	Very low	144 Å²	144	146 Å²	146	77%	0.77	76%	0.763	S	S	*	*			trans	92.4	133.1	163.9	-52.2	-24.5	0	0	0	117.1
239	E	31.5	Very low	35.7	Very low	173 Å²	173	146.2 Å²	146.2	81%	0.808	76%	0.758	S	S	*	*			cis	-155.6	-176.3	-3.5	-138.6	-115.3	101.5	0	0	112.8
240	N	30	Very low	36.8	Very low	146 Å²	146	142.3 Å²	142.3	78%	0.781	74%	0.742	S	S	*	*			trans	64.2	87.1	169.8	-163.6	5.4	0	0	0	117.6
241	G	32.7	Very low	38	Very low	66 Å²	66	140 Å²	140	68%	0.68	74%	0.737	S	S	*	*			trans	-106.6	167.4	-178.8	0	0	0	0	0	116.3
242	K	32.4	Very low	39	Very low	210 Å²	210	140.9 Å²	140.9	91%	0.913	72%	0.724	S	S	*	*			trans	-158	111.4	153.8	-115.2	158.2	-169.1	164.2	0	112.5
243	T	34.5	Very low	39.3	Very low	145 Å²	145	143 Å²	143	89%	0.89	72%	0.721	S	S	*	*	P	Polyproline II helix	trans	-71.2	124.9	178.7	-41	0	0	0	0	111.2
244	Q	35.1	Very low	40.6	Very low	146 Å²	146	138.1 Å²	138.1	68%	0.682	70%	0.704	S	S	*	*	P	Polyproline II helix	trans	-100.3	126.3	166.2	-74.3	-170.6	-4.6	0	0	110.6
245	R	43.9	Very low	41.5	Very low	203 Å²	203	134.9 Å²	134.9	77%	0.766	70%	0.696	S	S	*	*	P	Polyproline II helix	trans	-69.9	158.6	172.7	-83.4	-172.5	173.5	-175.9	-0.1	111.5	D247	R245-D247 PolarHBondContact O-N 3.46Å; R245-D247 VanDerWaalsContact O-N 3.15Å
246	A	47	Very low	42.2	Very low	85 Å²	85	134.5 Å²	134.5	70%	0.702	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.1	-18.4	-178.6	0	0	0	0	0	114.9	D248 F249	A246-D248 PolarHBondContact O-N 2.94Å; A246-F249 PolarHBondContact O-N 3.43Å
247	D	47.2	Very low	43	Very low	104 Å²	104	136.1 Å²	136.1	56%	0.556	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.7	-27.9	-173.8	-52.5	-60.2	0	0	0	113.5	R245 F249 V250	R245-D247 PolarHBondContact O-N 3.46Å; R245-D247 VanDerWaalsContact O-N 3.15Å; D247-F249 PolarHBondContact O-N 3.22Å; D247-V250 PolarHBondContact O-N 2.87Å
248	D	44.1	Very low	43.2	Very low	66 Å²	66	140 Å²	140	35%	0.353	69%	0.694	S	S	.	*	H	α-helix	trans	-64.9	-23.8	-175.1	-139.6	-36.7	0	0	0	113.2	A246 K252	A246-D248 PolarHBondContact O-N 2.94Å; D248-K252 VanDerWaalsContact CG-NZ 3.27Å; D248-K252 WeakPolarHBondContact O-CD 3.33Å; D248-K252 WeakPolarHBondContact O-CG 3.24Å; D248-K252 PolarHBondContact O-N 3.36Å; D248-K252 IonicContact OD1-NZ 3.6Å; D248-K252 PolarHBondContact OD1-NZ 3.33Å; D248-K252 IonicContact OD2-NZ 3.59Å
249	F	45.8	Very low	43.9	Very low	152 Å²	152	141.9 Å²	141.9	67%	0.667	70%	0.695	S	S	*	*	H	α-helix	trans	-74.7	-24.5	177.9	-86.5	-91.7	0	0	0	113.9	A246 D247 K253	A246-F249 PolarHBondContact O-N 3.43Å; D247-F249 PolarHBondContact O-N 3.22Å; F249-K253 PolarHBondContact O-N 2.93Å
250	V	54.9	Low	44.5	Very low	85 Å²	85	139.4 Å²	139.4	52%	0.515	68%	0.682	S	S	.	*	H	α-helix	trans	-75.3	-49.2	-177.8	-176.9	0	0	0	0	110.5	D247 K252 K253 I254	D247-V250 PolarHBondContact O-N 2.87Å; V250-K252 VanDerWaalsContact C-N 3.32Å; V250-K252 PolarHBondContact O-N 2.87Å; V250-K253 PolarHBondContact O-N 2.84Å; V250-K253 VanDerWaalsContact O-N 3.15Å; V250-I254 HydrophobicContact CG1-CD1 4.23Å; V250-I254 PolarHBondContact O-N 3.04Å; V250-I254 VanDerWaalsContact O-N 3.09Å
251	L	53	Low	45.2	Very low	127 Å²	127	141.2 Å²	141.2	67%	0.665	68%	0.683	S	S	*	*	H	α-helix	trans	-63.6	-37.4	177.2	-86.2	68.3	0	0	0	111.7	K253 I254 K255	L251-K253 PolarHBondContact O-N 3.1Å; L251-I254 PolarHBondContact O-N 3.04Å; L251-K255 WeakPolarHBondContact O-CB 3.42Å; L251-K255 PolarHBondContact O-N 2.83Å
252	K	50.2	Low	45.7	Very low	112 Å²	112	146.2 Å²	146.2	49%	0.487	69%	0.688	S	S	.	*	H	α-helix	trans	-61.7	-39.8	173.4	-78.3	169.6	178.3	123.4	0	112.3	D248 V250 K256	D248-K252 VanDerWaalsContact CG-NZ 3.27Å; D248-K252 WeakPolarHBondContact O-CD 3.33Å; D248-K252 WeakPolarHBondContact O-CG 3.24Å; D248-K252 PolarHBondContact O-N 3.36Å; D248-K252 IonicContact OD1-NZ 3.6Å; D248-K252 PolarHBondContact OD1-NZ 3.33Å; D248-K252 IonicContact OD2-NZ 3.59Å; V250-K252 VanDerWaalsContact C-N 3.32Å; V250-K252 PolarHBondContact O-N 2.87Å; K252-K256 VanDerWaalsContact O-CB 3.27Å; K252-K256 WeakPolarHBondContact O-CB 3.44Å; K252-K256 PolarHBondContact O-N 2.97Å; K252-K256 VanDerWaalsContact O-N 3.09Å
253	K	51.3	Low	46.1	Very low	165 Å²	165	147 Å²	147	72%	0.717	69%	0.685	S	S	*	*	H	α-helix	trans	-63.9	-44.2	173.2	-86.1	-176.1	176.6	175.2	0	112.4	F249 V250 L251 K257	F249-K253 PolarHBondContact O-N 2.93Å; V250-K253 PolarHBondContact O-N 2.84Å; V250-K253 VanDerWaalsContact O-N 3.15Å; L251-K253 PolarHBondContact O-N 3.1Å; K253-K257 WeakPolarHBondContact O-CB 3.45Å; K253-K257 PolarHBondContact O-N 3.09Å
254	I	53.9	Low	46.2	Very low	111 Å²	111	146 Å²	146	57%	0.569	67%	0.67	S	S	*	*	H	α-helix	trans	-67.8	-45.9	-179.3	-63.9	170.6	0	0	0	111.3	V250 L251 K256 K257 K258	V250-I254 HydrophobicContact CG1-CD1 4.23Å; V250-I254 PolarHBondContact O-N 3.04Å; V250-I254 VanDerWaalsContact O-N 3.09Å; L251-I254 PolarHBondContact O-N 3.04Å; I254-K256 VanDerWaalsContact C-N 3.35Å; I254-K256 PolarHBondContact O-N 2.86Å; I254-K257 WeakPolarHBondContact O-CB 3.46Å; I254-K257 PolarHBondContact O-N 3.47Å; I254-K257 VanDerWaalsContact O-N 3.1Å; I254-K258 PolarHBondContact O-N 2.97Å
255	K	46.9	Very low	46.6	Very low	172 Å²	172	145.8 Å²	145.8	75%	0.748	67%	0.674	S	S	*	*	H	α-helix	trans	-65.5	-35.4	180	-155.7	164.2	-174.2	171.7	0	112.1	L251 K259	L251-K255 WeakPolarHBondContact O-CB 3.42Å; L251-K255 PolarHBondContact O-N 2.83Å; K255-K259 PolarHBondContact O-N 3.37Å
256	K	45.7	Very low	46.7	Very low	171 Å²	171	144.7 Å²	144.7	74%	0.743	68%	0.68	S	S	*	*	H	α-helix	trans	-68.4	-34.2	171.9	-163.8	170	-174.6	175.4	0	112.4	K252 I254 K260	K252-K256 VanDerWaalsContact O-CB 3.27Å; K252-K256 WeakPolarHBondContact O-CB 3.44Å; K252-K256 PolarHBondContact O-N 2.97Å; K252-K256 VanDerWaalsContact O-N 3.09Å; I254-K256 VanDerWaalsContact C-N 3.35Å; I254-K256 PolarHBondContact O-N 2.86Å; K256-K260 PolarHBondContact O-N 3.25Å
257	K	48.4	Very low	46.2	Very low	176 Å²	176	150.1 Å²	150.1	77%	0.765	68%	0.682	S	S	*	*	H	α-helix	trans	-69.8	-35.8	176.1	-160.5	171.9	-178.5	-177.8	0	112.6	K253 I254	K253-K257 WeakPolarHBondContact O-CB 3.45Å; K253-K257 PolarHBondContact O-N 3.09Å; I254-K257 WeakPolarHBondContact O-CB 3.46Å; I254-K257 PolarHBondContact O-N 3.47Å; I254-K257 VanDerWaalsContact O-N 3.1Å
258	K	46.1	Very low	46.1	Very low	182 Å²	182	149.1 Å²	149.1	79%	0.791	70%	0.696	S	S	*	*	H	α-helix	trans	-77.5	-37.2	175	-157.2	168.7	-175.7	177.5	0	113.1	I254	I254-K258 PolarHBondContact O-N 2.97Å
259	K	46.5	Very low	45.9	Very low	182 Å²	182	156 Å²	156	79%	0.791	72%	0.717	S	S	*	*	H	α-helix	trans	-77.6	-14.7	178.5	-165.2	163.1	-176.3	172.2	0	114.8	K255	K255-K259 PolarHBondContact O-N 3.37Å
260	K	44.2	Very low	45.4	Very low	122 Å²	122	159.2 Å²	159.2	53%	0.53	73%	0.725	S	S	.	*	H	α-helix	trans	-74.3	-36.7	170.5	-175.7	170	176.6	-177.6	0	112.4	K256 H262 R263 E264	K256-K260 PolarHBondContact O-N 3.25Å; K260-H262 PolarHBondContact O-N 2.91Å; K260-R263 PolarHBondContact O-N 3.34Å; K260-E264 WeakPolarHBondContact CE-OE1 3.3Å; K260-E264 WeakPolarHBondContact CE-OE2 3.31Å; K260-E264 IonicContact NZ-OE1 2.74Å; K260-E264 PolarHBondContact NZ-OE1 3.16Å; K260-E264 IonicContact NZ-OE2 3.19Å; K260-E264 PolarHBondContact NZ-OE2 3.43Å
261	K	45.3	Very low	44.3	Very low	184 Å²	184	162.1 Å²	162.1	80%	0.8	74%	0.737	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.4	11.5	-173.2	-113.6	-156.5	176.7	-154.9	0	116.4
262	H	43.7	Very low	43.6	Very low	170 Å²	170	163.2 Å²	163.2	79%	0.787	74%	0.736	S	S	*	*	T	Hydrogen-bonded Turn	trans	-140.7	31.5	176.7	-157.5	-64.9	0	0	0	111.6	K260	K260-H262 PolarHBondContact O-N 2.91Å
263	R	41	Very low	42.8	Very low	227 Å²	227	164.2 Å²	164.2	86%	0.857	74%	0.744	S	S	*	*	S	Bend	trans	-140.2	13.9	174.5	-147.3	-171.1	179.7	-177.5	1.2	114.5	K260	K260-R263 PolarHBondContact O-N 3.34Å
264	E	36.4	Very low	41.8	Very low	125 Å²	125	165.8 Å²	165.8	58%	0.584	75%	0.747	S	S	*	*	S	Bend	trans	-110.9	-22.2	174.3	-73.9	178.8	152.4	0	0	112.8	K260 M266	K260-E264 WeakPolarHBondContact CE-OE1 3.3Å; K260-E264 WeakPolarHBondContact CE-OE2 3.31Å; K260-E264 IonicContact NZ-OE1 2.74Å; K260-E264 PolarHBondContact NZ-OE1 3.16Å; K260-E264 IonicContact NZ-OE2 3.19Å; K260-E264 PolarHBondContact NZ-OE2 3.43Å; E264-M266 PolarHBondContact O-N 3.17Å
265	D	43.3	Very low	40.9	Very low	140 Å²	140	165.1 Å²	165.1	75%	0.749	74%	0.744	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79	-5.1	-177.7	-56.1	-49.9	0	0	0	116
266	M	44.9	Very low	40.5	Very low	181 Å²	181	166.9 Å²	166.9	89%	0.892	75%	0.752	S	S	*	*	T	Hydrogen-bonded Turn	trans	-128.6	44.8	-178.8	-80.3	-68.9	169	0	0	113.5	E264	E264-M266 PolarHBondContact O-N 3.17Å
267	R	37.6	Very low	40.1	Very low	199 Å²	199	164 Å²	164	75%	0.751	74%	0.741	S	S	*	*			trans	-144.9	80.9	158.2	-82.6	-159.2	171.4	-159.8	-4.8	111.6	R269	R267-R269 VanDerWaalsContact C-N 3.32Å; R267-R269 PolarHBondContact O-N 3.22Å
268	G	44.7	Very low	39.7	Very low	83 Å²	83	162.3 Å²	162.3	86%	0.856	75%	0.745	S	S	*	*			trans	-61.7	87.6	167.3	0	0	0	0	0	111.9	R270	G268-R270 VanDerWaalsContact C-N 3.33Å; G268-R270 PolarHBondContact O-N 2.88Å
269	R	39.2	Very low	39.1	Very low	210 Å²	210	160.2 Å²	160.2	79%	0.792	74%	0.738	S	S	*	*			trans	-75.9	86	171.5	-69.6	-170.1	-169.8	-116.6	10.9	109.2	R267 L271	R267-R269 VanDerWaalsContact C-N 3.32Å; R267-R269 PolarHBondContact O-N 3.22Å; R269-L271 PolarHBondContact O-N 3.03Å
270	R	35.4	Very low	38.6	Very low	220 Å²	220	157.3 Å²	157.3	83%	0.83	74%	0.736	S	S	*	*			trans	-48.6	108.6	163.2	174.3	177.8	170.7	-176.1	-0.9	108.6	G268 K272	G268-R270 VanDerWaalsContact C-N 3.33Å; G268-R270 PolarHBondContact O-N 2.88Å; R270-K272 PolarHBondContact O-N 3.44Å
271	L	32.1	Very low	38.2	Very low	146 Å²	146	157.7 Å²	157.7	76%	0.764	75%	0.749	S	S	*	*			trans	-69.7	105.2	179.8	-160.2	75	0	0	0	107.8	R269 M273	R269-L271 PolarHBondContact O-N 3.03Å; L271-M273 HydrophobicContact CD2-CG 4.28Å; L271-M273 PolarHBondContact O-N 3.35Å
272	K	38.2	Very low	37.7	Very low	149 Å²	149	154.3 Å²	154.3	65%	0.648	75%	0.746	S	S	*	*			trans	-74.3	82.8	172.6	-80	-168	173	-172.3	0	109	R270 Y274	R270-K272 PolarHBondContact O-N 3.44Å; K272-Y274 PolarHBondContact O-N 2.93Å
273	M	33.8	Very low	37.6	Very low	134 Å²	134	150.5 Å²	150.5	66%	0.66	75%	0.745	S	S	*	*			trans	-64.8	112	160.4	-56.7	-157.4	-49.1	0	0	107.5	L271 N275	L271-M273 HydrophobicContact CD2-CG 4.28Å; L271-M273 PolarHBondContact O-N 3.35Å; M273-N275 PolarHBondContact O-N 2.99Å
274	Y	31.5	Very low	37.2	Very low	198 Å²	198	142.4 Å²	142.4	78%	0.776	73%	0.731	S	S	*	*			trans	-83.7	74	161.6	-83.9	-76.7	0	0	0	108	K272 K276	K272-Y274 PolarHBondContact O-N 2.93Å; Y274-K276 PolarHBondContact O-N 2.63Å; Y274-K276 VanDerWaalsContact O-N 3.14Å
275	N	33.8	Very low	37.1	Very low	97 Å²	97	140.5 Å²	140.5	52%	0.519	73%	0.725	S	S	.	*			trans	-59.8	115.4	158	-83.7	-1	0	0	0	107.3	M273 E277	M273-N275 PolarHBondContact O-N 2.99Å; N275-E277 HydrophobicContact CB-CG 4.04Å; N275-E277 VanDerWaalsContact CB-OE1 3.26Å; N275-E277 WeakPolarHBondContact CB-OE1 3.48Å; N275-E277 PolarHBondContact ND2-OE1 3.48Å; N275-E277 PolarHBondContact O-N 3.34Å
276	K	38.6	Very low	36.7	Very low	208 Å²	208	139.2 Å²	139.2	90%	0.904	72%	0.723	S	S	*	*			trans	-81.1	78	149.2	-81.9	-173.1	171.3	-174.7	0	106.5	Y274 V278	Y274-K276 PolarHBondContact O-N 2.63Å; Y274-K276 VanDerWaalsContact O-N 3.14Å; K276-V278 PolarHBondContact O-N 3.23Å
277	E	38	Very low	36.2	Very low	111 Å²	111	141.9 Å²	141.9	52%	0.519	72%	0.722	S	S	.	*			trans	-55.8	126.6	166.4	-82.4	137.3	-139.3	0	0	108.7	N275 Q279	N275-E277 HydrophobicContact CB-CG 4.04Å; N275-E277 VanDerWaalsContact CB-OE1 3.26Å; N275-E277 WeakPolarHBondContact CB-OE1 3.48Å; N275-E277 PolarHBondContact ND2-OE1 3.48Å; N275-E277 PolarHBondContact O-N 3.34Å; E277-Q279 HydrophobicContact CB-CG 3.53Å; E277-Q279 HydrophobicContact CG-CG 4.47Å; E277-Q279 PolarHBondContact O-N 2.85Å; E277-Q279 PolarHBondContact OE2-NE2 3.17Å
278	V	39.9	Very low	36.3	Very low	141 Å²	141	137.6 Å²	137.6	86%	0.855	71%	0.714	S	S	*	*			trans	-72.4	85.4	151.2	178.2	0	0	0	0	105.1	K276 T280	K276-V278 PolarHBondContact O-N 3.23Å; V278-T280 PolarHBondContact O-N 3.28Å; V278-T280 VanDerWaalsContact O-N 3.11Å
279	Q	34.2	Very low	35.6	Very low	137 Å²	137	137 Å²	137	64%	0.64	70%	0.696	S	S	*	*			trans	-68.7	108	175.5	-66.1	-171.9	-18.2	0	0	108	E277 V281	E277-Q279 HydrophobicContact CB-CG 3.53Å; E277-Q279 HydrophobicContact CG-CG 4.47Å; E277-Q279 PolarHBondContact O-N 2.85Å; E277-Q279 PolarHBondContact OE2-NE2 3.17Å; Q279-V281 VanDerWaalsContact O-CG2 3.32Å; Q279-V281 WeakPolarHBondContact O-CG2 3.44Å; Q279-V281 PolarHBondContact O-N 3.1Å
280	T	35.4	Very low	35.4	Very low	122 Å²	122	136.5 Å²	136.5	75%	0.748	70%	0.7	S	S	*	*			trans	-61.4	117	160.9	33.5	0	0	0	0	107.6	V278 C282	V278-T280 PolarHBondContact O-N 3.28Å; V278-T280 VanDerWaalsContact O-N 3.11Å; T280-C282 VanDerWaalsContact C-N 3.25Å; T280-C282 PolarHBondContact O-N 3.31Å
281	V	36.3	Very low	35.3	Very low	130 Å²	130	132.8 Å²	132.8	79%	0.788	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.2	67.5	-162.6	-169.2	0	0	0	0	111.5	Q279	Q279-V281 VanDerWaalsContact O-CG2 3.32Å; Q279-V281 WeakPolarHBondContact O-CG2 3.44Å; Q279-V281 PolarHBondContact O-N 3.1Å
282	C	34.8	Very low	35.7	Very low	112 Å²	112	132 Å²	132	76%	0.757	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.6	-27.5	173.2	-58.6	0	0	0	0	112.9	T280	T280-C282 VanDerWaalsContact C-N 3.25Å; T280-C282 PolarHBondContact O-N 3.31Å
283	A	39.8	Very low	35.7	Very low	91 Å²	91	133 Å²	133	75%	0.752	70%	0.699	S	S	*	*	S	Bend	trans	-90.6	6.4	-177.8	0	0	0	0	0	115
284	G	33	Very low	35.9	Very low	56 Å²	56	132 Å²	132	58%	0.577	70%	0.7	S	S	*	*			trans	-93.7	-14.3	-164.6	0	0	0	0	0	117.6
285	L	34	Very low	36	Very low	85 Å²	85	130 Å²	130	45%	0.445	70%	0.698	S	S	.	*			trans	-90	-0.3	-165.5	-124.3	79.6	0	0	0	116.2	R287 I288 L312	L285-R287 PolarHBondContact O-N 2.8Å; L285-I288 HydrophobicContact CD2-CD1 4.13Å; L285-I288 HydrophobicContact CG-CD1 4.3Å; L285-L312 HydrophobicContact CB-CD2 4.45Å; L285-L312 HydrophobicContact CD2-CD1 3.49Å; L285-L312 VanDerWaalsContact CD2-CD1 3.49Å; L285-L312 HydrophobicContact CD2-CD2 3.58Å; L285-L312 HydrophobicContact CD2-CG 4.17Å
286	T	35.7	Very low	36.6	Very low	114 Å²	114	128 Å²	128	70%	0.699	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.8	20.1	-178.5	52.2	0	0	0	0	114.6
287	R	34.3	Very low	36.3	Very low	236 Å²	236	126.8 Å²	126.8	89%	0.891	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-129.9	34.3	176.4	-80.6	-167.2	169.1	-150	-3	113.8	L285	L285-R287 PolarHBondContact O-N 2.8Å
288	I	39.1	Very low	36.1	Very low	110 Å²	110	129.3 Å²	129.3	56%	0.564	71%	0.713	S	S	*	*	S	Bend	trans	-79.8	125.3	157.6	-59.7	179.6	0	0	0	107.3	L285 I292	L285-I288 HydrophobicContact CD2-CD1 4.13Å; L285-I288 HydrophobicContact CG-CD1 4.3Å; I288-I292 HydrophobicContact CG2-CD1 3.78Å
289	S	30.6	Very low	35.8	Very low	71 Å²	71	129.4 Å²	129.4	50%	0.497	71%	0.709	S	S	.	*			trans	-61.6	145.9	-174	-62.7	0	0	0	0	113.1	E291 I292	S289-E291 VanDerWaalsContact CB-OE2 3.24Å; S289-E291 WeakPolarHBondContact CB-OE2 3.29Å; S289-E291 PolarHBondContact O-N 2.63Å; S289-I292 PolarHBondContact O-N 2.7Å
290	K	35.6	Very low	36.3	Very low	198 Å²	198	128.5 Å²	128.5	86%	0.861	72%	0.718	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.5	-6.5	179.3	-160.9	175.5	-179.7	-178.6	0	114.4
291	E	32	Very low	36.2	Very low	142 Å²	142	129 Å²	129	66%	0.664	72%	0.721	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.6	-21.1	-173.1	-63.2	155.8	137	0	0	113.6	S289 L293 T294	S289-E291 VanDerWaalsContact CB-OE2 3.24Å; S289-E291 WeakPolarHBondContact CB-OE2 3.29Å; S289-E291 PolarHBondContact O-N 2.63Å; E291-L293 PolarHBondContact O-N 3.4Å; E291-T294 PolarHBondContact O-OG1 2.81Å; E291-T294 VanDerWaalsContact O-OG1 3.05Å
292	I	41.3	Very low	36.3	Very low	131 Å²	131	127.4 Å²	127.4	67%	0.672	72%	0.716	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.4	-19	-178.6	-58.7	-174.8	0	0	0	111.8	I288 S289	I288-I292 HydrophobicContact CG2-CD1 3.78Å; S289-I292 PolarHBondContact O-N 2.7Å
293	L	39.2	Very low	36.7	Very low	169 Å²	169	126.1 Å²	126.1	89%	0.885	72%	0.721	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.4	-0	-173.8	-132.1	134.4	0	0	0	114.2	E291	E291-L293 PolarHBondContact O-N 3.4Å
294	T	37.2	Very low	36.9	Very low	112 Å²	112	128.5 Å²	128.5	69%	0.687	72%	0.72	S	S	*	*	S	Bend	trans	-112.1	-3.6	-172	34.5	0	0	0	0	115.8	E291	E291-T294 PolarHBondContact O-OG1 2.81Å; E291-T294 VanDerWaalsContact O-OG1 3.05Å
295	Q	33.1	Very low	37.9	Very low	157 Å²	157	130.1 Å²	130.1	73%	0.734	72%	0.716	S	S	*	*			trans	-124.5	121.3	-179.9	-154.9	67.7	31.2	0	0	111.3
296	G	45.9	Very low	38.5	Very low	56 Å²	56	134.4 Å²	134.4	58%	0.577	73%	0.731	S	S	*	*			trans	-76.8	165.9	166	0	0	0	0	0	111.8
297	Q	32.5	Very low	38.8	Very low	182 Å²	182	135.6 Å²	135.6	85%	0.85	73%	0.729	S	S	*	*			trans	76.2	147.2	-157.1	-49.1	172.7	-27.9	0	0	110.8
298	I	34.7	Very low	39.2	Very low	164 Å²	164	126.7 Å²	126.7	84%	0.841	70%	0.702	S	S	*	*			cis	-134.2	167.7	23	-33	175.2	0	0	0	111
299	N	34.3	Very low	39.6	Very low	142 Å²	142	128.8 Å²	128.8	76%	0.759	71%	0.708	S	S	*	*			trans	-80.1	158	-170.9	-58.1	-43.1	0	0	0	115.6
300	S	43.9	Very low	40.5	Very low	118 Å²	118	132.1 Å²	132.1	83%	0.825	71%	0.709	S	S	*	*			trans	50.2	93.6	146	-59.1	0	0	0	0	119.6
301	T	32.9	Very low	41.1	Very low	134 Å²	134	128.6 Å²	128.6	82%	0.822	69%	0.692	S	S	*	*			trans	-154.3	139.6	149.5	-19.1	0	0	0	0	111.7
302	S	37.6	Very low	41.9	Very low	96 Å²	96	124.4 Å²	124.4	67%	0.671	67%	0.673	S	S	*	*			trans	42.3	110.4	168.3	57.1	0	0	0	0	118.7	L304	S302-L304 PolarHBondContact O-N 3.42Å
303	G	43.5	Very low	42.1	Very low	84 Å²	84	124.4 Å²	124.4	87%	0.866	67%	0.669	S	S	*	*	S	Bend	trans	-71.7	32.9	178.5	0	0	0	0	0	117.2
304	L	45.1	Very low	42.6	Very low	141 Å²	141	117.9 Å²	117.9	74%	0.738	63%	0.634	S	S	*	*			trans	-94.3	157.7	171.6	-68.3	170.8	0	0	0	110.5	S302 K306	S302-L304 PolarHBondContact O-N 3.42Å; L304-K306 PolarHBondContact O-N 3.2Å
305	N	52.7	Low	43.2	Very low	90 Å²	90	114.6 Å²	114.6	48%	0.481	61%	0.611	S	S	.	*			trans	67.8	16	170.4	-60.7	2.9	0	0	0	118.3	E307 S308 F309	N305-E307 PolarHBondContact O-N 2.92Å; N305-S308 PolarHBondContact O-N 3.48Å; N305-S308 PolarHBondContact OD1-OG 3.29Å; N305-F309 HydrophobicContact CB-CD2 4Å; N305-F309 HydrophobicContact CB-CE2 4.29Å; N305-F309 WeakPolarHBondContact O-CB 3.37Å; N305-F309 WeakPolarHBondContact O-CD2 3.29Å; N305-F309 PolarHBondContact O-N 3.17Å
306	K	47.8	Very low	44	Very low	176 Å²	176	111.8 Å²	111.8	77%	0.765	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.6	-18.5	165.6	-86.4	-170.5	176.9	-178.6	0	113.8	L304 R310	L304-K306 PolarHBondContact O-N 3.2Å; K306-R310 WeakPolarHBondContact O-CG 3.16Å; K306-R310 PolarHBondContact O-NE 3.49Å
307	E	42.6	Very low	44.1	Very low	139 Å²	139	111 Å²	111	65%	0.65	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96	-42.1	174.1	-79.5	161.4	-178.4	0	0	112.2	N305 F309 R310 Y311	N305-E307 PolarHBondContact O-N 2.92Å; E307-F309 VanDerWaalsContact C-N 3.28Å; E307-F309 PolarHBondContact O-N 3.42Å; E307-R310 WeakPolarHBondContact O-CA 3.23Å; E307-R310 WeakPolarHBondContact O-CB 3.4Å; E307-R310 PolarHBondContact O-N 2.89Å; E307-R310 IonicContact OE1-NH2 3.1Å; E307-R310 PolarHBondContact OE1-NH2 3.36Å; E307-R310 VanDerWaalsContact OE1-NH2 3.1Å; E307-Y311 WeakPolarHBondContact O-CB 3.49Å; E307-Y311 PolarHBondContact O-N 3.29Å
308	S	41.7	Very low	44.7	Very low	49 Å²	49	104.5 Å²	104.5	34%	0.343	56%	0.555	S	S	.	*	H	α-helix	trans	-62.7	-33.6	174.9	-32.8	0	0	0	0	112.6	N305 L312	N305-S308 PolarHBondContact O-N 3.48Å; N305-S308 PolarHBondContact OD1-OG 3.29Å; S308-L312 VanDerWaalsContact O-CB 3.31Å; S308-L312 WeakPolarHBondContact O-CB 3.49Å; S308-L312 VanDerWaalsContact O-CG 3.3Å; S308-L312 WeakPolarHBondContact O-CG 3.35Å; S308-L312 PolarHBondContact O-N 2.84Å
309	F	47.5	Very low	45.4	Very low	153 Å²	153	104.8 Å²	104.8	67%	0.671	55%	0.545	S	S	*	.	H	α-helix	trans	-73.9	-22.3	171.7	-83.5	-70	0	0	0	113.7	N305 E307 K313	N305-F309 HydrophobicContact CB-CD2 4Å; N305-F309 HydrophobicContact CB-CE2 4.29Å; N305-F309 WeakPolarHBondContact O-CB 3.37Å; N305-F309 WeakPolarHBondContact O-CD2 3.29Å; N305-F309 PolarHBondContact O-N 3.17Å; E307-F309 VanDerWaalsContact C-N 3.28Å; E307-F309 PolarHBondContact O-N 3.42Å; F309-K313 WeakPolarHBondContact O-CB 3.5Å
310	R	49	Very low	45.9	Very low	142 Å²	142	103.3 Å²	103.3	54%	0.536	54%	0.537	S	S	.	.	H	α-helix	trans	-74.9	-54.2	167.9	-77.3	-175.3	-78.6	170.7	1.2	109.7	K306 E307 L312 K313 D314	K306-R310 WeakPolarHBondContact O-CG 3.16Å; K306-R310 PolarHBondContact O-NE 3.49Å; E307-R310 WeakPolarHBondContact O-CA 3.23Å; E307-R310 WeakPolarHBondContact O-CB 3.4Å; E307-R310 PolarHBondContact O-N 2.89Å; E307-R310 IonicContact OE1-NH2 3.1Å; E307-R310 PolarHBondContact OE1-NH2 3.36Å; E307-R310 VanDerWaalsContact OE1-NH2 3.1Å; R310-L312 VanDerWaalsContact C-N 3.34Å; R310-L312 PolarHBondContact O-N 3.13Å; R310-K313 CarbonylContact O-C 3.55Å; R310-K313 WeakPolarHBondContact O-CA 3.49Å; R310-K313 VanDerWaalsContact O-CB 3.29Å; R310-K313 WeakPolarHBondContact O-CB 3.3Å; R310-K313 PolarHBondContact O-N 3.46Å; R310-D314 VanDerWaalsContact O-CG 3.28Å; R310-D314 PolarHBondContact O-N 3.4Å
311	Y	48.5	Very low	46.2	Very low	124 Å²	124	102.5 Å²	102.5	49%	0.486	52%	0.523	S	S	.	.	H	α-helix	trans	-49.5	-47.7	175.5	175.8	-104.2	0	0	0	113.6	E307 K313 D314 E315	E307-Y311 WeakPolarHBondContact O-CB 3.49Å; E307-Y311 PolarHBondContact O-N 3.29Å; Y311-K313 VanDerWaalsContact C-N 3.27Å; Y311-K313 PolarHBondContact O-N 3.31Å; Y311-D314 PolarHBondContact O-N 2.94Å; Y311-E315 WeakPolarHBondContact O-CB 3.33Å; Y311-E315 PolarHBondContact O-N 2.69Å
312	L	49	Very low	46.7	Very low	54 Å²	54	103 Å²	103	28%	0.283	52%	0.52	S	S	.	.	H	α-helix	trans	-69.5	-20.7	177.2	-76.8	168.3	0	0	0	114.6	L285 S308 R310 Q316	L285-L312 HydrophobicContact CB-CD2 4.45Å; L285-L312 HydrophobicContact CD2-CD1 3.49Å; L285-L312 VanDerWaalsContact CD2-CD1 3.49Å; L285-L312 HydrophobicContact CD2-CD2 3.58Å; L285-L312 HydrophobicContact CD2-CG 4.17Å; S308-L312 VanDerWaalsContact O-CB 3.31Å; S308-L312 WeakPolarHBondContact O-CB 3.49Å; S308-L312 VanDerWaalsContact O-CG 3.3Å; S308-L312 WeakPolarHBondContact O-CG 3.35Å; S308-L312 PolarHBondContact O-N 2.84Å; R310-L312 VanDerWaalsContact C-N 3.34Å; R310-L312 PolarHBondContact O-N 3.13Å; L312-Q316 WeakPolarHBondContact O-CG 3.32Å; L312-Q316 PolarHBondContact O-NE2 3.26Å
313	K	45.6	Very low	46.9	Very low	131 Å²	131	100 Å²	100	57%	0.57	50%	0.504	S	S	*	.	H	α-helix	trans	-80.3	-49.5	171.5	-164.1	-173.4	179.2	-162.8	0	109.1	F309 R310 Y311 E315 Q316 L317	F309-K313 WeakPolarHBondContact O-CB 3.5Å; R310-K313 CarbonylContact O-C 3.55Å; R310-K313 WeakPolarHBondContact O-CA 3.49Å; R310-K313 VanDerWaalsContact O-CB 3.29Å; R310-K313 WeakPolarHBondContact O-CB 3.3Å; R310-K313 PolarHBondContact O-N 3.46Å; Y311-K313 VanDerWaalsContact C-N 3.27Å; Y311-K313 PolarHBondContact O-N 3.31Å; K313-E315 PolarHBondContact O-N 3.4Å; K313-Q316 PolarHBondContact O-N 2.86Å; K313-L317 HydrophobicContact CD-CD1 4.46Å; K313-L317 HydrophobicContact CG-CD1 4.05Å; K313-L317 HydrophobicContact CG-CG 4.34Å; K313-L317 VanDerWaalsContact O-CG 3.29Å; K313-L317 WeakPolarHBondContact O-CG 3.21Å; K313-L317 PolarHBondContact O-N 2.99Å
314	D	48.9	Very low	47	Very low	31 Å²	31	97.9 Å²	97.9	17%	0.166	47%	0.472	C	S	.	.	H	α-helix	trans	-57.1	-47.4	178.7	-58.8	-36.7	0	0	0	111.5	R310 Y311 Q316 L317 C318 Y327	R310-D314 VanDerWaalsContact O-CG 3.28Å; R310-D314 PolarHBondContact O-N 3.4Å; Y311-D314 PolarHBondContact O-N 2.94Å; D314-Q316 VanDerWaalsContact C-N 3.26Å; D314-Q316 PolarHBondContact O-N 2.84Å; D314-L317 PolarHBondContact O-N 3.41Å; D314-C318 WeakPolarHBondContact O-CB 3.43Å; D314-C318 PolarHBondContact O-N 3.48Å; D314-C318 PolarHBondContact O-SG 3.04Å; D314-C318 VanDerWaalsContact O-SG 3.35Å; D314-Y327 PolarHBondContact OD1-OH 3.23Å
315	E	49.8	Very low	46.9	Very low	44 Å²	44	97.8 Å²	97.8	21%	0.206	47%	0.468	C	S	.	.	H	α-helix	trans	-51.2	-42.1	172.3	-106	-79.8	151.6	0	0	112.3	Y311 K313 R319 H340	Y311-E315 WeakPolarHBondContact O-CB 3.33Å; Y311-E315 PolarHBondContact O-N 2.69Å; K313-E315 PolarHBondContact O-N 3.4Å; E315-R319 WeakPolarHBondContact O-CB 3.38Å; E315-R319 WeakPolarHBondContact O-CG 3.3Å; E315-R319 PolarHBondContact O-N 3.33Å; E315-R319 IonicContact OE1-NH2 3.77Å; E315-R319 IonicContact OE2-CZ 3.37Å; E315-R319 IonicContact OE2-NE 3.61Å; E315-R319 PolarHBondContact OE2-NE 3.02Å; E315-R319 IonicContact OE2-NH2 2.81Å; E315-R319 PolarHBondContact OE2-NH2 3.43Å; E315-H340 IonicContact OE1-CD2 3.65Å; E315-H340 PolarHBondContact OE1-CD2 3.35Å; E315-H340 IonicContact OE1-NE2 2.72Å
316	Q	50.4	Low	46.3	Very low	98 Å²	98	102 Å²	102	46%	0.458	48%	0.484	S	S	.	.	H	α-helix	trans	-78.5	-35.7	-179.2	-72.6	-175.3	55.3	0	0	112.7	L312 K313 D314 R319 L320	L312-Q316 WeakPolarHBondContact O-CG 3.32Å; L312-Q316 PolarHBondContact O-NE2 3.26Å; K313-Q316 PolarHBondContact O-N 2.86Å; D314-Q316 VanDerWaalsContact C-N 3.26Å; D314-Q316 PolarHBondContact O-N 2.84Å; Q316-R319 PolarHBondContact O-N 3.11Å; Q316-L320 WeakPolarHBondContact O-CB 3.47Å; Q316-L320 PolarHBondContact O-N 3.24Å; Q316-L320 VanDerWaalsContact O-N 3.16Å
317	L	47.5	Very low	46	Very low	39 Å²	39	97.1 Å²	97.1	20%	0.204	46%	0.462	C	S	.	.	H	α-helix	trans	-66.2	-44.5	176.5	-63.1	172.3	0	0	0	110.6	K313 D314 R319 L320 N321 L322 Y327	K313-L317 HydrophobicContact CD-CD1 4.46Å; K313-L317 HydrophobicContact CG-CD1 4.05Å; K313-L317 HydrophobicContact CG-CG 4.34Å; K313-L317 VanDerWaalsContact O-CG 3.29Å; K313-L317 WeakPolarHBondContact O-CG 3.21Å; K313-L317 PolarHBondContact O-N 2.99Å; D314-L317 PolarHBondContact O-N 3.41Å; L317-R319 PolarHBondContact O-N 3.16Å; L317-L320 PolarHBondContact O-N 3.38Å; L317-N321 PolarHBondContact O-N 2.89Å; L317-L322 WeakPolarHBondContact CD2-O 3.33Å; L317-Y327 HydrophobicContact CD1-CE2 4.41Å
318	C	46.7	Very low	46.1	Very low	45 Å²	45	95.1 Å²	95.1	30%	0.304	45%	0.448	S	S	.	.	H	α-helix	trans	-61.6	-41	174.5	-66.2	0	0	0	0	112.2	D314 L320	D314-C318 WeakPolarHBondContact O-CB 3.43Å; D314-C318 PolarHBondContact O-N 3.48Å; D314-C318 PolarHBondContact O-SG 3.04Å; D314-C318 VanDerWaalsContact O-SG 3.35Å; C318-L320 VanDerWaalsContact C-N 3.28Å; C318-L320 PolarHBondContact O-N 3.37Å
319	R	49.3	Very low	46.1	Very low	171 Å²	171	94.8 Å²	94.8	65%	0.645	44%	0.444	S	S	*	.	H	α-helix	trans	-69.8	-17.3	176.8	-75.7	176.1	-169.6	-101.3	-2.3	115.2	E315 Q316 L317	E315-R319 WeakPolarHBondContact O-CB 3.38Å; E315-R319 WeakPolarHBondContact O-CG 3.3Å; E315-R319 PolarHBondContact O-N 3.33Å; E315-R319 IonicContact OE1-NH2 3.77Å; E315-R319 IonicContact OE2-CZ 3.37Å; E315-R319 IonicContact OE2-NE 3.61Å; E315-R319 PolarHBondContact OE2-NE 3.02Å; E315-R319 IonicContact OE2-NH2 2.81Å; E315-R319 PolarHBondContact OE2-NH2 3.43Å; Q316-R319 PolarHBondContact O-N 3.11Å; L317-R319 PolarHBondContact O-N 3.16Å
320	L	44.6	Very low	45.7	Very low	111 Å²	111	92.6 Å²	92.6	58%	0.581	45%	0.445	S	S	*	.	H	α-helix	trans	-114.4	-10.3	-173.8	-78.8	162.3	0	0	0	114	Q316 L317 C318 L322	Q316-L320 WeakPolarHBondContact O-CB 3.47Å; Q316-L320 PolarHBondContact O-N 3.24Å; Q316-L320 VanDerWaalsContact O-N 3.16Å; L317-L320 PolarHBondContact O-N 3.38Å; C318-L320 VanDerWaalsContact C-N 3.28Å; C318-L320 PolarHBondContact O-N 3.37Å; L320-L322 VanDerWaalsContact O-CD1 3.23Å; L320-L322 WeakPolarHBondContact O-CD1 3.13Å; L320-L322 PolarHBondContact O-N 3.12Å
321	N	50.4	Low	45.4	Very low	100 Å²	100	92.5 Å²	92.5	54%	0.535	45%	0.451	S	S	.	.			trans	57.5	-9.2	-170.1	-66.1	-41	0	0	0	115.8	L317 G323	L317-N321 PolarHBondContact O-N 2.89Å; N321-G323 PolarHBondContact O-N 2.74Å; N321-G323 VanDerWaalsContact O-N 3.09Å
322	L	42.1	Very low	45.3	Very low	145 Å²	145	88.6 Å²	88.6	76%	0.759	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	80.6	176.2	-88.1	69.2	0	0	0	110.8	L317 L320	L317-L322 WeakPolarHBondContact CD2-O 3.33Å; L320-L322 VanDerWaalsContact O-CD1 3.23Å; L320-L322 WeakPolarHBondContact O-CD1 3.13Å; L320-L322 PolarHBondContact O-N 3.12Å
323	G	42.1	Very low	45.3	Very low	32 Å²	32	86.7 Å²	86.7	33%	0.33	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	162.6	-11.4	175	0	0	0	0	0	116.4	N321 Q325	N321-G323 PolarHBondContact O-N 2.74Å; N321-G323 VanDerWaalsContact O-N 3.09Å; G323-Q325 PolarHBondContact O-N 3.46Å
324	M	45.8	Very low	45.5	Very low	40 Å²	40	86.7 Å²	86.7	20%	0.197	44%	0.441	C	S	.	.	G	3₁₀ helix	trans	-63.5	-0.5	-171.5	-65.1	-111.2	57.3	0	0	115.6	E326 Y327 R328 P336 F337	M324-E326 PolarHBondContact O-N 3.25Å; M324-Y327 CarbonylContact O-C 3.44Å; M324-Y327 PolarHBondContact O-N 2.87Å; M324-Y327 VanDerWaalsContact O-N 3.17Å; M324-R328 WeakPolarHBondContact O-CG 3.02Å; M324-R328 PolarHBondContact O-N 3.03Å; M324-R328 VanDerWaalsContact O-N 3.1Å; M324-P336 HydrophobicContact SD-CB 3.77Å; M324-F337 HydrophobicContact CE-CD2 4.13Å; M324-F337 HydrophobicContact CE-CE2 4.02Å
325	Q	44.1	Very low	45.9	Very low	139 Å²	139	88.7 Å²	88.7	65%	0.65	45%	0.454	S	S	*	.	G	3₁₀ helix	trans	-69.1	-32.1	-174.9	-162.1	64.7	15.9	0	0	113.9	G323	G323-Q325 PolarHBondContact O-N 3.46Å
326	E	39.7	Very low	46.5	Very low	179 Å²	179	88.8 Å²	88.8	84%	0.836	46%	0.459	S	S	*	.	G	3₁₀ helix	trans	-88.8	-7.2	173.2	-64.3	-175.9	151.4	0	0	112.9	M324	M324-E326 PolarHBondContact O-N 3.25Å
327	Y	41.8	Very low	47.5	Very low	74 Å²	74	85.8 Å²	85.8	29%	0.29	44%	0.444	S	S	.	.	S	Bend	trans	-117.1	8.4	-171.1	-63.8	-109.2	0	0	0	112.8	D314 L317 M324	D314-Y327 PolarHBondContact OD1-OH 3.23Å; L317-Y327 HydrophobicContact CD1-CE2 4.41Å; M324-Y327 CarbonylContact O-C 3.44Å; M324-Y327 PolarHBondContact O-N 2.87Å; M324-Y327 VanDerWaalsContact O-N 3.17Å
328	R	43.9	Very low	48.5	Very low	96 Å²	96	87.7 Å²	87.7	36%	0.362	45%	0.453	S	S	.	.	S	Bend	trans	-63.9	138.6	167.9	-59.2	-169.7	-164.9	-164	0.3	109	M324 Q334	M324-R328 WeakPolarHBondContact O-CG 3.02Å; M324-R328 PolarHBondContact O-N 3.03Å; M324-R328 VanDerWaalsContact O-N 3.1Å; R328-Q334 VanDerWaalsContact CZ-CD 3.41Å; R328-Q334 VanDerWaalsContact NH1-CD 3.26Å
329	V	41.5	Very low	49.9	Very low	42 Å²	42	89 Å²	89	26%	0.255	46%	0.46	S	S	.	.	P	Polyproline II helix	trans	-55.3	133	163.3	-174.2	0	0	0	0	107.8	Q331 G332 V333	V329-Q331 PolarHBondContact O-N 2.78Å; V329-G332 PolarHBondContact O-N 2.73Å; V329-V333 HydrophobicContact CB-CB 4.29Å
330	P	38.9	Very low	51.3	Low	108 Å²	108	83.6 Å²	83.6	70%	0.701	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	133.5	172.4	25.2	-33.7	0	0	0	108.6
331	Q	42.7	Very low	53.1	Low	139 Å²	139	82.9 Å²	82.9	65%	0.65	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.5	32.1	-170.4	-50.8	165.4	-52.2	0	0	116.3	V329 V333 F382	V329-Q331 PolarHBondContact O-N 2.78Å; Q331-V333 PolarHBondContact O-N 2.77Å; Q331-F382 WeakPolarHBondContact O-CD1 3.39Å; Q331-F382 WeakPolarHBondContact O-CE1 3.22Å; Q331-F382 WeakPolarHBondContact O-CZ 3.4Å
332	G	46.8	Very low	54.7	Low	42 Å²	42	79.5 Å²	79.5	43%	0.433	42%	0.416	S	S	.	.			trans	93	-4.9	139.5	0	0	0	0	0	117.9	V329 Q334	V329-G332 PolarHBondContact O-N 2.73Å; G332-Q334 PolarHBondContact O-N 2.95Å
333	V	48.6	Very low	56.7	Low	14 Å²	14	74.1 Å²	74.1	9%	0.085	39%	0.387	C	S	.	.			trans	-50.5	131.9	163.9	178.8	0	0	0	0	109.9	V329 Q331 T335 E379 F382	V329-V333 HydrophobicContact CB-CB 4.29Å; Q331-V333 PolarHBondContact O-N 2.77Å; V333-T335 WeakPolarHBondContact CG1-OG1 3.34Å; V333-E379 HydrophobicContact CG2-CG 4.36Å; V333-F382 HydrophobicContact CG2-CD2 4.13Å; V333-F382 HydrophobicContact CG2-CE2 3.51Å; V333-F382 HydrophobicContact CG2-CZ 4.24Å
334	Q	50.9	Low	58.8	Low	132 Å²	132	75.6 Å²	75.6	62%	0.617	39%	0.393	S	S	*	.			trans	-128.4	25.8	175.4	-75.2	-167.2	102.5	0	0	112.7	R328 G332 P336	R328-Q334 VanDerWaalsContact CZ-CD 3.41Å; R328-Q334 VanDerWaalsContact NH1-CD 3.26Å; G332-Q334 PolarHBondContact O-N 2.95Å; Q334-P336 WeakPolarHBondContact O-CD 3.06Å
335	T	56.3	Low	60.9	Low	72 Å²	72	74.2 Å²	74.2	44%	0.442	39%	0.386	S	S	.	.	P	Polyproline II helix	trans	-70.1	122.1	162.7	41.8	0	0	0	0	108.7	V333 D378	V333-T335 WeakPolarHBondContact CG1-OG1 3.34Å; T335-D378 PolarHBondContact OG1-OD2 3.29Å
336	P	62.4	Low	63	Low	46 Å²	46	69 Å²	69	30%	0.299	36%	0.36	S	S	.	.	P	Polyproline II helix	trans	-73.1	136.4	169.3	30.4	-32.4	0	0	0	108.9	M324 Q334 M338	M324-P336 HydrophobicContact SD-CB 3.77Å; Q334-P336 WeakPolarHBondContact O-CD 3.06Å; P336-M338 HydrophobicContact CG-CE 4.44Å; P336-M338 VanDerWaalsContact O-CE 3.22Å; P336-M338 WeakPolarHBondContact O-CE 3.35Å; P336-M338 PolarHBondContact O-N 3.36Å
337	F	70.9	Confident	65.1	Low	35 Å²	35	68.3 Å²	68.3	15%	0.154	35%	0.35	C	S	.	.	P	Polyproline II helix	trans	-55	126.3	179.7	-53.1	-72.3	0	0	0	111	M324 T339 H343 R346	M324-F337 HydrophobicContact CE-CD2 4.13Å; M324-F337 HydrophobicContact CE-CE2 4.02Å; F337-T339 VanDerWaalsContact C-N 3.3Å; F337-T339 PolarHBondContact O-N 2.79Å; F337-H343 HydrophobicContact CB-CB 4.01Å; F337-H343 HydrophobicContact CD1-CB 4.12Å; F337-H343 HydrophobicContact CD2-CB 3.96Å; F337-H343 AromaticContact CD2-CD2 3.83Å; F337-H343 HydrophobicContact CE2-CB 4.49Å; F337-H343 AromaticContact CE2-CD2 3.55Å; F337-H343 HydrophobicContact CG-CB 3.76Å; F337-H343 AromaticContact CZ-CD2 3.87Å; F337-R346 HydrophobicContact CE1-CB 4.35Å
338	M	68.4	Low	67.1	Low	79 Å²	79	68.9 Å²	68.9	39%	0.389	36%	0.358	S	S	.	.	S	Bend	trans	-68.3	-31.6	-179.3	-65.3	-71.8	98.7	0	0	111.6	P336 E342 Q612	P336-M338 HydrophobicContact CG-CE 4.44Å; P336-M338 VanDerWaalsContact O-CE 3.22Å; P336-M338 WeakPolarHBondContact O-CE 3.35Å; P336-M338 PolarHBondContact O-N 3.36Å; M338-E342 WeakPolarHBondContact CB-OE2 3.4Å; M338-E342 PolarHBondContact N-OE2 2.97Å; M338-Q612 HydrophobicContact SD-CB 4.11Å; M338-Q612 HydrophobicContact SD-CG 3.76Å; M338-Q612 PolarHBondContact SD-NE2 3.28Å; M338-Q612 VanDerWaalsContact SD-NE2 3.43Å
339	T	76	Confident	69	Low	73 Å²	73	68.7 Å²	68.7	45%	0.448	36%	0.36	S	S	.	.			trans	-141.9	158.9	-179.8	71	0	0	0	0	113.2	F337 Q341 E342 H343	F337-T339 VanDerWaalsContact C-N 3.3Å; F337-T339 PolarHBondContact O-N 2.79Å; T339-Q341 PolarHBondContact O-N 2.91Å; T339-Q341 PolarHBondContact OG1-N 3.37Å; T339-E342 PolarHBondContact O-N 2.79Å; T339-E342 WeakPolarHBondContact OG1-CB 3.4Å; T339-E342 PolarHBondContact OG1-N 2.63Å; T339-H343 PolarHBondContact O-N 2.84Å; T339-H343 VanDerWaalsContact O-N 3.16Å
340	H	79.2	Confident	71	Confident	58 Å²	58	68.3 Å²	68.3	27%	0.269	36%	0.357	S	S	.	.	H	α-helix	trans	-65	-24.3	169.5	-97.4	-77.2	0	0	0	113.5	E315 S344	E315-H340 IonicContact OE1-CD2 3.65Å; E315-H340 PolarHBondContact OE1-CD2 3.35Å; E315-H340 IonicContact OE1-NE2 2.72Å; H340-S344 WeakPolarHBondContact O-CB 3.22Å; H340-S344 PolarHBondContact O-N 2.7Å; H340-S344 VanDerWaalsContact O-N 3.17Å
341	Q	82.8	Confident	73	Confident	96 Å²	96	71.7 Å²	71.7	45%	0.449	36%	0.36	S	S	.	.	H	α-helix	trans	-71.3	-50	174.7	-174.7	174.3	-4.6	0	0	110.1	T339 H343 S344 I345 E363	T339-Q341 PolarHBondContact O-N 2.91Å; T339-Q341 PolarHBondContact OG1-N 3.37Å; Q341-H343 PolarHBondContact O-N 3.19Å; Q341-S344 CarbonylContact O-C 3.54Å; Q341-S344 WeakPolarHBondContact O-CA 3.5Å; Q341-S344 WeakPolarHBondContact O-CB 3.44Å; Q341-S344 PolarHBondContact O-N 2.86Å; Q341-I345 HydrophobicContact CG-CD1 4.07Å; Q341-I345 WeakPolarHBondContact O-CG1 3.38Å; Q341-I345 PolarHBondContact O-N 2.89Å; Q341-E363 PolarHBondContact NE2-OE1 2.75Å
342	E	84.1	Confident	74.7	Confident	28 Å²	28	67.2 Å²	67.2	13%	0.131	34%	0.342	C	S	.	.	H	α-helix	trans	-54.5	-48.2	175	-177.1	-170.9	-167.5	0	0	112.2	M338 T339 S344 I345 R346 Y376	M338-E342 WeakPolarHBondContact CB-OE2 3.4Å; M338-E342 PolarHBondContact N-OE2 2.97Å; T339-E342 PolarHBondContact O-N 2.79Å; T339-E342 WeakPolarHBondContact OG1-CB 3.4Å; T339-E342 PolarHBondContact OG1-N 2.63Å; E342-S344 PolarHBondContact O-N 3.01Å; E342-I345 PolarHBondContact O-N 2.73Å; E342-I345 VanDerWaalsContact O-N 3.12Å; E342-R346 HydrophobicContact CG-CG 4.35Å; E342-R346 WeakPolarHBondContact O-CB 3.45Å; E342-R346 PolarHBondContact O-N 3.09Å; E342-R346 IonicContact OE1-CZ 3.19Å; E342-R346 VanDerWaalsContact OE1-CZ 3.25Å; E342-R346 IonicContact OE1-NE 3.25Å; E342-R346 PolarHBondContact OE1-NE 3.34Å; E342-R346 IonicContact OE1-NH2 3.42Å; E342-R346 PolarHBondContact OE1-NH2 3.09Å; E342-Y376 HydrophobicContact CG-CE1 4.2Å
343	H	83.4	Confident	76.3	Confident	32 Å²	32	68.8 Å²	68.8	15%	0.148	36%	0.358	C	S	.	.	H	α-helix	trans	-61	-31	174.5	169.3	-113.8	0	0	0	112.8	F337 T339 Q341 R347	F337-H343 HydrophobicContact CB-CB 4.01Å; F337-H343 HydrophobicContact CD1-CB 4.12Å; F337-H343 HydrophobicContact CD2-CB 3.96Å; F337-H343 AromaticContact CD2-CD2 3.83Å; F337-H343 HydrophobicContact CE2-CB 4.49Å; F337-H343 AromaticContact CE2-CD2 3.55Å; F337-H343 HydrophobicContact CG-CB 3.76Å; F337-H343 AromaticContact CZ-CD2 3.87Å; T339-H343 PolarHBondContact O-N 2.84Å; T339-H343 VanDerWaalsContact O-N 3.16Å; Q341-H343 PolarHBondContact O-N 3.19Å; H343-R347 VanDerWaalsContact O-CB 3.3Å; H343-R347 WeakPolarHBondContact O-CB 3.5Å; H343-R347 PolarHBondContact O-N 2.92Å
344	S	86.1	Confident	78.1	Confident	63 Å²	63	71 Å²	71	44%	0.441	37%	0.372	S	S	.	.	H	α-helix	trans	-74.8	-32.8	174.8	-164.9	0	0	0	0	112.6	H340 Q341 E342 N348	H340-S344 WeakPolarHBondContact O-CB 3.22Å; H340-S344 PolarHBondContact O-N 2.7Å; H340-S344 VanDerWaalsContact O-N 3.17Å; Q341-S344 CarbonylContact O-C 3.54Å; Q341-S344 WeakPolarHBondContact O-CA 3.5Å; Q341-S344 WeakPolarHBondContact O-CB 3.44Å; Q341-S344 PolarHBondContact O-N 2.86Å; E342-S344 PolarHBondContact O-N 3.01Å; S344-N348 PolarHBondContact O-ND2 3.14Å
345	I	89.4	Confident	79.9	Confident	12 Å²	12	70.2 Å²	70.2	6%	0.062	37%	0.367	C	S	.	.	H	α-helix	trans	-72.7	-56.2	176.8	-62.9	168.4	0	0	0	109.7	Q341 E342 R347 N348 H361 E363 H374 Y376	Q341-I345 HydrophobicContact CG-CD1 4.07Å; Q341-I345 WeakPolarHBondContact O-CG1 3.38Å; Q341-I345 PolarHBondContact O-N 2.89Å; E342-I345 PolarHBondContact O-N 2.73Å; E342-I345 VanDerWaalsContact O-N 3.12Å; I345-R347 PolarHBondContact O-N 3.18Å; I345-N348 PolarHBondContact O-N 3.18Å; I345-H361 HydrophobicContact CG2-CB 3.88Å; I345-E363 HydrophobicContact CD1-CB 4.13Å; I345-E363 HydrophobicContact CD1-CG 4.22Å; I345-E363 HydrophobicContact CG1-CB 3.99Å; I345-E363 HydrophobicContact CG1-CG 4.15Å; I345-H374 HydrophobicContact CG2-CB 4Å; I345-Y376 HydrophobicContact CG2-CE2 4.49Å
346	R	88.5	Confident	81.6	Confident	29 Å²	29	67.3 Å²	67.3	11%	0.109	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-7.6	178.6	-69.2	179.8	-174.9	-118.8	21.4	114.7	F337 E342 H361 Y376 D378 E379	F337-R346 HydrophobicContact CE1-CB 4.35Å; E342-R346 HydrophobicContact CG-CG 4.35Å; E342-R346 WeakPolarHBondContact O-CB 3.45Å; E342-R346 PolarHBondContact O-N 3.09Å; E342-R346 IonicContact OE1-CZ 3.19Å; E342-R346 VanDerWaalsContact OE1-CZ 3.25Å; E342-R346 IonicContact OE1-NE 3.25Å; E342-R346 PolarHBondContact OE1-NE 3.34Å; E342-R346 IonicContact OE1-NH2 3.42Å; E342-R346 PolarHBondContact OE1-NH2 3.09Å; R346-H361 WeakPolarHBondContact CA-ND1 3.4Å; R346-H361 PolarHBondContact O-CE1 2.99Å; R346-H361 PolarHBondContact O-ND1 3Å; R346-Y376 HydrophobicContact CG-CD2 3.72Å; R346-Y376 HydrophobicContact CG-CE1 4.42Å; R346-Y376 HydrophobicContact CG-CE2 3.33Å; R346-Y376 HydrophobicContact CG-CG 4.43Å; R346-Y376 VanDerWaalsContact CZ-CD1 3.41Å; R346-Y376 VanDerWaalsContact CZ-CG 3.41Å; R346-D378 IonicContact CZ-OD1 3.79Å; R346-D378 IonicContact CZ-OD2 2.7Å; R346-D378 IonicContact NH1-OD1 3.81Å; R346-D378 PolarHBondContact NH1-OD1 3Å; R346-D378 IonicContact NH1-OD2 3.88Å; R346-D378 PolarHBondContact NH1-OD2 2.61Å; R346-D378 IonicContact NH2-OD1 2.73Å; R346-D378 PolarHBondContact NH2-OD1 2.61Å; R346-D378 IonicContact NH2-OD2 3.68Å; R346-D378 PolarHBondContact NH2-OD2 3.07Å; R346-E379 WeakPolarHBondContact CD-OE1 3.36Å; R346-E379 IonicContact CZ-OE1 3.95Å; R346-E379 IonicContact NE-OE1 2.71Å; R346-E379 VanDerWaalsContact NH1-CD 3.3Å; R346-E379 IonicContact NH1-OE1 3.23Å; R346-E379 PolarHBondContact NH1-OE1 2.87Å
347	R	84.1	Confident	82.8	Confident	165 Å²	165	65.7 Å²	65.7	62%	0.623	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.1	-22.4	173.6	-172	177.8	-173.3	106.5	6.9	113.1	H343 I345 F349	H343-R347 VanDerWaalsContact O-CB 3.3Å; H343-R347 WeakPolarHBondContact O-CB 3.5Å; H343-R347 PolarHBondContact O-N 2.92Å; I345-R347 PolarHBondContact O-N 3.18Å; R347-F349 PolarHBondContact O-N 3.23Å
348	N	84.1	Confident	83.7	Confident	85 Å²	85	68.4 Å²	68.4	46%	0.455	35%	0.354	S	S	.	.	S	Bend	trans	-100.5	61.1	-175.4	-67.4	-15.9	0	0	0	110.7	S344 I345 E362	S344-N348 PolarHBondContact O-ND2 3.14Å; I345-N348 PolarHBondContact O-N 3.18Å; N348-E362 PolarHBondContact O-N 2.83Å
349	F	83.6	Confident	84.8	Confident	93 Å²	93	65.7 Å²	65.7	41%	0.408	34%	0.34	S	S	.	.	B	Isolated β-bridge	trans	-70.7	137.3	178.1	64.6	-91.4	0	0	0	111.8	R347 I360	R347-F349 PolarHBondContact O-N 3.23Å; F349-I360 CarbonylContact C-O 3.58Å; F349-I360 WeakPolarHBondContact CA-O 3.32Å
350	L	84.4	Confident	85.8	Confident	34 Å²	34	62.2 Å²	62.2	18%	0.178	32%	0.319	C	S	.	.			trans	-80.3	125.5	-173.1	-175.9	66.7	0	0	0	110.7	T352 S357 I360 L373 L398	L350-T352 HydrophobicContact CB-CG2 4.37Å; L350-T352 HydrophobicContact CD2-CG2 3.76Å; L350-T352 HydrophobicContact CG-CG2 3.88Å; L350-T352 PolarHBondContact O-N 3.06Å; L350-S357 WeakPolarHBondContact O-CA 3.17Å; L350-S357 WeakPolarHBondContact O-CB 3.23Å; L350-S357 PolarHBondContact O-OG 3.02Å; L350-I360 HydrophobicContact CB-CB 4.45Å; L350-I360 HydrophobicContact CB-CG2 4.15Å; L350-I360 HydrophobicContact CD2-CG2 4.12Å; L350-I360 PolarHBondContact N-O 3.29Å; L350-L373 HydrophobicContact CD2-CD1 4.32Å; L350-L398 HydrophobicContact CD2-CD1 4.14Å; L350-L398 HydrophobicContact CD2-CD2 4.42Å
351	K	80.9	Confident	86.6	Confident	178 Å²	178	59.7 Å²	59.7	77%	0.774	31%	0.307	S	S	*	.			trans	-81.6	64.2	-177.7	-66.2	177.6	-178.4	170.7	0	112.3	G353	K351-G353 PolarHBondContact O-N 3.12Å
352	T	78.4	Confident	87.1	Confident	45 Å²	45	58 Å²	58	28%	0.276	30%	0.299	S	S	.	.			trans	-63.1	-20	176	65.1	0	0	0	0	113	L350 T354 S357 I360 E394 L398	L350-T352 HydrophobicContact CB-CG2 4.37Å; L350-T352 HydrophobicContact CD2-CG2 3.76Å; L350-T352 HydrophobicContact CG-CG2 3.88Å; L350-T352 PolarHBondContact O-N 3.06Å; T352-T354 VanDerWaalsContact C-N 3.29Å; T352-T354 PolarHBondContact OG1-OG1 3.07Å; T352-S357 PolarHBondContact N-OG 2.74Å; T352-S357 VanDerWaalsContact N-OG 3.13Å; T352-S357 PolarHBondContact OG1-OG 2.9Å; T352-I360 HydrophobicContact CG2-CD1 4.36Å; T352-E394 WeakPolarHBondContact CB-OE1 3.44Å; T352-E394 WeakPolarHBondContact CG2-OE1 3.15Å; T352-E394 PolarHBondContact OG1-OE1 3.16Å; T352-L398 HydrophobicContact CG2-CD1 3.73Å
353	G	80.4	Confident	87.7	Confident	75 Å²	75	57.3 Å²	57.3	77%	0.773	30%	0.296	S	S	*	.	S	Bend	trans	85.2	1.1	179.6	0	0	0	0	0	113.6	K351 S357	K351-G353 PolarHBondContact O-N 3.12Å; G353-S357 PolarHBondContact N-OG 2.88Å
354	T	86.5	Confident	88.2	Confident	62 Å²	62	61.5 Å²	61.5	38%	0.38	32%	0.315	S	S	.	.	S	Bend	trans	-92.6	178.8	175.4	79.4	0	0	0	0	110.6	T352 F356 S357 E394	T352-T354 VanDerWaalsContact C-N 3.29Å; T352-T354 PolarHBondContact OG1-OG1 3.07Å; T354-F356 PolarHBondContact O-N 3.48Å; T354-F356 PolarHBondContact OG1-N 3.35Å; T354-S357 PolarHBondContact N-OG 3.43Å; T354-S357 PolarHBondContact O-OG 2.99Å; T354-E394 VanDerWaalsContact CB-OE2 3.23Å; T354-E394 WeakPolarHBondContact CB-OE2 3.41Å; T354-E394 WeakPolarHBondContact CG2-OE1 3.41Å; T354-E394 WeakPolarHBondContact CG2-OE2 3.38Å; T354-E394 PolarHBondContact OG1-OE1 3.48Å; T354-E394 PolarHBondContact OG1-OE2 2.75Å
355	K	87.6	Confident	88.6	Confident	115 Å²	115	59.5 Å²	59.5	50%	0.5	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-10.5	170.7	69.6	173.3	-176	176.6	0	113.6	E387	K355-E387 IonicContact NZ-OE1 2.66Å; K355-E387 PolarHBondContact NZ-OE1 2.96Å
356	F	91.4	Very high	88.8	Confident	11 Å²	11	64.2 Å²	64.2	5%	0.048	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.9	-12	-174.8	-64	-55.9	0	0	0	113.6	T354 N358 F359 L383 E387 R390 F391 E394	T354-F356 PolarHBondContact O-N 3.48Å; T354-F356 PolarHBondContact OG1-N 3.35Å; F356-N358 PolarHBondContact O-N 2.83Å; F356-F359 PolarHBondContact O-N 3.32Å; F356-L383 HydrophobicContact CD1-CD1 4.35Å; F356-L383 HydrophobicContact CD1-CD2 4.42Å; F356-L383 HydrophobicContact CE1-CD1 4.12Å; F356-L383 HydrophobicContact CE1-CD2 4.11Å; F356-E387 HydrophobicContact CE1-CB 4.12Å; F356-E387 WeakPolarHBondContact CE1-O 3.42Å; F356-E387 HydrophobicContact CZ-CB 4.17Å; F356-E387 WeakPolarHBondContact CZ-O 3.41Å; F356-R390 HydrophobicContact CE2-CB 3.76Å; F356-R390 HydrophobicContact CZ-CB 3.93Å; F356-F391 HydrophobicContact CB-CD2 3.89Å; F356-F391 HydrophobicContact CB-CE2 4.43Å; F356-F391 HydrophobicContact CD1-CB 4Å; F356-F391 AromaticContact CD1-CD2 3.87Å; F356-F391 HydrophobicContact CD1-CD2 3.87Å; F356-F391 HydrophobicContact CD1-CG 4.45Å; F356-F391 HydrophobicContact CE1-CB 3.96Å; F356-F391 HydrophobicContact CG-CB 4.34Å; F356-F391 AromaticContact CG-CD2 3.99Å; F356-F391 HydrophobicContact CG-CD2 3.99Å; F356-F391 HydrophobicContact CZ-CB 4.25Å; F356-E394 WeakPolarHBondContact CD2-OE2 3.45Å
357	S	88.6	Confident	89.2	Confident	11 Å²	11	67.1 Å²	67.1	8%	0.077	35%	0.351	C	S	.	.	G	3₁₀ helix	trans	-43.8	-35.7	179	-64.7	0	0	0	0	115.2	L350 T352 G353 T354 F359	L350-S357 WeakPolarHBondContact O-CA 3.17Å; L350-S357 WeakPolarHBondContact O-CB 3.23Å; L350-S357 PolarHBondContact O-OG 3.02Å; T352-S357 PolarHBondContact N-OG 2.74Å; T352-S357 VanDerWaalsContact N-OG 3.13Å; T352-S357 PolarHBondContact OG1-OG 2.9Å; G353-S357 PolarHBondContact N-OG 2.88Å; T354-S357 PolarHBondContact N-OG 3.43Å; T354-S357 PolarHBondContact O-OG 2.99Å; S357-F359 VanDerWaalsContact C-N 3.28Å; S357-F359 PolarHBondContact O-N 2.84Å
358	N	88.7	Confident	89.8	Confident	92 Å²	92	59.2 Å²	59.2	49%	0.492	32%	0.321	S	S	.	.	G	3₁₀ helix	trans	-73.4	-14.6	-177.3	-62	-18.7	0	0	0	114.5	F356 H361	F356-N358 PolarHBondContact O-N 2.83Å; N358-H361 PolarHBondContact O-CE1 3.04Å
359	F	93.4	Very high	90.4	Very high	23 Å²	23	55.7 Å²	55.7	10%	0.101	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-106.3	0.6	-176.7	-58.3	-77.8	0	0	0	112.9	F356 S357 A375 E379 L380 L383 F391	F356-F359 PolarHBondContact O-N 3.32Å; S357-F359 VanDerWaalsContact C-N 3.28Å; S357-F359 PolarHBondContact O-N 2.84Å; F359-A375 WeakPolarHBondContact O-CB 3.47Å; F359-E379 HydrophobicContact CD1-CB 3.92Å; F359-E379 HydrophobicContact CE1-CB 4.31Å; F359-E379 WeakPolarHBondContact CE1-O 3.38Å; F359-L380 HydrophobicContact CB-CD2 3.83Å; F359-L380 HydrophobicContact CD1-CD2 4.33Å; F359-L380 HydrophobicContact CG-CD2 4.22Å; F359-L383 HydrophobicContact CD2-CD2 4.47Å; F359-L383 HydrophobicContact CE2-CD2 3.91Å; F359-L383 HydrophobicContact CZ-CD2 4.09Å; F359-F391 HydrophobicContact CB-CD2 4.27Å; F359-F391 HydrophobicContact CB-CE2 3.63Å; F359-F391 HydrophobicContact CB-CZ 4.34Å
360	I	95.6	Very high	91.1	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	29%	0.286	C	S	.	.			trans	-115.9	116.2	-178.5	-54.4	-177.5	0	0	0	106.8	F349 L350 T352 L373 F391 E394 F395 L398	F349-I360 CarbonylContact C-O 3.58Å; F349-I360 WeakPolarHBondContact CA-O 3.32Å; L350-I360 HydrophobicContact CB-CB 4.45Å; L350-I360 HydrophobicContact CB-CG2 4.15Å; L350-I360 HydrophobicContact CD2-CG2 4.12Å; L350-I360 PolarHBondContact N-O 3.29Å; T352-I360 HydrophobicContact CG2-CD1 4.36Å; I360-L373 HydrophobicContact CG2-CD1 3.51Å; I360-L373 HydrophobicContact CG2-CD2 4.38Å; I360-L373 HydrophobicContact CG2-CG 4.09Å; I360-F391 HydrophobicContact CD1-CE2 4.06Å; I360-F391 HydrophobicContact CG1-CE2 3.52Å; I360-F391 HydrophobicContact CG1-CZ 3.9Å; I360-E394 HydrophobicContact CD1-CG 4.17Å; I360-F395 HydrophobicContact CG1-CD2 4.38Å; I360-F395 HydrophobicContact CG2-CD2 4.38Å; I360-L398 HydrophobicContact CD1-CD1 3.84Å; I360-L398 HydrophobicContact CG2-CD1 4.31Å
361	H	95.6	Very high	91.7	Very high	4 Å²	4	51.6 Å²	51.6	2%	0.019	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	140.4	-173	-52.8	-78.4	0	0	0	111.2	I345 R346 N358 H374 Y376 E379	I345-H361 HydrophobicContact CG2-CB 3.88Å; R346-H361 WeakPolarHBondContact CA-ND1 3.4Å; R346-H361 PolarHBondContact O-CE1 2.99Å; R346-H361 PolarHBondContact O-ND1 3Å; N358-H361 PolarHBondContact O-CE1 3.04Å; H361-H374 HydrophobicContact CB-CB 4.31Å; H361-H374 PolarHBondContact N-O 3.17Å; H361-H374 PolarHBondContact O-N 2.98Å; H361-Y376 AromaticContact CD2-CD2 3.7Å; H361-Y376 AromaticContact CD2-CE2 3.72Å; H361-E379 IonicContact CD2-OE2 2.8Å; H361-E379 IonicContact CE1-OE2 3.71Å; H361-E379 IonicContact NE2-OE1 2.78Å; H361-E379 IonicContact NE2-OE2 2.75Å; H361-E379 PolarHBondContact NE2-OE2 2.82Å
362	E	94.6	Very high	92.5	Very high	60 Å²	60	43.1 Å²	43.1	28%	0.28	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	117.7	-178.5	-175.4	179	-105.1	0	0	111	N348 L371 Y410	N348-E362 PolarHBondContact O-N 2.83Å; E362-L371 HydrophobicContact CG-CD2 4.2Å; E362-Y410 HydrophobicContact CG-CE1 4.44Å
363	E	95.4	Very high	93.4	Very high	14 Å²	14	41 Å²	41	7%	0.065	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	118.4	165.4	-176.9	172.5	-134.4	0	0	110.2	Q341 I345 L371 V372 H374	Q341-E363 PolarHBondContact NE2-OE1 2.75Å; I345-E363 HydrophobicContact CD1-CB 4.13Å; I345-E363 HydrophobicContact CD1-CG 4.22Å; I345-E363 HydrophobicContact CG1-CB 3.99Å; I345-E363 HydrophobicContact CG1-CG 4.15Å; E363-L371 CarbonylContact O-C 3.51Å; E363-L371 WeakPolarHBondContact O-CA 3.35Å; E363-V372 HydrophobicContact CB-CB 4.3Å; E363-V372 PolarHBondContact N-O 3.11Å; E363-V372 PolarHBondContact O-N 3.26Å; E363-H374 WeakPolarHBondContact CB-NE2 3.48Å; E363-H374 IonicContact OE2-NE2 3.67Å
364	H	94.8	Very high	94.2	Very high	121 Å²	121	37.6 Å²	37.6	56%	0.56	20%	0.201	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-89.9	107.6	160.9	-173	145.4	0	0	0	108.3	S366 L371	H364-S366 PolarHBondContact O-N 2.96Å; H364-L371 HydrophobicContact CB-CD2 3.98Å
365	Q	95.3	Very high	94.8	Very high	20 Å²	20	34.7 Å²	34.7	9%	0.093	18%	0.183	C	C	.	.			trans	-67.6	122.8	-171.9	-153.2	-83.6	0.9	0	0	111.8	N367 G369 A370 A666 R667	Q365-N367 VanDerWaalsContact C-N 3.3Å; Q365-N367 PolarHBondContact O-N 3.49Å; Q365-N367 VanDerWaalsContact O-N 3.12Å; Q365-G369 VanDerWaalsContact O-CA 3.31Å; Q365-G369 WeakPolarHBondContact O-CA 3.43Å; Q365-G369 PolarHBondContact O-N 3.4Å; Q365-A370 PolarHBondContact N-O 2.89Å; Q365-A666 HydrophobicContact CB-CB 3.84Å; Q365-A666 HydrophobicContact CG-CB 4.02Å; Q365-R667 PolarHBondContact NE2-O 3.41Å
366	S	93.6	Very high	95.1	Very high	112 Å²	112	29.7 Å²	29.7	78%	0.783	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-21.3	-160.2	-46.1	0	0	0	0	116.6	H364	H364-S366 PolarHBondContact O-N 2.96Å
367	N	96	Very high	95.3	Very high	89 Å²	89	32.2 Å²	32.2	48%	0.476	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.1	-53.1	179.9	-67.6	7.8	0	0	0	110.8	Q365 R659 Y665	Q365-N367 VanDerWaalsContact C-N 3.3Å; Q365-N367 PolarHBondContact O-N 3.49Å; Q365-N367 VanDerWaalsContact O-N 3.12Å; N367-R659 WeakPolarHBondContact O-CG 3.43Å; N367-R659 PolarHBondContact O-NE 3.36Å; N367-R659 VanDerWaalsContact O-NE 3.16Å; N367-Y665 WeakPolarHBondContact CB-OH 3.4Å
368	G	96.6	Very high	95.4	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-23.4	-173	0	0	0	0	0	114.2	A370 R659 R664 Y665	G368-A370 PolarHBondContact O-N 3Å; G368-R659 PolarHBondContact O-NE 3.47Å; G368-R659 PolarHBondContact O-NH2 2.9Å; G368-R664 WeakPolarHBondContact O-CA 3.3Å; G368-Y665 CarbonylContact C-O 3.43Å; G368-Y665 VanDerWaalsContact CA-CE1 3.41Å; G368-Y665 WeakPolarHBondContact CA-O 3.21Å; G368-Y665 PolarHBondContact O-N 2.7Å; G368-Y665 VanDerWaalsContact O-N 3.15Å
369	G	96.5	Very high	95.6	Very high	11 Å²	11	29.6 Å²	29.6	11%	0.113	16%	0.159	C	C	.	.	B	Isolated β-bridge	trans	68.2	24.7	173.2	0	0	0	0	0	116.2	Q365 Y665	Q365-G369 VanDerWaalsContact O-CA 3.31Å; Q365-G369 WeakPolarHBondContact O-CA 3.43Å; Q365-G369 PolarHBondContact O-N 3.4Å; G369-Y665 PolarHBondContact N-O 3.22Å
370	A	97.8	Very high	95.6	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.008	15%	0.154	C	C	.	.			trans	-88.8	158.3	160.5	0	0	0	0	0	110.7	Q365 G368 A411 H623 R664 Y665 A666	Q365-A370 PolarHBondContact N-O 2.89Å; G368-A370 PolarHBondContact O-N 3Å; A370-A411 HydrophobicContact CB-CB 3.92Å; A370-H623 HydrophobicContact CB-CB 4.17Å; A370-R664 HydrophobicContact CB-CB 4.18Å; A370-Y665 WeakPolarHBondContact CB-O 3.27Å; A370-Y665 PolarHBondContact N-O 2.79Å; A370-Y665 VanDerWaalsContact N-O 3.1Å; A370-A666 HydrophobicContact CB-CB 4.15Å
371	L	97.4	Very high	95.4	Very high	40 Å²	40	32.1 Å²	32.1	21%	0.209	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	145.3	176.4	-57.2	176.6	0	0	0	111.1	E362 E363 H364 Y410 A411	E362-L371 HydrophobicContact CG-CD2 4.2Å; E363-L371 CarbonylContact O-C 3.51Å; E363-L371 WeakPolarHBondContact O-CA 3.35Å; H364-L371 HydrophobicContact CB-CD2 3.98Å; L371-Y410 HydrophobicContact CB-CD1 3.75Å; L371-Y410 HydrophobicContact CB-CE1 4.17Å; L371-A411 PolarHBondContact O-N 2.84Å
372	V	98.3	Very high	95.2	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	136.3	173.8	-178.5	0	0	0	0	108.6	E363 H374 L412 I414 A666 I668	E363-V372 HydrophobicContact CB-CB 4.3Å; E363-V372 PolarHBondContact N-O 3.11Å; E363-V372 PolarHBondContact O-N 3.26Å; V372-H374 VanDerWaalsContact CG1-NE2 3.32Å; V372-H374 WeakPolarHBondContact CG1-NE2 3.35Å; V372-L412 WeakPolarHBondContact CA-O 3.29Å; V372-L412 HydrophobicContact CG1-CB 4.12Å; V372-L412 WeakPolarHBondContact CG1-O 3.26Å; V372-L412 HydrophobicContact CG2-CB 4.46Å; V372-I414 HydrophobicContact CG1-CD1 4.27Å; V372-A666 HydrophobicContact CG2-CB 3.44Å; V372-A666 VanDerWaalsContact CG2-CB 3.44Å; V372-I668 HydrophobicContact CG1-CG1 4.45Å; V372-I668 HydrophobicContact CG2-CD1 4.28Å; V372-I668 HydrophobicContact CG2-CG1 3.94Å
373	L	97.7	Very high	95.1	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	129.7	-179.3	-163	68.7	0	0	0	110.4	L350 I360 F395 L398 Y410 L412 A413 I414	L350-L373 HydrophobicContact CD2-CD1 4.32Å; I360-L373 HydrophobicContact CG2-CD1 3.51Å; I360-L373 HydrophobicContact CG2-CD2 4.38Å; I360-L373 HydrophobicContact CG2-CG 4.09Å; L373-F395 HydrophobicContact CD2-CD2 4.01Å; L373-F395 HydrophobicContact CD2-CE2 3.77Å; L373-F395 HydrophobicContact CD2-CZ 4.06Å; L373-F395 HydrophobicContact CG-CD2 4.39Å; L373-F395 HydrophobicContact CG-CE2 3.76Å; L373-F395 HydrophobicContact CG-CZ 4.13Å; L373-L398 HydrophobicContact CD2-CB 3.88Å; L373-Y410 HydrophobicContact CB-CD1 3.95Å; L373-Y410 HydrophobicContact CB-CE1 4.22Å; L373-Y410 HydrophobicContact CB-CG 4.14Å; L373-Y410 HydrophobicContact CD1-CD1 4.41Å; L373-Y410 HydrophobicContact CD1-CE1 3.82Å; L373-Y410 HydrophobicContact CD1-CE2 4.44Å; L373-Y410 HydrophobicContact CD2-CE2 4.45Å; L373-L412 PolarHBondContact N-O 3.41Å; L373-A413 HydrophobicContact CB-CB 3.87Å; L373-A413 CarbonylContact O-C 3.48Å; L373-A413 VanDerWaalsContact O-CA 3.26Å; L373-A413 WeakPolarHBondContact O-CA 3.23Å; L373-I414 PolarHBondContact O-N 2.97Å
374	H	97.8	Very high	95.1	Very high	4 Å²	4	37.3 Å²	37.3	2%	0.019	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	141.8	-178.6	-60	-103.3	0	0	0	111.7	I345 H361 E363 V372 Y376 I414 H416	I345-H374 HydrophobicContact CG2-CB 4Å; H361-H374 HydrophobicContact CB-CB 4.31Å; H361-H374 PolarHBondContact N-O 3.17Å; H361-H374 PolarHBondContact O-N 2.98Å; E363-H374 WeakPolarHBondContact CB-NE2 3.48Å; E363-H374 IonicContact OE2-NE2 3.67Å; V372-H374 VanDerWaalsContact CG1-NE2 3.32Å; V372-H374 WeakPolarHBondContact CG1-NE2 3.35Å; H374-Y376 HydrophobicContact CB-CE2 3.97Å; H374-I414 CarbonylContact C-O 3.53Å; H374-I414 WeakPolarHBondContact CA-O 3.41Å; H374-H416 AromaticContact CE1-NE2 3.81Å; H374-H416 AromaticContact ND1-CD2 3.79Å; H374-H416 AromaticContact ND1-NE2 2.99Å; H374-H416 PolarHBondContact ND1-NE2 3.05Å
375	A	97.2	Very high	95.1	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	158.4	159.7	0	0	0	0	0	109.1	F359 L380 F391 F395 I414 V415 H416	F359-A375 WeakPolarHBondContact O-CB 3.47Å; A375-L380 HydrophobicContact CB-CD1 4.14Å; A375-F391 HydrophobicContact CB-CE1 4.1Å; A375-F391 HydrophobicContact CB-CZ 3.73Å; A375-F395 HydrophobicContact CB-CD2 4.01Å; A375-F395 HydrophobicContact CB-CE2 3.61Å; A375-F395 HydrophobicContact CB-CZ 4.24Å; A375-I414 PolarHBondContact N-O 3.03Å; A375-V415 HydrophobicContact CB-CG1 4.19Å; A375-V415 HydrophobicContact CB-CG2 4.45Å; A375-V415 CarbonylContact O-C 3.52Å; A375-V415 WeakPolarHBondContact O-CA 3.31Å; A375-H416 PolarHBondContact O-N 2.87Å
376	Y	95.2	Very high	95.1	Very high	11 Å²	11	41.4 Å²	41.4	4%	0.043	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	126.3	-173.4	-61.2	-93.5	0	0	0	110.9	E342 I345 R346 H361 H374 D378 E379 L380 H416	E342-Y376 HydrophobicContact CG-CE1 4.2Å; I345-Y376 HydrophobicContact CG2-CE2 4.49Å; R346-Y376 HydrophobicContact CG-CD2 3.72Å; R346-Y376 HydrophobicContact CG-CE1 4.42Å; R346-Y376 HydrophobicContact CG-CE2 3.33Å; R346-Y376 HydrophobicContact CG-CG 4.43Å; R346-Y376 VanDerWaalsContact CZ-CD1 3.41Å; R346-Y376 VanDerWaalsContact CZ-CG 3.41Å; H361-Y376 AromaticContact CD2-CD2 3.7Å; H361-Y376 AromaticContact CD2-CE2 3.72Å; H374-Y376 HydrophobicContact CB-CE2 3.97Å; Y376-D378 VanDerWaalsContact CB-OD1 3.23Å; Y376-D378 WeakPolarHBondContact CB-OD1 3.44Å; Y376-D378 PolarHBondContact O-N 3.5Å; Y376-E379 PolarHBondContact O-N 3.21Å; Y376-E379 VanDerWaalsContact O-N 3.09Å; Y376-L380 WeakPolarHBondContact O-CG 3.48Å; Y376-L380 PolarHBondContact O-N 3.49Å; Y376-H416 HydrophobicContact CD1-CB 3.65Å; Y376-H416 AromaticContact CD1-CD2 3.63Å; Y376-H416 AromaticContact CD1-CG 3.91Å; Y376-H416 HydrophobicContact CE1-CB 4.07Å; Y376-H416 AromaticContact CE1-CD2 3.22Å; Y376-H416 WeakPolarHBondContact CE1-CD2 3.29Å; Y376-H416 AromaticContact CE1-CG 3.8Å; Y376-H416 AromaticContact CE1-NE2 3.97Å; Y376-H416 HydrophobicContact CG-CB 4.42Å; Y376-H416 AromaticContact CZ-CD2 3.67Å
377	M	94.5	Very high	95.3	Very high	64 Å²	64	38.8 Å²	38.8	32%	0.315	21%	0.214	S	C	.	.	H	α-helix	trans	-66.5	-22.3	-173.5	-166.7	63.5	-163.6	0	0	113.2	L380 S381 M388 H416 A418	M377-L380 HydrophobicContact SD-CB 4.25Å; M377-S381 WeakPolarHBondContact O-CB 3.48Å; M377-S381 PolarHBondContact O-N 3.17Å; M377-M388 HydrophobicContact CE-CE 3.76Å; M377-M388 HydrophobicContact SD-CE 4.3Å; M377-H416 VanDerWaalsContact CB-O 3.23Å; M377-H416 WeakPolarHBondContact CB-O 3.36Å; M377-H416 PolarHBondContact N-O 3.3Å; M377-A418 HydrophobicContact SD-CB 4.45Å
378	D	91.4	Very high	95.3	Very high	43 Å²	43	35.6 Å²	35.6	23%	0.23	20%	0.197	C	C	.	.	H	α-helix	trans	-65.7	-42.4	171.7	60.1	-4.4	0	0	0	111.8	T335 R346 Y376 S381 F382	T335-D378 PolarHBondContact OG1-OD2 3.29Å; R346-D378 IonicContact CZ-OD1 3.79Å; R346-D378 IonicContact CZ-OD2 2.7Å; R346-D378 IonicContact NH1-OD1 3.81Å; R346-D378 PolarHBondContact NH1-OD1 3Å; R346-D378 IonicContact NH1-OD2 3.88Å; R346-D378 PolarHBondContact NH1-OD2 2.61Å; R346-D378 IonicContact NH2-OD1 2.73Å; R346-D378 PolarHBondContact NH2-OD1 2.61Å; R346-D378 IonicContact NH2-OD2 3.68Å; R346-D378 PolarHBondContact NH2-OD2 3.07Å; Y376-D378 VanDerWaalsContact CB-OD1 3.23Å; Y376-D378 WeakPolarHBondContact CB-OD1 3.44Å; Y376-D378 PolarHBondContact O-N 3.5Å; D378-S381 PolarHBondContact O-OG 3.3Å; D378-F382 WeakPolarHBondContact O-CD2 3.37Å; D378-F382 WeakPolarHBondContact O-CE2 3.23Å
379	E	92.8	Very high	95.3	Very high	5 Å²	5	40.2 Å²	40.2	2%	0.023	22%	0.219	C	C	.	.	H	α-helix	trans	-71.2	-41.5	173.1	-63.5	169.9	-172.2	0	0	112.3	V333 R346 F359 H361 Y376 S381	V333-E379 HydrophobicContact CG2-CG 4.36Å; R346-E379 WeakPolarHBondContact CD-OE1 3.36Å; R346-E379 IonicContact CZ-OE1 3.95Å; R346-E379 IonicContact NE-OE1 2.71Å; R346-E379 VanDerWaalsContact NH1-CD 3.3Å; R346-E379 IonicContact NH1-OE1 3.23Å; R346-E379 PolarHBondContact NH1-OE1 2.87Å; F359-E379 HydrophobicContact CD1-CB 3.92Å; F359-E379 HydrophobicContact CE1-CB 4.31Å; F359-E379 WeakPolarHBondContact CE1-O 3.38Å; H361-E379 IonicContact CD2-OE2 2.8Å; H361-E379 IonicContact CE1-OE2 3.71Å; H361-E379 IonicContact NE2-OE1 2.78Å; H361-E379 IonicContact NE2-OE2 2.75Å; H361-E379 PolarHBondContact NE2-OE2 2.82Å; Y376-E379 PolarHBondContact O-N 3.21Å; Y376-E379 VanDerWaalsContact O-N 3.09Å; E379-S381 VanDerWaalsContact C-N 3.26Å; E379-S381 PolarHBondContact O-N 3.43Å
380	L	94.1	Very high	95.3	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-69.3	-21.7	-179.7	-62.5	176.5	0	0	0	113.4	F359 A375 Y376 M377 F382 L383 M388 F391 V415 F503	F359-L380 HydrophobicContact CB-CD2 3.83Å; F359-L380 HydrophobicContact CD1-CD2 4.33Å; F359-L380 HydrophobicContact CG-CD2 4.22Å; A375-L380 HydrophobicContact CB-CD1 4.14Å; Y376-L380 WeakPolarHBondContact O-CG 3.48Å; Y376-L380 PolarHBondContact O-N 3.49Å; M377-L380 HydrophobicContact SD-CB 4.25Å; L380-F382 PolarHBondContact O-N 2.83Å; L380-L383 HydrophobicContact CD2-CD1 3.84Å; L380-L383 WeakPolarHBondContact O-CB 3.36Å; L380-L383 PolarHBondContact O-N 3.2Å; L380-M388 HydrophobicContact CB-CE 3.82Å; L380-M388 HydrophobicContact CB-SD 4.04Å; L380-M388 HydrophobicContact CD1-SD 4.33Å; L380-M388 WeakPolarHBondContact O-CE 3.21Å; L380-F391 HydrophobicContact CD1-CD1 4.1Å; L380-F391 HydrophobicContact CD1-CE1 3.65Å; L380-F391 HydrophobicContact CD1-CZ 4.23Å; L380-F391 HydrophobicContact CD2-CD1 3.73Å; L380-F391 HydrophobicContact CD2-CD2 3.84Å; L380-F391 HydrophobicContact CD2-CE1 3.55Å; L380-F391 HydrophobicContact CD2-CE2 3.67Å; L380-F391 HydrophobicContact CD2-CG 3.9Å; L380-F391 HydrophobicContact CD2-CZ 3.53Å; L380-F391 HydrophobicContact CG-CE1 4.26Å; L380-F391 HydrophobicContact CG-CZ 4.48Å; L380-V415 HydrophobicContact CD1-CG1 3.81Å; L380-F503 HydrophobicContact CD1-CZ 3.99Å
381	S	91.6	Very high	95.3	Very high	75 Å²	75	45.7 Å²	45.7	52%	0.524	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-13.7	178.7	71.9	0	0	0	0	114.8	M377 D378 E379	M377-S381 WeakPolarHBondContact O-CB 3.48Å; M377-S381 PolarHBondContact O-N 3.17Å; D378-S381 PolarHBondContact O-OG 3.3Å; E379-S381 VanDerWaalsContact C-N 3.26Å; E379-S381 PolarHBondContact O-N 3.43Å
382	F	89.8	Confident	95.4	Very high	109 Å²	109	43.8 Å²	43.8	48%	0.478	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-7.8	177	-66.6	-92.6	0	0	0	114.1	Q331 V333 D378 L380	Q331-F382 WeakPolarHBondContact O-CD1 3.39Å; Q331-F382 WeakPolarHBondContact O-CE1 3.22Å; Q331-F382 WeakPolarHBondContact O-CZ 3.4Å; V333-F382 HydrophobicContact CG2-CD2 4.13Å; V333-F382 HydrophobicContact CG2-CE2 3.51Å; V333-F382 HydrophobicContact CG2-CZ 4.24Å; D378-F382 WeakPolarHBondContact O-CD2 3.37Å; D378-F382 WeakPolarHBondContact O-CE2 3.23Å; L380-F382 PolarHBondContact O-N 2.83Å
383	L	93.3	Very high	95.3	Very high	24 Å²	24	49.2 Å²	49.2	13%	0.126	25%	0.251	C	S	.	.	S	Bend	trans	-79.9	139.7	174.5	-59.7	-177.7	0	0	0	110.8	F356 F359 L380 E387 F391	F356-L383 HydrophobicContact CD1-CD1 4.35Å; F356-L383 HydrophobicContact CD1-CD2 4.42Å; F356-L383 HydrophobicContact CE1-CD1 4.12Å; F356-L383 HydrophobicContact CE1-CD2 4.11Å; F359-L383 HydrophobicContact CD2-CD2 4.47Å; F359-L383 HydrophobicContact CE2-CD2 3.91Å; F359-L383 HydrophobicContact CZ-CD2 4.09Å; L380-L383 HydrophobicContact CD2-CD1 3.84Å; L380-L383 WeakPolarHBondContact O-CB 3.36Å; L380-L383 PolarHBondContact O-N 3.2Å; L383-E387 HydrophobicContact CB-CB 4.03Å; L383-E387 HydrophobicContact CD2-CB 4.39Å; L383-F391 HydrophobicContact CD1-CB 3.79Å; L383-F391 HydrophobicContact CD1-CD2 4.22Å; L383-F391 HydrophobicContact CD1-CG 3.98Å
384	S	95.4	Very high	95.3	Very high	54 Å²	54	50.8 Å²	50.8	38%	0.378	26%	0.258	S	S	.	.			trans	-68.3	159.6	167.5	66.9	0	0	0	0	111.1	M386 E387 M388	S384-M386 VanDerWaalsContact C-N 3.32Å; S384-M386 PolarHBondContact O-N 2.93Å; S384-E387 WeakPolarHBondContact CB-OE2 3.38Å; S384-E387 PolarHBondContact N-OE2 3.36Å; S384-E387 VanDerWaalsContact N-OE2 3.09Å; S384-E387 CarbonylContact O-C 3.49Å; S384-E387 WeakPolarHBondContact O-CA 3.23Å; S384-E387 WeakPolarHBondContact O-CB 3.4Å; S384-E387 PolarHBondContact O-N 2.77Å; S384-E387 VanDerWaalsContact OG-CD 3.29Å; S384-E387 VanDerWaalsContact OG-CG 3.29Å; S384-E387 WeakPolarHBondContact OG-CG 3.29Å; S384-E387 PolarHBondContact OG-OE2 2.83Å; S384-M388 PolarHBondContact O-N 3Å
385	P	95.1	Very high	95.3	Very high	109 Å²	109	50.6 Å²	50.6	71%	0.708	26%	0.257	S	S	*	.	H	α-helix	trans	-54.6	-41.7	-175.1	-29.7	36.6	0	0	0	114.5	E387 M388 E389	P385-E387 PolarHBondContact O-N 3.47Å; P385-M388 WeakPolarHBondContact O-CB 3.21Å; P385-M388 PolarHBondContact O-N 2.96Å; P385-E389 PolarHBondContact O-N 2.92Å
386	M	96.1	Very high	95.3	Very high	118 Å²	118	50.7 Å²	50.7	58%	0.581	26%	0.258	S	S	*	.	H	α-helix	trans	-67.2	-22.5	176.1	-161.5	-163.7	-156.5	0	0	113.1	S384 R390	S384-M386 VanDerWaalsContact C-N 3.32Å; S384-M386 PolarHBondContact O-N 2.93Å; M386-R390 WeakPolarHBondContact O-CG 3.47Å
387	E	96.2	Very high	95.4	Very high	57 Å²	57	53.1 Å²	53.1	27%	0.266	28%	0.28	S	S	.	.	H	α-helix	trans	-85.7	-34	174.2	-64.8	175.5	117.3	0	0	111.5	K355 F356 L383 S384 P385 R390 F391	K355-E387 IonicContact NZ-OE1 2.66Å; K355-E387 PolarHBondContact NZ-OE1 2.96Å; F356-E387 HydrophobicContact CE1-CB 4.12Å; F356-E387 WeakPolarHBondContact CE1-O 3.42Å; F356-E387 HydrophobicContact CZ-CB 4.17Å; F356-E387 WeakPolarHBondContact CZ-O 3.41Å; L383-E387 HydrophobicContact CB-CB 4.03Å; L383-E387 HydrophobicContact CD2-CB 4.39Å; S384-E387 WeakPolarHBondContact CB-OE2 3.38Å; S384-E387 PolarHBondContact N-OE2 3.36Å; S384-E387 VanDerWaalsContact N-OE2 3.09Å; S384-E387 CarbonylContact O-C 3.49Å; S384-E387 WeakPolarHBondContact O-CA 3.23Å; S384-E387 WeakPolarHBondContact O-CB 3.4Å; S384-E387 PolarHBondContact O-N 2.77Å; S384-E387 VanDerWaalsContact OG-CD 3.29Å; S384-E387 VanDerWaalsContact OG-CG 3.29Å; S384-E387 WeakPolarHBondContact OG-CG 3.29Å; S384-E387 PolarHBondContact OG-OE2 2.83Å; P385-E387 PolarHBondContact O-N 3.47Å; E387-R390 PolarHBondContact O-N 2.99Å; E387-F391 WeakPolarHBondContact O-CB 3.35Å; E387-F391 PolarHBondContact O-N 3.45Å
388	M	96.6	Very high	95.5	Very high	22 Å²	22	51.9 Å²	51.9	11%	0.108	27%	0.274	C	S	.	.	H	α-helix	trans	-62.1	-44.1	170.1	-171.7	74.1	71.3	0	0	111	M377 L380 S384 P385 R390 F391 S392 P502 F503	M377-M388 HydrophobicContact CE-CE 3.76Å; M377-M388 HydrophobicContact SD-CE 4.3Å; L380-M388 HydrophobicContact CB-CE 3.82Å; L380-M388 HydrophobicContact CB-SD 4.04Å; L380-M388 HydrophobicContact CD1-SD 4.33Å; L380-M388 WeakPolarHBondContact O-CE 3.21Å; S384-M388 PolarHBondContact O-N 3Å; P385-M388 WeakPolarHBondContact O-CB 3.21Å; P385-M388 PolarHBondContact O-N 2.96Å; M388-R390 PolarHBondContact O-N 2.77Å; M388-F391 WeakPolarHBondContact O-CB 3.39Å; M388-F391 PolarHBondContact O-N 3Å; M388-S392 WeakPolarHBondContact O-CB 3.48Å; M388-S392 PolarHBondContact O-N 3Å; M388-S392 PolarHBondContact O-OG 3.28Å; M388-P502 HydrophobicContact CG-CG 3.72Å; M388-F503 HydrophobicContact SD-CE2 4.27Å; M388-F503 HydrophobicContact SD-CZ 4.46Å
389	E	96.8	Very high	95.8	Very high	98 Å²	98	49.8 Å²	49.8	46%	0.458	26%	0.263	S	S	.	.	H	α-helix	trans	-56.6	-52.5	175.2	-72.7	178.6	141.9	0	0	111.5	P385 F391 S392 E393 P502	P385-E389 PolarHBondContact O-N 2.92Å; E389-F391 VanDerWaalsContact C-N 3.34Å; E389-F391 PolarHBondContact O-N 3.39Å; E389-S392 WeakPolarHBondContact O-CB 3.43Å; E389-S392 PolarHBondContact O-N 3.42Å; E389-E393 WeakPolarHBondContact O-CG 3.48Å; E389-E393 PolarHBondContact O-N 3.09Å; E389-P502 HydrophobicContact CG-CB 4.37Å
390	R	96.9	Very high	96	Very high	127 Å²	127	49.7 Å²	49.7	48%	0.479	26%	0.263	S	S	.	.	H	α-helix	trans	-66.8	-32	178.6	-66.7	177.2	-175.3	-166.7	2.7	113.7	F356 M386 E387 M388 E393 E394	F356-R390 HydrophobicContact CE2-CB 3.76Å; F356-R390 HydrophobicContact CZ-CB 3.93Å; M386-R390 WeakPolarHBondContact O-CG 3.47Å; E387-R390 PolarHBondContact O-N 2.99Å; M388-R390 PolarHBondContact O-N 2.77Å; R390-E393 PolarHBondContact O-N 3.38Å; R390-E394 PolarHBondContact O-N 3.34Å; R390-E394 VanDerWaalsContact O-N 3.11Å
391	F	97.7	Very high	96.1	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-63	-47.4	171.4	173.7	-87.6	0	0	0	110.2	F356 F359 I360 A375 L380 L383 E387 M388 E389 E393 E394 F395 F503	F356-F391 HydrophobicContact CB-CD2 3.89Å; F356-F391 HydrophobicContact CB-CE2 4.43Å; F356-F391 HydrophobicContact CD1-CB 4Å; F356-F391 AromaticContact CD1-CD2 3.87Å; F356-F391 HydrophobicContact CD1-CD2 3.87Å; F356-F391 HydrophobicContact CD1-CG 4.45Å; F356-F391 HydrophobicContact CE1-CB 3.96Å; F356-F391 HydrophobicContact CG-CB 4.34Å; F356-F391 AromaticContact CG-CD2 3.99Å; F356-F391 HydrophobicContact CG-CD2 3.99Å; F356-F391 HydrophobicContact CZ-CB 4.25Å; F359-F391 HydrophobicContact CB-CD2 4.27Å; F359-F391 HydrophobicContact CB-CE2 3.63Å; F359-F391 HydrophobicContact CB-CZ 4.34Å; I360-F391 HydrophobicContact CD1-CE2 4.06Å; I360-F391 HydrophobicContact CG1-CE2 3.52Å; I360-F391 HydrophobicContact CG1-CZ 3.9Å; A375-F391 HydrophobicContact CB-CE1 4.1Å; A375-F391 HydrophobicContact CB-CZ 3.73Å; L380-F391 HydrophobicContact CD1-CD1 4.1Å; L380-F391 HydrophobicContact CD1-CE1 3.65Å; L380-F391 HydrophobicContact CD1-CZ 4.23Å; L380-F391 HydrophobicContact CD2-CD1 3.73Å; L380-F391 HydrophobicContact CD2-CD2 3.84Å; L380-F391 HydrophobicContact CD2-CE1 3.55Å; L380-F391 HydrophobicContact CD2-CE2 3.67Å; L380-F391 HydrophobicContact CD2-CG 3.9Å; L380-F391 HydrophobicContact CD2-CZ 3.53Å; L380-F391 HydrophobicContact CG-CE1 4.26Å; L380-F391 HydrophobicContact CG-CZ 4.48Å; L383-F391 HydrophobicContact CD1-CB 3.79Å; L383-F391 HydrophobicContact CD1-CD2 4.22Å; L383-F391 HydrophobicContact CD1-CG 3.98Å; E387-F391 WeakPolarHBondContact O-CB 3.35Å; E387-F391 PolarHBondContact O-N 3.45Å; M388-F391 WeakPolarHBondContact O-CB 3.39Å; M388-F391 PolarHBondContact O-N 3Å; E389-F391 VanDerWaalsContact C-N 3.34Å; E389-F391 PolarHBondContact O-N 3.39Å; F391-E393 VanDerWaalsContact C-N 3.29Å; F391-E393 PolarHBondContact O-N 3.33Å; F391-E394 PolarHBondContact O-N 2.79Å; F391-F395 HydrophobicContact CD1-CB 4.4Å; F391-F395 HydrophobicContact CE1-CB 3.86Å; F391-F395 HydrophobicContact CE1-CD2 4.13Å; F391-F395 HydrophobicContact CE1-CG 4.11Å; F391-F395 HydrophobicContact CZ-CB 4.08Å; F391-F395 AromaticContact CZ-CD2 3.84Å; F391-F395 HydrophobicContact CZ-CD2 3.84Å; F391-F395 HydrophobicContact CZ-CG 4.23Å; F391-F395 VanDerWaalsContact O-CB 3.29Å; F391-F395 WeakPolarHBondContact O-CB 3.2Å; F391-F395 PolarHBondContact O-N 2.69Å; F391-F503 AromaticContact CD1-CE1 3.95Å; F391-F503 HydrophobicContact CD1-CE1 3.95Å; F391-F503 AromaticContact CD1-CZ 3.72Å; F391-F503 HydrophobicContact CD1-CZ 3.72Å; F391-F503 AromaticContact CE1-CE1 3.83Å; F391-F503 HydrophobicContact CE1-CE1 3.83Å; F391-F503 AromaticContact CE1-CZ 3.73Å; F391-F503 HydrophobicContact CE1-CZ 3.73Å
392	S	98.1	Very high	96.3	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-61.7	-37.2	177.5	-61.2	0	0	0	0	111.7	M388 E389 L396 F503	M388-S392 WeakPolarHBondContact O-CB 3.48Å; M388-S392 PolarHBondContact O-N 3Å; M388-S392 PolarHBondContact O-OG 3.28Å; E389-S392 WeakPolarHBondContact O-CB 3.43Å; E389-S392 PolarHBondContact O-N 3.42Å; S392-L396 VanDerWaalsContact O-CB 3.26Å; S392-L396 WeakPolarHBondContact O-CB 3.17Å; S392-L396 WeakPolarHBondContact O-CG 3.29Å; S392-L396 PolarHBondContact O-N 2.68Å; S392-F503 WeakPolarHBondContact OG-CD1 3.24Å; S392-F503 WeakPolarHBondContact OG-CE1 3.46Å; S392-F503 WeakPolarHBondContact OG-CE2 3.28Å; S392-F503 VanDerWaalsContact OG-CZ 3.23Å; S392-F503 WeakPolarHBondContact OG-CZ 3.26Å
393	E	97.1	Very high	96.5	Very high	113 Å²	113	45.6 Å²	45.6	53%	0.528	24%	0.241	S	C	.	.	H	α-helix	trans	-60.6	-50.6	173	-69.8	174.3	148.8	0	0	111.7	E389 R390 F391 A397 M506	E389-E393 WeakPolarHBondContact O-CG 3.48Å; E389-E393 PolarHBondContact O-N 3.09Å; R390-E393 PolarHBondContact O-N 3.38Å; F391-E393 VanDerWaalsContact C-N 3.29Å; F391-E393 PolarHBondContact O-N 3.33Å; E393-A397 VanDerWaalsContact O-CB 3.26Å; E393-A397 WeakPolarHBondContact O-CB 3.21Å; E393-A397 PolarHBondContact O-N 2.88Å; E393-M506 HydrophobicContact CG-CE 4.06Å; E393-M506 HydrophobicContact CG-SD 3.9Å
394	E	96.8	Very high	96.4	Very high	34 Å²	34	53.9 Å²	53.9	16%	0.159	28%	0.279	C	S	.	.	H	α-helix	trans	-64.2	-45.4	178.4	-175.1	176.2	152.5	0	0	112	T352 T354 F356 I360 R390 F391 L396 A397 L398	T352-E394 WeakPolarHBondContact CB-OE1 3.44Å; T352-E394 WeakPolarHBondContact CG2-OE1 3.15Å; T352-E394 PolarHBondContact OG1-OE1 3.16Å; T354-E394 VanDerWaalsContact CB-OE2 3.23Å; T354-E394 WeakPolarHBondContact CB-OE2 3.41Å; T354-E394 WeakPolarHBondContact CG2-OE1 3.41Å; T354-E394 WeakPolarHBondContact CG2-OE2 3.38Å; T354-E394 PolarHBondContact OG1-OE1 3.48Å; T354-E394 PolarHBondContact OG1-OE2 2.75Å; F356-E394 WeakPolarHBondContact CD2-OE2 3.45Å; I360-E394 HydrophobicContact CD1-CG 4.17Å; R390-E394 PolarHBondContact O-N 3.34Å; R390-E394 VanDerWaalsContact O-N 3.11Å; F391-E394 PolarHBondContact O-N 2.79Å; E394-L396 PolarHBondContact O-N 3.15Å; E394-A397 PolarHBondContact O-N 3.42Å; E394-L398 HydrophobicContact CG-CD1 4.12Å; E394-L398 WeakPolarHBondContact O-CG 3.46Å; E394-L398 PolarHBondContact O-N 2.94Å
395	F	98.2	Very high	96.2	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-63.7	-41.8	-179.3	-174.7	-89.4	0	0	0	112.2	I360 L373 A375 F391 L398 T399 A413 V415 F503 F677	I360-F395 HydrophobicContact CG1-CD2 4.38Å; I360-F395 HydrophobicContact CG2-CD2 4.38Å; L373-F395 HydrophobicContact CD2-CD2 4.01Å; L373-F395 HydrophobicContact CD2-CE2 3.77Å; L373-F395 HydrophobicContact CD2-CZ 4.06Å; L373-F395 HydrophobicContact CG-CD2 4.39Å; L373-F395 HydrophobicContact CG-CE2 3.76Å; L373-F395 HydrophobicContact CG-CZ 4.13Å; A375-F395 HydrophobicContact CB-CD2 4.01Å; A375-F395 HydrophobicContact CB-CE2 3.61Å; A375-F395 HydrophobicContact CB-CZ 4.24Å; F391-F395 HydrophobicContact CD1-CB 4.4Å; F391-F395 HydrophobicContact CE1-CB 3.86Å; F391-F395 HydrophobicContact CE1-CD2 4.13Å; F391-F395 HydrophobicContact CE1-CG 4.11Å; F391-F395 HydrophobicContact CZ-CB 4.08Å; F391-F395 AromaticContact CZ-CD2 3.84Å; F391-F395 HydrophobicContact CZ-CD2 3.84Å; F391-F395 HydrophobicContact CZ-CG 4.23Å; F391-F395 VanDerWaalsContact O-CB 3.29Å; F391-F395 WeakPolarHBondContact O-CB 3.2Å; F391-F395 PolarHBondContact O-N 2.69Å; F395-L398 PolarHBondContact O-N 2.73Å; F395-T399 WeakPolarHBondContact CE1-OG1 3.48Å; F395-T399 VanDerWaalsContact O-CB 3.29Å; F395-T399 WeakPolarHBondContact O-CB 3.23Å; F395-T399 PolarHBondContact O-N 2.82Å; F395-T399 PolarHBondContact O-OG1 3.42Å; F395-A413 HydrophobicContact CE1-CB 4.09Å; F395-A413 HydrophobicContact CZ-CB 4.12Å; F395-V415 HydrophobicContact CD1-CG2 4.04Å; F395-V415 HydrophobicContact CE1-CG2 3.52Å; F395-V415 HydrophobicContact CZ-CG2 3.83Å; F395-F503 HydrophobicContact CB-CE1 4.42Å; F395-F503 HydrophobicContact CD1-CD1 4.45Å; F395-F503 HydrophobicContact CD1-CE1 4.2Å; F395-F503 HydrophobicContact CG-CE1 4.43Å; F395-F677 HydrophobicContact CE1-CD2 4.43Å; F395-F677 HydrophobicContact CE1-CE2 4.42Å
396	L	98.2	Very high	96.1	Very high	2 Å²	2	58 Å²	58	1%	0.01	28%	0.284	C	S	.	.	H	α-helix	trans	-74.2	-35.4	178.2	-68	173	0	0	0	112.3	S392 E394 L398 T399 F400 M506 T507 L513 F677	S392-L396 VanDerWaalsContact O-CB 3.26Å; S392-L396 WeakPolarHBondContact O-CB 3.17Å; S392-L396 WeakPolarHBondContact O-CG 3.29Å; S392-L396 PolarHBondContact O-N 2.68Å; E394-L396 PolarHBondContact O-N 3.15Å; L396-L398 VanDerWaalsContact C-N 3.31Å; L396-L398 PolarHBondContact O-N 2.9Å; L396-T399 WeakPolarHBondContact O-CB 3.41Å; L396-T399 PolarHBondContact O-N 3.1Å; L396-F400 HydrophobicContact CD2-CE2 4.05Å; L396-F400 WeakPolarHBondContact O-CD2 3.12Å; L396-F400 PolarHBondContact O-N 3.34Å; L396-M506 HydrophobicContact CD1-CB 4.05Å; L396-M506 HydrophobicContact CD1-CE 4.01Å; L396-T507 HydrophobicContact CD1-CG2 3.64Å; L396-T507 HydrophobicContact CD2-CG2 3.86Å; L396-T507 HydrophobicContact CG-CG2 4.37Å; L396-L513 HydrophobicContact CB-CD1 4.13Å; L396-L513 HydrophobicContact CD1-CD1 3.95Å; L396-F677 HydrophobicContact CD2-CD1 3.93Å; L396-F677 HydrophobicContact CD2-CD2 4.47Å; L396-F677 HydrophobicContact CD2-CE1 3.73Å; L396-F677 HydrophobicContact CD2-CE2 4.3Å; L396-F677 HydrophobicContact CD2-CG 4.32Å; L396-F677 HydrophobicContact CD2-CZ 3.94Å
397	A	96.9	Very high	96	Very high	61 Å²	61	52.7 Å²	52.7	50%	0.504	26%	0.258	S	S	.	.	H	α-helix	trans	-61.4	-39.5	172.2	0	0	0	0	0	111.9	E393 E394 S401	E393-A397 VanDerWaalsContact O-CB 3.26Å; E393-A397 WeakPolarHBondContact O-CB 3.21Å; E393-A397 PolarHBondContact O-N 2.88Å; E394-A397 PolarHBondContact O-N 3.42Å; A397-S401 WeakPolarHBondContact O-CB 3.44Å; A397-S401 PolarHBondContact O-N 3.12Å; A397-S401 VanDerWaalsContact O-N 3.14Å
398	L	96.4	Very high	96.1	Very high	38 Å²	38	50 Å²	50	20%	0.199	25%	0.246	C	C	.	.	H	α-helix	trans	-68.9	-48.4	172.5	-72.4	165.2	0	0	0	111.8	L350 T352 I360 L373 E394 F395 L396 F400 S401 Y410	L350-L398 HydrophobicContact CD2-CD1 4.14Å; L350-L398 HydrophobicContact CD2-CD2 4.42Å; T352-L398 HydrophobicContact CG2-CD1 3.73Å; I360-L398 HydrophobicContact CD1-CD1 3.84Å; I360-L398 HydrophobicContact CG2-CD1 4.31Å; L373-L398 HydrophobicContact CD2-CB 3.88Å; E394-L398 HydrophobicContact CG-CD1 4.12Å; E394-L398 WeakPolarHBondContact O-CG 3.46Å; E394-L398 PolarHBondContact O-N 2.94Å; F395-L398 PolarHBondContact O-N 2.73Å; L396-L398 VanDerWaalsContact C-N 3.31Å; L396-L398 PolarHBondContact O-N 2.9Å; L398-F400 VanDerWaalsContact C-N 3.27Å; L398-F400 PolarHBondContact O-N 3.4Å; L398-S401 WeakPolarHBondContact O-CB 3.39Å; L398-S401 PolarHBondContact O-N 3.39Å; L398-S401 PolarHBondContact O-OG 2.96Å; L398-Y410 HydrophobicContact CB-CE2 4.46Å; L398-Y410 WeakPolarHBondContact O-CD2 3.32Å; L398-Y410 WeakPolarHBondContact O-CE2 3.41Å
399	T	97.8	Very high	96.1	Very high	0 Å²	0	54 Å²	54	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-49.5	-47.1	179.1	-68.4	0	0	0	0	112.2	F395 L396 A413 F677 P679	F395-T399 WeakPolarHBondContact CE1-OG1 3.48Å; F395-T399 VanDerWaalsContact O-CB 3.29Å; F395-T399 WeakPolarHBondContact O-CB 3.23Å; F395-T399 PolarHBondContact O-N 2.82Å; F395-T399 PolarHBondContact O-OG1 3.42Å; L396-T399 WeakPolarHBondContact O-CB 3.41Å; L396-T399 PolarHBondContact O-N 3.1Å; T399-A413 HydrophobicContact CG2-CB 3.51Å; T399-A413 VanDerWaalsContact OG1-CB 3.26Å; T399-A413 WeakPolarHBondContact OG1-CB 3.41Å; T399-F677 HydrophobicContact CG2-CB 3.6Å; T399-F677 HydrophobicContact CG2-CG 4.21Å; T399-P679 WeakPolarHBondContact O-CG 3.44Å
400	F	97.8	Very high	96.2	Very high	3 Å²	3	50 Å²	50	1%	0.013	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100	12.4	-178.1	-55.8	-61.2	0	0	0	113.6	L396 L398 E402 T507 A596 F677 P679 L701 Q703	L396-F400 HydrophobicContact CD2-CE2 4.05Å; L396-F400 WeakPolarHBondContact O-CD2 3.12Å; L396-F400 PolarHBondContact O-N 3.34Å; L398-F400 VanDerWaalsContact C-N 3.27Å; L398-F400 PolarHBondContact O-N 3.4Å; F400-E402 PolarHBondContact O-N 3.37Å; F400-T507 HydrophobicContact CE2-CG2 4.2Å; F400-A596 HydrophobicContact CD1-CB 4.18Å; F400-A596 HydrophobicContact CE1-CB 3.74Å; F400-A596 HydrophobicContact CZ-CB 4.47Å; F400-F677 HydrophobicContact CE1-CB 4.27Å; F400-F677 HydrophobicContact CZ-CB 4.06Å; F400-F677 HydrophobicContact CZ-CD1 4.07Å; F400-F677 HydrophobicContact CZ-CG 4.43Å; F400-P679 HydrophobicContact CD1-CB 4.24Å; F400-P679 HydrophobicContact CD1-CG 4.13Å; F400-L701 HydrophobicContact CB-CD1 3.73Å; F400-L701 HydrophobicContact CD1-CD1 3.51Å; F400-L701 HydrophobicContact CD2-CD1 3.61Å; F400-L701 HydrophobicContact CD2-CD2 4.17Å; F400-L701 HydrophobicContact CE1-CD1 3.93Å; F400-L701 HydrophobicContact CE2-CD1 4Å; F400-L701 HydrophobicContact CE2-CD2 4.25Å; F400-L701 HydrophobicContact CG-CD1 3.33Å; F400-L701 HydrophobicContact CZ-CD1 4.15Å; F400-Q703 PolarHBondContact O-NE2 2.81Å
401	S	96.2	Very high	96.2	Very high	30 Å²	30	43.9 Å²	43.9	21%	0.21	22%	0.218	C	C	.	.			trans	-66.4	133.9	176.7	61.5	0	0	0	0	111.3	A397 L398 A408 Y409	A397-S401 WeakPolarHBondContact O-CB 3.44Å; A397-S401 PolarHBondContact O-N 3.12Å; A397-S401 VanDerWaalsContact O-N 3.14Å; L398-S401 WeakPolarHBondContact O-CB 3.39Å; L398-S401 PolarHBondContact O-N 3.39Å; L398-S401 PolarHBondContact O-OG 2.96Å; S401-A408 WeakPolarHBondContact O-CA 3.33Å; S401-Y409 WeakPolarHBondContact O-CD2 3.32Å; S401-Y409 PolarHBondContact O-N 2.97Å; S401-Y409 VanDerWaalsContact O-N 3.16Å; S401-Y409 WeakPolarHBondContact OG-CD2 3.3Å
402	E	95.8	Very high	96.3	Very high	43 Å²	43	43.9 Å²	43.9	20%	0.201	22%	0.218	C	C	.	.	B	Isolated β-bridge	trans	-114.3	153.6	179.5	-62.6	-170.5	161.2	0	0	111.8	F400 N406 A407 Y409 R680 Y704	F400-E402 PolarHBondContact O-N 3.37Å; E402-N406 WeakPolarHBondContact OE2-CA 3.49Å; E402-A407 CarbonylContact C-O 3.54Å; E402-A407 WeakPolarHBondContact CA-O 3.39Å; E402-Y409 VanDerWaalsContact C-CE2 3.43Å; E402-Y409 WeakPolarHBondContact O-CE2 3.26Å; E402-R680 WeakPolarHBondContact OE1-CG 3.3Å; E402-R680 IonicContact OE1-CZ 2.75Å; E402-R680 IonicContact OE1-NE 3.21Å; E402-R680 PolarHBondContact OE1-NE 2.93Å; E402-R680 IonicContact OE1-NH2 3.92Å; E402-R680 PolarHBondContact OE1-NH2 2.88Å; E402-R680 IonicContact OE2-CZ 3.43Å; E402-R680 IonicContact OE2-NE 3.73Å; E402-R680 IonicContact OE2-NH2 2.68Å; E402-R680 PolarHBondContact OE2-NH2 3.16Å; E402-Y704 HydrophobicContact CG-CE1 4.35Å; E402-Y704 WeakPolarHBondContact OE1-CE1 3.32Å
403	N	93.8	Very high	96.3	Very high	24 Å²	24	43.9 Å²	43.9	13%	0.128	22%	0.218	C	C	.	.			trans	-86.4	178.7	173.6	77.6	9.5	0	0	0	112.2	K405 N406 A407 Y409 E625	N403-K405 PolarHBondContact O-N 3.48Å; N403-K405 WeakPolarHBondContact OD1-CA 3.44Å; N403-K405 WeakPolarHBondContact OD1-CB 3.34Å; N403-K405 PolarHBondContact OD1-N 3.36Å; N403-N406 PolarHBondContact O-N 2.87Å; N403-A407 PolarHBondContact N-O 2.89Å; N403-A407 PolarHBondContact OD1-N 2.92Å; N403-A407 PolarHBondContact OD1-O 2.79Å; N403-Y409 WeakPolarHBondContact CA-OH 3.26Å; N403-Y409 HydrophobicContact CB-CD1 4.43Å; N403-Y409 HydrophobicContact CB-CE1 3.7Å; N403-Y409 HydrophobicContact CB-CE2 4.08Å; N403-Y409 VanDerWaalsContact CB-CZ 3.5Å; N403-Y409 WeakPolarHBondContact CB-OH 3.35Å; N403-E625 VanDerWaalsContact ND2-CD 3.3Å; N403-E625 PolarHBondContact ND2-OE1 3.01Å
404	E	91.4	Very high	96.4	Very high	199 Å²	199	38.5 Å²	38.5	93%	0.93	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-11.3	-179.7	-60.4	178	172	0	0	115
405	K	91.2	Very high	96.5	Very high	148 Å²	148	36.9 Å²	36.9	64%	0.643	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.1	6.2	177.7	-49.3	176	-166.3	157.6	0	113.2	N403 A407 E625	N403-K405 PolarHBondContact O-N 3.48Å; N403-K405 WeakPolarHBondContact OD1-CA 3.44Å; N403-K405 WeakPolarHBondContact OD1-CB 3.34Å; N403-K405 PolarHBondContact OD1-N 3.36Å; K405-A407 VanDerWaalsContact C-N 3.34Å; K405-E625 WeakPolarHBondContact CD-OE1 3.18Å; K405-E625 WeakPolarHBondContact CE-OE1 3.2Å; K405-E625 IonicContact NZ-OE1 2.61Å; K405-E625 PolarHBondContact NZ-OE1 2.93Å
406	N	91.4	Very high	96.4	Very high	102 Å²	102	38.2 Å²	38.2	55%	0.545	19%	0.192	S	C	.	.	S	Bend	trans	61.1	38.9	-171.3	-45.4	-78.6	0	0	0	113.2	E402 N403	E402-N406 WeakPolarHBondContact OE2-CA 3.49Å; N403-N406 PolarHBondContact O-N 2.87Å
407	A	95.3	Very high	96.3	Very high	5 Å²	5	39.2 Å²	39.2	4%	0.041	20%	0.203	C	C	.	.			trans	-117.2	131.6	174.7	0	0	0	0	0	110.4	E402 N403 K405 A624 E625	E402-A407 CarbonylContact C-O 3.54Å; E402-A407 WeakPolarHBondContact CA-O 3.39Å; N403-A407 PolarHBondContact N-O 2.89Å; N403-A407 PolarHBondContact OD1-N 2.92Å; N403-A407 PolarHBondContact OD1-O 2.79Å; K405-A407 VanDerWaalsContact C-N 3.34Å; A407-A624 HydrophobicContact CB-CB 4.05Å; A407-E625 HydrophobicContact CB-CB 4.18Å; A407-E625 HydrophobicContact CB-CG 3.42Å; A407-E625 VanDerWaalsContact CB-CG 3.42Å
408	A	97.4	Very high	96.3	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.182	C	C	.	.	B	Isolated β-bridge	trans	-63.2	140.3	178.1	0	0	0	0	0	112.4	S401 A624 P679	S401-A408 WeakPolarHBondContact O-CA 3.33Å; A408-A624 HydrophobicContact CB-CB 4.13Å; A408-P679 HydrophobicContact CB-CB 3.4Å; A408-P679 VanDerWaalsContact CB-CB 3.4Å; A408-P679 HydrophobicContact CB-CG 3.9Å
409	Y	97.1	Very high	96.3	Very high	106 Å²	106	34.9 Å²	34.9	42%	0.416	17%	0.172	S	C	.	.	S	Bend	trans	-71.4	-30.9	177.6	-69.5	-79.4	0	0	0	113.3	S401 E402 N403	S401-Y409 WeakPolarHBondContact O-CD2 3.32Å; S401-Y409 PolarHBondContact O-N 2.97Å; S401-Y409 VanDerWaalsContact O-N 3.16Å; S401-Y409 WeakPolarHBondContact OG-CD2 3.3Å; E402-Y409 VanDerWaalsContact C-CE2 3.43Å; E402-Y409 WeakPolarHBondContact O-CE2 3.26Å; N403-Y409 WeakPolarHBondContact CA-OH 3.26Å; N403-Y409 HydrophobicContact CB-CD1 4.43Å; N403-Y409 HydrophobicContact CB-CE1 3.7Å; N403-Y409 HydrophobicContact CB-CE2 4.08Å; N403-Y409 VanDerWaalsContact CB-CZ 3.5Å; N403-Y409 WeakPolarHBondContact CB-OH 3.35Å
410	Y	98.2	Very high	96.2	Very high	14 Å²	14	38 Å²	38	6%	0.055	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	137.1	-179.5	-55	-79	0	0	0	110.3	E362 L371 L373 L398	E362-Y410 HydrophobicContact CG-CE1 4.44Å; L371-Y410 HydrophobicContact CB-CD1 3.75Å; L371-Y410 HydrophobicContact CB-CE1 4.17Å; L373-Y410 HydrophobicContact CB-CD1 3.95Å; L373-Y410 HydrophobicContact CB-CE1 4.22Å; L373-Y410 HydrophobicContact CB-CG 4.14Å; L373-Y410 HydrophobicContact CD1-CD1 4.41Å; L373-Y410 HydrophobicContact CD1-CE1 3.82Å; L373-Y410 HydrophobicContact CD1-CE2 4.44Å; L373-Y410 HydrophobicContact CD2-CE2 4.45Å; L398-Y410 HydrophobicContact CB-CE2 4.46Å; L398-Y410 WeakPolarHBondContact O-CD2 3.32Å; L398-Y410 WeakPolarHBondContact O-CE2 3.41Å
411	A	98.3	Very high	96.1	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	-14.4	175.7	0	0	0	0	0	112.7	A370 L371 C621 V682	A370-A411 HydrophobicContact CB-CB 3.92Å; L371-A411 PolarHBondContact O-N 2.84Å; A411-C621 HydrophobicContact CB-CB 3.97Å; A411-C621 VanDerWaalsContact O-CB 3.26Å; A411-C621 WeakPolarHBondContact O-CB 3.33Å; A411-V682 VanDerWaalsContact O-CG1 3.3Å; A411-V682 WeakPolarHBondContact O-CG1 3.39Å
412	L	98.6	Very high	96.1	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.2	149.7	175.2	-173.4	70	0	0	0	108.4	V372 L373 I414 I668 L670 Y676 F677 I678	V372-L412 WeakPolarHBondContact CA-O 3.29Å; V372-L412 HydrophobicContact CG1-CB 4.12Å; V372-L412 WeakPolarHBondContact CG1-O 3.26Å; V372-L412 HydrophobicContact CG2-CB 4.46Å; L373-L412 PolarHBondContact N-O 3.41Å; L412-I414 HydrophobicContact CD2-CD1 3.86Å; L412-I414 HydrophobicContact CD2-CG1 3.9Å; L412-I414 HydrophobicContact CG-CG1 4.07Å; L412-I668 HydrophobicContact CD2-CB 4.33Å; L412-I668 HydrophobicContact CD2-CD1 3.79Å; L412-I668 HydrophobicContact CD2-CG1 4.1Å; L412-L670 HydrophobicContact CD2-CD2 4.21Å; L412-Y676 HydrophobicContact CD1-CD2 4.26Å; L412-F677 WeakPolarHBondContact CD1-O 3.34Å; L412-I678 HydrophobicContact CD1-CD1 4.41Å; L412-I678 HydrophobicContact CD1-CG1 3.61Å
413	A	98.6	Very high	96.1	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	146.5	162.3	0	0	0	0	0	110.9	L373 F395 T399 Y676 F677	L373-A413 HydrophobicContact CB-CB 3.87Å; L373-A413 CarbonylContact O-C 3.48Å; L373-A413 VanDerWaalsContact O-CA 3.26Å; L373-A413 WeakPolarHBondContact O-CA 3.23Å; F395-A413 HydrophobicContact CE1-CB 4.09Å; F395-A413 HydrophobicContact CZ-CB 4.12Å; T399-A413 HydrophobicContact CG2-CB 3.51Å; T399-A413 VanDerWaalsContact OG1-CB 3.26Å; T399-A413 WeakPolarHBondContact OG1-CB 3.41Å; A413-Y676 CarbonylContact O-C 3.55Å; A413-Y676 VanDerWaalsContact O-CA 3.3Å; A413-Y676 WeakPolarHBondContact O-CA 3.49Å; A413-F677 HydrophobicContact CB-CB 4.34Å; A413-F677 HydrophobicContact CB-CD2 4.37Å; A413-F677 PolarHBondContact N-O 2.84Å; A413-F677 PolarHBondContact O-N 2.85Å
414	I	98.7	Very high	96.1	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	133.6	-175.3	-47.9	162.3	0	0	0	109.8	V372 L373 H374 A375 L412 I668 L670 D674 I675	V372-I414 HydrophobicContact CG1-CD1 4.27Å; L373-I414 PolarHBondContact O-N 2.97Å; H374-I414 CarbonylContact C-O 3.53Å; H374-I414 WeakPolarHBondContact CA-O 3.41Å; A375-I414 PolarHBondContact N-O 3.03Å; L412-I414 HydrophobicContact CD2-CD1 3.86Å; L412-I414 HydrophobicContact CD2-CG1 3.9Å; L412-I414 HydrophobicContact CG-CG1 4.07Å; I414-I668 HydrophobicContact CD1-CG2 3.76Å; I414-L670 HydrophobicContact CD1-CD2 3.41Å; I414-L670 VanDerWaalsContact CD1-CD2 3.41Å; I414-L670 HydrophobicContact CG1-CD2 3.74Å; I414-L670 HydrophobicContact CG2-CD2 4.2Å; I414-D674 HydrophobicContact CG2-CB 4.16Å; I414-I675 WeakPolarHBondContact CA-O 3.5Å
415	V	98.4	Very high	96.3	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	102	164	-166.6	0	0	0	0	107.8	A375 L380 F395 A418 F503 I675 F677	A375-V415 HydrophobicContact CB-CG1 4.19Å; A375-V415 HydrophobicContact CB-CG2 4.45Å; A375-V415 CarbonylContact O-C 3.52Å; A375-V415 WeakPolarHBondContact O-CA 3.31Å; L380-V415 HydrophobicContact CD1-CG1 3.81Å; F395-V415 HydrophobicContact CD1-CG2 4.04Å; F395-V415 HydrophobicContact CE1-CG2 3.52Å; F395-V415 HydrophobicContact CZ-CG2 3.83Å; V415-A418 HydrophobicContact CB-CB 3.9Å; V415-A418 HydrophobicContact CG1-CB 3.63Å; V415-A418 PolarHBondContact O-N 3.05Å; V415-F503 HydrophobicContact CG1-CE2 4.19Å; V415-F503 HydrophobicContact CG1-CZ 4.03Å; V415-F503 HydrophobicContact CG2-CD1 4.06Å; V415-F503 HydrophobicContact CG2-CE1 3.8Å; V415-F503 HydrophobicContact CG2-CZ 4.09Å; V415-I675 PolarHBondContact N-O 3.25Å; V415-I675 PolarHBondContact O-N 2.67Å; V415-F677 HydrophobicContact CG2-CE2 4.14Å
416	H	96.9	Very high	96.6	Very high	28 Å²	28	24.6 Å²	24.6	13%	0.13	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	132	-172.3	-69.7	-72.2	0	0	0	111.6	H374 A375 Y376 M377 A418 D674	H374-H416 AromaticContact CE1-NE2 3.81Å; H374-H416 AromaticContact ND1-CD2 3.79Å; H374-H416 AromaticContact ND1-NE2 2.99Å; H374-H416 PolarHBondContact ND1-NE2 3.05Å; A375-H416 PolarHBondContact O-N 2.87Å; Y376-H416 HydrophobicContact CD1-CB 3.65Å; Y376-H416 AromaticContact CD1-CD2 3.63Å; Y376-H416 AromaticContact CD1-CG 3.91Å; Y376-H416 HydrophobicContact CE1-CB 4.07Å; Y376-H416 AromaticContact CE1-CD2 3.22Å; Y376-H416 WeakPolarHBondContact CE1-CD2 3.29Å; Y376-H416 AromaticContact CE1-CG 3.8Å; Y376-H416 AromaticContact CE1-NE2 3.97Å; Y376-H416 HydrophobicContact CG-CB 4.42Å; Y376-H416 AromaticContact CZ-CD2 3.67Å; M377-H416 VanDerWaalsContact CB-O 3.23Å; M377-H416 WeakPolarHBondContact CB-O 3.36Å; M377-H416 PolarHBondContact N-O 3.3Å; H416-A418 PolarHBondContact O-N 3.38Å; H416-D674 VanDerWaalsContact CA-OD1 3.23Å; H416-D674 WeakPolarHBondContact CA-OD1 3.47Å; H416-D674 IonicContact CE1-OD2 3.09Å; H416-D674 IonicContact CG-OD1 3.61Å; H416-D674 VanDerWaalsContact ND1-CG 3.28Å; H416-D674 IonicContact ND1-OD1 3.42Å; H416-D674 PolarHBondContact ND1-OD1 3.18Å; H416-D674 VanDerWaalsContact ND1-OD1 3.11Å; H416-D674 IonicContact ND1-OD2 3.19Å; H416-D674 PolarHBondContact ND1-OD2 3.44Å
417	G	95.6	Very high	96.8	Very high	23 Å²	23	23.1 Å²	23.1	24%	0.237	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.5	-0.1	-179	0	0	0	0	0	116.2	A419 A420 N673 D674	G417-A419 PolarHBondContact O-N 3.14Å; G417-A419 VanDerWaalsContact O-N 3.16Å; G417-A420 WeakPolarHBondContact O-CB 3.26Å; G417-A420 PolarHBondContact O-N 2.82Å; G417-N673 CarbonylContact C-O 3.49Å; G417-N673 VanDerWaalsContact CA-O 3.23Å; G417-N673 WeakPolarHBondContact CA-O 3.32Å; G417-N673 PolarHBondContact N-O 3.5Å; G417-D674 PolarHBondContact N-OD1 3.2Å
418	A	97.3	Very high	96.9	Very high	8 Å²	8	24.7 Å²	24.7	7%	0.066	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-15.6	-174.4	0	0	0	0	0	115.1	M377 V415 H416 Y421 N673 I675	M377-A418 HydrophobicContact SD-CB 4.45Å; V415-A418 HydrophobicContact CB-CB 3.9Å; V415-A418 HydrophobicContact CG1-CB 3.63Å; V415-A418 PolarHBondContact O-N 3.05Å; H416-A418 PolarHBondContact O-N 3.38Å; A418-Y421 WeakPolarHBondContact O-CD1 3.49Å; A418-Y421 WeakPolarHBondContact O-CE1 3.34Å; A418-N673 PolarHBondContact N-O 3.4Å; A418-N673 VanDerWaalsContact N-O 3.07Å; A418-I675 HydrophobicContact CB-CB 4.48Å; A418-I675 HydrophobicContact CB-CD1 3.6Å; A418-I675 HydrophobicContact CB-CG1 3.98Å
419	A	97.5	Very high	96.9	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.9	12.3	173.8	0	0	0	0	0	113.8	G417 Y421 L422 V600 K602 N673 I675	G417-A419 PolarHBondContact O-N 3.14Å; G417-A419 VanDerWaalsContact O-N 3.16Å; A419-Y421 PolarHBondContact O-N 3.25Å; A419-L422 HydrophobicContact CB-CD1 4.25Å; A419-L422 PolarHBondContact O-N 3.11Å; A419-V600 HydrophobicContact CB-CG1 3.43Å; A419-V600 VanDerWaalsContact CB-CG1 3.43Å; A419-K602 HydrophobicContact CB-CD 4.42Å; A419-K602 PolarHBondContact O-NZ 2.82Å; A419-N673 WeakPolarHBondContact CB-O 3.46Å; A419-N673 PolarHBondContact N-O 3.2Å; A419-I675 HydrophobicContact CB-CD1 4.36Å; A419-I675 HydrophobicContact CB-CG1 3.92Å
420	A	95.3	Very high	96.9	Very high	65 Å²	65	20 Å²	20	54%	0.537	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-26.7	-179.7	0	0	0	0	0	113.6	G417 L422 N673	G417-A420 WeakPolarHBondContact O-CB 3.26Å; G417-A420 PolarHBondContact O-N 2.82Å; A420-L422 VanDerWaalsContact C-N 3.33Å; A420-L422 PolarHBondContact O-N 3.35Å; A420-N673 WeakPolarHBondContact CA-OD1 3.4Å; A420-N673 HydrophobicContact CB-CB 4.2Å
421	Y	95.4	Very high	96.8	Very high	89 Å²	89	27.4 Å²	27.4	35%	0.349	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-22.2	178.6	79.4	-81.1	0	0	0	113.8	A418 A419 M497 E500 S501	A418-Y421 WeakPolarHBondContact O-CD1 3.49Å; A418-Y421 WeakPolarHBondContact O-CE1 3.34Å; A419-Y421 PolarHBondContact O-N 3.25Å; Y421-M497 WeakPolarHBondContact CE2-O 3.2Å; Y421-M497 PolarHBondContact OH-O 3.19Å; Y421-E500 HydrophobicContact CE2-CB 3.87Å; Y421-S501 VanDerWaalsContact OH-CB 3.29Å; Y421-S501 WeakPolarHBondContact OH-CB 3.42Å; Y421-S501 PolarHBondContact OH-N 3.1Å
422	L	96.8	Very high	96.8	Very high	7 Å²	7	31.1 Å²	31.1	4%	0.037	17%	0.168	C	C	.	.	S	Bend	trans	-77	152.3	178.3	-65.8	172.8	0	0	0	111.8	A419 A420 F425 M497 L498 V600 K602	A419-L422 HydrophobicContact CB-CD1 4.25Å; A419-L422 PolarHBondContact O-N 3.11Å; A420-L422 VanDerWaalsContact C-N 3.33Å; A420-L422 PolarHBondContact O-N 3.35Å; L422-F425 HydrophobicContact CB-CE1 4Å; L422-F425 HydrophobicContact CD1-CE1 4Å; L422-F425 HydrophobicContact CD1-CZ 4.05Å; L422-M497 HydrophobicContact CD2-CB 3.9Å; L422-L498 HydrophobicContact CD1-CD2 3.79Å; L422-L498 HydrophobicContact CD2-CD2 4.25Å; L422-V600 HydrophobicContact CD1-CG1 4.17Å; L422-K602 VanDerWaalsContact O-CE 3.24Å; L422-K602 WeakPolarHBondContact O-CE 3.13Å; L422-K602 PolarHBondContact O-NZ 2.93Å
423	P	94.8	Very high	96.8	Very high	42 Å²	42	33.8 Å²	33.8	27%	0.273	18%	0.18	S	C	.	.	P	Polyproline II helix	trans	-69.2	166.5	172.4	31	-36.7	0	0	0	112.4	F425 Y428 M497 K602	P423-F425 WeakPolarHBondContact O-CD1 3.23Å; P423-F425 PolarHBondContact O-N 3.48Å; P423-Y428 HydrophobicContact CB-CD2 4.32Å; P423-Y428 HydrophobicContact CG-CD2 3.74Å; P423-Y428 HydrophobicContact CG-CG 3.97Å; P423-M497 HydrophobicContact CG-CE 4.38Å; P423-K602 VanDerWaalsContact O-CE 3.23Å; P423-K602 WeakPolarHBondContact O-CE 3.46Å
424	D	93.7	Very high	96.7	Very high	27 Å²	27	35.9 Å²	35.9	14%	0.144	19%	0.193	C	C	.	.	P	Polyproline II helix	trans	-60.5	124.2	159.4	177.3	-56.6	0	0	0	107.9	L426 D427 Y428 Q605	D424-L426 WeakPolarHBondContact OD1-CA 3.44Å; D424-L426 WeakPolarHBondContact OD1-CB 3.18Å; D424-L426 PolarHBondContact OD1-N 3.35Å; D424-D427 HydrophobicContact CB-CB 4.18Å; D424-D427 PolarHBondContact OD1-N 3.47Å; D424-Y428 VanDerWaalsContact O-CB 3.27Å; D424-Y428 WeakPolarHBondContact O-CB 3.26Å; D424-Y428 PolarHBondContact O-N 3.07Å; D424-Q605 PolarHBondContact OD2-N 2.99Å
425	F	96.6	Very high	96.6	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-68.3	-36.2	-173.1	-53.3	-34.1	0	0	0	112.5	L422 P423 Y428 F429 F494 M530 V600 K602 C693 L695	L422-F425 HydrophobicContact CB-CE1 4Å; L422-F425 HydrophobicContact CD1-CE1 4Å; L422-F425 HydrophobicContact CD1-CZ 4.05Å; P423-F425 WeakPolarHBondContact O-CD1 3.23Å; P423-F425 PolarHBondContact O-N 3.48Å; F425-Y428 PolarHBondContact O-N 2.88Å; F425-F429 VanDerWaalsContact O-CD2 3.25Å; F425-F429 WeakPolarHBondContact O-CD2 3.23Å; F425-F429 PolarHBondContact O-N 2.71Å; F425-F494 AromaticContact CD1-CE2 3.83Å; F425-F494 HydrophobicContact CD1-CE2 3.83Å; F425-F494 AromaticContact CD1-CZ 3.58Å; F425-F494 HydrophobicContact CD1-CZ 3.58Å; F425-F494 HydrophobicContact CE1-CE2 4.16Å; F425-F494 AromaticContact CE1-CZ 3.68Å; F425-F494 HydrophobicContact CE1-CZ 3.68Å; F425-F494 HydrophobicContact CG-CZ 4.29Å; F425-F494 HydrophobicContact CZ-CZ 4.48Å; F425-M530 HydrophobicContact CB-SD 3.69Å; F425-M530 HydrophobicContact CG-SD 4.43Å; F425-V600 HydrophobicContact CZ-CG1 4.04Å; F425-K602 HydrophobicContact CD1-CG 4.08Å; F425-K602 HydrophobicContact CD2-CB 4.06Å; F425-K602 HydrophobicContact CD2-CG 3.86Å; F425-K602 HydrophobicContact CE1-CG 3.68Å; F425-K602 HydrophobicContact CE2-CB 4Å; F425-K602 HydrophobicContact CE2-CG 3.4Å; F425-K602 HydrophobicContact CG-CB 4.45Å; F425-K602 HydrophobicContact CG-CG 4.18Å; F425-K602 HydrophobicContact CZ-CB 4.38Å; F425-K602 HydrophobicContact CZ-CD 4.29Å; F425-K602 HydrophobicContact CZ-CG 3.32Å; F425-C693 HydrophobicContact CB-CB 3.97Å; F425-C693 HydrophobicContact CD2-CB 3.69Å; F425-C693 HydrophobicContact CG-CB 4.26Å; F425-L695 HydrophobicContact CD2-CD2 4.44Å; F425-L695 HydrophobicContact CD2-CG 4.09Å; F425-L695 HydrophobicContact CE1-CD1 4.15Å; F425-L695 HydrophobicContact CE2-CD1 3.78Å; F425-L695 HydrophobicContact CE2-CD2 4.37Å; F425-L695 HydrophobicContact CE2-CG 3.56Å; F425-L695 HydrophobicContact CZ-CD1 3.55Å; F425-L695 HydrophobicContact CZ-CG 3.9Å
426	L	96.5	Very high	96.5	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-71.1	-41.7	-179.6	178.4	58.5	0	0	0	110.8	D424 A430 I453 F456 H457 V460 V532 V604 F606	D424-L426 WeakPolarHBondContact OD1-CA 3.44Å; D424-L426 WeakPolarHBondContact OD1-CB 3.18Å; D424-L426 PolarHBondContact OD1-N 3.35Å; L426-A430 WeakPolarHBondContact O-CB 3.33Å; L426-A430 PolarHBondContact O-N 2.87Å; L426-I453 HydrophobicContact CD1-CG1 4.19Å; L426-F456 HydrophobicContact CD1-CD1 3.76Å; L426-F456 HydrophobicContact CD1-CE1 3.97Å; L426-F456 HydrophobicContact CD2-CE1 4.3Å; L426-H457 HydrophobicContact CD1-CB 4.07Å; L426-H457 HydrophobicContact CG-CB 4.36Å; L426-V460 HydrophobicContact CD2-CB 4.11Å; L426-V460 HydrophobicContact CD2-CG1 3.95Å; L426-V460 HydrophobicContact CD2-CG2 4.1Å; L426-V532 HydrophobicContact CD2-CG1 4.47Å; L426-V604 HydrophobicContact CD2-CG1 4.32Å; L426-F606 HydrophobicContact CD2-CE2 4.26Å; L426-F606 HydrophobicContact CD2-CZ 4.35Å
427	D	95.7	Very high	96.5	Very high	71 Å²	71	44.5 Å²	44.5	38%	0.38	24%	0.244	S	C	.	.	H	α-helix	trans	-61.8	-48.3	170.7	-93	-8.8	0	0	0	111.4	D424 F429 A430 F431 H457	D424-D427 HydrophobicContact CB-CB 4.18Å; D424-D427 PolarHBondContact OD1-N 3.47Å; D427-F429 PolarHBondContact O-N 3.49Å; D427-A430 PolarHBondContact O-N 2.99Å; D427-F431 WeakPolarHBondContact O-CB 3.18Å; D427-F431 PolarHBondContact O-N 3.26Å; D427-H457 IonicContact OD1-CD2 3.42Å; D427-H457 IonicContact OD1-CE1 3.11Å; D427-H457 IonicContact OD1-NE2 2.97Å; D427-H457 PolarHBondContact OD1-NE2 3.46Å
428	Y	97	Very high	96.5	Very high	38 Å²	38	43.4 Å²	43.4	15%	0.149	23%	0.233	C	C	.	.	H	α-helix	trans	-58.6	-51.5	-177.5	177.4	-89.8	0	0	0	112.5	P423 D424 F425 F431 N432 F433 F494 M497	P423-Y428 HydrophobicContact CB-CD2 4.32Å; P423-Y428 HydrophobicContact CG-CD2 3.74Å; P423-Y428 HydrophobicContact CG-CG 3.97Å; D424-Y428 VanDerWaalsContact O-CB 3.27Å; D424-Y428 WeakPolarHBondContact O-CB 3.26Å; D424-Y428 PolarHBondContact O-N 3.07Å; F425-Y428 PolarHBondContact O-N 2.88Å; Y428-F431 PolarHBondContact O-N 3.06Å; Y428-N432 VanDerWaalsContact CD2-ND2 3.31Å; Y428-N432 WeakPolarHBondContact CD2-ND2 3.39Å; Y428-N432 WeakPolarHBondContact CE2-ND2 3.4Å; Y428-N432 WeakPolarHBondContact O-CB 3.45Å; Y428-N432 PolarHBondContact O-N 3.16Å; Y428-N432 PolarHBondContact O-ND2 2.97Å; Y428-F433 HydrophobicContact CE1-CD2 4.35Å; Y428-F433 AromaticContact CE1-CE2 3.9Å; Y428-F433 HydrophobicContact CE1-CE2 3.9Å; Y428-F494 AromaticContact CD1-CD2 3.67Å; Y428-F494 HydrophobicContact CD1-CD2 3.67Å; Y428-F494 HydrophobicContact CD1-CE2 4.08Å; Y428-F494 HydrophobicContact CE1-CB 4.08Å; Y428-F494 AromaticContact CE1-CD2 3.45Å; Y428-F494 HydrophobicContact CE1-CD2 3.45Å; Y428-F494 VanDerWaalsContact CE1-CD2 3.45Å; Y428-F494 HydrophobicContact CE1-CE2 4.32Å; Y428-F494 HydrophobicContact CE1-CG 4.15Å; Y428-F494 HydrophobicContact CG-CD2 4.39Å; Y428-F494 AromaticContact CZ-CD2 4Å; Y428-M497 HydrophobicContact CD2-CE 4.29Å; Y428-M497 HydrophobicContact CE1-CE 4.41Å; Y428-M497 HydrophobicContact CE2-CE 3.62Å
429	F	97.7	Very high	96.4	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-73.9	-32.5	-179.4	-74.6	-74.7	0	0	0	112.3	F425 D427 F431 F433 I453 L479 F491 F494 M530	F425-F429 VanDerWaalsContact O-CD2 3.25Å; F425-F429 WeakPolarHBondContact O-CD2 3.23Å; F425-F429 PolarHBondContact O-N 2.71Å; D427-F429 PolarHBondContact O-N 3.49Å; F429-F431 VanDerWaalsContact C-N 3.31Å; F429-F431 PolarHBondContact O-N 3.47Å; F429-F433 HydrophobicContact CD1-CB 4.47Å; F429-F433 AromaticContact CD1-CD2 3.65Å; F429-F433 HydrophobicContact CD1-CD2 3.65Å; F429-F433 HydrophobicContact CD1-CE2 4.33Å; F429-F433 HydrophobicContact CD1-CG 4.37Å; F429-F433 HydrophobicContact CE1-CD2 4.07Å; F429-F433 HydrophobicContact CE1-CE2 4.34Å; F429-F433 CarbonylContact O-C 3.5Å; F429-F433 WeakPolarHBondContact O-CA 3.29Å; F429-F433 PolarHBondContact O-N 2.98Å; F429-I453 HydrophobicContact CB-CD1 3.57Å; F429-I453 HydrophobicContact CB-CG1 4.32Å; F429-L479 HydrophobicContact CE1-CD2 4.22Å; F429-L479 HydrophobicContact CE2-CD2 4.25Å; F429-L479 HydrophobicContact CZ-CD1 4.28Å; F429-L479 HydrophobicContact CZ-CD2 3.73Å; F429-F491 HydrophobicContact CD1-CD1 4.34Å; F429-F491 HydrophobicContact CD1-CE1 4.2Å; F429-F491 HydrophobicContact CD1-CZ 4.32Å; F429-F491 HydrophobicContact CE1-CB 4.17Å; F429-F491 AromaticContact CE1-CD1 3.78Å; F429-F491 HydrophobicContact CE1-CD1 3.78Å; F429-F491 AromaticContact CE1-CD2 3.77Å; F429-F491 HydrophobicContact CE1-CD2 3.77Å; F429-F491 HydrophobicContact CE1-CE1 4.02Å; F429-F491 HydrophobicContact CE1-CE2 4.02Å; F429-F491 AromaticContact CE1-CG 3.65Å; F429-F491 HydrophobicContact CE1-CG 3.65Å; F429-F491 HydrophobicContact CE1-CZ 4.13Å; F429-F491 HydrophobicContact CZ-CD2 4.34Å; F429-F491 HydrophobicContact CZ-CG 4.4Å; F429-F494 HydrophobicContact CE2-CD1 4.26Å; F429-F494 AromaticContact CE2-CD2 3.91Å; F429-F494 HydrophobicContact CE2-CD2 3.91Å; F429-F494 HydrophobicContact CE2-CE1 4.12Å; F429-F494 AromaticContact CE2-CE2 3.76Å; F429-F494 HydrophobicContact CE2-CE2 3.76Å; F429-F494 HydrophobicContact CE2-CG 4.14Å; F429-F494 AromaticContact CE2-CZ 3.87Å; F429-F494 HydrophobicContact CE2-CZ 3.87Å; F429-F494 HydrophobicContact CZ-CB 4.12Å; F429-F494 AromaticContact CZ-CD1 3.83Å; F429-F494 HydrophobicContact CZ-CD1 3.83Å; F429-F494 AromaticContact CZ-CD2 3.78Å; F429-F494 HydrophobicContact CZ-CD2 3.78Å; F429-F494 HydrophobicContact CZ-CE1 4.14Å; F429-F494 HydrophobicContact CZ-CE2 4.1Å; F429-F494 AromaticContact CZ-CG 3.62Å; F429-F494 HydrophobicContact CZ-CG 3.62Å; F429-F494 HydrophobicContact CZ-CZ 4.27Å; F429-M530 HydrophobicContact CD2-CE 3.58Å; F429-M530 HydrophobicContact CD2-SD 3.51Å; F429-M530 VanDerWaalsContact CD2-SD 3.51Å; F429-M530 HydrophobicContact CE2-CE 4.08Å; F429-M530 HydrophobicContact CE2-SD 3.55Å; F429-M530 VanDerWaalsContact CE2-SD 3.55Å; F429-M530 HydrophobicContact CG-CE 4.17Å
430	A	97.3	Very high	96.3	Very high	8 Å²	8	46 Å²	46	7%	0.066	24%	0.243	C	C	.	.	H	α-helix	trans	-69.3	-26.5	175	0	0	0	0	0	113.9	L426 D427 P434 H457	L426-A430 WeakPolarHBondContact O-CB 3.33Å; L426-A430 PolarHBondContact O-N 2.87Å; D427-A430 PolarHBondContact O-N 2.99Å; A430-P434 WeakPolarHBondContact O-CB 3.46Å; A430-H457 HydrophobicContact CB-CB 3.56Å; A430-H457 WeakPolarHBondContact CB-CD2 2.98Å
431	F	97	Very high	96.3	Very high	170 Å²	170	45 Å²	45	75%	0.746	23%	0.227	S	C	*	.	H	α-helix	trans	-86.7	-50.6	176.6	-175.7	-97.6	0	0	0	112.8	D427 Y428 F429	D427-F431 WeakPolarHBondContact O-CB 3.18Å; D427-F431 PolarHBondContact O-N 3.26Å; Y428-F431 PolarHBondContact O-N 3.06Å; F429-F431 VanDerWaalsContact C-N 3.31Å; F429-F431 PolarHBondContact O-N 3.47Å
432	N	97.7	Very high	96	Very high	78 Å²	78	42.8 Å²	42.8	42%	0.417	22%	0.221	S	C	.	.	H	α-helix	trans	-82.7	-33.9	-174	-63.1	-68.3	0	0	0	112.9	Y428 P434	Y428-N432 VanDerWaalsContact CD2-ND2 3.31Å; Y428-N432 WeakPolarHBondContact CD2-ND2 3.39Å; Y428-N432 WeakPolarHBondContact CE2-ND2 3.4Å; Y428-N432 WeakPolarHBondContact O-CB 3.45Å; Y428-N432 PolarHBondContact O-N 3.16Å; Y428-N432 PolarHBondContact O-ND2 2.97Å; N432-P434 WeakPolarHBondContact O-CD 3.38Å
433	F	97.4	Very high	95.5	Very high	56 Å²	56	43.2 Å²	43.2	25%	0.246	22%	0.223	C	C	.	.	S	Bend	trans	-125.8	50.2	-175.2	-55.2	-80.5	0	0	0	111.9	Y428 F429 N435 T436 I453 F491	Y428-F433 HydrophobicContact CE1-CD2 4.35Å; Y428-F433 AromaticContact CE1-CE2 3.9Å; Y428-F433 HydrophobicContact CE1-CE2 3.9Å; F429-F433 HydrophobicContact CD1-CB 4.47Å; F429-F433 AromaticContact CD1-CD2 3.65Å; F429-F433 HydrophobicContact CD1-CD2 3.65Å; F429-F433 HydrophobicContact CD1-CE2 4.33Å; F429-F433 HydrophobicContact CD1-CG 4.37Å; F429-F433 HydrophobicContact CE1-CD2 4.07Å; F429-F433 HydrophobicContact CE1-CE2 4.34Å; F429-F433 CarbonylContact O-C 3.5Å; F429-F433 WeakPolarHBondContact O-CA 3.29Å; F429-F433 PolarHBondContact O-N 2.98Å; F433-N435 PolarHBondContact O-N 2.94Å; F433-T436 WeakPolarHBondContact CB-OG1 3.47Å; F433-T436 WeakPolarHBondContact O-CB 3.38Å; F433-T436 PolarHBondContact O-N 3.15Å; F433-T436 PolarHBondContact O-OG1 3.36Å; F433-I453 WeakPolarHBondContact O-CG2 3.42Å; F433-F491 HydrophobicContact CB-CE1 4.11Å; F433-F491 AromaticContact CD1-CD1 3.86Å; F433-F491 HydrophobicContact CD1-CD1 3.86Å; F433-F491 AromaticContact CD1-CE1 3.74Å; F433-F491 HydrophobicContact CD1-CE1 3.74Å; F433-F491 AromaticContact CD2-CD1 3.91Å; F433-F491 HydrophobicContact CD2-CD1 3.91Å; F433-F491 HydrophobicContact CD2-CE1 4.02Å; F433-F491 AromaticContact CE1-CD1 3.77Å; F433-F491 HydrophobicContact CE1-CD1 3.77Å; F433-F491 HydrophobicContact CE1-CE1 4.14Å; F433-F491 AromaticContact CE2-CD1 3.82Å; F433-F491 HydrophobicContact CE2-CD1 3.82Å; F433-F491 HydrophobicContact CE2-CE1 4.39Å; F433-F491 AromaticContact CG-CD1 3.93Å; F433-F491 HydrophobicContact CG-CD1 3.93Å; F433-F491 AromaticContact CG-CE1 3.68Å; F433-F491 HydrophobicContact CG-CE1 3.68Å; F433-F491 AromaticContact CZ-CD1 3.75Å; F433-F491 HydrophobicContact CZ-CD1 3.75Å; F433-F491 HydrophobicContact CZ-CE1 4.44Å
434	P	97.5	Very high	94.8	Very high	44 Å²	44	43.1 Å²	43.1	29%	0.286	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-24.1	-165.6	23.9	-35.8	0	0	0	114.9	A430 N432 T452 S454	A430-P434 WeakPolarHBondContact O-CB 3.46Å; N432-P434 WeakPolarHBondContact O-CD 3.38Å; P434-T452 WeakPolarHBondContact O-CB 3.26Å; P434-T452 PolarHBondContact O-OG1 2.9Å; P434-S454 VanDerWaalsContact O-CB 3.23Å; P434-S454 WeakPolarHBondContact O-CB 3.38Å; P434-S454 PolarHBondContact O-N 3.16Å
435	N	97	Very high	94.3	Very high	133 Å²	133	45.5 Å²	45.5	71%	0.711	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.7	-8.5	-177.8	-65.3	-38	0	0	0	113.7	F433	F433-N435 PolarHBondContact O-N 2.94Å
436	T	96.4	Very high	93.7	Very high	14 Å²	14	54.7 Å²	54.7	9%	0.086	28%	0.278	C	S	.	.			trans	-55.8	125.4	-179.2	-67.1	0	0	0	0	109.9	F433 T452 I453 I477 F491	F433-T436 WeakPolarHBondContact CB-OG1 3.47Å; F433-T436 WeakPolarHBondContact O-CB 3.38Å; F433-T436 PolarHBondContact O-N 3.15Å; F433-T436 PolarHBondContact O-OG1 3.36Å; T436-T452 CarbonylContact O-C 3.55Å; T436-T452 WeakPolarHBondContact O-CA 3.3Å; T436-I453 PolarHBondContact O-N 2.92Å; T436-I477 HydrophobicContact CG2-CD1 4.46Å; T436-F491 HydrophobicContact CG2-CZ 4.11Å
437	P	95.6	Very high	93.3	Very high	62 Å²	62	58.4 Å²	58.4	40%	0.403	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	145.5	178.8	26.1	-32.6	0	0	0	110.6	T451 V487	P437-T451 CarbonylContact C-O 3.55Å; P437-T451 WeakPolarHBondContact CA-O 3.45Å; P437-V487 HydrophobicContact CB-CG1 3.87Å; P437-V487 HydrophobicContact CG-CG1 3.7Å; P437-V487 WeakPolarHBondContact O-CG1 3.33Å
438	V	96.7	Very high	93.2	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	141.5	174.4	-62	0	0	0	0	109.9	T450 T451 I453 F456 M474 I477	V438-T450 WeakPolarHBondContact O-CA 3.44Å; V438-T451 HydrophobicContact CG2-CG2 3.79Å; V438-T451 PolarHBondContact N-O 3.38Å; V438-T451 PolarHBondContact O-N 3.19Å; V438-I453 HydrophobicContact CG1-CB 3.8Å; V438-I453 HydrophobicContact CG1-CD1 4.16Å; V438-I453 HydrophobicContact CG1-CG1 4.33Å; V438-F456 HydrophobicContact CG2-CB 3.96Å; V438-M474 HydrophobicContact CB-CG 3.99Å; V438-M474 HydrophobicContact CB-SD 3.85Å; V438-M474 HydrophobicContact CG1-CE 4.4Å; V438-M474 HydrophobicContact CG1-CG 4.42Å; V438-M474 HydrophobicContact CG1-SD 3.64Å; V438-M474 HydrophobicContact CG2-CG 4.44Å; V438-M474 HydrophobicContact CG2-SD 4.32Å; V438-I477 HydrophobicContact CG1-CG2 4.24Å
439	K	95.9	Very high	93	Very high	56 Å²	56	61.1 Å²	61.1	24%	0.243	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	111.3	171.9	-74.3	169.2	-178	175.2	0	108.2	I448 R475 E485 V487	K439-I448 HydrophobicContact CB-CG2 3.89Å; K439-I448 HydrophobicContact CG-CG2 4.22Å; K439-R475 HydrophobicContact CB-CB 4.3Å; K439-R475 WeakPolarHBondContact O-CB 3.26Å; K439-R475 PolarHBondContact O-N 3.26Å; K439-E485 PolarHBondContact NZ-O 2.69Å; K439-V487 HydrophobicContact CD-CG2 3.58Å; K439-V487 HydrophobicContact CG-CG2 3.95Å
440	M	94.6	Very high	92.9	Very high	6 Å²	6	65.7 Å²	65.7	3%	0.03	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	151.4	172.3	58.5	161.5	-79.2	0	0	111.1	I448 E449 T451 F456 P473	M440-I448 CarbonylContact O-C 3.08Å; M440-I448 WeakPolarHBondContact O-CA 3.49Å; M440-E449 HydrophobicContact CG-CB 4.19Å; M440-E449 VanDerWaalsContact CG-O 3.28Å; M440-E449 WeakPolarHBondContact CG-O 3.44Å; M440-E449 PolarHBondContact N-O 3.42Å; M440-E449 PolarHBondContact O-N 2.73Å; M440-T451 HydrophobicContact CG-CG2 4.11Å; M440-T451 HydrophobicContact SD-CG2 4.11Å; M440-F456 HydrophobicContact CB-CD2 4.11Å; M440-F456 HydrophobicContact CB-CE2 4.3Å; M440-F456 HydrophobicContact SD-CD2 4.07Å; M440-P473 WeakPolarHBondContact CA-O 3.29Å
441	E	94.1	Very high	92.9	Very high	45 Å²	45	66.3 Å²	66.3	21%	0.21	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	140.5	172.9	-53.5	-165.8	144	0	0	110.1	L443 G472 P473 R475	E441-L443 PolarHBondContact O-N 3.19Å; E441-G472 VanDerWaalsContact O-CA 3.25Å; E441-G472 WeakPolarHBondContact O-CA 3.38Å; E441-P473 HydrophobicContact CB-CG 4.14Å; E441-P473 HydrophobicContact CG-CG 4.27Å; E441-P473 PolarHBondContact N-O 3.07Å; E441-R475 HydrophobicContact CG-CG 4.24Å; E441-R475 IonicContact OE1-CZ 2.7Å; E441-R475 VanDerWaalsContact OE1-CZ 3.24Å; E441-R475 IonicContact OE1-NE 2.75Å; E441-R475 PolarHBondContact OE1-NE 2.71Å; E441-R475 IonicContact OE1-NH2 2.66Å; E441-R475 PolarHBondContact OE1-NH2 2.81Å
442	I	89.9	Confident	92.9	Very high	42 Å²	42	60 Å²	60	22%	0.215	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-75.1	119.9	176.2	-59.9	-177.5	0	0	0	108.7	G444 K445 D447 E449 P545	I442-G444 PolarHBondContact O-N 3.35Å; I442-K445 HydrophobicContact CB-CB 4.31Å; I442-K445 HydrophobicContact CB-CD 4.29Å; I442-K445 HydrophobicContact CG2-CD 3.89Å; I442-K445 WeakPolarHBondContact O-CA 3.13Å; I442-K445 WeakPolarHBondContact O-CB 3.4Å; I442-K445 PolarHBondContact O-N 3.33Å; I442-D447 HydrophobicContact CB-CB 4.41Å; I442-D447 HydrophobicContact CD1-CB 3.95Å; I442-D447 HydrophobicContact CG1-CB 4.32Å; I442-D447 PolarHBondContact N-O 2.73Å; I442-E449 HydrophobicContact CD1-CB 4.33Å; I442-E449 HydrophobicContact CG1-CB 4.08Å; I442-P545 HydrophobicContact CG2-CG 4.23Å
443	L	86.9	Confident	92.9	Very high	16 Å²	16	56.2 Å²	56.2	8%	0.084	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-47.1	123.5	-177.9	-175.5	67.2	0	0	0	112	E441 K445 R470 I539 P545 F575	E441-L443 PolarHBondContact O-N 3.19Å; L443-K445 VanDerWaalsContact C-N 3.34Å; L443-R470 HydrophobicContact CD2-CB 4.42Å; L443-I539 HydrophobicContact CD1-CD1 4.22Å; L443-I539 HydrophobicContact CD1-CG1 4.26Å; L443-I539 HydrophobicContact CD2-CD1 4.09Å; L443-I539 HydrophobicContact CD2-CG1 4.47Å; L443-I539 HydrophobicContact CD2-CG2 4.06Å; L443-P545 WeakPolarHBondContact O-CD 3.47Å; L443-P545 VanDerWaalsContact O-CG 3.28Å; L443-P545 WeakPolarHBondContact O-CG 3.14Å; L443-F575 HydrophobicContact CD1-CD2 3.78Å; L443-F575 HydrophobicContact CD1-CE2 3.97Å; L443-F575 HydrophobicContact CD1-CG 4.31Å
444	G	79.6	Confident	92.9	Very high	39 Å²	39	55.5 Å²	55.5	40%	0.402	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.5	10.2	-179.7	0	0	0	0	0	115.8	I442	I442-G444 PolarHBondContact O-N 3.35Å
445	K	84.1	Confident	93	Very high	77 Å²	77	57.5 Å²	57.5	34%	0.335	31%	0.308	S	S	.	.	S	Bend	trans	-132.1	174.8	172.4	-75.4	170.3	148.6	-154.1	0	110.3	I442 L443 D447 P545	I442-K445 HydrophobicContact CB-CB 4.31Å; I442-K445 HydrophobicContact CB-CD 4.29Å; I442-K445 HydrophobicContact CG2-CD 3.89Å; I442-K445 WeakPolarHBondContact O-CA 3.13Å; I442-K445 WeakPolarHBondContact O-CB 3.4Å; I442-K445 PolarHBondContact O-N 3.33Å; L443-K445 VanDerWaalsContact C-N 3.34Å; K445-D447 HydrophobicContact CB-CB 4.2Å; K445-D447 HydrophobicContact CD-CB 4.27Å; K445-D447 WeakPolarHBondContact CD-OD2 3.27Å; K445-D447 WeakPolarHBondContact CE-OD2 3.34Å; K445-D447 IonicContact NZ-OD2 3.48Å; K445-D447 PolarHBondContact NZ-OD2 3.21Å; K445-P545 HydrophobicContact CD-CB 4.09Å; K445-P545 HydrophobicContact CD-CG 3.58Å; K445-P545 HydrophobicContact CG-CG 3.71Å
446	K	82.3	Confident	93	Very high	193 Å²	193	51.1 Å²	51.1	84%	0.839	27%	0.274	S	S	*	.	S	Bend	trans	-103.2	5.5	164.7	-65.9	-166.6	174	-166.6	0	112.8
447	D	89.6	Confident	93.1	Very high	78 Å²	78	51.9 Å²	51.9	42%	0.417	28%	0.277	S	S	.	.			trans	-67.7	133.5	176.9	-55.4	14.9	0	0	0	108.4	I442 K445	I442-D447 HydrophobicContact CB-CB 4.41Å; I442-D447 HydrophobicContact CD1-CB 3.95Å; I442-D447 HydrophobicContact CG1-CB 4.32Å; I442-D447 PolarHBondContact N-O 2.73Å; K445-D447 HydrophobicContact CB-CB 4.2Å; K445-D447 HydrophobicContact CD-CB 4.27Å; K445-D447 WeakPolarHBondContact CD-OD2 3.27Å; K445-D447 WeakPolarHBondContact CE-OD2 3.34Å; K445-D447 IonicContact NZ-OD2 3.48Å; K445-D447 PolarHBondContact NZ-OD2 3.21Å
448	I	92.6	Very high	93.1	Very high	80 Å²	80	52.7 Å²	52.7	41%	0.41	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	135.2	179.2	-53.8	166.1	0	0	0	108.5	K439 M440 R475	K439-I448 HydrophobicContact CB-CG2 3.89Å; K439-I448 HydrophobicContact CG-CG2 4.22Å; M440-I448 CarbonylContact O-C 3.08Å; M440-I448 WeakPolarHBondContact O-CA 3.49Å; I448-R475 VanDerWaalsContact CD1-CZ 3.45Å
449	E	93.8	Very high	93.1	Very high	87 Å²	87	55.9 Å²	55.9	41%	0.407	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	123	174.7	-173.5	170.5	158.1	0	0	109.3	M440 I442	M440-E449 HydrophobicContact CG-CB 4.19Å; M440-E449 VanDerWaalsContact CG-O 3.28Å; M440-E449 WeakPolarHBondContact CG-O 3.44Å; M440-E449 PolarHBondContact N-O 3.42Å; M440-E449 PolarHBondContact O-N 2.73Å; I442-E449 HydrophobicContact CD1-CB 4.33Å; I442-E449 HydrophobicContact CG1-CB 4.08Å
450	T	95.8	Very high	93.1	Very high	95 Å²	95	53.2 Å²	53.2	58%	0.583	28%	0.284	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.8	125	172.2	-54	0	0	0	0	109	V438	V438-T450 WeakPolarHBondContact O-CA 3.44Å
451	T	96.2	Very high	93.2	Very high	22 Å²	22	56.7 Å²	56.7	14%	0.135	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	-171.3	177.9	-165.8	0	0	0	0	109.8	P437 V438 M440 N455 F456	P437-T451 CarbonylContact C-O 3.55Å; P437-T451 WeakPolarHBondContact CA-O 3.45Å; V438-T451 HydrophobicContact CG2-CG2 3.79Å; V438-T451 PolarHBondContact N-O 3.38Å; V438-T451 PolarHBondContact O-N 3.19Å; M440-T451 HydrophobicContact CG-CG2 4.11Å; M440-T451 HydrophobicContact SD-CG2 4.11Å; T451-N455 VanDerWaalsContact OG1-CB 3.27Å; T451-N455 WeakPolarHBondContact OG1-CB 3.24Å; T451-F456 HydrophobicContact CG2-CB 4.16Å
452	T	97.6	Very high	93.3	Very high	36 Å²	36	65 Å²	65	22%	0.221	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	154.5	171.4	67.8	0	0	0	0	111	P434 T436 S454 N455 F456	P434-T452 WeakPolarHBondContact O-CB 3.26Å; P434-T452 PolarHBondContact O-OG1 2.9Å; T436-T452 CarbonylContact O-C 3.55Å; T436-T452 WeakPolarHBondContact O-CA 3.3Å; T452-S454 PolarHBondContact O-N 3Å; T452-N455 WeakPolarHBondContact O-CB 3.36Å; T452-N455 PolarHBondContact O-N 3.26Å; T452-N455 PolarHBondContact OG1-N 3.41Å; T452-N455 PolarHBondContact OG1-ND2 3.17Å; T452-F456 PolarHBondContact O-N 3.3Å
453	I	97.8	Very high	93.5	Very high	0 Å²	0	64.7 Å²	64.7	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-59.8	-33.1	-179.6	-170.4	145.5	0	0	0	113	L426 F429 F433 T436 V438 F456 H457 M474 M530	L426-I453 HydrophobicContact CD1-CG1 4.19Å; F429-I453 HydrophobicContact CB-CD1 3.57Å; F429-I453 HydrophobicContact CB-CG1 4.32Å; F433-I453 WeakPolarHBondContact O-CG2 3.42Å; T436-I453 PolarHBondContact O-N 2.92Å; V438-I453 HydrophobicContact CG1-CB 3.8Å; V438-I453 HydrophobicContact CG1-CD1 4.16Å; V438-I453 HydrophobicContact CG1-CG1 4.33Å; I453-F456 PolarHBondContact O-N 2.82Å; I453-H457 VanDerWaalsContact O-CB 3.25Å; I453-H457 WeakPolarHBondContact O-CB 3.42Å; I453-H457 PolarHBondContact O-N 2.72Å; I453-M474 HydrophobicContact CD1-SD 4.35Å; I453-M530 HydrophobicContact CD1-CE 4Å
454	S	98	Very high	93.9	Very high	40 Å²	40	65 Å²	65	28%	0.28	33%	0.332	S	S	.	.	H	α-helix	trans	-67.3	-37.3	173.2	-171	0	0	0	0	113.3	P434 T452 T458	P434-S454 VanDerWaalsContact O-CB 3.23Å; P434-S454 WeakPolarHBondContact O-CB 3.38Å; P434-S454 PolarHBondContact O-N 3.16Å; T452-S454 PolarHBondContact O-N 3Å; S454-T458 WeakPolarHBondContact O-CB 3.46Å; S454-T458 PolarHBondContact O-N 2.88Å; S454-T458 PolarHBondContact O-OG1 2.83Å
455	N	97.9	Very high	94.6	Very high	86 Å²	86	66.4 Å²	66.4	46%	0.46	34%	0.335	S	S	.	.	H	α-helix	trans	-70.8	-34.5	173.3	-77.9	-31.1	0	0	0	112.3	T451 T452 Q459	T451-N455 VanDerWaalsContact OG1-CB 3.27Å; T451-N455 WeakPolarHBondContact OG1-CB 3.24Å; T452-N455 WeakPolarHBondContact O-CB 3.36Å; T452-N455 PolarHBondContact O-N 3.26Å; T452-N455 PolarHBondContact OG1-N 3.41Å; T452-N455 PolarHBondContact OG1-ND2 3.17Å; N455-Q459 WeakPolarHBondContact O-CG 3.38Å; N455-Q459 PolarHBondContact O-N 2.97Å; N455-Q459 PolarHBondContact O-NE2 2.89Å
456	F	97.8	Very high	95	Very high	0 Å²	0	67.3 Å²	67.3	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-67	-51.2	173.4	175.2	-107.6	0	0	0	111.1	L426 V438 M440 T451 T452 I453 T458 Q459 V460 Y469 M474 V532	L426-F456 HydrophobicContact CD1-CD1 3.76Å; L426-F456 HydrophobicContact CD1-CE1 3.97Å; L426-F456 HydrophobicContact CD2-CE1 4.3Å; V438-F456 HydrophobicContact CG2-CB 3.96Å; M440-F456 HydrophobicContact CB-CD2 4.11Å; M440-F456 HydrophobicContact CB-CE2 4.3Å; M440-F456 HydrophobicContact SD-CD2 4.07Å; T451-F456 HydrophobicContact CG2-CB 4.16Å; T452-F456 PolarHBondContact O-N 3.3Å; I453-F456 PolarHBondContact O-N 2.82Å; F456-T458 VanDerWaalsContact C-N 3.29Å; F456-T458 PolarHBondContact O-N 2.89Å; F456-Q459 WeakPolarHBondContact O-CA 3.28Å; F456-Q459 WeakPolarHBondContact O-CB 3.48Å; F456-Q459 PolarHBondContact O-N 2.83Å; F456-V460 HydrophobicContact CD1-CG2 4.15Å; F456-V460 HydrophobicContact CD2-CG2 4.3Å; F456-V460 HydrophobicContact CE1-CG2 3.63Å; F456-V460 HydrophobicContact CE2-CG2 3.81Å; F456-V460 HydrophobicContact CG-CG2 4.45Å; F456-V460 HydrophobicContact CZ-CG2 3.43Å; F456-V460 VanDerWaalsContact CZ-CG2 3.43Å; F456-V460 WeakPolarHBondContact O-CG2 3.47Å; F456-V460 PolarHBondContact O-N 2.86Å; F456-Y469 HydrophobicContact CZ-CE2 4.39Å; F456-M474 HydrophobicContact CD1-CB 4.39Å; F456-M474 HydrophobicContact CD1-CG 4.37Å; F456-M474 HydrophobicContact CD1-SD 3.92Å; F456-M474 HydrophobicContact CE1-CB 3.81Å; F456-M474 HydrophobicContact CE1-CG 4.26Å; F456-M474 HydrophobicContact CE1-SD 4.05Å; F456-M474 HydrophobicContact CE2-CB 4.22Å; F456-M474 HydrophobicContact CZ-CB 3.72Å; F456-M474 HydrophobicContact CZ-CG 4.5Å; F456-V532 HydrophobicContact CE1-CB 4Å; F456-V532 HydrophobicContact CE1-CG1 4.21Å; F456-V532 HydrophobicContact CE1-CG2 4.2Å; F456-V532 HydrophobicContact CZ-CB 4.26Å; F456-V532 HydrophobicContact CZ-CG1 4.4Å
457	H	97.8	Very high	95.5	Very high	29 Å²	29	58.2 Å²	58.2	13%	0.134	31%	0.311	C	S	.	.	H	α-helix	trans	-48	-49.1	172.4	174.5	-73.1	0	0	0	112.4	L426 D427 A430 I453 Q459 V460 N461 F606	L426-H457 HydrophobicContact CD1-CB 4.07Å; L426-H457 HydrophobicContact CG-CB 4.36Å; D427-H457 IonicContact OD1-CD2 3.42Å; D427-H457 IonicContact OD1-CE1 3.11Å; D427-H457 IonicContact OD1-NE2 2.97Å; D427-H457 PolarHBondContact OD1-NE2 3.46Å; A430-H457 HydrophobicContact CB-CB 3.56Å; A430-H457 WeakPolarHBondContact CB-CD2 2.98Å; I453-H457 VanDerWaalsContact O-CB 3.25Å; I453-H457 WeakPolarHBondContact O-CB 3.42Å; I453-H457 PolarHBondContact O-N 2.72Å; H457-Q459 VanDerWaalsContact C-N 3.28Å; H457-Q459 PolarHBondContact O-N 3.21Å; H457-V460 PolarHBondContact O-N 2.89Å; H457-V460 VanDerWaalsContact O-N 3.16Å; H457-N461 VanDerWaalsContact O-CB 3.3Å; H457-N461 WeakPolarHBondContact O-CB 3.09Å; H457-N461 PolarHBondContact O-N 3.09Å; H457-F606 AromaticContact CD2-CZ 3.89Å; H457-F606 AromaticContact CE1-CE1 3.59Å; H457-F606 AromaticContact CE1-CZ 3.94Å; H457-F606 AromaticContact NE2-CE1 3.55Å; H457-F606 AromaticContact NE2-CZ 3.66Å
458	T	97.3	Very high	95.8	Very high	80 Å²	80	56.2 Å²	56.2	49%	0.491	30%	0.302	S	S	.	.	H	α-helix	trans	-60	-35.1	177.9	-60.6	0	0	0	0	112.8	S454 F456 R462	S454-T458 WeakPolarHBondContact O-CB 3.46Å; S454-T458 PolarHBondContact O-N 2.88Å; S454-T458 PolarHBondContact O-OG1 2.83Å; F456-T458 VanDerWaalsContact C-N 3.29Å; F456-T458 PolarHBondContact O-N 2.89Å; T458-R462 WeakPolarHBondContact O-CB 3.34Å; T458-R462 PolarHBondContact O-N 3.04Å
459	Q	95.3	Very high	95.9	Very high	66 Å²	66	52.4 Å²	52.4	31%	0.308	28%	0.282	S	S	.	.	H	α-helix	trans	-74.5	-39	175.6	-70.3	176.2	86.3	0	0	112.7	N455 F456 H457 T463 A471	N455-Q459 WeakPolarHBondContact O-CG 3.38Å; N455-Q459 PolarHBondContact O-N 2.97Å; N455-Q459 PolarHBondContact O-NE2 2.89Å; F456-Q459 WeakPolarHBondContact O-CA 3.28Å; F456-Q459 WeakPolarHBondContact O-CB 3.48Å; F456-Q459 PolarHBondContact O-N 2.83Å; H457-Q459 VanDerWaalsContact C-N 3.28Å; H457-Q459 PolarHBondContact O-N 3.21Å; Q459-T463 WeakPolarHBondContact O-CG2 3.37Å; Q459-T463 PolarHBondContact O-N 2.7Å; Q459-T463 PolarHBondContact O-OG1 3.28Å; Q459-A471 HydrophobicContact CB-CB 4.36Å
460	V	96.6	Very high	96	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-60.8	-58.7	174	176.1	0	0	0	0	109.4	L426 F456 H457 R462 T463 Y464 Y469 V604 F606	L426-V460 HydrophobicContact CD2-CB 4.11Å; L426-V460 HydrophobicContact CD2-CG1 3.95Å; L426-V460 HydrophobicContact CD2-CG2 4.1Å; F456-V460 HydrophobicContact CD1-CG2 4.15Å; F456-V460 HydrophobicContact CD2-CG2 4.3Å; F456-V460 HydrophobicContact CE1-CG2 3.63Å; F456-V460 HydrophobicContact CE2-CG2 3.81Å; F456-V460 HydrophobicContact CG-CG2 4.45Å; F456-V460 HydrophobicContact CZ-CG2 3.43Å; F456-V460 VanDerWaalsContact CZ-CG2 3.43Å; F456-V460 WeakPolarHBondContact O-CG2 3.47Å; F456-V460 PolarHBondContact O-N 2.86Å; H457-V460 PolarHBondContact O-N 2.89Å; H457-V460 VanDerWaalsContact O-N 3.16Å; V460-R462 VanDerWaalsContact C-N 3.32Å; V460-R462 PolarHBondContact O-N 3.25Å; V460-T463 CarbonylContact O-C 3.14Å; V460-T463 PolarHBondContact O-N 3.15Å; V460-T463 PolarHBondContact O-OG1 2.79Å; V460-Y464 WeakPolarHBondContact O-CB 3.5Å; V460-Y464 PolarHBondContact O-N 3.19Å; V460-Y469 HydrophobicContact CB-CD2 4.38Å; V460-Y469 HydrophobicContact CB-CG 4.39Å; V460-Y469 HydrophobicContact CG1-CD1 3.59Å; V460-Y469 HydrophobicContact CG1-CD2 4.15Å; V460-Y469 HydrophobicContact CG1-CE1 3.96Å; V460-Y469 HydrophobicContact CG1-CG 3.71Å; V460-Y469 HydrophobicContact CG2-CD2 3.97Å; V460-Y469 HydrophobicContact CG2-CE1 4.3Å; V460-Y469 HydrophobicContact CG2-CE2 3.79Å; V460-Y469 HydrophobicContact CG2-CG 4.36Å; V460-V604 HydrophobicContact CG1-CG1 3.9Å; V460-F606 HydrophobicContact CB-CE2 4.23Å; V460-F606 HydrophobicContact CG1-CD2 4.15Å; V460-F606 HydrophobicContact CG1-CE2 3.54Å; V460-F606 HydrophobicContact CG1-CZ 4.46Å
461	N	96.3	Very high	95.9	Very high	79 Å²	79	49.3 Å²	49.3	42%	0.422	26%	0.258	S	S	.	.	H	α-helix	trans	-48.5	-50.9	178.3	-174.7	-19.3	0	0	0	112	H457 T463 Y464 F606	H457-N461 VanDerWaalsContact O-CB 3.3Å; H457-N461 WeakPolarHBondContact O-CB 3.09Å; H457-N461 PolarHBondContact O-N 3.09Å; N461-T463 PolarHBondContact O-N 3.24Å; N461-T463 VanDerWaalsContact O-N 3.1Å; N461-Y464 PolarHBondContact O-N 2.75Å; N461-F606 HydrophobicContact CB-CD1 3.65Å; N461-F606 HydrophobicContact CB-CD2 4.36Å; N461-F606 HydrophobicContact CB-CE1 3.54Å; N461-F606 HydrophobicContact CB-CE2 4.25Å; N461-F606 HydrophobicContact CB-CG 4.08Å; N461-F606 HydrophobicContact CB-CZ 3.86Å
462	R	95.4	Very high	95.7	Very high	220 Å²	220	48.3 Å²	48.3	83%	0.83	25%	0.252	S	S	*	.	H	α-helix	trans	-60.4	-22.9	179.2	179.5	174.5	178.6	-172	0.3	114.6	T458 V460	T458-R462 WeakPolarHBondContact O-CB 3.34Å; T458-R462 PolarHBondContact O-N 3.04Å; V460-R462 VanDerWaalsContact C-N 3.32Å; V460-R462 PolarHBondContact O-N 3.25Å
463	T	94.6	Very high	95.7	Very high	35 Å²	35	46.7 Å²	46.7	22%	0.215	24%	0.242	C	C	.	.	H	α-helix	trans	-119	-1.9	-173.9	64	0	0	0	0	114.3	Q459 V460 N461 R470 A471	Q459-T463 WeakPolarHBondContact O-CG2 3.37Å; Q459-T463 PolarHBondContact O-N 2.7Å; Q459-T463 PolarHBondContact O-OG1 3.28Å; V460-T463 CarbonylContact O-C 3.14Å; V460-T463 PolarHBondContact O-N 3.15Å; V460-T463 PolarHBondContact O-OG1 2.79Å; N461-T463 PolarHBondContact O-N 3.24Å; N461-T463 VanDerWaalsContact O-N 3.1Å; T463-R470 PolarHBondContact O-N 2.83Å; T463-R470 PolarHBondContact OG1-N 2.91Å; T463-R470 VanDerWaalsContact OG1-N 3.14Å; T463-A471 PolarHBondContact OG1-N 2.83Å
464	Y	95.9	Very high	95.7	Very high	23 Å²	23	46.8 Å²	46.8	9%	0.09	24%	0.242	C	C	.	.			trans	-69.3	140	177.5	-175	-87.7	0	0	0	111.7	V460 N461 G467 T468 V604 F606 E608 A691	V460-Y464 WeakPolarHBondContact O-CB 3.5Å; V460-Y464 PolarHBondContact O-N 3.19Å; N461-Y464 PolarHBondContact O-N 2.75Å; Y464-G467 WeakPolarHBondContact OH-CA 3.48Å; Y464-T468 CarbonylContact C-O 3.5Å; Y464-T468 WeakPolarHBondContact CA-O 3.44Å; Y464-V604 HydrophobicContact CD2-CG1 4.01Å; Y464-V604 HydrophobicContact CE2-CB 4.22Å; Y464-V604 HydrophobicContact CE2-CG1 3.92Å; Y464-V604 WeakPolarHBondContact CE2-O 3.3Å; Y464-V604 VanDerWaalsContact CZ-O 3.26Å; Y464-V604 PolarHBondContact OH-O 3.37Å; Y464-F606 HydrophobicContact CD1-CB 3.76Å; Y464-F606 HydrophobicContact CD2-CD2 4.01Å; Y464-F606 HydrophobicContact CE1-CB 4.24Å; Y464-F606 HydrophobicContact CG-CB 4Å; Y464-F606 AromaticContact CG-CD2 3.95Å; Y464-F606 HydrophobicContact CG-CD2 3.95Å; Y464-F606 HydrophobicContact CG-CG 4.44Å; Y464-E608 HydrophobicContact CE1-CB 4.14Å; Y464-E608 HydrophobicContact CE1-CG 4.04Å; Y464-E608 WeakPolarHBondContact CE1-OE2 3.44Å; Y464-A691 HydrophobicContact CE2-CB 4.46Å
465	C	93.7	Very high	95.5	Very high	68 Å²	68	49.9 Å²	49.9	46%	0.459	25%	0.248	S	C	.	.	B	Isolated β-bridge	trans	-165.1	131.9	174.8	-174.5	0	0	0	0	110.1	G467 T468	C465-G467 PolarHBondContact O-N 2.75Å; C465-T468 PolarHBondContact N-O 2.78Å; C465-T468 PolarHBondContact O-N 2.72Å; C465-T468 VanDerWaalsContact O-N 3.09Å
466	C	91.9	Very high	95.4	Very high	97 Å²	97	50.1 Å²	50.1	66%	0.655	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.2	22.5	174.4	-64.2	0	0	0	0	115.4	E608 R614	C466-E608 WeakPolarHBondContact CA-OE2 3.46Å; C466-E608 PolarHBondContact N-OE1 3.07Å; C466-E608 PolarHBondContact N-OE2 2.92Å; C466-R614 PolarHBondContact O-NH1 3.35Å; C466-R614 VanDerWaalsContact O-NH1 3.09Å
467	G	93.2	Very high	95.3	Very high	1 Å²	1	50.1 Å²	50.1	1%	0.01	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	96.5	5.9	-177.2	0	0	0	0	0	117.1	Y464 C465 E608 R614 S690 A691	Y464-G467 WeakPolarHBondContact OH-CA 3.48Å; C465-G467 PolarHBondContact O-N 2.75Å; G467-E608 PolarHBondContact N-OE2 3.43Å; G467-R614 VanDerWaalsContact CA-NH1 3.31Å; G467-S690 PolarHBondContact O-OG 2.91Å; G467-A691 WeakPolarHBondContact O-CB 3.45Å; G467-A691 PolarHBondContact O-N 3.05Å
468	T	96.3	Very high	95.3	Very high	36 Å²	36	48.9 Å²	48.9	22%	0.221	24%	0.241	C	C	.	.	B	Isolated β-bridge	trans	-128.2	160.6	168.2	59.2	0	0	0	0	110.8	Y464 C465 P534	Y464-T468 CarbonylContact C-O 3.5Å; Y464-T468 WeakPolarHBondContact CA-O 3.44Å; C465-T468 PolarHBondContact N-O 2.78Å; C465-T468 PolarHBondContact O-N 2.72Å; C465-T468 VanDerWaalsContact O-N 3.09Å; T468-P534 WeakPolarHBondContact CA-O 3.23Å; T468-P534 WeakPolarHBondContact CB-O 3.24Å
469	Y	95.8	Very high	95.3	Very high	1 Å²	1	45.1 Å²	45.1	0%	0.004	22%	0.218	C	C	.	.			trans	-129.2	157.2	174.6	66.5	-97	0	0	0	112.3	F456 V460 A471 V532 R533 P534 Q537 A691	F456-Y469 HydrophobicContact CZ-CE2 4.39Å; V460-Y469 HydrophobicContact CB-CD2 4.38Å; V460-Y469 HydrophobicContact CB-CG 4.39Å; V460-Y469 HydrophobicContact CG1-CD1 3.59Å; V460-Y469 HydrophobicContact CG1-CD2 4.15Å; V460-Y469 HydrophobicContact CG1-CE1 3.96Å; V460-Y469 HydrophobicContact CG1-CG 3.71Å; V460-Y469 HydrophobicContact CG2-CD2 3.97Å; V460-Y469 HydrophobicContact CG2-CE1 4.3Å; V460-Y469 HydrophobicContact CG2-CE2 3.79Å; V460-Y469 HydrophobicContact CG2-CG 4.36Å; Y469-A471 HydrophobicContact CD2-CB 3.85Å; Y469-A471 HydrophobicContact CE2-CB 4.03Å; Y469-A471 WeakPolarHBondContact CE2-O 3.34Å; Y469-V532 HydrophobicContact CE1-CG1 4.21Å; Y469-R533 WeakPolarHBondContact CE1-O 3.11Å; Y469-P534 HydrophobicContact CD1-CB 4.14Å; Y469-P534 HydrophobicContact CD2-CB 3.94Å; Y469-P534 VanDerWaalsContact CE1-CA 3.41Å; Y469-P534 HydrophobicContact CE1-CB 3.95Å; Y469-P534 HydrophobicContact CE2-CB 3.69Å; Y469-P534 HydrophobicContact CG-CB 4.13Å; Y469-P534 WeakPolarHBondContact O-CB 3.45Å; Y469-Q537 PolarHBondContact O-NE2 2.93Å; Y469-A691 HydrophobicContact CD1-CB 3.58Å; Y469-A691 HydrophobicContact CE1-CB 3.85Å
470	R	94.6	Very high	95.2	Very high	108 Å²	108	42.1 Å²	42.1	41%	0.408	20%	0.204	S	C	.	.	S	Bend	trans	-112	47	-177.4	-69.4	-179.1	-71.1	142.3	0.7	112.7	L443 T463 Q537 I539 D543	L443-R470 HydrophobicContact CD2-CB 4.42Å; T463-R470 PolarHBondContact O-N 2.83Å; T463-R470 PolarHBondContact OG1-N 2.91Å; T463-R470 VanDerWaalsContact OG1-N 3.14Å; R470-Q537 VanDerWaalsContact CG-OE1 3.27Å; R470-I539 HydrophobicContact CG-CD1 3.85Å; R470-D543 IonicContact CZ-OD2 3.37Å; R470-D543 IonicContact NH1-OD1 3.86Å; R470-D543 IonicContact NH1-OD2 2.81Å; R470-D543 PolarHBondContact NH1-OD2 2.91Å
471	A	93.1	Very high	94.9	Very high	9 Å²	9	43.2 Å²	43.2	7%	0.074	22%	0.215	C	C	.	.	S	Bend	trans	-115.4	168.4	156.2	0	0	0	0	0	107.5	Q459 T463 Y469	Q459-A471 HydrophobicContact CB-CB 4.36Å; T463-A471 PolarHBondContact OG1-N 2.83Å; Y469-A471 HydrophobicContact CD2-CB 3.85Å; Y469-A471 HydrophobicContact CE2-CB 4.03Å; Y469-A471 WeakPolarHBondContact CE2-O 3.34Å
472	G	93.9	Very high	94.1	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.01	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-80.7	166.8	176.1	0	0	0	0	0	112.5	E441	E441-G472 VanDerWaalsContact O-CA 3.25Å; E441-G472 WeakPolarHBondContact O-CA 3.38Å
473	P	96.6	Very high	93.2	Very high	2 Å²	2	35.5 Å²	35.5	1%	0.013	20%	0.2	C	C	.	.	P	Polyproline II helix	trans	-66.1	149.8	-177.4	27.2	-35.3	0	0	0	112.6	M440 E441 V532 F575	M440-P473 WeakPolarHBondContact CA-O 3.29Å; E441-P473 HydrophobicContact CB-CG 4.14Å; E441-P473 HydrophobicContact CG-CG 4.27Å; E441-P473 PolarHBondContact N-O 3.07Å; P473-V532 WeakPolarHBondContact CA-O 3.19Å; P473-F575 HydrophobicContact CG-CZ 4.36Å
474	M	97.2	Very high	92.4	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.005	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	134.6	163.3	-156.8	-177.2	85.8	0	0	108.9	V438 I453 F456 I477 M530 V532	V438-M474 HydrophobicContact CB-CG 3.99Å; V438-M474 HydrophobicContact CB-SD 3.85Å; V438-M474 HydrophobicContact CG1-CE 4.4Å; V438-M474 HydrophobicContact CG1-CG 4.42Å; V438-M474 HydrophobicContact CG1-SD 3.64Å; V438-M474 HydrophobicContact CG2-CG 4.44Å; V438-M474 HydrophobicContact CG2-SD 4.32Å; I453-M474 HydrophobicContact CD1-SD 4.35Å; F456-M474 HydrophobicContact CD1-CB 4.39Å; F456-M474 HydrophobicContact CD1-CG 4.37Å; F456-M474 HydrophobicContact CD1-SD 3.92Å; F456-M474 HydrophobicContact CE1-CB 3.81Å; F456-M474 HydrophobicContact CE1-CG 4.26Å; F456-M474 HydrophobicContact CE1-SD 4.05Å; F456-M474 HydrophobicContact CE2-CB 4.22Å; F456-M474 HydrophobicContact CZ-CB 3.72Å; F456-M474 HydrophobicContact CZ-CG 4.5Å; M474-I477 HydrophobicContact CE-CG1 4.34Å; M474-I477 HydrophobicContact CE-CG2 4.35Å; M474-M530 HydrophobicContact CE-CE 3.99Å; M474-V532 HydrophobicContact CB-CB 3.93Å; M474-V532 HydrophobicContact CB-CG2 4.28Å; M474-V532 HydrophobicContact CE-CG2 4.06Å; M474-V532 PolarHBondContact N-O 3.01Å; M474-V532 HydrophobicContact SD-CG2 4.21Å
475	R	95.3	Very high	91.6	Very high	106 Å²	106	48.6 Å²	48.6	40%	0.4	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	171	168	-65.9	-174.9	161.7	-146.4	-4	110.3	K439 E441 I448	K439-R475 HydrophobicContact CB-CB 4.3Å; K439-R475 WeakPolarHBondContact O-CB 3.26Å; K439-R475 PolarHBondContact O-N 3.26Å; E441-R475 HydrophobicContact CG-CG 4.24Å; E441-R475 IonicContact OE1-CZ 2.7Å; E441-R475 VanDerWaalsContact OE1-CZ 3.24Å; E441-R475 IonicContact OE1-NE 2.75Å; E441-R475 PolarHBondContact OE1-NE 2.71Å; E441-R475 IonicContact OE1-NH2 2.66Å; E441-R475 PolarHBondContact OE1-NH2 2.81Å; I448-R475 VanDerWaalsContact CD1-CZ 3.45Å
476	Q	95.1	Very high	91.1	Very high	90 Å²	90	49.1 Å²	49.1	42%	0.421	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	145.1	179	77.8	-164.3	42.4	0	0	112.2	E486 I529 M530 W531	Q476-E486 PolarHBondContact NE2-OE1 2.7Å; Q476-I529 HydrophobicContact CB-CB 4.38Å; Q476-I529 HydrophobicContact CB-CD1 4.18Å; Q476-M530 CarbonylContact C-O 3.56Å; Q476-M530 VanDerWaalsContact CA-O 3.29Å; Q476-M530 WeakPolarHBondContact CA-O 3.35Å; Q476-W531 HydrophobicContact CB-CB 4.38Å
477	I	96.1	Very high	91.1	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	144.4	159	66.4	172.3	0	0	0	109.8	T436 V438 M474 L479 V487 I529 M530	T436-I477 HydrophobicContact CG2-CD1 4.46Å; V438-I477 HydrophobicContact CG1-CG2 4.24Å; M474-I477 HydrophobicContact CE-CG1 4.34Å; M474-I477 HydrophobicContact CE-CG2 4.35Å; I477-L479 HydrophobicContact CD1-CD2 4.3Å; I477-L479 HydrophobicContact CG1-CD2 4.24Å; I477-V487 CarbonylContact C-O 3.57Å; I477-V487 WeakPolarHBondContact CA-O 3.34Å; I477-V487 VanDerWaalsContact CB-O 3.27Å; I477-V487 WeakPolarHBondContact CB-O 2.88Å; I477-V487 HydrophobicContact CG2-CB 4.21Å; I477-V487 HydrophobicContact CG2-CG1 4.42Å; I477-I529 CarbonylContact O-C 3.6Å; I477-I529 VanDerWaalsContact O-CA 3.26Å; I477-I529 WeakPolarHBondContact O-CA 3.42Å; I477-M530 HydrophobicContact CD1-CE 3.82Å; I477-M530 HydrophobicContact CG1-CB 4.16Å; I477-M530 HydrophobicContact CG1-CE 4.2Å; I477-M530 PolarHBondContact N-O 3.42Å; I477-M530 PolarHBondContact O-N 3.43Å
478	S	96.8	Very high	91	Very high	4 Å²	4	45.9 Å²	45.9	3%	0.028	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	142.5	168.7	173.2	0	0	0	0	110.6	V480 G481 V487 G488 D489	S478-V480 VanDerWaalsContact OG-CG2 3.3Å; S478-V480 WeakPolarHBondContact OG-CG2 3.32Å; S478-V480 PolarHBondContact OG-N 2.87Å; S478-G481 VanDerWaalsContact CB-O 3.23Å; S478-G481 WeakPolarHBondContact CB-O 3.42Å; S478-G481 PolarHBondContact OG-N 3.19Å; S478-G481 VanDerWaalsContact OG-N 3.12Å; S478-G481 PolarHBondContact OG-O 3.24Å; S478-V487 PolarHBondContact N-O 3.5Å; S478-G488 VanDerWaalsContact O-CA 3.27Å; S478-G488 WeakPolarHBondContact O-CA 3.39Å; S478-D489 PolarHBondContact O-N 2.83Å
479	L	96.9	Very high	90.9	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.254	C	S	.	.	S	Bend	trans	-103.3	-6.4	172.3	-55.7	-172.9	0	0	0	113.7	F429 I477 D489 F491 F494 L495 P528 M530 L695	F429-L479 HydrophobicContact CE1-CD2 4.22Å; F429-L479 HydrophobicContact CE2-CD2 4.25Å; F429-L479 HydrophobicContact CZ-CD1 4.28Å; F429-L479 HydrophobicContact CZ-CD2 3.73Å; I477-L479 HydrophobicContact CD1-CD2 4.3Å; I477-L479 HydrophobicContact CG1-CD2 4.24Å; L479-D489 CarbonylContact C-O 3.57Å; L479-F491 HydrophobicContact CB-CD2 4.15Å; L479-F491 HydrophobicContact CD2-CD2 3.7Å; L479-F491 HydrophobicContact CD2-CE2 3.79Å; L479-F491 PolarHBondContact O-N 3.42Å; L479-F491 VanDerWaalsContact O-N 3.14Å; L479-F494 HydrophobicContact CD1-CD1 3.73Å; L479-F494 HydrophobicContact CD1-CE1 3.55Å; L479-L495 HydrophobicContact CB-CD2 4.4Å; L479-P528 HydrophobicContact CD1-CB 4.48Å; L479-P528 PolarHBondContact N-O 2.73Å; L479-M530 HydrophobicContact CD1-CB 4.23Å; L479-M530 HydrophobicContact CD2-CB 4.07Å; L479-M530 HydrophobicContact CG-CB 4.25Å; L479-L695 HydrophobicContact CD1-CD2 3.6Å
480	V	94.8	Very high	90.9	Very high	4 Å²	4	52 Å²	52	2%	0.024	27%	0.267	C	S	.	.	B	Isolated β-bridge	trans	-99.8	-18.6	178.5	-72.1	0	0	0	0	112.6	S478 Y490 L495 W510 R521 S522 S524 G527	S478-V480 VanDerWaalsContact OG-CG2 3.3Å; S478-V480 WeakPolarHBondContact OG-CG2 3.32Å; S478-V480 PolarHBondContact OG-N 2.87Å; V480-Y490 VanDerWaalsContact O-CD2 3.31Å; V480-Y490 WeakPolarHBondContact O-CD2 3.22Å; V480-L495 HydrophobicContact CG1-CD1 4.07Å; V480-W510 HydrophobicContact CG1-CH2 3.7Å; V480-W510 HydrophobicContact CG1-CZ3 3.78Å; V480-R521 WeakPolarHBondContact CG1-O 3.2Å; V480-S522 WeakPolarHBondContact O-CA 3.26Å; V480-S522 WeakPolarHBondContact O-CB 3.42Å; V480-S524 WeakPolarHBondContact CG2-O 3.41Å; V480-G527 WeakPolarHBondContact CG1-O 3.4Å
481	G	88.4	Confident	91	Very high	22 Å²	22	47 Å²	47	23%	0.227	25%	0.248	C	C	.	.			trans	140.4	144.8	-178.1	0	0	0	0	0	111	S478 D489	S478-G481 VanDerWaalsContact CB-O 3.23Å; S478-G481 WeakPolarHBondContact CB-O 3.42Å; S478-G481 PolarHBondContact OG-N 3.19Å; S478-G481 VanDerWaalsContact OG-N 3.12Å; S478-G481 PolarHBondContact OG-O 3.24Å; G481-D489 PolarHBondContact N-O 3.48Å
482	A	81.4	Confident	91.2	Very high	51 Å²	51	48 Å²	48	42%	0.421	25%	0.254	S	S	.	.			trans	-86.8	137	179.5	0	0	0	0	0	111.8
483	V	75.3	Confident	91.3	Very high	86 Å²	86	53 Å²	53	52%	0.521	28%	0.277	S	S	.	.			trans	-119.4	138.1	174	-176.7	0	0	0	0	109.3	E485 E486	V483-E485 PolarHBondContact O-N 3.09Å; V483-E485 VanDerWaalsContact O-N 3.12Å; V483-E486 VanDerWaalsContact O-CB 3.27Å; V483-E486 WeakPolarHBondContact O-CB 2.89Å; V483-E486 PolarHBondContact O-N 3.34Å
484	D	78.9	Confident	91.4	Very high	167 Å²	167	53 Å²	53	89%	0.893	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.9	-107.6	178.5	-62.7	-32.7	0	0	0	115.5
485	E	77.9	Confident	91.4	Very high	166 Å²	166	52.9 Å²	52.9	78%	0.776	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.5	-2.8	179.6	-75.5	-157.2	-163.6	0	0	114	K439 V483	K439-E485 PolarHBondContact NZ-O 2.69Å; V483-E485 PolarHBondContact O-N 3.09Å; V483-E485 VanDerWaalsContact O-N 3.12Å
486	E	84.3	Confident	91.6	Very high	79 Å²	79	51.5 Å²	51.5	37%	0.369	28%	0.277	S	S	.	.			trans	-64.7	169	173.9	-66.6	-131.6	120.9	0	0	111.7	Q476 V483	Q476-E486 PolarHBondContact NE2-OE1 2.7Å; V483-E486 VanDerWaalsContact O-CB 3.27Å; V483-E486 WeakPolarHBondContact O-CB 2.89Å; V483-E486 PolarHBondContact O-N 3.34Å
487	V	90.6	Very high	91.7	Very high	17 Å²	17	49.3 Å²	49.3	10%	0.103	27%	0.267	C	S	.	.			trans	-134.1	148.7	178.4	-165.3	0	0	0	0	107.1	P437 K439 I477 S478	P437-V487 HydrophobicContact CB-CG1 3.87Å; P437-V487 HydrophobicContact CG-CG1 3.7Å; P437-V487 WeakPolarHBondContact O-CG1 3.33Å; K439-V487 HydrophobicContact CD-CG2 3.58Å; K439-V487 HydrophobicContact CG-CG2 3.95Å; I477-V487 CarbonylContact C-O 3.57Å; I477-V487 WeakPolarHBondContact CA-O 3.34Å; I477-V487 VanDerWaalsContact CB-O 3.27Å; I477-V487 WeakPolarHBondContact CB-O 2.88Å; I477-V487 HydrophobicContact CG2-CB 4.21Å; I477-V487 HydrophobicContact CG2-CG1 4.42Å; S478-V487 PolarHBondContact N-O 3.5Å
488	G	91.9	Very high	91.8	Very high	13 Å²	13	49.3 Å²	49.3	13%	0.134	27%	0.267	C	S	.	.	B	Isolated β-bridge	trans	143	-169	-172.5	0	0	0	0	0	110.9	S478	S478-G488 VanDerWaalsContact O-CA 3.27Å; S478-G488 WeakPolarHBondContact O-CA 3.39Å
489	D	94.1	Very high	91.8	Very high	93 Å²	93	51.5 Å²	51.5	50%	0.497	28%	0.277	S	S	.	.			trans	-156.7	178.9	174.6	-147.1	-28.4	0	0	0	108.5	S478 L479 G481 F491	S478-D489 PolarHBondContact O-N 2.83Å; L479-D489 CarbonylContact C-O 3.57Å; G481-D489 PolarHBondContact N-O 3.48Å; D489-F491 HydrophobicContact CB-CD1 4.45Å; D489-F491 HydrophobicContact CB-CD2 4.5Å; D489-F491 HydrophobicContact CB-CE1 3.79Å; D489-F491 HydrophobicContact CB-CE2 3.84Å; D489-F491 HydrophobicContact CB-CZ 3.44Å; D489-F491 VanDerWaalsContact CB-CZ 3.44Å; D489-F491 WeakPolarHBondContact O-CD2 3.46Å; D489-F491 WeakPolarHBondContact O-CE2 3.41Å
490	Y	95.8	Very high	91.8	Very high	74 Å²	74	57.9 Å²	57.9	29%	0.29	31%	0.307	S	S	.	.	B	Isolated β-bridge	trans	-90.2	114.1	169.1	-180	-126.8	0	0	0	110.1	V480 P492 L495 R521	V480-Y490 VanDerWaalsContact O-CD2 3.31Å; V480-Y490 WeakPolarHBondContact O-CD2 3.22Å; Y490-P492 VanDerWaalsContact C-CD 3.49Å; Y490-P492 HydrophobicContact CD1-CG 4.25Å; Y490-P492 HydrophobicContact CE1-CB 3.9Å; Y490-P492 HydrophobicContact CE1-CG 3.95Å; Y490-P492 WeakPolarHBondContact O-CD 3.4Å; Y490-L495 HydrophobicContact CD2-CD1 4.2Å; Y490-L495 HydrophobicContact CE2-CD1 3.7Å; Y490-R521 HydrophobicContact CE2-CB 4Å; Y490-R521 PolarHBondContact OH-NE 2.77Å
491	F	96.8	Very high	91.9	Very high	2 Å²	2	58 Å²	58	1%	0.009	31%	0.308	C	S	.	.			trans	-113.1	73.3	-177.4	-52.2	-80.1	0	0	0	111.7	F429 F433 T436 L479 D489 E493 F494 L495	F429-F491 HydrophobicContact CD1-CD1 4.34Å; F429-F491 HydrophobicContact CD1-CE1 4.2Å; F429-F491 HydrophobicContact CD1-CZ 4.32Å; F429-F491 HydrophobicContact CE1-CB 4.17Å; F429-F491 AromaticContact CE1-CD1 3.78Å; F429-F491 HydrophobicContact CE1-CD1 3.78Å; F429-F491 AromaticContact CE1-CD2 3.77Å; F429-F491 HydrophobicContact CE1-CD2 3.77Å; F429-F491 HydrophobicContact CE1-CE1 4.02Å; F429-F491 HydrophobicContact CE1-CE2 4.02Å; F429-F491 AromaticContact CE1-CG 3.65Å; F429-F491 HydrophobicContact CE1-CG 3.65Å; F429-F491 HydrophobicContact CE1-CZ 4.13Å; F429-F491 HydrophobicContact CZ-CD2 4.34Å; F429-F491 HydrophobicContact CZ-CG 4.4Å; F433-F491 HydrophobicContact CB-CE1 4.11Å; F433-F491 AromaticContact CD1-CD1 3.86Å; F433-F491 HydrophobicContact CD1-CD1 3.86Å; F433-F491 AromaticContact CD1-CE1 3.74Å; F433-F491 HydrophobicContact CD1-CE1 3.74Å; F433-F491 AromaticContact CD2-CD1 3.91Å; F433-F491 HydrophobicContact CD2-CD1 3.91Å; F433-F491 HydrophobicContact CD2-CE1 4.02Å; F433-F491 AromaticContact CE1-CD1 3.77Å; F433-F491 HydrophobicContact CE1-CD1 3.77Å; F433-F491 HydrophobicContact CE1-CE1 4.14Å; F433-F491 AromaticContact CE2-CD1 3.82Å; F433-F491 HydrophobicContact CE2-CD1 3.82Å; F433-F491 HydrophobicContact CE2-CE1 4.39Å; F433-F491 AromaticContact CG-CD1 3.93Å; F433-F491 HydrophobicContact CG-CD1 3.93Å; F433-F491 AromaticContact CG-CE1 3.68Å; F433-F491 HydrophobicContact CG-CE1 3.68Å; F433-F491 AromaticContact CZ-CD1 3.75Å; F433-F491 HydrophobicContact CZ-CD1 3.75Å; F433-F491 HydrophobicContact CZ-CE1 4.44Å; T436-F491 HydrophobicContact CG2-CZ 4.11Å; L479-F491 HydrophobicContact CB-CD2 4.15Å; L479-F491 HydrophobicContact CD2-CD2 3.7Å; L479-F491 HydrophobicContact CD2-CE2 3.79Å; L479-F491 PolarHBondContact O-N 3.42Å; L479-F491 VanDerWaalsContact O-N 3.14Å; D489-F491 HydrophobicContact CB-CD1 4.45Å; D489-F491 HydrophobicContact CB-CD2 4.5Å; D489-F491 HydrophobicContact CB-CE1 3.79Å; D489-F491 HydrophobicContact CB-CE2 3.84Å; D489-F491 HydrophobicContact CB-CZ 3.44Å; D489-F491 VanDerWaalsContact CB-CZ 3.44Å; D489-F491 WeakPolarHBondContact O-CD2 3.46Å; D489-F491 WeakPolarHBondContact O-CE2 3.41Å; F491-E493 VanDerWaalsContact C-N 3.32Å; F491-E493 PolarHBondContact O-N 2.86Å; F491-F494 HydrophobicContact CB-CB 4.12Å; F491-F494 PolarHBondContact O-N 3.22Å; F491-F494 VanDerWaalsContact O-N 3.09Å; F491-L495 PolarHBondContact O-N 3.19Å; F491-L495 VanDerWaalsContact O-N 3.11Å
492	P	96.6	Very high	92.4	Very high	30 Å²	30	58.3 Å²	58.3	20%	0.195	31%	0.306	C	S	.	.	H	α-helix	trans	-58.4	-39.6	-171.3	21.4	-30.8	0	0	0	113.3	Y490 F494 L495 D496 R521	Y490-P492 VanDerWaalsContact C-CD 3.49Å; Y490-P492 HydrophobicContact CD1-CG 4.25Å; Y490-P492 HydrophobicContact CE1-CB 3.9Å; Y490-P492 HydrophobicContact CE1-CG 3.95Å; Y490-P492 WeakPolarHBondContact O-CD 3.4Å; P492-F494 PolarHBondContact O-N 3.32Å; P492-L495 PolarHBondContact O-N 2.96Å; P492-L495 VanDerWaalsContact O-N 3.15Å; P492-D496 PolarHBondContact O-N 3.23Å; P492-R521 PolarHBondContact O-NH2 2.75Å
493	E	97.3	Very high	93.2	Very high	107 Å²	107	56 Å²	56	50%	0.5	29%	0.287	S	S	.	.	H	α-helix	trans	-66.1	-27.5	-179.4	-56.4	79.5	-175.8	0	0	112.5	F491 M497	F491-E493 VanDerWaalsContact C-N 3.32Å; F491-E493 PolarHBondContact O-N 2.86Å; E493-M497 PolarHBondContact O-N 2.88Å
494	F	97.9	Very high	94.3	Very high	0 Å²	0	52 Å²	52	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-80.1	-36.9	173.9	-173.4	-91.2	0	0	0	111.7	F425 Y428 F429 L479 F491 P492 D496 M497 L498 L695	F425-F494 AromaticContact CD1-CE2 3.83Å; F425-F494 HydrophobicContact CD1-CE2 3.83Å; F425-F494 AromaticContact CD1-CZ 3.58Å; F425-F494 HydrophobicContact CD1-CZ 3.58Å; F425-F494 HydrophobicContact CE1-CE2 4.16Å; F425-F494 AromaticContact CE1-CZ 3.68Å; F425-F494 HydrophobicContact CE1-CZ 3.68Å; F425-F494 HydrophobicContact CG-CZ 4.29Å; F425-F494 HydrophobicContact CZ-CZ 4.48Å; Y428-F494 AromaticContact CD1-CD2 3.67Å; Y428-F494 HydrophobicContact CD1-CD2 3.67Å; Y428-F494 HydrophobicContact CD1-CE2 4.08Å; Y428-F494 HydrophobicContact CE1-CB 4.08Å; Y428-F494 AromaticContact CE1-CD2 3.45Å; Y428-F494 HydrophobicContact CE1-CD2 3.45Å; Y428-F494 VanDerWaalsContact CE1-CD2 3.45Å; Y428-F494 HydrophobicContact CE1-CE2 4.32Å; Y428-F494 HydrophobicContact CE1-CG 4.15Å; Y428-F494 HydrophobicContact CG-CD2 4.39Å; Y428-F494 AromaticContact CZ-CD2 4Å; F429-F494 HydrophobicContact CE2-CD1 4.26Å; F429-F494 AromaticContact CE2-CD2 3.91Å; F429-F494 HydrophobicContact CE2-CD2 3.91Å; F429-F494 HydrophobicContact CE2-CE1 4.12Å; F429-F494 AromaticContact CE2-CE2 3.76Å; F429-F494 HydrophobicContact CE2-CE2 3.76Å; F429-F494 HydrophobicContact CE2-CG 4.14Å; F429-F494 AromaticContact CE2-CZ 3.87Å; F429-F494 HydrophobicContact CE2-CZ 3.87Å; F429-F494 HydrophobicContact CZ-CB 4.12Å; F429-F494 AromaticContact CZ-CD1 3.83Å; F429-F494 HydrophobicContact CZ-CD1 3.83Å; F429-F494 AromaticContact CZ-CD2 3.78Å; F429-F494 HydrophobicContact CZ-CD2 3.78Å; F429-F494 HydrophobicContact CZ-CE1 4.14Å; F429-F494 HydrophobicContact CZ-CE2 4.1Å; F429-F494 AromaticContact CZ-CG 3.62Å; F429-F494 HydrophobicContact CZ-CG 3.62Å; F429-F494 HydrophobicContact CZ-CZ 4.27Å; L479-F494 HydrophobicContact CD1-CD1 3.73Å; L479-F494 HydrophobicContact CD1-CE1 3.55Å; F491-F494 HydrophobicContact CB-CB 4.12Å; F491-F494 PolarHBondContact O-N 3.22Å; F491-F494 VanDerWaalsContact O-N 3.09Å; P492-F494 PolarHBondContact O-N 3.32Å; F494-D496 VanDerWaalsContact C-N 3.31Å; F494-M497 HydrophobicContact CB-CE 4.3Å; F494-M497 HydrophobicContact CD2-CE 3.56Å; F494-M497 HydrophobicContact CE2-CE 4.27Å; F494-M497 HydrophobicContact CG-CE 4.24Å; F494-M497 PolarHBondContact O-N 3.18Å; F494-L498 HydrophobicContact CD1-CD1 4.38Å; F494-L498 HydrophobicContact CD1-CG 4.41Å; F494-L498 HydrophobicContact CE1-CD1 4.14Å; F494-L498 HydrophobicContact CE1-CD2 4.18Å; F494-L498 HydrophobicContact CE1-CG 4.21Å; F494-L498 PolarHBondContact O-N 3.21Å; F494-L695 HydrophobicContact CE1-CD1 3.87Å; F494-L695 HydrophobicContact CE1-CD2 4.25Å; F494-L695 HydrophobicContact CZ-CD1 4.04Å
495	L	97.8	Very high	95.2	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-64.1	-37.6	172.4	-62.2	176.8	0	0	0	111.4	L479 V480 Y490 F491 P492 M497 L498 E499 W510 R521 P528	L479-L495 HydrophobicContact CB-CD2 4.4Å; V480-L495 HydrophobicContact CG1-CD1 4.07Å; Y490-L495 HydrophobicContact CD2-CD1 4.2Å; Y490-L495 HydrophobicContact CE2-CD1 3.7Å; F491-L495 PolarHBondContact O-N 3.19Å; F491-L495 VanDerWaalsContact O-N 3.11Å; P492-L495 PolarHBondContact O-N 2.96Å; P492-L495 VanDerWaalsContact O-N 3.15Å; L495-M497 VanDerWaalsContact C-N 3.32Å; L495-M497 PolarHBondContact O-N 2.81Å; L495-L498 HydrophobicContact CD2-CD1 4.19Å; L495-L498 WeakPolarHBondContact O-CB 3.36Å; L495-L498 PolarHBondContact O-N 3.27Å; L495-E499 PolarHBondContact O-N 2.8Å; L495-W510 HydrophobicContact CB-CZ2 4.48Å; L495-W510 HydrophobicContact CD1-CH2 4.08Å; L495-W510 HydrophobicContact CD1-CZ2 4.23Å; L495-W510 HydrophobicContact CD2-CH2 4.06Å; L495-W510 HydrophobicContact CD2-CZ2 4.23Å; L495-R521 HydrophobicContact CD1-CB 4.28Å; L495-P528 HydrophobicContact CD2-CG 4.17Å
496	D	98	Very high	96.1	Very high	77 Å²	77	42.1 Å²	42.1	41%	0.412	21%	0.209	S	C	.	.	H	α-helix	trans	-59.7	-41	174.5	-65	-21.1	0	0	0	111.4	P492 F494 L498 E499 E500 R521	P492-D496 PolarHBondContact O-N 3.23Å; F494-D496 VanDerWaalsContact C-N 3.31Å; D496-L498 PolarHBondContact O-N 2.78Å; D496-E499 PolarHBondContact O-N 2.86Å; D496-E499 VanDerWaalsContact O-N 3.16Å; D496-E500 PolarHBondContact O-N 3.49Å; D496-R521 IonicContact OD1-CZ 2.7Å; D496-R521 IonicContact OD1-NH1 2.79Å; D496-R521 PolarHBondContact OD1-NH1 2.71Å; D496-R521 IonicContact OD1-NH2 3.6Å; D496-R521 PolarHBondContact OD1-NH2 3.42Å; D496-R521 IonicContact OD2-NH2 2.73Å
497	M	98.1	Very high	96.8	Very high	43 Å²	43	38.3 Å²	38.3	21%	0.212	19%	0.191	C	C	.	.	H	α-helix	trans	-65.1	-34	172.6	-69.9	-172.3	-67.3	0	0	113	Y421 L422 P423 Y428 E493 F494 L495 E499 E500	Y421-M497 WeakPolarHBondContact CE2-O 3.2Å; Y421-M497 PolarHBondContact OH-O 3.19Å; L422-M497 HydrophobicContact CD2-CB 3.9Å; P423-M497 HydrophobicContact CG-CE 4.38Å; Y428-M497 HydrophobicContact CD2-CE 4.29Å; Y428-M497 HydrophobicContact CE1-CE 4.41Å; Y428-M497 HydrophobicContact CE2-CE 3.62Å; E493-M497 PolarHBondContact O-N 2.88Å; F494-M497 HydrophobicContact CB-CE 4.3Å; F494-M497 HydrophobicContact CD2-CE 3.56Å; F494-M497 HydrophobicContact CE2-CE 4.27Å; F494-M497 HydrophobicContact CG-CE 4.24Å; F494-M497 PolarHBondContact O-N 3.18Å; L495-M497 VanDerWaalsContact C-N 3.32Å; L495-M497 PolarHBondContact O-N 2.81Å; M497-E499 VanDerWaalsContact C-N 3.29Å; M497-E499 PolarHBondContact O-N 2.87Å; M497-E500 PolarHBondContact O-N 3.46Å
498	L	98	Very high	97.1	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-65.4	-35.7	172.6	-60.4	-179.5	0	0	0	111.2	L422 F494 L495 D496 E500 S501 L504 L508 P528 L695 W697	L422-L498 HydrophobicContact CD1-CD2 3.79Å; L422-L498 HydrophobicContact CD2-CD2 4.25Å; F494-L498 HydrophobicContact CD1-CD1 4.38Å; F494-L498 HydrophobicContact CD1-CG 4.41Å; F494-L498 HydrophobicContact CE1-CD1 4.14Å; F494-L498 HydrophobicContact CE1-CD2 4.18Å; F494-L498 HydrophobicContact CE1-CG 4.21Å; F494-L498 PolarHBondContact O-N 3.21Å; L495-L498 HydrophobicContact CD2-CD1 4.19Å; L495-L498 WeakPolarHBondContact O-CB 3.36Å; L495-L498 PolarHBondContact O-N 3.27Å; D496-L498 PolarHBondContact O-N 2.78Å; L498-E500 VanDerWaalsContact C-N 3.26Å; L498-E500 PolarHBondContact O-N 2.75Å; L498-S501 PolarHBondContact O-N 3.34Å; L498-L504 HydrophobicContact CB-CD1 4.49Å; L498-L504 HydrophobicContact CD2-CD1 4.23Å; L498-L504 VanDerWaalsContact O-CB 3.29Å; L498-L504 WeakPolarHBondContact O-CB 3.09Å; L498-L508 HydrophobicContact CB-CD1 4.28Å; L498-P528 HydrophobicContact CD1-CG 4.15Å; L498-L695 HydrophobicContact CD1-CD1 4.14Å; L498-L695 HydrophobicContact CD2-CD1 3.66Å; L498-W697 HydrophobicContact CD1-CZ3 4.34Å
499	E	96.9	Very high	97.3	Very high	50 Å²	50	36.9 Å²	36.9	23%	0.234	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-7.3	178.3	-69.8	179.7	-143.4	0	0	114.7	L495 D496 M497 K505 L508 W510 R521	L495-E499 PolarHBondContact O-N 2.8Å; D496-E499 PolarHBondContact O-N 2.86Å; D496-E499 VanDerWaalsContact O-N 3.16Å; M497-E499 VanDerWaalsContact C-N 3.29Å; M497-E499 PolarHBondContact O-N 2.87Å; E499-K505 HydrophobicContact CB-CG 4.48Å; E499-K505 WeakPolarHBondContact O-CD 3.38Å; E499-L508 HydrophobicContact CG-CD1 3.54Å; E499-W510 PolarHBondContact OE1-NE1 3.11Å; E499-R521 WeakPolarHBondContact OE1-CD 3.24Å; E499-R521 IonicContact OE1-CZ 3.5Å; E499-R521 IonicContact OE1-NH1 2.73Å; E499-R521 PolarHBondContact OE1-NH1 3.38Å; E499-R521 IonicContact OE2-NH1 3.76Å
500	E	97.1	Very high	97.4	Very high	134 Å²	134	35.2 Å²	35.2	63%	0.626	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-31.3	170.8	-65.5	-173.1	154.9	0	0	112.8	Y421 D496 M497 L498	Y421-E500 HydrophobicContact CE2-CB 3.87Å; D496-E500 PolarHBondContact O-N 3.49Å; M497-E500 PolarHBondContact O-N 3.46Å; L498-E500 VanDerWaalsContact C-N 3.26Å; L498-E500 PolarHBondContact O-N 2.75Å
501	S	97.5	Very high	97.4	Very high	8 Å²	8	32 Å²	32	6%	0.056	16%	0.157	C	C	.	.	S	Bend	trans	-78.9	123.2	177.2	172.7	0	0	0	0	110.5	Y421 L498 F503 L504 K505	Y421-S501 VanDerWaalsContact OH-CB 3.29Å; Y421-S501 WeakPolarHBondContact OH-CB 3.42Å; Y421-S501 PolarHBondContact OH-N 3.1Å; L498-S501 PolarHBondContact O-N 3.34Å; S501-F503 PolarHBondContact O-N 3.26Å; S501-L504 PolarHBondContact O-N 2.86Å; S501-L504 VanDerWaalsContact O-N 3.09Å; S501-K505 VanDerWaalsContact O-CB 3.26Å; S501-K505 WeakPolarHBondContact O-CB 3.18Å; S501-K505 PolarHBondContact O-N 3.04Å
502	P	97.4	Very high	97.4	Very high	28 Å²	28	36.1 Å²	36.1	18%	0.182	18%	0.182	C	C	.	.	H	α-helix	trans	-61.6	-32.5	-178.5	22.4	-31.2	0	0	0	112.3	M388 E389 M506	M388-P502 HydrophobicContact CG-CG 3.72Å; E389-P502 HydrophobicContact CG-CB 4.37Å; P502-M506 VanDerWaalsContact O-CE 3.29Å; P502-M506 WeakPolarHBondContact O-CE 3.25Å; P502-M506 WeakPolarHBondContact O-CG 3.37Å; P502-M506 PolarHBondContact O-N 3.35Å
503	F	98.3	Very high	97.4	Very high	3 Å²	3	37.3 Å²	37.3	1%	0.013	19%	0.187	C	C	.	.	H	α-helix	trans	-64.6	-46.1	174.5	-54.1	-87.1	0	0	0	112.1	L380 M388 F391 S392 F395 V415 S501 T507 F677	L380-F503 HydrophobicContact CD1-CZ 3.99Å; M388-F503 HydrophobicContact SD-CE2 4.27Å; M388-F503 HydrophobicContact SD-CZ 4.46Å; F391-F503 AromaticContact CD1-CE1 3.95Å; F391-F503 HydrophobicContact CD1-CE1 3.95Å; F391-F503 AromaticContact CD1-CZ 3.72Å; F391-F503 HydrophobicContact CD1-CZ 3.72Å; F391-F503 AromaticContact CE1-CE1 3.83Å; F391-F503 HydrophobicContact CE1-CE1 3.83Å; F391-F503 AromaticContact CE1-CZ 3.73Å; F391-F503 HydrophobicContact CE1-CZ 3.73Å; S392-F503 WeakPolarHBondContact OG-CD1 3.24Å; S392-F503 WeakPolarHBondContact OG-CE1 3.46Å; S392-F503 WeakPolarHBondContact OG-CE2 3.28Å; S392-F503 VanDerWaalsContact OG-CZ 3.23Å; S392-F503 WeakPolarHBondContact OG-CZ 3.26Å; F395-F503 HydrophobicContact CB-CE1 4.42Å; F395-F503 HydrophobicContact CD1-CD1 4.45Å; F395-F503 HydrophobicContact CD1-CE1 4.2Å; F395-F503 HydrophobicContact CG-CE1 4.43Å; V415-F503 HydrophobicContact CG1-CE2 4.19Å; V415-F503 HydrophobicContact CG1-CZ 4.03Å; V415-F503 HydrophobicContact CG2-CD1 4.06Å; V415-F503 HydrophobicContact CG2-CE1 3.8Å; V415-F503 HydrophobicContact CG2-CZ 4.09Å; S501-F503 PolarHBondContact O-N 3.26Å; F503-T507 WeakPolarHBondContact O-CB 3.33Å; F503-T507 WeakPolarHBondContact O-CG2 3.41Å; F503-T507 PolarHBondContact O-N 3.43Å; F503-T507 PolarHBondContact O-OG1 2.66Å; F503-F677 HydrophobicContact CB-CZ 3.98Å
504	L	98.4	Very high	97.3	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-74.8	-43.1	-177.2	-58.4	-174.4	0	0	0	111.4	L498 S501 M506 T507 L508 V598 V600 I675 W697	L498-L504 HydrophobicContact CB-CD1 4.49Å; L498-L504 HydrophobicContact CD2-CD1 4.23Å; L498-L504 VanDerWaalsContact O-CB 3.29Å; L498-L504 WeakPolarHBondContact O-CB 3.09Å; S501-L504 PolarHBondContact O-N 2.86Å; S501-L504 VanDerWaalsContact O-N 3.09Å; L504-M506 PolarHBondContact O-N 3.3Å; L504-T507 CarbonylContact O-C 3.5Å; L504-T507 PolarHBondContact O-N 3.44Å; L504-T507 PolarHBondContact O-OG1 3.35Å; L504-L508 WeakPolarHBondContact O-CG 3.33Å; L504-L508 PolarHBondContact O-N 2.97Å; L504-V598 HydrophobicContact CD2-CG1 4.19Å; L504-V600 HydrophobicContact CD1-CG2 4.04Å; L504-V600 HydrophobicContact CD2-CG2 3.99Å; L504-I675 HydrophobicContact CD1-CD1 4.11Å; L504-I675 HydrophobicContact CD2-CD1 3.94Å; L504-I675 HydrophobicContact CD2-CG1 4.48Å; L504-I675 HydrophobicContact CD2-CG2 3.61Å; L504-I675 HydrophobicContact CG-CD1 3.98Å; L504-W697 HydrophobicContact CB-CH2 4.47Å; L504-W697 HydrophobicContact CB-CZ2 4.37Å; L504-W697 HydrophobicContact CD1-CH2 4.28Å; L504-W697 HydrophobicContact CD2-CH2 3.77Å; L504-W697 HydrophobicContact CD2-CZ2 3.82Å; L504-W697 HydrophobicContact CG-CH2 4.38Å
505	K	97.7	Very high	97.1	Very high	107 Å²	107	34.5 Å²	34.5	47%	0.465	18%	0.178	S	C	.	.	H	α-helix	trans	-52.8	-37	175.2	-170.4	-175.9	-168.5	170.5	0	113.3	E499 S501 G511	E499-K505 HydrophobicContact CB-CG 4.48Å; E499-K505 WeakPolarHBondContact O-CD 3.38Å; S501-K505 VanDerWaalsContact O-CB 3.26Å; S501-K505 WeakPolarHBondContact O-CB 3.18Å; S501-K505 PolarHBondContact O-N 3.04Å; K505-G511 WeakPolarHBondContact O-CA 3.47Å
506	M	97.8	Very high	96.7	Very high	19 Å²	19	36.3 Å²	36.3	9%	0.094	19%	0.188	C	C	.	.	H	α-helix	trans	-79	-25.8	175.9	-70.3	-163.5	-88.2	0	0	113.6	E393 L396 P502 L504 G511 T512 L513	E393-M506 HydrophobicContact CG-CE 4.06Å; E393-M506 HydrophobicContact CG-SD 3.9Å; L396-M506 HydrophobicContact CD1-CB 4.05Å; L396-M506 HydrophobicContact CD1-CE 4.01Å; P502-M506 VanDerWaalsContact O-CE 3.29Å; P502-M506 WeakPolarHBondContact O-CE 3.25Å; P502-M506 WeakPolarHBondContact O-CG 3.37Å; P502-M506 PolarHBondContact O-N 3.35Å; L504-M506 PolarHBondContact O-N 3.3Å; M506-G511 CarbonylContact O-C 3.49Å; M506-T512 VanDerWaalsContact CG-OG1 3.32Å; M506-T512 WeakPolarHBondContact CG-OG1 3.46Å; M506-T512 PolarHBondContact O-N 2.97Å; M506-L513 HydrophobicContact CB-CD1 4.11Å; M506-L513 HydrophobicContact CB-CG 4.18Å; M506-L513 WeakPolarHBondContact O-CB 3.33Å; M506-L513 PolarHBondContact O-N 2.84Å
507	T	98.2	Very high	96.3	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-112.7	-2.6	-169	59.7	0	0	0	0	115.9	L396 F400 F503 L504 L513 F677 W697 I699	L396-T507 HydrophobicContact CD1-CG2 3.64Å; L396-T507 HydrophobicContact CD2-CG2 3.86Å; L396-T507 HydrophobicContact CG-CG2 4.37Å; F400-T507 HydrophobicContact CE2-CG2 4.2Å; F503-T507 WeakPolarHBondContact O-CB 3.33Å; F503-T507 WeakPolarHBondContact O-CG2 3.41Å; F503-T507 PolarHBondContact O-N 3.43Å; F503-T507 PolarHBondContact O-OG1 2.66Å; L504-T507 CarbonylContact O-C 3.5Å; L504-T507 PolarHBondContact O-N 3.44Å; L504-T507 PolarHBondContact O-OG1 3.35Å; T507-L513 HydrophobicContact CG2-CD1 4.11Å; T507-F677 HydrophobicContact CG2-CD1 4.42Å; T507-F677 HydrophobicContact CG2-CE1 4.06Å; T507-W697 PolarHBondContact O-NE1 3.24Å; T507-I699 WeakPolarHBondContact O-CD1 3.16Å
508	L	97.8	Very high	95.8	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.209	C	C	.	.	S	Bend	trans	-59.7	160.9	166.6	-80.8	162	0	0	0	111.3	L498 E499 L504 W510 G511 P528 W697	L498-L508 HydrophobicContact CB-CD1 4.28Å; E499-L508 HydrophobicContact CG-CD1 3.54Å; L504-L508 WeakPolarHBondContact O-CG 3.33Å; L504-L508 PolarHBondContact O-N 2.97Å; L508-W510 HydrophobicContact CB-CD2 4.46Å; L508-W510 HydrophobicContact CB-CZ2 4.45Å; L508-W510 HydrophobicContact CD1-CZ2 4.21Å; L508-W510 HydrophobicContact CD2-CH2 4.33Å; L508-W510 HydrophobicContact CD2-CZ2 4.07Å; L508-W510 HydrophobicContact CG-CZ2 4.49Å; L508-W510 PolarHBondContact O-N 2.87Å; L508-W510 VanDerWaalsContact O-N 3.09Å; L508-G511 WeakPolarHBondContact O-CA 3.35Å; L508-G511 PolarHBondContact O-N 3.25Å; L508-P528 HydrophobicContact CD2-CG 3.59Å; L508-W697 HydrophobicContact CD2-CD2 4.08Å; L508-W697 HydrophobicContact CD2-CE3 4.37Å; L508-W697 HydrophobicContact CD2-CH2 4.02Å; L508-W697 HydrophobicContact CD2-CZ2 3.71Å; L508-W697 HydrophobicContact CD2-CZ3 4.35Å; L508-W697 HydrophobicContact CG-CZ2 3.97Å
509	P	96.7	Very high	95.3	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-23.5	-178.2	-26.5	36.4	0	0	0	114.8	S514 L516 S524 D526 W697	P509-S514 WeakPolarHBondContact O-CB 3.32Å; P509-S514 PolarHBondContact O-OG 3.31Å; P509-L516 HydrophobicContact CB-CD1 4.32Å; P509-S524 WeakPolarHBondContact CB-OG 3.35Å; P509-D526 HydrophobicContact CB-CB 4.1Å; P509-D526 HydrophobicContact CG-CB 3.99Å; P509-W697 HydrophobicContact CG-CB 4.16Å; P509-W697 HydrophobicContact CG-CG 4.35Å
510	W	96.3	Very high	94.9	Very high	57 Å²	57	51.3 Å²	51.3	22%	0.216	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.6	6.4	171.7	51.6	90.4	0	0	0	113.7	V480 L495 E499 L508 L518 R521 P528	V480-W510 HydrophobicContact CG1-CH2 3.7Å; V480-W510 HydrophobicContact CG1-CZ3 3.78Å; L495-W510 HydrophobicContact CB-CZ2 4.48Å; L495-W510 HydrophobicContact CD1-CH2 4.08Å; L495-W510 HydrophobicContact CD1-CZ2 4.23Å; L495-W510 HydrophobicContact CD2-CH2 4.06Å; L495-W510 HydrophobicContact CD2-CZ2 4.23Å; E499-W510 PolarHBondContact OE1-NE1 3.11Å; L508-W510 HydrophobicContact CB-CD2 4.46Å; L508-W510 HydrophobicContact CB-CZ2 4.45Å; L508-W510 HydrophobicContact CD1-CZ2 4.21Å; L508-W510 HydrophobicContact CD2-CH2 4.33Å; L508-W510 HydrophobicContact CD2-CZ2 4.07Å; L508-W510 HydrophobicContact CG-CZ2 4.49Å; L508-W510 PolarHBondContact O-N 2.87Å; L508-W510 VanDerWaalsContact O-N 3.09Å; W510-L518 HydrophobicContact CE3-CD1 4.24Å; W510-R521 HydrophobicContact CD2-CB 4.23Å; W510-R521 HydrophobicContact CD2-CG 3.81Å; W510-R521 VanDerWaalsContact CE2-CD 3.42Å; W510-R521 HydrophobicContact CE3-CB 4.18Å; W510-R521 HydrophobicContact CE3-CG 4.27Å; W510-R521 HydrophobicContact CG-CG 4.18Å; W510-R521 HydrophobicContact CH2-CB 4.08Å; W510-R521 HydrophobicContact CH2-CG 4.41Å; W510-R521 HydrophobicContact CZ2-CB 4.13Å; W510-R521 HydrophobicContact CZ2-CG 3.97Å; W510-R521 HydrophobicContact CZ3-CB 4.11Å; W510-P528 HydrophobicContact CH2-CG 4.47Å
511	G	95.9	Very high	94.8	Very high	8 Å²	8	47 Å²	47	8%	0.082	23%	0.23	C	C	.	.	S	Bend	trans	-70.9	166.2	-178.7	0	0	0	0	0	113.9	K505 M506 L508 L513 S514	K505-G511 WeakPolarHBondContact O-CA 3.47Å; M506-G511 CarbonylContact O-C 3.49Å; L508-G511 WeakPolarHBondContact O-CA 3.35Å; L508-G511 PolarHBondContact O-N 3.25Å; G511-L513 PolarHBondContact O-N 3.44Å; G511-L513 VanDerWaalsContact O-N 3.1Å; G511-S514 WeakPolarHBondContact O-CB 3.35Å; G511-S514 PolarHBondContact O-N 3.01Å
512	T	95.8	Very high	94.6	Very high	87 Å²	87	49.2 Å²	49.2	53%	0.534	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-21.2	-171.5	57.2	0	0	0	0	114.7	M506 K702	M506-T512 VanDerWaalsContact CG-OG1 3.32Å; M506-T512 WeakPolarHBondContact CG-OG1 3.46Å; M506-T512 PolarHBondContact O-N 2.97Å; T512-K702 VanDerWaalsContact O-CE 3.29Å; T512-K702 WeakPolarHBondContact O-CE 3.27Å; T512-K702 PolarHBondContact O-NZ 3.13Å
513	L	96.3	Very high	94.2	Very high	56 Å²	56	52.8 Å²	52.8	29%	0.293	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-12.4	177	-57.7	176	0	0	0	113.6	L396 M506 T507 G511 I699 L701 K702	L396-L513 HydrophobicContact CB-CD1 4.13Å; L396-L513 HydrophobicContact CD1-CD1 3.95Å; M506-L513 HydrophobicContact CB-CD1 4.11Å; M506-L513 HydrophobicContact CB-CG 4.18Å; M506-L513 WeakPolarHBondContact O-CB 3.33Å; M506-L513 PolarHBondContact O-N 2.84Å; T507-L513 HydrophobicContact CG2-CD1 4.11Å; G511-L513 PolarHBondContact O-N 3.44Å; G511-L513 VanDerWaalsContact O-N 3.1Å; L513-I699 HydrophobicContact CB-CD1 4.07Å; L513-L701 HydrophobicContact CB-CD2 3.64Å; L513-L701 HydrophobicContact CD1-CD2 4.45Å; L513-L701 WeakPolarHBondContact O-CA 3.46Å; L513-K702 WeakPolarHBondContact O-CG 3.48Å; L513-K702 PolarHBondContact O-N 3.5Å
514	S	95.3	Very high	93.9	Very high	3 Å²	3	53.1 Å²	53.1	2%	0.021	26%	0.263	C	S	.	.	B	Isolated β-bridge	trans	-78.6	139	-178.3	-176.3	0	0	0	0	112.8	P509 G511 L516 K702	P509-S514 WeakPolarHBondContact O-CB 3.32Å; P509-S514 PolarHBondContact O-OG 3.31Å; G511-S514 WeakPolarHBondContact O-CB 3.35Å; G511-S514 PolarHBondContact O-N 3.01Å; S514-L516 VanDerWaalsContact C-N 3.32Å; S514-L516 PolarHBondContact OG-N 2.85Å; S514-K702 WeakPolarHBondContact O-CE 3.4Å
515	S	93.7	Very high	93.5	Very high	44 Å²	44	59.9 Å²	59.9	31%	0.308	30%	0.299	S	S	.	.			trans	-76.1	-20	173.6	68.2	0	0	0	0	112.9	R700	S515-R700 WeakPolarHBondContact CB-O 3.34Å; S515-R700 PolarHBondContact N-O 3.29Å; S515-R700 WeakPolarHBondContact OG-CB 3.41Å; S515-R700 PolarHBondContact OG-O 3.1Å
516	L	90.4	Very high	93.3	Very high	38 Å²	38	55.2 Å²	55.2	20%	0.199	28%	0.279	C	S	.	.			trans	-63.4	143	-178.5	-70	178.7	0	0	0	112.3	P509 S514 L518 D526 R700	P509-L516 HydrophobicContact CB-CD1 4.32Å; S514-L516 VanDerWaalsContact C-N 3.32Å; S514-L516 PolarHBondContact OG-N 2.85Å; L516-L518 HydrophobicContact CB-CG 4.45Å; L516-D526 WeakPolarHBondContact CD1-OD2 3.21Å; L516-R700 HydrophobicContact CG-CG 4.42Å
517	R	88	Confident	93.1	Very high	208 Å²	208	54.5 Å²	54.5	79%	0.785	28%	0.277	S	S	*	.			trans	-123.8	77.8	177.5	-61.6	-58.4	-167.1	156	8.5	109.8
518	L	88.1	Confident	93	Very high	52 Å²	52	54.5 Å²	54.5	27%	0.272	28%	0.277	S	S	.	.			trans	-81.3	149.1	177.8	-53.5	179.2	0	0	0	110.8	W510 L516	W510-L518 HydrophobicContact CE3-CD1 4.24Å; L516-L518 HydrophobicContact CB-CG 4.45Å
519	Q	87.3	Confident	93	Very high	178 Å²	178	56.1 Å²	56.1	83%	0.832	29%	0.285	S	S	*	.	S	Bend	trans	-88.8	-27.9	171.8	-59.6	-64.6	-35.9	0	0	111.5
520	C	90.1	Very high	93.1	Very high	48 Å²	48	56.1 Å²	56.1	32%	0.324	29%	0.285	S	S	.	.	S	Bend	trans	-138.1	150.4	171.5	-173.2	0	0	0	0	110.4	S522 Q523	C520-S522 PolarHBondContact O-N 2.8Å; C520-S522 PolarHBondContact SG-OG 3.08Å; C520-Q523 HydrophobicContact CB-CG 4.23Å; C520-Q523 WeakPolarHBondContact O-CB 3.49Å; C520-Q523 PolarHBondContact O-N 3.09Å
521	R	94.3	Very high	93.1	Very high	42 Å²	42	55.9 Å²	55.9	16%	0.158	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-55.2	-33.3	171.5	-60.1	-169.6	-71.4	-159.2	2.2	111.9	V480 Y490 P492 L495 D496 E499 W510 Q523 S524	V480-R521 WeakPolarHBondContact CG1-O 3.2Å; Y490-R521 HydrophobicContact CE2-CB 4Å; Y490-R521 PolarHBondContact OH-NE 2.77Å; P492-R521 PolarHBondContact O-NH2 2.75Å; L495-R521 HydrophobicContact CD1-CB 4.28Å; D496-R521 IonicContact OD1-CZ 2.7Å; D496-R521 IonicContact OD1-NH1 2.79Å; D496-R521 PolarHBondContact OD1-NH1 2.71Å; D496-R521 IonicContact OD1-NH2 3.6Å; D496-R521 PolarHBondContact OD1-NH2 3.42Å; D496-R521 IonicContact OD2-NH2 2.73Å; E499-R521 WeakPolarHBondContact OE1-CD 3.24Å; E499-R521 IonicContact OE1-CZ 3.5Å; E499-R521 IonicContact OE1-NH1 2.73Å; E499-R521 PolarHBondContact OE1-NH1 3.38Å; E499-R521 IonicContact OE2-NH1 3.76Å; W510-R521 HydrophobicContact CD2-CB 4.23Å; W510-R521 HydrophobicContact CD2-CG 3.81Å; W510-R521 VanDerWaalsContact CE2-CD 3.42Å; W510-R521 HydrophobicContact CE3-CB 4.18Å; W510-R521 HydrophobicContact CE3-CG 4.27Å; W510-R521 HydrophobicContact CG-CG 4.18Å; W510-R521 HydrophobicContact CH2-CB 4.08Å; W510-R521 HydrophobicContact CH2-CG 4.41Å; W510-R521 HydrophobicContact CZ2-CB 4.13Å; W510-R521 HydrophobicContact CZ2-CG 3.97Å; W510-R521 HydrophobicContact CZ3-CB 4.11Å; R521-Q523 PolarHBondContact O-N 2.84Å; R521-S524 PolarHBondContact O-N 2.98Å
522	S	92.7	Very high	93.3	Very high	55 Å²	55	55.5 Å²	55.5	39%	0.385	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-73.5	14.8	179	75.8	0	0	0	0	115.7	V480 C520	V480-S522 WeakPolarHBondContact O-CA 3.26Å; V480-S522 WeakPolarHBondContact O-CB 3.42Å; C520-S522 PolarHBondContact O-N 2.8Å; C520-S522 PolarHBondContact SG-OG 3.08Å
523	Q	89.7	Confident	93.4	Very high	104 Å²	104	53.5 Å²	53.5	49%	0.486	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-119.8	18.5	178.2	-62.1	175.7	-38.4	0	0	111.5	C520 R521	C520-Q523 HydrophobicContact CB-CG 4.23Å; C520-Q523 WeakPolarHBondContact O-CB 3.49Å; C520-Q523 PolarHBondContact O-N 3.09Å; R521-Q523 PolarHBondContact O-N 2.84Å
524	S	91.6	Very high	93.4	Very high	10 Å²	10	50.9 Å²	50.9	7%	0.07	25%	0.249	C	C	.	.			trans	-96.7	113.7	-178.2	-161	0	0	0	0	112.1	V480 P509 R521 D526	V480-S524 WeakPolarHBondContact CG2-O 3.41Å; P509-S524 WeakPolarHBondContact CB-OG 3.35Å; R521-S524 PolarHBondContact O-N 2.98Å; S524-D526 PolarHBondContact O-N 2.89Å; S524-D526 PolarHBondContact OG-N 2.85Å
525	D	90.2	Very high	93.5	Very high	142 Å²	142	50.7 Å²	50.7	76%	0.759	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-9.7	168.8	-48.8	-53.2	0	0	0	112.5
526	D	93	Very high	93.6	Very high	8 Å²	8	50.6 Å²	50.6	4%	0.043	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-2.7	-176.1	-76.2	4.9	0	0	0	113.1	P509 L516 S524 W697 H698 R700	P509-D526 HydrophobicContact CB-CB 4.1Å; P509-D526 HydrophobicContact CG-CB 3.99Å; L516-D526 WeakPolarHBondContact CD1-OD2 3.21Å; S524-D526 PolarHBondContact O-N 2.89Å; S524-D526 PolarHBondContact OG-N 2.85Å; D526-W697 CarbonylContact O-C 3.18Å; D526-W697 WeakPolarHBondContact O-CA 3.41Å; D526-W697 WeakPolarHBondContact O-CB 3.14Å; D526-H698 HydrophobicContact CB-CB 4.03Å; D526-H698 PolarHBondContact O-N 3.21Å; D526-R700 IonicContact OD1-CZ 3.74Å; D526-R700 IonicContact OD1-NE 3.99Å; D526-R700 PolarHBondContact OD1-NE 2.79Å; D526-R700 IonicContact OD1-NH2 3.46Å; D526-R700 PolarHBondContact OD1-NH2 3.33Å; D526-R700 WeakPolarHBondContact OD2-CG 3.37Å; D526-R700 IonicContact OD2-CZ 3.45Å; D526-R700 IonicContact OD2-NE 3.36Å; D526-R700 PolarHBondContact OD2-NE 3.45Å; D526-R700 IonicContact OD2-NH2 2.72Å
527	G	93.4	Very high	93.9	Very high	5 Å²	5	50 Å²	50	5%	0.052	24%	0.239	C	C	.	.			trans	104.8	-160.7	-178.6	0	0	0	0	0	113.8	V480	V480-G527 WeakPolarHBondContact CG1-O 3.4Å
528	P	97.3	Very high	94.2	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.224	C	C	.	.			cis	-66	145.8	2.4	-26.1	37.3	0	0	0	116.6	L479 L495 L498 L508 W510 A696 W697	L479-P528 HydrophobicContact CD1-CB 4.48Å; L479-P528 PolarHBondContact N-O 2.73Å; L495-P528 HydrophobicContact CD2-CG 4.17Å; L498-P528 HydrophobicContact CD1-CG 4.15Å; L508-P528 HydrophobicContact CD2-CG 3.59Å; W510-P528 HydrophobicContact CH2-CG 4.47Å; P528-A696 WeakPolarHBondContact CA-O 3.23Å; P528-W697 HydrophobicContact CB-CD2 4.49Å; P528-W697 HydrophobicContact CB-CE3 3.71Å; P528-W697 HydrophobicContact CB-CZ3 4.26Å; P528-W697 HydrophobicContact CG-CB 4.46Å; P528-W697 HydrophobicContact CG-CD2 4.05Å; P528-W697 HydrophobicContact CG-CE3 3.6Å; P528-W697 HydrophobicContact CG-CG 4.45Å; P528-W697 HydrophobicContact CG-CZ3 4.09Å
529	I	97	Very high	94.4	Very high	34 Å²	34	42.2 Å²	42.2	17%	0.174	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	149.7	168.1	53.9	159.7	0	0	0	111	Q476 I477 W531 L695 A696	Q476-I529 HydrophobicContact CB-CB 4.38Å; Q476-I529 HydrophobicContact CB-CD1 4.18Å; I477-I529 CarbonylContact O-C 3.6Å; I477-I529 VanDerWaalsContact O-CA 3.26Å; I477-I529 WeakPolarHBondContact O-CA 3.42Å; I529-W531 HydrophobicContact CD1-CE3 4.2Å; I529-W531 HydrophobicContact CD1-CZ3 3.91Å; I529-W531 HydrophobicContact CG1-CE3 4.39Å; I529-W531 HydrophobicContact CG1-CZ3 4.04Å; I529-L695 VanDerWaalsContact O-CA 3.29Å; I529-L695 WeakPolarHBondContact O-CA 3.27Å; I529-A696 WeakPolarHBondContact CG1-O 3.47Å; I529-A696 PolarHBondContact N-O 2.99Å; I529-A696 PolarHBondContact O-N 3.23Å
530	M	98	Very high	94.6	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	135.3	179	-173.2	-177.2	77.7	0	0	112.4	F425 F429 I453 M474 Q476 I477 L479 S694 L695	F425-M530 HydrophobicContact CB-SD 3.69Å; F425-M530 HydrophobicContact CG-SD 4.43Å; F429-M530 HydrophobicContact CD2-CE 3.58Å; F429-M530 HydrophobicContact CD2-SD 3.51Å; F429-M530 VanDerWaalsContact CD2-SD 3.51Å; F429-M530 HydrophobicContact CE2-CE 4.08Å; F429-M530 HydrophobicContact CE2-SD 3.55Å; F429-M530 VanDerWaalsContact CE2-SD 3.55Å; F429-M530 HydrophobicContact CG-CE 4.17Å; I453-M530 HydrophobicContact CD1-CE 4Å; M474-M530 HydrophobicContact CE-CE 3.99Å; Q476-M530 CarbonylContact C-O 3.56Å; Q476-M530 VanDerWaalsContact CA-O 3.29Å; Q476-M530 WeakPolarHBondContact CA-O 3.35Å; I477-M530 HydrophobicContact CD1-CE 3.82Å; I477-M530 HydrophobicContact CG1-CB 4.16Å; I477-M530 HydrophobicContact CG1-CE 4.2Å; I477-M530 PolarHBondContact N-O 3.42Å; I477-M530 PolarHBondContact O-N 3.43Å; L479-M530 HydrophobicContact CD1-CB 4.23Å; L479-M530 HydrophobicContact CD2-CB 4.07Å; L479-M530 HydrophobicContact CG-CB 4.25Å; M530-S694 WeakPolarHBondContact CA-O 3.07Å; M530-L695 HydrophobicContact CB-CD2 3.58Å; M530-L695 HydrophobicContact CG-CD2 3.71Å; M530-L695 HydrophobicContact SD-CD2 4.35Å
531	W	98.1	Very high	94.4	Very high	51 Å²	51	36.4 Å²	36.4	19%	0.193	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	163.3	172.1	68.6	99.2	0	0	0	112.9	Q476 I529 C693 S694 A696	Q476-W531 HydrophobicContact CB-CB 4.38Å; I529-W531 HydrophobicContact CD1-CE3 4.2Å; I529-W531 HydrophobicContact CD1-CZ3 3.91Å; I529-W531 HydrophobicContact CG1-CE3 4.39Å; I529-W531 HydrophobicContact CG1-CZ3 4.04Å; W531-C693 WeakPolarHBondContact O-CA 3.36Å; W531-S694 PolarHBondContact N-O 3.24Å; W531-S694 PolarHBondContact O-N 3.12Å; W531-A696 HydrophobicContact CH2-CB 3.59Å; W531-A696 HydrophobicContact CZ3-CB 3.71Å
532	V	98.3	Very high	94	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	130.2	-176.8	-168.3	0	0	0	0	111.1	L426 F456 Y469 P473 M474 V604 V692 C693	L426-V532 HydrophobicContact CD2-CG1 4.47Å; F456-V532 HydrophobicContact CE1-CB 4Å; F456-V532 HydrophobicContact CE1-CG1 4.21Å; F456-V532 HydrophobicContact CE1-CG2 4.2Å; F456-V532 HydrophobicContact CZ-CB 4.26Å; F456-V532 HydrophobicContact CZ-CG1 4.4Å; Y469-V532 HydrophobicContact CE1-CG1 4.21Å; P473-V532 WeakPolarHBondContact CA-O 3.19Å; M474-V532 HydrophobicContact CB-CB 3.93Å; M474-V532 HydrophobicContact CB-CG2 4.28Å; M474-V532 HydrophobicContact CE-CG2 4.06Å; M474-V532 PolarHBondContact N-O 3.01Å; M474-V532 HydrophobicContact SD-CG2 4.21Å; V532-V604 HydrophobicContact CG1-CG2 3.84Å; V532-V692 WeakPolarHBondContact CA-O 3.48Å; V532-C693 HydrophobicContact CG2-CB 4.4Å
533	R	97.9	Very high	93.5	Very high	46 Å²	46	38.6 Å²	38.6	17%	0.174	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	143.2	-176.6	-59.3	-59	-64.3	-168	-6.2	111.7	Y469 D577 T688 A691 V692	Y469-R533 WeakPolarHBondContact CE1-O 3.11Å; R533-D577 IonicContact CZ-OD1 3.6Å; R533-D577 IonicContact NE-OD1 2.75Å; R533-D577 PolarHBondContact NE-OD1 2.97Å; R533-D577 IonicContact NE-OD2 3.98Å; R533-D577 IonicContact NH2-OD1 2.78Å; R533-D577 PolarHBondContact NH2-OD1 2.91Å; R533-T688 HydrophobicContact CB-CG2 3.76Å; R533-A691 WeakPolarHBondContact O-CA 3.04Å; R533-V692 HydrophobicContact CB-CG1 4.37Å; R533-V692 PolarHBondContact N-O 2.85Å; R533-V692 PolarHBondContact O-N 3.22Å; R533-V692 VanDerWaalsContact O-N 3.08Å
534	P	97.1	Very high	93.2	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.195	C	C	.	.			trans	-81	-20.1	-179	30.4	-37.5	0	0	0	116.2	T468 Y469 F575 D577	T468-P534 WeakPolarHBondContact CA-O 3.23Å; T468-P534 WeakPolarHBondContact CB-O 3.24Å; Y469-P534 HydrophobicContact CD1-CB 4.14Å; Y469-P534 HydrophobicContact CD2-CB 3.94Å; Y469-P534 VanDerWaalsContact CE1-CA 3.41Å; Y469-P534 HydrophobicContact CE1-CB 3.95Å; Y469-P534 HydrophobicContact CE2-CB 3.69Å; Y469-P534 HydrophobicContact CG-CB 4.13Å; Y469-P534 WeakPolarHBondContact O-CB 3.45Å; P534-F575 HydrophobicContact CG-CD1 4.24Å; P534-F575 HydrophobicContact CG-CE1 3.51Å; P534-F575 HydrophobicContact CG-CZ 4.05Å; P534-D577 WeakPolarHBondContact CD-OD2 3.29Å; P534-D577 WeakPolarHBondContact CG-OD2 3.29Å
535	G	97.1	Very high	92.4	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	21%	0.206	C	C	.	.			trans	88.5	144.3	-171.6	0	0	0	0	0	113.3	Q537 D577	G535-Q537 PolarHBondContact O-N 2.99Å; G535-Q537 PolarHBondContact O-NE2 3.05Å; G535-Q537 VanDerWaalsContact O-NE2 3.09Å; G535-D577 WeakPolarHBondContact CA-OD2 3.48Å; G535-D577 PolarHBondContact N-OD2 3.43Å
536	E	96.6	Very high	91.5	Very high	42 Å²	42	39 Å²	39	20%	0.196	21%	0.207	C	C	.	.	S	Bend	trans	-64.5	125.9	179.6	178.1	175.7	109.5	0	0	111.5	L574 F575 D577 R578 K687 T688	E536-L574 HydrophobicContact CG-CD1 3.87Å; E536-F575 WeakPolarHBondContact CA-O 3.42Å; E536-F575 WeakPolarHBondContact CG-O 3.46Å; E536-D577 HydrophobicContact CB-CB 4.18Å; E536-R578 IonicContact OE1-NH2 3.69Å; E536-R578 IonicContact OE2-CZ 2.68Å; E536-R578 IonicContact OE2-NE 3.65Å; E536-R578 PolarHBondContact OE2-NE 3.12Å; E536-R578 IonicContact OE2-NH2 3.48Å; E536-R578 PolarHBondContact OE2-NH2 3.44Å; E536-K687 WeakPolarHBondContact OE1-CE 3.2Å; E536-K687 IonicContact OE1-NZ 2.7Å; E536-K687 PolarHBondContact OE1-NZ 2.94Å; E536-K687 WeakPolarHBondContact OE2-CE 3.5Å; E536-K687 IonicContact OE2-NZ 3.49Å; E536-T688 PolarHBondContact N-O 2.79Å
537	Q	95.8	Very high	89.7	Confident	24 Å²	24	42.4 Å²	42.4	11%	0.112	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	164.1	-169.9	64.3	-173.8	-83.2	0	0	112.8	Y469 R470 G535 I539 F575	Y469-Q537 PolarHBondContact O-NE2 2.93Å; R470-Q537 VanDerWaalsContact CG-OE1 3.27Å; G535-Q537 PolarHBondContact O-N 2.99Å; G535-Q537 PolarHBondContact O-NE2 3.05Å; G535-Q537 VanDerWaalsContact O-NE2 3.09Å; Q537-I539 HydrophobicContact CG-CD1 3.58Å; Q537-I539 HydrophobicContact CG-CG1 4.2Å; Q537-I539 VanDerWaalsContact OE1-CD1 3.26Å; Q537-F575 HydrophobicContact CG-CB 4.41Å; Q537-F575 PolarHBondContact N-O 3.07Å; Q537-F575 PolarHBondContact O-N 3.1Å
538	M	94.6	Very high	87.9	Confident	96 Å²	96	47.3 Å²	47.3	47%	0.473	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	111.9	171.6	-66.1	-59.1	-58.4	0	0	110.5	E572 L574	M538-E572 HydrophobicContact CB-CB 4.29Å; M538-E572 HydrophobicContact CE-CB 3.65Å; M538-L574 HydrophobicContact SD-CB 3.86Å; M538-L574 HydrophobicContact SD-CD1 3.86Å; M538-L574 HydrophobicContact SD-CG 4.47Å
539	I	92.8	Very high	85.8	Confident	1 Å²	1	56 Å²	56	1%	0.005	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	123.1	179.5	-59.4	-61.2	0	0	0	110.5	L443 R470 Q537 D543 M544 E572 V573 F575	L443-I539 HydrophobicContact CD1-CD1 4.22Å; L443-I539 HydrophobicContact CD1-CG1 4.26Å; L443-I539 HydrophobicContact CD2-CD1 4.09Å; L443-I539 HydrophobicContact CD2-CG1 4.47Å; L443-I539 HydrophobicContact CD2-CG2 4.06Å; R470-I539 HydrophobicContact CG-CD1 3.85Å; Q537-I539 HydrophobicContact CG-CD1 3.58Å; Q537-I539 HydrophobicContact CG-CG1 4.2Å; Q537-I539 VanDerWaalsContact OE1-CD1 3.26Å; I539-D543 HydrophobicContact CG2-CB 4.21Å; I539-M544 HydrophobicContact CB-SD 4.3Å; I539-M544 HydrophobicContact CG2-CG 3.99Å; I539-M544 HydrophobicContact CG2-SD 3.73Å; I539-E572 CarbonylContact O-C 3.4Å; I539-E572 WeakPolarHBondContact O-CA 2.9Å; I539-V573 PolarHBondContact N-O 3.07Å; I539-V573 PolarHBondContact O-N 3.18Å; I539-F575 HydrophobicContact CD1-CB 4.48Å; I539-F575 HydrophobicContact CG1-CB 3.65Å; I539-F575 HydrophobicContact CG1-CG 4.49Å
540	P	90.8	Very high	83.5	Confident	40 Å²	40	63.8 Å²	63.8	26%	0.26	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.4	136.9	173.2	-25.2	34.8	0	0	0	113	A542 D543 M544 R571	P540-A542 PolarHBondContact O-N 2.92Å; P540-D543 WeakPolarHBondContact CD-OD2 3.33Å; P540-D543 PolarHBondContact O-N 3.4Å; P540-M544 PolarHBondContact O-N 3.48Å; P540-R571 WeakPolarHBondContact CA-O 3.44Å
541	T	86.8	Confident	81.4	Confident	65 Å²	65	75 Å²	75	40%	0.399	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-4	177.8	-35.4	0	0	0	0	113.3	P570 R571 E572	T541-P570 PolarHBondContact OG1-O 3.37Å; T541-P570 VanDerWaalsContact OG1-O 3.11Å; T541-R571 PolarHBondContact N-O 2.69Å; T541-R571 PolarHBondContact OG1-O 3.33Å; T541-E572 PolarHBondContact OG1-N 3.45Å
542	A	85	Confident	79	Confident	74 Å²	74	84 Å²	84	61%	0.612	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-34.1	170.3	0	0	0	0	0	113	P540	P540-A542 PolarHBondContact O-N 2.92Å
543	D	83.5	Confident	76.9	Confident	69 Å²	69	93.8 Å²	93.8	37%	0.369	45%	0.446	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-28.1	-179.1	-55	-22.3	0	0	0	110.6	R470 I539 P540	R470-D543 IonicContact CZ-OD2 3.37Å; R470-D543 IonicContact NH1-OD1 3.86Å; R470-D543 IonicContact NH1-OD2 2.81Å; R470-D543 PolarHBondContact NH1-OD2 2.91Å; I539-D543 HydrophobicContact CG2-CB 4.21Å; P540-D543 WeakPolarHBondContact CD-OD2 3.33Å; P540-D543 PolarHBondContact O-N 3.4Å
544	M	82.1	Confident	74.8	Confident	41 Å²	41	96 Å²	96	20%	0.202	47%	0.468	C	S	.	.	S	Bend	trans	-57.8	129.8	174.1	-66.1	-68.3	-76.5	0	0	111.9	I539 P540 K546 V573	I539-M544 HydrophobicContact CB-SD 4.3Å; I539-M544 HydrophobicContact CG2-CG 3.99Å; I539-M544 HydrophobicContact CG2-SD 3.73Å; P540-M544 PolarHBondContact O-N 3.48Å; M544-K546 PolarHBondContact O-N 3.13Å; M544-V573 HydrophobicContact CE-CB 4.49Å; M544-V573 HydrophobicContact CE-CG1 4.48Å
545	P	74.8	Confident	72.6	Confident	48 Å²	48	104.8 Å²	104.8	31%	0.312	51%	0.511	S	S	.	.	P	Polyproline II helix	trans	-66.6	116.9	-175.6	25.9	-35	0	0	0	111.4	I442 L443 K445 S547	I442-P545 HydrophobicContact CG2-CG 4.23Å; L443-P545 WeakPolarHBondContact O-CD 3.47Å; L443-P545 VanDerWaalsContact O-CG 3.28Å; L443-P545 WeakPolarHBondContact O-CG 3.14Å; K445-P545 HydrophobicContact CD-CB 4.09Å; K445-P545 HydrophobicContact CD-CG 3.58Å; K445-P545 HydrophobicContact CG-CG 3.71Å; P545-S547 PolarHBondContact O-N 3.25Å
546	K	70.8	Confident	70.7	Confident	176 Å²	176	108.2 Å²	108.2	77%	0.765	53%	0.53	S	S	*	.	P	Polyproline II helix	trans	-60.7	125.1	-176.2	-69.7	155.7	-172	144.6	0	110.5	M544	M544-K546 PolarHBondContact O-N 3.13Å
547	S	56	Low	69.1	Low	79 Å²	79	111.6 Å²	111.6	55%	0.552	55%	0.546	S	S	*	.	P	Polyproline II helix	trans	-52.1	129.6	-180	-175.6	0	0	0	0	111.5	P545 F549	P545-S547 PolarHBondContact O-N 3.25Å; S547-F549 PolarHBondContact O-N 2.98Å
548	P	55.4	Low	67.3	Low	108 Å²	108	117 Å²	117	70%	0.701	57%	0.574	S	S	*	*	S	Bend	trans	-63.8	-24.5	-179	26.1	-34.6	0	0	0	112	K550	P548-K550 PolarHBondContact O-N 3.19Å
549	F	52.9	Low	65.4	Low	182 Å²	182	119 Å²	119	80%	0.798	58%	0.58	S	S	*	*			trans	-69.7	81	166.2	-71.5	-79.4	0	0	0	110.7	S547 R551	S547-F549 PolarHBondContact O-N 2.98Å; F549-R551 PolarHBondContact O-N 3.01Å
550	K	49.9	Very low	63.6	Low	197 Å²	197	125.5 Å²	125.5	86%	0.857	62%	0.615	S	S	*	*			trans	-55.1	89.7	155.3	-77.4	179.7	-179.4	168.9	0	108.2	P548 R552	P548-K550 PolarHBondContact O-N 3.19Å; K550-R552 VanDerWaalsContact C-N 3.34Å; K550-R552 PolarHBondContact O-N 2.85Å
551	R	53.1	Low	62	Low	237 Å²	237	130 Å²	130	89%	0.894	64%	0.636	S	S	*	*			trans	-55.8	99.7	172.6	-160.9	-172	-61.2	169.8	1.2	106.7	F549 R553	F549-R551 PolarHBondContact O-N 3.01Å; R551-R553 PolarHBondContact O-N 2.96Å
552	R	47.1	Very low	60.5	Low	240 Å²	240	133.7 Å²	133.7	91%	0.906	65%	0.649	S	S	*	*			trans	-52.1	111.6	-170	-178.2	-177.8	-177.8	-171.7	2.4	107.8	K550 S554	K550-R552 VanDerWaalsContact C-N 3.34Å; K550-R552 PolarHBondContact O-N 2.85Å; R552-S554 PolarHBondContact O-N 3.28Å
553	R	54.3	Low	58.9	Low	205 Å²	205	140.9 Å²	140.9	77%	0.774	66%	0.661	S	S	*	*			trans	-54.8	113.4	-175.6	-70	-172.1	-172.6	170.9	5.2	108.1	R551 E557	R551-R553 PolarHBondContact O-N 2.96Å; R553-E557 IonicContact NH1-OE1 3.23Å; R553-E557 PolarHBondContact NH1-OE1 3.48Å
554	S	53.8	Low	57.5	Low	92 Å²	92	144.6 Å²	144.6	64%	0.643	68%	0.68	S	S	*	*			trans	-57.8	141.5	169.5	-177.6	0	0	0	0	107.9	R552 N556	R552-S554 PolarHBondContact O-N 3.28Å; S554-N556 PolarHBondContact O-N 2.81Å
555	M	50.4	Low	55.9	Low	184 Å²	184	146.2 Å²	146.2	91%	0.906	69%	0.694	S	S	*	*	S	Bend	trans	-74.3	58.6	-172.1	-167	-155.8	-62.6	0	0	111.6
556	N	58	Low	54.9	Low	72 Å²	72	154.1 Å²	154.1	39%	0.385	72%	0.718	S	S	.	*			trans	-140.5	40.3	-174.4	-89.5	-63.5	0	0	0	110.6	S554 I558 K559 N560	S554-N556 PolarHBondContact O-N 2.81Å; N556-I558 PolarHBondContact O-N 3.09Å; N556-I558 VanDerWaalsContact O-N 3.09Å; N556-K559 HydrophobicContact CB-CB 4.37Å; N556-K559 HydrophobicContact CB-CG 4.33Å; N556-K559 PolarHBondContact O-N 2.81Å; N556-N560 PolarHBondContact O-N 3.38Å
557	E	62.3	Low	54.2	Low	114 Å²	114	151.5 Å²	151.5	53%	0.533	72%	0.716	S	S	.	*	T	Hydrogen-bonded Turn	trans	-55.4	-28	173.8	-58.2	-164.1	138.2	0	0	111.5	R553 K559 N560 L561	R553-E557 IonicContact NH1-OE1 3.23Å; R553-E557 PolarHBondContact NH1-OE1 3.48Å; E557-K559 PolarHBondContact O-N 2.9Å; E557-N560 CarbonylContact O-C 3.45Å; E557-N560 PolarHBondContact O-N 2.8Å; E557-L561 WeakPolarHBondContact O-CG 3.34Å; E557-L561 PolarHBondContact O-N 3.06Å; E557-L561 VanDerWaalsContact O-N 3.1Å
558	I	58.7	Low	54.5	Low	138 Å²	138	151.4 Å²	151.4	71%	0.708	72%	0.716	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.6	-37.3	173	-61.2	169.8	0	0	0	112.8	N556 L561	N556-I558 PolarHBondContact O-N 3.09Å; N556-I558 VanDerWaalsContact O-N 3.09Å; I558-L561 PolarHBondContact O-N 3.02Å
559	K	54.5	Low	55	Low	136 Å²	136	153.5 Å²	153.5	59%	0.591	72%	0.716	S	S	*	*	G	3₁₀ helix	trans	-73.2	-32.5	175.3	-64.6	-165.4	177.9	-169	0	111.6	N556 E557 L561 Q562	N556-K559 HydrophobicContact CB-CB 4.37Å; N556-K559 HydrophobicContact CB-CG 4.33Å; N556-K559 PolarHBondContact O-N 2.81Å; E557-K559 PolarHBondContact O-N 2.9Å; K559-L561 PolarHBondContact O-N 3.1Å; K559-Q562 PolarHBondContact O-N 3.04Å
560	N	54.3	Low	55.9	Low	139 Å²	139	149.8 Å²	149.8	74%	0.743	71%	0.711	S	S	*	*	G	3₁₀ helix	trans	-74.5	-8	173.3	-65.6	1.7	0	0	0	113.3	N556 E557	N556-N560 PolarHBondContact O-N 3.38Å; E557-N560 CarbonylContact O-C 3.45Å; E557-N560 PolarHBondContact O-N 2.8Å
561	L	57.5	Low	57.6	Low	133 Å²	133	148.8 Å²	148.8	70%	0.696	70%	0.701	S	S	*	*	G	3₁₀ helix	trans	-87.7	-10.5	170.3	-73.6	168.1	0	0	0	113	E557 I558 K559 Y563	E557-L561 WeakPolarHBondContact O-CG 3.34Å; E557-L561 PolarHBondContact O-N 3.06Å; E557-L561 VanDerWaalsContact O-N 3.1Å; I558-L561 PolarHBondContact O-N 3.02Å; K559-L561 PolarHBondContact O-N 3.1Å; L561-Y563 VanDerWaalsContact C-N 3.32Å; L561-Y563 PolarHBondContact O-N 3.48Å
562	Q	56.1	Low	59.4	Low	144 Å²	144	142.4 Å²	142.4	67%	0.673	68%	0.682	S	S	*	*	S	Bend	trans	-80	78.2	173.8	-69.3	-172.5	-66.6	0	0	111.6	K559 L564	K559-Q562 PolarHBondContact O-N 3.04Å; Q562-L564 VanDerWaalsContact C-N 3.34Å; Q562-L564 PolarHBondContact O-N 3.16Å
563	Y	52.1	Low	61.5	Low	225 Å²	225	133.9 Å²	133.9	88%	0.882	66%	0.656	S	S	*	*	S	Bend	trans	55.5	29.2	151.8	-74	-87.7	0	0	0	118.7	L561 P565	L561-Y563 VanDerWaalsContact C-N 3.32Å; L561-Y563 PolarHBondContact O-N 3.48Å; Y563-P565 WeakPolarHBondContact O-CD 3.43Å
564	L	53.1	Low	63.3	Low	146 Å²	146	127.5 Å²	127.5	76%	0.764	64%	0.637	S	S	*	*			trans	-80.4	116.3	150.7	-80.7	173.1	0	0	0	109	Q562	Q562-L564 VanDerWaalsContact C-N 3.34Å; Q562-L564 PolarHBondContact O-N 3.16Å
565	P	48.8	Very low	65.3	Low	75 Å²	75	124.8 Å²	124.8	49%	0.487	61%	0.614	S	S	.	*			trans	-65.4	142	179.6	-22.8	35.9	0	0	0	111.9	Y563 T567 S568	Y563-P565 WeakPolarHBondContact O-CD 3.43Å; P565-T567 VanDerWaalsContact CB-OG1 3.3Å; P565-T567 WeakPolarHBondContact CB-OG1 3.36Å; P565-T567 PolarHBondContact O-N 3.07Å; P565-S568 PolarHBondContact O-N 3.34Å; P565-S568 PolarHBondContact O-OG 3.18Å
566	R	53.5	Low	67.4	Low	215 Å²	215	121.1 Å²	121.1	81%	0.811	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.4	25.6	168.8	-62.4	-176.1	-177.6	168.8	-0.6	113.8	R571	R566-R571 PolarHBondContact O-NH2 3.43Å
567	T	55.8	Low	69.2	Low	120 Å²	120	117.7 Å²	117.7	74%	0.736	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-119.6	-0.1	178	63	0	0	0	0	111.9	P565	P565-T567 VanDerWaalsContact CB-OG1 3.3Å; P565-T567 WeakPolarHBondContact CB-OG1 3.36Å; P565-T567 PolarHBondContact O-N 3.07Å
568	S	61.8	Low	70.7	Confident	78 Å²	78	115.1 Å²	115.1	55%	0.545	56%	0.562	S	S	.	*	S	Bend	trans	-99.7	-11.2	176.9	64.6	0	0	0	0	114.6	P565	P565-S568 PolarHBondContact O-N 3.34Å; P565-S568 PolarHBondContact O-OG 3.18Å
569	E	65.9	Low	72.5	Confident	151 Å²	151	110.9 Å²	110.9	71%	0.706	54%	0.542	S	S	*	.	S	Bend	trans	-84.4	126.7	170.6	-68.9	-178.8	151	0	0	109.3	R571	E569-R571 PolarHBondContact O-N 3.49Å
570	P	73.4	Confident	74.5	Confident	105 Å²	105	109.6 Å²	109.6	68%	0.682	53%	0.533	S	S	*	.			trans	-57.5	129.5	173	-25.4	35	0	0	0	111.7	T541	T541-P570 PolarHBondContact OG1-O 3.37Å; T541-P570 VanDerWaalsContact OG1-O 3.11Å
571	R	85.2	Confident	76.6	Confident	175 Å²	175	103 Å²	103	66%	0.66	50%	0.498	S	S	*	.	S	Bend	trans	-92.7	-13.9	-179.2	-68.2	173.8	174.5	-94.5	-10.5	113.1	P540 T541 R566 E569	P540-R571 WeakPolarHBondContact CA-O 3.44Å; T541-R571 PolarHBondContact N-O 2.69Å; T541-R571 PolarHBondContact OG1-O 3.33Å; R566-R571 PolarHBondContact O-NH2 3.43Å; E569-R571 PolarHBondContact O-N 3.49Å
572	E	90.8	Very high	78.4	Confident	104 Å²	104	97.2 Å²	97.2	49%	0.486	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	154.6	-179	-69.9	149.8	-157.6	0	0	107.8	M538 I539 T541	M538-E572 HydrophobicContact CB-CB 4.29Å; M538-E572 HydrophobicContact CE-CB 3.65Å; I539-E572 CarbonylContact O-C 3.4Å; I539-E572 WeakPolarHBondContact O-CA 2.9Å; T541-E572 PolarHBondContact OG1-N 3.45Å
573	V	90.7	Very high	80.3	Confident	60 Å²	60	90.3 Å²	90.3	36%	0.364	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	135.7	177.2	-178.1	0	0	0	0	107.9	I539 M544 F575	I539-V573 PolarHBondContact N-O 3.07Å; I539-V573 PolarHBondContact O-N 3.18Å; M544-V573 HydrophobicContact CE-CB 4.49Å; M544-V573 HydrophobicContact CE-CG1 4.48Å; V573-F575 PolarHBondContact O-N 3.03Å
574	L	93.3	Very high	82.2	Confident	71 Å²	71	80.5 Å²	80.5	37%	0.372	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	121.2	173.7	-178.2	63.8	0	0	0	109.6	E536 M538 E576	E536-L574 HydrophobicContact CG-CD1 3.87Å; M538-L574 HydrophobicContact SD-CB 3.86Å; M538-L574 HydrophobicContact SD-CD1 3.86Å; M538-L574 HydrophobicContact SD-CG 4.47Å; L574-E576 HydrophobicContact CD2-CG 3.76Å; L574-E576 HydrophobicContact CG-CG 3.84Å
575	F	94.3	Very high	83.9	Confident	36 Å²	36	75 Å²	75	16%	0.158	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	105.5	165.2	178.9	-91.1	0	0	0	108.1	L443 P473 P534 E536 Q537 I539 V573 D577	L443-F575 HydrophobicContact CD1-CD2 3.78Å; L443-F575 HydrophobicContact CD1-CE2 3.97Å; L443-F575 HydrophobicContact CD1-CG 4.31Å; P473-F575 HydrophobicContact CG-CZ 4.36Å; P534-F575 HydrophobicContact CG-CD1 4.24Å; P534-F575 HydrophobicContact CG-CE1 3.51Å; P534-F575 HydrophobicContact CG-CZ 4.05Å; E536-F575 WeakPolarHBondContact CA-O 3.42Å; E536-F575 WeakPolarHBondContact CG-O 3.46Å; Q537-F575 HydrophobicContact CG-CB 4.41Å; Q537-F575 PolarHBondContact N-O 3.07Å; Q537-F575 PolarHBondContact O-N 3.1Å; I539-F575 HydrophobicContact CD1-CB 4.48Å; I539-F575 HydrophobicContact CG1-CB 3.65Å; I539-F575 HydrophobicContact CG1-CG 4.49Å; V573-F575 PolarHBondContact O-N 3.03Å; F575-D577 HydrophobicContact CD1-CB 4.24Å; F575-D577 HydrophobicContact CE1-CB 3.88Å; F575-D577 PolarHBondContact O-N 3.05Å
576	E	94.4	Very high	85.7	Confident	107 Å²	107	72.3 Å²	72.3	50%	0.5	35%	0.351	S	S	.	.			trans	-82.5	112.2	-180	-57.7	-166.6	130.8	0	0	110.3	L574 R578	L574-E576 HydrophobicContact CD2-CG 3.76Å; L574-E576 HydrophobicContact CG-CG 3.84Å; E576-R578 VanDerWaalsContact CD-CZ 3.41Å; E576-R578 VanDerWaalsContact CD-NH2 3.33Å; E576-R578 IonicContact OE1-CZ 2.73Å; E576-R578 IonicContact OE1-NH1 3.58Å; E576-R578 PolarHBondContact OE1-NH1 3.02Å; E576-R578 IonicContact OE1-NH2 2.94Å; E576-R578 PolarHBondContact OE1-NH2 3.31Å; E576-R578 IonicContact OE2-NH1 2.88Å; E576-R578 PolarHBondContact OE2-NH1 2.84Å
577	D	96.1	Very high	86.8	Confident	0 Å²	0	63.9 Å²	63.9	0%	0	33%	0.331	C	S	.	.			trans	-102.8	89.2	-178.9	-163.3	-26.3	0	0	0	110.5	R533 P534 G535 E536 F575 T688	R533-D577 IonicContact CZ-OD1 3.6Å; R533-D577 IonicContact NE-OD1 2.75Å; R533-D577 PolarHBondContact NE-OD1 2.97Å; R533-D577 IonicContact NE-OD2 3.98Å; R533-D577 IonicContact NH2-OD1 2.78Å; R533-D577 PolarHBondContact NH2-OD1 2.91Å; P534-D577 WeakPolarHBondContact CD-OD2 3.29Å; P534-D577 WeakPolarHBondContact CG-OD2 3.29Å; G535-D577 WeakPolarHBondContact CA-OD2 3.48Å; G535-D577 PolarHBondContact N-OD2 3.43Å; E536-D577 HydrophobicContact CB-CB 4.18Å; F575-D577 HydrophobicContact CD1-CB 4.24Å; F575-D577 HydrophobicContact CE1-CB 3.88Å; F575-D577 PolarHBondContact O-N 3.05Å; D577-T688 VanDerWaalsContact CG-OG1 3.31Å; D577-T688 PolarHBondContact O-N 3.42Å; D577-T688 WeakPolarHBondContact OD1-CB 3.1Å; D577-T688 PolarHBondContact OD1-OG1 3.04Å
578	R	95.4	Very high	87.3	Confident	60 Å²	60	66.2 Å²	66.2	23%	0.226	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	138.3	-163.5	-64.6	-178.2	-163.3	152.1	14.4	113.2	E536 E576 W649 F686 K687	E536-R578 IonicContact OE1-NH2 3.69Å; E536-R578 IonicContact OE2-CZ 2.68Å; E536-R578 IonicContact OE2-NE 3.65Å; E536-R578 PolarHBondContact OE2-NE 3.12Å; E536-R578 IonicContact OE2-NH2 3.48Å; E536-R578 PolarHBondContact OE2-NH2 3.44Å; E576-R578 VanDerWaalsContact CD-CZ 3.41Å; E576-R578 VanDerWaalsContact CD-NH2 3.33Å; E576-R578 IonicContact OE1-CZ 2.73Å; E576-R578 IonicContact OE1-NH1 3.58Å; E576-R578 PolarHBondContact OE1-NH1 3.02Å; E576-R578 IonicContact OE1-NH2 2.94Å; E576-R578 PolarHBondContact OE1-NH2 3.31Å; E576-R578 IonicContact OE2-NH1 2.88Å; E576-R578 PolarHBondContact OE2-NH1 2.84Å; R578-W649 HydrophobicContact CB-CE3 4.03Å; R578-W649 HydrophobicContact CB-CH2 3.99Å; R578-W649 HydrophobicContact CB-CZ3 3.53Å; R578-W649 HydrophobicContact CG-CE3 4.25Å; R578-W649 HydrophobicContact CG-CH2 3.75Å; R578-W649 HydrophobicContact CG-CZ2 4.22Å; R578-W649 HydrophobicContact CG-CZ3 3.78Å; R578-F686 WeakPolarHBondContact CA-O 2.96Å; R578-K687 HydrophobicContact CG-CG 4.37Å
579	T	95.6	Very high	87.6	Confident	49 Å²	49	64.8 Å²	64.8	30%	0.301	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	124.9	161.1	-49.9	0	0	0	0	107.5	H582 Q685 F686	T579-H582 VanDerWaalsContact CG2-CE1 3.46Å; T579-H582 WeakPolarHBondContact CG2-CE1 3.36Å; T579-Q685 VanDerWaalsContact O-CG 3.24Å; T579-Q685 WeakPolarHBondContact O-CG 3.15Å; T579-F686 PolarHBondContact N-O 3.4Å; T579-F686 PolarHBondContact O-N 2.9Å; T579-F686 VanDerWaalsContact O-O 3.09Å
580	R	96.6	Very high	87.3	Confident	108 Å²	108	67.3 Å²	67.3	41%	0.408	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	175.6	-176.9	-68.3	-180	-173.5	94.8	7.7	112.1	H582 C646 V647 Q648 W649	R580-H582 PolarHBondContact O-N 2.81Å; R580-H582 PolarHBondContact O-ND1 3.42Å; R580-C646 HydrophobicContact CB-CB 4.2Å; R580-C646 WeakPolarHBondContact CD-O 3.44Å; R580-V647 PolarHBondContact NE-O 3.44Å; R580-Q648 WeakPolarHBondContact CD-O 3.38Å; R580-W649 HydrophobicContact CG-CE3 4.44Å
581	A	97.5	Very high	87.1	Confident	0 Å²	0	67.8 Å²	67.8	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.2	127.8	172.5	0	0	0	0	0	111.5	L634 L636 C646 V650 I683 H684 Q685	A581-L634 HydrophobicContact CB-CD1 3.63Å; A581-L636 HydrophobicContact CB-CD2 4.49Å; A581-C646 HydrophobicContact CB-CB 4.29Å; A581-C646 WeakPolarHBondContact O-CB 3.27Å; A581-V650 HydrophobicContact CB-CG2 4.22Å; A581-I683 HydrophobicContact CB-CG2 4.13Å; A581-H684 CarbonylContact C-O 3.53Å; A581-H684 VanDerWaalsContact CA-O 3.28Å; A581-H684 WeakPolarHBondContact CA-O 3.49Å; A581-Q685 HydrophobicContact CB-CB 4.42Å
582	H	96.9	Very high	86.7	Confident	12 Å²	12	63.4 Å²	63.4	6%	0.056	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	167.3	175.6	56.2	-71.5	0	0	0	109.9	T579 R580 D584 P642 Q645 I683 H684	T579-H582 VanDerWaalsContact CG2-CE1 3.46Å; T579-H582 WeakPolarHBondContact CG2-CE1 3.36Å; R580-H582 PolarHBondContact O-N 2.81Å; R580-H582 PolarHBondContact O-ND1 3.42Å; H582-D584 IonicContact CD2-OD1 3.58Å; H582-D584 PolarHBondContact CD2-OD1 2.84Å; H582-D584 IonicContact NE2-OD1 3.5Å; H582-P642 HydrophobicContact CB-CB 4.07Å; H582-Q645 HydrophobicContact CB-CB 4.43Å; H582-Q645 VanDerWaalsContact CB-OE1 3.28Å; H582-I683 CarbonylContact O-C 3.56Å; H582-I683 VanDerWaalsContact O-CA 3.26Å; H582-I683 WeakPolarHBondContact O-CA 3.48Å; H582-H684 AromaticContact CD2-CE1 3.96Å; H582-H684 AromaticContact CD2-NE2 3.85Å; H582-H684 AromaticContact CE1-CD2 3.89Å; H582-H684 AromaticContact CE1-NE2 3.62Å; H582-H684 PolarHBondContact N-O 3Å; H582-H684 PolarHBondContact ND1-O 2.82Å; H582-H684 AromaticContact NE2-CD2 3.99Å; H582-H684 AromaticContact NE2-CE1 3.83Å; H582-H684 AromaticContact NE2-NE2 3.25Å; H582-H684 PolarHBondContact NE2-NE2 2.87Å; H582-H684 PolarHBondContact O-N 3.02Å
583	A	94.4	Very high	86.4	Confident	0 Å²	0	63.2 Å²	63.2	0%	0	32%	0.319	C	S	.	.			trans	-127.5	142.2	162.4	0	0	0	0	0	109.9	H585 F627 Q645 I683	A583-H585 PolarHBondContact O-CE1 3.43Å; A583-H585 PolarHBondContact O-ND1 2.74Å; A583-F627 HydrophobicContact CB-CE2 3.84Å; A583-Q645 PolarHBondContact O-NE2 3.36Å; A583-Q645 VanDerWaalsContact O-NE2 3.14Å; A583-Q645 PolarHBondContact O-OE1 2.78Å; A583-I683 HydrophobicContact CB-CG1 3.77Å
584	D	93.4	Very high	86.4	Confident	19 Å²	19	61.2 Å²	61.2	10%	0.102	31%	0.308	C	S	.	.			trans	-81	140.4	-177.3	-62.8	-33.6	0	0	0	111.1	H582 S594 T595 A597 H684	H582-D584 IonicContact CD2-OD1 3.58Å; H582-D584 PolarHBondContact CD2-OD1 2.84Å; H582-D584 IonicContact NE2-OD1 3.5Å; D584-S594 VanDerWaalsContact O-CA 3.23Å; D584-S594 WeakPolarHBondContact O-CA 3.2Å; D584-S594 PolarHBondContact O-OG 3.09Å; D584-T595 HydrophobicContact CB-CG2 3.81Å; D584-T595 PolarHBondContact O-N 3.34Å; D584-A597 VanDerWaalsContact OD2-CB 3.26Å; D584-A597 WeakPolarHBondContact OD2-CB 3.21Å; D584-H684 IonicContact OD2-CE1 2.69Å; D584-H684 PolarHBondContact OD2-CE1 2.9Å; D584-H684 VanDerWaalsContact OD2-CE1 3.31Å; D584-H684 IonicContact OD2-NE2 3.23Å
585	H	89.1	Confident	86.4	Confident	29 Å²	29	58 Å²	58	13%	0.134	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	153.3	-174.8	-67.3	76.6	0	0	0	110.8	A583 W592 Q593 S594	A583-H585 PolarHBondContact O-CE1 3.43Å; A583-H585 PolarHBondContact O-ND1 2.74Å; H585-W592 HydrophobicContact CB-CD2 4.24Å; H585-W592 HydrophobicContact CB-CE3 3.48Å; H585-W592 VanDerWaalsContact CB-CE3 3.48Å; H585-W592 HydrophobicContact CB-CZ3 3.98Å; H585-W592 AromaticContact CG-CE3 3.75Å; H585-Q593 CarbonylContact C-O 3.58Å; H585-Q593 VanDerWaalsContact CA-O 3.27Å; H585-Q593 WeakPolarHBondContact CA-O 3.27Å; H585-S594 PolarHBondContact CD2-N 2.92Å
586	V	85.2	Confident	86.5	Confident	19 Å²	19	56.3 Å²	56.3	12%	0.115	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	157.7	168.3	-66.5	0	0	0	0	109.7	Q593 T595 H698 R700	V586-Q593 PolarHBondContact N-O 2.7Å; V586-Q593 PolarHBondContact O-N 3.36Å; V586-T595 HydrophobicContact CG1-CG2 4.09Å; V586-H698 HydrophobicContact CG1-CB 4.23Å; V586-R700 HydrophobicContact CG1-CG 4.45Å; V586-R700 HydrophobicContact CG2-CG 4.11Å
587	G	76.6	Confident	86.7	Confident	38 Å²	38	51.5 Å²	51.5	39%	0.392	26%	0.263	S	S	.	.	S	Bend	trans	116.5	-177.8	-178	0	0	0	0	0	112.6
588	Q	67.1	Low	86.8	Confident	169 Å²	169	51.6 Å²	51.6	79%	0.79	26%	0.263	S	S	*	.	S	Bend	trans	-132.2	141.3	179.7	-67.9	-174.2	-6.7	0	0	110.3	F590 D591	Q588-F590 PolarHBondContact O-N 3.49Å; Q588-D591 PolarHBondContact O-N 2.87Å
589	G	68.4	Low	87	Confident	48 Å²	48	48.7 Å²	48.7	50%	0.495	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.7	-106.3	176.6	0	0	0	0	0	113.9
590	F	59.9	Low	87.1	Confident	205 Å²	205	46.4 Å²	46.4	90%	0.899	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-15.5	-177.4	-62.6	-77.3	0	0	0	113.8	Q588 W592	Q588-F590 PolarHBondContact O-N 3.49Å; F590-W592 PolarHBondContact O-N 2.78Å
591	D	68.4	Low	87.2	Confident	115 Å²	115	41.2 Å²	41.2	62%	0.615	22%	0.218	S	C	*	.			trans	-89.4	25.7	-178.5	-62.2	-48.9	0	0	0	113	Q588 Q593	Q588-D591 PolarHBondContact O-N 2.87Å; D591-Q593 PolarHBondContact O-N 3.41Å
592	W	77.6	Confident	87.2	Confident	82 Å²	82	41.9 Å²	41.9	31%	0.311	22%	0.221	S	C	.	.			trans	-68.4	116.1	177.4	-85.8	51.4	0	0	0	110.8	H585 F590 L638	H585-W592 HydrophobicContact CB-CD2 4.24Å; H585-W592 HydrophobicContact CB-CE3 3.48Å; H585-W592 VanDerWaalsContact CB-CE3 3.48Å; H585-W592 HydrophobicContact CB-CZ3 3.98Å; H585-W592 AromaticContact CG-CE3 3.75Å; F590-W592 PolarHBondContact O-N 2.78Å; W592-L638 WeakPolarHBondContact CZ3-O 3.42Å
593	Q	83.7	Confident	87.1	Confident	101 Å²	101	41.4 Å²	41.4	47%	0.472	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	130.5	179.8	-64.9	176.9	16.4	0	0	109.1	H585 V586 D591 T595 H705	H585-Q593 CarbonylContact C-O 3.58Å; H585-Q593 VanDerWaalsContact CA-O 3.27Å; H585-Q593 WeakPolarHBondContact CA-O 3.27Å; V586-Q593 PolarHBondContact N-O 2.7Å; V586-Q593 PolarHBondContact O-N 3.36Å; D591-Q593 PolarHBondContact O-N 3.41Å; Q593-T595 PolarHBondContact O-N 2.83Å; Q593-H705 PolarHBondContact OE1-CE1 3.12Å
594	S	89.8	Confident	87.1	Confident	17 Å²	17	41.4 Å²	41.4	12%	0.119	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	134.3	177.4	-173.5	0	0	0	0	110.4	D584 H585 R680 N681	D584-S594 VanDerWaalsContact O-CA 3.23Å; D584-S594 WeakPolarHBondContact O-CA 3.2Å; D584-S594 PolarHBondContact O-OG 3.09Å; H585-S594 PolarHBondContact CD2-N 2.92Å; S594-R680 WeakPolarHBondContact O-CB 3.45Å; S594-N681 WeakPolarHBondContact CB-OD1 3.33Å; S594-N681 PolarHBondContact OG-N 3.33Å
595	T	94.1	Very high	86.8	Confident	5 Å²	5	42.1 Å²	42.1	3%	0.031	22%	0.222	C	C	.	.			trans	-111.6	163.5	-174.7	-163.6	0	0	0	0	110.5	D584 V586 Q593 R680 H698 I699	D584-T595 HydrophobicContact CB-CG2 3.81Å; D584-T595 PolarHBondContact O-N 3.34Å; V586-T595 HydrophobicContact CG1-CG2 4.09Å; Q593-T595 PolarHBondContact O-N 2.83Å; T595-R680 WeakPolarHBondContact O-CA 3.46Å; T595-H698 HydrophobicContact CG2-CB 3.73Å; T595-I699 PolarHBondContact OG1-O 2.8Å
596	A	97.1	Very high	86.7	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	150.6	164.8	0	0	0	0	0	109.7	F400 I678 H698 I699 L701 Y704	F400-A596 HydrophobicContact CD1-CB 4.18Å; F400-A596 HydrophobicContact CE1-CB 3.74Å; F400-A596 HydrophobicContact CZ-CB 4.47Å; A596-I678 CarbonylContact C-O 3.51Å; A596-I678 WeakPolarHBondContact CA-O 3.45Å; A596-I678 WeakPolarHBondContact CB-O 3.25Å; A596-H698 CarbonylContact O-C 3.02Å; A596-H698 WeakPolarHBondContact O-CA 3.35Å; A596-I699 HydrophobicContact CB-CG2 3.9Å; A596-I699 PolarHBondContact O-N 2.79Å; A596-L701 HydrophobicContact CB-CD1 3.87Å; A596-Y704 HydrophobicContact CB-CE2 3.93Å
597	A	97.9	Very high	86.2	Confident	6 Å²	6	44.5 Å²	44.5	5%	0.05	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	149.9	177	0	0	0	0	0	111.5	D584 I678 W697	D584-A597 VanDerWaalsContact OD2-CB 3.26Å; D584-A597 WeakPolarHBondContact OD2-CB 3.21Å; A597-I678 HydrophobicContact CB-CB 4.37Å; A597-I678 PolarHBondContact N-O 2.55Å; A597-I678 PolarHBondContact O-N 2.9Å; A597-W697 WeakPolarHBondContact CA-O 3.36Å
598	V	98.7	Very high	86.1	Confident	1 Å²	1	45.5 Å²	45.5	1%	0.006	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	142.7	176.9	-170.8	0	0	0	0	108.2	L504 Y676 F677 A696 W697 I699	L504-V598 HydrophobicContact CD2-CG1 4.19Å; V598-Y676 WeakPolarHBondContact CA-O 3.26Å; V598-F677 HydrophobicContact CB-CD1 4.38Å; V598-F677 HydrophobicContact CG1-CD1 3.79Å; V598-F677 HydrophobicContact CG1-CE1 3.61Å; V598-F677 HydrophobicContact CG1-CZ 4.47Å; V598-F677 HydrophobicContact CG2-CD1 3.96Å; V598-F677 HydrophobicContact CG2-CE1 4.33Å; V598-A696 WeakPolarHBondContact O-CA 3.32Å; V598-A696 WeakPolarHBondContact O-CB 3.1Å; V598-W697 HydrophobicContact CB-CD2 4.22Å; V598-W697 HydrophobicContact CB-CG 4.49Å; V598-W697 HydrophobicContact CB-CZ2 4.06Å; V598-W697 HydrophobicContact CG1-CH2 4.37Å; V598-W697 HydrophobicContact CG1-CZ2 3.74Å; V598-W697 PolarHBondContact N-O 2.75Å; V598-W697 PolarHBondContact O-N 3.43Å; V598-W697 VanDerWaalsContact O-N 3.07Å; V598-I699 HydrophobicContact CG2-CG2 3.97Å
599	G	98.6	Very high	86.2	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	153.6	174.2	0	0	0	0	0	114	I675 Y676 L695	G599-I675 WeakPolarHBondContact O-CA 3.29Å; G599-Y676 PolarHBondContact N-O 3.22Å; G599-Y676 WeakPolarHBondContact O-CD1 3.46Å; G599-Y676 PolarHBondContact O-N 3.18Å; G599-L695 WeakPolarHBondContact CA-O 3.23Å
600	V	98.8	Very high	86.4	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	132.8	-178.1	-172.8	0	0	0	0	109.2	A419 L422 F425 L504 I675 S694 L695 W697	A419-V600 HydrophobicContact CB-CG1 3.43Å; A419-V600 VanDerWaalsContact CB-CG1 3.43Å; L422-V600 HydrophobicContact CD1-CG1 4.17Å; F425-V600 HydrophobicContact CZ-CG1 4.04Å; L504-V600 HydrophobicContact CD1-CG2 4.04Å; L504-V600 HydrophobicContact CD2-CG2 3.99Å; V600-I675 HydrophobicContact CG1-CG1 4.34Å; V600-I675 HydrophobicContact CG2-CG1 4.4Å; V600-I675 HydrophobicContact CG2-CG2 4.5Å; V600-S694 WeakPolarHBondContact O-CA 3.46Å; V600-L695 HydrophobicContact CB-CB 4.14Å; V600-L695 HydrophobicContact CB-CD1 4.31Å; V600-L695 PolarHBondContact N-O 2.97Å; V600-L695 PolarHBondContact O-N 3.42Å; V600-W697 HydrophobicContact CG2-CH2 3.98Å; V600-W697 HydrophobicContact CG2-CZ3 4.16Å
601	L	98.6	Very high	86.8	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	129.4	-175	-57	-178.1	0	0	0	112	T616 K617 L670 N673 D674 Y676 V692	L601-T616 WeakPolarHBondContact CD1-OG1 3.41Å; L601-K617 HydrophobicContact CD1-CD 4.27Å; L601-K617 HydrophobicContact CD1-CG 4.42Å; L601-K617 HydrophobicContact CD2-CD 4.1Å; L601-K617 VanDerWaalsContact CD2-CE 3.43Å; L601-L670 HydrophobicContact CD1-CB 3.52Å; L601-L670 HydrophobicContact CD1-CD1 3.97Å; L601-L670 HydrophobicContact CD1-CG 4.39Å; L601-N673 VanDerWaalsContact O-CA 3.3Å; L601-N673 WeakPolarHBondContact O-CA 3.47Å; L601-N673 PolarHBondContact O-N 3.03Å; L601-D674 PolarHBondContact N-O 3.24Å; L601-Y676 HydrophobicContact CD1-CD1 4.24Å; L601-Y676 HydrophobicContact CD1-CE1 4.1Å; L601-Y676 HydrophobicContact CD2-CE1 3.82Å; L601-Y676 HydrophobicContact CG-CD1 4.17Å; L601-Y676 HydrophobicContact CG-CE1 3.84Å; L601-V692 HydrophobicContact CB-CG2 4.23Å; L601-V692 HydrophobicContact CD2-CG2 4.16Å
602	K	97.3	Very high	87.3	Confident	13 Å²	13	47.6 Å²	47.6	6%	0.057	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	116.7	165.8	-58.9	-68.3	-81.6	-169.4	0	108.3	A419 L422 P423 F425 D672 N673 V692 C693	A419-K602 HydrophobicContact CB-CD 4.42Å; A419-K602 PolarHBondContact O-NZ 2.82Å; L422-K602 VanDerWaalsContact O-CE 3.24Å; L422-K602 WeakPolarHBondContact O-CE 3.13Å; L422-K602 PolarHBondContact O-NZ 2.93Å; P423-K602 VanDerWaalsContact O-CE 3.23Å; P423-K602 WeakPolarHBondContact O-CE 3.46Å; F425-K602 HydrophobicContact CD1-CG 4.08Å; F425-K602 HydrophobicContact CD2-CB 4.06Å; F425-K602 HydrophobicContact CD2-CG 3.86Å; F425-K602 HydrophobicContact CE1-CG 3.68Å; F425-K602 HydrophobicContact CE2-CB 4Å; F425-K602 HydrophobicContact CE2-CG 3.4Å; F425-K602 HydrophobicContact CG-CB 4.45Å; F425-K602 HydrophobicContact CG-CG 4.18Å; F425-K602 HydrophobicContact CZ-CB 4.38Å; F425-K602 HydrophobicContact CZ-CD 4.29Å; F425-K602 HydrophobicContact CZ-CG 3.32Å; K602-D672 WeakPolarHBondContact CA-OD1 3.22Å; K602-N673 PolarHBondContact NZ-OD1 3Å; K602-V692 WeakPolarHBondContact O-CG2 3.16Å; K602-C693 PolarHBondContact N-O 2.71Å; K602-C693 PolarHBondContact O-N 3.39Å
603	A	95.8	Very high	87.6	Confident	2 Å²	2	47 Å²	47	2%	0.017	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	138.6	172.7	0	0	0	0	0	109.3	Q605 R614 T616 D672	A603-Q605 WeakPolarHBondContact O-CG 3.23Å; A603-Q605 PolarHBondContact O-N 3.45Å; A603-R614 HydrophobicContact CB-CB 4.36Å; A603-T616 HydrophobicContact CB-CG2 3.77Å; A603-D672 HydrophobicContact CB-CB 3.75Å; A603-D672 PolarHBondContact N-OD1 3.27Å
604	V	94.4	Very high	88	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.237	C	C	.	.			trans	-69.1	128.4	173.2	174.9	0	0	0	0	108.2	L426 V460 Y464 V532 F606 A691	L426-V604 HydrophobicContact CD2-CG1 4.32Å; V460-V604 HydrophobicContact CG1-CG1 3.9Å; Y464-V604 HydrophobicContact CD2-CG1 4.01Å; Y464-V604 HydrophobicContact CE2-CB 4.22Å; Y464-V604 HydrophobicContact CE2-CG1 3.92Å; Y464-V604 WeakPolarHBondContact CE2-O 3.3Å; Y464-V604 VanDerWaalsContact CZ-O 3.26Å; Y464-V604 PolarHBondContact OH-O 3.37Å; V532-V604 HydrophobicContact CG1-CG2 3.84Å; V604-F606 HydrophobicContact CG1-CD2 3.77Å; V604-F606 HydrophobicContact CG1-CE2 3.53Å; V604-A691 HydrophobicContact CB-CB 3.96Å; V604-A691 HydrophobicContact CG2-CB 4.22Å; V604-A691 PolarHBondContact N-O 3.39Å
605	Q	87.1	Confident	88.3	Confident	35 Å²	35	46.8 Å²	46.8	16%	0.164	25%	0.246	C	C	.	.			trans	-128.6	121.2	179.8	-52.4	-166.6	27.4	0	0	112.3	D424 A603 D672	D424-Q605 PolarHBondContact OD2-N 2.99Å; A603-Q605 WeakPolarHBondContact O-CG 3.23Å; A603-Q605 PolarHBondContact O-N 3.45Å; Q605-D672 PolarHBondContact NE2-OD2 3.39Å
606	F	87.1	Confident	88.5	Confident	32 Å²	32	46.5 Å²	46.5	14%	0.14	25%	0.245	C	C	.	.	S	Bend	trans	-120.5	83.1	173.3	-77.6	-73.5	0	0	0	111	L426 H457 V460 N461 Y464 V604 E608	L426-F606 HydrophobicContact CD2-CE2 4.26Å; L426-F606 HydrophobicContact CD2-CZ 4.35Å; H457-F606 AromaticContact CD2-CZ 3.89Å; H457-F606 AromaticContact CE1-CE1 3.59Å; H457-F606 AromaticContact CE1-CZ 3.94Å; H457-F606 AromaticContact NE2-CE1 3.55Å; H457-F606 AromaticContact NE2-CZ 3.66Å; V460-F606 HydrophobicContact CB-CE2 4.23Å; V460-F606 HydrophobicContact CG1-CD2 4.15Å; V460-F606 HydrophobicContact CG1-CE2 3.54Å; V460-F606 HydrophobicContact CG1-CZ 4.46Å; N461-F606 HydrophobicContact CB-CD1 3.65Å; N461-F606 HydrophobicContact CB-CD2 4.36Å; N461-F606 HydrophobicContact CB-CE1 3.54Å; N461-F606 HydrophobicContact CB-CE2 4.25Å; N461-F606 HydrophobicContact CB-CG 4.08Å; N461-F606 HydrophobicContact CB-CZ 3.86Å; Y464-F606 HydrophobicContact CD1-CB 3.76Å; Y464-F606 HydrophobicContact CD2-CD2 4.01Å; Y464-F606 HydrophobicContact CE1-CB 4.24Å; Y464-F606 HydrophobicContact CG-CB 4Å; Y464-F606 AromaticContact CG-CD2 3.95Å; Y464-F606 HydrophobicContact CG-CD2 3.95Å; Y464-F606 HydrophobicContact CG-CG 4.44Å; V604-F606 HydrophobicContact CG1-CD2 3.77Å; V604-F606 HydrophobicContact CG1-CE2 3.53Å; F606-E608 PolarHBondContact O-N 2.84Å
607	G	74	Confident	88.5	Confident	66 Å²	66	46.8 Å²	46.8	68%	0.68	25%	0.246	S	C	*	.	S	Bend	trans	73.5	-11.8	179	0	0	0	0	0	115.7	W609	G607-W609 PolarHBondContact O-N 3.43Å
608	E	74.4	Confident	88.5	Confident	59 Å²	59	47.5 Å²	47.5	28%	0.276	25%	0.249	S	C	.	.			trans	-90.3	65.6	176.4	-63.7	-175.7	174.8	0	0	112.2	Y464 C466 G467 F606 R614	Y464-E608 HydrophobicContact CE1-CB 4.14Å; Y464-E608 HydrophobicContact CE1-CG 4.04Å; Y464-E608 WeakPolarHBondContact CE1-OE2 3.44Å; C466-E608 WeakPolarHBondContact CA-OE2 3.46Å; C466-E608 PolarHBondContact N-OE1 3.07Å; C466-E608 PolarHBondContact N-OE2 2.92Å; G467-E608 PolarHBondContact N-OE2 3.43Å; F606-E608 PolarHBondContact O-N 2.84Å; E608-R614 IonicContact OE2-NH2 3.54Å
609	W	69.9	Low	88.5	Confident	215 Å²	215	47.5 Å²	47.5	81%	0.814	25%	0.249	S	C	*	.			trans	-67	145.7	173.9	-61.9	85.1	0	0	0	111.2	G607	G607-W609 PolarHBondContact O-N 3.43Å
610	S	71.1	Confident	88.5	Confident	64 Å²	64	48 Å²	48	45%	0.448	25%	0.252	S	S	.	.			trans	-143.5	129	-178.1	169.1	0	0	0	0	110.1	Q612	S610-Q612 PolarHBondContact O-N 3.14Å; S610-Q612 PolarHBondContact OG-N 2.94Å; S610-Q612 VanDerWaalsContact OG-N 3.17Å; S610-Q612 PolarHBondContact OG-O 3.35Å
611	D	69.3	Low	88.5	Confident	181 Å²	181	48 Å²	48	97%	0.968	25%	0.252	S	S	*	.	S	Bend	trans	-69.2	-16.9	173.6	-52.5	-44.6	0	0	0	112.4
612	Q	78.4	Confident	88.5	Confident	120 Å²	120	48.1 Å²	48.1	56%	0.561	25%	0.252	S	S	*	.	S	Bend	trans	-93.9	133.4	174.7	-60.9	-166.5	-46.1	0	0	110.7	M338 S610 R614	M338-Q612 HydrophobicContact SD-CB 4.11Å; M338-Q612 HydrophobicContact SD-CG 3.76Å; M338-Q612 PolarHBondContact SD-NE2 3.28Å; M338-Q612 VanDerWaalsContact SD-NE2 3.43Å; S610-Q612 PolarHBondContact O-N 3.14Å; S610-Q612 PolarHBondContact OG-N 2.94Å; S610-Q612 VanDerWaalsContact OG-N 3.17Å; S610-Q612 PolarHBondContact OG-O 3.35Å; Q612-R614 PolarHBondContact O-N 3.41Å
613	P	84.8	Confident	88.6	Confident	69 Å²	69	48 Å²	48	45%	0.448	25%	0.252	S	S	.	.	P	Polyproline II helix	trans	-65.2	128.4	178.7	27.7	-34.5	0	0	0	110.6	C671	P613-C671 HydrophobicContact CB-CB 4.19Å
614	R	91.6	Very high	88.7	Confident	51 Å²	51	48.2 Å²	48.2	19%	0.192	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-80.2	123.3	-176.2	-176.5	-178.9	-66	-88.4	11.1	110.2	C466 G467 A603 E608 Q612 T616 C671 D672 S690	C466-R614 PolarHBondContact O-NH1 3.35Å; C466-R614 VanDerWaalsContact O-NH1 3.09Å; G467-R614 VanDerWaalsContact CA-NH1 3.31Å; A603-R614 HydrophobicContact CB-CB 4.36Å; E608-R614 IonicContact OE2-NH2 3.54Å; Q612-R614 PolarHBondContact O-N 3.41Å; R614-T616 PolarHBondContact O-N 3.1Å; R614-C671 CarbonylContact O-C 3.59Å; R614-C671 WeakPolarHBondContact O-CA 3.49Å; R614-D672 HydrophobicContact CB-CB 4.33Å; R614-D672 PolarHBondContact O-N 2.92Å; R614-S690 WeakPolarHBondContact CD-OG 3.38Å
615	I	95.8	Very high	88.8	Confident	63 Å²	63	50.7 Å²	50.7	32%	0.323	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	124.6	170.6	-56.4	158.5	0	0	0	108.5	Q669 V689 S690	I615-Q669 HydrophobicContact CG2-CB 3.85Å; I615-Q669 HydrophobicContact CG2-CG 4.14Å; I615-V689 HydrophobicContact CB-CG2 4.46Å; I615-V689 HydrophobicContact CG2-CG2 3.79Å; I615-S690 VanDerWaalsContact O-CB 3.28Å; I615-S690 WeakPolarHBondContact O-CB 3.34Å
616	T	97.3	Very high	89.3	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	-36.4	-177.2	57.3	0	0	0	0	112.7	L601 A603 R614 L670 V689 S690 V692	L601-T616 WeakPolarHBondContact CD1-OG1 3.41Å; A603-T616 HydrophobicContact CB-CG2 3.77Å; R614-T616 PolarHBondContact O-N 3.1Å; T616-L670 PolarHBondContact N-O 2.98Å; T616-L670 PolarHBondContact OG1-O 3.14Å; T616-V689 WeakPolarHBondContact O-CG2 3.46Å; T616-V689 PolarHBondContact O-N 3.25Å; T616-S690 PolarHBondContact O-N 3.29Å; T616-V692 HydrophobicContact CG2-CB 3.91Å; T616-V692 HydrophobicContact CG2-CG2 3.74Å
617	K	98.4	Very high	89.8	Confident	5 Å²	5	49.6 Å²	49.6	2%	0.022	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	143.9	179.9	-56.7	-174.7	-175.1	174.2	0	112.7	L601 V619 Q669 L670 F686 K687 S694	L601-K617 HydrophobicContact CD1-CD 4.27Å; L601-K617 HydrophobicContact CD1-CG 4.42Å; L601-K617 HydrophobicContact CD2-CD 4.1Å; L601-K617 VanDerWaalsContact CD2-CE 3.43Å; K617-V619 HydrophobicContact CB-CG2 3.9Å; K617-Q669 WeakPolarHBondContact O-CA 3.37Å; K617-L670 HydrophobicContact CB-CB 4.38Å; K617-L670 PolarHBondContact N-O 3.04Å; K617-L670 VanDerWaalsContact N-O 3.15Å; K617-L670 PolarHBondContact O-N 3.33Å; K617-F686 HydrophobicContact CB-CD1 4.36Å; K617-F686 HydrophobicContact CD-CD1 3.56Å; K617-F686 HydrophobicContact CD-CE1 3.93Å; K617-F686 HydrophobicContact CD-CG 4.41Å; K617-K687 CarbonylContact C-O 3.59Å; K617-K687 VanDerWaalsContact CA-O 3.24Å; K617-K687 WeakPolarHBondContact CA-O 3.45Å; K617-S694 VanDerWaalsContact CE-OG 3.24Å; K617-S694 WeakPolarHBondContact CE-OG 3.27Å; K617-S694 PolarHBondContact NZ-OG 3.44Å
618	D	98.1	Very high	90.8	Very high	22 Å²	22	51.4 Å²	51.4	12%	0.118	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	117	167.5	176.8	13.6	0	0	0	106.3	R667 K687 V689	D618-R667 IonicContact OD1-CZ 2.77Å; D618-R667 IonicContact OD1-NE 3.8Å; D618-R667 PolarHBondContact OD1-NE 2.85Å; D618-R667 IonicContact OD1-NH2 2.79Å; D618-R667 PolarHBondContact OD1-NH2 2.84Å; D618-R667 IonicContact OD2-CZ 2.95Å; D618-R667 IonicContact OD2-NE 3.71Å; D618-R667 IonicContact OD2-NH2 3.57Å; D618-R667 PolarHBondContact OD2-NH2 3.34Å; D618-K687 HydrophobicContact CB-CB 4.26Å; D618-K687 PolarHBondContact N-O 2.92Å; D618-K687 WeakPolarHBondContact O-CB 3.41Å; D618-K687 PolarHBondContact O-N 3.18Å; D618-V689 HydrophobicContact CB-CG1 3.84Å
619	V	98.4	Very high	91.9	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	138.9	-162.2	-166.6	0	0	0	0	109.8	K617 R667 I668 L670 Q685 F686	K617-V619 HydrophobicContact CB-CG2 3.9Å; V619-R667 CarbonylContact O-C 3.5Å; V619-R667 WeakPolarHBondContact O-CA 3.48Å; V619-I668 PolarHBondContact N-O 3.45Å; V619-I668 PolarHBondContact O-N 2.94Å; V619-L670 HydrophobicContact CG2-CD1 3.65Å; V619-L670 HydrophobicContact CG2-CG 3.78Å; V619-Q685 WeakPolarHBondContact CA-O 3.41Å; V619-F686 HydrophobicContact CB-CD1 4.29Å; V619-F686 HydrophobicContact CB-CE1 4.34Å; V619-F686 HydrophobicContact CG1-CD1 3.81Å; V619-F686 HydrophobicContact CG1-CE1 3.65Å; V619-F686 HydrophobicContact CG1-CZ 4.26Å; V619-F686 HydrophobicContact CG2-CD1 3.61Å; V619-F686 HydrophobicContact CG2-CE1 3.69Å
620	I	98.6	Very high	93.2	Very high	12 Å²	12	42.4 Å²	42.4	6%	0.062	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	128	170.6	-69.6	156.5	0	0	0	107.5	F622 L655 A666 R667 H684 Q685	I620-F622 HydrophobicContact CG2-CD2 4.48Å; I620-F622 HydrophobicContact CG2-CE2 4.01Å; I620-F622 HydrophobicContact CG2-CZ 4.18Å; I620-L655 HydrophobicContact CD1-CD1 3.8Å; I620-L655 HydrophobicContact CD1-CG 4.46Å; I620-L655 HydrophobicContact CG1-CD1 4.12Å; I620-L655 HydrophobicContact CG2-CD2 3.93Å; I620-A666 WeakPolarHBondContact CA-O 3.47Å; I620-R667 HydrophobicContact CG1-CB 4.29Å; I620-R667 HydrophobicContact CG1-CG 4.11Å; I620-H684 CarbonylContact O-C 3.57Å; I620-H684 WeakPolarHBondContact O-CA 3.42Å; I620-H684 WeakPolarHBondContact O-CB 3.29Å; I620-Q685 HydrophobicContact CB-CB 4.36Å; I620-Q685 PolarHBondContact N-O 3.26Å; I620-Q685 PolarHBondContact O-N 2.85Å
621	C	98.6	Very high	94.4	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	131.6	172	-62.5	0	0	0	0	109.4	A411 Y665 A666 V682 H684	A411-C621 HydrophobicContact CB-CB 3.97Å; A411-C621 VanDerWaalsContact O-CB 3.26Å; A411-C621 WeakPolarHBondContact O-CB 3.33Å; C621-Y665 CarbonylContact O-C 3.51Å; C621-Y665 VanDerWaalsContact O-CA 3.23Å; C621-Y665 WeakPolarHBondContact O-CA 3.42Å; C621-Y665 WeakPolarHBondContact O-CB 3.05Å; C621-A666 PolarHBondContact N-O 3.46Å; C621-A666 PolarHBondContact O-N 3.36Å; C621-V682 HydrophobicContact CB-CG1 3.83Å; C621-H684 HydrophobicContact CB-CB 4.39Å
622	F	98.7	Very high	95.7	Very high	1 Å²	1	39.1 Å²	39.1	0%	0.004	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	147.3	173.2	-67.3	-79.7	0	0	0	110.8	I620 V630 L634 V650 L655 M658 I663 I683	I620-F622 HydrophobicContact CG2-CD2 4.48Å; I620-F622 HydrophobicContact CG2-CE2 4.01Å; I620-F622 HydrophobicContact CG2-CZ 4.18Å; F622-V630 HydrophobicContact CB-CG2 3.96Å; F622-V630 HydrophobicContact CD1-CG1 4.42Å; F622-V630 HydrophobicContact CD1-CG2 3.71Å; F622-V630 HydrophobicContact CD2-CG1 3.78Å; F622-V630 HydrophobicContact CD2-CG2 4.4Å; F622-V630 HydrophobicContact CE1-CG2 4.31Å; F622-V630 HydrophobicContact CE2-CG1 4.03Å; F622-V630 HydrophobicContact CG-CG1 3.98Å; F622-V630 HydrophobicContact CG-CG2 3.77Å; F622-V630 HydrophobicContact CZ-CG1 4.46Å; F622-L634 HydrophobicContact CE2-CD1 4.17Å; F622-V650 HydrophobicContact CZ-CG1 4.18Å; F622-L655 HydrophobicContact CE1-CD2 4.06Å; F622-L655 HydrophobicContact CZ-CD2 3.93Å; F622-M658 HydrophobicContact CD1-CE 4.19Å; F622-M658 HydrophobicContact CE1-CE 3.41Å; F622-M658 VanDerWaalsContact CE1-CE 3.41Å; F622-M658 HydrophobicContact CE1-SD 4.17Å; F622-M658 HydrophobicContact CE2-CE 4.5Å; F622-M658 HydrophobicContact CZ-CE 3.59Å; F622-M658 HydrophobicContact CZ-SD 4.1Å; F622-I663 HydrophobicContact CD1-CG2 3.71Å; F622-I663 HydrophobicContact CE1-CG2 4.11Å; F622-I683 HydrophobicContact CB-CB 4.47Å; F622-I683 HydrophobicContact CD2-CB 4.18Å; F622-I683 HydrophobicContact CD2-CG2 3.91Å; F622-I683 WeakPolarHBondContact CD2-O 3.37Å; F622-I683 HydrophobicContact CE2-CG2 4.45Å; F622-I683 PolarHBondContact N-O 2.88Å
623	H	98.4	Very high	96.5	Very high	12 Å²	12	38.7 Å²	38.7	6%	0.056	20%	0.195	C	C	.	.			trans	-68.9	137.9	-179.3	-173.4	-84.7	0	0	0	111.2	A370 E625 D626 R664	A370-H623 HydrophobicContact CB-CB 4.17Å; H623-E625 VanDerWaalsContact C-N 3.31Å; H623-E625 IonicContact CE1-OE2 3.84Å; H623-E625 PolarHBondContact CE1-OE2 2.78Å; H623-E625 PolarHBondContact ND1-N 2.95Å; H623-E625 IonicContact ND1-OE2 3.95Å; H623-E625 PolarHBondContact O-N 2.99Å; H623-D626 WeakPolarHBondContact O-CB 3.38Å; H623-D626 PolarHBondContact O-N 2.76Å; H623-R664 HydrophobicContact CB-CB 3.71Å; H623-R664 PolarHBondContact CE1-NH1 3.28Å; H623-R664 PolarHBondContact N-O 3.16Å; H623-R664 VanDerWaalsContact N-O 3.16Å; H623-R664 VanDerWaalsContact ND1-CZ 3.3Å; H623-R664 PolarHBondContact ND1-NH1 3.06Å; H623-R664 PolarHBondContact NE2-NH1 2.94Å
624	A	97.8	Very high	97.1	Very high	5 Å²	5	35.4 Å²	35.4	4%	0.041	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-60.9	-32.7	-169.8	0	0	0	0	0	114.5	A407 A408 D626 F627 N681 V682	A407-A624 HydrophobicContact CB-CB 4.05Å; A408-A624 HydrophobicContact CB-CB 4.13Å; A624-D626 PolarHBondContact O-N 2.68Å; A624-F627 VanDerWaalsContact O-CB 3.27Å; A624-F627 WeakPolarHBondContact O-CB 3.45Å; A624-F627 PolarHBondContact O-N 3.01Å; A624-N681 HydrophobicContact CB-CB 4.22Å; A624-V682 HydrophobicContact CB-CG2 4.27Å
625	E	97.1	Very high	97.3	Very high	52 Å²	52	39.7 Å²	39.7	24%	0.243	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-62.5	-26.7	173	-72.1	-173.7	120.6	0	0	113.6	N403 K405 A407 H623 F627 R664	N403-E625 VanDerWaalsContact ND2-CD 3.3Å; N403-E625 PolarHBondContact ND2-OE1 3.01Å; K405-E625 WeakPolarHBondContact CD-OE1 3.18Å; K405-E625 WeakPolarHBondContact CE-OE1 3.2Å; K405-E625 IonicContact NZ-OE1 2.61Å; K405-E625 PolarHBondContact NZ-OE1 2.93Å; A407-E625 HydrophobicContact CB-CB 4.18Å; A407-E625 HydrophobicContact CB-CG 3.42Å; A407-E625 VanDerWaalsContact CB-CG 3.42Å; H623-E625 VanDerWaalsContact C-N 3.31Å; H623-E625 IonicContact CE1-OE2 3.84Å; H623-E625 PolarHBondContact CE1-OE2 2.78Å; H623-E625 PolarHBondContact ND1-N 2.95Å; H623-E625 IonicContact ND1-OE2 3.95Å; H623-E625 PolarHBondContact O-N 2.99Å; E625-F627 VanDerWaalsContact C-N 3.3Å; E625-R664 IonicContact OE2-CZ 2.79Å; E625-R664 VanDerWaalsContact OE2-CZ 3.23Å; E625-R664 IonicContact OE2-NH1 3.62Å; E625-R664 PolarHBondContact OE2-NH1 3.28Å; E625-R664 IonicContact OE2-NH2 3.8Å; E625-R664 PolarHBondContact OE2-NH2 2.83Å
626	D	97.7	Very high	97.2	Very high	15 Å²	15	37.4 Å²	37.4	8%	0.08	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-93.7	6.6	-173.6	-52.6	-19.8	0	0	0	111.1	H623 A624 T628 D629 V630 I663 R664	H623-D626 WeakPolarHBondContact O-CB 3.38Å; H623-D626 PolarHBondContact O-N 2.76Å; A624-D626 PolarHBondContact O-N 2.68Å; D626-T628 PolarHBondContact O-N 2.98Å; D626-D629 PolarHBondContact O-N 3.04Å; D626-V630 WeakPolarHBondContact O-CG2 3.37Å; D626-V630 PolarHBondContact O-N 2.8Å; D626-I663 HydrophobicContact CB-CG2 4.2Å; D626-R664 IonicContact OD1-CZ 2.91Å; D626-R664 IonicContact OD1-NE 2.79Å; D626-R664 PolarHBondContact OD1-NE 2.95Å; D626-R664 IonicContact OD1-NH2 3.7Å; D626-R664 PolarHBondContact OD1-NH2 2.81Å; D626-R664 VanDerWaalsContact OD2-CB 3.29Å; D626-R664 WeakPolarHBondContact OD2-CB 3.46Å; D626-R664 IonicContact OD2-CZ 3.88Å; D626-R664 PolarHBondContact OD2-N 2.94Å; D626-R664 IonicContact OD2-NE 3.36Å; D626-R664 PolarHBondContact OD2-NE 3.3Å; D626-R664 IonicContact OD2-NH2 3.31Å
627	F	97	Very high	97	Very high	30 Å²	30	41.3 Å²	41.3	13%	0.132	21%	0.205	C	C	.	.	H	α-helix	trans	-49.3	-56.6	-176.4	175.7	-101.2	0	0	0	112.9	A583 A624 E625 D629 V630 V631 L638 N681 I683	A583-F627 HydrophobicContact CB-CE2 3.84Å; A624-F627 VanDerWaalsContact O-CB 3.27Å; A624-F627 WeakPolarHBondContact O-CB 3.45Å; A624-F627 PolarHBondContact O-N 3.01Å; E625-F627 VanDerWaalsContact C-N 3.3Å; F627-D629 VanDerWaalsContact C-N 3.32Å; F627-D629 PolarHBondContact O-N 3.46Å; F627-V630 PolarHBondContact O-N 3.28Å; F627-V630 VanDerWaalsContact O-N 3.1Å; F627-V631 HydrophobicContact CD1-CG2 4.27Å; F627-V631 HydrophobicContact CE1-CG2 4.03Å; F627-V631 HydrophobicContact CE2-CG2 4.3Å; F627-V631 HydrophobicContact CZ-CG2 4.06Å; F627-V631 WeakPolarHBondContact O-CG2 3.46Å; F627-V631 PolarHBondContact O-N 2.74Å; F627-L638 HydrophobicContact CE1-CD1 4.06Å; F627-L638 HydrophobicContact CZ-CD1 3.69Å; F627-N681 HydrophobicContact CB-CB 4.29Å; F627-N681 HydrophobicContact CD2-CB 4.08Å; F627-N681 WeakPolarHBondContact CD2-O 3.42Å; F627-N681 HydrophobicContact CG-CB 4.15Å; F627-I683 HydrophobicContact CD2-CD1 3.44Å; F627-I683 VanDerWaalsContact CD2-CD1 3.44Å; F627-I683 HydrophobicContact CD2-CG1 3.66Å; F627-I683 HydrophobicContact CE2-CD1 3.77Å; F627-I683 HydrophobicContact CE2-CG1 3.78Å; F627-I683 HydrophobicContact CG-CD1 4.2Å
628	T	96	Very high	96.6	Very high	103 Å²	103	42.8 Å²	42.8	63%	0.632	21%	0.213	S	C	*	.	H	α-helix	trans	-60	-41	-176.6	-51.6	0	0	0	0	112.2	D626 V631 Q632	D626-T628 PolarHBondContact O-N 2.98Å; T628-V631 PolarHBondContact O-N 3.32Å; T628-Q632 PolarHBondContact O-N 2.99Å; T628-Q632 VanDerWaalsContact O-N 3.12Å
629	D	97.3	Very high	96.1	Very high	86 Å²	86	48.1 Å²	48.1	46%	0.46	24%	0.237	S	C	.	.	H	α-helix	trans	-64.4	-44.9	176.1	-71.6	-37.8	0	0	0	110.4	D626 F627 Q632 R633 I663	D626-D629 PolarHBondContact O-N 3.04Å; F627-D629 VanDerWaalsContact C-N 3.32Å; F627-D629 PolarHBondContact O-N 3.46Å; D629-Q632 PolarHBondContact O-N 2.68Å; D629-R633 WeakPolarHBondContact O-CB 3.36Å; D629-R633 PolarHBondContact O-N 2.92Å; D629-I663 HydrophobicContact CB-CD1 4.1Å; D629-I663 HydrophobicContact CB-CG1 4.21Å
630	V	97.6	Very high	95.7	Very high	0 Å²	0	52 Å²	52	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-63.7	-42.6	178.4	176.7	0	0	0	0	111.9	F622 D626 F627 Q632 R633 L634 M658 I663 I683	F622-V630 HydrophobicContact CB-CG2 3.96Å; F622-V630 HydrophobicContact CD1-CG1 4.42Å; F622-V630 HydrophobicContact CD1-CG2 3.71Å; F622-V630 HydrophobicContact CD2-CG1 3.78Å; F622-V630 HydrophobicContact CD2-CG2 4.4Å; F622-V630 HydrophobicContact CE1-CG2 4.31Å; F622-V630 HydrophobicContact CE2-CG1 4.03Å; F622-V630 HydrophobicContact CG-CG1 3.98Å; F622-V630 HydrophobicContact CG-CG2 3.77Å; F622-V630 HydrophobicContact CZ-CG1 4.46Å; D626-V630 WeakPolarHBondContact O-CG2 3.37Å; D626-V630 PolarHBondContact O-N 2.8Å; F627-V630 PolarHBondContact O-N 3.28Å; F627-V630 VanDerWaalsContact O-N 3.1Å; V630-Q632 VanDerWaalsContact C-N 3.33Å; V630-Q632 PolarHBondContact O-N 2.88Å; V630-R633 PolarHBondContact O-N 2.94Å; V630-L634 HydrophobicContact CG1-CD1 3.64Å; V630-L634 HydrophobicContact CG1-CG 4.05Å; V630-L634 WeakPolarHBondContact O-CB 3.3Å; V630-L634 WeakPolarHBondContact O-CG 3.03Å; V630-L634 PolarHBondContact O-N 3.49Å; V630-M658 HydrophobicContact CB-CE 4.4Å; V630-M658 HydrophobicContact CG1-CE 4.12Å; V630-M658 HydrophobicContact CG2-CE 3.9Å; V630-I663 HydrophobicContact CG2-CD1 4.14Å; V630-I663 HydrophobicContact CG2-CG2 3.62Å; V630-I683 HydrophobicContact CB-CD1 3.8Å; V630-I683 HydrophobicContact CG1-CB 4.1Å; V630-I683 HydrophobicContact CG1-CD1 3.63Å; V630-I683 HydrophobicContact CG1-CG1 4.46Å; V630-I683 HydrophobicContact CG1-CG2 3.83Å
631	V	96.1	Very high	95	Very high	29 Å²	29	54.9 Å²	54.9	18%	0.176	27%	0.274	C	S	.	.	H	α-helix	trans	-52	-53.1	172.1	171.1	0	0	0	0	110	F627 T628 R633 Q635 L636 L638 I683	F627-V631 HydrophobicContact CD1-CG2 4.27Å; F627-V631 HydrophobicContact CE1-CG2 4.03Å; F627-V631 HydrophobicContact CE2-CG2 4.3Å; F627-V631 HydrophobicContact CZ-CG2 4.06Å; F627-V631 WeakPolarHBondContact O-CG2 3.46Å; F627-V631 PolarHBondContact O-N 2.74Å; T628-V631 PolarHBondContact O-N 3.32Å; V631-R633 PolarHBondContact O-N 3.37Å; V631-Q635 WeakPolarHBondContact O-CA 3.45Å; V631-Q635 PolarHBondContact O-N 3.11Å; V631-L636 HydrophobicContact CG1-CB 4.3Å; V631-L636 HydrophobicContact CG2-CD1 4.27Å; V631-L636 PolarHBondContact O-N 3.48Å; V631-L638 HydrophobicContact CG1-CD1 4.39Å; V631-L638 HydrophobicContact CG1-CG 4.42Å; V631-L638 HydrophobicContact CG2-CD1 3.97Å; V631-L638 HydrophobicContact CG2-CD2 4.26Å; V631-L638 HydrophobicContact CG2-CG 4.36Å; V631-I683 HydrophobicContact CG2-CD1 3.77Å
632	Q	96.3	Very high	94.4	Very high	146 Å²	146	56.9 Å²	56.9	68%	0.682	29%	0.288	S	S	*	.	H	α-helix	trans	-66.6	-36	-179.5	-167.2	-178.4	10.1	0	0	112.7	T628 D629 V630	T628-Q632 PolarHBondContact O-N 2.99Å; T628-Q632 VanDerWaalsContact O-N 3.12Å; D629-Q632 PolarHBondContact O-N 2.68Å; V630-Q632 VanDerWaalsContact C-N 3.33Å; V630-Q632 PolarHBondContact O-N 2.88Å
633	R	95.5	Very high	93.7	Very high	111 Å²	111	62.3 Å²	62.3	42%	0.419	32%	0.32	S	S	.	.	H	α-helix	trans	-82.5	-22.1	-174.3	-141.1	75.1	-176.9	115.3	2.1	114.7	D629 V630 V631 K654 M658 E661 I663	D629-R633 WeakPolarHBondContact O-CB 3.36Å; D629-R633 PolarHBondContact O-N 2.92Å; V630-R633 PolarHBondContact O-N 2.94Å; V631-R633 PolarHBondContact O-N 3.37Å; R633-K654 PolarHBondContact O-NZ 3.09Å; R633-M658 HydrophobicContact CB-CE 4.46Å; R633-M658 HydrophobicContact CG-CG 4.41Å; R633-E661 IonicContact CZ-OE1 3.71Å; R633-E661 IonicContact CZ-OE2 3.9Å; R633-E661 IonicContact NE-OE1 2.79Å; R633-E661 IonicContact NE-OE2 2.7Å; R633-E661 PolarHBondContact NE-OE2 3.29Å; R633-E661 IonicContact NH2-OE1 3.77Å; R633-E661 PolarHBondContact NH2-OE1 3.26Å; R633-E661 IonicContact NH2-OE2 2.74Å; R633-E661 PolarHBondContact NH2-OE2 2.86Å; R633-I663 HydrophobicContact CB-CD1 4.45Å
634	L	96.5	Very high	93.2	Very high	0 Å²	0	64 Å²	64	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-101.8	-10.3	173.5	-59.9	-173.5	0	0	0	112.8	A581 F622 V630 L636 V650 K654 M658	A581-L634 HydrophobicContact CB-CD1 3.63Å; F622-L634 HydrophobicContact CE2-CD1 4.17Å; V630-L634 HydrophobicContact CG1-CD1 3.64Å; V630-L634 HydrophobicContact CG1-CG 4.05Å; V630-L634 WeakPolarHBondContact O-CB 3.3Å; V630-L634 WeakPolarHBondContact O-CG 3.03Å; V630-L634 PolarHBondContact O-N 3.49Å; L634-L636 HydrophobicContact CB-CD2 3.83Å; L634-L636 HydrophobicContact CB-CG 4.05Å; L634-L636 HydrophobicContact CD1-CD2 4.45Å; L634-V650 HydrophobicContact CD1-CG2 3.77Å; L634-V650 HydrophobicContact CD2-CG2 3.73Å; L634-V650 HydrophobicContact CG-CG2 4.44Å; L634-K654 HydrophobicContact CD2-CG 4.49Å; L634-M658 HydrophobicContact CD2-CE 4.17Å; L634-M658 HydrophobicContact CD2-SD 3.89Å; L634-M658 HydrophobicContact CG-CE 4.26Å
635	Q	95.4	Very high	92.9	Very high	142 Å²	142	63.9 Å²	63.9	66%	0.664	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.4	54.4	-173.4	-60.2	174.4	-29.7	0	0	110.5	V631	V631-Q635 WeakPolarHBondContact O-CA 3.45Å; V631-Q635 PolarHBondContact O-N 3.11Å
636	L	94.6	Very high	92.9	Very high	14 Å²	14	61.5 Å²	61.5	7%	0.073	32%	0.321	C	S	.	.			trans	-73.8	126.2	175.3	-55.4	-174.9	0	0	0	109.8	A581 V631 L634 L638 Q645 C646 I683	A581-L636 HydrophobicContact CB-CD2 4.49Å; V631-L636 HydrophobicContact CG1-CB 4.3Å; V631-L636 HydrophobicContact CG2-CD1 4.27Å; V631-L636 PolarHBondContact O-N 3.48Å; L634-L636 HydrophobicContact CB-CD2 3.83Å; L634-L636 HydrophobicContact CB-CG 4.05Å; L634-L636 HydrophobicContact CD1-CD2 4.45Å; L636-L638 HydrophobicContact CB-CD2 4.11Å; L636-L638 HydrophobicContact CD1-CD2 4.41Å; L636-Q645 WeakPolarHBondContact CA-O 3.43Å; L636-C646 HydrophobicContact CD2-CB 3.4Å; L636-I683 HydrophobicContact CD1-CD1 3.64Å; L636-I683 HydrophobicContact CD1-CG1 3.92Å; L636-I683 HydrophobicContact CD1-CG2 3.91Å
637	D	92.6	Very high	92.5	Very high	82 Å²	82	66.2 Å²	66.2	44%	0.439	35%	0.35	S	S	.	.			trans	-86.3	110.6	160.5	-164.9	-32.9	0	0	0	107.8	H639 E640 Q645	D637-H639 VanDerWaalsContact C-N 3.27Å; D637-H639 PolarHBondContact O-N 3.3Å; D637-H639 IonicContact OD1-CD2 2.92Å; D637-H639 IonicContact OD1-CG 3.24Å; D637-H639 PolarHBondContact OD1-N 3.15Å; D637-E640 HydrophobicContact CB-CB 4.37Å; D637-E640 HydrophobicContact CB-CG 4.1Å; D637-Q645 PolarHBondContact N-O 2.75Å; D637-Q645 WeakPolarHBondContact O-CA 3.19Å; D637-Q645 WeakPolarHBondContact O-CB 3.15Å; D637-Q645 VanDerWaalsContact O-CG 3.3Å; D637-Q645 WeakPolarHBondContact O-CG 3.43Å
638	L	90.5	Very high	92.3	Very high	37 Å²	37	68.1 Å²	68.1	19%	0.194	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-4.5	-178.4	-63.4	-176.2	0	0	0	113.4	W592 F627 V631 L636	W592-L638 WeakPolarHBondContact CZ3-O 3.42Å; F627-L638 HydrophobicContact CE1-CD1 4.06Å; F627-L638 HydrophobicContact CZ-CD1 3.69Å; V631-L638 HydrophobicContact CG1-CD1 4.39Å; V631-L638 HydrophobicContact CG1-CG 4.42Å; V631-L638 HydrophobicContact CG2-CD1 3.97Å; V631-L638 HydrophobicContact CG2-CD2 4.26Å; V631-L638 HydrophobicContact CG2-CG 4.36Å; L636-L638 HydrophobicContact CB-CD2 4.11Å; L636-L638 HydrophobicContact CD1-CD2 4.41Å
639	H	87.4	Confident	92.3	Very high	133 Å²	133	66.9 Å²	66.9	62%	0.616	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.4	-10.9	173.8	-57.6	-68.2	0	0	0	112.7	D637	D637-H639 VanDerWaalsContact C-N 3.27Å; D637-H639 PolarHBondContact O-N 3.3Å; D637-H639 IonicContact OD1-CD2 2.92Å; D637-H639 IonicContact OD1-CG 3.24Å; D637-H639 PolarHBondContact OD1-N 3.15Å
640	E	89.2	Confident	92.3	Very high	83 Å²	83	62.8 Å²	62.8	39%	0.388	32%	0.322	S	S	.	.	S	Bend	trans	-80.6	149.9	171.1	-77.8	-77.9	148.3	0	0	111.2	D637 S644 Q645	D637-E640 HydrophobicContact CB-CB 4.37Å; D637-E640 HydrophobicContact CB-CG 4.1Å; E640-S644 WeakPolarHBondContact OE2-CB 3.25Å; E640-S644 PolarHBondContact OE2-OG 2.85Å; E640-Q645 HydrophobicContact CB-CG 4.35Å; E640-Q645 WeakPolarHBondContact O-CG 3.32Å; E640-Q645 PolarHBondContact O-NE2 3.4Å; E640-Q645 VanDerWaalsContact O-NE2 3.16Å
641	P	85.6	Confident	92.2	Very high	71 Å²	71	66.5 Å²	66.5	46%	0.461	34%	0.341	S	S	.	.			trans	-65.1	155.8	171.2	28	-34.8	0	0	0	111.4	V643 S644 Q645	P641-V643 PolarHBondContact O-N 2.76Å; P641-S644 PolarHBondContact O-N 3.3Å; P641-S644 PolarHBondContact O-OG 3.09Å; P641-Q645 PolarHBondContact O-N 3.48Å
642	P	85.8	Confident	92.2	Very high	43 Å²	43	68.4 Å²	68.4	28%	0.279	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-42.1	-32	-175.9	-39.3	39.8	0	0	0	118.2	H582 S644	H582-P642 HydrophobicContact CB-CB 4.07Å; P642-S644 VanDerWaalsContact C-N 3.33Å; P642-S644 PolarHBondContact O-N 2.74Å
643	V	83.8	Confident	92.3	Very high	114 Å²	114	64.5 Å²	64.5	69%	0.691	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-23.9	-178.2	-177.8	0	0	0	0	112.9	P641	P641-V643 PolarHBondContact O-N 2.76Å
644	S	87.9	Confident	92.4	Very high	47 Å²	47	60.7 Å²	60.7	33%	0.329	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.5	-15.3	-176.6	33.2	0	0	0	0	115.4	E640 P641 P642 C646	E640-S644 WeakPolarHBondContact OE2-CB 3.25Å; E640-S644 PolarHBondContact OE2-OG 2.85Å; P641-S644 PolarHBondContact O-N 3.3Å; P641-S644 PolarHBondContact O-OG 3.09Å; P642-S644 VanDerWaalsContact C-N 3.33Å; P642-S644 PolarHBondContact O-N 2.74Å; S644-C646 PolarHBondContact O-N 2.7Å; S644-C646 VanDerWaalsContact O-N 3.08Å
645	Q	92.1	Very high	92.5	Very high	4 Å²	4	60.7 Å²	60.7	2%	0.019	33%	0.328	C	S	.	.	S	Bend	trans	-45.5	-44.3	179.2	-67	-171.3	-4.3	0	0	113.9	H582 A583 L636 D637 E640 P641	H582-Q645 HydrophobicContact CB-CB 4.43Å; H582-Q645 VanDerWaalsContact CB-OE1 3.28Å; A583-Q645 PolarHBondContact O-NE2 3.36Å; A583-Q645 VanDerWaalsContact O-NE2 3.14Å; A583-Q645 PolarHBondContact O-OE1 2.78Å; L636-Q645 WeakPolarHBondContact CA-O 3.43Å; D637-Q645 PolarHBondContact N-O 2.75Å; D637-Q645 WeakPolarHBondContact O-CA 3.19Å; D637-Q645 WeakPolarHBondContact O-CB 3.15Å; D637-Q645 VanDerWaalsContact O-CG 3.3Å; D637-Q645 WeakPolarHBondContact O-CG 3.43Å; E640-Q645 HydrophobicContact CB-CG 4.35Å; E640-Q645 WeakPolarHBondContact O-CG 3.32Å; E640-Q645 PolarHBondContact O-NE2 3.4Å; E640-Q645 VanDerWaalsContact O-NE2 3.16Å; P641-Q645 PolarHBondContact O-N 3.48Å
646	C	95.1	Very high	92.6	Very high	1 Å²	1	56.7 Å²	56.7	1%	0.007	31%	0.311	C	S	.	.			trans	-112.5	136.4	174.2	-162.1	0	0	0	0	112	R580 A581 L636 S644 Q648	R580-C646 HydrophobicContact CB-CB 4.2Å; R580-C646 WeakPolarHBondContact CD-O 3.44Å; A581-C646 HydrophobicContact CB-CB 4.29Å; A581-C646 WeakPolarHBondContact O-CB 3.27Å; L636-C646 HydrophobicContact CD2-CB 3.4Å; S644-C646 PolarHBondContact O-N 2.7Å; S644-C646 VanDerWaalsContact O-N 3.08Å; C646-Q648 PolarHBondContact SG-N 3.4Å; C646-Q648 PolarHBondContact SG-O 3.18Å
647	V	90.6	Very high	92.7	Very high	115 Å²	115	59.5 Å²	59.5	70%	0.697	32%	0.323	S	S	*	.	S	Bend	trans	-88.3	-20	168.9	-60.6	0	0	0	0	113.1	R580	R580-V647 PolarHBondContact NE-O 3.44Å
648	Q	92.4	Very high	93	Very high	69 Å²	69	55.6 Å²	55.6	32%	0.322	30%	0.303	S	S	.	.	S	Bend	trans	-92.9	153.1	-173.8	-51.5	-172.5	20.1	0	0	111.4	R580 C646	R580-Q648 WeakPolarHBondContact CD-O 3.38Å; C646-Q648 PolarHBondContact SG-N 3.4Å; C646-Q648 PolarHBondContact SG-O 3.18Å
649	W	96.1	Very high	93.3	Very high	77 Å²	77	58.1 Å²	58.1	29%	0.292	31%	0.31	S	S	.	.			trans	-100	127.4	163.8	175.7	-100.8	0	0	0	108.4	R578 R580 D651 Q685 K687	R578-W649 HydrophobicContact CB-CE3 4.03Å; R578-W649 HydrophobicContact CB-CH2 3.99Å; R578-W649 HydrophobicContact CB-CZ3 3.53Å; R578-W649 HydrophobicContact CG-CE3 4.25Å; R578-W649 HydrophobicContact CG-CH2 3.75Å; R578-W649 HydrophobicContact CG-CZ2 4.22Å; R578-W649 HydrophobicContact CG-CZ3 3.78Å; R580-W649 HydrophobicContact CG-CE3 4.44Å; W649-D651 PolarHBondContact O-N 3.15Å; W649-Q685 HydrophobicContact CE3-CG 3.95Å; W649-Q685 VanDerWaalsContact CE3-OE1 3.24Å; W649-Q685 HydrophobicContact CH2-CG 3.63Å; W649-Q685 HydrophobicContact CZ2-CG 4.48Å; W649-Q685 HydrophobicContact CZ3-CG 3.31Å; W649-K687 HydrophobicContact CH2-CB 3.93Å; W649-K687 HydrophobicContact CZ2-CB 4.22Å
650	V	97.4	Very high	93.8	Very high	1 Å²	1	61.2 Å²	61.2	1%	0.006	32%	0.316	C	S	.	.			trans	-81	113.4	175.7	-178.5	0	0	0	0	108.5	A581 F622 L634 K654 L655 Q685	A581-V650 HydrophobicContact CB-CG2 4.22Å; F622-V650 HydrophobicContact CZ-CG1 4.18Å; L634-V650 HydrophobicContact CD1-CG2 3.77Å; L634-V650 HydrophobicContact CD2-CG2 3.73Å; L634-V650 HydrophobicContact CG-CG2 4.44Å; V650-K654 HydrophobicContact CG1-CB 4.31Å; V650-K654 HydrophobicContact CG1-CG 4.07Å; V650-L655 HydrophobicContact CG1-CD2 3.6Å; V650-L655 HydrophobicContact CG1-CG 3.81Å; V650-Q685 PolarHBondContact O-NE2 3.25Å
651	D	96.4	Very high	94.1	Very high	78 Å²	78	61 Å²	61	42%	0.417	32%	0.315	S	S	.	.			trans	-104.7	175.6	174.9	81.4	-22.2	0	0	0	112.1	W649 A653 K654 L655	W649-D651 PolarHBondContact O-N 3.15Å; D651-A653 PolarHBondContact O-N 2.79Å; D651-A653 PolarHBondContact OD1-N 3.16Å; D651-K654 PolarHBondContact O-N 3.48Å; D651-K654 WeakPolarHBondContact OD1-CB 3.43Å; D651-K654 PolarHBondContact OD1-N 2.89Å; D651-L655 WeakPolarHBondContact O-CG 3.31Å; D651-L655 PolarHBondContact O-N 3.09Å
652	E	96.1	Very high	94.7	Very high	68 Å²	68	59.9 Å²	59.9	32%	0.318	32%	0.316	S	S	.	.	H	α-helix	trans	-58.2	-31.6	178.9	-168.4	66.6	-135.5	0	0	112.1	N656 R667	E652-N656 WeakPolarHBondContact O-CB 3.3Å; E652-N656 PolarHBondContact O-N 3.11Å; E652-N656 PolarHBondContact O-ND2 3.43Å; E652-N656 PolarHBondContact OE1-ND2 2.88Å; E652-R667 IonicContact OE2-CZ 3.48Å; E652-R667 IonicContact OE2-NH1 3.29Å; E652-R667 PolarHBondContact OE2-NH1 3.04Å
653	A	97.2	Very high	95.3	Very high	65 Å²	65	58.1 Å²	58.1	54%	0.537	30%	0.304	S	S	.	.	H	α-helix	trans	-70.4	-43.6	177	0	0	0	0	0	112	D651 N656 Q657	D651-A653 PolarHBondContact O-N 2.79Å; D651-A653 PolarHBondContact OD1-N 3.16Å; A653-N656 PolarHBondContact O-N 3.21Å; A653-Q657 PolarHBondContact O-N 3.04Å
654	K	97.5	Very high	96	Very high	30 Å²	30	55.5 Å²	55.5	13%	0.13	28%	0.282	C	S	.	.	H	α-helix	trans	-64.6	-41.8	174.3	180	64.1	173.2	-174.6	0	111.7	R633 L634 V650 D651 Q657 M658	R633-K654 PolarHBondContact O-NZ 3.09Å; L634-K654 HydrophobicContact CD2-CG 4.49Å; V650-K654 HydrophobicContact CG1-CB 4.31Å; V650-K654 HydrophobicContact CG1-CG 4.07Å; D651-K654 PolarHBondContact O-N 3.48Å; D651-K654 WeakPolarHBondContact OD1-CB 3.43Å; D651-K654 PolarHBondContact OD1-N 2.89Å; K654-Q657 WeakPolarHBondContact O-CB 3.48Å; K654-Q657 PolarHBondContact O-N 3.08Å; K654-Q657 VanDerWaalsContact O-N 3.15Å; K654-M658 HydrophobicContact CD-CG 4.39Å; K654-M658 HydrophobicContact CD-SD 4.07Å; K654-M658 HydrophobicContact CG-SD 3.91Å; K654-M658 WeakPolarHBondContact O-CG 3.48Å; K654-M658 PolarHBondContact O-N 3.3Å
655	L	98.1	Very high	96.5	Very high	1 Å²	1	53.3 Å²	53.3	1%	0.005	27%	0.267	C	S	.	.	H	α-helix	trans	-58.1	-48.2	172.4	-72.4	179.4	0	0	0	111.9	I620 F622 V650 D651 Q657 M658 R659 Y665	I620-L655 HydrophobicContact CD1-CD1 3.8Å; I620-L655 HydrophobicContact CD1-CG 4.46Å; I620-L655 HydrophobicContact CG1-CD1 4.12Å; I620-L655 HydrophobicContact CG2-CD2 3.93Å; F622-L655 HydrophobicContact CE1-CD2 4.06Å; F622-L655 HydrophobicContact CZ-CD2 3.93Å; V650-L655 HydrophobicContact CG1-CD2 3.6Å; V650-L655 HydrophobicContact CG1-CG 3.81Å; D651-L655 WeakPolarHBondContact O-CG 3.31Å; D651-L655 PolarHBondContact O-N 3.09Å; L655-Q657 VanDerWaalsContact C-N 3.26Å; L655-Q657 PolarHBondContact O-N 3.02Å; L655-M658 PolarHBondContact O-N 2.86Å; L655-R659 WeakPolarHBondContact O-CB 3.35Å; L655-R659 PolarHBondContact O-N 3.38Å; L655-Y665 HydrophobicContact CB-CD1 4.46Å; L655-Y665 HydrophobicContact CB-CE1 3.8Å; L655-Y665 HydrophobicContact CB-CE2 4.36Å; L655-Y665 HydrophobicContact CD1-CD2 4.21Å; L655-Y665 HydrophobicContact CD1-CE2 3.81Å; L655-Y665 HydrophobicContact CD2-CD1 3.89Å; L655-Y665 HydrophobicContact CD2-CD2 4.02Å; L655-Y665 HydrophobicContact CD2-CE1 4.07Å; L655-Y665 HydrophobicContact CD2-CE2 4.24Å; L655-Y665 HydrophobicContact CD2-CG 3.86Å; L655-Y665 HydrophobicContact CG-CE1 4.39Å; L655-Y665 HydrophobicContact CG-CE2 4.37Å
656	N	97.9	Very high	96.8	Very high	58 Å²	58	53.1 Å²	53.1	31%	0.31	27%	0.266	S	S	.	.	H	α-helix	trans	-67.3	-25.3	177	-82	-86.5	0	0	0	112.6	E652 A653 R660	E652-N656 WeakPolarHBondContact O-CB 3.3Å; E652-N656 PolarHBondContact O-N 3.11Å; E652-N656 PolarHBondContact O-ND2 3.43Å; E652-N656 PolarHBondContact OE1-ND2 2.88Å; A653-N656 PolarHBondContact O-N 3.21Å; N656-R660 VanDerWaalsContact C-NH1 3.25Å; N656-R660 WeakPolarHBondContact O-CG 3.43Å; N656-R660 PolarHBondContact O-NH1 3.23Å
657	Q	97.5	Very high	96.9	Very high	72 Å²	72	57.2 Å²	57.2	34%	0.336	28%	0.281	S	S	.	.	H	α-helix	trans	-67.2	-58.1	167.5	-173.6	-162.6	-23.5	0	0	110.3	A653 K654 L655 R659 R660 E661	A653-Q657 PolarHBondContact O-N 3.04Å; K654-Q657 WeakPolarHBondContact O-CB 3.48Å; K654-Q657 PolarHBondContact O-N 3.08Å; K654-Q657 VanDerWaalsContact O-N 3.15Å; L655-Q657 VanDerWaalsContact C-N 3.26Å; L655-Q657 PolarHBondContact O-N 3.02Å; Q657-R659 PolarHBondContact O-N 2.9Å; Q657-R660 WeakPolarHBondContact O-CB 2.95Å; Q657-R660 PolarHBondContact O-N 3.16Å; Q657-E661 PolarHBondContact NE2-OE1 2.9Å; Q657-E661 PolarHBondContact O-N 3.29Å
658	M	97.6	Very high	97.2	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-57.6	-35.2	-175.4	-70.1	169.5	71.9	0	0	111.9	F622 V630 R633 L634 K654 L655 R660 E661 G662 I663	F622-M658 HydrophobicContact CD1-CE 4.19Å; F622-M658 HydrophobicContact CE1-CE 3.41Å; F622-M658 VanDerWaalsContact CE1-CE 3.41Å; F622-M658 HydrophobicContact CE1-SD 4.17Å; F622-M658 HydrophobicContact CE2-CE 4.5Å; F622-M658 HydrophobicContact CZ-CE 3.59Å; F622-M658 HydrophobicContact CZ-SD 4.1Å; V630-M658 HydrophobicContact CB-CE 4.4Å; V630-M658 HydrophobicContact CG1-CE 4.12Å; V630-M658 HydrophobicContact CG2-CE 3.9Å; R633-M658 HydrophobicContact CB-CE 4.46Å; R633-M658 HydrophobicContact CG-CG 4.41Å; L634-M658 HydrophobicContact CD2-CE 4.17Å; L634-M658 HydrophobicContact CD2-SD 3.89Å; L634-M658 HydrophobicContact CG-CE 4.26Å; K654-M658 HydrophobicContact CD-CG 4.39Å; K654-M658 HydrophobicContact CD-SD 4.07Å; K654-M658 HydrophobicContact CG-SD 3.91Å; K654-M658 WeakPolarHBondContact O-CG 3.48Å; K654-M658 PolarHBondContact O-N 3.3Å; L655-M658 PolarHBondContact O-N 2.86Å; M658-R660 VanDerWaalsContact C-N 3.32Å; M658-R660 PolarHBondContact O-N 3.14Å; M658-E661 CarbonylContact O-C 3.54Å; M658-E661 WeakPolarHBondContact O-CA 3.33Å; M658-E661 WeakPolarHBondContact O-CB 3.09Å; M658-E661 PolarHBondContact O-N 2.84Å; M658-G662 PolarHBondContact O-N 3.3Å; M658-I663 HydrophobicContact CB-CB 4.24Å; M658-I663 HydrophobicContact CB-CD1 4.1Å; M658-I663 HydrophobicContact CE-CD1 3.81Å; M658-I663 HydrophobicContact CE-CG2 4.25Å; M658-I663 HydrophobicContact CG-CD1 4.29Å; M658-I663 PolarHBondContact O-N 2.89Å
659	R	97.8	Very high	97.4	Very high	90 Å²	90	53.5 Å²	53.5	34%	0.34	26%	0.256	S	S	.	.	H	α-helix	trans	-65.1	-30.4	176.2	-168.8	54.3	175.8	147.8	-3.3	114.5	N367 G368 L655 Q657 E661 G662 I663 Y665	N367-R659 WeakPolarHBondContact O-CG 3.43Å; N367-R659 PolarHBondContact O-NE 3.36Å; N367-R659 VanDerWaalsContact O-NE 3.16Å; G368-R659 PolarHBondContact O-NE 3.47Å; G368-R659 PolarHBondContact O-NH2 2.9Å; L655-R659 WeakPolarHBondContact O-CB 3.35Å; L655-R659 PolarHBondContact O-N 3.38Å; Q657-R659 PolarHBondContact O-N 2.9Å; R659-E661 PolarHBondContact O-N 3.48Å; R659-G662 PolarHBondContact NH1-O 3.41Å; R659-G662 VanDerWaalsContact NH1-O 3.09Å; R659-G662 PolarHBondContact O-N 2.93Å; R659-I663 WeakPolarHBondContact CD-O 3.5Å; R659-Y665 HydrophobicContact CB-CE1 4.16Å
660	R	97.4	Very high	97.5	Very high	198 Å²	198	49.9 Å²	49.9	75%	0.747	24%	0.243	S	C	*	.	H	α-helix	trans	-73.4	-16.8	172.7	-64.2	174.5	-174	106	-6.2	112.5	N656 Q657 M658 G662	N656-R660 VanDerWaalsContact C-NH1 3.25Å; N656-R660 WeakPolarHBondContact O-CG 3.43Å; N656-R660 PolarHBondContact O-NH1 3.23Å; Q657-R660 WeakPolarHBondContact O-CB 2.95Å; Q657-R660 PolarHBondContact O-N 3.16Å; M658-R660 VanDerWaalsContact C-N 3.32Å; M658-R660 PolarHBondContact O-N 3.14Å; R660-G662 VanDerWaalsContact C-N 3.35Å
661	E	96.4	Very high	97.4	Very high	78 Å²	78	50.8 Å²	50.8	36%	0.364	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.9	6.8	178.9	-58.5	170.1	167.1	0	0	111.1	R633 Q657 M658 R659	R633-E661 IonicContact CZ-OE1 3.71Å; R633-E661 IonicContact CZ-OE2 3.9Å; R633-E661 IonicContact NE-OE1 2.79Å; R633-E661 IonicContact NE-OE2 2.7Å; R633-E661 PolarHBondContact NE-OE2 3.29Å; R633-E661 IonicContact NH2-OE1 3.77Å; R633-E661 PolarHBondContact NH2-OE1 3.26Å; R633-E661 IonicContact NH2-OE2 2.74Å; R633-E661 PolarHBondContact NH2-OE2 2.86Å; Q657-E661 PolarHBondContact NE2-OE1 2.9Å; Q657-E661 PolarHBondContact O-N 3.29Å; M658-E661 CarbonylContact O-C 3.54Å; M658-E661 WeakPolarHBondContact O-CA 3.33Å; M658-E661 WeakPolarHBondContact O-CB 3.09Å; M658-E661 PolarHBondContact O-N 2.84Å; R659-E661 PolarHBondContact O-N 3.48Å
662	G	96.9	Very high	97.4	Very high	48 Å²	48	47.6 Å²	47.6	50%	0.495	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	103.3	-35.5	175.7	0	0	0	0	0	114	M658 R659 R660 R664	M658-G662 PolarHBondContact O-N 3.3Å; R659-G662 PolarHBondContact NH1-O 3.41Å; R659-G662 VanDerWaalsContact NH1-O 3.09Å; R659-G662 PolarHBondContact O-N 2.93Å; R660-G662 VanDerWaalsContact C-N 3.35Å; G662-R664 PolarHBondContact O-N 2.91Å
663	I	98.3	Very high	97.5	Very high	6 Å²	6	45.8 Å²	45.8	3%	0.031	22%	0.224	C	C	.	.			trans	-50.2	130.7	-172.4	-60.5	172.4	0	0	0	111.8	F622 D626 D629 V630 R633 M658 R659	F622-I663 HydrophobicContact CD1-CG2 3.71Å; F622-I663 HydrophobicContact CE1-CG2 4.11Å; D626-I663 HydrophobicContact CB-CG2 4.2Å; D629-I663 HydrophobicContact CB-CD1 4.1Å; D629-I663 HydrophobicContact CB-CG1 4.21Å; V630-I663 HydrophobicContact CG2-CD1 4.14Å; V630-I663 HydrophobicContact CG2-CG2 3.62Å; R633-I663 HydrophobicContact CB-CD1 4.45Å; M658-I663 HydrophobicContact CB-CB 4.24Å; M658-I663 HydrophobicContact CB-CD1 4.1Å; M658-I663 HydrophobicContact CE-CD1 3.81Å; M658-I663 HydrophobicContact CE-CG2 4.25Å; M658-I663 HydrophobicContact CG-CD1 4.29Å; M658-I663 PolarHBondContact O-N 2.89Å; R659-I663 WeakPolarHBondContact CD-O 3.5Å
664	R	98.5	Very high	97.5	Very high	59 Å²	59	42.8 Å²	42.8	22%	0.223	20%	0.199	C	C	.	.			trans	-93	145.1	174.1	-64.6	160	-75.7	-168.1	-15.6	111.6	G368 A370 H623 E625 D626 G662	G368-R664 WeakPolarHBondContact O-CA 3.3Å; A370-R664 HydrophobicContact CB-CB 4.18Å; H623-R664 HydrophobicContact CB-CB 3.71Å; H623-R664 PolarHBondContact CE1-NH1 3.28Å; H623-R664 PolarHBondContact N-O 3.16Å; H623-R664 VanDerWaalsContact N-O 3.16Å; H623-R664 VanDerWaalsContact ND1-CZ 3.3Å; H623-R664 PolarHBondContact ND1-NH1 3.06Å; H623-R664 PolarHBondContact NE2-NH1 2.94Å; E625-R664 IonicContact OE2-CZ 2.79Å; E625-R664 VanDerWaalsContact OE2-CZ 3.23Å; E625-R664 IonicContact OE2-NH1 3.62Å; E625-R664 PolarHBondContact OE2-NH1 3.28Å; E625-R664 IonicContact OE2-NH2 3.8Å; E625-R664 PolarHBondContact OE2-NH2 2.83Å; D626-R664 IonicContact OD1-CZ 2.91Å; D626-R664 IonicContact OD1-NE 2.79Å; D626-R664 PolarHBondContact OD1-NE 2.95Å; D626-R664 IonicContact OD1-NH2 3.7Å; D626-R664 PolarHBondContact OD1-NH2 2.81Å; D626-R664 VanDerWaalsContact OD2-CB 3.29Å; D626-R664 WeakPolarHBondContact OD2-CB 3.46Å; D626-R664 IonicContact OD2-CZ 3.88Å; D626-R664 PolarHBondContact OD2-N 2.94Å; D626-R664 IonicContact OD2-NE 3.36Å; D626-R664 PolarHBondContact OD2-NE 3.3Å; D626-R664 IonicContact OD2-NH2 3.31Å; G662-R664 PolarHBondContact O-N 2.91Å
665	Y	98.6	Very high	97.6	Very high	2 Å²	2	41.4 Å²	41.4	1%	0.008	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	163.3	169.8	67.6	-92.1	0	0	0	110.7	N367 G368 G369 A370 C621 L655 R659 R667	N367-Y665 WeakPolarHBondContact CB-OH 3.4Å; G368-Y665 CarbonylContact C-O 3.43Å; G368-Y665 VanDerWaalsContact CA-CE1 3.41Å; G368-Y665 WeakPolarHBondContact CA-O 3.21Å; G368-Y665 PolarHBondContact O-N 2.7Å; G368-Y665 VanDerWaalsContact O-N 3.15Å; G369-Y665 PolarHBondContact N-O 3.22Å; A370-Y665 WeakPolarHBondContact CB-O 3.27Å; A370-Y665 PolarHBondContact N-O 2.79Å; A370-Y665 VanDerWaalsContact N-O 3.1Å; C621-Y665 CarbonylContact O-C 3.51Å; C621-Y665 VanDerWaalsContact O-CA 3.23Å; C621-Y665 WeakPolarHBondContact O-CA 3.42Å; C621-Y665 WeakPolarHBondContact O-CB 3.05Å; L655-Y665 HydrophobicContact CB-CD1 4.46Å; L655-Y665 HydrophobicContact CB-CE1 3.8Å; L655-Y665 HydrophobicContact CB-CE2 4.36Å; L655-Y665 HydrophobicContact CD1-CD2 4.21Å; L655-Y665 HydrophobicContact CD1-CE2 3.81Å; L655-Y665 HydrophobicContact CD2-CD1 3.89Å; L655-Y665 HydrophobicContact CD2-CD2 4.02Å; L655-Y665 HydrophobicContact CD2-CE1 4.07Å; L655-Y665 HydrophobicContact CD2-CE2 4.24Å; L655-Y665 HydrophobicContact CD2-CG 3.86Å; L655-Y665 HydrophobicContact CG-CE1 4.39Å; L655-Y665 HydrophobicContact CG-CE2 4.37Å; R659-Y665 HydrophobicContact CB-CE1 4.16Å; Y665-R667 HydrophobicContact CE2-CB 4.43Å
666	A	98.3	Very high	97.6	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	148.1	159.9	0	0	0	0	0	108.9	Q365 A370 V372 I620 C621 I668	Q365-A666 HydrophobicContact CB-CB 3.84Å; Q365-A666 HydrophobicContact CG-CB 4.02Å; A370-A666 HydrophobicContact CB-CB 4.15Å; V372-A666 HydrophobicContact CG2-CB 3.44Å; V372-A666 VanDerWaalsContact CG2-CB 3.44Å; I620-A666 WeakPolarHBondContact CA-O 3.47Å; C621-A666 PolarHBondContact N-O 3.46Å; C621-A666 PolarHBondContact O-N 3.36Å; A666-I668 HydrophobicContact CB-CD1 3.72Å; A666-I668 HydrophobicContact CB-CG1 4.14Å
667	R	97.5	Very high	97.7	Very high	87 Å²	87	38.9 Å²	38.9	33%	0.328	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	118.5	170.5	179.7	179.2	172.9	-158.4	-7.2	108	Q365 D618 V619 I620 E652 Y665	Q365-R667 PolarHBondContact NE2-O 3.41Å; D618-R667 IonicContact OD1-CZ 2.77Å; D618-R667 IonicContact OD1-NE 3.8Å; D618-R667 PolarHBondContact OD1-NE 2.85Å; D618-R667 IonicContact OD1-NH2 2.79Å; D618-R667 PolarHBondContact OD1-NH2 2.84Å; D618-R667 IonicContact OD2-CZ 2.95Å; D618-R667 IonicContact OD2-NE 3.71Å; D618-R667 IonicContact OD2-NH2 3.57Å; D618-R667 PolarHBondContact OD2-NH2 3.34Å; V619-R667 CarbonylContact O-C 3.5Å; V619-R667 WeakPolarHBondContact O-CA 3.48Å; I620-R667 HydrophobicContact CG1-CB 4.29Å; I620-R667 HydrophobicContact CG1-CG 4.11Å; E652-R667 IonicContact OE2-CZ 3.48Å; E652-R667 IonicContact OE2-NH1 3.29Å; E652-R667 PolarHBondContact OE2-NH1 3.04Å; Y665-R667 HydrophobicContact CE2-CB 4.43Å
668	I	96.7	Very high	97.7	Very high	7 Å²	7	35.6 Å²	35.6	4%	0.036	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	146.6	-164.5	-35.4	86	0	0	0	110	V372 L412 I414 V619 A666	V372-I668 HydrophobicContact CG1-CG1 4.45Å; V372-I668 HydrophobicContact CG2-CD1 4.28Å; V372-I668 HydrophobicContact CG2-CG1 3.94Å; L412-I668 HydrophobicContact CD2-CB 4.33Å; L412-I668 HydrophobicContact CD2-CD1 3.79Å; L412-I668 HydrophobicContact CD2-CG1 4.1Å; I414-I668 HydrophobicContact CD1-CG2 3.76Å; V619-I668 PolarHBondContact N-O 3.45Å; V619-I668 PolarHBondContact O-N 2.94Å; A666-I668 HydrophobicContact CB-CD1 3.72Å; A666-I668 HydrophobicContact CB-CG1 4.14Å
669	Q	96.9	Very high	97.7	Very high	99 Å²	99	35.7 Å²	35.7	46%	0.463	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	121	172.6	-71.9	-177.9	-22.5	0	0	109.4	I615 K617	I615-Q669 HydrophobicContact CG2-CB 3.85Å; I615-Q669 HydrophobicContact CG2-CG 4.14Å; K617-Q669 WeakPolarHBondContact O-CA 3.37Å
670	L	97.9	Very high	97.6	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	140.1	172.9	-56.2	177.2	0	0	0	110.2	L412 I414 L601 T616 K617 V619 Y676 F686	L412-L670 HydrophobicContact CD2-CD2 4.21Å; I414-L670 HydrophobicContact CD1-CD2 3.41Å; I414-L670 VanDerWaalsContact CD1-CD2 3.41Å; I414-L670 HydrophobicContact CG1-CD2 3.74Å; I414-L670 HydrophobicContact CG2-CD2 4.2Å; L601-L670 HydrophobicContact CD1-CB 3.52Å; L601-L670 HydrophobicContact CD1-CD1 3.97Å; L601-L670 HydrophobicContact CD1-CG 4.39Å; T616-L670 PolarHBondContact N-O 2.98Å; T616-L670 PolarHBondContact OG1-O 3.14Å; K617-L670 HydrophobicContact CB-CB 4.38Å; K617-L670 PolarHBondContact N-O 3.04Å; K617-L670 VanDerWaalsContact N-O 3.15Å; K617-L670 PolarHBondContact O-N 3.33Å; V619-L670 HydrophobicContact CG2-CD1 3.65Å; V619-L670 HydrophobicContact CG2-CG 3.78Å; L670-Y676 HydrophobicContact CD1-CD1 3.69Å; L670-Y676 HydrophobicContact CD1-CD2 4.44Å; L670-Y676 HydrophobicContact CD1-CE1 4.06Å; L670-Y676 HydrophobicContact CD1-CG 3.88Å; L670-F686 HydrophobicContact CD1-CE1 4.18Å
671	C	96.2	Very high	97.6	Very high	20 Å²	20	25.7 Å²	25.7	14%	0.135	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	173.5	-172.2	-66.4	0	0	0	0	113.1	P613 R614 D674	P613-C671 HydrophobicContact CB-CB 4.19Å; R614-C671 CarbonylContact O-C 3.59Å; R614-C671 WeakPolarHBondContact O-CA 3.49Å; C671-D674 PolarHBondContact N-OD2 2.96Å; C671-D674 WeakPolarHBondContact O-CB 3.25Å; C671-D674 PolarHBondContact O-N 3.19Å
672	D	96.2	Very high	97.7	Very high	12 Å²	12	22.1 Å²	22.1	6%	0.064	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	136.8	164.5	-174.4	31.1	0	0	0	110.8	K602 A603 Q605 R614 D674	K602-D672 WeakPolarHBondContact CA-OD1 3.22Å; A603-D672 HydrophobicContact CB-CB 3.75Å; A603-D672 PolarHBondContact N-OD1 3.27Å; Q605-D672 PolarHBondContact NE2-OD2 3.39Å; R614-D672 HydrophobicContact CB-CB 4.33Å; R614-D672 PolarHBondContact O-N 2.92Å; D672-D674 PolarHBondContact O-N 3.22Å
673	N	97.1	Very high	97.7	Very high	29 Å²	29	19.8 Å²	19.8	16%	0.155	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.7	7.9	-177.6	-46	-76.3	0	0	0	115.7	G417 A418 A419 A420 L601 K602	G417-N673 CarbonylContact C-O 3.49Å; G417-N673 VanDerWaalsContact CA-O 3.23Å; G417-N673 WeakPolarHBondContact CA-O 3.32Å; G417-N673 PolarHBondContact N-O 3.5Å; A418-N673 PolarHBondContact N-O 3.4Å; A418-N673 VanDerWaalsContact N-O 3.07Å; A419-N673 WeakPolarHBondContact CB-O 3.46Å; A419-N673 PolarHBondContact N-O 3.2Å; A420-N673 WeakPolarHBondContact CA-OD1 3.4Å; A420-N673 HydrophobicContact CB-CB 4.2Å; L601-N673 VanDerWaalsContact O-CA 3.3Å; L601-N673 WeakPolarHBondContact O-CA 3.47Å; L601-N673 PolarHBondContact O-N 3.03Å; K602-N673 PolarHBondContact NZ-OD1 3Å
674	D	98.5	Very high	97.7	Very high	3 Å²	3	19.7 Å²	19.7	2%	0.016	9%	0.089	C	C	.	.			trans	-74.5	140	173.6	-73.2	-2.7	0	0	0	111.9	I414 H416 G417 L601 C671 D672	I414-D674 HydrophobicContact CG2-CB 4.16Å; H416-D674 VanDerWaalsContact CA-OD1 3.23Å; H416-D674 WeakPolarHBondContact CA-OD1 3.47Å; H416-D674 IonicContact CE1-OD2 3.09Å; H416-D674 IonicContact CG-OD1 3.61Å; H416-D674 VanDerWaalsContact ND1-CG 3.28Å; H416-D674 IonicContact ND1-OD1 3.42Å; H416-D674 PolarHBondContact ND1-OD1 3.18Å; H416-D674 VanDerWaalsContact ND1-OD1 3.11Å; H416-D674 IonicContact ND1-OD2 3.19Å; H416-D674 PolarHBondContact ND1-OD2 3.44Å; G417-D674 PolarHBondContact N-OD1 3.2Å; L601-D674 PolarHBondContact N-O 3.24Å; C671-D674 PolarHBondContact N-OD2 2.96Å; C671-D674 WeakPolarHBondContact O-CB 3.25Å; C671-D674 PolarHBondContact O-N 3.19Å; D672-D674 PolarHBondContact O-N 3.22Å
675	I	98.8	Very high	97.7	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	132	163.2	-57.2	176.8	0	0	0	107.4	I414 V415 A418 A419 L504 G599 V600 F677	I414-I675 WeakPolarHBondContact CA-O 3.5Å; V415-I675 PolarHBondContact N-O 3.25Å; V415-I675 PolarHBondContact O-N 2.67Å; A418-I675 HydrophobicContact CB-CB 4.48Å; A418-I675 HydrophobicContact CB-CD1 3.6Å; A418-I675 HydrophobicContact CB-CG1 3.98Å; A419-I675 HydrophobicContact CB-CD1 4.36Å; A419-I675 HydrophobicContact CB-CG1 3.92Å; L504-I675 HydrophobicContact CD1-CD1 4.11Å; L504-I675 HydrophobicContact CD2-CD1 3.94Å; L504-I675 HydrophobicContact CD2-CG1 4.48Å; L504-I675 HydrophobicContact CD2-CG2 3.61Å; L504-I675 HydrophobicContact CG-CD1 3.98Å; G599-I675 WeakPolarHBondContact O-CA 3.29Å; V600-I675 HydrophobicContact CG1-CG1 4.34Å; V600-I675 HydrophobicContact CG2-CG1 4.4Å; V600-I675 HydrophobicContact CG2-CG2 4.5Å; I675-F677 HydrophobicContact CG2-CE1 4.22Å; I675-F677 HydrophobicContact CG2-CE2 3.78Å; I675-F677 HydrophobicContact CG2-CZ 3.47Å; I675-F677 VanDerWaalsContact CG2-CZ 3.47Å
676	Y	98.8	Very high	97.6	Very high	6 Å²	6	17.6 Å²	17.6	2%	0.024	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	151	-178.9	68.3	-91	0	0	0	113	L412 A413 V598 G599 L601 L670 I678 F686	L412-Y676 HydrophobicContact CD1-CD2 4.26Å; A413-Y676 CarbonylContact O-C 3.55Å; A413-Y676 VanDerWaalsContact O-CA 3.3Å; A413-Y676 WeakPolarHBondContact O-CA 3.49Å; V598-Y676 WeakPolarHBondContact CA-O 3.26Å; G599-Y676 PolarHBondContact N-O 3.22Å; G599-Y676 WeakPolarHBondContact O-CD1 3.46Å; G599-Y676 PolarHBondContact O-N 3.18Å; L601-Y676 HydrophobicContact CD1-CD1 4.24Å; L601-Y676 HydrophobicContact CD1-CE1 4.1Å; L601-Y676 HydrophobicContact CD2-CE1 3.82Å; L601-Y676 HydrophobicContact CG-CD1 4.17Å; L601-Y676 HydrophobicContact CG-CE1 3.84Å; L670-Y676 HydrophobicContact CD1-CD1 3.69Å; L670-Y676 HydrophobicContact CD1-CD2 4.44Å; L670-Y676 HydrophobicContact CD1-CE1 4.06Å; L670-Y676 HydrophobicContact CD1-CG 3.88Å; Y676-I678 HydrophobicContact CD2-CD1 4.18Å; Y676-I678 HydrophobicContact CD2-CG1 4.16Å; Y676-I678 HydrophobicContact CE2-CD1 3.94Å; Y676-I678 HydrophobicContact CE2-CG1 4.39Å; Y676-F686 HydrophobicContact CE2-CE1 4.26Å; Y676-F686 AromaticContact CE2-CZ 3.67Å; Y676-F686 HydrophobicContact CE2-CZ 3.67Å; Y676-F686 AromaticContact CZ-CZ 3.8Å
677	F	98.8	Very high	97.6	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	128.9	-175.8	-51.4	-89.4	0	0	0	109.9	F395 L396 T399 F400 L412 A413 V415 F503 T507 V598 I675	F395-F677 HydrophobicContact CE1-CD2 4.43Å; F395-F677 HydrophobicContact CE1-CE2 4.42Å; L396-F677 HydrophobicContact CD2-CD1 3.93Å; L396-F677 HydrophobicContact CD2-CD2 4.47Å; L396-F677 HydrophobicContact CD2-CE1 3.73Å; L396-F677 HydrophobicContact CD2-CE2 4.3Å; L396-F677 HydrophobicContact CD2-CG 4.32Å; L396-F677 HydrophobicContact CD2-CZ 3.94Å; T399-F677 HydrophobicContact CG2-CB 3.6Å; T399-F677 HydrophobicContact CG2-CG 4.21Å; F400-F677 HydrophobicContact CE1-CB 4.27Å; F400-F677 HydrophobicContact CZ-CB 4.06Å; F400-F677 HydrophobicContact CZ-CD1 4.07Å; F400-F677 HydrophobicContact CZ-CG 4.43Å; L412-F677 WeakPolarHBondContact CD1-O 3.34Å; A413-F677 HydrophobicContact CB-CB 4.34Å; A413-F677 HydrophobicContact CB-CD2 4.37Å; A413-F677 PolarHBondContact N-O 2.84Å; A413-F677 PolarHBondContact O-N 2.85Å; V415-F677 HydrophobicContact CG2-CE2 4.14Å; F503-F677 HydrophobicContact CB-CZ 3.98Å; T507-F677 HydrophobicContact CG2-CD1 4.42Å; T507-F677 HydrophobicContact CG2-CE1 4.06Å; V598-F677 HydrophobicContact CB-CD1 4.38Å; V598-F677 HydrophobicContact CG1-CD1 3.79Å; V598-F677 HydrophobicContact CG1-CE1 3.61Å; V598-F677 HydrophobicContact CG1-CZ 4.47Å; V598-F677 HydrophobicContact CG2-CD1 3.96Å; V598-F677 HydrophobicContact CG2-CE1 4.33Å; I675-F677 HydrophobicContact CG2-CE1 4.22Å; I675-F677 HydrophobicContact CG2-CE2 3.78Å; I675-F677 HydrophobicContact CG2-CZ 3.47Å; I675-F677 VanDerWaalsContact CG2-CZ 3.47Å
678	I	98.6	Very high	97.7	Very high	4 Å²	4	16.1 Å²	16.1	2%	0.021	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	111	180	-63	176.5	0	0	0	107.1	L412 A596 A597 Y676 V682 F686	L412-I678 HydrophobicContact CD1-CD1 4.41Å; L412-I678 HydrophobicContact CD1-CG1 3.61Å; A596-I678 CarbonylContact C-O 3.51Å; A596-I678 WeakPolarHBondContact CA-O 3.45Å; A596-I678 WeakPolarHBondContact CB-O 3.25Å; A597-I678 HydrophobicContact CB-CB 4.37Å; A597-I678 PolarHBondContact N-O 2.55Å; A597-I678 PolarHBondContact O-N 2.9Å; Y676-I678 HydrophobicContact CD2-CD1 4.18Å; Y676-I678 HydrophobicContact CD2-CG1 4.16Å; Y676-I678 HydrophobicContact CE2-CD1 3.94Å; Y676-I678 HydrophobicContact CE2-CG1 4.39Å; I678-V682 HydrophobicContact CG2-CB 3.79Å; I678-V682 HydrophobicContact CG2-CG1 3.88Å; I678-F686 HydrophobicContact CD1-CE2 4.37Å; I678-F686 HydrophobicContact CD1-CZ 4.04Å
679	P	98.1	Very high	97.7	Very high	1 Å²	1	18 Å²	18	1%	0.006	9%	0.09	C	C	.	.			trans	-63.8	161.4	172.9	-24.9	36.7	0	0	0	112.9	T399 F400 A408 V682	T399-P679 WeakPolarHBondContact O-CG 3.44Å; F400-P679 HydrophobicContact CD1-CB 4.24Å; F400-P679 HydrophobicContact CD1-CG 4.13Å; A408-P679 HydrophobicContact CB-CB 3.4Å; A408-P679 VanDerWaalsContact CB-CB 3.4Å; A408-P679 HydrophobicContact CB-CG 3.9Å; P679-V682 HydrophobicContact CB-CG2 4.32Å; P679-V682 WeakPolarHBondContact O-CB 3.42Å; P679-V682 WeakPolarHBondContact O-CG2 3.31Å; P679-V682 PolarHBondContact O-N 2.88Å
680	R	96	Very high	97.7	Very high	39 Å²	39	13.9 Å²	13.9	15%	0.147	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	158.4	174.6	73.1	175.5	171	-179.9	-4.8	112.3	E402 S594 T595 V682 Y704	E402-R680 WeakPolarHBondContact OE1-CG 3.3Å; E402-R680 IonicContact OE1-CZ 2.75Å; E402-R680 IonicContact OE1-NE 3.21Å; E402-R680 PolarHBondContact OE1-NE 2.93Å; E402-R680 IonicContact OE1-NH2 3.92Å; E402-R680 PolarHBondContact OE1-NH2 2.88Å; E402-R680 IonicContact OE2-CZ 3.43Å; E402-R680 IonicContact OE2-NE 3.73Å; E402-R680 IonicContact OE2-NH2 2.68Å; E402-R680 PolarHBondContact OE2-NH2 3.16Å; S594-R680 WeakPolarHBondContact O-CB 3.45Å; T595-R680 WeakPolarHBondContact O-CA 3.46Å; R680-V682 PolarHBondContact O-N 2.92Å; R680-V682 VanDerWaalsContact O-N 3.13Å; R680-Y704 HydrophobicContact CB-CD2 4.46Å; R680-Y704 HydrophobicContact CB-CE2 3.75Å; R680-Y704 HydrophobicContact CG-CD2 4.23Å; R680-Y704 HydrophobicContact CG-CE1 4.04Å; R680-Y704 HydrophobicContact CG-CE2 3.67Å; R680-Y704 PolarHBondContact N-OH 2.94Å; R680-Y704 PolarHBondContact NH1-O 2.66Å
681	N	95.9	Very high	97.7	Very high	39 Å²	39	13.9 Å²	13.9	21%	0.209	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.4	9.4	-176.7	-52.6	-35.9	0	0	0	114.4	S594 A624 F627 I683	S594-N681 WeakPolarHBondContact CB-OD1 3.33Å; S594-N681 PolarHBondContact OG-N 3.33Å; A624-N681 HydrophobicContact CB-CB 4.22Å; F627-N681 HydrophobicContact CB-CB 4.29Å; F627-N681 HydrophobicContact CD2-CB 4.08Å; F627-N681 WeakPolarHBondContact CD2-O 3.42Å; F627-N681 HydrophobicContact CG-CB 4.15Å; N681-I683 PolarHBondContact O-N 2.7Å
682	V	98	Very high	97.8	Very high	3 Å²	3	12.9 Å²	12.9	2%	0.018	7%	0.065	C	C	.	.			trans	-87	104.3	169.9	174.5	0	0	0	0	109.9	A411 C621 A624 I678 P679 R680 H684	A411-V682 VanDerWaalsContact O-CG1 3.3Å; A411-V682 WeakPolarHBondContact O-CG1 3.39Å; C621-V682 HydrophobicContact CB-CG1 3.83Å; A624-V682 HydrophobicContact CB-CG2 4.27Å; I678-V682 HydrophobicContact CG2-CB 3.79Å; I678-V682 HydrophobicContact CG2-CG1 3.88Å; P679-V682 HydrophobicContact CB-CG2 4.32Å; P679-V682 WeakPolarHBondContact O-CB 3.42Å; P679-V682 WeakPolarHBondContact O-CG2 3.31Å; P679-V682 PolarHBondContact O-N 2.88Å; R680-V682 PolarHBondContact O-N 2.92Å; R680-V682 VanDerWaalsContact O-N 3.13Å; V682-H684 HydrophobicContact CG1-CB 4.34Å; V682-H684 PolarHBondContact O-ND1 2.85Å; V682-H684 VanDerWaalsContact O-ND1 3.11Å
683	I	98.3	Very high	97.9	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	6%	0.062	C	C	.	.			trans	-72.6	130.2	167.2	-68.4	155.9	0	0	0	108.5	A581 H582 A583 F622 F627 V630 V631 L636 N681	A581-I683 HydrophobicContact CB-CG2 4.13Å; H582-I683 CarbonylContact O-C 3.56Å; H582-I683 VanDerWaalsContact O-CA 3.26Å; H582-I683 WeakPolarHBondContact O-CA 3.48Å; A583-I683 HydrophobicContact CB-CG1 3.77Å; F622-I683 HydrophobicContact CB-CB 4.47Å; F622-I683 HydrophobicContact CD2-CB 4.18Å; F622-I683 HydrophobicContact CD2-CG2 3.91Å; F622-I683 WeakPolarHBondContact CD2-O 3.37Å; F622-I683 HydrophobicContact CE2-CG2 4.45Å; F622-I683 PolarHBondContact N-O 2.88Å; F627-I683 HydrophobicContact CD2-CD1 3.44Å; F627-I683 VanDerWaalsContact CD2-CD1 3.44Å; F627-I683 HydrophobicContact CD2-CG1 3.66Å; F627-I683 HydrophobicContact CE2-CD1 3.77Å; F627-I683 HydrophobicContact CE2-CG1 3.78Å; F627-I683 HydrophobicContact CG-CD1 4.2Å; V630-I683 HydrophobicContact CB-CD1 3.8Å; V630-I683 HydrophobicContact CG1-CB 4.1Å; V630-I683 HydrophobicContact CG1-CD1 3.63Å; V630-I683 HydrophobicContact CG1-CG1 4.46Å; V630-I683 HydrophobicContact CG1-CG2 3.83Å; V631-I683 HydrophobicContact CG2-CD1 3.77Å; L636-I683 HydrophobicContact CD1-CD1 3.64Å; L636-I683 HydrophobicContact CD1-CG1 3.92Å; L636-I683 HydrophobicContact CD1-CG2 3.91Å; N681-I683 PolarHBondContact O-N 2.7Å
684	H	98.3	Very high	98	Very high	3 Å²	3	11 Å²	11	1%	0.014	6%	0.055	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	159.2	-173.6	65.2	-86.4	0	0	0	113.1	A581 H582 D584 I620 C621 V682 F686	A581-H684 CarbonylContact C-O 3.53Å; A581-H684 VanDerWaalsContact CA-O 3.28Å; A581-H684 WeakPolarHBondContact CA-O 3.49Å; H582-H684 AromaticContact CD2-CE1 3.96Å; H582-H684 AromaticContact CD2-NE2 3.85Å; H582-H684 AromaticContact CE1-CD2 3.89Å; H582-H684 AromaticContact CE1-NE2 3.62Å; H582-H684 PolarHBondContact N-O 3Å; H582-H684 PolarHBondContact ND1-O 2.82Å; H582-H684 AromaticContact NE2-CD2 3.99Å; H582-H684 AromaticContact NE2-CE1 3.83Å; H582-H684 AromaticContact NE2-NE2 3.25Å; H582-H684 PolarHBondContact NE2-NE2 2.87Å; H582-H684 PolarHBondContact O-N 3.02Å; D584-H684 IonicContact OD2-CE1 2.69Å; D584-H684 PolarHBondContact OD2-CE1 2.9Å; D584-H684 VanDerWaalsContact OD2-CE1 3.31Å; D584-H684 IonicContact OD2-NE2 3.23Å; I620-H684 CarbonylContact O-C 3.57Å; I620-H684 WeakPolarHBondContact O-CA 3.42Å; I620-H684 WeakPolarHBondContact O-CB 3.29Å; C621-H684 HydrophobicContact CB-CB 4.39Å; V682-H684 HydrophobicContact CG1-CB 4.34Å; V682-H684 PolarHBondContact O-ND1 2.85Å; V682-H684 VanDerWaalsContact O-ND1 3.11Å; H684-F686 AromaticContact CD2-CD2 3.85Å; H684-F686 AromaticContact CD2-CE2 3.33Å; H684-F686 WeakPolarHBondContact CD2-CE2 3.28Å; H684-F686 AromaticContact NE2-CE2 3.54Å
685	Q	97.8	Very high	98	Very high	1 Å²	1	10.8 Å²	10.8	1%	0.005	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	132.8	-173.3	-176.6	-177.8	-101.9	0	0	109.9	T579 A581 V619 I620 W649 V650	T579-Q685 VanDerWaalsContact O-CG 3.24Å; T579-Q685 WeakPolarHBondContact O-CG 3.15Å; A581-Q685 HydrophobicContact CB-CB 4.42Å; V619-Q685 WeakPolarHBondContact CA-O 3.41Å; I620-Q685 HydrophobicContact CB-CB 4.36Å; I620-Q685 PolarHBondContact N-O 3.26Å; I620-Q685 PolarHBondContact O-N 2.85Å; W649-Q685 HydrophobicContact CE3-CG 3.95Å; W649-Q685 VanDerWaalsContact CE3-OE1 3.24Å; W649-Q685 HydrophobicContact CH2-CG 3.63Å; W649-Q685 HydrophobicContact CZ2-CG 4.48Å; W649-Q685 HydrophobicContact CZ3-CG 3.31Å; V650-Q685 PolarHBondContact O-NE2 3.25Å
686	F	97.9	Very high	97.9	Very high	17 Å²	17	11.6 Å²	11.6	8%	0.075	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	131.5	-178.6	-73.6	-77	0	0	0	112.3	R578 T579 K617 V619 L670 Y676 I678 H684	R578-F686 WeakPolarHBondContact CA-O 2.96Å; T579-F686 PolarHBondContact N-O 3.4Å; T579-F686 PolarHBondContact O-N 2.9Å; T579-F686 VanDerWaalsContact O-O 3.09Å; K617-F686 HydrophobicContact CB-CD1 4.36Å; K617-F686 HydrophobicContact CD-CD1 3.56Å; K617-F686 HydrophobicContact CD-CE1 3.93Å; K617-F686 HydrophobicContact CD-CG 4.41Å; V619-F686 HydrophobicContact CB-CD1 4.29Å; V619-F686 HydrophobicContact CB-CE1 4.34Å; V619-F686 HydrophobicContact CG1-CD1 3.81Å; V619-F686 HydrophobicContact CG1-CE1 3.65Å; V619-F686 HydrophobicContact CG1-CZ 4.26Å; V619-F686 HydrophobicContact CG2-CD1 3.61Å; V619-F686 HydrophobicContact CG2-CE1 3.69Å; L670-F686 HydrophobicContact CD1-CE1 4.18Å; Y676-F686 HydrophobicContact CE2-CE1 4.26Å; Y676-F686 AromaticContact CE2-CZ 3.67Å; Y676-F686 HydrophobicContact CE2-CZ 3.67Å; Y676-F686 AromaticContact CZ-CZ 3.8Å; I678-F686 HydrophobicContact CD1-CE2 4.37Å; I678-F686 HydrophobicContact CD1-CZ 4.04Å; H684-F686 AromaticContact CD2-CD2 3.85Å; H684-F686 AromaticContact CD2-CE2 3.33Å; H684-F686 WeakPolarHBondContact CD2-CE2 3.28Å; H684-F686 AromaticContact NE2-CE2 3.54Å
687	K	98.1	Very high	97.9	Very high	48 Å²	48	11.6 Å²	11.6	21%	0.209	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	125.2	161.4	177.6	-178.9	-177.3	170.3	0	109.6	E536 R578 K617 D618 W649 V689	E536-K687 WeakPolarHBondContact OE1-CE 3.2Å; E536-K687 IonicContact OE1-NZ 2.7Å; E536-K687 PolarHBondContact OE1-NZ 2.94Å; E536-K687 WeakPolarHBondContact OE2-CE 3.5Å; E536-K687 IonicContact OE2-NZ 3.49Å; R578-K687 HydrophobicContact CG-CG 4.37Å; K617-K687 CarbonylContact C-O 3.59Å; K617-K687 VanDerWaalsContact CA-O 3.24Å; K617-K687 WeakPolarHBondContact CA-O 3.45Å; D618-K687 HydrophobicContact CB-CB 4.26Å; D618-K687 PolarHBondContact N-O 2.92Å; D618-K687 WeakPolarHBondContact O-CB 3.41Å; D618-K687 PolarHBondContact O-N 3.18Å; W649-K687 HydrophobicContact CH2-CB 3.93Å; W649-K687 HydrophobicContact CZ2-CB 4.22Å; K687-V689 HydrophobicContact CD-CG1 4.06Å; K687-V689 HydrophobicContact CG-CG1 4.09Å
688	T	98.3	Very high	97.8	Very high	7 Å²	7	13.9 Å²	13.9	4%	0.043	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	118.2	169.7	-42.2	0	0	0	0	109.3	R533 E536 D577 S690 V692	R533-T688 HydrophobicContact CB-CG2 3.76Å; E536-T688 PolarHBondContact N-O 2.79Å; D577-T688 VanDerWaalsContact CG-OG1 3.31Å; D577-T688 PolarHBondContact O-N 3.42Å; D577-T688 WeakPolarHBondContact OD1-CB 3.1Å; D577-T688 PolarHBondContact OD1-OG1 3.04Å; T688-S690 VanDerWaalsContact CG2-O 3.25Å; T688-S690 WeakPolarHBondContact CG2-O 3.28Å; T688-V692 HydrophobicContact CG2-CG1 3.72Å
689	V	97.4	Very high	97.6	Very high	48 Å²	48	13.7 Å²	13.7	29%	0.291	7%	0.07	S	C	.	.			trans	-102.1	-21.5	179.5	-61.6	0	0	0	0	113.5	I615 T616 D618 K687	I615-V689 HydrophobicContact CB-CG2 4.46Å; I615-V689 HydrophobicContact CG2-CG2 3.79Å; T616-V689 WeakPolarHBondContact O-CG2 3.46Å; T616-V689 PolarHBondContact O-N 3.25Å; D618-V689 HydrophobicContact CB-CG1 3.84Å; K687-V689 HydrophobicContact CD-CG1 4.06Å; K687-V689 HydrophobicContact CG-CG1 4.09Å
690	S	97.1	Very high	97.5	Very high	11 Å²	11	16.4 Å²	16.4	8%	0.077	8%	0.081	C	C	.	.	S	Bend	trans	-144.5	154.4	174.4	-146.9	0	0	0	0	109.7	G467 R614 I615 T616 T688 V692	G467-S690 PolarHBondContact O-OG 2.91Å; R614-S690 WeakPolarHBondContact CD-OG 3.38Å; I615-S690 VanDerWaalsContact O-CB 3.28Å; I615-S690 WeakPolarHBondContact O-CB 3.34Å; T616-S690 PolarHBondContact O-N 3.29Å; T688-S690 VanDerWaalsContact CG2-O 3.25Å; T688-S690 WeakPolarHBondContact CG2-O 3.28Å; S690-V692 PolarHBondContact O-N 2.81Å
691	A	97.5	Very high	97.4	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.075	C	C	.	.			trans	-57	129.9	-177.8	0	0	0	0	0	112.6	Y464 G467 Y469 R533 V604	Y464-A691 HydrophobicContact CE2-CB 4.46Å; G467-A691 WeakPolarHBondContact O-CB 3.45Å; G467-A691 PolarHBondContact O-N 3.05Å; Y469-A691 HydrophobicContact CD1-CB 3.58Å; Y469-A691 HydrophobicContact CE1-CB 3.85Å; R533-A691 WeakPolarHBondContact O-CA 3.04Å; V604-A691 HydrophobicContact CB-CB 3.96Å; V604-A691 HydrophobicContact CG2-CB 4.22Å; V604-A691 PolarHBondContact N-O 3.39Å
692	V	98.1	Very high	97.3	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	137.4	-169	64.8	0	0	0	0	111.5	V532 R533 L601 K602 T616 T688 S690	V532-V692 WeakPolarHBondContact CA-O 3.48Å; R533-V692 HydrophobicContact CB-CG1 4.37Å; R533-V692 PolarHBondContact N-O 2.85Å; R533-V692 PolarHBondContact O-N 3.22Å; R533-V692 VanDerWaalsContact O-N 3.08Å; L601-V692 HydrophobicContact CB-CG2 4.23Å; L601-V692 HydrophobicContact CD2-CG2 4.16Å; K602-V692 WeakPolarHBondContact O-CG2 3.16Å; T616-V692 HydrophobicContact CG2-CB 3.91Å; T616-V692 HydrophobicContact CG2-CG2 3.74Å; T688-V692 HydrophobicContact CG2-CG1 3.72Å; S690-V692 PolarHBondContact O-N 2.81Å
693	C	98.3	Very high	96.9	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	125.6	161.7	-56.9	0	0	0	0	107.9	F425 W531 V532 K602	F425-C693 HydrophobicContact CB-CB 3.97Å; F425-C693 HydrophobicContact CD2-CB 3.69Å; F425-C693 HydrophobicContact CG-CB 4.26Å; W531-C693 WeakPolarHBondContact O-CA 3.36Å; V532-C693 HydrophobicContact CG2-CB 4.4Å; K602-C693 PolarHBondContact N-O 2.71Å; K602-C693 PolarHBondContact O-N 3.39Å
694	S	98.6	Very high	96.3	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	136.7	176.2	-59.2	0	0	0	0	109.9	M530 W531 V600 K617	M530-S694 WeakPolarHBondContact CA-O 3.07Å; W531-S694 PolarHBondContact N-O 3.24Å; W531-S694 PolarHBondContact O-N 3.12Å; V600-S694 WeakPolarHBondContact O-CA 3.46Å; K617-S694 VanDerWaalsContact CE-OG 3.24Å; K617-S694 WeakPolarHBondContact CE-OG 3.27Å; K617-S694 PolarHBondContact NZ-OG 3.44Å
695	L	98.5	Very high	95.3	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	149	154.7	-56.7	173.9	0	0	0	109	F425 L479 F494 L498 I529 M530 G599 V600 W697	F425-L695 HydrophobicContact CD2-CD2 4.44Å; F425-L695 HydrophobicContact CD2-CG 4.09Å; F425-L695 HydrophobicContact CE1-CD1 4.15Å; F425-L695 HydrophobicContact CE2-CD1 3.78Å; F425-L695 HydrophobicContact CE2-CD2 4.37Å; F425-L695 HydrophobicContact CE2-CG 3.56Å; F425-L695 HydrophobicContact CZ-CD1 3.55Å; F425-L695 HydrophobicContact CZ-CG 3.9Å; L479-L695 HydrophobicContact CD1-CD2 3.6Å; F494-L695 HydrophobicContact CE1-CD1 3.87Å; F494-L695 HydrophobicContact CE1-CD2 4.25Å; F494-L695 HydrophobicContact CZ-CD1 4.04Å; L498-L695 HydrophobicContact CD1-CD1 4.14Å; L498-L695 HydrophobicContact CD2-CD1 3.66Å; I529-L695 VanDerWaalsContact O-CA 3.29Å; I529-L695 WeakPolarHBondContact O-CA 3.27Å; M530-L695 HydrophobicContact CB-CD2 3.58Å; M530-L695 HydrophobicContact CG-CD2 3.71Å; M530-L695 HydrophobicContact SD-CD2 4.35Å; G599-L695 WeakPolarHBondContact CA-O 3.23Å; V600-L695 HydrophobicContact CB-CB 4.14Å; V600-L695 HydrophobicContact CB-CD1 4.31Å; V600-L695 PolarHBondContact N-O 2.97Å; V600-L695 PolarHBondContact O-N 3.42Å; L695-W697 HydrophobicContact CB-CZ3 4.23Å
696	A	98.1	Very high	93.5	Very high	17 Å²	17	31.2 Å²	31.2	14%	0.14	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	162.4	160	0	0	0	0	0	112.5	P528 I529 W531 V598	P528-A696 WeakPolarHBondContact CA-O 3.23Å; I529-A696 WeakPolarHBondContact CG1-O 3.47Å; I529-A696 PolarHBondContact N-O 2.99Å; I529-A696 PolarHBondContact O-N 3.23Å; W531-A696 HydrophobicContact CH2-CB 3.59Å; W531-A696 HydrophobicContact CZ3-CB 3.71Å; V598-A696 WeakPolarHBondContact O-CA 3.32Å; V598-A696 WeakPolarHBondContact O-CB 3.1Å
697	W	98	Very high	91	Very high	5 Å²	5	36 Å²	36	2%	0.019	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	161.8	169.8	54	92.9	0	0	0	110.6	L498 L504 T507 L508 P509 D526 P528 A597 V598 V600 L695	L498-W697 HydrophobicContact CD1-CZ3 4.34Å; L504-W697 HydrophobicContact CB-CH2 4.47Å; L504-W697 HydrophobicContact CB-CZ2 4.37Å; L504-W697 HydrophobicContact CD1-CH2 4.28Å; L504-W697 HydrophobicContact CD2-CH2 3.77Å; L504-W697 HydrophobicContact CD2-CZ2 3.82Å; L504-W697 HydrophobicContact CG-CH2 4.38Å; T507-W697 PolarHBondContact O-NE1 3.24Å; L508-W697 HydrophobicContact CD2-CD2 4.08Å; L508-W697 HydrophobicContact CD2-CE3 4.37Å; L508-W697 HydrophobicContact CD2-CH2 4.02Å; L508-W697 HydrophobicContact CD2-CZ2 3.71Å; L508-W697 HydrophobicContact CD2-CZ3 4.35Å; L508-W697 HydrophobicContact CG-CZ2 3.97Å; P509-W697 HydrophobicContact CG-CB 4.16Å; P509-W697 HydrophobicContact CG-CG 4.35Å; D526-W697 CarbonylContact O-C 3.18Å; D526-W697 WeakPolarHBondContact O-CA 3.41Å; D526-W697 WeakPolarHBondContact O-CB 3.14Å; P528-W697 HydrophobicContact CB-CD2 4.49Å; P528-W697 HydrophobicContact CB-CE3 3.71Å; P528-W697 HydrophobicContact CB-CZ3 4.26Å; P528-W697 HydrophobicContact CG-CB 4.46Å; P528-W697 HydrophobicContact CG-CD2 4.05Å; P528-W697 HydrophobicContact CG-CE3 3.6Å; P528-W697 HydrophobicContact CG-CG 4.45Å; P528-W697 HydrophobicContact CG-CZ3 4.09Å; A597-W697 WeakPolarHBondContact CA-O 3.36Å; V598-W697 HydrophobicContact CB-CD2 4.22Å; V598-W697 HydrophobicContact CB-CG 4.49Å; V598-W697 HydrophobicContact CB-CZ2 4.06Å; V598-W697 HydrophobicContact CG1-CH2 4.37Å; V598-W697 HydrophobicContact CG1-CZ2 3.74Å; V598-W697 PolarHBondContact N-O 2.75Å; V598-W697 PolarHBondContact O-N 3.43Å; V598-W697 VanDerWaalsContact O-N 3.07Å; V600-W697 HydrophobicContact CG2-CH2 3.98Å; V600-W697 HydrophobicContact CG2-CZ3 4.16Å; L695-W697 HydrophobicContact CB-CZ3 4.23Å
698	H	96.8	Very high	88.3	Confident	48 Å²	48	40 Å²	40	22%	0.222	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	154	168.5	-57.8	143.2	0	0	0	111.1	D526 V586 T595 A596	D526-H698 HydrophobicContact CB-CB 4.03Å; D526-H698 PolarHBondContact O-N 3.21Å; V586-H698 HydrophobicContact CG1-CB 4.23Å; T595-H698 HydrophobicContact CG2-CB 3.73Å; A596-H698 CarbonylContact O-C 3.02Å; A596-H698 WeakPolarHBondContact O-CA 3.35Å
699	I	95.5	Very high	85.3	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	116.8	168.1	178.6	165.6	0	0	0	111.7	T507 L513 T595 A596 V598 L701	T507-I699 WeakPolarHBondContact O-CD1 3.16Å; L513-I699 HydrophobicContact CB-CD1 4.07Å; T595-I699 PolarHBondContact OG1-O 2.8Å; A596-I699 HydrophobicContact CB-CG2 3.9Å; A596-I699 PolarHBondContact O-N 2.79Å; V598-I699 HydrophobicContact CG2-CG2 3.97Å; I699-L701 HydrophobicContact CD1-CD2 3.61Å; I699-L701 HydrophobicContact CD1-CG 4.33Å; I699-L701 HydrophobicContact CG1-CD2 3.88Å; I699-L701 HydrophobicContact CG1-CG 4.04Å; I699-L701 HydrophobicContact CG2-CD2 4.46Å; I699-L701 HydrophobicContact CG2-CG 4.29Å; I699-L701 PolarHBondContact O-N 3.15Å
700	R	94.6	Very high	82.2	Confident	59 Å²	59	48.6 Å²	48.6	22%	0.223	26%	0.263	C	S	.	.			trans	-79.5	81.8	173.5	-47.3	-173.2	-162.5	-169.7	2.9	108.8	S515 L516 D526 V586 K702	S515-R700 WeakPolarHBondContact CB-O 3.34Å; S515-R700 PolarHBondContact N-O 3.29Å; S515-R700 WeakPolarHBondContact OG-CB 3.41Å; S515-R700 PolarHBondContact OG-O 3.1Å; L516-R700 HydrophobicContact CG-CG 4.42Å; D526-R700 IonicContact OD1-CZ 3.74Å; D526-R700 IonicContact OD1-NE 3.99Å; D526-R700 PolarHBondContact OD1-NE 2.79Å; D526-R700 IonicContact OD1-NH2 3.46Å; D526-R700 PolarHBondContact OD1-NH2 3.33Å; D526-R700 WeakPolarHBondContact OD2-CG 3.37Å; D526-R700 IonicContact OD2-CZ 3.45Å; D526-R700 IonicContact OD2-NE 3.36Å; D526-R700 PolarHBondContact OD2-NE 3.45Å; D526-R700 IonicContact OD2-NH2 2.72Å; V586-R700 HydrophobicContact CG1-CG 4.45Å; V586-R700 HydrophobicContact CG2-CG 4.11Å; R700-K702 PolarHBondContact O-N 2.92Å
701	L	94.4	Very high	79.2	Confident	4 Å²	4	54.7 Å²	54.7	2%	0.021	30%	0.3	C	S	.	.	B	Isolated β-bridge	trans	-62.2	134.6	-172.9	-71.9	165.2	0	0	0	112.4	F400 L513 A596 I699 Q703 Y704	F400-L701 HydrophobicContact CB-CD1 3.73Å; F400-L701 HydrophobicContact CD1-CD1 3.51Å; F400-L701 HydrophobicContact CD2-CD1 3.61Å; F400-L701 HydrophobicContact CD2-CD2 4.17Å; F400-L701 HydrophobicContact CE1-CD1 3.93Å; F400-L701 HydrophobicContact CE2-CD1 4Å; F400-L701 HydrophobicContact CE2-CD2 4.25Å; F400-L701 HydrophobicContact CG-CD1 3.33Å; F400-L701 HydrophobicContact CZ-CD1 4.15Å; L513-L701 HydrophobicContact CB-CD2 3.64Å; L513-L701 HydrophobicContact CD1-CD2 4.45Å; L513-L701 WeakPolarHBondContact O-CA 3.46Å; A596-L701 HydrophobicContact CB-CD1 3.87Å; I699-L701 HydrophobicContact CD1-CD2 3.61Å; I699-L701 HydrophobicContact CD1-CG 4.33Å; I699-L701 HydrophobicContact CG1-CD2 3.88Å; I699-L701 HydrophobicContact CG1-CG 4.04Å; I699-L701 HydrophobicContact CG2-CD2 4.46Å; I699-L701 HydrophobicContact CG2-CG 4.29Å; I699-L701 PolarHBondContact O-N 3.15Å; L701-Q703 VanDerWaalsContact C-N 3.25Å; L701-Q703 HydrophobicContact CB-CG 3.98Å; L701-Q703 PolarHBondContact O-N 3.24Å; L701-Y704 HydrophobicContact CB-CD1 4.41Å; L701-Y704 HydrophobicContact CB-CD2 3.78Å; L701-Y704 HydrophobicContact CB-CE2 3.99Å; L701-Y704 HydrophobicContact CB-CG 4.02Å; L701-Y704 HydrophobicContact CD1-CD2 4.36Å; L701-Y704 HydrophobicContact CD1-CE1 4.23Å; L701-Y704 HydrophobicContact CD1-CE2 3.69Å; L701-Y704 HydrophobicContact CG-CD2 4.48Å; L701-Y704 HydrophobicContact CG-CE2 4.22Å; L701-Y704 WeakPolarHBondContact O-CB 3.27Å; L701-Y704 PolarHBondContact O-N 3.34Å
702	K	93.4	Very high	76.2	Confident	97 Å²	97	62.9 Å²	62.9	42%	0.422	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	-51.5	-42.9	179	-71.2	171.3	-172.4	175.1	0	113.1	T512 L513 S514 R700 Y704 H705	T512-K702 VanDerWaalsContact O-CE 3.29Å; T512-K702 WeakPolarHBondContact O-CE 3.27Å; T512-K702 PolarHBondContact O-NZ 3.13Å; L513-K702 WeakPolarHBondContact O-CG 3.48Å; L513-K702 PolarHBondContact O-N 3.5Å; S514-K702 WeakPolarHBondContact O-CE 3.4Å; R700-K702 PolarHBondContact O-N 2.92Å; K702-Y704 PolarHBondContact O-N 3.29Å; K702-H705 CarbonylContact O-C 3.52Å; K702-H705 PolarHBondContact O-N 2.64Å; K702-H705 VanDerWaalsContact O-N 3.13Å
703	Q	89.8	Confident	73	Confident	99 Å²	99	70.7 Å²	70.7	46%	0.463	38%	0.38	S	S	.	.	G	3₁₀ helix	trans	-62.8	-22.7	179.8	53.9	162.6	45	0	0	114.4	F400 L701 H705	F400-Q703 PolarHBondContact O-NE2 2.81Å; L701-Q703 VanDerWaalsContact C-N 3.25Å; L701-Q703 HydrophobicContact CB-CG 3.98Å; L701-Q703 PolarHBondContact O-N 3.24Å; Q703-H705 PolarHBondContact O-N 2.9Å
704	Y	86.7	Confident	69.9	Low	13 Å²	13	76.7 Å²	76.7	5%	0.051	42%	0.417	C	S	.	.	G	3₁₀ helix	trans	-74.3	-15.6	177.4	-67.5	-15.1	0	0	0	113	E402 A596 R680 L701 K702	E402-Y704 HydrophobicContact CG-CE1 4.35Å; E402-Y704 WeakPolarHBondContact OE1-CE1 3.32Å; A596-Y704 HydrophobicContact CB-CE2 3.93Å; R680-Y704 HydrophobicContact CB-CD2 4.46Å; R680-Y704 HydrophobicContact CB-CE2 3.75Å; R680-Y704 HydrophobicContact CG-CD2 4.23Å; R680-Y704 HydrophobicContact CG-CE1 4.04Å; R680-Y704 HydrophobicContact CG-CE2 3.67Å; R680-Y704 PolarHBondContact N-OH 2.94Å; R680-Y704 PolarHBondContact NH1-O 2.66Å; L701-Y704 HydrophobicContact CB-CD1 4.41Å; L701-Y704 HydrophobicContact CB-CD2 3.78Å; L701-Y704 HydrophobicContact CB-CE2 3.99Å; L701-Y704 HydrophobicContact CB-CG 4.02Å; L701-Y704 HydrophobicContact CD1-CD2 4.36Å; L701-Y704 HydrophobicContact CD1-CE1 4.23Å; L701-Y704 HydrophobicContact CD1-CE2 3.69Å; L701-Y704 HydrophobicContact CG-CD2 4.48Å; L701-Y704 HydrophobicContact CG-CE2 4.22Å; L701-Y704 WeakPolarHBondContact O-CB 3.27Å; L701-Y704 PolarHBondContact O-N 3.34Å; K702-Y704 PolarHBondContact O-N 3.29Å
705	H	76.3	Confident	67.1	Low	76 Å²	76	85.9 Å²	85.9	35%	0.352	46%	0.46	S	S	.	.	S	Bend	trans	-123.7	74.1	176.5	-46.6	-76.7	0	0	0	108.3	Q593 K702 Q703 V707	Q593-H705 PolarHBondContact OE1-CE1 3.12Å; K702-H705 CarbonylContact O-C 3.52Å; K702-H705 PolarHBondContact O-N 2.64Å; K702-H705 VanDerWaalsContact O-N 3.13Å; Q703-H705 PolarHBondContact O-N 2.9Å; H705-V707 PolarHBondContact O-N 2.73Å
706	P	59.8	Low	63.9	Low	106 Å²	106	91.6 Å²	91.6	69%	0.688	50%	0.5	S	S	*	.			trans	-54.5	117.6	172.1	24.4	-33.5	0	0	0	108	V708	P706-V708 PolarHBondContact O-N 3.09Å
707	V	46.6	Very low	60.6	Low	119 Å²	119	98.7 Å²	98.7	72%	0.721	54%	0.535	S	S	*	.			trans	-64.6	111	-173.9	-174.8	0	0	0	0	107.6	H705 E709	H705-V707 PolarHBondContact O-N 2.73Å; V707-E709 HydrophobicContact CB-CG 4.25Å; V707-E709 HydrophobicContact CG1-CG 3.64Å; V707-E709 PolarHBondContact O-N 3.23Å
708	V	39.8	Very low	57.5	Low	131 Å²	131	103.6 Å²	103.6	79%	0.794	57%	0.571	S	S	*	*			trans	-69.9	85.4	162.5	-178.2	0	0	0	0	105.7	P706 A710	P706-V708 PolarHBondContact O-N 3.09Å; V708-A710 PolarHBondContact O-N 2.95Å
709	E	35.2	Very low	54.3	Low	170 Å²	170	107.9 Å²	107.9	79%	0.794	60%	0.595	S	S	*	*			trans	-67.4	76.7	167.9	-70	-164.3	159.4	0	0	108	V707 T711	V707-E709 HydrophobicContact CB-CG 4.25Å; V707-E709 HydrophobicContact CG1-CG 3.64Å; V707-E709 PolarHBondContact O-N 3.23Å; E709-T711 PolarHBondContact O-N 2.75Å
710	A	32.2	Very low	51.3	Low	66 Å²	66	116.1 Å²	116.1	55%	0.545	64%	0.636	S	S	.	*			trans	-55.5	129.8	170.1	0	0	0	0	0	108	V708 Q712	V708-A710 PolarHBondContact O-N 2.95Å; A710-Q712 VanDerWaalsContact C-N 3.28Å; A710-Q712 PolarHBondContact O-N 2.83Å
711	T	34.4	Very low	48.1	Very low	138 Å²	138	120.1 Å²	120.1	85%	0.847	66%	0.662	S	S	*	*	S	Bend	trans	-65.5	83.6	-176.2	46.1	0	0	0	0	111.3	E709	E709-T711 PolarHBondContact O-N 2.75Å
712	Q	34.1	Very low	45.1	Very low	173 Å²	173	125.3 Å²	125.3	81%	0.808	70%	0.697	S	S	*	*			trans	-130.7	43.7	176.1	-66.2	-166.4	-3.6	0	0	111.1	A710	A710-Q712 VanDerWaalsContact C-N 3.28Å; A710-Q712 PolarHBondContact O-N 2.83Å
713	N	32	Very low	41.8	Very low	163 Å²	163	124 Å²	124	87%	0.872	71%	0.711	S	S	*	*	S	Bend	trans	-143	40.4	172.4	-98	-38.4	0	0	0	111.3
714	T	33.8	Very low	39	Very low	127 Å²	127	127 Å²	127	78%	0.779	73%	0.729	S	S	*	*	S	Bend	trans	-142.8	32.9	-179	-36	0	0	0	0	113.1
715	E	39.2	Very low	36.2	Very low	193 Å²	193	132.7 Å²	132.7	90%	0.902	77%	0.766	S	S	*	*	S	Bend	trans	-154.6	65.9	170	-135.7	169.1	-115.2	0	0	114
716	S	30.7	Very low	33.8	Very low	119 Å²	119	133 Å²	133	83%	0.832	79%	0.789	S	S	*	*			trans	-170.8	58.7	164.1	46.3	0	0	0	0	112.9
717	N	29.7	Very low	32.3	Very low	166 Å²	166	137.5 Å²	137.5	89%	0.888	80%	0.798	S	S	*	*			trans	-133.2	85.6	172	-156.2	-0.2	0	0	0	112.1
718	S	31.7	Very low	31.4	Very low	109 Å²	109	142.8 Å²	142.8	76%	0.762	81%	0.805	S	S	*	*			trans	-144	99.9	173.3	61.2	0	0	0	0	111
719	N	31	Very low	30.8	Very low	137 Å²	137	144.2 Å²	144.2	73%	0.733	80%	0.803	S	S	*	*			trans	27.4	121.6	144.9	-75.2	-10.3	0	0	0	117.7
720	M	31.4	Very low	30.5	Very low	174 Å²	174	144.4 Å²	144.4	86%	0.857	81%	0.808	S	S	*	*				-160.4	170.9	62.9	-84.8	-58.9	178.1	0	0	113.8
721	D	28.5	Very low	30.2	Very low	143 Å²	143	149.6 Å²	149.6	77%	0.765	82%	0.821	S	S	*	*			trans	-96.2	172.6	-179.8	178.8	41.6	0	0	0	113.8
722	C	29.9	Very low	29.9	Very low	112 Å²	112	149.1 Å²	149.1	76%	0.757	82%	0.818	S	S	*	*			trans	76.7	113.2	162.1	-87.5	0	0	0	0	119.7
723	G	25.8	Very low	29.6	Very low	70 Å²	70	147.4 Å²	147.4	72%	0.722	82%	0.815	S	S	*	*				130.1	120.1	105	0	0	0	0	0	120.5
724	L	30.1	Very low	29.4	Very low	161 Å²	161	144 Å²	144	84%	0.843	80%	0.803	S	S	*	*			trans	68.4	102.1	140.3	-63.8	172.3	0	0	0	122.1
725	T	27.4	Very low	29.1	Very low	134 Å²	134	146.7 Å²	146.7	82%	0.822	81%	0.807	S	S	*	*				49.9	119.9	126.9	60.8	0	0	0	0	121.9
726	G	26.3	Very low	28.3	Very low	82 Å²	82	142.5 Å²	142.5	85%	0.845	80%	0.798	S	S	*	*			trans	-160.9	141	158.4	0	0	0	0	0	112.4
727	K	29.1	Very low	28.1	Very low	201 Å²	201	143.4 Å²	143.4	87%	0.874	80%	0.798	S	S	*	*			trans	-117	140.4	179.2	-61.7	179.3	179.2	-177.3	0	111.4
728	R	27.5	Very low	28	Very low	230 Å²	230	146.1 Å²	146.1	87%	0.868	80%	0.796	S	S	*	*				169.6	158.9	113.8	-97.3	-174.8	177	114.1	-2.7	113.4
729	E	26.6	Very low	27.8	Very low	161 Å²	161	148.4 Å²	148.4	75%	0.752	80%	0.798	S	S	*	*			trans	-74.7	159.4	167	-45.2	95.5	134.2	0	0	112.4
730	L	28.6	Very low	27.7	Very low	173 Å²	173	150 Å²	150	91%	0.906	80%	0.798	S	S	*	*				-167.6	156	117.2	-102.4	166.5	0	0	0	111.8
731	E	26.7	Very low	27.5	Very low	175 Å²	175	147.8 Å²	147.8	82%	0.818	80%	0.795	S	S	*	*			trans	-103.7	-165	-177	-60.9	173.6	100.9	0	0	111.9
732	V	28.6	Very low	27.4	Very low	128 Å²	128	148 Å²	148	78%	0.776	79%	0.792	S	S	*	*			trans	82.2	128.2	161.4	-175.4	0	0	0	0	115.1
733	D	26.7	Very low	27.4	Very low	138 Å²	138	148.3 Å²	148.3	74%	0.738	80%	0.795	S	S	*	*			cis	-149	167.6	2.3	-142.3	-21.6	0	0	0	115.2
734	S	29	Very low	27.4	Very low	90 Å²	90	153.8 Å²	153.8	63%	0.629	80%	0.802	S	S	*	*			trans	-9.5	142.1	152	-56.8	0	0	0	0	120.9
735	Q	26.1	Very low	27.3	Very low	185 Å²	185	155.5 Å²	155.5	86%	0.864	81%	0.805	S	S	*	*				-163.6	154.7	98	-158.7	65.4	-21.7	0	0	112.5
736	C	22.9	Very low	27.3	Very low	105 Å²	105	155.2 Å²	155.2	71%	0.709	80%	0.803	S	S	*	*			trans	-98	150.4	-175.9	-178.9	0	0	0	0	113
737	V	26.5	Very low	27.2	Very low	137 Å²	137	157 Å²	157	83%	0.83	80%	0.801	S	S	*	*				179.9	118.8	121.2	152.5	0	0	0	0	114
738	R	27.3	Very low	27	Very low	223 Å²	223	153.5 Å²	153.5	84%	0.842	80%	0.797	S	S	*	*			trans	-22.3	132.4	153.5	177.9	-168.3	-165.4	171.3	4.8	118.3
739	I	28.4	Very low	27.2	Very low	158 Å²	158	149.2 Å²	149.2	81%	0.81	79%	0.787	S	S	*	*			trans	-142	146.9	133.5	-98.3	158	0	0	0	107.9
740	K	28.4	Very low	27.2	Very low	169 Å²	169	149.3 Å²	149.3	74%	0.735	79%	0.791	S	S	*	*			trans	-136.3	124.9	173.5	-170.3	-164.5	-169.8	-135	0	107.3	E742	K740-E742 WeakPolarHBondContact CE-OE1 3.35Å; K740-E742 IonicContact NZ-OE1 2.61Å; K740-E742 PolarHBondContact NZ-OE1 3.2Å
741	T	27.7	Very low	27.3	Very low	128 Å²	128	147.1 Å²	147.1	79%	0.785	78%	0.776	S	S	*	*			trans	-140.4	130.7	174.8	-35.7	0	0	0	0	108.9
742	E	26.9	Very low	27.4	Very low	149 Å²	149	145.8 Å²	145.8	70%	0.696	77%	0.774	S	S	*	*			trans	-96.3	155.6	173.3	-71.6	136.8	-162.4	0	0	109.7	K740	K740-E742 WeakPolarHBondContact CE-OE1 3.35Å; K740-E742 IonicContact NZ-OE1 2.61Å; K740-E742 PolarHBondContact NZ-OE1 3.2Å
743	S	28.2	Very low	27.4	Very low	118 Å²	118	146 Å²	146	83%	0.825	77%	0.77	S	S	*	*			trans	-150.5	104	164.8	58.6	0	0	0	0	110.1
744	E	27.5	Very low	27.4	Very low	185 Å²	185	145.2 Å²	145.2	86%	0.864	77%	0.77	S	S	*	*			trans	-69	144.4	155.7	-56.6	175.7	121.1	0	0	108.4
745	E	27.5	Very low	27.3	Very low	197 Å²	197	147.3 Å²	147.3	92%	0.921	78%	0.779	S	S	*	*			trans	-141.7	159.3	147.3	-82.6	-147.3	146.6	0	0	109.9
746	T	26.1	Very low	27.4	Very low	127 Å²	127	143.3 Å²	143.3	78%	0.779	78%	0.778	S	S	*	*			trans	-120.9	144.2	-143.1	-42.7	0	0	0	0	113.2
747	C	24.9	Very low	27.7	Very low	119 Å²	119	143.6 Å²	143.6	80%	0.804	78%	0.781	S	S	*	*			trans	-57.5	138.8	170.8	-175.7	0	0	0	0	112.1
748	T	25.3	Very low	27.8	Very low	128 Å²	128	142.4 Å²	142.4	79%	0.785	78%	0.779	S	S	*	*			trans	-137	122.7	164.6	-49.4	0	0	0	0	109.8
749	E	31.2	Very low	27.8	Very low	141 Å²	141	137.2 Å²	137.2	66%	0.659	78%	0.777	S	S	*	*			trans	-99	133.3	175.7	-177.9	-158.7	159.7	0	0	110.4	Q751	E749-Q751 WeakPolarHBondContact OE1-CG 3.38Å; E749-Q751 PolarHBondContact OE1-NE2 2.93Å
750	I	27.4	Very low	27.8	Very low	162 Å²	162	139.2 Å²	139.2	83%	0.831	78%	0.78	S	S	*	*			trans	-139.3	135.9	156.2	-65	-172.3	0	0	0	109.7
751	Q	29.7	Very low	29	Very low	128 Å²	128	136.5 Å²	136.5	60%	0.598	78%	0.779	S	S	*	*			trans	-95.3	162.1	179.1	-55.9	163.5	9.6	0	0	111.2	E749	E749-Q751 WeakPolarHBondContact OE1-CG 3.38Å; E749-Q751 PolarHBondContact OE1-NE2 2.93Å
752	L	29.5	Very low	30.1	Very low	147 Å²	147	135.5 Å²	135.5	77%	0.77	78%	0.775	S	S	*	*				170.4	119.2	111.6	-103.1	108.2	0	0	0	114.4
753	L	28.9	Very low	30.2	Very low	133 Å²	133	132.5 Å²	132.5	70%	0.696	78%	0.776	S	S	*	*				53.9	144.5	129.6	-92.3	69.5	0	0	0	125
754	T	26.6	Very low	30.3	Very low	120 Å²	120	132.5 Å²	132.5	74%	0.736	78%	0.776	S	S	*	*			trans	67.6	143.7	149.4	51.8	0	0	0	0	118.8
755	T	26.1	Very low	30.4	Very low	135 Å²	135	131.8 Å²	131.8	83%	0.828	77%	0.772	S	S	*	*			cis	-150.8	157.4	-1.1	0.3	0	0	0	0	108.1
756	A	28.5	Very low	30.5	Very low	101 Å²	101	128.7 Å²	128.7	84%	0.835	76%	0.762	S	S	*	*				-177.2	-175.5	87.8	0	0	0	0	0	111.8
757	S	28.7	Very low	30.5	Very low	110 Å²	110	128.9 Å²	128.9	77%	0.769	76%	0.758	S	S	*	*			trans	-135.4	-178.2	-168	59.1	0	0	0	0	114.5
758	S	28.8	Very low	30.8	Very low	113 Å²	113	130.7 Å²	130.7	79%	0.79	76%	0.759	S	S	*	*			trans	78.8	149.4	-179.6	78.9	0	0	0	0	116.1
759	S	27.9	Very low	31	Very low	113 Å²	113	132.4 Å²	132.4	79%	0.79	76%	0.758	S	S	*	*			cis	-166.4	151.9	-19.9	43.5	0	0	0	0	112.1
760	F	28.6	Very low	31	Very low	200 Å²	200	135.3 Å²	135.3	88%	0.877	77%	0.771	S	S	*	*			trans	-77.2	177.7	169.2	-66.7	-82.3	0	0	0	112.5
761	P	52.1	Low	31.2	Very low	112 Å²	112	132.7 Å²	132.7	73%	0.727	76%	0.759	S	S	*	*			cis	-128.2	-135.2	-48	40.1	-21.2	0	0	0	108.5
762	P	51.4	Low	31.4	Very low	108 Å²	108	135.7 Å²	135.7	70%	0.701	77%	0.773	S	S	*	*			cis	-130.1	167.3	-34.1	39.2	-23.1	0	0	0	116.2
763	A	30.2	Very low	31.5	Very low	85 Å²	85	136.9 Å²	136.9	70%	0.702	77%	0.772	S	S	*	*			trans	50.9	151	141.3	0	0	0	0	0	125.4
764	S	29.7	Very low	31.5	Very low	118 Å²	118	137.1 Å²	137.1	83%	0.825	78%	0.779	S	S	*	*			trans	69.8	148.8	160.2	19.5	0	0	0	0	118.1
765	E	28.8	Very low	31.8	Very low	170 Å²	170	139.7 Å²	139.7	79%	0.794	78%	0.783	S	S	*	*			cis	-164.8	-178	-15.1	-155.9	178.2	-134.9	0	0	109.6
766	L	29.4	Very low	32.7	Very low	133 Å²	133	137.8 Å²	137.8	70%	0.696	77%	0.773	S	S	*	*			trans	85.1	109.8	154	-67.7	165.7	0	0	0	123
767	N	27.2	Very low	32.9	Very low	130 Å²	130	140.4 Å²	140.4	70%	0.695	77%	0.771	S	S	*	*				58.1	121.1	124.9	-93.1	-42.9	0	0	0	124.2
768	L	30.3	Very low	33.5	Very low	158 Å²	158	140.8 Å²	140.8	83%	0.827	77%	0.771	S	S	*	*				171.9	102.9	122.7	-91.4	152.7	0	0	0	107.4
769	Q	29.3	Very low	33.5	Very low	163 Å²	163	141.8 Å²	141.8	76%	0.762	77%	0.772	S	S	*	*				84.7	101.9	55.6	-170.9	-175.3	40.2	0	0	114.4
770	Q	31.9	Very low	33.5	Very low	202 Å²	202	144.2 Å²	144.2	94%	0.944	78%	0.775	S	S	*	*			trans	-147.5	159.3	141.6	-151.1	163.1	15	0	0	110.3
771	D	32.4	Very low	33.4	Very low	108 Å²	108	141.5 Å²	141.5	58%	0.578	76%	0.763	S	S	*	*			trans	-134	144.9	-154.2	165.8	38.5	0	0	0	112.9	K773	D771-K773 PolarHBondContact OD1-N 2.8Å
772	Q	32.7	Very low	32.3	Very low	191 Å²	191	142.6 Å²	142.6	89%	0.893	77%	0.767	S	S	*	*			trans	-159.5	114.2	140.4	-114.3	153.6	107.5	0	0	114.9
773	K	31.2	Very low	31.1	Very low	171 Å²	171	144.4 Å²	144.4	74%	0.743	77%	0.767	S	S	*	*			trans	-15.7	146.5	156.9	-63.8	165.8	-173.9	170.6	0	116.7	D771	D771-K773 PolarHBondContact OD1-N 2.8Å
774	T	30.5	Very low	31.1	Very low	139 Å²	139	145.4 Å²	145.4	85%	0.853	77%	0.768	S	S	*	*				-160.5	158	64.8	-57.8	0	0	0	0	112.8
775	Q	32.9	Very low	31.1	Very low	173 Å²	173	150.9 Å²	150.9	81%	0.808	77%	0.771	S	S	*	*			trans	-104	-167.9	-176.1	-43.2	-174.1	-18	0	0	112
776	P	44.2	Very low	31.1	Very low	95 Å²	95	150.5 Å²	150.5	62%	0.617	77%	0.773	S	S	*	*			cis	-139.9	163.3	-9.3	31.1	-8.6	0	0	0	118.3
777	I	33	Very low	31.3	Very low	157 Å²	157	150.4 Å²	150.4	81%	0.805	77%	0.774	S	S	*	*			trans	66.4	141.3	140.5	-73.7	167.9	0	0	0	120.1
778	P	41	Very low	31.4	Very low	117 Å²	117	150.2 Å²	150.2	76%	0.76	78%	0.783	S	S	*	*			cis	-131.7	-174.7	-22.8	36	-15.8	0	0	0	114.9
779	V	29.2	Very low	31.5	Very low	134 Å²	134	149.1 Å²	149.1	81%	0.812	78%	0.778	S	S	*	*			trans	-69.4	142.2	173.1	174.9	0	0	0	0	112.7
780	L	27.5	Very low	31.6	Very low	165 Å²	165	151 Å²	151	86%	0.864	79%	0.786	S	S	*	*			trans	-105.8	122.8	161.1	-93	169.9	0	0	0	111.2
781	K	26.6	Very low	31.7	Very low	143 Å²	143	148.7 Å²	148.7	62%	0.622	78%	0.775	S	S	*	*			trans	-108.4	118	172.7	-177.4	-164.5	-179.1	-152.6	0	107.3	E783	K781-E783 VanDerWaalsContact CE-CD 3.44Å; K781-E783 VanDerWaalsContact CE-OE1 3.3Å; K781-E783 WeakPolarHBondContact CE-OE1 3.43Å; K781-E783 WeakPolarHBondContact CE-OE2 3.49Å; K781-E783 IonicContact NZ-OE1 2.63Å; K781-E783 PolarHBondContact NZ-OE1 2.75Å; K781-E783 IonicContact NZ-OE2 2.8Å; K781-E783 PolarHBondContact NZ-OE2 3.14Å; K781-E783 PolarHBondContact O-N 2.61Å
782	V	29.3	Very low	31.8	Very low	134 Å²	134	150.7 Å²	150.7	81%	0.812	78%	0.781	S	S	*	*			trans	-94.2	92.6	-179.4	-177.8	0	0	0	0	109.8
783	E	26.4	Very low	31.5	Very low	147 Å²	147	148.8 Å²	148.8	69%	0.687	78%	0.777	S	S	*	*			trans	-92.6	138.7	160.7	-78.6	169.9	149.8	0	0	109.2	K781	K781-E783 VanDerWaalsContact CE-CD 3.44Å; K781-E783 VanDerWaalsContact CE-OE1 3.3Å; K781-E783 WeakPolarHBondContact CE-OE1 3.43Å; K781-E783 WeakPolarHBondContact CE-OE2 3.49Å; K781-E783 IonicContact NZ-OE1 2.63Å; K781-E783 PolarHBondContact NZ-OE1 2.75Å; K781-E783 IonicContact NZ-OE2 2.8Å; K781-E783 PolarHBondContact NZ-OE2 3.14Å; K781-E783 PolarHBondContact O-N 2.61Å
784	S	29.7	Very low	31.4	Very low	105 Å²	105	145.9 Å²	145.9	73%	0.734	77%	0.769	S	S	*	*			trans	-117.2	95.6	-173.5	46.9	0	0	0	0	112.2
785	R	29.6	Very low	31.5	Very low	234 Å²	234	146.3 Å²	146.3	88%	0.883	76%	0.761	S	S	*	*			trans	-175.7	117.9	158.8	-101.4	147.5	-166.7	-116.6	5.8	112.4
786	L	28.7	Very low	31.3	Very low	161 Å²	161	144.5 Å²	144.5	84%	0.843	75%	0.753	S	S	*	*			trans	-152.7	137.2	140.9	-74	-178.4	0	0	0	103.6
787	D	33	Very low	30.8	Very low	132 Å²	132	148.1 Å²	148.1	71%	0.706	76%	0.761	S	S	*	*			cis	120.8	140.5	15	-85	-26.3	0	0	0	109.3
788	S	30.6	Very low	30.8	Very low	126 Å²	126	145.3 Å²	145.3	88%	0.881	76%	0.755	S	S	*	*			trans	-163.2	100.8	166.6	-77.7	0	0	0	0	108.9
789	D	32.3	Very low	30.4	Very low	135 Å²	135	145.5 Å²	145.5	72%	0.722	75%	0.754	S	S	*	*			trans	-69.1	159	175.3	-80.4	-53.9	0	0	0	113.3	Q791	D789-Q791 HydrophobicContact CB-CG 4.43Å
790	Q	31.9	Very low	30.6	Very low	202 Å²	202	144.9 Å²	144.9	94%	0.944	75%	0.751	S	S	*	*			trans	-129.2	132.8	137.5	-77.7	-163.8	-9.8	0	0	109.8
791	Q	32.8	Very low	31	Very low	153 Å²	153	141.8 Å²	141.8	72%	0.715	74%	0.743	S	S	*	*			trans	-105.3	145.6	-171.1	-73.5	-172.8	-14.4	0	0	113.7	D789	D789-Q791 HydrophobicContact CB-CG 4.43Å
792	H	33.7	Very low	31.8	Very low	151 Å²	151	145 Å²	145	70%	0.699	78%	0.775	S	S	*	*			trans	45.1	126.3	141.9	-77.4	-92.3	0	0	0	122.9
793	N	27.5	Very low	32	Very low	150 Å²	150	145.6 Å²	145.6	80%	0.802	77%	0.773	S	S	*	*				-147	99.6	120	-127	-25.4	0	0	0	106.8
794	L	29.8	Very low	32.2	Very low	111 Å²	111	145.5 Å²	145.5	58%	0.581	78%	0.777	S	S	*	*				54.2	107.5	98.9	-59.1	-179.2	0	0	0	113.1
795	Q	31.3	Very low	32.4	Very low	147 Å²	147	147.7 Å²	147.7	69%	0.687	78%	0.78	S	S	*	*				87.4	137	91.5	-131.5	-177.5	-67	0	0	109.8
796	E	29.9	Very low	32.6	Very low	135 Å²	135	142.6 Å²	142.6	63%	0.631	77%	0.773	S	S	*	*			cis	-159.7	156.4	46.2	-96.1	-178	168.9	0	0	114.7
797	H	33.9	Very low	32.8	Very low	172 Å²	172	141.5 Å²	141.5	80%	0.796	77%	0.769	S	S	*	*			trans	58.8	153	146.1	-61	-30.4	0	0	0	120.2
798	S	32.5	Very low	32.8	Very low	97 Å²	97	142.1 Å²	142.1	68%	0.678	77%	0.773	S	S	*	*			cis	-170.4	171.9	-14.3	57.7	0	0	0	0	107.9
799	T	31.9	Very low	32.9	Very low	121 Å²	121	143.3 Å²	143.3	74%	0.742	77%	0.766	S	S	*	*			cis	-154.4	177.3	0.4	-11.8	0	0	0	0	111.6
800	T	33.7	Very low	33	Very low	121 Å²	121	143.9 Å²	143.9	74%	0.742	77%	0.769	S	S	*	*			trans	-38.2	169.7	157.8	46.4	0	0	0	0	118.9
801	S	35.8	Very low	33.1	Very low	100 Å²	100	139.1 Å²	139.1	70%	0.699	75%	0.754	S	S	*	*			cis	177.2	158.6	-17.7	56.7	0	0	0	0	110.7
802	V	44	Very low	33.1	Very low	211 Å²	211	137.8 Å²	137.8	100%	1.279	76%	0.758	S	S	*	*				178.5	0	121.1	150.1	0	0	0	0	108.7

Retrieved 802 of 802 residues in 1927.5 ms (Link to these results)

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