A0A096MUB0_PAPAN Loading...

Zinc finger and SCAN domain-containing protein 20

May be involved in transcriptional regulation.

AlphaFold DB , UniProt , Accession A0A096MUB0, Species PAPAN (Papio anubis, Olive baboon), Gene ZSCAN20, Length 1,043 aa.

						>A0A096MUB0_PAPAN|A0A096MUB0|ZSCAN20
MAVALELQAQASLQPEPEELLIVKLEEDSWGSESKLREKDRDSVSSPEASRQRFRQFQYRDAAGPHEAFSQLWALCCRWLRPEIRLKEQILELLVLEQFLTILPREVQTWVQSRHPESGEEAVALVEDWHRETRTAGQPELELYTEETRPLKTGEESQSFQPQPMDPWPEGQSQKKGVKNTCPDLPNHLNAKMAPQPLKESAVLTPRVPTLPKMGSVGDWEVTAESQEALGPGKHAEKELCKEPPGDDCGNSVYLGVPVSKPSITSEKEQGPEFWGLSLTNSGKRSTAAYSLDNEPAQALTWRDSRAWEEQYQWDVEDMKVSGVHWGYEETKTFLAILSESPFSEKLRTCHQNRQVYRAIAERLRARGFLRTLEQCRYRVKNLLRNYRKAKSSHPPGTCPFYEELEALVRARTAIRATDGPGEAVALPRLGDSDAEMDEQEEGGWEPEEMAEDCNGAGLVTDESTQGPRIAGAPALFQSRIAGVHWGYEETKAFLAILSESPFSEKLRTCHQNSQVYRAIAERLCALGFLRTLEQCRYRFKNLLRSYRKAKSSHPPGTCPFYEELDSLMRARTAVRSMGTVREAAGLPRCGQSSAETDAQEAWGEVADEDAVKPATLCPKAPDMGFEMRHEEEDQISEQDIFEDLPGALSKCPTEAVYQPLDWGEDSENENEDEGQWGNPSQERWQESSSEEDLEKLIDHQGLYLAEKSYKCDTCMKSFSRSSHFIAHQRIHTGEKPYKCLECGKNFSDRSNLNTHQRIHTGEKPYKCLECGKSFSDHSNLITHQRIHTGEKPYKCGECWKSFNQSSNLLKHQRIHLGGNPDQCSEPGGDFAQSPSFSAHWRNSTEETSPEQPQSIRKDLNSPGPHSTNSGEKLYQCSECGRSFSKSSALISHQRIHTGEKPYECAECGKSFSKSSTLANHQRTHTGEKPYKCVDCGKCFSERSKLITHQRVHTGEKPYKCLECGKFFRDRSNLITHQRIHTGEKPYKCRECGKCFNQSSSLIIHQRIHTGEKPYKCTECGKDFNNSSHFSAHRRTHAGGKAS
					

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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	30.1	Very low	33.7	Very low	233 Å²	233	136.5 Å²	136.5	100%	1.148	79%	0.789	S	S	*	*				0	104.6	0	-59.8	162.9	78.4	0	0	104.7
2	A	28.1	Very low	33.2	Very low	91 Å²	91	134.3 Å²	134.3	75%	0.752	79%	0.787	S	S	*	*			cis	71.9	118.6	42.4	0	0	0	0	0	113
3	V	33.5	Very low	32.5	Very low	150 Å²	150	135.8 Å²	135.8	91%	0.909	79%	0.789	S	S	*	*			trans	70	145.6	163.9	179.3	0	0	0	0	115.9
4	A	34.1	Very low	32.1	Very low	73 Å²	73	136.4 Å²	136.4	60%	0.603	78%	0.781	S	S	*	*			cis	-175.8	175	-32.8	0	0	0	0	0	108.6
5	L	37.4	Very low	32.7	Very low	148 Å²	148	135.5 Å²	135.5	78%	0.775	78%	0.782	S	S	*	*			trans	63.2	166.6	159.3	-53.5	174.7	0	0	0	115.9
6	E	36.3	Very low	32.7	Very low	144 Å²	144	137.2 Å²	137.2	67%	0.673	78%	0.78	S	S	*	*			cis	-157	158.3	-24.1	-114.8	173.7	143.1	0	0	111.7
7	L	35.1	Very low	33.9	Very low	128 Å²	128	134.5 Å²	134.5	67%	0.67	77%	0.769	S	S	*	*			trans	38.9	138.4	143.3	-68.3	165.9	0	0	0	125.5
8	Q	37.1	Very low	34	Very low	169 Å²	169	136.9 Å²	136.9	79%	0.79	77%	0.773	S	S	*	*			trans	90.2	114.1	131.3	-83.5	172.3	-11.3	0	0	124.8
9	A	34	Very low	34	Very low	88 Å²	88	136.9 Å²	136.9	73%	0.727	77%	0.766	S	S	*	*				62.1	154.7	122	0	0	0	0	0	120.5
10	Q	36.5	Very low	33.5	Very low	183 Å²	183	137.4 Å²	137.4	86%	0.855	77%	0.766	S	S	*	*			cis	-161	170.3	40.8	-68.8	-179.9	-31.7	0	0	114.3
11	A	29.1	Very low	33.1	Very low	94 Å²	94	137.5 Å²	137.5	78%	0.777	76%	0.764	S	S	*	*			trans	67.1	152.8	153.7	0	0	0	0	0	118.2
12	S	27.7	Very low	32.9	Very low	110 Å²	110	133.1 Å²	133.1	77%	0.769	74%	0.744	S	S	*	*			cis	-160.1	-172	-1.6	-123.2	0	0	0	0	108.6
13	L	24.2	Very low	32.7	Very low	155 Å²	155	135.7 Å²	135.7	81%	0.812	75%	0.75	S	S	*	*			cis	-156.6	-173.2	6.7	-131.4	176.8	0	0	0	109.1
14	Q	26.6	Very low	32.5	Very low	144 Å²	144	135.1 Å²	135.1	67%	0.673	74%	0.735	S	S	*	*			trans	-148.7	153.8	172	-92	-67.9	-3.8	0	0	110.5
15	P	40.4	Very low	32.1	Very low	122 Å²	122	139.4 Å²	139.4	79%	0.792	75%	0.747	S	S	*	*				-153.1	168.1	103	39.6	-20.8	0	0	0	118.7
16	E	33.5	Very low	31.5	Very low	163 Å²	163	137.9 Å²	137.9	76%	0.762	74%	0.736	S	S	*	*			trans	-87.1	-166.6	175.2	-76.3	-73.5	157	0	0	111.9
17	P	52.9	Low	31	Very low	91 Å²	91	138.9 Å²	138.9	59%	0.591	74%	0.741	S	S	*	*			cis	-155.1	-164.1	18.2	48.8	-26.6	0	0	0	120.5
18	E	35.4	Very low	30.5	Very low	178 Å²	178	139.5 Å²	139.5	83%	0.832	75%	0.745	S	S	*	*			trans	76.5	136.2	153.4	-75	161.1	-141.1	0	0	119.7
19	E	33.4	Very low	30	Very low	137 Å²	137	135.1 Å²	135.1	64%	0.64	73%	0.733	S	S	*	*			cis	-151	-159.9	-8	-126.4	-80.5	76.1	0	0	107.4	L21	E19-L21 PolarHBondContact OE1-N 3.38Å; E19-L21 VanDerWaalsContact OE1-N 3.16Å; E19-L21 PolarHBondContact OE2-N 3.41Å
20	L	23.9	Very low	29.6	Very low	146 Å²	146	143.1 Å²	143.1	76%	0.764	74%	0.744	S	S	*	*			cis	-148.9	125.4	29.5	-99	176.1	0	0	0	113.6
21	L	25.8	Very low	29.1	Very low	140 Å²	140	137.8 Å²	137.8	73%	0.733	74%	0.739	S	S	*	*			trans	47.7	144.6	142.6	-72.7	176.3	0	0	0	126.2	E19	E19-L21 PolarHBondContact OE1-N 3.38Å; E19-L21 VanDerWaalsContact OE1-N 3.16Å; E19-L21 PolarHBondContact OE2-N 3.41Å
22	I	26.3	Very low	28.9	Very low	141 Å²	141	138.8 Å²	138.8	72%	0.723	74%	0.74	S	S	*	*			trans	-92.9	152.9	-172	-63.4	150.2	0	0	0	113.9
23	V	23.6	Very low	28.9	Very low	145 Å²	145	140.4 Å²	140.4	88%	0.879	74%	0.735	S	S	*	*			trans	-132.7	140.9	141.1	-179.1	0	0	0	0	109.9
24	K	28.8	Very low	28.9	Very low	139 Å²	139	138.7 Å²	138.7	60%	0.604	74%	0.736	S	S	*	*			trans	-88.9	154.5	-176.8	-88.6	-172.8	166.5	-163.1	0	114.4	E26	K24-E26 WeakPolarHBondContact CE-OE1 3.41Å; K24-E26 IonicContact NZ-OE1 2.73Å; K24-E26 PolarHBondContact NZ-OE1 3.22Å; K24-E26 IonicContact NZ-OE2 2.65Å
25	L	25.9	Very low	29.1	Very low	163 Å²	163	140.1 Å²	140.1	85%	0.853	74%	0.74	S	S	*	*			trans	-172.2	124.8	132.4	-97.5	152.9	0	0	0	105.1
26	E	25.7	Very low	28.3	Very low	115 Å²	115	141.6 Å²	141.6	54%	0.537	74%	0.741	S	S	.	*			cis	58.3	122.5	45.7	-68	166.6	179	0	0	111.1	K24	K24-E26 WeakPolarHBondContact CE-OE1 3.41Å; K24-E26 IonicContact NZ-OE1 2.73Å; K24-E26 PolarHBondContact NZ-OE1 3.22Å; K24-E26 IonicContact NZ-OE2 2.65Å
27	E	26.1	Very low	28	Very low	165 Å²	165	144.3 Å²	144.3	77%	0.771	74%	0.744	S	S	*	*			cis	-153.8	178	14.1	-125.1	166.9	163.1	0	0	112.4
28	D	23.4	Very low	27.2	Very low	141 Å²	141	148.8 Å²	148.8	75%	0.754	76%	0.757	S	S	*	*			trans	74.1	150.1	156.7	-79.6	-24.7	0	0	0	123.2
29	S	27.1	Very low	27	Very low	77 Å²	77	149.7 Å²	149.7	54%	0.538	76%	0.758	S	S	.	*			cis	-163.5	124.7	-27.7	-131.6	0	0	0	0	112.8
30	W	26.3	Very low	26.6	Very low	256 Å²	256	149.4 Å²	149.4	97%	0.97	76%	0.761	S	S	*	*			trans	61.5	153	152.3	-61.1	21.9	0	0	0	118.1
31	G	24.1	Very low	27	Very low	72 Å²	72	153.4 Å²	153.4	74%	0.742	77%	0.766	S	S	*	*			cis	-156.9	165.5	2.3	0	0	0	0	0	113.4
32	S	26.1	Very low	27.6	Very low	114 Å²	114	154.3 Å²	154.3	80%	0.797	77%	0.772	S	S	*	*			trans	-82.5	159.3	-169.7	-55	0	0	0	0	115
33	E	27.4	Very low	27.8	Very low	144 Å²	144	151.9 Å²	151.9	67%	0.673	77%	0.767	S	S	*	*			trans	26.5	125.8	146	-62.4	-173.8	134.7	0	0	120.4	K35	E33-K35 HydrophobicContact CB-CB 4.39Å; E33-K35 HydrophobicContact CG-CB 4.49Å; E33-K35 VanDerWaalsContact OE1-CD 3.23Å; E33-K35 WeakPolarHBondContact OE1-CD 3.4Å; E33-K35 IonicContact OE1-NZ 2.64Å; E33-K35 PolarHBondContact OE1-NZ 3.35Å
34	S	24.4	Very low	28.5	Very low	119 Å²	119	151.1 Å²	151.1	83%	0.832	76%	0.763	S	S	*	*			trans	-119.3	79.8	132.1	49.1	0	0	0	0	109.9	L36	S34-L36 VanDerWaalsContact C-N 3.29Å; S34-L36 PolarHBondContact O-N 3.12Å
35	K	30.5	Very low	29.2	Very low	174 Å²	174	147.6 Å²	147.6	76%	0.757	76%	0.756	S	S	*	*			trans	-77.5	73	-177.8	-172	176.1	-171.8	171.2	0	111.3	E33 R37	E33-K35 HydrophobicContact CB-CB 4.39Å; E33-K35 HydrophobicContact CG-CB 4.49Å; E33-K35 VanDerWaalsContact OE1-CD 3.23Å; E33-K35 WeakPolarHBondContact OE1-CD 3.4Å; E33-K35 IonicContact OE1-NZ 2.64Å; E33-K35 PolarHBondContact OE1-NZ 3.35Å; K35-R37 PolarHBondContact O-N 3.2Å; K35-R37 VanDerWaalsContact O-N 3.11Å
36	L	24.7	Very low	30.5	Very low	154 Å²	154	142.6 Å²	142.6	81%	0.806	73%	0.734	S	S	*	*			trans	-87.4	87.6	-171.6	-144.3	165.9	0	0	0	112.5	S34	S34-L36 VanDerWaalsContact C-N 3.29Å; S34-L36 PolarHBondContact O-N 3.12Å
37	R	25.6	Very low	32.1	Very low	220 Å²	220	139.2 Å²	139.2	83%	0.83	72%	0.722	S	S	*	*			trans	68	127.2	167.4	-77.5	-176.1	162.6	-80.6	-2.9	118.8	K35	K35-R37 PolarHBondContact O-N 3.2Å; K35-R37 VanDerWaalsContact O-N 3.11Å
38	E	36.7	Very low	34.1	Very low	185 Å²	185	132.5 Å²	132.5	86%	0.864	69%	0.691	S	S	*	*			trans	-58.7	129.4	151.3	-57.7	158.9	110.2	0	0	110.8
39	K	30.5	Very low	36.4	Very low	196 Å²	196	127.2 Å²	127.2	85%	0.852	67%	0.667	S	S	*	*				-155.9	166.1	127.3	-114.6	-177.3	178.7	-170.1	0	110
40	D	25.4	Very low	38.5	Very low	131 Å²	131	124 Å²	124	70%	0.701	65%	0.645	S	S	*	*			trans	73.7	71.6	177.3	-54.2	-0.6	0	0	0	115.7
41	R	33.2	Very low	40.7	Very low	231 Å²	231	112 Å²	112	87%	0.872	60%	0.599	S	S	*	*	S	Bend	trans	-64.3	149.7	133.5	-80.5	-170.3	174.4	-165.5	-1.1	108.7
42	D	37.8	Very low	43	Very low	158 Å²	158	113.4 Å²	113.4	85%	0.845	59%	0.586	S	S	*	*			trans	61.3	55.6	165.3	-50.3	-39	0	0	0	116.5
43	S	29.7	Very low	45.3	Very low	91 Å²	91	114.9 Å²	114.9	64%	0.636	57%	0.574	S	S	*	*			trans	-100.4	110	142.7	58.7	0	0	0	0	110.1	S45	S43-S45 PolarHBondContact O-N 3.45Å; S43-S45 VanDerWaalsContact O-N 3.08Å
44	V	38.6	Very low	47.6	Very low	129 Å²	129	110.9 Å²	110.9	78%	0.782	56%	0.555	S	S	*	*			trans	-64.1	109.7	161.8	175.2	0	0	0	0	106.2	S46	V44-S46 PolarHBondContact O-N 2.83Å
45	S	43.7	Very low	49.9	Very low	65 Å²	65	109.2 Å²	109.2	46%	0.455	53%	0.53	S	S	.	.			trans	-59.2	111.9	-177.2	60.9	0	0	0	0	109.8	S43	S43-S45 PolarHBondContact O-N 3.45Å; S43-S45 VanDerWaalsContact O-N 3.08Å
46	S	53.3	Low	52.1	Low	58 Å²	58	106.5 Å²	106.5	41%	0.406	52%	0.52	S	S	.	.			trans	-47.6	143	-175.1	164.9	0	0	0	0	111.9	V44 E48 A49 S50	V44-S46 PolarHBondContact O-N 2.83Å; S46-E48 PolarHBondContact O-N 3.46Å; S46-E48 VanDerWaalsContact O-N 3.13Å; S46-E48 PolarHBondContact OG-N 2.74Å; S46-A49 WeakPolarHBondContact O-CB 3.37Å; S46-A49 PolarHBondContact O-N 2.99Å; S46-S50 PolarHBondContact O-N 3.47Å
47	P	60.6	Low	54.5	Low	44 Å²	44	101.5 Å²	101.5	29%	0.286	49%	0.492	S	S	.	.	H	α-helix	trans	-49.4	-38.9	175.8	-28.5	36.6	0	0	0	113.3	S50 R51	P47-S50 PolarHBondContact O-N 3.17Å; P47-R51 WeakPolarHBondContact O-CB 3.47Å; P47-R51 PolarHBondContact O-N 3.34Å; P47-R51 VanDerWaalsContact O-N 3.08Å
48	E	67.9	Low	56.7	Low	23 Å²	23	96.7 Å²	96.7	11%	0.107	48%	0.479	C	S	.	.	H	α-helix	trans	-71.9	-31.2	178.5	-165.7	60.5	-153.5	0	0	112.4	S46 S50 R51 Q52 R55	S46-E48 PolarHBondContact O-N 3.46Å; S46-E48 VanDerWaalsContact O-N 3.13Å; S46-E48 PolarHBondContact OG-N 2.74Å; E48-S50 PolarHBondContact O-N 3.5Å; E48-R51 VanDerWaalsContact CD-CD 3.48Å; E48-R51 WeakPolarHBondContact O-CB 3.21Å; E48-R51 PolarHBondContact O-N 2.91Å; E48-R51 WeakPolarHBondContact OE1-CD 3.24Å; E48-R51 WeakPolarHBondContact OE2-CD 3.26Å; E48-R51 IonicContact OE2-CZ 3.7Å; E48-R51 IonicContact OE2-NE 2.75Å; E48-R51 IonicContact OE2-NH1 3.79Å; E48-R51 PolarHBondContact OE2-NH1 3.39Å; E48-Q52 VanDerWaalsContact O-CB 3.28Å; E48-Q52 WeakPolarHBondContact O-CB 3.35Å; E48-Q52 PolarHBondContact O-N 2.86Å; E48-R55 IonicContact OE1-CZ 3.54Å; E48-R55 IonicContact OE1-NH1 3.57Å; E48-R55 PolarHBondContact OE1-NH1 2.83Å; E48-R55 IonicContact OE1-NH2 2.75Å; E48-R55 PolarHBondContact OE1-NH2 2.86Å
49	A	70.4	Confident	58	Low	31 Å²	31	94.8 Å²	94.8	26%	0.256	47%	0.465	S	S	.	.	H	α-helix	trans	-67.2	-35.2	174.1	0	0	0	0	0	112.3	S46 R53	S46-A49 WeakPolarHBondContact O-CB 3.37Å; S46-A49 PolarHBondContact O-N 2.99Å; A49-R53 WeakPolarHBondContact O-CD 3.27Å; A49-R53 VanDerWaalsContact O-CG 3.29Å; A49-R53 WeakPolarHBondContact O-CG 3.47Å; A49-R53 PolarHBondContact O-N 3.34Å
50	S	71.2	Confident	59.6	Low	10 Å²	10	96.1 Å²	96.1	7%	0.07	47%	0.465	C	S	.	.	H	α-helix	trans	-69.6	-38.7	171.7	-69.8	0	0	0	0	112.2	S46 P47 E48 R53 F54	S46-S50 PolarHBondContact O-N 3.47Å; P47-S50 PolarHBondContact O-N 3.17Å; E48-S50 PolarHBondContact O-N 3.5Å; S50-R53 PolarHBondContact O-N 2.85Å; S50-F54 PolarHBondContact O-N 3.27Å; S50-F54 VanDerWaalsContact O-N 3.11Å
51	R	72.4	Confident	61.4	Low	4 Å²	4	94.7 Å²	94.7	2%	0.015	46%	0.457	C	S	.	.	H	α-helix	trans	-66.5	-42.7	176.2	-167.8	-175.7	-140.2	156.1	13.3	112.7	P47 E48 R53 F54 R55 W79 L93 E97	P47-R51 WeakPolarHBondContact O-CB 3.47Å; P47-R51 PolarHBondContact O-N 3.34Å; P47-R51 VanDerWaalsContact O-N 3.08Å; E48-R51 VanDerWaalsContact CD-CD 3.48Å; E48-R51 WeakPolarHBondContact O-CB 3.21Å; E48-R51 PolarHBondContact O-N 2.91Å; E48-R51 WeakPolarHBondContact OE1-CD 3.24Å; E48-R51 WeakPolarHBondContact OE2-CD 3.26Å; E48-R51 IonicContact OE2-CZ 3.7Å; E48-R51 IonicContact OE2-NE 2.75Å; E48-R51 IonicContact OE2-NH1 3.79Å; E48-R51 PolarHBondContact OE2-NH1 3.39Å; R51-R53 VanDerWaalsContact C-N 3.35Å; R51-R53 PolarHBondContact O-N 3.03Å; R51-F54 WeakPolarHBondContact O-CB 3.49Å; R51-F54 PolarHBondContact O-N 3.09Å; R51-F54 VanDerWaalsContact O-N 3.14Å; R51-R55 VanDerWaalsContact CD-NH2 3.28Å; R51-R55 WeakPolarHBondContact O-CG 3.24Å; R51-R55 PolarHBondContact O-N 3.36Å; R51-W79 HydrophobicContact CB-CG 4.32Å; R51-W79 HydrophobicContact CG-CD2 4.48Å; R51-W79 HydrophobicContact CG-CZ2 4.23Å; R51-L93 PolarHBondContact NH2-O 3.48Å; R51-E97 WeakPolarHBondContact CD-OE2 3.45Å; R51-E97 WeakPolarHBondContact CG-OE2 3.47Å; R51-E97 IonicContact CZ-OE2 2.7Å; R51-E97 IonicContact NE-OE2 2.81Å; R51-E97 PolarHBondContact NE-OE2 3.31Å
52	Q	72.5	Confident	62.9	Low	101 Å²	101	84.5 Å²	84.5	47%	0.472	42%	0.422	S	S	.	.	H	α-helix	trans	-62.1	-42.2	176.1	-170.8	-179.7	23.5	0	0	111.2	E48 F54 R55 Q56	E48-Q52 VanDerWaalsContact O-CB 3.28Å; E48-Q52 WeakPolarHBondContact O-CB 3.35Å; E48-Q52 PolarHBondContact O-N 2.86Å; Q52-F54 VanDerWaalsContact C-N 3.32Å; Q52-F54 PolarHBondContact O-N 3.45Å; Q52-R55 PolarHBondContact O-N 3.2Å; Q52-Q56 WeakPolarHBondContact O-CB 3.39Å; Q52-Q56 VanDerWaalsContact O-CG 3.27Å; Q52-Q56 WeakPolarHBondContact O-CG 3.45Å; Q52-Q56 PolarHBondContact O-N 3.02Å
53	R	74.1	Confident	64.4	Low	145 Å²	145	82.1 Å²	82.1	55%	0.547	43%	0.425	S	S	.	.	H	α-helix	trans	-62.5	-35.9	172.8	-72.6	169.1	177.7	171.7	-1.1	112.8	A49 S50 R51 Q56 F57 L75	A49-R53 WeakPolarHBondContact O-CD 3.27Å; A49-R53 VanDerWaalsContact O-CG 3.29Å; A49-R53 WeakPolarHBondContact O-CG 3.47Å; A49-R53 PolarHBondContact O-N 3.34Å; S50-R53 PolarHBondContact O-N 2.85Å; R51-R53 VanDerWaalsContact C-N 3.35Å; R51-R53 PolarHBondContact O-N 3.03Å; R53-Q56 PolarHBondContact O-N 2.9Å; R53-F57 PolarHBondContact O-N 2.82Å; R53-L75 HydrophobicContact CB-CD2 4.05Å
54	F	77.3	Confident	66.5	Low	60 Å²	60	78.9 Å²	78.9	26%	0.263	41%	0.405	S	S	.	.	H	α-helix	trans	-66	-43.4	171.9	178	-102.4	0	0	0	112.2	S50 R51 Q52 Q56 L72 L75 C76 W79	S50-F54 PolarHBondContact O-N 3.27Å; S50-F54 VanDerWaalsContact O-N 3.11Å; R51-F54 WeakPolarHBondContact O-CB 3.49Å; R51-F54 PolarHBondContact O-N 3.09Å; R51-F54 VanDerWaalsContact O-N 3.14Å; Q52-F54 VanDerWaalsContact C-N 3.32Å; Q52-F54 PolarHBondContact O-N 3.45Å; F54-Q56 VanDerWaalsContact C-N 3.26Å; F54-Q56 PolarHBondContact O-N 3.16Å; F54-L72 HydrophobicContact CE2-CG 4.34Å; F54-L75 HydrophobicContact CD2-CB 4.16Å; F54-C76 VanDerWaalsContact CE2-SG 3.56Å; F54-W79 AromaticContact CD1-CE3 3.88Å; F54-W79 HydrophobicContact CD1-CE3 3.88Å; F54-W79 AromaticContact CD1-CZ3 3.83Å; F54-W79 HydrophobicContact CD1-CZ3 3.83Å; F54-W79 HydrophobicContact CE1-CE3 4.19Å; F54-W79 AromaticContact CE1-CZ3 3.75Å; F54-W79 HydrophobicContact CE1-CZ3 3.75Å; F54-W79 HydrophobicContact CG-CE3 4.11Å; F54-W79 HydrophobicContact CG-CZ3 4.48Å; F54-W79 HydrophobicContact CZ-CZ3 4.34Å
55	R	72.8	Confident	67.7	Low	84 Å²	84	76.5 Å²	76.5	32%	0.317	39%	0.393	S	S	.	.	H	α-helix	trans	-63.3	-27	174.4	-67.2	178.1	-173	138.5	6.6	113.8	E48 R51 Q52 E97	E48-R55 IonicContact OE1-CZ 3.54Å; E48-R55 IonicContact OE1-NH1 3.57Å; E48-R55 PolarHBondContact OE1-NH1 2.83Å; E48-R55 IonicContact OE1-NH2 2.75Å; E48-R55 PolarHBondContact OE1-NH2 2.86Å; R51-R55 VanDerWaalsContact CD-NH2 3.28Å; R51-R55 WeakPolarHBondContact O-CG 3.24Å; R51-R55 PolarHBondContact O-N 3.36Å; Q52-R55 PolarHBondContact O-N 3.2Å; R55-E97 IonicContact CZ-OE1 2.84Å; R55-E97 IonicContact CZ-OE2 2.83Å; R55-E97 IonicContact NE-OE1 3.69Å; R55-E97 PolarHBondContact NE-OE1 3.11Å; R55-E97 IonicContact NE-OE2 3.53Å; R55-E97 IonicContact NH2-OE1 3.67Å; R55-E97 PolarHBondContact NH2-OE1 3.03Å; R55-E97 IonicContact NH2-OE2 3.58Å; R55-E97 PolarHBondContact NH2-OE2 3.04Å
56	Q	75.1	Confident	68.6	Low	116 Å²	116	80.8 Å²	80.8	54%	0.542	41%	0.405	S	S	.	.	H	α-helix	trans	-91.6	-10.1	-175.4	-74.9	172	-15.7	0	0	114.6	Q52 R53 F54 Q58	Q52-Q56 WeakPolarHBondContact O-CB 3.39Å; Q52-Q56 VanDerWaalsContact O-CG 3.27Å; Q52-Q56 WeakPolarHBondContact O-CG 3.45Å; Q52-Q56 PolarHBondContact O-N 3.02Å; R53-Q56 PolarHBondContact O-N 2.9Å; F54-Q56 VanDerWaalsContact C-N 3.26Å; F54-Q56 PolarHBondContact O-N 3.16Å; Q56-Q58 PolarHBondContact O-N 3.25Å
57	F	75.9	Confident	69.6	Low	49 Å²	49	81.8 Å²	81.8	22%	0.215	40%	0.404	C	S	.	.			trans	-63.2	122.1	-177.3	175.2	-104.6	0	0	0	112.5	R53 A68 Q71 L72 L75	R53-F57 PolarHBondContact O-N 2.82Å; F57-A68 HydrophobicContact CZ-CB 4.29Å; F57-Q71 HydrophobicContact CE2-CB 3.84Å; F57-Q71 HydrophobicContact CZ-CB 4.33Å; F57-L72 HydrophobicContact CD1-CD1 4.14Å; F57-L72 HydrophobicContact CE1-CB 4.02Å; F57-L72 HydrophobicContact CE1-CD1 3.97Å; F57-L72 HydrophobicContact CZ-CB 4.3Å; F57-L75 HydrophobicContact CB-CD1 3.79Å; F57-L75 HydrophobicContact CD2-CD1 3.78Å; F57-L75 HydrophobicContact CG-CD1 3.91Å
58	Q	72	Confident	70.2	Confident	119 Å²	119	80 Å²	80	56%	0.556	39%	0.393	S	S	*	.			trans	-109.8	138.9	174.8	-50.8	-171.8	38.1	0	0	111.2	Q56 R60 D61	Q56-Q58 PolarHBondContact O-N 3.25Å; Q58-R60 PolarHBondContact O-N 2.74Å; Q58-D61 WeakPolarHBondContact CB-OD2 3.32Å; Q58-D61 PolarHBondContact N-OD2 3.34Å; Q58-D61 WeakPolarHBondContact O-CB 3.46Å; Q58-D61 PolarHBondContact O-N 3.14Å
59	Y	64.3	Low	70	Confident	146 Å²	146	86.2 Å²	86.2	57%	0.573	42%	0.419	S	S	*	.	G	3₁₀ helix	trans	-60.1	-17.3	176.4	-175.5	-94.4	0	0	0	113.6	D61 P65 A68	Y59-D61 VanDerWaalsContact C-N 3.28Å; Y59-D61 PolarHBondContact O-N 3Å; Y59-P65 WeakPolarHBondContact OH-CG 3.45Å; Y59-A68 HydrophobicContact CD2-CB 3.76Å; Y59-A68 HydrophobicContact CE2-CB 3.68Å
60	R	63.6	Low	70.1	Confident	224 Å²	224	87.1 Å²	87.1	85%	0.845	42%	0.424	S	S	*	.	G	3₁₀ helix	trans	-73.5	-17.2	175.8	-69.4	-175.6	171.9	-161.8	-3.2	113.8	Q58 A62	Q58-R60 PolarHBondContact O-N 2.74Å; R60-A62 VanDerWaalsContact C-N 3.29Å; R60-A62 PolarHBondContact O-N 3.45Å
61	D	62.7	Low	70.2	Confident	100 Å²	100	89.5 Å²	89.5	54%	0.535	43%	0.434	S	S	.	.	G	3₁₀ helix	trans	-85.6	-5.2	-174.4	-49.4	-32	0	0	0	112.3	Q58 Y59	Q58-D61 WeakPolarHBondContact CB-OD2 3.32Å; Q58-D61 PolarHBondContact N-OD2 3.34Å; Q58-D61 WeakPolarHBondContact O-CB 3.46Å; Q58-D61 PolarHBondContact O-N 3.14Å; Y59-D61 VanDerWaalsContact C-N 3.28Å; Y59-D61 PolarHBondContact O-N 3Å
62	A	65	Low	70.4	Confident	17 Å²	17	92.3 Å²	92.3	14%	0.14	45%	0.449	C	S	.	.	S	Bend	trans	-109.9	137.6	-177.3	0	0	0	0	0	112.4	R60 G64 E67 A68	R60-A62 VanDerWaalsContact C-N 3.29Å; R60-A62 PolarHBondContact O-N 3.45Å; A62-G64 PolarHBondContact O-N 3.08Å; A62-E67 HydrophobicContact CB-CB 4.45Å; A62-E67 HydrophobicContact CB-CG 4.35Å; A62-A68 HydrophobicContact CB-CB 3.69Å
63	A	69	Low	70.5	Confident	109 Å²	109	96.3 Å²	96.3	90%	0.901	46%	0.46	S	S	*	.	S	Bend	trans	-68.2	-0.3	-178.8	0	0	0	0	0	115.1
64	G	73.8	Confident	70.5	Confident	22 Å²	22	91.2 Å²	91.2	23%	0.227	45%	0.448	C	S	.	.	S	Bend	trans	168.2	175.1	175.7	0	0	0	0	0	112.9	A62 H66 E67 A68	A62-G64 PolarHBondContact O-N 3.08Å; G64-H66 VanDerWaalsContact C-N 3.33Å; G64-H66 PolarHBondContact O-N 3.42Å; G64-E67 PolarHBondContact O-N 3.18Å; G64-A68 PolarHBondContact O-N 3.43Å
65	P	64.3	Low	70.5	Confident	80 Å²	80	89.4 Å²	89.4	52%	0.519	44%	0.442	S	S	.	.	H	α-helix	trans	-59.1	-41.2	-174.4	-20.2	28.2	0	0	0	113.4	Y59 A68 F69	Y59-P65 WeakPolarHBondContact OH-CG 3.45Å; P65-A68 PolarHBondContact O-N 2.61Å; P65-F69 WeakPolarHBondContact O-CD2 3.47Å; P65-F69 PolarHBondContact O-N 2.77Å; P65-F69 VanDerWaalsContact O-N 3.08Å
66	H	63.4	Low	70.6	Confident	154 Å²	154	86.8 Å²	86.8	71%	0.713	44%	0.436	S	S	*	.	H	α-helix	trans	-64.2	-42.1	-180	-170.8	-77.2	0	0	0	111.6	G64 F69 S70	G64-H66 VanDerWaalsContact C-N 3.33Å; G64-H66 PolarHBondContact O-N 3.42Å; H66-F69 PolarHBondContact O-N 3.32Å; H66-S70 PolarHBondContact O-N 3.41Å; H66-S70 PolarHBondContact O-OG 3.18Å
67	E	73.4	Confident	70.5	Confident	80 Å²	80	82.6 Å²	82.6	37%	0.374	42%	0.419	S	S	.	.	H	α-helix	trans	-69.4	-38	178.1	-176.4	54.6	-158.5	0	0	111.6	A62 G64 F69 S70 Q71	A62-E67 HydrophobicContact CB-CB 4.45Å; A62-E67 HydrophobicContact CB-CG 4.35Å; G64-E67 PolarHBondContact O-N 3.18Å; E67-F69 VanDerWaalsContact C-N 3.28Å; E67-F69 PolarHBondContact O-N 2.77Å; E67-S70 WeakPolarHBondContact O-CB 3.43Å; E67-S70 PolarHBondContact O-N 3.34Å; E67-S70 VanDerWaalsContact O-N 3.17Å; E67-Q71 HydrophobicContact CG-CG 4.44Å; E67-Q71 WeakPolarHBondContact O-CG 3.5Å; E67-Q71 PolarHBondContact O-N 3.02Å; E67-Q71 WeakPolarHBondContact OE1-CG 3.45Å; E67-Q71 PolarHBondContact OE1-NE2 2.86Å
68	A	72.4	Confident	70.6	Confident	7 Å²	7	87.2 Å²	87.2	6%	0.058	44%	0.435	C	S	.	.	H	α-helix	trans	-59.3	-39.8	172.8	0	0	0	0	0	112	F57 Y59 A62 G64 P65 L72	F57-A68 HydrophobicContact CZ-CB 4.29Å; Y59-A68 HydrophobicContact CD2-CB 3.76Å; Y59-A68 HydrophobicContact CE2-CB 3.68Å; A62-A68 HydrophobicContact CB-CB 3.69Å; G64-A68 PolarHBondContact O-N 3.43Å; P65-A68 PolarHBondContact O-N 2.61Å; A68-L72 WeakPolarHBondContact O-CB 3.36Å; A68-L72 PolarHBondContact O-N 3.11Å
69	F	64.5	Low	70.9	Confident	153 Å²	153	82 Å²	82	67%	0.671	41%	0.41	S	S	*	.	H	α-helix	trans	-68.4	-41	173.7	-80.5	-64.9	0	0	0	112.8	P65 H66 E67 W73	P65-F69 WeakPolarHBondContact O-CD2 3.47Å; P65-F69 PolarHBondContact O-N 2.77Å; P65-F69 VanDerWaalsContact O-N 3.08Å; H66-F69 PolarHBondContact O-N 3.32Å; E67-F69 VanDerWaalsContact C-N 3.28Å; E67-F69 PolarHBondContact O-N 2.77Å; F69-W73 VanDerWaalsContact O-CB 3.23Å; F69-W73 WeakPolarHBondContact O-CB 3.42Å; F69-W73 PolarHBondContact O-N 2.97Å
70	S	72.6	Confident	71.4	Confident	50 Å²	50	76.1 Å²	76.1	35%	0.35	39%	0.389	S	S	.	.	H	α-helix	trans	-58.7	-47.9	174.4	-62.8	0	0	0	0	112.2	H66 E67 W73 A74	H66-S70 PolarHBondContact O-N 3.41Å; H66-S70 PolarHBondContact O-OG 3.18Å; E67-S70 WeakPolarHBondContact O-CB 3.43Å; E67-S70 PolarHBondContact O-N 3.34Å; E67-S70 VanDerWaalsContact O-N 3.17Å; S70-W73 PolarHBondContact O-N 2.63Å; S70-A74 WeakPolarHBondContact O-CB 3.39Å; S70-A74 PolarHBondContact O-N 3.21Å
71	Q	74.1	Confident	71.9	Confident	59 Å²	59	70.8 Å²	70.8	28%	0.276	37%	0.368	S	S	.	.	H	α-helix	trans	-68.6	-44.2	-178.5	-67.5	-179.4	10.9	0	0	111.8	F57 E67 W73 A74 L75	F57-Q71 HydrophobicContact CE2-CB 3.84Å; F57-Q71 HydrophobicContact CZ-CB 4.33Å; E67-Q71 HydrophobicContact CG-CG 4.44Å; E67-Q71 WeakPolarHBondContact O-CG 3.5Å; E67-Q71 PolarHBondContact O-N 3.02Å; E67-Q71 WeakPolarHBondContact OE1-CG 3.45Å; E67-Q71 PolarHBondContact OE1-NE2 2.86Å; Q71-W73 VanDerWaalsContact C-N 3.35Å; Q71-W73 PolarHBondContact O-N 3.38Å; Q71-A74 PolarHBondContact O-N 3.1Å; Q71-L75 WeakPolarHBondContact O-CG 3.34Å; Q71-L75 PolarHBondContact O-N 3.23Å
72	L	75.1	Confident	72.1	Confident	64 Å²	64	69.2 Å²	69.2	34%	0.335	36%	0.364	S	S	.	.	H	α-helix	trans	-63.1	-40.3	175.9	-174.8	146.8	0	0	0	111.6	F54 F57 A68 L75 C76	F54-L72 HydrophobicContact CE2-CG 4.34Å; F57-L72 HydrophobicContact CD1-CD1 4.14Å; F57-L72 HydrophobicContact CE1-CB 4.02Å; F57-L72 HydrophobicContact CE1-CD1 3.97Å; F57-L72 HydrophobicContact CZ-CB 4.3Å; A68-L72 WeakPolarHBondContact O-CB 3.36Å; A68-L72 PolarHBondContact O-N 3.11Å; L72-L75 PolarHBondContact O-N 3.41Å; L72-C76 PolarHBondContact O-N 3.41Å; L72-C76 PolarHBondContact O-SG 2.97Å; L72-C76 VanDerWaalsContact O-SG 3.33Å
73	W	74.8	Confident	72.4	Confident	185 Å²	185	74.5 Å²	74.5	70%	0.701	39%	0.385	S	S	*	.	H	α-helix	trans	-59.7	-47.3	172.3	177.9	-100.2	0	0	0	111.7	F69 S70 Q71 L75 C76 C77	F69-W73 VanDerWaalsContact O-CB 3.23Å; F69-W73 WeakPolarHBondContact O-CB 3.42Å; F69-W73 PolarHBondContact O-N 2.97Å; S70-W73 PolarHBondContact O-N 2.63Å; Q71-W73 VanDerWaalsContact C-N 3.35Å; Q71-W73 PolarHBondContact O-N 3.38Å; W73-L75 VanDerWaalsContact C-N 3.26Å; W73-L75 PolarHBondContact O-N 3.15Å; W73-C76 WeakPolarHBondContact O-CB 3.3Å; W73-C76 PolarHBondContact O-N 3.49Å; W73-C77 PolarHBondContact O-N 3.15Å
74	A	75.3	Confident	72.2	Confident	37 Å²	37	74.8 Å²	74.8	31%	0.306	37%	0.371	S	S	.	.	H	α-helix	trans	-65.5	-25.4	177.5	0	0	0	0	0	113.6	S70 Q71 R78	S70-A74 WeakPolarHBondContact O-CB 3.39Å; S70-A74 PolarHBondContact O-N 3.21Å; Q71-A74 PolarHBondContact O-N 3.1Å; A74-R78 WeakPolarHBondContact O-CG 3.23Å; A74-R78 PolarHBondContact O-N 2.94Å; A74-R78 PolarHBondContact O-NE 3.17Å
75	L	77.4	Confident	71.9	Confident	23 Å²	23	76.3 Å²	76.3	12%	0.12	37%	0.369	C	S	.	.	H	α-helix	trans	-76.2	-44.3	170.5	-71.2	169.7	0	0	0	111.5	R53 F54 F57 Q71 L72 W73 C77 R78 W79	R53-L75 HydrophobicContact CB-CD2 4.05Å; F54-L75 HydrophobicContact CD2-CB 4.16Å; F57-L75 HydrophobicContact CB-CD1 3.79Å; F57-L75 HydrophobicContact CD2-CD1 3.78Å; F57-L75 HydrophobicContact CG-CD1 3.91Å; Q71-L75 WeakPolarHBondContact O-CG 3.34Å; Q71-L75 PolarHBondContact O-N 3.23Å; L72-L75 PolarHBondContact O-N 3.41Å; W73-L75 VanDerWaalsContact C-N 3.26Å; W73-L75 PolarHBondContact O-N 3.15Å; L75-C77 PolarHBondContact O-N 3.22Å; L75-R78 PolarHBondContact O-N 2.99Å; L75-W79 PolarHBondContact O-N 3.1Å
76	C	75.1	Confident	72.4	Confident	29 Å²	29	77.9 Å²	77.9	20%	0.196	37%	0.373	C	S	.	.	H	α-helix	trans	-57.4	-46.1	174.9	-73.2	0	0	0	0	112.5	F54 L72 W73 W79 L80	F54-C76 VanDerWaalsContact CE2-SG 3.56Å; L72-C76 PolarHBondContact O-N 3.41Å; L72-C76 PolarHBondContact O-SG 2.97Å; L72-C76 VanDerWaalsContact O-SG 3.33Å; W73-C76 WeakPolarHBondContact O-CB 3.3Å; W73-C76 PolarHBondContact O-N 3.49Å; C76-W79 PolarHBondContact O-N 2.69Å; C76-L80 WeakPolarHBondContact O-CB 3.44Å; C76-L80 PolarHBondContact O-N 3.39Å
77	C	73	Confident	72.3	Confident	27 Å²	27	79 Å²	79	18%	0.182	38%	0.376	C	S	.	.	H	α-helix	trans	-60.6	-45.7	175	-76.1	0	0	0	0	111.9	W73 L75 W79 R81	W73-C77 PolarHBondContact O-N 3.15Å; L75-C77 PolarHBondContact O-N 3.22Å; C77-W79 PolarHBondContact O-N 3.17Å; C77-R81 VanDerWaalsContact O-CA 3.25Å; C77-R81 WeakPolarHBondContact O-CA 3.39Å; C77-R81 PolarHBondContact O-N 2.9Å
78	R	76.8	Confident	72.1	Confident	146 Å²	146	82.2 Å²	82.2	55%	0.551	39%	0.391	S	S	*	.	H	α-helix	trans	-66.7	-33.4	179.9	-78.8	179.2	-75.6	-169.1	-1.6	113.8	A74 L75	A74-R78 WeakPolarHBondContact O-CG 3.23Å; A74-R78 PolarHBondContact O-N 2.94Å; A74-R78 PolarHBondContact O-NE 3.17Å; L75-R78 PolarHBondContact O-N 2.99Å
79	W	78.4	Confident	71.7	Confident	9 Å²	9	86.4 Å²	86.4	3%	0.034	41%	0.409	C	S	.	.	H	α-helix	trans	-78.5	-54.7	176.3	171.1	39.8	0	0	0	112.4	R51 F54 L75 C76 C77 R85 L94 E97	R51-W79 HydrophobicContact CB-CG 4.32Å; R51-W79 HydrophobicContact CG-CD2 4.48Å; R51-W79 HydrophobicContact CG-CZ2 4.23Å; F54-W79 AromaticContact CD1-CE3 3.88Å; F54-W79 HydrophobicContact CD1-CE3 3.88Å; F54-W79 AromaticContact CD1-CZ3 3.83Å; F54-W79 HydrophobicContact CD1-CZ3 3.83Å; F54-W79 HydrophobicContact CE1-CE3 4.19Å; F54-W79 AromaticContact CE1-CZ3 3.75Å; F54-W79 HydrophobicContact CE1-CZ3 3.75Å; F54-W79 HydrophobicContact CG-CE3 4.11Å; F54-W79 HydrophobicContact CG-CZ3 4.48Å; F54-W79 HydrophobicContact CZ-CZ3 4.34Å; L75-W79 PolarHBondContact O-N 3.1Å; C76-W79 PolarHBondContact O-N 2.69Å; C77-W79 PolarHBondContact O-N 3.17Å; W79-R85 PolarHBondContact O-NH1 3.11Å; W79-L94 HydrophobicContact CH2-CD2 3.78Å; W79-L94 HydrophobicContact CZ3-CD2 4.02Å; W79-E97 HydrophobicContact CH2-CB 3.85Å; W79-E97 HydrophobicContact CH2-CG 3.86Å; W79-E97 HydrophobicContact CZ2-CB 3.89Å; W79-E97 HydrophobicContact CZ2-CG 4.14Å
80	L	74.8	Confident	72.1	Confident	24 Å²	24	80.6 Å²	80.6	13%	0.126	39%	0.385	C	S	.	.	H	α-helix	trans	-81.7	-25.8	-171.7	-60	176.4	0	0	0	113.2	C76 R85 I90 L93 L94	C76-L80 WeakPolarHBondContact O-CB 3.44Å; C76-L80 PolarHBondContact O-N 3.39Å; L80-R85 WeakPolarHBondContact O-CD 3.35Å; L80-R85 PolarHBondContact O-NH1 3.46Å; L80-I90 HydrophobicContact CB-CG2 4.49Å; L80-I90 HydrophobicContact CD1-CG2 4.31Å; L80-I90 HydrophobicContact CD2-CG2 4.43Å; L80-L93 HydrophobicContact CD2-CB 4.37Å; L80-L94 HydrophobicContact CD1-CD2 4.34Å; L80-L94 HydrophobicContact CD2-CD2 4.13Å; L80-L94 HydrophobicContact CD2-CG 4.21Å
81	R	74.7	Confident	71.9	Confident	111 Å²	111	83 Å²	83	42%	0.419	39%	0.393	S	S	.	.			trans	47.5	57.2	-178.4	-57.5	-177	71.8	-177.7	3.6	112.9	C77 E83 I84 R85	C77-R81 VanDerWaalsContact O-CA 3.25Å; C77-R81 WeakPolarHBondContact O-CA 3.39Å; C77-R81 PolarHBondContact O-N 2.9Å; R81-E83 VanDerWaalsContact CA-OE2 3.23Å; R81-E83 WeakPolarHBondContact CA-OE2 3.07Å; R81-E83 PolarHBondContact O-N 3.02Å; R81-I84 PolarHBondContact O-N 3.46Å; R81-R85 PolarHBondContact O-N 2.86Å
82	P	66.9	Low	71.9	Confident	68 Å²	68	85.1 Å²	85.1	44%	0.442	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-8.1	-176.6	30.9	-37.7	0	0	0	114.2	I84 I90	P82-I84 VanDerWaalsContact C-N 3.3Å; P82-I90 HydrophobicContact CB-CD1 4.02Å
83	E	70.1	Confident	71.8	Confident	127 Å²	127	82.8 Å²	82.8	59%	0.593	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-17.5	173.5	-46.9	74.8	-161.5	0	0	112.3	R81	R81-E83 VanDerWaalsContact CA-OE2 3.23Å; R81-E83 WeakPolarHBondContact CA-OE2 3.07Å; R81-E83 PolarHBondContact O-N 3.02Å
84	I	64.9	Low	71.7	Confident	115 Å²	115	77.4 Å²	77.4	59%	0.59	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129.1	-34.7	-172.5	-63.5	165.8	0	0	0	111.9	R81 P82	R81-I84 PolarHBondContact O-N 3.46Å; P82-I84 VanDerWaalsContact C-N 3.3Å
85	R	68.9	Low	71.6	Confident	54 Å²	54	79.4 Å²	79.4	20%	0.204	38%	0.384	C	S	.	.	S	Bend	trans	-88.1	136.7	-176.9	-64.9	-161.8	-177.1	110.8	-15	112.7	W79 L80 R81 Q89 I90 L93	W79-R85 PolarHBondContact O-NH1 3.11Å; L80-R85 WeakPolarHBondContact O-CD 3.35Å; L80-R85 PolarHBondContact O-NH1 3.46Å; R81-R85 PolarHBondContact O-N 2.86Å; R85-Q89 HydrophobicContact CB-CB 4.18Å; R85-I90 HydrophobicContact CB-CD1 4.44Å; R85-I90 HydrophobicContact CB-CG1 3.82Å; R85-I90 WeakPolarHBondContact O-CD1 3.24Å; R85-L93 VanDerWaalsContact CD-CD1 3.48Å
86	L	73.4	Confident	71.5	Confident	113 Å²	113	78.3 Å²	78.3	59%	0.592	38%	0.378	S	S	*	.			trans	-66.4	155.6	171.3	-64.4	177.5	0	0	0	110.9	E88 Q89 I90	L86-E88 PolarHBondContact O-N 2.84Å; L86-E88 VanDerWaalsContact O-N 3.11Å; L86-Q89 HydrophobicContact CB-CG 4.4Å; L86-Q89 WeakPolarHBondContact O-CB 3.38Å; L86-Q89 PolarHBondContact O-N 2.89Å; L86-I90 WeakPolarHBondContact O-CG1 3.5Å; L86-I90 PolarHBondContact O-N 2.69Å
87	K	62.5	Low	71.7	Confident	177 Å²	177	78 Å²	78	77%	0.77	37%	0.373	S	S	*	.	H	α-helix	trans	-55.3	-34.3	-178.3	-67.9	178.2	-178.4	172.4	0	113.3	L91	K87-L91 VanDerWaalsContact O-CG 3.29Å; K87-L91 WeakPolarHBondContact O-CG 3.34Å; K87-L91 PolarHBondContact O-N 3.41Å
88	E	67.6	Low	71.8	Confident	148 Å²	148	82.1 Å²	82.1	69%	0.692	39%	0.39	S	S	*	.	H	α-helix	trans	-68	-46.1	176.7	-69.5	160.1	-177.3	0	0	110.9	L86 I90 L91 E92	L86-E88 PolarHBondContact O-N 2.84Å; L86-E88 VanDerWaalsContact O-N 3.11Å; E88-I90 VanDerWaalsContact C-N 3.32Å; E88-I90 PolarHBondContact O-N 3.04Å; E88-L91 WeakPolarHBondContact O-CB 3.25Å; E88-L91 PolarHBondContact O-N 2.99Å; E88-L91 VanDerWaalsContact O-N 3.11Å; E88-E92 PolarHBondContact O-N 3.31Å
89	Q	65.3	Low	71.5	Confident	96 Å²	96	78.2 Å²	78.2	45%	0.449	38%	0.377	S	S	.	.	H	α-helix	trans	-63.4	-34.6	174.8	-63.4	167	-22.5	0	0	112.8	R85 L86 L93	R85-Q89 HydrophobicContact CB-CB 4.18Å; L86-Q89 HydrophobicContact CB-CG 4.4Å; L86-Q89 WeakPolarHBondContact O-CB 3.38Å; L86-Q89 PolarHBondContact O-N 2.89Å; Q89-L93 WeakPolarHBondContact O-CG 3.41Å; Q89-L93 PolarHBondContact O-N 3.19Å
90	I	72.8	Confident	71.3	Confident	30 Å²	30	77.9 Å²	77.9	15%	0.154	38%	0.376	C	S	.	.	H	α-helix	trans	-67.2	-40.8	173.4	-63.2	168.5	0	0	0	110.5	L80 P82 R85 L86 E88 L93 L94	L80-I90 HydrophobicContact CB-CG2 4.49Å; L80-I90 HydrophobicContact CD1-CG2 4.31Å; L80-I90 HydrophobicContact CD2-CG2 4.43Å; P82-I90 HydrophobicContact CB-CD1 4.02Å; R85-I90 HydrophobicContact CB-CD1 4.44Å; R85-I90 HydrophobicContact CB-CG1 3.82Å; R85-I90 WeakPolarHBondContact O-CD1 3.24Å; L86-I90 WeakPolarHBondContact O-CG1 3.5Å; L86-I90 PolarHBondContact O-N 2.69Å; E88-I90 VanDerWaalsContact C-N 3.32Å; E88-I90 PolarHBondContact O-N 3.04Å; I90-L93 PolarHBondContact O-N 2.67Å; I90-L94 HydrophobicContact CG2-CD1 4.09Å; I90-L94 VanDerWaalsContact O-CG 3.32Å; I90-L94 WeakPolarHBondContact O-CG 3.43Å; I90-L94 PolarHBondContact O-N 3.44Å
91	L	68.8	Low	71.1	Confident	101 Å²	101	80.1 Å²	80.1	53%	0.529	39%	0.391	S	S	.	.	H	α-helix	trans	-64.5	-43.4	175.7	-74.3	167.5	0	0	0	111.4	K87 E88 L93 L94 V95	K87-L91 VanDerWaalsContact O-CG 3.29Å; K87-L91 WeakPolarHBondContact O-CG 3.34Å; K87-L91 PolarHBondContact O-N 3.41Å; E88-L91 WeakPolarHBondContact O-CB 3.25Å; E88-L91 PolarHBondContact O-N 2.99Å; E88-L91 VanDerWaalsContact O-N 3.11Å; L91-L93 VanDerWaalsContact C-N 3.34Å; L91-L93 PolarHBondContact O-N 3.37Å; L91-L94 PolarHBondContact O-N 2.86Å; L91-L94 VanDerWaalsContact O-N 3.16Å; L91-V95 WeakPolarHBondContact O-CB 3.42Å; L91-V95 WeakPolarHBondContact O-CG2 3.48Å; L91-V95 PolarHBondContact O-N 2.66Å
92	E	74.4	Confident	71.1	Confident	103 Å²	103	80.9 Å²	80.9	48%	0.481	40%	0.402	S	S	.	.	H	α-helix	trans	-60.2	-40.1	176.3	-70.6	-50.8	130.1	0	0	112.7	E88 L94 V95 L96	E88-E92 PolarHBondContact O-N 3.31Å; E92-L94 VanDerWaalsContact C-N 3.33Å; E92-L94 PolarHBondContact O-N 2.92Å; E92-V95 PolarHBondContact O-N 3.27Å; E92-L96 WeakPolarHBondContact O-CB 3.4Å; E92-L96 PolarHBondContact O-N 3.3Å
93	L	72.2	Confident	71.4	Confident	16 Å²	16	78.8 Å²	78.8	8%	0.084	39%	0.387	C	S	.	.	H	α-helix	trans	-66.6	-32.6	176.2	-72.1	169.4	0	0	0	113.5	R51 L80 R85 Q89 I90 L91 E97	R51-L93 PolarHBondContact NH2-O 3.48Å; L80-L93 HydrophobicContact CD2-CB 4.37Å; R85-L93 VanDerWaalsContact CD-CD1 3.48Å; Q89-L93 WeakPolarHBondContact O-CG 3.41Å; Q89-L93 PolarHBondContact O-N 3.19Å; I90-L93 PolarHBondContact O-N 2.67Å; L91-L93 VanDerWaalsContact C-N 3.34Å; L91-L93 PolarHBondContact O-N 3.37Å; L93-E97 PolarHBondContact O-N 3.01Å; L93-E97 VanDerWaalsContact O-N 3.11Å
94	L	72.8	Confident	71.6	Confident	72 Å²	72	76.4 Å²	76.4	38%	0.377	38%	0.382	S	S	.	.	H	α-helix	trans	-75.4	-38.1	174.1	-68.2	166.5	0	0	0	111.9	W79 L80 I90 L91 E92 E97 Q98	W79-L94 HydrophobicContact CH2-CD2 3.78Å; W79-L94 HydrophobicContact CZ3-CD2 4.02Å; L80-L94 HydrophobicContact CD1-CD2 4.34Å; L80-L94 HydrophobicContact CD2-CD2 4.13Å; L80-L94 HydrophobicContact CD2-CG 4.21Å; I90-L94 HydrophobicContact CG2-CD1 4.09Å; I90-L94 VanDerWaalsContact O-CG 3.32Å; I90-L94 WeakPolarHBondContact O-CG 3.43Å; I90-L94 PolarHBondContact O-N 3.44Å; L91-L94 PolarHBondContact O-N 2.86Å; L91-L94 VanDerWaalsContact O-N 3.16Å; E92-L94 VanDerWaalsContact C-N 3.33Å; E92-L94 PolarHBondContact O-N 2.92Å; L94-E97 PolarHBondContact O-N 3.4Å; L94-Q98 WeakPolarHBondContact O-CB 3.41Å; L94-Q98 PolarHBondContact O-N 3.08Å
95	V	72	Confident	72.1	Confident	78 Å²	78	80 Å²	80	47%	0.473	39%	0.388	S	S	.	.	H	α-helix	trans	-65.1	-44	174	167.4	0	0	0	0	110.3	L91 E92 E97 Q98 F99	L91-V95 WeakPolarHBondContact O-CB 3.42Å; L91-V95 WeakPolarHBondContact O-CG2 3.48Å; L91-V95 PolarHBondContact O-N 2.66Å; E92-V95 PolarHBondContact O-N 3.27Å; V95-E97 PolarHBondContact O-N 3.29Å; V95-Q98 CarbonylContact O-C 3.57Å; V95-Q98 PolarHBondContact O-N 2.88Å; V95-F99 WeakPolarHBondContact O-CB 3.3Å; V95-F99 PolarHBondContact O-N 3.18Å
96	L	76.9	Confident	72.5	Confident	0 Å²	0	83.3 Å²	83.3	0%	0	41%	0.407	C	S	.	.	H	α-helix	trans	-60.5	-42.1	173.7	173.2	58.7	0	0	0	111.9	E92 F99 L100 P116 E117 A122	E92-L96 WeakPolarHBondContact O-CB 3.4Å; E92-L96 PolarHBondContact O-N 3.3Å; L96-F99 PolarHBondContact O-N 3.42Å; L96-L100 HydrophobicContact CD1-CD1 3.91Å; L96-L100 HydrophobicContact CD1-CG 3.95Å; L96-L100 HydrophobicContact CG-CD1 4.14Å; L96-L100 WeakPolarHBondContact O-CB 3.34Å; L96-L100 VanDerWaalsContact O-CG 3.28Å; L96-L100 WeakPolarHBondContact O-CG 3.37Å; L96-L100 PolarHBondContact O-N 2.75Å; L96-P116 HydrophobicContact CD1-CG 4.44Å; L96-P116 WeakPolarHBondContact CD2-O 3.31Å; L96-E117 WeakPolarHBondContact CD2-O 3.39Å; L96-A122 HydrophobicContact CD1-CB 3.36Å
97	E	78.5	Confident	72.6	Confident	22 Å²	22	78.4 Å²	78.4	10%	0.103	38%	0.381	C	S	.	.	H	α-helix	trans	-63.5	-41.7	173.6	-170.5	61.9	-156.5	0	0	112	R51 R55 W79 L93 L94 V95 F99 T101	R51-E97 WeakPolarHBondContact CD-OE2 3.45Å; R51-E97 WeakPolarHBondContact CG-OE2 3.47Å; R51-E97 IonicContact CZ-OE2 2.7Å; R51-E97 IonicContact NE-OE2 2.81Å; R51-E97 PolarHBondContact NE-OE2 3.31Å; R55-E97 IonicContact CZ-OE1 2.84Å; R55-E97 IonicContact CZ-OE2 2.83Å; R55-E97 IonicContact NE-OE1 3.69Å; R55-E97 PolarHBondContact NE-OE1 3.11Å; R55-E97 IonicContact NE-OE2 3.53Å; R55-E97 IonicContact NH2-OE1 3.67Å; R55-E97 PolarHBondContact NH2-OE1 3.03Å; R55-E97 IonicContact NH2-OE2 3.58Å; R55-E97 PolarHBondContact NH2-OE2 3.04Å; W79-E97 HydrophobicContact CH2-CB 3.85Å; W79-E97 HydrophobicContact CH2-CG 3.86Å; W79-E97 HydrophobicContact CZ2-CB 3.89Å; W79-E97 HydrophobicContact CZ2-CG 4.14Å; L93-E97 PolarHBondContact O-N 3.01Å; L93-E97 VanDerWaalsContact O-N 3.11Å; L94-E97 PolarHBondContact O-N 3.4Å; V95-E97 PolarHBondContact O-N 3.29Å; E97-F99 VanDerWaalsContact C-N 3.31Å; E97-F99 PolarHBondContact O-N 3.14Å; E97-T101 WeakPolarHBondContact O-CG2 3.44Å; E97-T101 PolarHBondContact O-N 3.41Å; E97-T101 VanDerWaalsContact O-N 3.15Å; E97-T101 PolarHBondContact O-OG1 3.3Å
98	Q	75.3	Confident	73.4	Confident	115 Å²	115	71.8 Å²	71.8	54%	0.537	35%	0.353	S	S	.	.	H	α-helix	trans	-68.6	-30.4	177.1	-173.1	58	94.7	0	0	112.4	L94 V95 T101 I102	L94-Q98 WeakPolarHBondContact O-CB 3.41Å; L94-Q98 PolarHBondContact O-N 3.08Å; V95-Q98 CarbonylContact O-C 3.57Å; V95-Q98 PolarHBondContact O-N 2.88Å; Q98-T101 WeakPolarHBondContact CA-OG1 3.5Å; Q98-T101 PolarHBondContact NE2-OG1 2.99Å; Q98-T101 VanDerWaalsContact NE2-OG1 3.16Å; Q98-T101 PolarHBondContact O-OG1 3.35Å; Q98-T101 VanDerWaalsContact O-OG1 3.09Å; Q98-I102 HydrophobicContact CG-CD1 4.22Å; Q98-I102 VanDerWaalsContact O-CD1 3.25Å; Q98-I102 WeakPolarHBondContact O-CD1 3.41Å; Q98-I102 VanDerWaalsContact O-CG1 3.25Å; Q98-I102 WeakPolarHBondContact O-CG1 3.27Å
99	F	71	Confident	74	Confident	64 Å²	64	68.9 Å²	68.9	28%	0.281	35%	0.346	S	S	.	.	H	α-helix	trans	-70.1	-52.5	173.8	-178.2	-103.4	0	0	0	111	V95 L96 E97 T101 I102 L103 A122 V123 V126	V95-F99 WeakPolarHBondContact O-CB 3.3Å; V95-F99 PolarHBondContact O-N 3.18Å; L96-F99 PolarHBondContact O-N 3.42Å; E97-F99 VanDerWaalsContact C-N 3.31Å; E97-F99 PolarHBondContact O-N 3.14Å; F99-T101 PolarHBondContact O-N 3.1Å; F99-T101 VanDerWaalsContact O-N 3.12Å; F99-I102 PolarHBondContact O-N 3.19Å; F99-L103 HydrophobicContact CE1-CD1 4.26Å; F99-L103 HydrophobicContact CE1-CD2 4.29Å; F99-L103 HydrophobicContact CZ-CD2 4.17Å; F99-L103 PolarHBondContact O-N 3.16Å; F99-A122 HydrophobicContact CD1-CB 3.91Å; F99-A122 HydrophobicContact CE1-CB 3.89Å; F99-V123 HydrophobicContact CE1-CG2 4.25Å; F99-V123 HydrophobicContact CE2-CG2 4.12Å; F99-V123 HydrophobicContact CZ-CG2 3.75Å; F99-V126 HydrophobicContact CE1-CG2 4Å; F99-V126 HydrophobicContact CZ-CG2 4.06Å
100	L	73	Confident	74.7	Confident	1 Å²	1	66.5 Å²	66.5	1%	0.005	33%	0.333	C	S	.	.	H	α-helix	trans	-60.7	-22.9	179.4	-69.5	173.5	0	0	0	113.5	L96 L103 Q108 V111 Q112 P116	L96-L100 HydrophobicContact CD1-CD1 3.91Å; L96-L100 HydrophobicContact CD1-CG 3.95Å; L96-L100 HydrophobicContact CG-CD1 4.14Å; L96-L100 WeakPolarHBondContact O-CB 3.34Å; L96-L100 VanDerWaalsContact O-CG 3.28Å; L96-L100 WeakPolarHBondContact O-CG 3.37Å; L96-L100 PolarHBondContact O-N 2.75Å; L100-L103 HydrophobicContact CD2-CD1 4.26Å; L100-Q108 PolarHBondContact O-NE2 3.19Å; L100-V111 HydrophobicContact CD2-CB 4.43Å; L100-V111 HydrophobicContact CD2-CG1 3.61Å; L100-Q112 HydrophobicContact CD2-CG 4.39Å; L100-P116 HydrophobicContact CD2-CG 4.32Å
101	T	72.1	Confident	75	Confident	72 Å²	72	65.1 Å²	65.1	44%	0.442	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-8.6	176	46.5	0	0	0	0	114.6	E97 Q98 F99	E97-T101 WeakPolarHBondContact O-CG2 3.44Å; E97-T101 PolarHBondContact O-N 3.41Å; E97-T101 VanDerWaalsContact O-N 3.15Å; E97-T101 PolarHBondContact O-OG1 3.3Å; Q98-T101 WeakPolarHBondContact CA-OG1 3.5Å; Q98-T101 PolarHBondContact NE2-OG1 2.99Å; Q98-T101 VanDerWaalsContact NE2-OG1 3.16Å; Q98-T101 PolarHBondContact O-OG1 3.35Å; Q98-T101 VanDerWaalsContact O-OG1 3.09Å; F99-T101 PolarHBondContact O-N 3.1Å; F99-T101 VanDerWaalsContact O-N 3.12Å
102	I	73.4	Confident	75.4	Confident	126 Å²	126	62.7 Å²	62.7	65%	0.646	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.4	-19.4	179	-70.7	169.9	0	0	0	112.5	Q98 F99	Q98-I102 HydrophobicContact CG-CD1 4.22Å; Q98-I102 VanDerWaalsContact O-CD1 3.25Å; Q98-I102 WeakPolarHBondContact O-CD1 3.41Å; Q98-I102 VanDerWaalsContact O-CG1 3.25Å; Q98-I102 WeakPolarHBondContact O-CG1 3.27Å; F99-I102 PolarHBondContact O-N 3.19Å
103	L	73.7	Confident	75.7	Confident	25 Å²	25	61.5 Å²	61.5	13%	0.131	32%	0.315	C	S	.	.	S	Bend	trans	-62.3	145.9	179.9	-64	176.4	0	0	0	112.7	F99 L100 V107 Q108 V111 V126	F99-L103 HydrophobicContact CE1-CD1 4.26Å; F99-L103 HydrophobicContact CE1-CD2 4.29Å; F99-L103 HydrophobicContact CZ-CD2 4.17Å; F99-L103 PolarHBondContact O-N 3.16Å; L100-L103 HydrophobicContact CD2-CD1 4.26Å; L103-V107 HydrophobicContact CB-CB 4.49Å; L103-V107 HydrophobicContact CD1-CG1 4.4Å; L103-V107 HydrophobicContact CD2-CG1 4.46Å; L103-Q108 HydrophobicContact CB-CB 4.05Å; L103-V111 HydrophobicContact CD1-CB 4.26Å; L103-V111 HydrophobicContact CD1-CG1 4.41Å; L103-V111 HydrophobicContact CD1-CG2 4.21Å; L103-V126 HydrophobicContact CD1-CG2 3.89Å; L103-V126 HydrophobicContact CD2-CG2 3.82Å
104	P	74.4	Confident	76	Confident	76 Å²	76	66 Å²	66	49%	0.494	33%	0.33	S	S	.	.			trans	-55.1	148.5	167.8	-21.8	32.7	0	0	0	111	E106 V107 Q108	P104-E106 WeakPolarHBondContact CB-OE2 3.48Å; P104-E106 PolarHBondContact O-N 3.05Å; P104-E106 VanDerWaalsContact O-N 3.07Å; P104-V107 HydrophobicContact CB-CG2 4.25Å; P104-V107 HydrophobicContact CG-CG2 4.28Å; P104-V107 PolarHBondContact O-N 2.91Å; P104-Q108 VanDerWaalsContact O-CB 3.25Å; P104-Q108 WeakPolarHBondContact O-CB 3.47Å; P104-Q108 PolarHBondContact O-N 3.45Å
105	R	74.4	Confident	76.2	Confident	190 Å²	190	68.1 Å²	68.1	72%	0.717	34%	0.338	S	S	*	.	H	α-helix	trans	-56.5	-33.8	-170	-74.5	-179.4	171.5	-85.4	0.9	113.4	T109	R105-T109 WeakPolarHBondContact O-CG2 3.37Å; R105-T109 PolarHBondContact O-N 2.91Å; R105-T109 VanDerWaalsContact O-N 3.12Å; R105-T109 PolarHBondContact O-OG1 3.32Å; R105-T109 VanDerWaalsContact O-OG1 3.12Å
106	E	77.9	Confident	76.4	Confident	125 Å²	125	64.5 Å²	64.5	58%	0.584	32%	0.316	S	S	*	.	H	α-helix	trans	-73.2	-36.8	-176.8	-53.9	68.7	-148.5	0	0	111.4	P104 T109	P104-E106 WeakPolarHBondContact CB-OE2 3.48Å; P104-E106 PolarHBondContact O-N 3.05Å; P104-E106 VanDerWaalsContact O-N 3.07Å; E106-T109 PolarHBondContact O-OG1 3.14Å
107	V	76.3	Confident	76.3	Confident	10 Å²	10	70.3 Å²	70.3	6%	0.061	34%	0.343	C	S	.	.	H	α-helix	trans	-80.5	-39.2	174.5	-169.4	0	0	0	0	110	L103 P104 T109 W110 V111 V126 W129	L103-V107 HydrophobicContact CB-CB 4.49Å; L103-V107 HydrophobicContact CD1-CG1 4.4Å; L103-V107 HydrophobicContact CD2-CG1 4.46Å; P104-V107 HydrophobicContact CB-CG2 4.25Å; P104-V107 HydrophobicContact CG-CG2 4.28Å; P104-V107 PolarHBondContact O-N 2.91Å; V107-T109 PolarHBondContact O-N 2.89Å; V107-W110 PolarHBondContact O-N 2.78Å; V107-V111 HydrophobicContact CG1-CG2 4Å; V107-V111 WeakPolarHBondContact O-CB 3.3Å; V107-V111 VanDerWaalsContact O-CG2 3.28Å; V107-V111 WeakPolarHBondContact O-CG2 3.5Å; V107-V111 PolarHBondContact O-N 3.34Å; V107-V126 HydrophobicContact CG1-CG1 4.48Å; V107-V126 HydrophobicContact CG1-CG2 4.05Å; V107-W129 HydrophobicContact CG1-CD2 4.3Å; V107-W129 HydrophobicContact CG1-CE3 4.31Å; V107-W129 HydrophobicContact CG2-CD2 4.02Å; V107-W129 HydrophobicContact CG2-CE3 3.81Å; V107-W129 HydrophobicContact CG2-CH2 3.62Å; V107-W129 HydrophobicContact CG2-CZ2 3.81Å; V107-W129 HydrophobicContact CG2-CZ3 3.62Å
108	Q	78.9	Confident	76	Confident	37 Å²	37	71.4 Å²	71.4	17%	0.173	35%	0.354	C	S	.	.	H	α-helix	trans	-57.9	-48.9	-179.9	178.6	175.6	63.7	0	0	111.7	L100 L103 P104 Q112	L100-Q108 PolarHBondContact O-NE2 3.19Å; L103-Q108 HydrophobicContact CB-CB 4.05Å; P104-Q108 VanDerWaalsContact O-CB 3.25Å; P104-Q108 WeakPolarHBondContact O-CB 3.47Å; P104-Q108 PolarHBondContact O-N 3.45Å; Q108-Q112 HydrophobicContact CG-CG 4.49Å; Q108-Q112 WeakPolarHBondContact O-CB 3.44Å; Q108-Q112 WeakPolarHBondContact O-CG 3.29Å; Q108-Q112 PolarHBondContact O-N 3.34Å
109	T	78.9	Confident	75.7	Confident	88 Å²	88	66.7 Å²	66.7	54%	0.54	34%	0.335	S	S	.	.	H	α-helix	trans	-66.7	-41.1	178.4	50.8	0	0	0	0	112.2	R105 E106 V107 S113	R105-T109 WeakPolarHBondContact O-CG2 3.37Å; R105-T109 PolarHBondContact O-N 2.91Å; R105-T109 VanDerWaalsContact O-N 3.12Å; R105-T109 PolarHBondContact O-OG1 3.32Å; R105-T109 VanDerWaalsContact O-OG1 3.12Å; E106-T109 PolarHBondContact O-OG1 3.14Å; V107-T109 PolarHBondContact O-N 2.89Å; T109-S113 WeakPolarHBondContact O-CB 3.44Å; T109-S113 PolarHBondContact O-N 3.48Å
110	W	80.4	Confident	75.8	Confident	46 Å²	46	71.6 Å²	71.6	17%	0.174	36%	0.359	C	S	.	.	H	α-helix	trans	-63.2	-46.8	177.5	-172.5	107.7	0	0	0	111.4	V107 S113 L125 D128 W129 E132	V107-W110 PolarHBondContact O-N 2.78Å; W110-S113 PolarHBondContact O-N 3.11Å; W110-S113 PolarHBondContact O-OG 2.89Å; W110-L125 HydrophobicContact CH2-CD2 4.48Å; W110-L125 WeakPolarHBondContact CH2-O 3.21Å; W110-L125 HydrophobicContact CZ3-CB 3.99Å; W110-L125 HydrophobicContact CZ3-CD2 4.11Å; W110-L125 WeakPolarHBondContact CZ3-O 3.17Å; W110-D128 HydrophobicContact CH2-CB 4.09Å; W110-W129 AromaticContact CD1-CD1 3.64Å; W110-W129 HydrophobicContact CD2-CB 4.13Å; W110-W129 AromaticContact CD2-CD1 3.63Å; W110-W129 HydrophobicContact CD2-CG 4.24Å; W110-W129 AromaticContact CE2-CD1 3.7Å; W110-W129 HydrophobicContact CE3-CB 3.99Å; W110-W129 HydrophobicContact CE3-CG 4.47Å; W110-W129 AromaticContact CG-CD1 3.56Å; W110-W129 HydrophobicContact CH2-CB 3.9Å; W110-W129 HydrophobicContact CZ2-CB 4.01Å; W110-W129 HydrophobicContact CZ3-CB 3.91Å; W110-W129 AromaticContact NE1-CD1 3.72Å; W110-E132 WeakPolarHBondContact CZ2-OE1 3.39Å; W110-E132 WeakPolarHBondContact CZ2-OE2 3.46Å
111	V	79.2	Confident	76.1	Confident	0 Å²	0	75.3 Å²	75.3	0%	0	38%	0.377	C	S	.	.	H	α-helix	trans	-69.5	-41.2	179.3	176.5	0	0	0	0	111.1	L100 L103 V107 S113 R114 H115 P116 A122 L125 V126	L100-V111 HydrophobicContact CD2-CB 4.43Å; L100-V111 HydrophobicContact CD2-CG1 3.61Å; L103-V111 HydrophobicContact CD1-CB 4.26Å; L103-V111 HydrophobicContact CD1-CG1 4.41Å; L103-V111 HydrophobicContact CD1-CG2 4.21Å; V107-V111 HydrophobicContact CG1-CG2 4Å; V107-V111 WeakPolarHBondContact O-CB 3.3Å; V107-V111 VanDerWaalsContact O-CG2 3.28Å; V107-V111 WeakPolarHBondContact O-CG2 3.5Å; V107-V111 PolarHBondContact O-N 3.34Å; V111-S113 VanDerWaalsContact C-N 3.27Å; V111-S113 PolarHBondContact O-N 3.13Å; V111-R114 PolarHBondContact O-N 3.36Å; V111-H115 PolarHBondContact O-N 3.09Å; V111-P116 HydrophobicContact CG1-CG 4.02Å; V111-P116 VanDerWaalsContact O-CD 3.25Å; V111-P116 WeakPolarHBondContact O-CD 3.22Å; V111-A122 HydrophobicContact CG1-CB 4.47Å; V111-L125 HydrophobicContact CG1-CB 4.22Å; V111-L125 HydrophobicContact CG1-CD1 4.22Å; V111-L125 HydrophobicContact CG2-CB 4.29Å; V111-V126 HydrophobicContact CG2-CG2 3.72Å
112	Q	78.6	Confident	76.3	Confident	50 Å²	50	71.9 Å²	71.9	23%	0.234	36%	0.356	C	S	.	.	H	α-helix	trans	-64.3	-30.6	175.7	-73.1	173.5	0.3	0	0	112.6	L100 Q108 R114 H115	L100-Q112 HydrophobicContact CD2-CG 4.39Å; Q108-Q112 HydrophobicContact CG-CG 4.49Å; Q108-Q112 WeakPolarHBondContact O-CB 3.44Å; Q108-Q112 WeakPolarHBondContact O-CG 3.29Å; Q108-Q112 PolarHBondContact O-N 3.34Å; Q112-R114 VanDerWaalsContact C-N 3.26Å; Q112-R114 PolarHBondContact O-N 3.17Å; Q112-H115 PolarHBondContact O-CE1 3.34Å; Q112-H115 PolarHBondContact O-N 2.84Å; Q112-H115 PolarHBondContact O-ND1 3.41Å
113	S	78.9	Confident	76.4	Confident	79 Å²	79	69 Å²	69	55%	0.552	34%	0.344	S	S	*	.	H	α-helix	trans	-70.1	-18.4	176	76.2	0	0	0	0	114.5	T109 W110 V111	T109-S113 WeakPolarHBondContact O-CB 3.44Å; T109-S113 PolarHBondContact O-N 3.48Å; W110-S113 PolarHBondContact O-N 3.11Å; W110-S113 PolarHBondContact O-OG 2.89Å; V111-S113 VanDerWaalsContact C-N 3.27Å; V111-S113 PolarHBondContact O-N 3.13Å
114	R	79.4	Confident	76.7	Confident	109 Å²	109	69.9 Å²	69.9	41%	0.411	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.9	6.8	175.2	-66.2	-176.6	179.9	-165.1	11.2	113.2	V111 Q112 L125 E132	V111-R114 PolarHBondContact O-N 3.36Å; Q112-R114 VanDerWaalsContact C-N 3.26Å; Q112-R114 PolarHBondContact O-N 3.17Å; R114-L125 HydrophobicContact CB-CD1 3.83Å; R114-L125 HydrophobicContact CB-CD2 4.06Å; R114-L125 HydrophobicContact CG-CD2 4.47Å; R114-E132 IonicContact CZ-OE1 3.48Å; R114-E132 IonicContact NH1-OE1 3.37Å; R114-E132 IonicContact NH2-OE1 2.69Å; R114-E132 PolarHBondContact NH2-OE1 3.12Å; R114-E132 IonicContact NH2-OE2 2.74Å
115	H	77.7	Confident	77.2	Confident	117 Å²	117	67.2 Å²	67.2	54%	0.542	34%	0.336	S	S	.	.			trans	48.5	54.1	167	-56.8	-32.9	0	0	0	117.5	V111 Q112 E117	V111-H115 PolarHBondContact O-N 3.09Å; Q112-H115 PolarHBondContact O-CE1 3.34Å; Q112-H115 PolarHBondContact O-N 2.84Å; Q112-H115 PolarHBondContact O-ND1 3.41Å; H115-E117 PolarHBondContact O-N 3.21Å
116	P	76.3	Confident	77.5	Confident	2 Å²	2	59.9 Å²	59.9	1%	0.013	31%	0.312	C	S	.	.			trans	-61.1	132.1	179.5	24.9	-34.2	0	0	0	113.1	L96 L100 V111 E121 A122 L125	L96-P116 HydrophobicContact CD1-CG 4.44Å; L96-P116 WeakPolarHBondContact CD2-O 3.31Å; L100-P116 HydrophobicContact CD2-CG 4.32Å; V111-P116 HydrophobicContact CG1-CG 4.02Å; V111-P116 VanDerWaalsContact O-CD 3.25Å; V111-P116 WeakPolarHBondContact O-CD 3.22Å; P116-E121 WeakPolarHBondContact CA-OE2 3.37Å; P116-E121 HydrophobicContact CB-CB 4.22Å; P116-E121 HydrophobicContact CB-CG 3.93Å; P116-A122 HydrophobicContact CB-CB 3.87Å; P116-A122 HydrophobicContact CG-CB 3.86Å; P116-L125 HydrophobicContact CB-CD1 4Å; P116-L125 HydrophobicContact CG-CD1 4.08Å
117	E	73.4	Confident	77.7	Confident	122 Å²	122	58.5 Å²	58.5	57%	0.57	31%	0.306	S	S	*	.	S	Bend	trans	-90	-22.9	174.6	-60.5	-149.9	139.2	0	0	112.4	L96 H115 E121	L96-E117 WeakPolarHBondContact CD2-O 3.39Å; H115-E117 PolarHBondContact O-N 3.21Å; E117-E121 PolarHBondContact N-OE2 2.87Å
118	S	73.1	Confident	78.1	Confident	46 Å²	46	60.7 Å²	60.7	32%	0.322	32%	0.317	S	S	.	.	S	Bend	trans	-122.4	158.3	-179.7	73.4	0	0	0	0	114.4	E120 E121 A122	S118-E120 VanDerWaalsContact C-N 3.32Å; S118-E121 PolarHBondContact N-OE2 3.24Å; S118-E121 WeakPolarHBondContact OG-CB 3.39Å; S118-E121 PolarHBondContact OG-N 2.97Å; S118-E121 VanDerWaalsContact OG-N 3.14Å; S118-A122 PolarHBondContact O-N 3.13Å; S118-A122 VanDerWaalsContact O-N 3.12Å
119	G	69.1	Low	78.3	Confident	15 Å²	15	62.3 Å²	62.3	16%	0.155	32%	0.322	C	S	.	.	H	α-helix	trans	-63.4	-37	174.1	0	0	0	0	0	112.9	A122 V123	G119-A122 PolarHBondContact O-N 3.47Å; G119-V123 WeakPolarHBondContact O-CG2 3.37Å; G119-V123 PolarHBondContact O-N 2.89Å; G119-V123 VanDerWaalsContact O-N 3.08Å
120	E	73.1	Confident	78.2	Confident	167 Å²	167	62.7 Å²	62.7	78%	0.78	32%	0.317	S	S	*	.	H	α-helix	trans	-65.3	-44.6	178.5	-58.7	-176.3	156.2	0	0	111.4	S118 V123 A124	S118-E120 VanDerWaalsContact C-N 3.32Å; E120-V123 PolarHBondContact O-N 3.05Å; E120-A124 PolarHBondContact O-N 2.92Å
121	E	78.8	Confident	78	Confident	80 Å²	80	65.5 Å²	65.5	37%	0.374	33%	0.328	S	S	.	.	H	α-helix	trans	-63.3	-43.1	175.3	-176.6	-179.4	-158.3	0	0	112.2	P116 E117 S118 V123 A124 L125	P116-E121 WeakPolarHBondContact CA-OE2 3.37Å; P116-E121 HydrophobicContact CB-CB 4.22Å; P116-E121 HydrophobicContact CB-CG 3.93Å; E117-E121 PolarHBondContact N-OE2 2.87Å; S118-E121 PolarHBondContact N-OE2 3.24Å; S118-E121 WeakPolarHBondContact OG-CB 3.39Å; S118-E121 PolarHBondContact OG-N 2.97Å; S118-E121 VanDerWaalsContact OG-N 3.14Å; E121-V123 VanDerWaalsContact C-N 3.27Å; E121-V123 PolarHBondContact O-N 3.07Å; E121-A124 PolarHBondContact O-N 3.19Å; E121-L125 HydrophobicContact CG-CD1 4.48Å; E121-L125 WeakPolarHBondContact O-CB 3.44Å; E121-L125 VanDerWaalsContact O-CG 3.28Å; E121-L125 WeakPolarHBondContact O-CG 3.45Å; E121-L125 PolarHBondContact O-N 3.38Å
122	A	76.8	Confident	77.9	Confident	0 Å²	0	69.4 Å²	69.4	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-63.3	-32.6	175.3	0	0	0	0	0	112.9	L96 F99 V111 P116 S118 G119 V126	L96-A122 HydrophobicContact CD1-CB 3.36Å; F99-A122 HydrophobicContact CD1-CB 3.91Å; F99-A122 HydrophobicContact CE1-CB 3.89Å; V111-A122 HydrophobicContact CG1-CB 4.47Å; P116-A122 HydrophobicContact CB-CB 3.87Å; P116-A122 HydrophobicContact CG-CB 3.86Å; S118-A122 PolarHBondContact O-N 3.13Å; S118-A122 VanDerWaalsContact O-N 3.12Å; G119-A122 PolarHBondContact O-N 3.47Å; A122-V126 VanDerWaalsContact O-CG2 3.31Å; A122-V126 WeakPolarHBondContact O-CG2 3.28Å; A122-V126 PolarHBondContact O-N 3.44Å; A122-V126 VanDerWaalsContact O-N 3.13Å
123	V	74.5	Confident	77.3	Confident	65 Å²	65	69.7 Å²	69.7	39%	0.394	35%	0.351	S	S	.	.	H	α-helix	trans	-70.6	-45.8	172.6	170.4	0	0	0	0	110.9	F99 G119 E120 E121 L125 V126 E127	F99-V123 HydrophobicContact CE1-CG2 4.25Å; F99-V123 HydrophobicContact CE2-CG2 4.12Å; F99-V123 HydrophobicContact CZ-CG2 3.75Å; G119-V123 WeakPolarHBondContact O-CG2 3.37Å; G119-V123 PolarHBondContact O-N 2.89Å; G119-V123 VanDerWaalsContact O-N 3.08Å; E120-V123 PolarHBondContact O-N 3.05Å; E121-V123 VanDerWaalsContact C-N 3.27Å; E121-V123 PolarHBondContact O-N 3.07Å; V123-L125 VanDerWaalsContact C-N 3.29Å; V123-L125 PolarHBondContact O-N 3.02Å; V123-V126 PolarHBondContact O-N 3.21Å; V123-V126 VanDerWaalsContact O-N 3.13Å; V123-E127 PolarHBondContact O-N 3.43Å
124	A	80.6	Confident	76.4	Confident	43 Å²	43	72 Å²	72	36%	0.355	35%	0.348	S	S	.	.	H	α-helix	trans	-57.7	-42.3	176.4	0	0	0	0	0	111.9	E120 E121 E127 D128	E120-A124 PolarHBondContact O-N 2.92Å; E121-A124 PolarHBondContact O-N 3.19Å; A124-E127 WeakPolarHBondContact O-CB 3.41Å; A124-E127 PolarHBondContact O-N 2.8Å; A124-D128 PolarHBondContact O-N 2.95Å
125	L	84.6	Confident	75.2	Confident	20 Å²	20	72 Å²	72	11%	0.105	36%	0.36	C	S	.	.	H	α-helix	trans	-61.4	-44.2	173.5	-74.3	179.3	0	0	0	112.8	W110 V111 R114 P116 E121 V123 E127 D128 W129	W110-L125 HydrophobicContact CH2-CD2 4.48Å; W110-L125 WeakPolarHBondContact CH2-O 3.21Å; W110-L125 HydrophobicContact CZ3-CB 3.99Å; W110-L125 HydrophobicContact CZ3-CD2 4.11Å; W110-L125 WeakPolarHBondContact CZ3-O 3.17Å; V111-L125 HydrophobicContact CG1-CB 4.22Å; V111-L125 HydrophobicContact CG1-CD1 4.22Å; V111-L125 HydrophobicContact CG2-CB 4.29Å; R114-L125 HydrophobicContact CB-CD1 3.83Å; R114-L125 HydrophobicContact CB-CD2 4.06Å; R114-L125 HydrophobicContact CG-CD2 4.47Å; P116-L125 HydrophobicContact CB-CD1 4Å; P116-L125 HydrophobicContact CG-CD1 4.08Å; E121-L125 HydrophobicContact CG-CD1 4.48Å; E121-L125 WeakPolarHBondContact O-CB 3.44Å; E121-L125 VanDerWaalsContact O-CG 3.28Å; E121-L125 WeakPolarHBondContact O-CG 3.45Å; E121-L125 PolarHBondContact O-N 3.38Å; V123-L125 VanDerWaalsContact C-N 3.29Å; V123-L125 PolarHBondContact O-N 3.02Å; L125-E127 VanDerWaalsContact C-N 3.29Å; L125-E127 PolarHBondContact O-N 2.51Å; L125-D128 PolarHBondContact O-N 3.4Å; L125-W129 PolarHBondContact O-N 3.14Å
126	V	80.2	Confident	74.2	Confident	36 Å²	36	70.4 Å²	70.4	22%	0.218	37%	0.367	C	S	.	.	H	α-helix	trans	-62.8	-37.5	174.4	170.3	0	0	0	0	111.4	F99 L103 V107 V111 A122 V123 H130	F99-V126 HydrophobicContact CE1-CG2 4Å; F99-V126 HydrophobicContact CZ-CG2 4.06Å; L103-V126 HydrophobicContact CD1-CG2 3.89Å; L103-V126 HydrophobicContact CD2-CG2 3.82Å; V107-V126 HydrophobicContact CG1-CG1 4.48Å; V107-V126 HydrophobicContact CG1-CG2 4.05Å; V111-V126 HydrophobicContact CG2-CG2 3.72Å; A122-V126 VanDerWaalsContact O-CG2 3.31Å; A122-V126 WeakPolarHBondContact O-CG2 3.28Å; A122-V126 PolarHBondContact O-N 3.44Å; A122-V126 VanDerWaalsContact O-N 3.13Å; V123-V126 PolarHBondContact O-N 3.21Å; V123-V126 VanDerWaalsContact O-N 3.13Å; V126-H130 WeakPolarHBondContact O-CB 3.27Å; V126-H130 PolarHBondContact O-N 3.07Å
127	E	83.2	Confident	72.9	Confident	97 Å²	97	73 Å²	73	45%	0.453	39%	0.394	S	S	.	.	H	α-helix	trans	-67.4	-39.7	173.9	-70.1	-164.4	176.8	0	0	113	V123 A124 L125 H130 R131	V123-E127 PolarHBondContact O-N 3.43Å; A124-E127 WeakPolarHBondContact O-CB 3.41Å; A124-E127 PolarHBondContact O-N 2.8Å; L125-E127 VanDerWaalsContact C-N 3.29Å; L125-E127 PolarHBondContact O-N 2.51Å; E127-H130 CarbonylContact O-C 3.49Å; E127-H130 VanDerWaalsContact O-C 3.29Å; E127-H130 WeakPolarHBondContact O-CA 3.3Å; E127-H130 PolarHBondContact O-N 3.1Å; E127-H130 VanDerWaalsContact O-N 3.14Å; E127-R131 WeakPolarHBondContact O-CG 3.21Å; E127-R131 PolarHBondContact O-N 3.21Å; E127-R131 IonicContact OE2-CZ 3.61Å; E127-R131 IonicContact OE2-NH1 2.73Å; E127-R131 PolarHBondContact OE2-NH1 2.77Å; E127-R131 IonicContact OE2-NH2 3.68Å
128	D	85	Confident	71.3	Confident	55 Å²	55	72.9 Å²	72.9	29%	0.294	39%	0.394	S	S	.	.	H	α-helix	trans	-65	-43.1	176.3	-78.2	-25.2	0	0	0	111.5	W110 A124 L125 H130 R131 E132	W110-D128 HydrophobicContact CH2-CB 4.09Å; A124-D128 PolarHBondContact O-N 2.95Å; L125-D128 PolarHBondContact O-N 3.4Å; D128-H130 PolarHBondContact O-N 2.78Å; D128-R131 CarbonylContact O-C 3.25Å; D128-R131 WeakPolarHBondContact O-CA 3.46Å; D128-R131 WeakPolarHBondContact O-CB 3.37Å; D128-R131 PolarHBondContact O-N 2.85Å; D128-R131 IonicContact OD1-CZ 3.14Å; D128-R131 IonicContact OD1-NE 3.97Å; D128-R131 PolarHBondContact OD1-NE 3.38Å; D128-R131 IonicContact OD1-NH2 3.67Å; D128-R131 PolarHBondContact OD1-NH2 3.18Å; D128-E132 WeakPolarHBondContact O-CB 3.28Å; D128-E132 WeakPolarHBondContact O-CG 3.49Å; D128-E132 PolarHBondContact O-N 3.5Å
129	W	82.8	Confident	70	Confident	72 Å²	72	76.5 Å²	76.5	27%	0.273	42%	0.416	S	S	.	.	H	α-helix	trans	-57.2	-39.8	170	-177.4	85.8	0	0	0	111.6	V107 W110 L125 R131 T133	V107-W129 HydrophobicContact CG1-CD2 4.3Å; V107-W129 HydrophobicContact CG1-CE3 4.31Å; V107-W129 HydrophobicContact CG2-CD2 4.02Å; V107-W129 HydrophobicContact CG2-CE3 3.81Å; V107-W129 HydrophobicContact CG2-CH2 3.62Å; V107-W129 HydrophobicContact CG2-CZ2 3.81Å; V107-W129 HydrophobicContact CG2-CZ3 3.62Å; W110-W129 AromaticContact CD1-CD1 3.64Å; W110-W129 HydrophobicContact CD2-CB 4.13Å; W110-W129 AromaticContact CD2-CD1 3.63Å; W110-W129 HydrophobicContact CD2-CG 4.24Å; W110-W129 AromaticContact CE2-CD1 3.7Å; W110-W129 HydrophobicContact CE3-CB 3.99Å; W110-W129 HydrophobicContact CE3-CG 4.47Å; W110-W129 AromaticContact CG-CD1 3.56Å; W110-W129 HydrophobicContact CH2-CB 3.9Å; W110-W129 HydrophobicContact CZ2-CB 4.01Å; W110-W129 HydrophobicContact CZ3-CB 3.91Å; W110-W129 AromaticContact NE1-CD1 3.72Å; L125-W129 PolarHBondContact O-N 3.14Å; W129-R131 VanDerWaalsContact C-N 3.28Å; W129-R131 PolarHBondContact O-N 3.33Å; W129-T133 HydrophobicContact CD2-CG2 4.01Å; W129-T133 HydrophobicContact CE3-CG2 4.37Å; W129-T133 HydrophobicContact CH2-CG2 4.13Å; W129-T133 HydrophobicContact CZ2-CG2 3.76Å; W129-T133 HydrophobicContact CZ3-CG2 4.42Å; W129-T133 WeakPolarHBondContact O-CB 3.42Å; W129-T133 WeakPolarHBondContact O-CG2 3.43Å; W129-T133 PolarHBondContact O-N 3.32Å; W129-T133 PolarHBondContact O-OG1 3.24Å
130	H	75.6	Confident	68.8	Low	96 Å²	96	84.1 Å²	84.1	44%	0.444	45%	0.448	S	S	.	.	H	α-helix	trans	-77.3	-6.4	174.8	-173.9	-129.7	0	0	0	114.1	V126 E127 D128 T133 R134	V126-H130 WeakPolarHBondContact O-CB 3.27Å; V126-H130 PolarHBondContact O-N 3.07Å; E127-H130 CarbonylContact O-C 3.49Å; E127-H130 VanDerWaalsContact O-C 3.29Å; E127-H130 WeakPolarHBondContact O-CA 3.3Å; E127-H130 PolarHBondContact O-N 3.1Å; E127-H130 VanDerWaalsContact O-N 3.14Å; D128-H130 PolarHBondContact O-N 2.78Å; H130-T133 WeakPolarHBondContact CA-OG1 3.45Å; H130-R134 PolarHBondContact ND1-NH2 2.74Å; H130-R134 PolarHBondContact NE2-NE 2.66Å; H130-R134 VanDerWaalsContact O-CZ 3.29Å; H130-R134 PolarHBondContact O-NE 2.91Å; H130-R134 PolarHBondContact O-NH2 2.73Å
131	R	77.9	Confident	67.1	Low	104 Å²	104	84.3 Å²	84.3	39%	0.392	45%	0.453	S	S	.	.	H	α-helix	trans	-90.2	-53.8	166.3	-74.6	-179.9	-85.9	-94.5	3.9	109.4	E127 D128 W129 T133 R134 T135	E127-R131 WeakPolarHBondContact O-CG 3.21Å; E127-R131 PolarHBondContact O-N 3.21Å; E127-R131 IonicContact OE2-CZ 3.61Å; E127-R131 IonicContact OE2-NH1 2.73Å; E127-R131 PolarHBondContact OE2-NH1 2.77Å; E127-R131 IonicContact OE2-NH2 3.68Å; D128-R131 CarbonylContact O-C 3.25Å; D128-R131 WeakPolarHBondContact O-CA 3.46Å; D128-R131 WeakPolarHBondContact O-CB 3.37Å; D128-R131 PolarHBondContact O-N 2.85Å; D128-R131 IonicContact OD1-CZ 3.14Å; D128-R131 IonicContact OD1-NE 3.97Å; D128-R131 PolarHBondContact OD1-NE 3.38Å; D128-R131 IonicContact OD1-NH2 3.67Å; D128-R131 PolarHBondContact OD1-NH2 3.18Å; W129-R131 VanDerWaalsContact C-N 3.28Å; W129-R131 PolarHBondContact O-N 3.33Å; R131-T133 VanDerWaalsContact C-N 3.32Å; R131-T133 PolarHBondContact O-N 3.14Å; R131-R134 PolarHBondContact O-N 3.1Å; R131-T135 PolarHBondContact O-N 2.96Å; R131-T135 PolarHBondContact O-OG1 3.41Å
132	E	76.2	Confident	65	Low	83 Å²	83	88.8 Å²	88.8	39%	0.388	47%	0.474	S	S	.	.	H	α-helix	trans	-52.8	-44.1	176.3	-71.3	-179.5	-162.2	0	0	112.3	W110 R114 D128 R134 T135 A136	W110-E132 WeakPolarHBondContact CZ2-OE1 3.39Å; W110-E132 WeakPolarHBondContact CZ2-OE2 3.46Å; R114-E132 IonicContact CZ-OE1 3.48Å; R114-E132 IonicContact NH1-OE1 3.37Å; R114-E132 IonicContact NH2-OE1 2.69Å; R114-E132 PolarHBondContact NH2-OE1 3.12Å; R114-E132 IonicContact NH2-OE2 2.74Å; D128-E132 WeakPolarHBondContact O-CB 3.28Å; D128-E132 WeakPolarHBondContact O-CG 3.49Å; D128-E132 PolarHBondContact O-N 3.5Å; E132-R134 PolarHBondContact O-N 3.19Å; E132-T135 PolarHBondContact O-OG1 3.04Å; E132-T135 VanDerWaalsContact O-OG1 3.06Å; E132-A136 VanDerWaalsContact O-CB 3.27Å; E132-A136 WeakPolarHBondContact O-CB 3.44Å; E132-A136 PolarHBondContact O-N 3.4Å
133	T	65.4	Low	63.1	Low	55 Å²	55	96.4 Å²	96.4	34%	0.337	51%	0.514	S	S	.	.	H	α-helix	trans	-71.8	-24.4	177.8	49.4	0	0	0	0	114.4	W129 H130 R131 G137	W129-T133 HydrophobicContact CD2-CG2 4.01Å; W129-T133 HydrophobicContact CE3-CG2 4.37Å; W129-T133 HydrophobicContact CH2-CG2 4.13Å; W129-T133 HydrophobicContact CZ2-CG2 3.76Å; W129-T133 HydrophobicContact CZ3-CG2 4.42Å; W129-T133 WeakPolarHBondContact O-CB 3.42Å; W129-T133 WeakPolarHBondContact O-CG2 3.43Å; W129-T133 PolarHBondContact O-N 3.32Å; W129-T133 PolarHBondContact O-OG1 3.24Å; H130-T133 WeakPolarHBondContact CA-OG1 3.45Å; R131-T133 VanDerWaalsContact C-N 3.32Å; R131-T133 PolarHBondContact O-N 3.14Å; T133-G137 PolarHBondContact O-N 2.9Å; T133-G137 VanDerWaalsContact O-N 3.15Å
134	R	60.5	Low	60.8	Low	129 Å²	129	103.8 Å²	103.8	49%	0.487	54%	0.536	S	S	.	.	H	α-helix	trans	-80.9	-38.6	173.4	-87.1	-177.1	-70.4	148.6	3.7	112	H130 R131 E132 G137 Q138	H130-R134 PolarHBondContact ND1-NH2 2.74Å; H130-R134 PolarHBondContact NE2-NE 2.66Å; H130-R134 VanDerWaalsContact O-CZ 3.29Å; H130-R134 PolarHBondContact O-NE 2.91Å; H130-R134 PolarHBondContact O-NH2 2.73Å; R131-R134 PolarHBondContact O-N 3.1Å; E132-R134 PolarHBondContact O-N 3.19Å; R134-G137 CarbonylContact O-C 3.58Å; R134-G137 PolarHBondContact O-N 3.06Å; R134-G137 VanDerWaalsContact O-N 3.14Å; R134-Q138 PolarHBondContact O-N 3.11Å
135	T	55.2	Low	58.2	Low	108 Å²	108	107.6 Å²	107.6	66%	0.663	56%	0.555	S	S	*	*	H	α-helix	trans	-68.8	-38.5	174.2	51.8	0	0	0	0	111.9	R131 E132 G137 Q138	R131-T135 PolarHBondContact O-N 2.96Å; R131-T135 PolarHBondContact O-OG1 3.41Å; E132-T135 PolarHBondContact O-OG1 3.04Å; E132-T135 VanDerWaalsContact O-OG1 3.06Å; T135-G137 PolarHBondContact O-N 3.31Å; T135-Q138 PolarHBondContact O-N 3.48Å
136	A	56	Low	55.6	Low	83 Å²	83	114.8 Å²	114.8	69%	0.686	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68	-21.2	169.8	0	0	0	0	0	113.3	E132	E132-A136 VanDerWaalsContact O-CB 3.27Å; E132-A136 WeakPolarHBondContact O-CB 3.44Å; E132-A136 PolarHBondContact O-N 3.4Å
137	G	48.7	Very low	53.3	Low	57 Å²	57	122.5 Å²	122.5	59%	0.588	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.9	-4.5	178.6	0	0	0	0	0	115.5	T133 R134 T135	T133-G137 PolarHBondContact O-N 2.9Å; T133-G137 VanDerWaalsContact O-N 3.15Å; R134-G137 CarbonylContact O-C 3.58Å; R134-G137 PolarHBondContact O-N 3.06Å; R134-G137 VanDerWaalsContact O-N 3.14Å; T135-G137 PolarHBondContact O-N 3.31Å
138	Q	40.2	Very low	50.6	Low	120 Å²	120	123.2 Å²	123.2	56%	0.561	63%	0.633	S	S	*	*			trans	-118.5	85.4	176	-77.4	-171.6	-96.9	0	0	112.9	R134 T135	R134-Q138 PolarHBondContact O-N 3.11Å; T135-Q138 PolarHBondContact O-N 3.48Å
139	P	46.3	Very low	47.9	Very low	121 Å²	121	132 Å²	132	79%	0.786	66%	0.662	S	S	*	*	S	Bend	trans	-111.9	25.5	150.8	38.1	-31.6	0	0	0	112.3
140	E	43.2	Very low	45.7	Very low	176 Å²	176	133.8 Å²	133.8	82%	0.822	68%	0.683	S	S	*	*	S	Bend	trans	-149.8	151.3	172.1	-115.7	169.3	-163.8	0	0	111.4
141	L	37.7	Very low	43.3	Very low	171 Å²	171	136.1 Å²	136.1	90%	0.895	70%	0.698	S	S	*	*			trans	72.2	44.9	172.3	-145.5	77.9	0	0	0	119.4
142	E	33.7	Very low	40.9	Very low	173 Å²	173	139.8 Å²	139.8	81%	0.808	72%	0.717	S	S	*	*			trans	-129.4	100.8	147.1	-82.3	-164.2	-179.5	0	0	111.6
143	L	38.2	Very low	38.4	Very low	160 Å²	160	142.6 Å²	142.6	84%	0.838	74%	0.74	S	S	*	*			trans	-169.8	145.8	158.3	-104.4	172.9	0	0	0	106.7
144	Y	26.6	Very low	36.5	Very low	221 Å²	221	142.6 Å²	142.6	87%	0.867	75%	0.751	S	S	*	*			trans	66.5	126.3	-162.8	-60	-88.1	0	0	0	112.9
145	T	25.4	Very low	34.8	Very low	123 Å²	123	145.3 Å²	145.3	76%	0.755	77%	0.769	S	S	*	*			cis	-151.8	166.8	-7.6	41.1	0	0	0	0	106.8
146	E	30.1	Very low	33.5	Very low	170 Å²	170	148.8 Å²	148.8	79%	0.794	78%	0.777	S	S	*	*			cis	-146	152.6	24.3	-59.9	171.7	105.4	0	0	110.9
147	E	30.5	Very low	32.2	Very low	198 Å²	198	148.7 Å²	148.7	93%	0.925	77%	0.772	S	S	*	*			trans	-146.6	128.3	146.6	-149.4	175.4	-141.2	0	0	109.1
148	T	27	Very low	31.2	Very low	112 Å²	112	154.9 Å²	154.9	69%	0.687	79%	0.786	S	S	*	*			trans	-131.1	111.1	-175.5	50.2	0	0	0	0	112.9
149	R	28.7	Very low	30.4	Very low	239 Å²	239	154.7 Å²	154.7	90%	0.902	80%	0.797	S	S	*	*			trans	160.4	151.6	139.3	-88.9	161.5	-167.7	-166.7	6.4	111.4
150	P	36.8	Very low	29.4	Very low	110 Å²	110	157.9 Å²	157.9	71%	0.714	80%	0.799	S	S	*	*				-142.5	158.3	-51	35.6	-16.6	0	0	0	115.2
151	L	25	Very low	28.8	Very low	145 Å²	145	157.2 Å²	157.2	76%	0.759	80%	0.796	S	S	*	*			trans	74.2	124.6	150	-115.6	75.3	0	0	0	121.9
152	K	26.7	Very low	28.8	Very low	182 Å²	182	154.7 Å²	154.7	79%	0.791	79%	0.79	S	S	*	*			trans	67.6	147.1	157.7	-61	174	-178.7	179	0	115.9
153	T	24.6	Very low	28.7	Very low	142 Å²	142	154.3 Å²	154.3	87%	0.871	79%	0.788	S	S	*	*			cis	-152.2	158.7	-0	-2.9	0	0	0	0	105.1
154	G	25.3	Very low	28.7	Very low	55 Å²	55	152.4 Å²	152.4	57%	0.567	79%	0.785	S	S	*	*			cis	153.5	160.8	23	0	0	0	0	0	106.6
155	E	25.5	Very low	28.6	Very low	185 Å²	185	150.7 Å²	150.7	86%	0.864	79%	0.788	S	S	*	*			trans	65	121.6	171.4	-68.2	151.1	155	0	0	116.7
156	E	26.8	Very low	28.9	Very low	181 Å²	181	151.8 Å²	151.8	85%	0.846	79%	0.789	S	S	*	*				67.9	136.7	84.1	-69.3	-164.7	-169.7	0	0	115.2
157	S	28.3	Very low	29.5	Very low	81 Å²	81	150.1 Å²	150.1	57%	0.566	79%	0.792	S	S	*	*			cis	-167.3	149.7	3.3	-108.2	0	0	0	0	113.1
158	Q	29.3	Very low	29.2	Very low	188 Å²	188	152.5 Å²	152.5	88%	0.879	79%	0.793	S	S	*	*			trans	63.6	160.2	154.6	-57.2	167.7	26.5	0	0	118.1
159	S	22.6	Very low	31.1	Very low	115 Å²	115	151.6 Å²	151.6	80%	0.804	79%	0.789	S	S	*	*			cis	-150.2	-171.6	9.6	-163.7	0	0	0	0	113
160	F	24.4	Very low	31.1	Very low	188 Å²	188	149.2 Å²	149.2	83%	0.825	79%	0.788	S	S	*	*			trans	-97.1	150.7	-171.3	-84.4	-113.9	0	0	0	116.5
161	Q	31.8	Very low	30.8	Very low	162 Å²	162	147.4 Å²	147.4	76%	0.757	79%	0.79	S	S	*	*			trans	39.1	161.9	135.6	-68.5	-80.7	-35.7	0	0	121.7
162	P	38.1	Very low	31.1	Very low	118 Å²	118	149.7 Å²	149.7	77%	0.766	80%	0.797	S	S	*	*			cis	-144.9	-165.2	23.8	44	-21.8	0	0	0	118.7
163	Q	31.3	Very low	31.4	Very low	166 Å²	166	145.8 Å²	145.8	78%	0.776	79%	0.792	S	S	*	*			trans	-79.1	169.5	173.8	-70.9	-87.9	-11.9	0	0	114.7
164	P	37	Very low	31.8	Very low	120 Å²	120	146.6 Å²	146.6	78%	0.779	79%	0.786	S	S	*	*				-163	150.4	102.3	40.7	-19.8	0	0	0	122
165	M	24.4	Very low	32.3	Very low	185 Å²	185	152.7 Å²	152.7	91%	0.911	80%	0.797	S	S	*	*			trans	61	157.7	138.1	-90.3	-169.4	-177.8	0	0	128.3
166	D	33.5	Very low	32.5	Very low	146 Å²	146	154 Å²	154	78%	0.781	80%	0.8	S	S	*	*			trans	-97.9	-177.1	-176.6	-35.4	-103.3	0	0	0	116.6
167	P	41.3	Very low	32.4	Very low	134 Å²	134	148.5 Å²	148.5	87%	0.87	79%	0.791	S	S	*	*			trans	-140.8	169.7	136.7	34.5	-17.5	0	0	0	117.7
168	W	25.4	Very low	32.2	Very low	248 Å²	248	151 Å²	151	94%	0.939	80%	0.803	S	S	*	*			trans	-136.1	-160.9	-172.9	-148.4	17.1	0	0	0	110.6
169	P	65.5	Low	32.1	Very low	93 Å²	93	150.4 Å²	150.4	60%	0.604	80%	0.797	S	S	*	*			cis	-144.6	-135.7	13.1	41.9	-15.5	0	0	0	116.7
170	E	29.8	Very low	32.3	Very low	190 Å²	190	152 Å²	152	89%	0.888	80%	0.797	S	S	*	*			trans	84.1	139.6	165.7	-53	-169.4	142.5	0	0	121.5
171	G	29.7	Very low	32.3	Very low	72 Å²	72	149.3 Å²	149.3	74%	0.742	80%	0.796	S	S	*	*			cis	170.5	122.7	-15.8	0	0	0	0	0	118.4
172	Q	31.6	Very low	32.5	Very low	193 Å²	193	146.8 Å²	146.8	90%	0.902	80%	0.795	S	S	*	*			trans	60.2	167.6	158.9	-64.4	-168	25.1	0	0	121.9
173	S	32.5	Very low	32.8	Very low	99 Å²	99	146.5 Å²	146.5	69%	0.692	79%	0.793	S	S	*	*			cis	-171.6	166.5	-41.8	-85	0	0	0	0	113.6
174	Q	33.8	Very low	32.5	Very low	160 Å²	160	145.3 Å²	145.3	75%	0.748	79%	0.792	S	S	*	*			trans	74.6	142.9	172.7	-64.4	-167.8	-1.7	0	0	117.9
175	K	36.5	Very low	32	Very low	183 Å²	183	146.9 Å²	146.9	80%	0.796	79%	0.793	S	S	*	*			cis	-135.3	-168.5	7.2	-90.3	117.3	172.7	150.1	0	109.2
176	K	28.1	Very low	33.2	Very low	213 Å²	213	142.2 Å²	142.2	93%	0.926	78%	0.777	S	S	*	*			cis	-145.3	-71.4	8.2	-164.2	-178.5	178.6	-178.2	0	115.9
177	G	25.6	Very low	33	Very low	64 Å²	64	142.6 Å²	142.6	66%	0.66	78%	0.779	S	S	*	*			trans	161.4	174.5	-169.4	0	0	0	0	0	112.2
178	V	24.1	Very low	32.3	Very low	135 Å²	135	144.1 Å²	144.1	82%	0.818	77%	0.774	S	S	*	*			cis	-154.7	144	24.3	166.8	0	0	0	0	112.8
179	K	26.2	Very low	32.4	Very low	175 Å²	175	139.3 Å²	139.3	76%	0.761	77%	0.766	S	S	*	*			trans	17.4	132.1	152	-61.8	177	-178.3	-178.1	0	120.6
180	N	27.2	Very low	30.5	Very low	148 Å²	148	142 Å²	142	79%	0.791	78%	0.775	S	S	*	*				64.8	148.7	76.5	-53.4	11.9	0	0	0	113.7
181	T	23.9	Very low	30.2	Very low	131 Å²	131	137.6 Å²	137.6	80%	0.804	77%	0.771	S	S	*	*			cis	-162.8	166.6	34.1	-33.9	0	0	0	0	112.7
182	C	36.6	Very low	30.2	Very low	109 Å²	109	142.8 Å²	142.8	74%	0.736	77%	0.774	S	S	*	*			trans	-76.4	-178.5	160.1	-52.3	0	0	0	0	112.1
183	P	44.7	Very low	30.1	Very low	113 Å²	113	141.4 Å²	141.4	73%	0.734	77%	0.769	S	S	*	*				-137	-150	89.3	34.3	-13.8	0	0	0	111.4
184	D	25.4	Very low	30.2	Very low	141 Å²	141	141.1 Å²	141.1	75%	0.754	77%	0.773	S	S	*	*			cis	-158	-161.6	8.1	-142.1	-50.9	0	0	0	112.9
185	L	26.5	Very low	30.5	Very low	152 Å²	152	139.7 Å²	139.7	80%	0.796	78%	0.777	S	S	*	*			trans	-139.3	-163.6	-167.7	-125.2	65.4	0	0	0	110.9
186	P	50.3	Low	30.3	Very low	88 Å²	88	139.4 Å²	139.4	57%	0.571	78%	0.779	S	S	*	*			cis	-133.7	170.1	-27.8	37.4	-21.3	0	0	0	115.2
187	N	27.8	Very low	31.6	Very low	153 Å²	153	134 Å²	134	82%	0.818	77%	0.765	S	S	*	*				-179.2	161.9	112.4	-98.3	-45.8	0	0	0	115.9
188	H	26.8	Very low	31.7	Very low	166 Å²	166	138.2 Å²	138.2	77%	0.769	77%	0.772	S	S	*	*			trans	-81.6	154.8	-172.8	-73.6	-124	0	0	0	113.4
189	L	27.7	Very low	31.8	Very low	147 Å²	147	139.6 Å²	139.6	77%	0.77	77%	0.767	S	S	*	*				-171.1	146.9	74.8	-88.2	167.1	0	0	0	113.8
190	N	25.6	Very low	31.8	Very low	150 Å²	150	137.5 Å²	137.5	80%	0.802	76%	0.76	S	S	*	*			trans	14.9	149	152.1	-67	-28.7	0	0	0	122.2
191	A	23.6	Very low	32	Very low	98 Å²	98	135.7 Å²	135.7	81%	0.81	76%	0.759	S	S	*	*			cis	-151.5	166.4	35.5	0	0	0	0	0	117.7
192	K	30.2	Very low	32.3	Very low	181 Å²	181	133.6 Å²	133.6	79%	0.787	76%	0.755	S	S	*	*			trans	-82.9	175.3	167.1	-74.6	178.8	169.6	-175.4	0	111
193	M	30.1	Very low	31.9	Very low	163 Å²	163	134.6 Å²	134.6	80%	0.803	76%	0.758	S	S	*	*			cis	-167.3	170.8	-18.2	-104.1	168.1	154.7	0	0	106.6
194	A	32.6	Very low	30.9	Very low	94 Å²	94	137.1 Å²	137.1	78%	0.777	76%	0.764	S	S	*	*			trans	-69.6	152.8	162.2	0	0	0	0	0	110.6
195	P	41.1	Very low	30.9	Very low	130 Å²	130	136.3 Å²	136.3	84%	0.844	76%	0.764	S	S	*	*				-144.9	-162	53.2	41.4	-19.9	0	0	0	116.3
196	Q	31.7	Very low	31.7	Very low	176 Å²	176	134.4 Å²	134.4	82%	0.822	76%	0.761	S	S	*	*			trans	-89.4	-179.4	176.4	-69.4	-144.9	11.1	0	0	113.6
197	P	55.6	Low	30.3	Very low	99 Å²	99	141.5 Å²	141.5	64%	0.643	78%	0.776	S	S	*	*			cis	-132.4	-158.5	-15.4	28.5	-4.3	0	0	0	113.4
198	L	27.5	Very low	30.2	Very low	154 Å²	154	140.4 Å²	140.4	81%	0.806	78%	0.775	S	S	*	*			trans	75.8	144.9	172.5	-57.8	167.6	0	0	0	114.1
199	K	26.9	Very low	30.9	Very low	163 Å²	163	137.7 Å²	137.7	71%	0.709	77%	0.772	S	S	*	*			cis	-131.5	179.8	15.7	-72.5	179.5	153.3	-74.9	0	109.2
200	E	26.9	Very low	30.7	Very low	132 Å²	132	137.2 Å²	137.2	62%	0.617	78%	0.775	S	S	*	*			cis	-179.4	175.5	-21.1	-96.3	158.3	-166.6	0	0	105.2
201	S	30.1	Very low	31	Very low	110 Å²	110	136.7 Å²	136.7	77%	0.769	77%	0.772	S	S	*	*			cis	-174.2	176.1	-15.2	54.9	0	0	0	0	105.5
202	A	30.2	Very low	31.6	Very low	87 Å²	87	138 Å²	138	72%	0.719	77%	0.772	S	S	*	*			cis	-176.3	166.1	-28.3	0	0	0	0	0	106.2
203	V	28.3	Very low	31.6	Very low	130 Å²	130	138 Å²	138	79%	0.788	77%	0.772	S	S	*	*			cis	-169.8	141.6	-21.1	140.4	0	0	0	0	105.3
204	L	24.1	Very low	31.4	Very low	166 Å²	166	138.7 Å²	138.7	87%	0.869	78%	0.775	S	S	*	*			trans	-172.7	165.8	150.2	-101.7	-179.4	0	0	0	112.2
205	T	26	Very low	31	Very low	124 Å²	124	137.9 Å²	137.9	76%	0.761	78%	0.776	S	S	*	*			trans	-141.6	-170.6	-175.2	65.7	0	0	0	0	109.6
206	P	41.8	Very low	30.4	Very low	111 Å²	111	137 Å²	137	72%	0.721	77%	0.773	S	S	*	*			cis	-135	-160.8	-13.4	40.7	-21.1	0	0	0	114.2
207	R	22	Very low	30.2	Very low	237 Å²	237	135 Å²	135	89%	0.894	77%	0.773	S	S	*	*			trans	82	173.7	161	-88.5	-177.6	173.8	176.1	-1.7	120
208	V	26.1	Very low	28.9	Very low	131 Å²	131	133 Å²	133	79%	0.794	77%	0.77	S	S	*	*			trans	-158.4	-178.2	-160.8	-67.9	0	0	0	0	108.2
209	P	40.8	Very low	28.9	Very low	109 Å²	109	131.9 Å²	131.9	71%	0.708	77%	0.765	S	S	*	*			cis	-147.4	-147.3	13.1	43.6	-19.8	0	0	0	115.9
210	T	24	Very low	28.8	Very low	137 Å²	137	134.7 Å²	134.7	84%	0.84	77%	0.771	S	S	*	*			trans	98.9	168.3	152.2	10.2	0	0	0	0	122.7
211	L	31.9	Very low	28.8	Very low	139 Å²	139	134.4 Å²	134.4	73%	0.728	77%	0.769	S	S	*	*			trans	-92.9	172.2	-165.7	-146	93	0	0	0	113.8	K213	L211-K213 HydrophobicContact CD2-CG 4.36Å
212	P	36.1	Very low	28.7	Very low	124 Å²	124	133.9 Å²	133.9	81%	0.805	76%	0.762	S	S	*	*				-147.5	-167.5	116.3	37.5	-19.8	0	0	0	116.2
213	K	30.2	Very low	28.5	Very low	181 Å²	181	135.9 Å²	135.9	79%	0.787	77%	0.765	S	S	*	*			trans	-130.3	170.8	-174.3	-63.8	179.3	176.3	-179.4	0	113.2	L211	L211-K213 HydrophobicContact CD2-CG 4.36Å
214	M	25.1	Very low	28.4	Very low	179 Å²	179	133.4 Å²	133.4	88%	0.882	76%	0.758	S	S	*	*				123	127.3	123	-153.3	76.6	174.2	0	0	120.1
215	G	25.2	Very low	28.6	Very low	76 Å²	76	134.7 Å²	134.7	78%	0.784	76%	0.76	S	S	*	*			trans	80.9	168.1	152.2	0	0	0	0	0	120.3
216	S	28.4	Very low	28.9	Very low	112 Å²	112	133.9 Å²	133.9	78%	0.783	76%	0.759	S	S	*	*			cis	-176.1	159.8	-30.9	-158.2	0	0	0	0	111.3
217	V	26.7	Very low	28.2	Very low	135 Å²	135	136.3 Å²	136.3	82%	0.818	76%	0.761	S	S	*	*			trans	70.5	156.2	173.9	-174.5	0	0	0	0	115.5
218	G	29	Very low	28.6	Very low	57 Å²	57	132.7 Å²	132.7	59%	0.588	75%	0.754	S	S	*	*			cis	135.5	165.4	-4.4	0	0	0	0	0	113
219	D	26.6	Very low	28.7	Very low	130 Å²	130	130.4 Å²	130.4	70%	0.695	75%	0.749	S	S	*	*			cis	-168.2	177.8	-11.7	-71.6	-48.7	0	0	0	110.6
220	W	24.9	Very low	27.9	Very low	221 Å²	221	133.4 Å²	133.4	84%	0.837	76%	0.758	S	S	*	*			trans	71.1	160	170.2	-40.8	100.3	0	0	0	118.8
221	E	27.4	Very low	27.8	Very low	126 Å²	126	129.7 Å²	129.7	59%	0.589	75%	0.747	S	S	*	*			cis	-169	154.8	-18.4	-109.9	-176.1	159.3	0	0	114.7	L430	E221-L430 WeakPolarHBondContact O-CD1 3.45Å
222	V	28.8	Very low	28.2	Very low	100 Å²	100	129.4 Å²	129.4	61%	0.606	75%	0.753	S	S	*	*			trans	56.3	147.2	135.6	178.8	0	0	0	0	120.4
223	T	26.4	Very low	27.8	Very low	128 Å²	128	127 Å²	127	79%	0.785	75%	0.751	S	S	*	*			cis	-167.3	167.4	45.2	-19.9	0	0	0	0	114.8
224	A	25.5	Very low	28	Very low	79 Å²	79	126.8 Å²	126.8	65%	0.653	75%	0.75	S	S	*	*			trans	70.9	122	148.3	0	0	0	0	0	120.8
225	E	27.7	Very low	28.1	Very low	192 Å²	192	126.1 Å²	126.1	90%	0.897	75%	0.745	S	S	*	*				79.7	141.9	66.6	-74.2	-176.5	159.4	0	0	115
226	S	31.5	Very low	28.1	Very low	107 Å²	107	127 Å²	127	75%	0.748	74%	0.744	S	S	*	*			cis	-162.8	-170	-6.1	57.4	0	0	0	0	108.8
227	Q	29	Very low	28.1	Very low	162 Å²	162	128.8 Å²	128.8	76%	0.757	74%	0.74	S	S	*	*			cis	-151.2	-116	6.6	-159.1	-169.8	-26.9	0	0	113.6
228	E	30.4	Very low	28.2	Very low	162 Å²	162	130.3 Å²	130.3	76%	0.757	74%	0.736	S	S	*	*			trans	-129.6	-167.3	-166.3	-61.5	158.6	75.2	0	0	113.2
229	A	28.4	Very low	28	Very low	83 Å²	83	135.7 Å²	135.7	69%	0.686	75%	0.746	S	S	*	*			cis	-158	-165.1	9.6	0	0	0	0	0	109.7
230	L	22.8	Very low	27.8	Very low	172 Å²	172	137.1 Å²	137.1	90%	0.901	75%	0.753	S	S	*	*			cis	-162	-158.5	0.7	-137.6	173.6	0	0	0	109.9
231	G	22	Very low	27.8	Very low	59 Å²	59	132 Å²	132	61%	0.608	75%	0.749	S	S	*	*			trans	-141	-142.6	175.9	0	0	0	0	0	112.9
232	P	41.1	Very low	27.7	Very low	132 Å²	132	136.3 Å²	136.3	86%	0.857	77%	0.766	S	S	*	*			cis	-150	175.5	-8.4	44.2	-24.8	0	0	0	119.1
233	G	27.9	Very low	27.5	Very low	73 Å²	73	140 Å²	140	75%	0.753	78%	0.777	S	S	*	*			trans	93.4	164.5	150.8	0	0	0	0	0	120.7
234	K	33	Very low	28.8	Very low	177 Å²	177	138.9 Å²	138.9	77%	0.77	77%	0.771	S	S	*	*			cis	-175.5	139.7	-5.6	-114.4	-178.6	172.4	-167.5	0	114.6
235	H	27.7	Very low	29.6	Very low	166 Å²	166	141.3 Å²	141.3	77%	0.769	78%	0.78	S	S	*	*			trans	62.8	178	157.1	-52.1	-51.9	0	0	0	120
236	A	26	Very low	29.6	Very low	93 Å²	93	135.1 Å²	135.1	77%	0.769	77%	0.769	S	S	*	*			cis	-174.1	177.5	-47.1	0	0	0	0	0	109
237	E	28.1	Very low	29.4	Very low	151 Å²	151	137.9 Å²	137.9	71%	0.706	78%	0.775	S	S	*	*			cis	-168.2	166.3	1	-145.3	-154.2	164.4	0	0	113.6
238	K	28.1	Very low	29.3	Very low	167 Å²	167	137.4 Å²	137.4	73%	0.726	78%	0.778	S	S	*	*			trans	76.2	158.4	152.9	-87.8	-177.3	-174.7	74.8	0	126.5
239	E	25.8	Very low	29.1	Very low	170 Å²	170	135.4 Å²	135.4	79%	0.794	78%	0.78	S	S	*	*			trans	-64.3	163.4	-165.3	-46.4	178.6	159.7	0	0	121.5
240	L	20.9	Very low	28.9	Very low	160 Å²	160	135.1 Å²	135.1	84%	0.838	79%	0.785	S	S	*	*				176.9	164	102.6	-152.8	66.2	0	0	0	113.9
241	C	24.7	Very low	29	Very low	114 Å²	114	135.1 Å²	135.1	77%	0.77	79%	0.786	S	S	*	*			trans	-106.4	158.4	-171.5	-47.1	0	0	0	0	116.5
242	K	25.5	Very low	29.2	Very low	216 Å²	216	138 Å²	138	94%	0.939	80%	0.797	S	S	*	*			trans	-175.2	163.2	141.9	-107.7	165.2	-174.8	178	0	116.1
243	E	24.4	Very low	28.6	Very low	178 Å²	178	137.4 Å²	137.4	83%	0.832	79%	0.79	S	S	*	*			trans	-153.7	177.2	-179	-133.9	-165.1	-124.6	0	0	108.2
244	P	55.1	Low	28.4	Very low	103 Å²	103	144 Å²	144	67%	0.669	79%	0.794	S	S	*	*			cis	-111.7	-125	-23.6	42.4	-26.2	0	0	0	109.3
245	P	42.3	Very low	28.1	Very low	130 Å²	130	143.3 Å²	143.3	84%	0.844	80%	0.798	S	S	*	*			cis	-104.6	-149.7	-2.4	46.5	-35.8	0	0	0	111.7
246	G	27.6	Very low	28	Very low	63 Å²	63	139.2 Å²	139.2	65%	0.649	80%	0.801	S	S	*	*			cis	-179.5	-162	7.8	0	0	0	0	0	114.8
247	D	27.5	Very low	27.9	Very low	164 Å²	164	141.2 Å²	141.2	88%	0.877	80%	0.803	S	S	*	*			trans	-83.2	179	-170.6	-54.1	-69.1	0	0	0	114.3
248	D	26.1	Very low	28.3	Very low	153 Å²	153	139.4 Å²	139.4	82%	0.818	80%	0.804	S	S	*	*			cis	-162.4	-167	32.7	-161.8	-8.9	0	0	0	112.3
249	C	25.4	Very low	28	Very low	119 Å²	119	137.4 Å²	137.4	80%	0.804	81%	0.806	S	S	*	*			trans	-117.1	172.6	-161.5	68.4	0	0	0	0	116.3
250	G	24.4	Very low	28	Very low	77 Å²	77	134.8 Å²	134.8	79%	0.794	81%	0.806	S	S	*	*			trans	172.7	126.9	169.3	0	0	0	0	0	116.2
251	N	26.6	Very low	28.3	Very low	173 Å²	173	136.8 Å²	136.8	93%	0.925	81%	0.808	S	S	*	*			trans	-97.7	149.3	170.7	-83	-37	0	0	0	111.2
252	S	26.1	Very low	28.8	Very low	118 Å²	118	136.6 Å²	136.6	83%	0.825	81%	0.806	S	S	*	*				167.4	165.1	119	-162.4	0	0	0	0	112.6
253	V	28	Very low	28.8	Very low	120 Å²	120	131 Å²	131	73%	0.727	79%	0.794	S	S	*	*			trans	-122.4	152.7	-179.7	167.1	0	0	0	0	108.6
254	Y	24.1	Very low	28.9	Very low	212 Å²	212	130 Å²	130	83%	0.831	79%	0.792	S	S	*	*			trans	-173.1	149.6	135.5	-109.6	-79.5	0	0	0	114.4
255	L	26.8	Very low	27.4	Very low	162 Å²	162	131.5 Å²	131.5	85%	0.848	80%	0.8	S	S	*	*			trans	-32.9	160.8	-178.1	-58.8	164	0	0	0	121.7
256	G	24.2	Very low	26.7	Very low	80 Å²	80	129.9 Å²	129.9	83%	0.825	79%	0.792	S	S	*	*			trans	151.3	83.5	142.7	0	0	0	0	0	121.1
257	V	23.8	Very low	26.7	Very low	136 Å²	136	135.6 Å²	135.6	82%	0.824	80%	0.801	S	S	*	*			trans	-81.5	143.2	167.6	168.7	0	0	0	0	109.6
258	P	37	Very low	26.6	Very low	112 Å²	112	135.5 Å²	135.5	73%	0.727	79%	0.793	S	S	*	*				-157.8	151.4	69	38.7	-14.9	0	0	0	122.7
259	V	22.3	Very low	26.7	Very low	126 Å²	126	134.1 Å²	134.1	76%	0.764	78%	0.782	S	S	*	*				40.7	123.9	130	-170.2	0	0	0	0	122.2
260	S	25.4	Very low	26.7	Very low	115 Å²	115	136.7 Å²	136.7	80%	0.804	78%	0.782	S	S	*	*				-176	154.7	114.6	-79.3	0	0	0	0	117.1
261	K	26.4	Very low	26.7	Very low	201 Å²	201	136.4 Å²	136.4	87%	0.874	78%	0.78	S	S	*	*			trans	-97.4	-166	171.3	-92.6	-177.5	178.2	-178.5	0	109.6
262	P	35.8	Very low	27.4	Very low	111 Å²	111	133.3 Å²	133.3	72%	0.721	77%	0.769	S	S	*	*			cis	-161	-174.3	27.2	41.4	-14.5	0	0	0	122.6
263	S	26.4	Very low	27.4	Very low	98 Å²	98	136 Å²	136	69%	0.685	77%	0.768	S	S	*	*			trans	64.6	159	138.1	58.7	0	0	0	0	123.7
264	I	26.1	Very low	27.3	Very low	156 Å²	156	139.1 Å²	139.1	80%	0.8	77%	0.772	S	S	*	*			cis	-173.7	139.2	-34.9	-102.3	154.9	0	0	0	108.4
265	T	23.7	Very low	27.3	Very low	136 Å²	136	140.3 Å²	140.3	83%	0.834	78%	0.776	S	S	*	*			trans	-170.8	162.2	153.6	28.4	0	0	0	0	110.5
266	S	27.1	Very low	27.1	Very low	96 Å²	96	136.4 Å²	136.4	67%	0.671	78%	0.775	S	S	*	*				-165.9	168.8	-53.9	47.8	0	0	0	0	111.5
267	E	27.3	Very low	27.1	Very low	182 Å²	182	140.7 Å²	140.7	85%	0.85	78%	0.777	S	S	*	*			trans	83.4	141.2	169.6	-56.1	-157.9	122.8	0	0	119.7
268	K	26.7	Very low	27.1	Very low	162 Å²	162	139 Å²	139	70%	0.704	77%	0.771	S	S	*	*			cis	-165.7	164.8	-29.2	-153.3	-164	168.5	-146.9	0	111.1
269	E	27.6	Very low	26.4	Very low	124 Å²	124	140.9 Å²	140.9	58%	0.579	78%	0.775	S	S	*	*			trans	79.1	131.8	163.9	-50.2	-94.3	119.3	0	0	116.6
270	Q	24.5	Very low	26.4	Very low	173 Å²	173	140 Å²	140	81%	0.808	77%	0.77	S	S	*	*			cis	-145.6	160.8	-16.2	-89.5	179.2	34.5	0	0	108.6
271	G	25	Very low	26.3	Very low	72 Å²	72	141.5 Å²	141.5	74%	0.742	77%	0.769	S	S	*	*			trans	-123.2	-144.4	-173.9	0	0	0	0	0	114.4
272	P	40.8	Very low	26.2	Very low	107 Å²	107	138 Å²	138	70%	0.695	77%	0.769	S	S	*	*			cis	-146.5	-164.8	3	44.9	-24.9	0	0	0	116.6
273	E	27.1	Very low	25.7	Very low	175 Å²	175	136 Å²	136	82%	0.818	77%	0.77	S	S	*	*			trans	71.9	152.4	151	-78.4	167.4	-126.5	0	0	121.5
274	F	24.9	Very low	25.9	Very low	185 Å²	185	141 Å²	141	81%	0.811	78%	0.779	S	S	*	*			cis	-158.3	-179	-22.1	-160.7	-109.9	0	0	0	111.4
275	W	24.2	Very low	26	Very low	238 Å²	238	144.9 Å²	144.9	90%	0.902	78%	0.784	S	S	*	*			trans	-88.1	156.9	177	-78.9	59.8	0	0	0	114
276	G	23.8	Very low	26.2	Very low	80 Å²	80	142.6 Å²	142.6	83%	0.825	77%	0.773	S	S	*	*			trans	163.8	131.6	155.2	0	0	0	0	0	119.5
277	L	22.9	Very low	26.1	Very low	169 Å²	169	144 Å²	144	89%	0.885	78%	0.778	S	S	*	*			trans	-71.2	142.7	177.1	-72.3	151.1	0	0	0	115.8
278	S	23.4	Very low	26.1	Very low	100 Å²	100	140.1 Å²	140.1	70%	0.699	78%	0.777	S	S	*	*			trans	54.1	140.3	133.6	-59.6	0	0	0	0	125
279	L	22.6	Very low	26.2	Very low	153 Å²	153	136 Å²	136	80%	0.801	77%	0.773	S	S	*	*			trans	102.7	128.7	137.8	-116.7	81.9	0	0	0	122.8
280	T	23.6	Very low	26.1	Very low	107 Å²	107	140.8 Å²	140.8	66%	0.656	79%	0.787	S	S	*	*			trans	76.8	113.4	143.8	37	0	0	0	0	125.8
281	N	23.4	Very low	26.3	Very low	146 Å²	146	136.6 Å²	136.6	78%	0.781	78%	0.777	S	S	*	*				85.9	139.9	122.8	-80.1	-14.3	0	0	0	126.4
282	S	23.7	Very low	26.6	Very low	127 Å²	127	140.1 Å²	140.1	89%	0.888	78%	0.778	S	S	*	*			trans	75.5	151	153.1	74.6	0	0	0	0	120
283	G	24.8	Very low	25.9	Very low	71 Å²	71	140.8 Å²	140.8	73%	0.732	78%	0.776	S	S	*	*			cis	168.2	130.7	-16.8	0	0	0	0	0	118.2
284	K	30	Very low	25.8	Very low	203 Å²	203	138.6 Å²	138.6	88%	0.883	77%	0.77	S	S	*	*			trans	64.4	134.6	154.4	-69.1	179.2	175.9	172	0	123.3
285	R	29.1	Very low	25.7	Very low	237 Å²	237	137.1 Å²	137.1	89%	0.894	77%	0.766	S	S	*	*			trans	78.1	153.7	143.5	-98.4	-179.2	-173.5	173.9	0.7	118.8
286	S	27.4	Very low	26.4	Very low	87 Å²	87	131.3 Å²	131.3	61%	0.608	76%	0.759	S	S	*	*			cis	-163.8	155.5	2.4	-160.9	0	0	0	0	116.3
287	T	25.3	Very low	26.5	Very low	125 Å²	125	131 Å²	131	77%	0.767	75%	0.748	S	S	*	*			trans	61.4	122.5	142.5	37.4	0	0	0	0	126.9
288	A	27.1	Very low	26.7	Very low	101 Å²	101	131.9 Å²	131.9	84%	0.835	75%	0.747	S	S	*	*				60.4	162.3	122.5	0	0	0	0	0	123.4
289	A	28.7	Very low	26.8	Very low	75 Å²	75	130.6 Å²	130.6	62%	0.62	74%	0.743	S	S	*	*			cis	-179.2	176.5	-30.4	0	0	0	0	0	111.4
290	Y	26.5	Very low	26.9	Very low	225 Å²	225	130.6 Å²	130.6	88%	0.882	74%	0.743	S	S	*	*			trans	73.8	155.2	167.7	-67.5	-86.6	0	0	0	118.9
291	S	28.5	Very low	27.2	Very low	85 Å²	85	129.1 Å²	129.1	59%	0.594	73%	0.734	S	S	*	*			cis	-174.3	159.1	-25.3	-117.9	0	0	0	0	114.8
292	L	31.8	Very low	27.2	Very low	146 Å²	146	133 Å²	133	76%	0.764	74%	0.738	S	S	*	*			trans	61.4	162.2	145.6	-60.7	167.4	0	0	0	120.2
293	D	24.6	Very low	27.5	Very low	121 Å²	121	136.6 Å²	136.6	65%	0.647	73%	0.732	S	S	*	*			cis	-160.4	158.8	-2.3	-123.6	-22.5	0	0	0	116.2
294	N	25.8	Very low	27.6	Very low	129 Å²	129	139.4 Å²	139.4	69%	0.69	73%	0.73	S	S	*	*			trans	27.2	123.7	155.2	-63.4	-50.9	0	0	0	127.8
295	E	23.1	Very low	27.8	Very low	155 Å²	155	134.3 Å²	134.3	72%	0.724	72%	0.72	S	S	*	*				40.8	155	104.8	-78.6	-59.2	115.9	0	0	122.6	A297	E295-A297 PolarHBondContact OE2-N 2.75Å
296	P	39.1	Very low	27.6	Very low	116 Å²	116	134 Å²	134	75%	0.753	72%	0.719	S	S	*	*			cis	-146.7	152.7	44.6	41.5	-20.5	0	0	0	121.8
297	A	26.1	Very low	27.7	Very low	72 Å²	72	133.5 Å²	133.5	60%	0.595	72%	0.72	S	S	*	*			trans	24.9	136.9	136.2	0	0	0	0	0	120.3	E295	E295-A297 PolarHBondContact OE2-N 2.75Å
298	Q	26.3	Very low	27.8	Very low	188 Å²	188	137.4 Å²	137.4	88%	0.879	72%	0.721	S	S	*	*				-158.4	158.7	52.6	-82.1	-179.7	77.1	0	0	110.9
299	A	26.1	Very low	27.7	Very low	74 Å²	74	139.2 Å²	139.2	61%	0.612	71%	0.712	S	S	*	*			cis	-165.7	-172.5	-13.3	0	0	0	0	0	108
300	L	24.8	Very low	27.7	Very low	153 Å²	153	143.3 Å²	143.3	80%	0.801	72%	0.718	S	S	*	*			trans	67.1	105.8	-178.7	-54.2	175.6	0	0	0	112.8
301	T	28.2	Very low	27.6	Very low	76 Å²	76	139.8 Å²	139.8	47%	0.466	71%	0.71	S	S	.	*			cis	60.4	141.4	12.4	79.5	0	0	0	0	115.3
302	W	25.2	Very low	27.4	Very low	228 Å²	228	146.4 Å²	146.4	86%	0.864	72%	0.723	S	S	*	*			cis	-120.9	128	7.3	-59.6	79	0	0	0	109
303	R	30	Very low	26.9	Very low	202 Å²	202	145.9 Å²	145.9	76%	0.762	72%	0.717	S	S	*	*				61.6	140.8	52.7	-79.8	-161.7	-165.9	-176	8.5	113.6
304	D	26.9	Very low	27.1	Very low	129 Å²	129	149.8 Å²	149.8	69%	0.69	72%	0.722	S	S	*	*			cis	-137.6	171	36.7	-143.9	6.6	0	0	0	117.9
305	S	32.5	Very low	27	Very low	96 Å²	96	149.7 Å²	149.7	67%	0.671	72%	0.722	S	S	*	*			trans	-140.5	161.4	-171.6	-57.6	0	0	0	0	114
306	R	25.8	Very low	27.4	Very low	232 Å²	232	147.4 Å²	147.4	88%	0.875	72%	0.719	S	S	*	*			trans	-177.9	131	153.6	-106.4	177.6	-75	-177.3	-2.7	108.8
307	A	28.8	Very low	26.9	Very low	75 Å²	75	150.7 Å²	150.7	62%	0.62	72%	0.724	S	S	*	*			cis	78.1	140.4	14.5	0	0	0	0	0	115.7
308	W	27.2	Very low	27.1	Very low	208 Å²	208	152.9 Å²	152.9	79%	0.788	73%	0.725	S	S	*	*			cis	-158.7	172.6	4.1	-145.6	-63.1	0	0	0	111.8
309	E	26.7	Very low	27.1	Very low	139 Å²	139	150.7 Å²	150.7	65%	0.65	72%	0.717	S	S	*	*			trans	70.3	137.9	156.2	-91.1	112.3	-155.6	0	0	118.2
310	E	28.6	Very low	27.3	Very low	160 Å²	160	154.3 Å²	154.3	75%	0.748	72%	0.719	S	S	*	*			cis	72.4	144.6	41.9	-63.1	-177.1	-164.4	0	0	114
311	Q	24.3	Very low	27.5	Very low	152 Å²	152	153.4 Å²	153.4	71%	0.71	72%	0.72	S	S	*	*			cis	-168	152.8	-16.7	163.5	170.2	-53.8	0	0	107.1
312	Y	23.1	Very low	27.5	Very low	224 Å²	224	155.6 Å²	155.6	88%	0.878	74%	0.738	S	S	*	*			trans	173.4	168.1	142	-103.2	-72.6	0	0	0	112.5
313	Q	22.1	Very low	27.7	Very low	134 Å²	134	148.3 Å²	148.3	63%	0.626	73%	0.734	S	S	*	*			trans	-155.4	158.2	-168.9	-148	172.2	-46.9	0	0	106.8
314	W	27.7	Very low	28	Very low	203 Å²	203	145.4 Å²	145.4	77%	0.769	74%	0.738	S	S	*	*			cis	-132.3	-145.7	20.1	-58.7	68.3	0	0	0	109.9
315	D	23.6	Very low	28.2	Very low	127 Å²	127	147.5 Å²	147.5	68%	0.679	74%	0.743	S	S	*	*			cis	-162.5	-168.5	1.9	-136.7	-30.2	0	0	0	113.6
316	V	31.8	Very low	28.7	Very low	108 Å²	108	149.5 Å²	149.5	66%	0.655	74%	0.736	S	S	*	*			trans	1.2	127.4	157.5	-168.5	0	0	0	0	116.9
317	E	29.8	Very low	29.2	Very low	185 Å²	185	139.9 Å²	139.9	86%	0.864	71%	0.709	S	S	*	*			cis	-152.3	176.5	48.1	-150.8	153.1	-125.4	0	0	116.1
318	D	30.5	Very low	29.8	Very low	117 Å²	117	145.1 Å²	145.1	63%	0.626	71%	0.714	S	S	*	*			trans	-37.8	136.5	-173.3	-167.8	23.7	0	0	0	120
319	M	25.6	Very low	30.4	Very low	142 Å²	142	139.8 Å²	139.8	70%	0.7	70%	0.698	S	S	*	*				-176.4	97.5	124.7	-166.2	62.2	60.2	0	0	114.9
320	K	30.6	Very low	31	Very low	150 Å²	150	138.5 Å²	138.5	65%	0.652	69%	0.692	S	S	*	*			trans	41.5	114.6	144.4	-61.1	-174	-176.4	75.3	0	123.1
321	V	28.3	Very low	31.7	Very low	135 Å²	135	133.5 Å²	133.5	82%	0.818	67%	0.673	S	S	*	*			trans	67.6	100.7	132.9	-171.8	0	0	0	0	119.2
322	S	28.3	Very low	32.5	Very low	122 Å²	122	131.1 Å²	131.1	85%	0.853	66%	0.66	S	S	*	*				-171.4	130.4	101.2	47.7	0	0	0	0	112.6
323	G	28.8	Very low	33.3	Very low	75 Å²	75	124.2 Å²	124.2	77%	0.773	64%	0.641	S	S	*	*			trans	165.1	108.5	176.5	0	0	0	0	0	112.9	H325	G323-H325 PolarHBondContact O-N 3.04Å
324	V	36.7	Very low	34	Very low	140 Å²	140	122.7 Å²	122.7	85%	0.848	63%	0.632	S	S	*	*			trans	-96.1	80.4	172.3	-175.9	0	0	0	0	108.5
325	H	32.3	Very low	34.5	Very low	174 Å²	174	118 Å²	118	81%	0.806	62%	0.622	S	S	*	*			trans	-117	120.1	165.4	-165.2	-59.1	0	0	0	107.9	G323	G323-H325 PolarHBondContact O-N 3.04Å
326	W	41.4	Very low	35.3	Very low	138 Å²	138	113.9 Å²	113.9	52%	0.523	61%	0.606	S	S	.	*			trans	-75.7	139.1	177.7	-69.8	67.8	0	0	0	109.7	E330 F334	W326-E330 HydrophobicContact CE3-CB 4.07Å; W326-F334 HydrophobicContact CZ3-CB 4.49Å
327	G	37.3	Very low	35.5	Very low	30 Å²	30	113.9 Å²	113.9	31%	0.309	60%	0.601	S	S	.	*			trans	-67	156.7	171.1	0	0	0	0	0	111.7	E329 E330 T331	G327-E329 PolarHBondContact O-N 3.3Å; G327-E330 PolarHBondContact N-OE2 3.2Å; G327-E330 PolarHBondContact O-N 3.48Å; G327-T331 WeakPolarHBondContact O-CB 3.37Å; G327-T331 PolarHBondContact O-N 2.96Å; G327-T331 PolarHBondContact O-OG1 3.37Å
328	Y	40.3	Very low	35.6	Very low	184 Å²	184	107.4 Å²	107.4	72%	0.722	57%	0.572	S	S	*	*	H	α-helix	trans	-59.4	-46.3	176	176	-102.3	0	0	0	111.5	T331 K332	Y328-T331 PolarHBondContact O-N 3.17Å; Y328-K332 HydrophobicContact CE1-CD 4.1Å; Y328-K332 VanDerWaalsContact O-CB 3.24Å; Y328-K332 WeakPolarHBondContact O-CB 3.41Å; Y328-K332 PolarHBondContact O-N 3.05Å
329	E	41.5	Very low	36	Very low	97 Å²	97	104.8 Å²	104.8	45%	0.453	56%	0.563	S	S	.	*	H	α-helix	trans	-71.4	-33.3	178.5	-68.1	-60.3	140	0	0	113	G327 K332 T333	G327-E329 PolarHBondContact O-N 3.3Å; E329-K332 PolarHBondContact O-N 2.98Å; E329-K332 IonicContact OE1-NZ 2.78Å; E329-K332 PolarHBondContact OE1-NZ 2.95Å; E329-K332 WeakPolarHBondContact OE2-CD 3.37Å; E329-K332 WeakPolarHBondContact OE2-CE 3.4Å; E329-K332 IonicContact OE2-NZ 3.62Å; E329-K332 PolarHBondContact OE2-NZ 2.86Å; E329-T333 VanDerWaalsContact O-CB 3.3Å; E329-T333 WeakPolarHBondContact O-CB 3.24Å; E329-T333 PolarHBondContact O-N 3.14Å; E329-T333 PolarHBondContact O-OG1 3.06Å
330	E	38	Very low	36.5	Very low	112 Å²	112	106 Å²	106	52%	0.523	57%	0.567	S	S	.	*	H	α-helix	trans	-63.3	-44.6	170.9	-57.7	-176.8	134.6	0	0	111	W326 G327 T333 F334	W326-E330 HydrophobicContact CE3-CB 4.07Å; G327-E330 PolarHBondContact N-OE2 3.2Å; G327-E330 PolarHBondContact O-N 3.48Å; E330-T333 PolarHBondContact O-N 2.98Å; E330-F334 VanDerWaalsContact O-CB 3.27Å; E330-F334 WeakPolarHBondContact O-CB 3.46Å; E330-F334 PolarHBondContact O-N 2.8Å
331	T	43	Very low	36.7	Very low	55 Å²	55	100.4 Å²	100.4	34%	0.337	55%	0.547	S	S	.	.	H	α-helix	trans	-64.2	-42.8	178	-55.9	0	0	0	0	111.1	G327 Y328 F334 L335	G327-T331 WeakPolarHBondContact O-CB 3.37Å; G327-T331 PolarHBondContact O-N 2.96Å; G327-T331 PolarHBondContact O-OG1 3.37Å; Y328-T331 PolarHBondContact O-N 3.17Å; T331-F334 PolarHBondContact O-N 3.38Å; T331-L335 HydrophobicContact CG2-CD1 4.07Å; T331-L335 WeakPolarHBondContact O-CB 3.49Å; T331-L335 VanDerWaalsContact O-CG 3.22Å; T331-L335 WeakPolarHBondContact O-CG 3.3Å; T331-L335 PolarHBondContact O-N 2.91Å
332	K	41.5	Very low	37	Very low	102 Å²	102	98.6 Å²	98.6	44%	0.443	54%	0.538	S	S	.	.	H	α-helix	trans	-63.9	-42.4	176.3	178.2	173.6	157.5	-138.2	0	111.8	Y328 E329 L335 A336	Y328-K332 HydrophobicContact CE1-CD 4.1Å; Y328-K332 VanDerWaalsContact O-CB 3.24Å; Y328-K332 WeakPolarHBondContact O-CB 3.41Å; Y328-K332 PolarHBondContact O-N 3.05Å; E329-K332 PolarHBondContact O-N 2.98Å; E329-K332 IonicContact OE1-NZ 2.78Å; E329-K332 PolarHBondContact OE1-NZ 2.95Å; E329-K332 WeakPolarHBondContact OE2-CD 3.37Å; E329-K332 WeakPolarHBondContact OE2-CE 3.4Å; E329-K332 IonicContact OE2-NZ 3.62Å; E329-K332 PolarHBondContact OE2-NZ 2.86Å; K332-L335 PolarHBondContact O-N 2.91Å; K332-A336 PolarHBondContact O-N 2.94Å
333	T	39.9	Very low	37	Very low	78 Å²	78	98.9 Å²	98.9	48%	0.479	52%	0.524	S	S	.	.	H	α-helix	trans	-66.1	-44.6	174.7	-55.1	0	0	0	0	111.4	E329 E330 L335 A336 I337	E329-T333 VanDerWaalsContact O-CB 3.3Å; E329-T333 WeakPolarHBondContact O-CB 3.24Å; E329-T333 PolarHBondContact O-N 3.14Å; E329-T333 PolarHBondContact O-OG1 3.06Å; E330-T333 PolarHBondContact O-N 2.98Å; T333-L335 VanDerWaalsContact C-N 3.33Å; T333-L335 PolarHBondContact O-N 2.99Å; T333-A336 PolarHBondContact O-N 3.21Å; T333-I337 HydrophobicContact CG2-CD1 3.97Å; T333-I337 WeakPolarHBondContact O-CG1 3.35Å; T333-I337 PolarHBondContact O-N 3.2Å
334	F	36.8	Very low	37.2	Very low	102 Å²	102	96 Å²	96	45%	0.447	49%	0.492	S	S	.	.	H	α-helix	trans	-62.5	-37.7	175.4	-178.2	-107.7	0	0	0	112.5	W326 E330 T331 L338	W326-F334 HydrophobicContact CZ3-CB 4.49Å; E330-F334 VanDerWaalsContact O-CB 3.27Å; E330-F334 WeakPolarHBondContact O-CB 3.46Å; E330-F334 PolarHBondContact O-N 2.8Å; T331-F334 PolarHBondContact O-N 3.38Å; F334-L338 HydrophobicContact CD1-CD1 3.83Å; F334-L338 HydrophobicContact CE1-CD1 3.45Å; F334-L338 VanDerWaalsContact CE1-CD1 3.45Å; F334-L338 HydrophobicContact CE1-CG 4.25Å; F334-L338 HydrophobicContact CZ-CD1 3.91Å; F334-L338 HydrophobicContact CZ-CG 4.31Å; F334-L338 WeakPolarHBondContact O-CB 3.29Å; F334-L338 WeakPolarHBondContact O-CG 3.47Å; F334-L338 PolarHBondContact O-N 3.41Å
335	L	39.2	Very low	37.2	Very low	104 Å²	104	95.3 Å²	95.3	55%	0.545	48%	0.48	S	S	.	.	H	α-helix	trans	-69.8	-36.7	174.6	-74.5	170	0	0	0	112.6	T331 K332 T333 L338 S339	T331-L335 HydrophobicContact CG2-CD1 4.07Å; T331-L335 WeakPolarHBondContact O-CB 3.49Å; T331-L335 VanDerWaalsContact O-CG 3.22Å; T331-L335 WeakPolarHBondContact O-CG 3.3Å; T331-L335 PolarHBondContact O-N 2.91Å; K332-L335 PolarHBondContact O-N 2.91Å; T333-L335 VanDerWaalsContact C-N 3.33Å; T333-L335 PolarHBondContact O-N 2.99Å; L335-L338 HydrophobicContact CD2-CD1 4.48Å; L335-L338 PolarHBondContact O-N 3.22Å; L335-S339 WeakPolarHBondContact O-CB 3.36Å; L335-S339 PolarHBondContact O-N 3.48Å
336	A	39	Very low	37.1	Very low	42 Å²	42	93.9 Å²	93.9	35%	0.347	47%	0.471	S	S	.	.	H	α-helix	trans	-62.3	-53.2	172.3	0	0	0	0	0	111	K332 T333 L338 S339 E340	K332-A336 PolarHBondContact O-N 2.94Å; T333-A336 PolarHBondContact O-N 3.21Å; A336-L338 VanDerWaalsContact C-N 3.29Å; A336-L338 PolarHBondContact O-N 3.06Å; A336-S339 WeakPolarHBondContact O-CA 3.39Å; A336-S339 WeakPolarHBondContact O-CB 3.07Å; A336-S339 PolarHBondContact O-N 2.89Å; A336-S339 PolarHBondContact O-OG 2.92Å; A336-E340 PolarHBondContact O-N 2.99Å; A336-E340 VanDerWaalsContact O-N 3.07Å
337	I	36.3	Very low	36.5	Very low	107 Å²	107	91.4 Å²	91.4	55%	0.549	47%	0.468	S	S	.	.	H	α-helix	trans	-55.9	-43.1	175.9	-67.8	165.6	0	0	0	111.3	T333 S341	T333-I337 HydrophobicContact CG2-CD1 3.97Å; T333-I337 WeakPolarHBondContact O-CG1 3.35Å; T333-I337 PolarHBondContact O-N 3.2Å; I337-S341 WeakPolarHBondContact O-CB 3.45Å; I337-S341 PolarHBondContact O-N 3.48Å
338	L	31.9	Very low	36.4	Very low	49 Å²	49	96.9 Å²	96.9	26%	0.257	48%	0.479	S	S	.	.	H	α-helix	trans	-60.3	-46.9	173.4	-84.7	173.6	0	0	0	111.2	F334 L335 A336 E340 S341 S344	F334-L338 HydrophobicContact CD1-CD1 3.83Å; F334-L338 HydrophobicContact CE1-CD1 3.45Å; F334-L338 VanDerWaalsContact CE1-CD1 3.45Å; F334-L338 HydrophobicContact CE1-CG 4.25Å; F334-L338 HydrophobicContact CZ-CD1 3.91Å; F334-L338 HydrophobicContact CZ-CG 4.31Å; F334-L338 WeakPolarHBondContact O-CB 3.29Å; F334-L338 WeakPolarHBondContact O-CG 3.47Å; F334-L338 PolarHBondContact O-N 3.41Å; L335-L338 HydrophobicContact CD2-CD1 4.48Å; L335-L338 PolarHBondContact O-N 3.22Å; A336-L338 VanDerWaalsContact C-N 3.29Å; A336-L338 PolarHBondContact O-N 3.06Å; L338-E340 PolarHBondContact O-N 2.81Å; L338-S341 WeakPolarHBondContact O-CB 3.38Å; L338-S341 PolarHBondContact O-N 3.23Å; L338-S341 PolarHBondContact O-OG 3.15Å; L338-S344 VanDerWaalsContact O-CB 3.27Å; L338-S344 WeakPolarHBondContact O-CB 3.42Å
339	S	38.2	Very low	36.3	Very low	63 Å²	63	91.1 Å²	91.1	44%	0.441	46%	0.463	S	S	.	.	H	α-helix	trans	-62.7	-35.8	-175.1	78.5	0	0	0	0	113.9	L335 A336 S344	L335-S339 WeakPolarHBondContact O-CB 3.36Å; L335-S339 PolarHBondContact O-N 3.48Å; A336-S339 WeakPolarHBondContact O-CA 3.39Å; A336-S339 WeakPolarHBondContact O-CB 3.07Å; A336-S339 PolarHBondContact O-N 2.89Å; A336-S339 PolarHBondContact O-OG 2.92Å; S339-S344 VanDerWaalsContact O-CB 3.27Å; S339-S344 WeakPolarHBondContact O-CB 3.47Å; S339-S344 PolarHBondContact O-OG 3.11Å
340	E	36.8	Very low	35.8	Very low	167 Å²	167	90.2 Å²	90.2	78%	0.78	47%	0.466	S	S	*	.	H	α-helix	trans	-82	-20.2	178.4	-67	175.9	-177.8	0	0	112.7	A336 L338	A336-E340 PolarHBondContact O-N 2.99Å; A336-E340 VanDerWaalsContact O-N 3.07Å; L338-E340 PolarHBondContact O-N 2.81Å
341	S	35.1	Very low	35.6	Very low	32 Å²	32	89.4 Å²	89.4	22%	0.224	46%	0.462	C	S	.	.	S	Bend	trans	-70.4	152.4	179.5	78.1	0	0	0	0	113.5	I337 L338 F343 S344	I337-S341 WeakPolarHBondContact O-CB 3.45Å; I337-S341 PolarHBondContact O-N 3.48Å; L338-S341 WeakPolarHBondContact O-CB 3.38Å; L338-S341 PolarHBondContact O-N 3.23Å; L338-S341 PolarHBondContact O-OG 3.15Å; S341-F343 PolarHBondContact O-N 3.33Å; S341-F343 VanDerWaalsContact OG-CB 3.23Å; S341-F343 WeakPolarHBondContact OG-CB 3.42Å; S341-F343 PolarHBondContact OG-N 2.84Å; S341-S344 PolarHBondContact O-N 3.16Å; S341-S344 PolarHBondContact O-OG 2.93Å; S341-S344 VanDerWaalsContact O-OG 3.07Å; S341-S344 PolarHBondContact OG-N 2.92Å
342	P	34	Very low	35.3	Very low	98 Å²	98	91.6 Å²	91.6	64%	0.636	47%	0.469	S	S	*	.	H	α-helix	trans	-59.6	-6.8	165.8	-23.8	34.4	0	0	0	114.3	K346	P342-K346 PolarHBondContact O-N 2.85Å
343	F	28.6	Very low	35.1	Very low	128 Å²	128	88.5 Å²	88.5	56%	0.561	46%	0.457	S	S	*	.	H	α-helix	trans	-78.1	-29.5	171.7	-147.9	-98.3	0	0	0	111.6	S341 E345 K346 L347	S341-F343 PolarHBondContact O-N 3.33Å; S341-F343 VanDerWaalsContact OG-CB 3.23Å; S341-F343 WeakPolarHBondContact OG-CB 3.42Å; S341-F343 PolarHBondContact OG-N 2.84Å; F343-E345 VanDerWaalsContact C-N 3.29Å; F343-E345 PolarHBondContact O-N 3.25Å; F343-K346 PolarHBondContact O-N 2.95Å; F343-L347 HydrophobicContact CD1-CD1 3.73Å; F343-L347 HydrophobicContact CD1-CG 4.03Å; F343-L347 HydrophobicContact CE1-CD1 4.14Å; F343-L347 HydrophobicContact CE1-CG 4.26Å; F343-L347 WeakPolarHBondContact O-CB 3.2Å; F343-L347 VanDerWaalsContact O-CG 3.29Å; F343-L347 WeakPolarHBondContact O-CG 3.33Å; F343-L347 PolarHBondContact O-N 3.08Å
344	S	33.8	Very low	35.2	Very low	15 Å²	15	92.8 Å²	92.8	11%	0.105	47%	0.465	C	S	.	.	H	α-helix	trans	-67.5	-29.7	173.1	76.1	0	0	0	0	112.9	L338 S339 S341 L347 R348	L338-S344 VanDerWaalsContact O-CB 3.27Å; L338-S344 WeakPolarHBondContact O-CB 3.42Å; S339-S344 VanDerWaalsContact O-CB 3.27Å; S339-S344 WeakPolarHBondContact O-CB 3.47Å; S339-S344 PolarHBondContact O-OG 3.11Å; S341-S344 PolarHBondContact O-N 3.16Å; S341-S344 PolarHBondContact O-OG 2.93Å; S341-S344 VanDerWaalsContact O-OG 3.07Å; S341-S344 PolarHBondContact OG-N 2.92Å; S344-L347 PolarHBondContact O-N 3.14Å; S344-R348 VanDerWaalsContact O-CB 3.28Å; S344-R348 WeakPolarHBondContact O-CB 3.19Å; S344-R348 WeakPolarHBondContact O-CG 3.12Å; S344-R348 PolarHBondContact O-N 2.99Å; S344-R348 PolarHBondContact O-NE 2.73Å; S344-R348 PolarHBondContact OG-NH2 3.4Å
345	E	36	Very low	35.3	Very low	125 Å²	125	92.4 Å²	92.4	58%	0.584	46%	0.464	S	S	*	.	H	α-helix	trans	-73	-41.5	175.9	-170.9	178.6	-148.7	0	0	110.5	F343 L347 R348 T349	F343-E345 VanDerWaalsContact C-N 3.29Å; F343-E345 PolarHBondContact O-N 3.25Å; E345-L347 VanDerWaalsContact C-N 3.3Å; E345-L347 PolarHBondContact O-N 3.31Å; E345-R348 PolarHBondContact O-N 3.11Å; E345-T349 WeakPolarHBondContact O-CB 3.35Å; E345-T349 WeakPolarHBondContact O-CG2 3.22Å; E345-T349 PolarHBondContact O-N 3.03Å; E345-T349 PolarHBondContact O-OG1 3.47Å
346	K	30.8	Very low	35.3	Very low	144 Å²	144	89.4 Å²	89.4	63%	0.626	45%	0.45	S	S	*	.	H	α-helix	trans	-64.5	-32.4	170.3	-73.4	169.7	-178	164.2	0	112.3	P342 F343 T349 C350	P342-K346 PolarHBondContact O-N 2.85Å; F343-K346 PolarHBondContact O-N 2.95Å; K346-T349 WeakPolarHBondContact CA-OG1 3.27Å; K346-T349 PolarHBondContact O-OG1 3.06Å; K346-C350 WeakPolarHBondContact O-CB 3.29Å; K346-C350 PolarHBondContact O-N 2.85Å
347	L	29.3	Very low	35.3	Very low	86 Å²	86	90.5 Å²	90.5	45%	0.45	45%	0.446	S	S	.	.	H	α-helix	trans	-76.1	-38.8	172.7	-73.7	170.5	0	0	0	112.7	F343 S344 E345 C350 H351	F343-L347 HydrophobicContact CD1-CD1 3.73Å; F343-L347 HydrophobicContact CD1-CG 4.03Å; F343-L347 HydrophobicContact CE1-CD1 4.14Å; F343-L347 HydrophobicContact CE1-CG 4.26Å; F343-L347 WeakPolarHBondContact O-CB 3.2Å; F343-L347 VanDerWaalsContact O-CG 3.29Å; F343-L347 WeakPolarHBondContact O-CG 3.33Å; F343-L347 PolarHBondContact O-N 3.08Å; S344-L347 PolarHBondContact O-N 3.14Å; E345-L347 VanDerWaalsContact C-N 3.3Å; E345-L347 PolarHBondContact O-N 3.31Å; L347-C350 PolarHBondContact O-N 3.1Å; L347-H351 VanDerWaalsContact O-CB 3.23Å; L347-H351 WeakPolarHBondContact O-CB 3.26Å; L347-H351 PolarHBondContact O-N 2.98Å
348	R	34.1	Very low	35.6	Very low	144 Å²	144	91 Å²	91	54%	0.543	44%	0.441	S	S	.	.	H	α-helix	trans	-61.3	-53.1	172.6	-92.9	177.2	-82.7	-175	-7.3	110.4	S344 E345 C350 H351 Q352	S344-R348 VanDerWaalsContact O-CB 3.28Å; S344-R348 WeakPolarHBondContact O-CB 3.19Å; S344-R348 WeakPolarHBondContact O-CG 3.12Å; S344-R348 PolarHBondContact O-N 2.99Å; S344-R348 PolarHBondContact O-NE 2.73Å; S344-R348 PolarHBondContact OG-NH2 3.4Å; E345-R348 PolarHBondContact O-N 3.11Å; R348-C350 VanDerWaalsContact C-N 3.31Å; R348-C350 PolarHBondContact O-N 3.42Å; R348-H351 CarbonylContact O-C 3.47Å; R348-H351 PolarHBondContact O-N 2.6Å; R348-H351 VanDerWaalsContact O-N 3.09Å; R348-Q352 VanDerWaalsContact C-OE1 3.23Å; R348-Q352 WeakPolarHBondContact O-CB 3.42Å; R348-Q352 VanDerWaalsContact O-CG 3.27Å; R348-Q352 WeakPolarHBondContact O-CG 3.47Å; R348-Q352 PolarHBondContact O-N 3.15Å; R348-Q352 PolarHBondContact O-OE1 2.71Å; R348-Q352 VanDerWaalsContact O-OE1 3.1Å
349	T	37.6	Very low	35.9	Very low	63 Å²	63	91 Å²	91	39%	0.387	45%	0.448	S	S	.	.	H	α-helix	trans	-62.5	-36.2	176.4	52.8	0	0	0	0	111.9	E345 K346 N353	E345-T349 WeakPolarHBondContact O-CB 3.35Å; E345-T349 WeakPolarHBondContact O-CG2 3.22Å; E345-T349 PolarHBondContact O-N 3.03Å; E345-T349 PolarHBondContact O-OG1 3.47Å; K346-T349 WeakPolarHBondContact CA-OG1 3.27Å; K346-T349 PolarHBondContact O-OG1 3.06Å; T349-N353 WeakPolarHBondContact O-CB 3.39Å; T349-N353 PolarHBondContact O-N 3.26Å; T349-N353 PolarHBondContact O-ND2 2.8Å
350	C	31.4	Very low	36	Very low	78 Å²	78	90.8 Å²	90.8	53%	0.527	44%	0.441	S	S	.	.	H	α-helix	trans	-64.9	-41.2	171.4	-175.2	0	0	0	0	112.5	K346 L347 R348 R354	K346-C350 WeakPolarHBondContact O-CB 3.29Å; K346-C350 PolarHBondContact O-N 2.85Å; L347-C350 PolarHBondContact O-N 3.1Å; R348-C350 VanDerWaalsContact C-N 3.31Å; R348-C350 PolarHBondContact O-N 3.42Å; C350-R354 VanDerWaalsContact O-CB 3.29Å; C350-R354 WeakPolarHBondContact O-CB 3.46Å; C350-R354 PolarHBondContact O-N 2.79Å
351	H	34.1	Very low	36	Very low	95 Å²	95	83.5 Å²	83.5	44%	0.44	41%	0.409	S	S	.	.	H	α-helix	trans	-69.3	-43.7	177.8	-179	-130.8	0	0	0	112	L347 R348 R354 Q355	L347-H351 VanDerWaalsContact O-CB 3.23Å; L347-H351 WeakPolarHBondContact O-CB 3.26Å; L347-H351 PolarHBondContact O-N 2.98Å; R348-H351 CarbonylContact O-C 3.47Å; R348-H351 PolarHBondContact O-N 2.6Å; R348-H351 VanDerWaalsContact O-N 3.09Å; H351-R354 CarbonylContact O-C 3.55Å; H351-R354 WeakPolarHBondContact O-CA 3.4Å; H351-R354 WeakPolarHBondContact O-CB 3.4Å; H351-R354 PolarHBondContact O-N 3.43Å; H351-R354 VanDerWaalsContact O-N 3.12Å; H351-Q355 PolarHBondContact CE1-NE2 3.41Å; H351-Q355 PolarHBondContact NE2-NE2 2.95Å; H351-Q355 WeakPolarHBondContact O-CG 3.41Å; H351-Q355 PolarHBondContact O-N 3.13Å
352	Q	38	Very low	36.4	Very low	101 Å²	101	86.3 Å²	86.3	47%	0.472	42%	0.419	S	S	.	.	H	α-helix	trans	-62.5	-45.8	173.3	-71	158.5	-34.2	0	0	110.5	R348 R354 Q355 V356	R348-Q352 VanDerWaalsContact C-OE1 3.23Å; R348-Q352 WeakPolarHBondContact O-CB 3.42Å; R348-Q352 VanDerWaalsContact O-CG 3.27Å; R348-Q352 WeakPolarHBondContact O-CG 3.47Å; R348-Q352 PolarHBondContact O-N 3.15Å; R348-Q352 PolarHBondContact O-OE1 2.71Å; R348-Q352 VanDerWaalsContact O-OE1 3.1Å; Q352-R354 VanDerWaalsContact C-N 3.32Å; Q352-R354 PolarHBondContact O-N 3.3Å; Q352-Q355 PolarHBondContact O-N 3.03Å; Q352-V356 WeakPolarHBondContact O-CB 3.5Å; Q352-V356 WeakPolarHBondContact O-CG2 3.29Å; Q352-V356 PolarHBondContact O-N 3.42Å
353	N	37	Very low	36.8	Very low	38 Å²	38	90.7 Å²	90.7	20%	0.203	42%	0.423	C	S	.	.	H	α-helix	trans	-55.9	-45.5	169.1	-90.1	-86.3	0	0	0	111.3	T349 Q355 V356 Y357	T349-N353 WeakPolarHBondContact O-CB 3.39Å; T349-N353 PolarHBondContact O-N 3.26Å; T349-N353 PolarHBondContact O-ND2 2.8Å; N353-Q355 VanDerWaalsContact C-N 3.34Å; N353-Q355 PolarHBondContact O-N 3.35Å; N353-V356 PolarHBondContact O-N 2.84Å; N353-Y357 HydrophobicContact CB-CD2 4.26Å; N353-Y357 HydrophobicContact CB-CE2 4.11Å; N353-Y357 WeakPolarHBondContact O-CB 3.36Å; N353-Y357 WeakPolarHBondContact O-CD2 3.37Å; N353-Y357 PolarHBondContact O-N 3.3Å
354	R	40.4	Very low	37.3	Very low	168 Å²	168	87.4 Å²	87.4	63%	0.634	41%	0.411	S	S	*	.	H	α-helix	trans	-62.8	-37.8	178.7	-174.1	178.6	-177.6	-177.2	0.2	112.3	C350 H351 Q352 R358	C350-R354 VanDerWaalsContact O-CB 3.29Å; C350-R354 WeakPolarHBondContact O-CB 3.46Å; C350-R354 PolarHBondContact O-N 2.79Å; H351-R354 CarbonylContact O-C 3.55Å; H351-R354 WeakPolarHBondContact O-CA 3.4Å; H351-R354 WeakPolarHBondContact O-CB 3.4Å; H351-R354 PolarHBondContact O-N 3.43Å; H351-R354 VanDerWaalsContact O-N 3.12Å; Q352-R354 VanDerWaalsContact C-N 3.32Å; Q352-R354 PolarHBondContact O-N 3.3Å; R354-R358 WeakPolarHBondContact O-CB 3.23Å; R354-R358 PolarHBondContact O-N 3.01Å
355	Q	40.2	Very low	37.7	Very low	94 Å²	94	92.4 Å²	92.4	44%	0.439	43%	0.427	S	S	.	.	H	α-helix	trans	-72.9	-38.2	174.4	-67.6	-158.4	13.6	0	0	112.3	H351 Q352 N353 R358 A359	H351-Q355 PolarHBondContact CE1-NE2 3.41Å; H351-Q355 PolarHBondContact NE2-NE2 2.95Å; H351-Q355 WeakPolarHBondContact O-CG 3.41Å; H351-Q355 PolarHBondContact O-N 3.13Å; Q352-Q355 PolarHBondContact O-N 3.03Å; N353-Q355 VanDerWaalsContact C-N 3.34Å; N353-Q355 PolarHBondContact O-N 3.35Å; Q355-R358 WeakPolarHBondContact O-CB 3.42Å; Q355-R358 PolarHBondContact O-N 2.88Å; Q355-A359 WeakPolarHBondContact O-CB 3.29Å; Q355-A359 PolarHBondContact O-N 2.94Å
356	V	39.4	Very low	37.9	Very low	40 Å²	40	90.7 Å²	90.7	24%	0.242	44%	0.435	C	S	.	.	H	α-helix	trans	-66.8	-42.7	174.1	169.5	0	0	0	0	111.2	Q352 N353 R358 A359 I360 Y488	Q352-V356 WeakPolarHBondContact O-CB 3.5Å; Q352-V356 WeakPolarHBondContact O-CG2 3.29Å; Q352-V356 PolarHBondContact O-N 3.42Å; N353-V356 PolarHBondContact O-N 2.84Å; V356-R358 VanDerWaalsContact C-N 3.27Å; V356-R358 PolarHBondContact O-N 2.73Å; V356-A359 PolarHBondContact O-N 3.29Å; V356-I360 HydrophobicContact CG1-CD1 3.61Å; V356-I360 HydrophobicContact CG1-CG1 4.28Å; V356-I360 VanDerWaalsContact O-CB 3.29Å; V356-I360 WeakPolarHBondContact O-CB 3.43Å; V356-I360 VanDerWaalsContact O-CG1 3.23Å; V356-I360 WeakPolarHBondContact O-CG1 3.47Å; V356-I360 PolarHBondContact O-N 3.46Å; V356-Y488 HydrophobicContact CB-CE2 4.45Å; V356-Y488 HydrophobicContact CG1-CE2 4.35Å; V356-Y488 HydrophobicContact CG2-CE2 4.13Å
357	Y	37.9	Very low	38.4	Very low	65 Å²	65	93 Å²	93	26%	0.255	44%	0.44	S	S	.	.	H	α-helix	trans	-62.3	-32.9	170.9	-75.7	-59.9	0	0	0	112.2	N353 A361 L373	N353-Y357 HydrophobicContact CB-CD2 4.26Å; N353-Y357 HydrophobicContact CB-CE2 4.11Å; N353-Y357 WeakPolarHBondContact O-CB 3.36Å; N353-Y357 WeakPolarHBondContact O-CD2 3.37Å; N353-Y357 PolarHBondContact O-N 3.3Å; Y357-A361 WeakPolarHBondContact O-CB 3.42Å; Y357-A361 PolarHBondContact O-N 3.03Å; Y357-L373 WeakPolarHBondContact O-CD1 3.27Å
358	R	42.1	Very low	39	Very low	119 Å²	119	92.3 Å²	92.3	45%	0.449	45%	0.452	S	S	.	.	H	α-helix	trans	-67.4	-52.3	173.1	-178.2	-173.5	-72.5	150.7	-10.1	111.1	R354 Q355 V356 I360 A361 E362	R354-R358 WeakPolarHBondContact O-CB 3.23Å; R354-R358 PolarHBondContact O-N 3.01Å; Q355-R358 WeakPolarHBondContact O-CB 3.42Å; Q355-R358 PolarHBondContact O-N 2.88Å; V356-R358 VanDerWaalsContact C-N 3.27Å; V356-R358 PolarHBondContact O-N 2.73Å; R358-I360 PolarHBondContact O-N 3.21Å; R358-A361 CarbonylContact O-C 3.53Å; R358-A361 WeakPolarHBondContact O-CB 3.32Å; R358-A361 PolarHBondContact O-N 3.47Å; R358-A361 VanDerWaalsContact O-N 3.14Å; R358-E362 VanDerWaalsContact CG-OE1 3.22Å; R358-E362 WeakPolarHBondContact CG-OE1 3.38Å; R358-E362 PolarHBondContact O-N 3.38Å
359	A	39.7	Very low	39.6	Very low	49 Å²	49	88.8 Å²	88.8	41%	0.405	44%	0.441	S	S	.	.	H	α-helix	trans	-63.5	-37.2	179	0	0	0	0	0	113.1	Q355 V356 E362 R363	Q355-A359 WeakPolarHBondContact O-CB 3.29Å; Q355-A359 PolarHBondContact O-N 2.94Å; V356-A359 PolarHBondContact O-N 3.29Å; A359-E362 PolarHBondContact O-N 3.24Å; A359-R363 PolarHBondContact O-N 3.05Å
360	I	39.9	Very low	39.8	Very low	58 Å²	58	87.3 Å²	87.3	30%	0.297	43%	0.431	S	S	.	.	H	α-helix	trans	-67.8	-43	172.3	-69.7	171.4	0	0	0	110.4	V356 R358 E362 R363 L364	V356-I360 HydrophobicContact CG1-CD1 3.61Å; V356-I360 HydrophobicContact CG1-CG1 4.28Å; V356-I360 VanDerWaalsContact O-CB 3.29Å; V356-I360 WeakPolarHBondContact O-CB 3.43Å; V356-I360 VanDerWaalsContact O-CG1 3.23Å; V356-I360 WeakPolarHBondContact O-CG1 3.47Å; V356-I360 PolarHBondContact O-N 3.46Å; R358-I360 PolarHBondContact O-N 3.21Å; I360-E362 VanDerWaalsContact C-N 3.26Å; I360-E362 PolarHBondContact O-N 3.05Å; I360-R363 PolarHBondContact O-N 3.41Å; I360-L364 HydrophobicContact CG2-CD1 3.82Å; I360-L364 HydrophobicContact CG2-CG 4.35Å; I360-L364 WeakPolarHBondContact O-CB 3.48Å; I360-L364 VanDerWaalsContact O-CG 3.27Å; I360-L364 WeakPolarHBondContact O-CG 3.2Å; I360-L364 PolarHBondContact O-N 3.12Å
361	A	37.6	Very low	40.6	Very low	14 Å²	14	94.2 Å²	94.2	12%	0.116	45%	0.446	C	S	.	.	H	α-helix	trans	-63.2	-33.2	174.4	0	0	0	0	0	112.3	Y357 R358 L364 R365 L373	Y357-A361 WeakPolarHBondContact O-CB 3.42Å; Y357-A361 PolarHBondContact O-N 3.03Å; R358-A361 CarbonylContact O-C 3.53Å; R358-A361 WeakPolarHBondContact O-CB 3.32Å; R358-A361 PolarHBondContact O-N 3.47Å; R358-A361 VanDerWaalsContact O-N 3.14Å; A361-L364 PolarHBondContact O-N 3.25Å; A361-R365 WeakPolarHBondContact O-CB 3.33Å; A361-R365 VanDerWaalsContact O-CG 3.31Å; A361-R365 WeakPolarHBondContact O-CG 3.31Å; A361-R365 PolarHBondContact O-N 2.95Å; A361-L373 HydrophobicContact CB-CB 4.23Å; A361-L373 HydrophobicContact CB-CD1 3.89Å; A361-L373 HydrophobicContact CB-CG 3.95Å
362	E	43.4	Very low	41	Very low	91 Å²	91	92.9 Å²	92.9	43%	0.425	45%	0.445	S	S	.	.	H	α-helix	trans	-73.8	-40.1	175.6	-79.6	151.1	-158.3	0	0	112.3	R358 A359 I360 L364 R365 A366	R358-E362 VanDerWaalsContact CG-OE1 3.22Å; R358-E362 WeakPolarHBondContact CG-OE1 3.38Å; R358-E362 PolarHBondContact O-N 3.38Å; A359-E362 PolarHBondContact O-N 3.24Å; I360-E362 VanDerWaalsContact C-N 3.26Å; I360-E362 PolarHBondContact O-N 3.05Å; E362-L364 VanDerWaalsContact C-N 3.32Å; E362-L364 PolarHBondContact O-N 3.34Å; E362-R365 VanDerWaalsContact CG-NH1 3.34Å; E362-R365 PolarHBondContact O-N 3.45Å; E362-R365 IonicContact OE1-NH1 2.6Å; E362-R365 PolarHBondContact OE1-NH1 3.46Å; E362-A366 WeakPolarHBondContact O-CB 3.42Å; E362-A366 PolarHBondContact O-N 3.42Å
363	R	42	Very low	41.2	Very low	190 Å²	190	90.8 Å²	90.8	72%	0.717	44%	0.436	S	S	*	.	H	α-helix	trans	-63.7	-33.5	168.9	-75.9	179.8	170.8	170.4	-2.4	113	A359 I360 R367	A359-R363 PolarHBondContact O-N 3.05Å; I360-R363 PolarHBondContact O-N 3.41Å; R363-R367 PolarHBondContact O-N 2.77Å; R363-R367 VanDerWaalsContact O-N 3.14Å
364	L	37.6	Very low	41.5	Very low	58 Å²	58	95.2 Å²	95.2	30%	0.304	46%	0.456	S	S	.	.	H	α-helix	trans	-78.8	-26.7	175.4	-70.1	172.9	0	0	0	113.5	I360 A361 E362 G368 F369	I360-L364 HydrophobicContact CG2-CD1 3.82Å; I360-L364 HydrophobicContact CG2-CG 4.35Å; I360-L364 WeakPolarHBondContact O-CB 3.48Å; I360-L364 VanDerWaalsContact O-CG 3.27Å; I360-L364 WeakPolarHBondContact O-CG 3.2Å; I360-L364 PolarHBondContact O-N 3.12Å; A361-L364 PolarHBondContact O-N 3.25Å; E362-L364 VanDerWaalsContact C-N 3.32Å; E362-L364 PolarHBondContact O-N 3.34Å; L364-G368 PolarHBondContact O-N 3.29Å; L364-F369 PolarHBondContact O-N 3.44Å
365	R	43	Very low	41.8	Very low	120 Å²	120	91.6 Å²	91.6	45%	0.453	45%	0.446	S	S	.	.	H	α-helix	trans	-69	-45.4	165.4	-78	177.5	-167.9	137.4	-6.2	111.2	A361 E362 R367 G368 L370 R371	A361-R365 WeakPolarHBondContact O-CB 3.33Å; A361-R365 VanDerWaalsContact O-CG 3.31Å; A361-R365 WeakPolarHBondContact O-CG 3.31Å; A361-R365 PolarHBondContact O-N 2.95Å; E362-R365 VanDerWaalsContact CG-NH1 3.34Å; E362-R365 PolarHBondContact O-N 3.45Å; E362-R365 IonicContact OE1-NH1 2.6Å; E362-R365 PolarHBondContact OE1-NH1 3.46Å; R365-R367 PolarHBondContact O-N 3.21Å; R365-G368 WeakPolarHBondContact O-CA 3.22Å; R365-G368 PolarHBondContact O-N 3.28Å; R365-L370 WeakPolarHBondContact CG-O 3.2Å; R365-R371 PolarHBondContact NE-O 2.87Å
366	A	39.5	Very low	41.8	Very low	90 Å²	90	89.1 Å²	89.1	74%	0.744	44%	0.439	S	S	*	.	H	α-helix	trans	-61.9	-25.9	177.9	0	0	0	0	0	112.8	E362	E362-A366 WeakPolarHBondContact O-CB 3.42Å; E362-A366 PolarHBondContact O-N 3.42Å
367	R	42.4	Very low	42.1	Very low	193 Å²	193	92.8 Å²	92.8	73%	0.728	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98	15.5	170.6	-66.9	178.9	173.8	156.4	-3.3	113.9	R363 R365 F369	R363-R367 PolarHBondContact O-N 2.77Å; R363-R367 VanDerWaalsContact O-N 3.14Å; R365-R367 PolarHBondContact O-N 3.21Å; R367-F369 VanDerWaalsContact C-N 3.35Å; R367-F369 VanDerWaalsContact O-CD2 3.29Å; R367-F369 WeakPolarHBondContact O-CD2 3.37Å; R367-F369 PolarHBondContact O-N 3.03Å
368	G	41.7	Very low	42.5	Very low	70 Å²	70	97 Å²	97	72%	0.722	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.3	3.1	167.3	0	0	0	0	0	118	L364 R365	L364-G368 PolarHBondContact O-N 3.29Å; R365-G368 WeakPolarHBondContact O-CA 3.22Å; R365-G368 PolarHBondContact O-N 3.28Å
369	F	45.9	Very low	42.7	Very low	70 Å²	70	97.5 Å²	97.5	31%	0.307	47%	0.466	S	S	.	.	S	Bend	trans	-79.9	-34	-165.6	-94.2	-88.3	0	0	0	115.8	L364 R367 R508	L364-F369 PolarHBondContact O-N 3.44Å; R367-F369 VanDerWaalsContact C-N 3.35Å; R367-F369 VanDerWaalsContact O-CD2 3.29Å; R367-F369 WeakPolarHBondContact O-CD2 3.37Å; R367-F369 PolarHBondContact O-N 3.03Å; F369-R508 HydrophobicContact CE1-CB 4.47Å; F369-R508 HydrophobicContact CE1-CG 4.36Å; F369-R508 HydrophobicContact CZ-CB 4.17Å; F369-R508 HydrophobicContact CZ-CG 3.91Å
370	L	43.2	Very low	42.9	Very low	32 Å²	32	97.7 Å²	97.7	17%	0.168	46%	0.463	C	S	.	.			trans	-152.4	142.8	-177.4	-74.3	177.7	0	0	0	112.6	R365 Q375 C376	R365-L370 WeakPolarHBondContact CG-O 3.2Å; L370-Q375 HydrophobicContact CD2-CB 4.26Å; L370-C376 HydrophobicContact CD1-CB 3.45Å; L370-C376 VanDerWaalsContact CD1-CB 3.45Å
371	R	46.9	Very low	43.3	Very low	223 Å²	223	102.4 Å²	102.4	84%	0.842	48%	0.481	S	S	*	.	S	Bend	trans	-78.1	-36.8	174.6	-76.9	-175.8	171.2	176.6	-3.1	113.4	R365	R365-R371 PolarHBondContact NE-O 2.87Å
372	T	43.6	Very low	43.7	Very low	68 Å²	68	104 Å²	104	42%	0.417	49%	0.488	S	S	.	.			trans	-132.4	146.2	-176.4	62.4	0	0	0	0	114.8	E374 Q375	T372-E374 VanDerWaalsContact C-N 3.34Å; T372-E374 PolarHBondContact O-N 2.99Å; T372-Q375 PolarHBondContact O-N 3.43Å; T372-Q375 WeakPolarHBondContact OG1-CG 3.17Å
373	L	40.7	Very low	43.8	Very low	56 Å²	56	102.3 Å²	102.3	29%	0.293	48%	0.481	S	S	.	.	H	α-helix	trans	-63.4	-36.6	-173.2	-161.3	163.2	0	0	0	112.5	Y357 A361 Q375 C376 R377	Y357-L373 WeakPolarHBondContact O-CD1 3.27Å; A361-L373 HydrophobicContact CB-CB 4.23Å; A361-L373 HydrophobicContact CB-CD1 3.89Å; A361-L373 HydrophobicContact CB-CG 3.95Å; L373-Q375 VanDerWaalsContact C-N 3.33Å; L373-Q375 PolarHBondContact O-N 3Å; L373-C376 WeakPolarHBondContact O-CB 3.28Å; L373-C376 PolarHBondContact O-N 3.41Å; L373-C376 VanDerWaalsContact O-N 3.14Å; L373-R377 HydrophobicContact CD2-CG 4.11Å; L373-R377 PolarHBondContact O-N 3.34Å
374	E	44.6	Very low	44	Very low	132 Å²	132	95.3 Å²	95.3	62%	0.617	46%	0.458	S	S	*	.	H	α-helix	trans	-62.8	-37.4	-179.3	-152.9	57.3	-143.1	0	0	112.6	T372 C376 R377 Y378	T372-E374 VanDerWaalsContact C-N 3.34Å; T372-E374 PolarHBondContact O-N 2.99Å; E374-C376 VanDerWaalsContact C-N 3.26Å; E374-C376 PolarHBondContact O-N 3.07Å; E374-R377 PolarHBondContact O-N 3.42Å; E374-Y378 WeakPolarHBondContact O-CB 3.37Å; E374-Y378 PolarHBondContact O-N 3.16Å
375	Q	45.5	Very low	44.4	Very low	91 Å²	91	100.4 Å²	100.4	43%	0.425	47%	0.473	S	S	.	.	H	α-helix	trans	-64	-32.5	177.2	-65.1	177.1	-6.1	0	0	111.8	L370 T372 L373 R379	L370-Q375 HydrophobicContact CD2-CB 4.26Å; T372-Q375 PolarHBondContact O-N 3.43Å; T372-Q375 WeakPolarHBondContact OG1-CG 3.17Å; L373-Q375 VanDerWaalsContact C-N 3.33Å; L373-Q375 PolarHBondContact O-N 3Å; Q375-R379 WeakPolarHBondContact O-CB 3.17Å; Q375-R379 WeakPolarHBondContact O-CG 3.49Å; Q375-R379 PolarHBondContact O-N 2.99Å
376	C	41.8	Very low	44.4	Very low	42 Å²	42	99.2 Å²	99.2	28%	0.284	48%	0.476	S	S	.	.	H	α-helix	trans	-68.1	-49.3	176.3	-159.3	0	0	0	0	111	L370 L373 E374 Y378 R379 V380	L370-C376 HydrophobicContact CD1-CB 3.45Å; L370-C376 VanDerWaalsContact CD1-CB 3.45Å; L373-C376 WeakPolarHBondContact O-CB 3.28Å; L373-C376 PolarHBondContact O-N 3.41Å; L373-C376 VanDerWaalsContact O-N 3.14Å; E374-C376 VanDerWaalsContact C-N 3.26Å; E374-C376 PolarHBondContact O-N 3.07Å; C376-Y378 VanDerWaalsContact C-N 3.28Å; C376-Y378 PolarHBondContact O-N 3.03Å; C376-R379 PolarHBondContact O-N 3.12Å; C376-V380 WeakPolarHBondContact O-CG2 3.3Å; C376-V380 PolarHBondContact O-N 3.38Å; C376-V380 VanDerWaalsContact O-N 3.08Å
377	R	44.6	Very low	44.7	Very low	118 Å²	118	96 Å²	96	45%	0.445	45%	0.445	S	S	.	.	H	α-helix	trans	-58	-41.7	177.2	-61.8	174.5	81.5	87.2	-5.8	111	L373 E374 K381	L373-R377 HydrophobicContact CD2-CG 4.11Å; L373-R377 PolarHBondContact O-N 3.34Å; E374-R377 PolarHBondContact O-N 3.42Å; R377-K381 WeakPolarHBondContact O-CB 3.43Å; R377-K381 PolarHBondContact O-N 3.32Å
378	Y	46.2	Very low	45	Very low	153 Å²	153	94.7 Å²	94.7	60%	0.6	44%	0.439	S	S	*	.	H	α-helix	trans	-65.5	-48.6	177.2	-174.6	-97.4	0	0	0	113.1	E374 C376 K381 N382	E374-Y378 WeakPolarHBondContact O-CB 3.37Å; E374-Y378 PolarHBondContact O-N 3.16Å; C376-Y378 VanDerWaalsContact C-N 3.28Å; C376-Y378 PolarHBondContact O-N 3.03Å; Y378-K381 PolarHBondContact O-N 3.29Å; Y378-N382 WeakPolarHBondContact CE1-ND2 3.43Å; Y378-N382 VanDerWaalsContact CZ-ND2 3.27Å; Y378-N382 PolarHBondContact O-N 3.37Å; Y378-N382 PolarHBondContact OH-ND2 3.43Å
379	R	46.8	Very low	45.2	Very low	129 Å²	129	98.8 Å²	98.8	49%	0.487	44%	0.437	S	S	.	.	H	α-helix	trans	-64.1	-46.3	-178.3	-75.6	-178.1	-179	-178.8	4	112.5	Q375 C376 K381 N382 L383	Q375-R379 WeakPolarHBondContact O-CB 3.17Å; Q375-R379 WeakPolarHBondContact O-CG 3.49Å; Q375-R379 PolarHBondContact O-N 2.99Å; C376-R379 PolarHBondContact O-N 3.12Å; R379-K381 PolarHBondContact O-N 2.81Å; R379-N382 PolarHBondContact O-N 3.44Å; R379-L383 PolarHBondContact O-N 3.04Å
380	V	44	Very low	45	Very low	54 Å²	54	95.9 Å²	95.9	33%	0.327	43%	0.426	S	S	.	.	H	α-helix	trans	-62.4	-42.2	177.7	176	0	0	0	0	111.2	C376 N382 L383 L384	C376-V380 WeakPolarHBondContact O-CG2 3.3Å; C376-V380 PolarHBondContact O-N 3.38Å; C376-V380 VanDerWaalsContact O-N 3.08Å; V380-N382 VanDerWaalsContact C-N 3.31Å; V380-N382 PolarHBondContact O-N 2.83Å; V380-L383 PolarHBondContact O-N 3.35Å; V380-L384 HydrophobicContact CG1-CD1 4.01Å; V380-L384 WeakPolarHBondContact O-CG 3.24Å; V380-L384 PolarHBondContact O-N 3.24Å
381	K	49.2	Very low	45.2	Very low	156 Å²	156	100.6 Å²	100.6	68%	0.678	45%	0.445	S	S	*	.	H	α-helix	trans	-62.8	-35.1	177.2	-171.3	173.7	-175.8	177.4	0	112.8	R377 Y378 R379 R385	R377-K381 WeakPolarHBondContact O-CB 3.43Å; R377-K381 PolarHBondContact O-N 3.32Å; Y378-K381 PolarHBondContact O-N 3.29Å; R379-K381 PolarHBondContact O-N 2.81Å; K381-R385 WeakPolarHBondContact O-CB 3.45Å; K381-R385 PolarHBondContact O-N 3.43Å
382	N	46.1	Very low	45.2	Very low	48 Å²	48	94.5 Å²	94.5	26%	0.257	44%	0.437	S	S	.	.	H	α-helix	trans	-74.8	-39.8	174.2	-83.3	-8.5	0	0	0	112.8	Y378 R379 V380 L384 R385 N386	Y378-N382 WeakPolarHBondContact CE1-ND2 3.43Å; Y378-N382 VanDerWaalsContact CZ-ND2 3.27Å; Y378-N382 PolarHBondContact O-N 3.37Å; Y378-N382 PolarHBondContact OH-ND2 3.43Å; R379-N382 PolarHBondContact O-N 3.44Å; V380-N382 VanDerWaalsContact C-N 3.31Å; V380-N382 PolarHBondContact O-N 2.83Å; N382-L384 PolarHBondContact O-N 3.24Å; N382-R385 WeakPolarHBondContact O-CB 3.37Å; N382-R385 PolarHBondContact O-N 3.48Å; N382-N386 PolarHBondContact O-N 2.86Å
383	L	44.3	Very low	45.2	Very low	55 Å²	55	95 Å²	95	29%	0.288	44%	0.443	S	S	.	.	H	α-helix	trans	-57.8	-49.7	174.7	-172.9	71.1	0	0	0	110.9	R379 V380 R385 N386 Y387 F503	R379-L383 PolarHBondContact O-N 3.04Å; V380-L383 PolarHBondContact O-N 3.35Å; L383-R385 PolarHBondContact O-N 3.07Å; L383-N386 PolarHBondContact O-N 2.87Å; L383-Y387 WeakPolarHBondContact O-CB 3.13Å; L383-Y387 PolarHBondContact O-N 3.29Å; L383-F503 HydrophobicContact CD2-CE1 4.08Å; L383-F503 HydrophobicContact CD2-CZ 4.45Å
384	L	46.5	Very low	45.2	Very low	44 Å²	44	98 Å²	98	23%	0.23	46%	0.455	C	S	.	.	H	α-helix	trans	-67.4	-15.1	175.9	-66.6	173.8	0	0	0	113.9	V380 N382 R388	V380-L384 HydrophobicContact CG1-CD1 4.01Å; V380-L384 WeakPolarHBondContact O-CG 3.24Å; V380-L384 PolarHBondContact O-N 3.24Å; N382-L384 PolarHBondContact O-N 3.24Å; L384-R388 PolarHBondContact O-NE 3.14Å; L384-R388 PolarHBondContact O-NH2 3Å
385	R	46.1	Very low	45.2	Very low	165 Å²	165	96 Å²	96	62%	0.623	45%	0.454	S	S	*	.	H	α-helix	trans	-84.5	-42.8	171.8	-175.4	-178.7	-176.7	178.6	1.5	110.8	K381 N382 L383 R388 K389	K381-R385 WeakPolarHBondContact O-CB 3.45Å; K381-R385 PolarHBondContact O-N 3.43Å; N382-R385 WeakPolarHBondContact O-CB 3.37Å; N382-R385 PolarHBondContact O-N 3.48Å; L383-R385 PolarHBondContact O-N 3.07Å; R385-R388 PolarHBondContact O-N 2.8Å; R385-K389 PolarHBondContact O-N 2.8Å
386	N	41.8	Very low	45	Very low	95 Å²	95	97.4 Å²	97.4	51%	0.508	47%	0.471	S	S	.	.	H	α-helix	trans	-67.5	-42.3	178.7	-68.7	-7	0	0	0	111.3	N382 L383 R388 K389 A390	N382-N386 PolarHBondContact O-N 2.86Å; L383-N386 PolarHBondContact O-N 2.87Å; N386-R388 PolarHBondContact O-N 3.14Å; N386-K389 PolarHBondContact O-N 3.16Å; N386-A390 PolarHBondContact O-N 3.08Å
387	Y	46.8	Very low	45.2	Very low	23 Å²	23	97.9 Å²	97.9	9%	0.09	48%	0.484	C	S	.	.	H	α-helix	trans	-53.5	-49.7	173.4	173.4	-118.7	0	0	0	112.7	L383 K389 A390 K391 Y402 L405 E406 V409	L383-Y387 WeakPolarHBondContact O-CB 3.13Å; L383-Y387 PolarHBondContact O-N 3.29Å; Y387-K389 VanDerWaalsContact C-N 3.28Å; Y387-K389 PolarHBondContact O-N 3.38Å; Y387-A390 PolarHBondContact O-N 3.3Å; Y387-K391 PolarHBondContact O-N 3.3Å; Y387-Y402 HydrophobicContact CD2-CD1 4.1Å; Y387-Y402 HydrophobicContact CD2-CE1 4.38Å; Y387-L405 HydrophobicContact CD2-CD2 3.66Å; Y387-L405 HydrophobicContact CD2-CG 4.02Å; Y387-L405 HydrophobicContact CE2-CD2 4.4Å; Y387-L405 HydrophobicContact CE2-CG 4.32Å; Y387-L405 HydrophobicContact CG-CD2 4Å; Y387-L405 HydrophobicContact CG-CG 4.43Å; Y387-E406 HydrophobicContact CE2-CB 4.45Å; Y387-E406 WeakPolarHBondContact OH-CG 3.34Å; Y387-V409 HydrophobicContact CE1-CG2 3.96Å
388	R	48.9	Very low	45.3	Very low	164 Å²	164	96.7 Å²	96.7	62%	0.619	49%	0.489	S	S	*	.	H	α-helix	trans	-63.1	-30.6	176.7	-83.3	176.4	-72.5	170.7	-4.6	113.5	L384 R385 N386 S392	L384-R388 PolarHBondContact O-NE 3.14Å; L384-R388 PolarHBondContact O-NH2 3Å; R385-R388 PolarHBondContact O-N 2.8Å; N386-R388 PolarHBondContact O-N 3.14Å; R388-S392 PolarHBondContact O-N 3.27Å; R388-S392 PolarHBondContact O-OG 3.28Å
389	K	44.8	Very low	45.1	Very low	156 Å²	156	91.7 Å²	91.7	68%	0.678	48%	0.476	S	S	*	.	H	α-helix	trans	-76.5	-32.2	175.9	-164.5	-176.5	180	-170	0	112.4	R385 N386 Y387 S392 S393	R385-K389 PolarHBondContact O-N 2.8Å; N386-K389 PolarHBondContact O-N 3.16Å; Y387-K389 VanDerWaalsContact C-N 3.28Å; Y387-K389 PolarHBondContact O-N 3.38Å; K389-S392 PolarHBondContact O-OG 2.79Å; K389-S392 VanDerWaalsContact O-OG 3.11Å; K389-S393 PolarHBondContact O-OG 3.3Å
390	A	42.7	Very low	44.9	Very low	9 Å²	9	89.8 Å²	89.8	7%	0.074	48%	0.481	C	S	.	.	H	α-helix	trans	-73	-45.3	174.6	0	0	0	0	0	111.8	N386 Y387 S392 S393 H394 Y402	N386-A390 PolarHBondContact O-N 3.08Å; Y387-A390 PolarHBondContact O-N 3.3Å; A390-S392 PolarHBondContact O-N 2.74Å; A390-S392 VanDerWaalsContact O-N 3.16Å; A390-S393 WeakPolarHBondContact CA-OG 3.36Å; A390-S393 PolarHBondContact O-N 3.35Å; A390-S393 PolarHBondContact O-OG 3.03Å; A390-S393 VanDerWaalsContact O-OG 3.05Å; A390-H394 PolarHBondContact O-N 3.2Å; A390-H394 VanDerWaalsContact O-N 3.14Å; A390-H394 PolarHBondContact O-ND1 3.31Å; A390-Y402 HydrophobicContact CB-CD1 4.1Å; A390-Y402 HydrophobicContact CB-CE1 3.29Å; A390-Y402 HydrophobicContact CB-CE2 4.41Å; A390-Y402 VanDerWaalsContact CB-CZ 3.47Å; A390-Y402 WeakPolarHBondContact CB-OH 3.07Å
391	K	47.2	Very low	44.7	Very low	131 Å²	131	91 Å²	91	57%	0.57	48%	0.482	S	S	*	.	H	α-helix	trans	-61.3	-21.9	176.4	-178.7	157.7	-178.7	151.2	0	113.7	Y387 E406	Y387-K391 PolarHBondContact O-N 3.3Å; K391-E406 IonicContact NZ-OE1 3.8Å; K391-E406 PolarHBondContact NZ-OE1 2.99Å
392	S	46.1	Very low	44.7	Very low	96 Å²	96	87.9 Å²	87.9	67%	0.671	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.1	15.9	172.3	74.3	0	0	0	0	114	R388 K389 A390	R388-S392 PolarHBondContact O-N 3.27Å; R388-S392 PolarHBondContact O-OG 3.28Å; K389-S392 PolarHBondContact O-OG 2.79Å; K389-S392 VanDerWaalsContact O-OG 3.11Å; A390-S392 PolarHBondContact O-N 2.74Å; A390-S392 VanDerWaalsContact O-N 3.16Å
393	S	43.9	Very low	44.8	Very low	78 Å²	78	89.9 Å²	89.9	55%	0.545	47%	0.474	S	S	.	.	T	Hydrogen-bonded Turn	trans	-147.4	-4.4	-175.9	51.2	0	0	0	0	116	K389 A390	K389-S393 PolarHBondContact O-OG 3.3Å; A390-S393 WeakPolarHBondContact CA-OG 3.36Å; A390-S393 PolarHBondContact O-N 3.35Å; A390-S393 PolarHBondContact O-OG 3.03Å; A390-S393 VanDerWaalsContact O-OG 3.05Å
394	H	42.3	Very low	45	Very low	118 Å²	118	90.6 Å²	90.6	55%	0.546	48%	0.476	S	S	.	.	S	Bend	trans	-137.2	137.5	-179.1	-61.1	70.8	0	0	0	110.5	A390	A390-H394 PolarHBondContact O-N 3.2Å; A390-H394 VanDerWaalsContact O-N 3.14Å; A390-H394 PolarHBondContact O-ND1 3.31Å
395	P	43.8	Very low	45.2	Very low	92 Å²	92	89 Å²	89	60%	0.597	47%	0.468	S	S	*	.			trans	-64	153.2	167.3	-20.1	33.2	0	0	0	111.9	T398	P395-T398 PolarHBondContact O-OG1 3.2Å
396	P	40.2	Very low	45.6	Very low	119 Å²	119	82.5 Å²	82.5	77%	0.773	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	152.9	169.3	-23.3	34.7	0	0	0	112.4
397	G	47.9	Very low	46.1	Very low	53 Å²	53	80.3 Å²	80.3	55%	0.546	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.4	-7.6	177.6	0	0	0	0	0	116.4	E403	G397-E403 WeakPolarHBondContact CA-OE1 3.49Å
398	T	46.7	Very low	46.3	Very low	92 Å²	92	80 Å²	80	56%	0.564	44%	0.439	S	S	*	.	S	Bend	trans	-83.9	-7.6	-172.8	49.3	0	0	0	0	115.6	P395	P395-T398 PolarHBondContact O-OG1 3.2Å
399	C	40.9	Very low	46.5	Very low	48 Å²	48	74.2 Å²	74.2	32%	0.324	42%	0.422	S	S	.	.			trans	-165.1	121.8	178.5	-177.2	0	0	0	0	113.2	F401 Y402 E403	C399-F401 PolarHBondContact O-N 3.39Å; C399-F401 VanDerWaalsContact O-N 3.11Å; C399-Y402 HydrophobicContact CB-CD2 3.97Å; C399-Y402 PolarHBondContact O-N 3.26Å; C399-E403 PolarHBondContact O-N 2.85Å
400	P	43.3	Very low	47.1	Very low	90 Å²	90	73.1 Å²	73.1	58%	0.584	41%	0.413	S	S	*	.	H	α-helix	trans	-57.2	-30.9	-177.8	-28.6	35.6	0	0	0	115.2	Y402 E403 E404	P400-Y402 VanDerWaalsContact C-N 3.26Å; P400-Y402 PolarHBondContact O-N 3.43Å; P400-E403 PolarHBondContact O-N 3.08Å; P400-E404 PolarHBondContact O-N 3.04Å
401	F	38.7	Very low	47.5	Very low	80 Å²	80	74.6 Å²	74.6	35%	0.351	43%	0.426	S	S	.	.	H	α-helix	trans	-62.4	-31.8	176.4	175.4	-94.3	0	0	0	113	C399 L405 F503	C399-F401 PolarHBondContact O-N 3.39Å; C399-F401 VanDerWaalsContact O-N 3.11Å; F401-L405 WeakPolarHBondContact O-CB 3.49Å; F401-L405 PolarHBondContact O-N 3.46Å; F401-F503 AromaticContact CD2-CE2 3.92Å; F401-F503 HydrophobicContact CD2-CE2 3.92Å; F401-F503 HydrophobicContact CE2-CD2 4.38Å; F401-F503 AromaticContact CE2-CE2 3.39Å; F401-F503 HydrophobicContact CE2-CE2 3.39Å; F401-F503 AromaticContact CE2-CZ 3.67Å; F401-F503 HydrophobicContact CE2-CZ 3.67Å; F401-F503 AromaticContact CZ-CE2 3.83Å; F401-F503 HydrophobicContact CZ-CE2 3.83Å; F401-F503 AromaticContact CZ-CZ 3.73Å; F401-F503 HydrophobicContact CZ-CZ 3.73Å
402	Y	49.4	Very low	47.5	Very low	90 Å²	90	71.8 Å²	71.8	35%	0.353	41%	0.412	S	S	.	.	H	α-helix	trans	-82.6	-26.3	176.2	-78	-78	0	0	0	112.4	Y387 A390 C399 P400 E406	Y387-Y402 HydrophobicContact CD2-CD1 4.1Å; Y387-Y402 HydrophobicContact CD2-CE1 4.38Å; A390-Y402 HydrophobicContact CB-CD1 4.1Å; A390-Y402 HydrophobicContact CB-CE1 3.29Å; A390-Y402 HydrophobicContact CB-CE2 4.41Å; A390-Y402 VanDerWaalsContact CB-CZ 3.47Å; A390-Y402 WeakPolarHBondContact CB-OH 3.07Å; C399-Y402 HydrophobicContact CB-CD2 3.97Å; C399-Y402 PolarHBondContact O-N 3.26Å; P400-Y402 VanDerWaalsContact C-N 3.26Å; P400-Y402 PolarHBondContact O-N 3.43Å; Y402-E406 VanDerWaalsContact O-CB 3.24Å; Y402-E406 WeakPolarHBondContact O-CB 3.46Å; Y402-E406 PolarHBondContact O-N 3.41Å
403	E	49.1	Very low	47.8	Very low	90 Å²	90	71.5 Å²	71.5	42%	0.421	41%	0.406	S	S	.	.	H	α-helix	trans	-72.7	-43.6	175.5	-61.9	-174.4	131.5	0	0	111.8	G397 C399 P400 L405 E406 A407	G397-E403 WeakPolarHBondContact CA-OE1 3.49Å; C399-E403 PolarHBondContact O-N 2.85Å; P400-E403 PolarHBondContact O-N 3.08Å; E403-L405 VanDerWaalsContact C-N 3.31Å; E403-L405 PolarHBondContact O-N 3.35Å; E403-E406 PolarHBondContact O-N 3.45Å; E403-A407 VanDerWaalsContact O-CB 3.27Å; E403-A407 WeakPolarHBondContact O-CB 3.28Å; E403-A407 PolarHBondContact O-N 3.38Å
404	E	48.4	Very low	48	Very low	69 Å²	69	70.6 Å²	70.6	32%	0.322	40%	0.403	S	S	.	.	H	α-helix	trans	-57.6	-44.4	170.9	-73	179.9	165.2	0	0	111.4	P400 A407 L408 K506	P400-E404 PolarHBondContact O-N 3.04Å; E404-A407 PolarHBondContact O-N 3.1Å; E404-L408 PolarHBondContact O-N 3.24Å; E404-K506 IonicContact OE1-NZ 3.77Å; E404-K506 PolarHBondContact OE1-NZ 3.39Å; E404-K506 IonicContact OE2-NZ 3.69Å; E404-K506 PolarHBondContact OE2-NZ 2.82Å
405	L	49.2	Very low	48.2	Very low	11 Å²	11	67.6 Å²	67.6	6%	0.058	39%	0.39	C	S	.	.	H	α-helix	trans	-70.3	-35	-179.6	-172.4	59.5	0	0	0	112.4	Y387 F401 E403 V409 F503	Y387-L405 HydrophobicContact CD2-CD2 3.66Å; Y387-L405 HydrophobicContact CD2-CG 4.02Å; Y387-L405 HydrophobicContact CE2-CD2 4.4Å; Y387-L405 HydrophobicContact CE2-CG 4.32Å; Y387-L405 HydrophobicContact CG-CD2 4Å; Y387-L405 HydrophobicContact CG-CG 4.43Å; F401-L405 WeakPolarHBondContact O-CB 3.49Å; F401-L405 PolarHBondContact O-N 3.46Å; E403-L405 VanDerWaalsContact C-N 3.31Å; E403-L405 PolarHBondContact O-N 3.35Å; L405-V409 WeakPolarHBondContact O-CG2 3.4Å; L405-V409 PolarHBondContact O-N 2.76Å; L405-F503 HydrophobicContact CB-CE2 4.43Å; L405-F503 HydrophobicContact CD1-CE2 4.39Å; L405-F503 HydrophobicContact CD1-CZ 4.03Å
406	E	54.9	Low	48	Very low	29 Å²	29	70.4 Å²	70.4	14%	0.136	39%	0.389	C	S	.	.	H	α-helix	trans	-75.9	-32.3	174.3	-169.9	172.8	-114	0	0	112.1	Y387 K391 Y402 E403 V409 R410	Y387-E406 HydrophobicContact CE2-CB 4.45Å; Y387-E406 WeakPolarHBondContact OH-CG 3.34Å; K391-E406 IonicContact NZ-OE1 3.8Å; K391-E406 PolarHBondContact NZ-OE1 2.99Å; Y402-E406 VanDerWaalsContact O-CB 3.24Å; Y402-E406 WeakPolarHBondContact O-CB 3.46Å; Y402-E406 PolarHBondContact O-N 3.41Å; E403-E406 PolarHBondContact O-N 3.45Å; E406-V409 CarbonylContact O-C 3.53Å; E406-V409 PolarHBondContact O-N 3.13Å; E406-R410 VanDerWaalsContact CD-NH1 3.33Å; E406-R410 WeakPolarHBondContact O-CB 3.46Å; E406-R410 WeakPolarHBondContact O-CG 3.15Å; E406-R410 PolarHBondContact O-N 3.38Å; E406-R410 IonicContact OE2-CZ 3.17Å; E406-R410 IonicContact OE2-NH1 2.74Å; E406-R410 PolarHBondContact OE2-NH1 3.42Å; E406-R410 IonicContact OE2-NH2 2.83Å; E406-R410 PolarHBondContact OE2-NH2 3.2Å
407	A	53.6	Low	48.1	Very low	48 Å²	48	68.7 Å²	68.7	40%	0.397	39%	0.385	S	S	.	.	H	α-helix	trans	-62.5	-42.4	169.6	0	0	0	0	0	111.4	E403 E404 V409 R410 A411	E403-A407 VanDerWaalsContact O-CB 3.27Å; E403-A407 WeakPolarHBondContact O-CB 3.28Å; E403-A407 PolarHBondContact O-N 3.38Å; E404-A407 PolarHBondContact O-N 3.1Å; A407-V409 VanDerWaalsContact C-N 3.25Å; A407-V409 PolarHBondContact O-N 3.27Å; A407-R410 PolarHBondContact O-N 2.89Å; A407-R410 VanDerWaalsContact O-N 3.14Å; A407-A411 WeakPolarHBondContact O-CB 3.21Å; A407-A411 PolarHBondContact O-N 3.17Å
408	L	50.7	Low	47.9	Very low	18 Å²	18	71.1 Å²	71.1	9%	0.094	39%	0.389	C	S	.	.	H	α-helix	trans	-59.6	-34.2	171.7	-118.4	157.3	0	0	0	112.7	E404 R412 F494 I497 L498	E404-L408 PolarHBondContact O-N 3.24Å; L408-R412 PolarHBondContact O-N 3.4Å; L408-F494 HydrophobicContact CD2-CE2 4.25Å; L408-I497 HydrophobicContact CD2-CG2 3.88Å; L408-L498 HydrophobicContact CD1-CD2 3.72Å; L408-L498 HydrophobicContact CD2-CD2 3.88Å; L408-L498 HydrophobicContact CD2-CG 4.02Å; L408-L498 HydrophobicContact CG-CD2 4.45Å
409	V	53.4	Low	47.3	Very low	42 Å²	42	72.1 Å²	72.1	26%	0.255	39%	0.391	S	S	.	.	H	α-helix	trans	-78	-33.7	174.2	171.9	0	0	0	0	112.1	Y387 L405 E406 A407 R412 T413	Y387-V409 HydrophobicContact CE1-CG2 3.96Å; L405-V409 WeakPolarHBondContact O-CG2 3.4Å; L405-V409 PolarHBondContact O-N 2.76Å; E406-V409 CarbonylContact O-C 3.53Å; E406-V409 PolarHBondContact O-N 3.13Å; A407-V409 VanDerWaalsContact C-N 3.25Å; A407-V409 PolarHBondContact O-N 3.27Å; V409-R412 WeakPolarHBondContact O-CB 3.35Å; V409-R412 PolarHBondContact O-N 3.47Å; V409-T413 PolarHBondContact O-N 3.37Å; V409-T413 PolarHBondContact O-OG1 2.83Å
410	R	56.5	Low	47	Very low	132 Å²	132	72.2 Å²	72.2	50%	0.498	40%	0.401	S	S	.	.	H	α-helix	trans	-67.5	-41.4	173.2	-79.4	-174	-90.3	-99.7	-6.3	112	E406 A407 R412 T413 A414	E406-R410 VanDerWaalsContact CD-NH1 3.33Å; E406-R410 WeakPolarHBondContact O-CB 3.46Å; E406-R410 WeakPolarHBondContact O-CG 3.15Å; E406-R410 PolarHBondContact O-N 3.38Å; E406-R410 IonicContact OE2-CZ 3.17Å; E406-R410 IonicContact OE2-NH1 2.74Å; E406-R410 PolarHBondContact OE2-NH1 3.42Å; E406-R410 IonicContact OE2-NH2 2.83Å; E406-R410 PolarHBondContact OE2-NH2 3.2Å; A407-R410 PolarHBondContact O-N 2.89Å; A407-R410 VanDerWaalsContact O-N 3.14Å; R410-R412 VanDerWaalsContact C-N 3.31Å; R410-R412 PolarHBondContact O-N 2.72Å; R410-T413 WeakPolarHBondContact CA-OG1 3.33Å; R410-T413 PolarHBondContact O-N 2.91Å; R410-T413 VanDerWaalsContact O-N 3.08Å; R410-T413 PolarHBondContact O-OG1 2.82Å; R410-A414 PolarHBondContact O-N 3.18Å
411	A	51.8	Low	46.6	Very low	41 Å²	41	74.6 Å²	74.6	34%	0.339	42%	0.416	S	S	.	.	H	α-helix	trans	-59	-42	172.7	0	0	0	0	0	111.5	A407 T413 A414 I415	A407-A411 WeakPolarHBondContact O-CB 3.21Å; A407-A411 PolarHBondContact O-N 3.17Å; A411-T413 VanDerWaalsContact C-N 3.33Å; A411-T413 PolarHBondContact O-N 2.87Å; A411-A414 PolarHBondContact O-N 2.85Å; A411-A414 VanDerWaalsContact O-N 3.14Å; A411-I415 WeakPolarHBondContact O-CG1 3.34Å; A411-I415 PolarHBondContact O-N 3.2Å
412	R	47	Very low	46.2	Very low	72 Å²	72	74.5 Å²	74.5	27%	0.272	44%	0.437	S	S	.	.	H	α-helix	trans	-60.3	-38.3	172.8	-177.6	-177.4	175	-133.5	-4.1	112.8	L408 V409 R410 A414 R416 E490 F494	L408-R412 PolarHBondContact O-N 3.4Å; V409-R412 WeakPolarHBondContact O-CB 3.35Å; V409-R412 PolarHBondContact O-N 3.47Å; R410-R412 VanDerWaalsContact C-N 3.31Å; R410-R412 PolarHBondContact O-N 2.72Å; R412-A414 VanDerWaalsContact C-N 3.35Å; R412-R416 PolarHBondContact O-N 3.44Å; R412-E490 IonicContact NH2-OE2 3.48Å; R412-F494 HydrophobicContact CB-CD2 4.37Å; R412-F494 HydrophobicContact CG-CD2 4.46Å
413	T	51.3	Low	45.3	Very low	90 Å²	90	79.9 Å²	79.9	55%	0.552	47%	0.466	S	S	*	.	H	α-helix	trans	-71.7	-27.7	175.2	43.8	0	0	0	0	113.4	V409 R410 A411	V409-T413 PolarHBondContact O-N 3.37Å; V409-T413 PolarHBondContact O-OG1 2.83Å; R410-T413 WeakPolarHBondContact CA-OG1 3.33Å; R410-T413 PolarHBondContact O-N 2.91Å; R410-T413 VanDerWaalsContact O-N 3.08Å; R410-T413 PolarHBondContact O-OG1 2.82Å; A411-T413 VanDerWaalsContact C-N 3.33Å; A411-T413 PolarHBondContact O-N 2.87Å
414	A	47.8	Very low	44.3	Very low	58 Å²	58	80 Å²	80	48%	0.479	48%	0.482	S	S	.	.	H	α-helix	trans	-71.6	-44.4	173.7	0	0	0	0	0	112.3	R410 A411 R412 R416 A417 T418	R410-A414 PolarHBondContact O-N 3.18Å; A411-A414 PolarHBondContact O-N 2.85Å; A411-A414 VanDerWaalsContact O-N 3.14Å; R412-A414 VanDerWaalsContact C-N 3.35Å; A414-R416 PolarHBondContact O-N 2.91Å; A414-A417 WeakPolarHBondContact O-CA 3.22Å; A414-A417 WeakPolarHBondContact O-CB 3.39Å; A414-A417 PolarHBondContact O-N 3.45Å; A414-T418 PolarHBondContact O-N 3.24Å
415	I	46.8	Very low	43.1	Very low	55 Å²	55	83.2 Å²	83.2	28%	0.282	51%	0.506	S	S	.	.	H	α-helix	trans	-57	-38.2	174.5	-65.7	161.8	0	0	0	110.8	A411 A417 T418 D419 I497	A411-I415 WeakPolarHBondContact O-CG1 3.34Å; A411-I415 PolarHBondContact O-N 3.2Å; I415-A417 PolarHBondContact O-N 2.93Å; I415-A417 VanDerWaalsContact O-N 3.16Å; I415-T418 WeakPolarHBondContact CA-OG1 3.29Å; I415-T418 PolarHBondContact O-N 3.35Å; I415-T418 PolarHBondContact O-OG1 3.21Å; I415-D419 PolarHBondContact O-N 3.47Å; I415-I497 HydrophobicContact CD1-CD1 3.5Å; I415-I497 VanDerWaalsContact CD1-CD1 3.5Å
416	R	41.2	Very low	42	Very low	152 Å²	152	87.3 Å²	87.3	57%	0.574	54%	0.541	S	S	*	.	H	α-helix	trans	-69.9	-7.2	176.8	-155.7	170.4	-171.7	-102.6	-5.5	114.5	R412 A414 E490	R412-R416 PolarHBondContact O-N 3.44Å; A414-R416 PolarHBondContact O-N 2.91Å; R416-E490 IonicContact NE-OE1 3.45Å; R416-E490 PolarHBondContact NE-OE1 3.22Å; R416-E490 VanDerWaalsContact NE-OE1 3.1Å
417	A	42.1	Very low	40.7	Very low	83 Å²	83	92.7 Å²	92.7	69%	0.686	57%	0.571	S	S	*	*	H	α-helix	trans	-99.1	-15.4	170.7	0	0	0	0	0	112.8	A414 I415	A414-A417 WeakPolarHBondContact O-CA 3.22Å; A414-A417 WeakPolarHBondContact O-CB 3.39Å; A414-A417 PolarHBondContact O-N 3.45Å; I415-A417 PolarHBondContact O-N 2.93Å; I415-A417 VanDerWaalsContact O-N 3.16Å
418	T	43.9	Very low	39.8	Very low	104 Å²	104	96 Å²	96	64%	0.638	59%	0.588	S	S	*	*	H	α-helix	trans	-94.6	-16.8	177.9	54.3	0	0	0	0	113.9	A414 I415 G420	A414-T418 PolarHBondContact O-N 3.24Å; I415-T418 WeakPolarHBondContact CA-OG1 3.29Å; I415-T418 PolarHBondContact O-N 3.35Å; I415-T418 PolarHBondContact O-OG1 3.21Å; T418-G420 PolarHBondContact O-N 2.85Å
419	D	33.2	Very low	39	Very low	112 Å²	112	104.3 Å²	104.3	60%	0.599	62%	0.618	S	S	*	*	S	Bend	trans	-82.7	14.2	178.2	-68.2	-18	0	0	0	113.8	I415	I415-D419 PolarHBondContact O-N 3.47Å
420	G	34.6	Very low	37.7	Very low	51 Å²	51	108 Å²	108	53%	0.526	64%	0.636	S	S	.	*	S	Bend	trans	-89.2	131	165.5	0	0	0	0	0	109.7	T418 G422	T418-G420 PolarHBondContact O-N 2.85Å; G420-G422 PolarHBondContact O-N 3.43Å
421	P	34.6	Very low	36.3	Very low	139 Å²	139	104.7 Å²	104.7	90%	0.903	64%	0.643	S	S	*	*			trans	-68.4	108.1	-177.7	27.7	-33.8	0	0	0	110.3
422	G	31.6	Very low	35.1	Very low	78 Å²	78	109.7 Å²	109.7	80%	0.804	66%	0.664	S	S	*	*			trans	-93.4	125.9	163.7	0	0	0	0	0	110	G420	G420-G422 PolarHBondContact O-N 3.43Å
423	E	28.8	Very low	34.3	Very low	204 Å²	204	111.8 Å²	111.8	95%	0.953	69%	0.689	S	S	*	*			trans	-124.2	149.8	152	-163	149.5	-137.1	0	0	107.1
424	A	28.1	Very low	33	Very low	91 Å²	91	115.3 Å²	115.3	75%	0.752	71%	0.705	S	S	*	*			trans	-115.3	-177.5	-142.9	0	0	0	0	0	115.3
425	V	24.8	Very low	32	Very low	137 Å²	137	117.5 Å²	117.5	83%	0.83	72%	0.723	S	S	*	*			trans	112.5	118.2	153.9	-176.2	0	0	0	0	117.1
426	A	25.1	Very low	30.9	Very low	97 Å²	97	123.9 Å²	123.9	80%	0.802	75%	0.752	S	S	*	*			trans	67.5	141.5	153.7	0	0	0	0	0	122.4
427	L	28.5	Very low	30.1	Very low	143 Å²	143	124.3 Å²	124.3	75%	0.749	76%	0.762	S	S	*	*			trans	-116.8	157.2	169.5	-100.4	167.6	0	0	0	108.4
428	P	33.4	Very low	29.3	Very low	118 Å²	118	127.1 Å²	127.1	77%	0.766	77%	0.765	S	S	*	*				-125.2	153.5	81.2	6.9	16.7	0	0	0	112.5
429	R	34.9	Very low	28.6	Very low	191 Å²	191	128.9 Å²	128.9	72%	0.721	77%	0.767	S	S	*	*				60	133.1	62.2	-67.1	-73.9	-175.7	165.8	-0.4	111.7
430	L	26.5	Very low	28.3	Very low	121 Å²	121	131 Å²	131	63%	0.634	77%	0.773	S	S	*	*			cis	-128.3	-173.8	27.4	-64.8	155	0	0	0	111	E221	E221-L430 WeakPolarHBondContact O-CD1 3.45Å
431	G	26	Very low	28	Very low	62 Å²	62	136.4 Å²	136.4	64%	0.639	78%	0.784	S	S	*	*			cis	-173.6	172.8	0.5	0	0	0	0	0	111.4
432	D	26.5	Very low	27.7	Very low	145 Å²	145	138.6 Å²	138.6	78%	0.775	78%	0.782	S	S	*	*			trans	-89.6	170.4	-166.6	-45.1	-91.9	0	0	0	114.1
433	S	31.1	Very low	27.3	Very low	116 Å²	116	138.4 Å²	138.4	81%	0.811	78%	0.781	S	S	*	*				-177.7	174.8	87.6	-59	0	0	0	0	114.2
434	D	24.5	Very low	27.1	Very low	164 Å²	164	132.1 Å²	132.1	88%	0.877	77%	0.77	S	S	*	*			trans	-78	166.2	-169.6	-41.5	-88.5	0	0	0	118.4
435	A	25	Very low	26.8	Very low	104 Å²	104	139.7 Å²	139.7	86%	0.86	78%	0.78	S	S	*	*			trans	-172.5	165.7	137.8	0	0	0	0	0	113
436	E	25.5	Very low	26.7	Very low	190 Å²	190	141.6 Å²	141.6	89%	0.888	78%	0.78	S	S	*	*			trans	-103.4	171.9	-173.8	-58.3	-179.5	119.8	0	0	115
437	M	23.6	Very low	27.7	Very low	160 Å²	160	142.2 Å²	142.2	79%	0.788	78%	0.775	S	S	*	*			trans	122.3	92.2	149.6	-62	-127.2	64.9	0	0	118.3
438	D	26.2	Very low	27.5	Very low	142 Å²	142	144.5 Å²	144.5	76%	0.759	78%	0.782	S	S	*	*				58.3	159.7	113.9	-125.6	-22.5	0	0	0	124.7
439	E	28.9	Very low	27.3	Very low	142 Å²	142	147.6 Å²	147.6	66%	0.664	79%	0.786	S	S	*	*			trans	70.4	121.4	163.8	-55.7	-130	100	0	0	122
440	Q	27.2	Very low	26.8	Very low	155 Å²	155	147 Å²	147	72%	0.724	79%	0.794	S	S	*	*			trans	60.3	160.2	133.3	-60.7	177.6	33.1	0	0	121.3
441	E	28	Very low	26.9	Very low	166 Å²	166	145.1 Å²	145.1	78%	0.776	80%	0.796	S	S	*	*			cis	-159.8	161.1	-41.6	-156.5	-178.5	-165.3	0	0	108.7
442	E	26.5	Very low	27	Very low	184 Å²	184	151.5 Å²	151.5	86%	0.86	81%	0.809	S	S	*	*			trans	55.2	159.4	165.3	-65.8	-141.5	119.8	0	0	122.6
443	G	25.1	Very low	27	Very low	75 Å²	75	152 Å²	152	77%	0.773	81%	0.812	S	S	*	*			trans	80.6	118.8	161.8	0	0	0	0	0	117.8
444	G	23.1	Very low	26.7	Very low	71 Å²	71	152.7 Å²	152.7	73%	0.732	82%	0.815	S	S	*	*			cis	108.9	83.9	-4.7	0	0	0	0	0	114.5
445	W	21.7	Very low	26.8	Very low	250 Å²	250	152.7 Å²	152.7	95%	0.947	82%	0.815	S	S	*	*			trans	-141.1	140.4	170.2	-80.1	96.9	0	0	0	112.8
446	E	23.2	Very low	26.8	Very low	178 Å²	178	151.6 Å²	151.6	83%	0.832	81%	0.814	S	S	*	*			trans	-102.5	170.1	166	-89.6	-91.3	135.2	0	0	109
447	P	45.5	Very low	26.7	Very low	109 Å²	109	147.8 Å²	147.8	71%	0.708	82%	0.815	S	S	*	*			trans	-96.6	175	-161.5	39	-37.3	0	0	0	114.7
448	E	25.5	Very low	26.7	Very low	191 Å²	191	143.4 Å²	143.4	89%	0.893	81%	0.811	S	S	*	*			trans	-144.5	166.5	158.3	-150.6	161.1	-136.8	0	0	112
449	E	28.7	Very low	26.7	Very low	183 Å²	183	144.2 Å²	144.2	86%	0.855	81%	0.814	S	S	*	*			trans	-111.8	-144.2	-168.2	-55.5	-174.2	131.2	0	0	112.8
450	M	25.3	Very low	26.4	Very low	179 Å²	179	142.8 Å²	142.8	88%	0.882	82%	0.815	S	S	*	*			trans	85.7	137.7	177.8	-53.1	-64.8	-176.5	0	0	116.4
451	A	28.2	Very low	26.2	Very low	82 Å²	82	140.9 Å²	140.9	68%	0.678	81%	0.814	S	S	*	*			cis	-165.7	-176.2	-14.5	0	0	0	0	0	111.4
452	E	27.1	Very low	26	Very low	196 Å²	196	139.6 Å²	139.6	92%	0.916	81%	0.813	S	S	*	*			trans	113.5	133.3	152.2	-57.2	-160	143.8	0	0	119.1
453	D	26.9	Very low	25.9	Very low	155 Å²	155	139.2 Å²	139.2	83%	0.829	81%	0.811	S	S	*	*			trans	-98.6	158.3	-178	-82	-63.5	0	0	0	112
454	C	24.1	Very low	25.9	Very low	130 Å²	130	140.5 Å²	140.5	88%	0.878	81%	0.808	S	S	*	*			trans	-166.9	150.2	131.1	-117.7	0	0	0	0	113.3
455	N	27	Very low	26.3	Very low	165 Å²	165	142.3 Å²	142.3	88%	0.882	81%	0.805	S	S	*	*			trans	-107.4	148.8	173	-78.2	-83.8	0	0	0	111.4
456	G	24.9	Very low	26.6	Very low	81 Å²	81	139.4 Å²	139.4	84%	0.835	80%	0.802	S	S	*	*			trans	178.3	150.7	172.5	0	0	0	0	0	112.5
457	A	24.8	Very low	26.7	Very low	110 Å²	110	134.2 Å²	134.2	91%	0.909	80%	0.796	S	S	*	*			trans	-149	156.2	-169.1	0	0	0	0	0	115.6
458	G	23.6	Very low	26.2	Very low	68 Å²	68	134.4 Å²	134.4	70%	0.701	80%	0.797	S	S	*	*			trans	92.2	157	173.1	0	0	0	0	0	115
459	L	24.7	Very low	26.3	Very low	158 Å²	158	136.9 Å²	136.9	83%	0.827	80%	0.798	S	S	*	*			cis	-157.1	129.3	-5	-127.4	90.9	0	0	0	106.7
460	V	23	Very low	26.2	Very low	112 Å²	112	136.4 Å²	136.4	68%	0.679	80%	0.8	S	S	*	*				93.1	151.2	96.5	152.1	0	0	0	0	116.4
461	T	23.9	Very low	26.1	Very low	115 Å²	115	132.7 Å²	132.7	71%	0.706	80%	0.797	S	S	*	*			trans	64.8	150.6	178.7	56	0	0	0	0	118.5
462	D	23	Very low	26	Very low	140 Å²	140	132.6 Å²	132.6	75%	0.749	81%	0.805	S	S	*	*			cis	-170	169.9	-22.4	-93.6	-14.8	0	0	0	106.9
463	E	25.2	Very low	25.9	Very low	176 Å²	176	127.8 Å²	127.8	82%	0.822	80%	0.799	S	S	*	*			cis	-160.9	165.8	-30.1	173.4	165.8	-117.6	0	0	106.5
464	S	25.1	Very low	26.5	Very low	101 Å²	101	126.5 Å²	126.5	71%	0.706	80%	0.799	S	S	*	*			trans	75.6	147.5	174	-144.1	0	0	0	0	114.6
465	T	30.2	Very low	26.5	Very low	110 Å²	110	124.8 Å²	124.8	68%	0.675	79%	0.794	S	S	*	*			cis	-144.1	147.2	18.4	-42	0	0	0	0	111.7
466	Q	28.3	Very low	26.6	Very low	189 Å²	189	125.1 Å²	125.1	88%	0.883	80%	0.795	S	S	*	*			trans	65.3	141.1	167.3	-126	80.3	0.7	0	0	119.1
467	G	26	Very low	26.6	Very low	68 Å²	68	130.8 Å²	130.8	70%	0.701	80%	0.797	S	S	*	*			trans	-170.1	-160.5	171.4	0	0	0	0	0	111.2
468	P	35.7	Very low	27	Very low	113 Å²	113	134.5 Å²	134.5	73%	0.734	80%	0.795	S	S	*	*			cis	-141.3	150.1	-11.1	38.4	-20.6	0	0	0	116.4
469	R	26.7	Very low	27.1	Very low	244 Å²	244	135.7 Å²	135.7	92%	0.921	79%	0.793	S	S	*	*			trans	69.5	156.6	158.9	-61.2	165.3	-169.3	-167.2	2.2	115
470	I	26.2	Very low	27.7	Very low	173 Å²	173	140.2 Å²	140.2	89%	0.887	80%	0.799	S	S	*	*			cis	-117.5	160.1	24.3	-64.6	166.7	0	0	0	111.9
471	A	24.6	Very low	27.8	Very low	100 Å²	100	143 Å²	143	83%	0.826	81%	0.808	S	S	*	*			trans	-120.7	163.7	-173	0	0	0	0	0	113.8
472	G	25	Very low	28.2	Very low	81 Å²	81	141.4 Å²	141.4	84%	0.835	81%	0.807	S	S	*	*			trans	144.6	44.3	159.4	0	0	0	0	0	120.8
473	A	24.5	Very low	28.7	Very low	95 Å²	95	138.1 Å²	138.1	79%	0.785	81%	0.806	S	S	*	*			trans	-159.7	164.4	168	0	0	0	0	0	110.3
474	P	40.4	Very low	29	Very low	128 Å²	128	136.3 Å²	136.3	83%	0.831	81%	0.807	S	S	*	*			cis	-104.4	-164.3	-4.4	40.1	-26.3	0	0	0	110.8
475	A	24.3	Very low	29.3	Very low	94 Å²	94	140.2 Å²	140.2	78%	0.777	81%	0.813	S	S	*	*			cis	-152.4	173.6	25.6	0	0	0	0	0	116.4
476	L	29.4	Very low	29.8	Very low	172 Å²	172	139.5 Å²	139.5	90%	0.901	80%	0.798	S	S	*	*			trans	-80.3	126.9	-164.1	-59.6	164	0	0	0	113.5
477	F	23.4	Very low	30.2	Very low	199 Å²	199	132 Å²	132	87%	0.873	77%	0.771	S	S	*	*			trans	-94.9	115.1	160.1	-120	-77.9	0	0	0	110.4
478	Q	33.7	Very low	30.8	Very low	189 Å²	189	133.1 Å²	133.1	88%	0.883	76%	0.755	S	S	*	*			trans	-78.5	122	170.1	-68.2	-172.1	2.9	0	0	110.5
479	S	25.7	Very low	31.1	Very low	93 Å²	93	132 Å²	132	65%	0.65	74%	0.74	S	S	*	*			trans	-144.3	58.7	173.9	55	0	0	0	0	114.2	I481	S479-I481 WeakPolarHBondContact O-CG1 3.5Å; S479-I481 PolarHBondContact O-N 3.4Å
480	R	38	Very low	32	Very low	252 Å²	252	122.5 Å²	122.5	95%	0.951	71%	0.706	S	S	*	*			trans	26.9	64.9	136.3	-152.8	-178.1	-149.8	172.1	7.5	118.6
481	I	25.6	Very low	32.8	Very low	170 Å²	170	115.4 Å²	115.4	87%	0.872	67%	0.671	S	S	*	*			trans	-104.8	69.4	164.5	-48	-173.9	0	0	0	110.9	S479	S479-I481 WeakPolarHBondContact O-CG1 3.5Å; S479-I481 PolarHBondContact O-N 3.4Å
482	A	31.3	Very low	33.8	Very low	83 Å²	83	115.1 Å²	115.1	69%	0.686	65%	0.651	S	S	*	*			trans	-90.2	119.1	170.9	0	0	0	0	0	110.3
483	G	32.8	Very low	34.8	Very low	70 Å²	70	113 Å²	113	72%	0.722	63%	0.625	S	S	*	*	S	Bend	trans	173	-17.9	175.5	0	0	0	0	0	119
484	V	32.4	Very low	35.7	Very low	139 Å²	139	109.3 Å²	109.3	84%	0.842	59%	0.591	S	S	*	*	S	Bend	trans	-129.4	-29.7	-173.5	-173	0	0	0	0	114.6
485	H	31.9	Very low	35.9	Very low	182 Å²	182	105.9 Å²	105.9	84%	0.843	57%	0.566	S	S	*	*	P	Polyproline II helix	trans	-89.6	138.9	-179.8	-120.5	-94	0	0	0	112
486	W	39.7	Very low	37.1	Very low	96 Å²	96	103.2 Å²	103.2	36%	0.364	54%	0.544	S	S	.	.	P	Polyproline II helix	trans	-89	141	169.4	-69	53.6	0	0	0	109.1	E490 F494	W486-E490 WeakPolarHBondContact CA-OE2 3.43Å; W486-F494 AromaticContact CH2-CD1 3.84Å; W486-F494 HydrophobicContact CH2-CD1 3.84Å; W486-F494 AromaticContact CH2-CE1 3.81Å; W486-F494 HydrophobicContact CH2-CE1 3.81Å; W486-F494 HydrophobicContact CH2-CG 4.42Å; W486-F494 HydrophobicContact CH2-CZ 4.38Å; W486-F494 HydrophobicContact CZ3-CB 4.26Å; W486-F494 AromaticContact CZ3-CD1 3.56Å; W486-F494 HydrophobicContact CZ3-CD1 3.56Å; W486-F494 HydrophobicContact CZ3-CE1 4.04Å; W486-F494 AromaticContact CZ3-CG 3.96Å; W486-F494 HydrophobicContact CZ3-CG 3.96Å
487	G	36.4	Very low	37.9	Very low	30 Å²	30	98 Å²	98	31%	0.309	52%	0.516	S	S	.	.	P	Polyproline II helix	trans	-68.1	155.7	169.4	0	0	0	0	0	112.2	E490 T491	G487-E490 PolarHBondContact N-OE2 3.11Å; G487-T491 WeakPolarHBondContact O-CB 3.47Å; G487-T491 PolarHBondContact O-N 3.27Å; G487-T491 PolarHBondContact O-OG1 2.92Å
488	Y	39.3	Very low	38.8	Very low	93 Å²	93	90.1 Å²	90.1	37%	0.365	48%	0.483	S	S	.	.	H	α-helix	trans	-61.3	-50.6	173.5	166.5	-115.8	0	0	0	110.7	V356 T491 K492	V356-Y488 HydrophobicContact CB-CE2 4.45Å; V356-Y488 HydrophobicContact CG1-CE2 4.35Å; V356-Y488 HydrophobicContact CG2-CE2 4.13Å; Y488-T491 PolarHBondContact O-N 2.92Å; Y488-K492 WeakPolarHBondContact O-CB 3.36Å; Y488-K492 PolarHBondContact O-N 3.14Å
489	E	42.6	Very low	39.4	Very low	90 Å²	90	84.3 Å²	84.3	42%	0.421	46%	0.463	S	S	.	.	H	α-helix	trans	-70.9	-40.1	177.4	-67.5	-59.9	156.8	0	0	112.8	T491 K492 A493	E489-T491 PolarHBondContact O-N 3.03Å; E489-T491 VanDerWaalsContact O-N 3.15Å; E489-K492 PolarHBondContact O-N 3.31Å; E489-K492 VanDerWaalsContact O-N 3.1Å; E489-K492 IonicContact OE1-NZ 2.66Å; E489-K492 PolarHBondContact OE1-NZ 3.06Å; E489-K492 WeakPolarHBondContact OE2-CD 3.47Å; E489-K492 IonicContact OE2-NZ 3.67Å; E489-K492 PolarHBondContact OE2-NZ 3.4Å; E489-A493 WeakPolarHBondContact O-CB 3.38Å; E489-A493 PolarHBondContact O-N 3.04Å
490	E	44.2	Very low	40.2	Very low	44 Å²	44	87.4 Å²	87.4	21%	0.206	47%	0.468	C	S	.	.	H	α-helix	trans	-51.1	-40.5	170	-69.5	-170.7	148.9	0	0	111.9	R412 R416 W486 G487 F494	R412-E490 IonicContact NH2-OE2 3.48Å; R416-E490 IonicContact NE-OE1 3.45Å; R416-E490 PolarHBondContact NE-OE1 3.22Å; R416-E490 VanDerWaalsContact NE-OE1 3.1Å; W486-E490 WeakPolarHBondContact CA-OE2 3.43Å; G487-E490 PolarHBondContact N-OE2 3.11Å; E490-F494 WeakPolarHBondContact O-CB 3.32Å; E490-F494 PolarHBondContact O-N 2.79Å
491	T	44.5	Very low	40.6	Very low	23 Å²	23	76.4 Å²	76.4	14%	0.141	43%	0.429	C	S	.	.	H	α-helix	trans	-75.6	-40.4	-179.6	-55	0	0	0	0	111.7	G487 Y488 E489 L495	G487-T491 WeakPolarHBondContact O-CB 3.47Å; G487-T491 PolarHBondContact O-N 3.27Å; G487-T491 PolarHBondContact O-OG1 2.92Å; Y488-T491 PolarHBondContact O-N 2.92Å; E489-T491 PolarHBondContact O-N 3.03Å; E489-T491 VanDerWaalsContact O-N 3.15Å; T491-L495 HydrophobicContact CG2-CD1 3.91Å; T491-L495 HydrophobicContact CG2-CG 4.49Å; T491-L495 WeakPolarHBondContact O-CB 3.33Å; T491-L495 VanDerWaalsContact O-CG 3.24Å; T491-L495 WeakPolarHBondContact O-CG 3.44Å; T491-L495 PolarHBondContact O-N 3.03Å
492	K	44.8	Very low	41.3	Very low	95 Å²	95	72.5 Å²	72.5	41%	0.413	42%	0.415	S	S	.	.	H	α-helix	trans	-65.1	-47.4	179	174.3	163.8	153.5	-102.7	0	111.5	Y488 E489 L495 A496	Y488-K492 WeakPolarHBondContact O-CB 3.36Å; Y488-K492 PolarHBondContact O-N 3.14Å; E489-K492 PolarHBondContact O-N 3.31Å; E489-K492 VanDerWaalsContact O-N 3.1Å; E489-K492 IonicContact OE1-NZ 2.66Å; E489-K492 PolarHBondContact OE1-NZ 3.06Å; E489-K492 WeakPolarHBondContact OE2-CD 3.47Å; E489-K492 IonicContact OE2-NZ 3.67Å; E489-K492 PolarHBondContact OE2-NZ 3.4Å; K492-L495 PolarHBondContact O-N 3.45Å; K492-A496 PolarHBondContact O-N 3.03Å
493	A	45.5	Very low	41.6	Very low	35 Å²	35	68.7 Å²	68.7	29%	0.289	38%	0.383	S	S	.	.	H	α-helix	trans	-63.4	-48.6	175.1	0	0	0	0	0	112.3	E489 L495 A496 I497	E489-A493 WeakPolarHBondContact O-CB 3.38Å; E489-A493 PolarHBondContact O-N 3.04Å; A493-L495 VanDerWaalsContact C-N 3.29Å; A493-L495 PolarHBondContact O-N 2.62Å; A493-A496 PolarHBondContact O-N 3.45Å; A493-I497 WeakPolarHBondContact O-CG1 3.27Å; A493-I497 PolarHBondContact O-N 3.45Å
494	F	44	Very low	42	Very low	19 Å²	19	66.8 Å²	66.8	8%	0.083	36%	0.358	C	S	.	.	H	α-helix	trans	-60.2	-36.8	179	179.8	-110.1	0	0	0	113	L408 R412 W486 E490 L498	L408-F494 HydrophobicContact CD2-CE2 4.25Å; R412-F494 HydrophobicContact CB-CD2 4.37Å; R412-F494 HydrophobicContact CG-CD2 4.46Å; W486-F494 AromaticContact CH2-CD1 3.84Å; W486-F494 HydrophobicContact CH2-CD1 3.84Å; W486-F494 AromaticContact CH2-CE1 3.81Å; W486-F494 HydrophobicContact CH2-CE1 3.81Å; W486-F494 HydrophobicContact CH2-CG 4.42Å; W486-F494 HydrophobicContact CH2-CZ 4.38Å; W486-F494 HydrophobicContact CZ3-CB 4.26Å; W486-F494 AromaticContact CZ3-CD1 3.56Å; W486-F494 HydrophobicContact CZ3-CD1 3.56Å; W486-F494 HydrophobicContact CZ3-CE1 4.04Å; W486-F494 AromaticContact CZ3-CG 3.96Å; W486-F494 HydrophobicContact CZ3-CG 3.96Å; E490-F494 WeakPolarHBondContact O-CB 3.32Å; E490-F494 PolarHBondContact O-N 2.79Å; F494-L498 HydrophobicContact CD1-CD1 3.85Å; F494-L498 HydrophobicContact CE1-CD1 3.42Å; F494-L498 VanDerWaalsContact CE1-CD1 3.42Å; F494-L498 HydrophobicContact CE1-CG 4.46Å; F494-L498 HydrophobicContact CE2-CD1 4.27Å; F494-L498 HydrophobicContact CG-CD1 4.45Å; F494-L498 HydrophobicContact CZ-CD1 3.66Å; F494-L498 HydrophobicContact CZ-CG 4.33Å; F494-L498 WeakPolarHBondContact O-CB 3.35Å; F494-L498 WeakPolarHBondContact O-CG 3.28Å; F494-L498 PolarHBondContact O-N 3.38Å; F494-L498 VanDerWaalsContact O-N 3.11Å
495	L	45.2	Very low	42.5	Very low	55 Å²	55	64.8 Å²	64.8	29%	0.288	34%	0.34	S	S	.	.	H	α-helix	trans	-75.8	-32	176.7	-70.6	173.9	0	0	0	113.2	T491 K492 A493 L498 S499	T491-L495 HydrophobicContact CG2-CD1 3.91Å; T491-L495 HydrophobicContact CG2-CG 4.49Å; T491-L495 WeakPolarHBondContact O-CB 3.33Å; T491-L495 VanDerWaalsContact O-CG 3.24Å; T491-L495 WeakPolarHBondContact O-CG 3.44Å; T491-L495 PolarHBondContact O-N 3.03Å; K492-L495 PolarHBondContact O-N 3.45Å; A493-L495 VanDerWaalsContact C-N 3.29Å; A493-L495 PolarHBondContact O-N 2.62Å; L495-L498 HydrophobicContact CD2-CD1 4.36Å; L495-S499 WeakPolarHBondContact O-CB 3.42Å; L495-S499 PolarHBondContact O-N 2.89Å; L495-S499 PolarHBondContact O-OG 2.83Å
496	A	48.3	Very low	42.6	Very low	39 Å²	39	60.4 Å²	60.4	32%	0.322	32%	0.318	S	S	.	.	H	α-helix	trans	-62.5	-53.7	172	0	0	0	0	0	110.8	K492 A493 L498 S499 E500	K492-A496 PolarHBondContact O-N 3.03Å; A493-A496 PolarHBondContact O-N 3.45Å; A496-L498 VanDerWaalsContact C-N 3.31Å; A496-L498 PolarHBondContact O-N 3.14Å; A496-S499 WeakPolarHBondContact O-CA 3.47Å; A496-S499 PolarHBondContact O-N 3.35Å; A496-S499 PolarHBondContact O-OG 2.95Å; A496-E500 PolarHBondContact O-N 3.36Å
497	I	47.1	Very low	42.4	Very low	62 Å²	62	59.6 Å²	59.6	32%	0.318	32%	0.321	S	S	.	.	H	α-helix	trans	-58	-42.6	178.8	-61.2	162.9	0	0	0	111	L408 I415 A493 S499 E500 S501	L408-I497 HydrophobicContact CD2-CG2 3.88Å; I415-I497 HydrophobicContact CD1-CD1 3.5Å; I415-I497 VanDerWaalsContact CD1-CD1 3.5Å; A493-I497 WeakPolarHBondContact O-CG1 3.27Å; A493-I497 PolarHBondContact O-N 3.45Å; I497-S499 VanDerWaalsContact C-N 3.3Å; I497-S499 PolarHBondContact O-N 3.4Å; I497-E500 PolarHBondContact O-N 3.18Å; I497-S501 VanDerWaalsContact O-CB 3.29Å; I497-S501 WeakPolarHBondContact O-CB 3.42Å; I497-S501 PolarHBondContact O-N 2.82Å; I497-S501 PolarHBondContact O-OG 3.25Å
498	L	42.6	Very low	42.5	Very low	33 Å²	33	62.8 Å²	62.8	17%	0.173	32%	0.323	C	S	.	.	H	α-helix	trans	-61.2	-36.5	173.6	-84	171.7	0	0	0	113.1	L408 F494 L495 A496 S501	L408-L498 HydrophobicContact CD1-CD2 3.72Å; L408-L498 HydrophobicContact CD2-CD2 3.88Å; L408-L498 HydrophobicContact CD2-CG 4.02Å; L408-L498 HydrophobicContact CG-CD2 4.45Å; F494-L498 HydrophobicContact CD1-CD1 3.85Å; F494-L498 HydrophobicContact CE1-CD1 3.42Å; F494-L498 VanDerWaalsContact CE1-CD1 3.42Å; F494-L498 HydrophobicContact CE1-CG 4.46Å; F494-L498 HydrophobicContact CE2-CD1 4.27Å; F494-L498 HydrophobicContact CG-CD1 4.45Å; F494-L498 HydrophobicContact CZ-CD1 3.66Å; F494-L498 HydrophobicContact CZ-CG 4.33Å; F494-L498 WeakPolarHBondContact O-CB 3.35Å; F494-L498 WeakPolarHBondContact O-CG 3.28Å; F494-L498 PolarHBondContact O-N 3.38Å; F494-L498 VanDerWaalsContact O-N 3.11Å; L495-L498 HydrophobicContact CD2-CD1 4.36Å; A496-L498 VanDerWaalsContact C-N 3.31Å; A496-L498 PolarHBondContact O-N 3.14Å; L498-S501 PolarHBondContact O-OG 3.29Å
499	S	45.3	Very low	42.4	Very low	67 Å²	67	61.8 Å²	61.8	47%	0.469	33%	0.327	S	S	.	.	H	α-helix	trans	-77	-23.5	-178.7	73.5	0	0	0	0	114.3	L495 A496 I497	L495-S499 WeakPolarHBondContact O-CB 3.42Å; L495-S499 PolarHBondContact O-N 2.89Å; L495-S499 PolarHBondContact O-OG 2.83Å; A496-S499 WeakPolarHBondContact O-CA 3.47Å; A496-S499 PolarHBondContact O-N 3.35Å; A496-S499 PolarHBondContact O-OG 2.95Å; I497-S499 VanDerWaalsContact C-N 3.3Å; I497-S499 PolarHBondContact O-N 3.4Å
500	E	43.8	Very low	41.9	Very low	159 Å²	159	61.3 Å²	61.3	74%	0.743	33%	0.333	S	S	*	.	H	α-helix	trans	-97.7	-19.4	179.2	-70.1	167.6	-170.2	0	0	112.5	A496 I497	A496-E500 PolarHBondContact O-N 3.36Å; I497-E500 PolarHBondContact O-N 3.18Å
501	S	45.6	Very low	41.6	Very low	20 Å²	20	61.4 Å²	61.4	14%	0.14	33%	0.333	C	S	.	.	S	Bend	trans	-65.7	149	176.2	70.1	0	0	0	0	113.6	I497 L498 F503 S504	I497-S501 VanDerWaalsContact O-CB 3.29Å; I497-S501 WeakPolarHBondContact O-CB 3.42Å; I497-S501 PolarHBondContact O-N 2.82Å; I497-S501 PolarHBondContact O-OG 3.25Å; L498-S501 PolarHBondContact O-OG 3.29Å; S501-F503 PolarHBondContact O-N 2.75Å; S501-F503 VanDerWaalsContact O-N 3.08Å; S501-F503 WeakPolarHBondContact OG-CB 3.47Å; S501-S504 VanDerWaalsContact O-CB 3.31Å; S501-S504 WeakPolarHBondContact O-CB 3.42Å; S501-S504 PolarHBondContact O-N 3.38Å; S501-S504 PolarHBondContact O-OG 3.31Å
502	P	40.7	Very low	41.3	Very low	88 Å²	88	65.1 Å²	65.1	57%	0.571	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-12.2	172.6	26.8	-35.2	0	0	0	113.3	S504 E505 K506	P502-S504 PolarHBondContact O-N 3.22Å; P502-E505 WeakPolarHBondContact O-CB 3.31Å; P502-E505 PolarHBondContact O-N 3.39Å; P502-K506 PolarHBondContact O-N 3.1Å; P502-K506 VanDerWaalsContact O-N 3.11Å
503	F	36.4	Very low	40.7	Very low	4 Å²	4	64.9 Å²	64.9	2%	0.018	35%	0.352	C	S	.	.	H	α-helix	trans	-59.5	-30.4	168.8	-163.7	-94.7	0	0	0	111.9	L383 F401 L405 S501 E505 K506 L507	L383-F503 HydrophobicContact CD2-CE1 4.08Å; L383-F503 HydrophobicContact CD2-CZ 4.45Å; F401-F503 AromaticContact CD2-CE2 3.92Å; F401-F503 HydrophobicContact CD2-CE2 3.92Å; F401-F503 HydrophobicContact CE2-CD2 4.38Å; F401-F503 AromaticContact CE2-CE2 3.39Å; F401-F503 HydrophobicContact CE2-CE2 3.39Å; F401-F503 AromaticContact CE2-CZ 3.67Å; F401-F503 HydrophobicContact CE2-CZ 3.67Å; F401-F503 AromaticContact CZ-CE2 3.83Å; F401-F503 HydrophobicContact CZ-CE2 3.83Å; F401-F503 AromaticContact CZ-CZ 3.73Å; F401-F503 HydrophobicContact CZ-CZ 3.73Å; L405-F503 HydrophobicContact CB-CE2 4.43Å; L405-F503 HydrophobicContact CD1-CE2 4.39Å; L405-F503 HydrophobicContact CD1-CZ 4.03Å; S501-F503 PolarHBondContact O-N 2.75Å; S501-F503 VanDerWaalsContact O-N 3.08Å; S501-F503 WeakPolarHBondContact OG-CB 3.47Å; F503-E505 PolarHBondContact O-N 2.85Å; F503-K506 PolarHBondContact O-N 3.43Å; F503-L507 HydrophobicContact CD1-CD1 3.71Å; F503-L507 HydrophobicContact CD1-CG 4.08Å; F503-L507 HydrophobicContact CE1-CD1 3.79Å; F503-L507 HydrophobicContact CE1-CD2 4.42Å; F503-L507 HydrophobicContact CE1-CG 4.06Å; F503-L507 WeakPolarHBondContact O-CB 3.49Å; F503-L507 VanDerWaalsContact O-CG 3.28Å; F503-L507 WeakPolarHBondContact O-CG 3.17Å; F503-L507 PolarHBondContact O-N 3.09Å
504	S	41.3	Very low	40.3	Very low	30 Å²	30	65.7 Å²	65.7	21%	0.21	36%	0.355	C	S	.	.	H	α-helix	trans	-62.6	-30.3	172.8	71	0	0	0	0	113	S501 P502 R508	S501-S504 VanDerWaalsContact O-CB 3.31Å; S501-S504 WeakPolarHBondContact O-CB 3.42Å; S501-S504 PolarHBondContact O-N 3.38Å; S501-S504 PolarHBondContact O-OG 3.31Å; P502-S504 PolarHBondContact O-N 3.22Å; S504-R508 PolarHBondContact O-N 2.86Å
505	E	42.7	Very low	40.1	Very low	96 Å²	96	69.3 Å²	69.3	45%	0.449	37%	0.373	S	S	.	.	H	α-helix	trans	-84.7	-38.6	-179.9	-166.3	148.1	-104.2	0	0	111.7	P502 F503 L507 R508 T509	P502-E505 WeakPolarHBondContact O-CB 3.31Å; P502-E505 PolarHBondContact O-N 3.39Å; F503-E505 PolarHBondContact O-N 2.85Å; E505-L507 PolarHBondContact O-N 2.84Å; E505-R508 CarbonylContact O-C 3.59Å; E505-R508 WeakPolarHBondContact O-CA 3.39Å; E505-R508 WeakPolarHBondContact O-CB 3.48Å; E505-R508 PolarHBondContact O-N 3.14Å; E505-R508 IonicContact OE1-CZ 3.19Å; E505-R508 IonicContact OE1-NH1 2.69Å; E505-R508 PolarHBondContact OE1-NH1 3.02Å; E505-R508 IonicContact OE1-NH2 3.41Å; E505-R508 PolarHBondContact OE1-NH2 2.77Å; E505-T509 PolarHBondContact O-N 2.96Å
506	K	35.4	Very low	39.6	Very low	90 Å²	90	70.3 Å²	70.3	39%	0.391	38%	0.381	S	S	.	.	H	α-helix	trans	-62.5	-31.5	166.9	-62.5	-176.2	-171.7	178.2	0	112.2	E404 P502 F503 T509 C510	E404-K506 IonicContact OE1-NZ 3.77Å; E404-K506 PolarHBondContact OE1-NZ 3.39Å; E404-K506 IonicContact OE2-NZ 3.69Å; E404-K506 PolarHBondContact OE2-NZ 2.82Å; P502-K506 PolarHBondContact O-N 3.1Å; P502-K506 VanDerWaalsContact O-N 3.11Å; F503-K506 PolarHBondContact O-N 3.43Å; K506-T509 PolarHBondContact O-OG1 3.44Å; K506-C510 WeakPolarHBondContact O-CB 3Å; K506-C510 PolarHBondContact O-N 2.84Å
507	L	35.4	Very low	38.9	Very low	79 Å²	79	76.6 Å²	76.6	41%	0.414	40%	0.398	S	S	.	.	H	α-helix	trans	-70.5	-31.9	168.4	-75.9	171.7	0	0	0	112.5	F503 E505 H511	F503-L507 HydrophobicContact CD1-CD1 3.71Å; F503-L507 HydrophobicContact CD1-CG 4.08Å; F503-L507 HydrophobicContact CE1-CD1 3.79Å; F503-L507 HydrophobicContact CE1-CD2 4.42Å; F503-L507 HydrophobicContact CE1-CG 4.06Å; F503-L507 WeakPolarHBondContact O-CB 3.49Å; F503-L507 VanDerWaalsContact O-CG 3.28Å; F503-L507 WeakPolarHBondContact O-CG 3.17Å; F503-L507 PolarHBondContact O-N 3.09Å; E505-L507 PolarHBondContact O-N 2.84Å; L507-H511 VanDerWaalsContact O-CB 3.29Å; L507-H511 WeakPolarHBondContact O-CB 3.06Å; L507-H511 PolarHBondContact O-N 3.38Å
508	R	36.9	Very low	38.5	Very low	98 Å²	98	79 Å²	79	37%	0.37	40%	0.402	S	S	.	.	H	α-helix	trans	-66	-50.2	174.1	-153.2	-169.2	-53.1	136.1	11.1	110.8	F369 S504 E505 H511 Q512	F369-R508 HydrophobicContact CE1-CB 4.47Å; F369-R508 HydrophobicContact CE1-CG 4.36Å; F369-R508 HydrophobicContact CZ-CB 4.17Å; F369-R508 HydrophobicContact CZ-CG 3.91Å; S504-R508 PolarHBondContact O-N 2.86Å; E505-R508 CarbonylContact O-C 3.59Å; E505-R508 WeakPolarHBondContact O-CA 3.39Å; E505-R508 WeakPolarHBondContact O-CB 3.48Å; E505-R508 PolarHBondContact O-N 3.14Å; E505-R508 IonicContact OE1-CZ 3.19Å; E505-R508 IonicContact OE1-NH1 2.69Å; E505-R508 PolarHBondContact OE1-NH1 3.02Å; E505-R508 IonicContact OE1-NH2 3.41Å; E505-R508 PolarHBondContact OE1-NH2 2.77Å; R508-H511 CarbonylContact O-C 3.16Å; R508-H511 PolarHBondContact O-N 3.37Å; R508-H511 VanDerWaalsContact O-N 3.13Å; R508-Q512 WeakPolarHBondContact O-CB 3.43Å; R508-Q512 WeakPolarHBondContact O-CG 3.48Å; R508-Q512 PolarHBondContact O-N 2.77Å; R508-Q512 PolarHBondContact O-OE1 3.34Å
509	T	38.5	Very low	38.1	Very low	72 Å²	72	79.6 Å²	79.6	44%	0.442	41%	0.413	S	S	.	.	H	α-helix	trans	-65.5	-39.4	176.6	60	0	0	0	0	112	E505 K506 H511 Q512 N513	E505-T509 PolarHBondContact O-N 2.96Å; K506-T509 PolarHBondContact O-OG1 3.44Å; T509-H511 VanDerWaalsContact C-N 3.32Å; T509-H511 PolarHBondContact O-N 3.12Å; T509-Q512 PolarHBondContact O-N 2.83Å; T509-N513 VanDerWaalsContact O-CB 3.3Å; T509-N513 WeakPolarHBondContact O-CB 3.2Å; T509-N513 PolarHBondContact O-N 2.82Å
510	C	32.4	Very low	37.6	Very low	80 Å²	80	80.5 Å²	80.5	54%	0.541	41%	0.411	S	S	.	.	H	α-helix	trans	-62.4	-37.8	171.5	-175	0	0	0	0	112.3	K506 S514	K506-C510 WeakPolarHBondContact O-CB 3Å; K506-C510 PolarHBondContact O-N 2.84Å; C510-S514 WeakPolarHBondContact O-CB 3.29Å; C510-S514 PolarHBondContact O-N 3.14Å
511	H	37.9	Very low	37.2	Very low	45 Å²	45	74.8 Å²	74.8	21%	0.208	39%	0.391	C	S	.	.	H	α-helix	trans	-69.6	-43.7	174.8	-170	16.3	0	0	0	112	L507 R508 T509 S514 Q515	L507-H511 VanDerWaalsContact O-CB 3.29Å; L507-H511 WeakPolarHBondContact O-CB 3.06Å; L507-H511 PolarHBondContact O-N 3.38Å; R508-H511 CarbonylContact O-C 3.16Å; R508-H511 PolarHBondContact O-N 3.37Å; R508-H511 VanDerWaalsContact O-N 3.13Å; T509-H511 VanDerWaalsContact C-N 3.32Å; T509-H511 PolarHBondContact O-N 3.12Å; H511-S514 CarbonylContact O-C 3.48Å; H511-S514 WeakPolarHBondContact O-CA 3.39Å; H511-S514 WeakPolarHBondContact O-CB 3.41Å; H511-S514 PolarHBondContact O-N 2.97Å; H511-S514 VanDerWaalsContact O-N 3.16Å; H511-Q515 PolarHBondContact CE1-NE2 3.4Å; H511-Q515 VanDerWaalsContact CE1-NE2 3.28Å; H511-Q515 PolarHBondContact NE2-NE2 3.29Å; H511-Q515 VanDerWaalsContact NE2-NE2 3.14Å; H511-Q515 WeakPolarHBondContact O-CG 3.27Å; H511-Q515 PolarHBondContact O-N 3.21Å
512	Q	37.3	Very low	36.9	Very low	102 Å²	102	79.1 Å²	79.1	48%	0.477	41%	0.409	S	S	.	.	H	α-helix	trans	-64	-42.3	176.7	-75.3	166	-67.2	0	0	111	R508 T509 S514 Q515 V516	R508-Q512 WeakPolarHBondContact O-CB 3.43Å; R508-Q512 WeakPolarHBondContact O-CG 3.48Å; R508-Q512 PolarHBondContact O-N 2.77Å; R508-Q512 PolarHBondContact O-OE1 3.34Å; T509-Q512 PolarHBondContact O-N 2.83Å; Q512-S514 VanDerWaalsContact C-N 3.33Å; Q512-S514 PolarHBondContact O-N 3.39Å; Q512-Q515 CarbonylContact O-C 3.51Å; Q512-Q515 WeakPolarHBondContact O-CA 3.45Å; Q512-Q515 PolarHBondContact O-N 3.37Å; Q512-V516 WeakPolarHBondContact O-CG2 3.35Å; Q512-V516 PolarHBondContact O-N 3.47Å
513	N	33.1	Very low	36.6	Very low	90 Å²	90	84.1 Å²	84.1	48%	0.481	42%	0.417	S	S	.	.	H	α-helix	trans	-60.7	-40.9	170.8	-70.3	-11.1	0	0	0	111.4	T509 Q515 V516 Y517	T509-N513 VanDerWaalsContact O-CB 3.3Å; T509-N513 WeakPolarHBondContact O-CB 3.2Å; T509-N513 PolarHBondContact O-N 2.82Å; N513-Q515 VanDerWaalsContact C-N 3.3Å; N513-Q515 PolarHBondContact O-N 3.44Å; N513-V516 PolarHBondContact O-N 3.44Å; N513-Y517 HydrophobicContact CB-CE2 4.47Å; N513-Y517 WeakPolarHBondContact O-CD2 3.17Å; N513-Y517 PolarHBondContact O-N 3.34Å
514	S	36.8	Very low	36.5	Very low	51 Å²	51	86.5 Å²	86.5	36%	0.357	43%	0.43	S	S	.	.	H	α-helix	trans	-66.3	-27.2	172	173.2	0	0	0	0	113.7	C510 H511 Q512 R518	C510-S514 WeakPolarHBondContact O-CB 3.29Å; C510-S514 PolarHBondContact O-N 3.14Å; H511-S514 CarbonylContact O-C 3.48Å; H511-S514 WeakPolarHBondContact O-CA 3.39Å; H511-S514 WeakPolarHBondContact O-CB 3.41Å; H511-S514 PolarHBondContact O-N 2.97Å; H511-S514 VanDerWaalsContact O-N 3.16Å; Q512-S514 VanDerWaalsContact C-N 3.33Å; Q512-S514 PolarHBondContact O-N 3.39Å; S514-R518 WeakPolarHBondContact O-CB 3.41Å; S514-R518 PolarHBondContact O-N 3.36Å
515	Q	38.8	Very low	36.3	Very low	95 Å²	95	88.9 Å²	88.9	44%	0.444	45%	0.445	S	S	.	.	H	α-helix	trans	-79.2	-36.1	172	-70.1	-169	28.7	0	0	111.4	H511 Q512 N513 R518 A519	H511-Q515 PolarHBondContact CE1-NE2 3.4Å; H511-Q515 VanDerWaalsContact CE1-NE2 3.28Å; H511-Q515 PolarHBondContact NE2-NE2 3.29Å; H511-Q515 VanDerWaalsContact NE2-NE2 3.14Å; H511-Q515 WeakPolarHBondContact O-CG 3.27Å; H511-Q515 PolarHBondContact O-N 3.21Å; Q512-Q515 CarbonylContact O-C 3.51Å; Q512-Q515 WeakPolarHBondContact O-CA 3.45Å; Q512-Q515 PolarHBondContact O-N 3.37Å; N513-Q515 VanDerWaalsContact C-N 3.3Å; N513-Q515 PolarHBondContact O-N 3.44Å; Q515-R518 CarbonylContact O-C 3.59Å; Q515-R518 PolarHBondContact O-N 2.99Å; Q515-A519 WeakPolarHBondContact O-CB 3.32Å; Q515-A519 PolarHBondContact O-N 3.44Å
516	V	34.5	Very low	36.2	Very low	76 Å²	76	88.7 Å²	88.7	46%	0.461	46%	0.46	S	S	.	.	H	α-helix	trans	-66.4	-46.1	174.3	167.8	0	0	0	0	110.5	Q512 N513 R518 A519 I520	Q512-V516 WeakPolarHBondContact O-CG2 3.35Å; Q512-V516 PolarHBondContact O-N 3.47Å; N513-V516 PolarHBondContact O-N 3.44Å; V516-R518 PolarHBondContact O-N 2.89Å; V516-A519 PolarHBondContact O-N 2.85Å; V516-I520 HydrophobicContact CG1-CD1 3.65Å; V516-I520 HydrophobicContact CG1-CG1 4.34Å; V516-I520 VanDerWaalsContact O-CB 3.31Å; V516-I520 WeakPolarHBondContact O-CB 3.27Å; V516-I520 WeakPolarHBondContact O-CG1 3.36Å; V516-I520 PolarHBondContact O-N 3.29Å
517	Y	33.8	Very low	36.5	Very low	172 Å²	172	89.9 Å²	89.9	68%	0.675	47%	0.47	S	S	*	.	H	α-helix	trans	-63	-29.2	171.9	-70.8	-55.5	0	0	0	112.9	N513 A521	N513-Y517 HydrophobicContact CB-CE2 4.47Å; N513-Y517 WeakPolarHBondContact O-CD2 3.17Å; N513-Y517 PolarHBondContact O-N 3.34Å; Y517-A521 WeakPolarHBondContact O-CB 3.44Å; Y517-A521 PolarHBondContact O-N 3.01Å; Y517-A521 VanDerWaalsContact O-N 3.08Å
518	R	38.8	Very low	36.7	Very low	111 Å²	111	88.7 Å²	88.7	42%	0.419	48%	0.477	S	S	.	.	H	α-helix	trans	-73.4	-47.2	172.4	-164.2	-173.8	-65.6	95.7	19.1	111.5	S514 Q515 V516 I520 A521 E522	S514-R518 WeakPolarHBondContact O-CB 3.41Å; S514-R518 PolarHBondContact O-N 3.36Å; Q515-R518 CarbonylContact O-C 3.59Å; Q515-R518 PolarHBondContact O-N 2.99Å; V516-R518 PolarHBondContact O-N 2.89Å; R518-I520 VanDerWaalsContact C-N 3.3Å; R518-I520 PolarHBondContact O-N 2.88Å; R518-A521 CarbonylContact O-C 3.55Å; R518-A521 WeakPolarHBondContact O-CA 3.43Å; R518-A521 WeakPolarHBondContact O-CB 3.33Å; R518-A521 PolarHBondContact O-N 3.11Å; R518-E522 WeakPolarHBondContact CD-OE1 3.48Å; R518-E522 HydrophobicContact CG-CG 4.3Å; R518-E522 VanDerWaalsContact CG-OE1 3.27Å; R518-E522 WeakPolarHBondContact CG-OE1 3.49Å; R518-E522 WeakPolarHBondContact O-CB 3.2Å; R518-E522 WeakPolarHBondContact O-CG 3.44Å; R518-E522 PolarHBondContact O-N 3.45Å
519	A	35.5	Very low	36.7	Very low	47 Å²	47	89.8 Å²	89.8	39%	0.388	49%	0.485	S	S	.	.	H	α-helix	trans	-65.3	-31.6	178	0	0	0	0	0	112.7	Q515 V516 R523	Q515-A519 WeakPolarHBondContact O-CB 3.32Å; Q515-A519 PolarHBondContact O-N 3.44Å; V516-A519 PolarHBondContact O-N 2.85Å; A519-R523 WeakPolarHBondContact O-CB 3.35Å; A519-R523 PolarHBondContact O-N 3.41Å
520	I	33.9	Very low	36.7	Very low	85 Å²	85	89 Å²	89	44%	0.436	48%	0.478	S	S	.	.	H	α-helix	trans	-68	-44.6	169.1	-71	167.1	0	0	0	110	V516 R518 E522 R523 L524	V516-I520 HydrophobicContact CG1-CD1 3.65Å; V516-I520 HydrophobicContact CG1-CG1 4.34Å; V516-I520 VanDerWaalsContact O-CB 3.31Å; V516-I520 WeakPolarHBondContact O-CB 3.27Å; V516-I520 WeakPolarHBondContact O-CG1 3.36Å; V516-I520 PolarHBondContact O-N 3.29Å; R518-I520 VanDerWaalsContact C-N 3.3Å; R518-I520 PolarHBondContact O-N 2.88Å; I520-E522 VanDerWaalsContact C-N 3.34Å; I520-R523 PolarHBondContact O-N 3.3Å; I520-L524 HydrophobicContact CG2-CD1 3.87Å; I520-L524 HydrophobicContact CG2-CG 4.48Å; I520-L524 WeakPolarHBondContact O-CB 3.41Å; I520-L524 VanDerWaalsContact O-CG 3.22Å; I520-L524 WeakPolarHBondContact O-CG 3.42Å; I520-L524 PolarHBondContact O-N 2.72Å
521	A	34.4	Very low	37.2	Very low	40 Å²	40	95.6 Å²	95.6	33%	0.331	49%	0.491	S	S	.	.	H	α-helix	trans	-64.7	-37.1	174	0	0	0	0	0	112.3	Y517 R518 L524 C525 L530	Y517-A521 WeakPolarHBondContact O-CB 3.44Å; Y517-A521 PolarHBondContact O-N 3.01Å; Y517-A521 VanDerWaalsContact O-N 3.08Å; R518-A521 CarbonylContact O-C 3.55Å; R518-A521 WeakPolarHBondContact O-CA 3.43Å; R518-A521 WeakPolarHBondContact O-CB 3.33Å; R518-A521 PolarHBondContact O-N 3.11Å; A521-L524 CarbonylContact O-C 3.56Å; A521-L524 PolarHBondContact O-N 3.13Å; A521-C525 WeakPolarHBondContact O-CB 3.25Å; A521-C525 PolarHBondContact O-N 2.84Å; A521-L530 HydrophobicContact CB-CD1 4.39Å; A521-L530 WeakPolarHBondContact O-CD1 3.23Å
522	E	40.1	Very low	37.3	Very low	111 Å²	111	97.2 Å²	97.2	52%	0.519	50%	0.504	S	S	.	.	H	α-helix	trans	-69.8	-39	176.9	-73.2	158.5	168	0	0	110.9	R518 I520 C525 A526	R518-E522 WeakPolarHBondContact CD-OE1 3.48Å; R518-E522 HydrophobicContact CG-CG 4.3Å; R518-E522 VanDerWaalsContact CG-OE1 3.27Å; R518-E522 WeakPolarHBondContact CG-OE1 3.49Å; R518-E522 WeakPolarHBondContact O-CB 3.2Å; R518-E522 WeakPolarHBondContact O-CG 3.44Å; R518-E522 PolarHBondContact O-N 3.45Å; I520-E522 VanDerWaalsContact C-N 3.34Å; E522-C525 WeakPolarHBondContact O-CB 3.11Å; E522-C525 PolarHBondContact O-N 3.15Å; E522-A526 WeakPolarHBondContact O-CB 3.21Å; E522-A526 PolarHBondContact O-N 3.45Å
523	R	35.2	Very low	37.2	Very low	192 Å²	192	95.4 Å²	95.4	73%	0.725	50%	0.497	S	S	*	.	H	α-helix	trans	-62.6	-42	167	-94.6	178.5	144.5	151.3	-7.4	112.5	A519 I520 C525 A526 L527	A519-R523 WeakPolarHBondContact O-CB 3.35Å; A519-R523 PolarHBondContact O-N 3.41Å; I520-R523 PolarHBondContact O-N 3.3Å; R523-C525 VanDerWaalsContact C-N 3.28Å; R523-C525 PolarHBondContact O-N 2.94Å; R523-A526 PolarHBondContact O-N 2.8Å; R523-L527 WeakPolarHBondContact O-CB 3.28Å; R523-L527 VanDerWaalsContact O-CG 3.27Å; R523-L527 WeakPolarHBondContact O-CG 3.49Å; R523-L527 PolarHBondContact O-N 3.34Å
524	L	33.2	Very low	37.6	Very low	55 Å²	55	97 Å²	97	29%	0.288	50%	0.502	S	S	.	.	H	α-helix	trans	-72.2	-19.3	176.6	-69.3	169	0	0	0	113.2	I520 A521 F529 L530 L533	I520-L524 HydrophobicContact CG2-CD1 3.87Å; I520-L524 HydrophobicContact CG2-CG 4.48Å; I520-L524 WeakPolarHBondContact O-CB 3.41Å; I520-L524 VanDerWaalsContact O-CG 3.22Å; I520-L524 WeakPolarHBondContact O-CG 3.42Å; I520-L524 PolarHBondContact O-N 2.72Å; A521-L524 CarbonylContact O-C 3.56Å; A521-L524 PolarHBondContact O-N 3.13Å; L524-F529 HydrophobicContact CD2-CB 4.33Å; L524-F529 PolarHBondContact O-N 3.23Å; L524-F529 VanDerWaalsContact O-N 3.13Å; L524-L530 HydrophobicContact CB-CD1 4.03Å; L524-L530 HydrophobicContact CB-CG 4.18Å; L524-L530 PolarHBondContact O-N 2.78Å; L524-L533 HydrophobicContact CD1-CD1 4.36Å
525	C	38.5	Very low	37.7	Very low	80 Å²	80	100.2 Å²	100.2	54%	0.541	51%	0.511	S	S	.	.	H	α-helix	trans	-75.2	-49.9	165.4	-90.3	0	0	0	0	110.8	A521 E522 R523 L527 G528 L530	A521-C525 WeakPolarHBondContact O-CB 3.25Å; A521-C525 PolarHBondContact O-N 2.84Å; E522-C525 WeakPolarHBondContact O-CB 3.11Å; E522-C525 PolarHBondContact O-N 3.15Å; R523-C525 VanDerWaalsContact C-N 3.28Å; R523-C525 PolarHBondContact O-N 2.94Å; C525-L527 PolarHBondContact O-N 3.01Å; C525-G528 PolarHBondContact O-N 3.06Å; C525-L530 HydrophobicContact CB-CD1 4.35Å; C525-L530 WeakPolarHBondContact SG-CD1 3.27Å
526	A	40.3	Very low	37.4	Very low	91 Å²	91	99.2 Å²	99.2	75%	0.752	51%	0.514	S	S	*	.	H	α-helix	trans	-61.8	-31.3	179.5	0	0	0	0	0	112.8	E522 R523 G528	E522-A526 WeakPolarHBondContact O-CB 3.21Å; E522-A526 PolarHBondContact O-N 3.45Å; R523-A526 PolarHBondContact O-N 2.8Å; A526-G528 VanDerWaalsContact C-N 3.31Å
527	L	40.4	Very low	37.8	Very low	116 Å²	116	102.3 Å²	102.3	61%	0.607	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.8	12.5	172.9	-62.9	169.4	0	0	0	113.4	R523 C525 F529	R523-L527 WeakPolarHBondContact O-CB 3.28Å; R523-L527 VanDerWaalsContact O-CG 3.27Å; R523-L527 WeakPolarHBondContact O-CG 3.49Å; R523-L527 PolarHBondContact O-N 3.34Å; C525-L527 PolarHBondContact O-N 3.01Å; L527-F529 HydrophobicContact CB-CD2 3.83Å; L527-F529 HydrophobicContact CB-CE2 4.25Å; L527-F529 WeakPolarHBondContact O-CD2 3.49Å; L527-F529 PolarHBondContact O-N 3.38Å
528	G	41.1	Very low	38.2	Very low	54 Å²	54	101.5 Å²	101.5	56%	0.557	51%	0.514	S	S	*	.	S	Bend	trans	72.2	-15.8	174	0	0	0	0	0	117.4	C525 A526 L530	C525-G528 PolarHBondContact O-N 3.06Å; A526-G528 VanDerWaalsContact C-N 3.31Å; G528-L530 PolarHBondContact O-N 3Å
529	F	35.5	Very low	38.2	Very low	121 Å²	121	105.2 Å²	105.2	53%	0.531	53%	0.528	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-17.6	-172.4	-78.9	-83.1	0	0	0	115.9	L524 L527 R531 T532 L533	L524-F529 HydrophobicContact CD2-CB 4.33Å; L524-F529 PolarHBondContact O-N 3.23Å; L524-F529 VanDerWaalsContact O-N 3.13Å; L527-F529 HydrophobicContact CB-CD2 3.83Å; L527-F529 HydrophobicContact CB-CE2 4.25Å; L527-F529 WeakPolarHBondContact O-CD2 3.49Å; L527-F529 PolarHBondContact O-N 3.38Å; F529-R531 PolarHBondContact O-N 3.45Å; F529-T532 PolarHBondContact O-N 2.87Å; F529-T532 PolarHBondContact O-OG1 2.99Å; F529-L533 PolarHBondContact O-N 3.46Å
530	L	39.7	Very low	38.2	Very low	56 Å²	56	106.4 Å²	106.4	29%	0.293	53%	0.525	S	S	.	.	H	α-helix	trans	-76.8	-16.7	-171.5	-93.5	166.6	0	0	0	116.4	A521 L524 C525 G528 L533	A521-L530 HydrophobicContact CB-CD1 4.39Å; A521-L530 WeakPolarHBondContact O-CD1 3.23Å; L524-L530 HydrophobicContact CB-CD1 4.03Å; L524-L530 HydrophobicContact CB-CG 4.18Å; L524-L530 PolarHBondContact O-N 2.78Å; C525-L530 HydrophobicContact CB-CD1 4.35Å; C525-L530 WeakPolarHBondContact SG-CD1 3.27Å; G528-L530 PolarHBondContact O-N 3Å; L530-L533 HydrophobicContact CD2-CB 4.11Å
531	R	42.7	Very low	38.8	Very low	218 Å²	218	108.6 Å²	108.6	82%	0.823	53%	0.531	S	S	*	.	H	α-helix	trans	-67.5	-41.4	166.3	-76.3	-173.1	75.7	168.2	1.5	111.3	F529 Q535	F529-R531 PolarHBondContact O-N 3.45Å; R531-Q535 WeakPolarHBondContact O-CB 3.45Å
532	T	40	Very low	39.3	Very low	79 Å²	79	109.2 Å²	109.2	49%	0.485	53%	0.529	S	S	.	.	H	α-helix	trans	-76.4	-38.3	178.5	55.6	0	0	0	0	111.7	F529 E534 Q535 C536	F529-T532 PolarHBondContact O-N 2.87Å; F529-T532 PolarHBondContact O-OG1 2.99Å; T532-E534 PolarHBondContact O-N 3.37Å; T532-Q535 CarbonylContact O-C 3.54Å; T532-Q535 PolarHBondContact O-N 3.02Å; T532-C536 VanDerWaalsContact O-CB 3.24Å; T532-C536 WeakPolarHBondContact O-CB 3.25Å; T532-C536 PolarHBondContact O-N 2.91Å; T532-C536 PolarHBondContact O-SG 3.12Å
533	L	35.9	Very low	39.2	Very low	63 Å²	63	106.9 Å²	106.9	33%	0.33	52%	0.519	S	S	.	.	H	α-helix	trans	-64	-41.2	-174.1	-126.3	166.8	0	0	0	114.1	L524 F529 L530 R537	L524-L533 HydrophobicContact CD1-CD1 4.36Å; F529-L533 PolarHBondContact O-N 3.46Å; L530-L533 HydrophobicContact CD2-CB 4.11Å; L533-R537 HydrophobicContact CD2-CG 4.12Å; L533-R537 WeakPolarHBondContact O-CB 3.44Å; L533-R537 VanDerWaalsContact O-CD 3.28Å; L533-R537 WeakPolarHBondContact O-CD 3.47Å; L533-R537 WeakPolarHBondContact O-CG 3.5Å; L533-R537 PolarHBondContact O-N 3.12Å
534	E	40.5	Very low	39.5	Very low	123 Å²	123	99 Å²	99	58%	0.575	49%	0.492	S	S	*	.	H	α-helix	trans	-66.7	-41.1	174.7	-163.5	69.8	-108.6	0	0	111	T532 R537 Y538	T532-E534 PolarHBondContact O-N 3.37Å; E534-R537 PolarHBondContact O-N 3.35Å; E534-Y538 PolarHBondContact O-N 3.19Å
535	Q	39.3	Very low	40.3	Very low	120 Å²	120	104.6 Å²	104.6	56%	0.561	51%	0.509	S	S	*	.	H	α-helix	trans	-70.9	-35.7	-178.7	-151.1	159	9.5	0	0	111.9	R531 T532 Y538 R539	R531-Q535 WeakPolarHBondContact O-CB 3.45Å; T532-Q535 CarbonylContact O-C 3.54Å; T532-Q535 PolarHBondContact O-N 3.02Å; Q535-Y538 PolarHBondContact O-N 2.83Å; Q535-R539 WeakPolarHBondContact O-CB 3.32Å; Q535-R539 WeakPolarHBondContact O-CG 3.35Å; Q535-R539 PolarHBondContact O-N 2.94Å
536	C	32.6	Very low	40.5	Very low	74 Å²	74	104.1 Å²	104.1	50%	0.5	51%	0.507	S	S	.	.	H	α-helix	trans	-67.6	-40.9	168.5	-73	0	0	0	0	111.6	T532 Y538 R539 F540	T532-C536 VanDerWaalsContact O-CB 3.24Å; T532-C536 WeakPolarHBondContact O-CB 3.25Å; T532-C536 PolarHBondContact O-N 2.91Å; T532-C536 PolarHBondContact O-SG 3.12Å; C536-Y538 VanDerWaalsContact C-N 3.27Å; C536-Y538 PolarHBondContact O-N 3.27Å; C536-R539 PolarHBondContact O-N 2.94Å; C536-F540 WeakPolarHBondContact O-CB 3.39Å; C536-F540 PolarHBondContact O-N 3.44Å
537	R	43.3	Very low	40.7	Very low	141 Å²	141	101.1 Å²	101.1	53%	0.532	48%	0.476	S	S	.	.	H	α-helix	trans	-63	-34.1	173.5	-74.2	160.5	75.5	87.1	-8.6	111.9	L533 E534 K541	L533-R537 HydrophobicContact CD2-CG 4.12Å; L533-R537 WeakPolarHBondContact O-CB 3.44Å; L533-R537 VanDerWaalsContact O-CD 3.28Å; L533-R537 WeakPolarHBondContact O-CD 3.47Å; L533-R537 WeakPolarHBondContact O-CG 3.5Å; L533-R537 PolarHBondContact O-N 3.12Å; E534-R537 PolarHBondContact O-N 3.35Å; R537-K541 WeakPolarHBondContact O-CB 3.45Å; R537-K541 WeakPolarHBondContact O-CD 3.48Å; R537-K541 WeakPolarHBondContact O-CG 3.46Å; R537-K541 PolarHBondContact O-N 3.34Å; R537-K541 VanDerWaalsContact O-N 3.12Å
538	Y	42.2	Very low	41.3	Very low	154 Å²	154	103.5 Å²	103.5	60%	0.604	48%	0.477	S	S	*	.	H	α-helix	trans	-72	-51.2	172.8	-174	-102.6	0	0	0	112.3	E534 Q535 C536 F540 K541 N542	E534-Y538 PolarHBondContact O-N 3.19Å; Q535-Y538 PolarHBondContact O-N 2.83Å; C536-Y538 VanDerWaalsContact C-N 3.27Å; C536-Y538 PolarHBondContact O-N 3.27Å; Y538-F540 PolarHBondContact O-N 3.04Å; Y538-K541 PolarHBondContact O-N 3.24Å; Y538-N542 VanDerWaalsContact CE1-ND2 3.28Å; Y538-N542 WeakPolarHBondContact CE1-ND2 3.5Å; Y538-N542 PolarHBondContact O-N 3.42Å
539	R	37.2	Very low	41.6	Very low	189 Å²	189	108.7 Å²	108.7	71%	0.713	48%	0.484	S	S	*	.	H	α-helix	trans	-55.3	-47.7	175.2	-71.7	-95.4	-178.8	142.1	-1.4	111.2	Q535 C536 N542 L543	Q535-R539 WeakPolarHBondContact O-CB 3.32Å; Q535-R539 WeakPolarHBondContact O-CG 3.35Å; Q535-R539 PolarHBondContact O-N 2.94Å; C536-R539 PolarHBondContact O-N 2.94Å; R539-N542 CarbonylContact O-C 3.57Å; R539-N542 PolarHBondContact O-N 3.36Å; R539-L543 WeakPolarHBondContact O-CB 3.3Å; R539-L543 PolarHBondContact O-N 3.21Å
540	F	35.8	Very low	42	Very low	72 Å²	72	103.6 Å²	103.6	32%	0.316	46%	0.464	S	S	.	.	H	α-helix	trans	-67.2	-37.5	179.4	-171.2	-111.3	0	0	0	113	C536 Y538 N542 L543 L544 M569	C536-F540 WeakPolarHBondContact O-CB 3.39Å; C536-F540 PolarHBondContact O-N 3.44Å; Y538-F540 PolarHBondContact O-N 3.04Å; F540-N542 VanDerWaalsContact C-N 3.31Å; F540-N542 PolarHBondContact O-N 3.26Å; F540-L543 PolarHBondContact O-N 3.48Å; F540-L544 HydrophobicContact CD1-CD1 3.76Å; F540-L544 HydrophobicContact CD1-CG 4.41Å; F540-L544 HydrophobicContact CE1-CD1 3.47Å; F540-L544 VanDerWaalsContact CE1-CD1 3.47Å; F540-L544 HydrophobicContact CE1-CG 4.24Å; F540-L544 HydrophobicContact CG-CD1 4.44Å; F540-L544 HydrophobicContact CZ-CD1 3.91Å; F540-L544 HydrophobicContact CZ-CG 4.29Å; F540-L544 VanDerWaalsContact O-CB 3.27Å; F540-L544 WeakPolarHBondContact O-CB 3.25Å; F540-L544 VanDerWaalsContact O-CG 3.3Å; F540-L544 WeakPolarHBondContact O-CG 3.41Å; F540-L544 PolarHBondContact O-N 3.33Å; F540-M569 HydrophobicContact CZ-SD 4.5Å
541	K	47.8	Very low	42.3	Very low	131 Å²	131	106.8 Å²	106.8	57%	0.57	48%	0.476	S	S	*	.	H	α-helix	trans	-63.4	-36.3	171.4	-82.5	172.7	-179.7	174	0	112.5	R537 Y538 R545	R537-K541 WeakPolarHBondContact O-CB 3.45Å; R537-K541 WeakPolarHBondContact O-CD 3.48Å; R537-K541 WeakPolarHBondContact O-CG 3.46Å; R537-K541 PolarHBondContact O-N 3.34Å; R537-K541 VanDerWaalsContact O-N 3.12Å; Y538-K541 PolarHBondContact O-N 3.24Å; K541-R545 PolarHBondContact O-N 3.19Å
542	N	43.8	Very low	42.7	Very low	53 Å²	53	101 Å²	101	28%	0.283	47%	0.469	S	S	.	.	H	α-helix	trans	-76.8	-40.2	176.2	-72.5	-16.8	0	0	0	111.7	Y538 R539 F540 L544 R545 S546	Y538-N542 VanDerWaalsContact CE1-ND2 3.28Å; Y538-N542 WeakPolarHBondContact CE1-ND2 3.5Å; Y538-N542 PolarHBondContact O-N 3.42Å; R539-N542 CarbonylContact O-C 3.57Å; R539-N542 PolarHBondContact O-N 3.36Å; F540-N542 VanDerWaalsContact C-N 3.31Å; F540-N542 PolarHBondContact O-N 3.26Å; N542-L544 PolarHBondContact O-N 3.06Å; N542-R545 CarbonylContact O-C 3.51Å; N542-R545 WeakPolarHBondContact O-CA 3.35Å; N542-R545 WeakPolarHBondContact O-CB 3.47Å; N542-R545 PolarHBondContact O-N 3.3Å; N542-S546 PolarHBondContact O-N 3.2Å; N542-S546 PolarHBondContact O-OG 3.38Å
543	L	38.2	Very low	43	Very low	62 Å²	62	100.7 Å²	100.7	33%	0.325	47%	0.47	S	S	.	.	H	α-helix	trans	-58.7	-47.4	173.1	-168.2	68.9	0	0	0	110.8	R539 F540 R545 S546 Y547 L565	R539-L543 WeakPolarHBondContact O-CB 3.3Å; R539-L543 PolarHBondContact O-N 3.21Å; F540-L543 PolarHBondContact O-N 3.48Å; L543-R545 PolarHBondContact O-N 3.48Å; L543-R545 VanDerWaalsContact O-N 3.15Å; L543-S546 PolarHBondContact O-N 2.89Å; L543-Y547 VanDerWaalsContact O-CB 3.28Å; L543-Y547 WeakPolarHBondContact O-CB 3.19Å; L543-Y547 PolarHBondContact O-N 2.95Å; L543-L565 HydrophobicContact CD2-CD1 3.82Å; L543-L565 HydrophobicContact CD2-CD2 4.18Å; L543-L565 HydrophobicContact CG-CD2 4.05Å
544	L	42.5	Very low	43.3	Very low	27 Å²	27	103.6 Å²	103.6	14%	0.141	48%	0.481	C	S	.	.	H	α-helix	trans	-65.2	-11.2	172	-74.3	176.2	0	0	0	114.4	F540 N542 R548 M569	F540-L544 HydrophobicContact CD1-CD1 3.76Å; F540-L544 HydrophobicContact CD1-CG 4.41Å; F540-L544 HydrophobicContact CE1-CD1 3.47Å; F540-L544 VanDerWaalsContact CE1-CD1 3.47Å; F540-L544 HydrophobicContact CE1-CG 4.24Å; F540-L544 HydrophobicContact CG-CD1 4.44Å; F540-L544 HydrophobicContact CZ-CD1 3.91Å; F540-L544 HydrophobicContact CZ-CG 4.29Å; F540-L544 VanDerWaalsContact O-CB 3.27Å; F540-L544 WeakPolarHBondContact O-CB 3.25Å; F540-L544 VanDerWaalsContact O-CG 3.3Å; F540-L544 WeakPolarHBondContact O-CG 3.41Å; F540-L544 PolarHBondContact O-N 3.33Å; N542-L544 PolarHBondContact O-N 3.06Å; L544-R548 VanDerWaalsContact O-CZ 3.28Å; L544-R548 PolarHBondContact O-NE 3.12Å; L544-R548 PolarHBondContact O-NH2 3.01Å; L544-M569 HydrophobicContact CD2-CE 4.04Å; L544-M569 HydrophobicContact CD2-CG 4.5Å; L544-M569 HydrophobicContact CD2-SD 3.82Å
545	R	49.3	Very low	43.7	Very low	173 Å²	173	102.4 Å²	102.4	65%	0.653	49%	0.485	S	S	*	.	H	α-helix	trans	-93.6	-41.5	172.4	176.3	178.6	-87.2	140.4	-11.6	110.5	K541 N542 L543 K549	K541-R545 PolarHBondContact O-N 3.19Å; N542-R545 CarbonylContact O-C 3.51Å; N542-R545 WeakPolarHBondContact O-CA 3.35Å; N542-R545 WeakPolarHBondContact O-CB 3.47Å; N542-R545 PolarHBondContact O-N 3.3Å; L543-R545 PolarHBondContact O-N 3.48Å; L543-R545 VanDerWaalsContact O-N 3.15Å; R545-K549 PolarHBondContact O-N 3.31Å; R545-K549 VanDerWaalsContact O-N 3.16Å
546	S	43	Very low	43.8	Very low	70 Å²	70	102.6 Å²	102.6	49%	0.49	50%	0.496	S	S	.	.	H	α-helix	trans	-64.2	-48.9	172.9	-58.7	0	0	0	0	111.7	N542 L543 R548 K549 A550	N542-S546 PolarHBondContact O-N 3.2Å; N542-S546 PolarHBondContact O-OG 3.38Å; L543-S546 PolarHBondContact O-N 2.89Å; S546-R548 VanDerWaalsContact C-N 3.32Å; S546-R548 PolarHBondContact O-N 3.1Å; S546-K549 CarbonylContact O-C 3.59Å; S546-K549 WeakPolarHBondContact O-CA 3Å; S546-K549 WeakPolarHBondContact O-CB 3.5Å; S546-K549 PolarHBondContact O-N 3.28Å; S546-A550 PolarHBondContact O-N 3.06Å
547	Y	44.2	Very low	44.7	Very low	28 Å²	28	102.2 Å²	102.2	11%	0.11	51%	0.505	C	S	.	.	H	α-helix	trans	-56	-42.9	175.7	161.6	-86.2	0	0	0	112.3	L543 K549 A550 K551 Y562 L565 D566	L543-Y547 VanDerWaalsContact O-CB 3.28Å; L543-Y547 WeakPolarHBondContact O-CB 3.19Å; L543-Y547 PolarHBondContact O-N 2.95Å; Y547-K549 VanDerWaalsContact C-N 3.28Å; Y547-K549 PolarHBondContact O-N 3.2Å; Y547-A550 PolarHBondContact O-N 3.36Å; Y547-K551 HydrophobicContact CE1-CD 4.22Å; Y547-K551 HydrophobicContact CE2-CD 4.18Å; Y547-K551 VanDerWaalsContact O-CB 3.3Å; Y547-K551 WeakPolarHBondContact O-CB 3.39Å; Y547-K551 PolarHBondContact O-N 3.29Å; Y547-K551 VanDerWaalsContact OH-CD 3.3Å; Y547-K551 WeakPolarHBondContact OH-CD 3.39Å; Y547-K551 PolarHBondContact OH-NZ 2.85Å; Y547-Y562 HydrophobicContact CD2-CD1 4.05Å; Y547-Y562 HydrophobicContact CD2-CE1 4.43Å; Y547-L565 HydrophobicContact CD2-CD2 3.85Å; Y547-L565 HydrophobicContact CG-CD2 4.14Å; Y547-D566 PolarHBondContact OH-OD1 3.42Å
548	R	52	Low	45	Very low	166 Å²	166	100.9 Å²	100.9	63%	0.626	51%	0.512	S	S	*	.	H	α-helix	trans	-69.6	-21.8	175.5	-93.4	179.2	-65.6	164.3	2.3	114	L544 S546 S552	L544-R548 VanDerWaalsContact O-CZ 3.28Å; L544-R548 PolarHBondContact O-NE 3.12Å; L544-R548 PolarHBondContact O-NH2 3.01Å; S546-R548 VanDerWaalsContact C-N 3.32Å; S546-R548 PolarHBondContact O-N 3.1Å; R548-S552 PolarHBondContact O-OG 3.23Å
549	K	48.2	Very low	45	Very low	162 Å²	162	96 Å²	96	70%	0.704	50%	0.501	S	S	*	.	H	α-helix	trans	-82.2	-37	173	-165.9	-172.3	176.9	-163.7	0	111.4	R545 S546 Y547 S552 S553	R545-K549 PolarHBondContact O-N 3.31Å; R545-K549 VanDerWaalsContact O-N 3.16Å; S546-K549 CarbonylContact O-C 3.59Å; S546-K549 WeakPolarHBondContact O-CA 3Å; S546-K549 WeakPolarHBondContact O-CB 3.5Å; S546-K549 PolarHBondContact O-N 3.28Å; Y547-K549 VanDerWaalsContact C-N 3.28Å; Y547-K549 PolarHBondContact O-N 3.2Å; K549-S552 PolarHBondContact O-N 3.05Å; K549-S552 PolarHBondContact O-OG 3Å; K549-S553 PolarHBondContact O-OG 3.41Å
550	A	43.4	Very low	45.3	Very low	14 Å²	14	92.2 Å²	92.2	12%	0.116	50%	0.5	C	S	.	.	H	α-helix	trans	-72.5	-42.2	177.2	0	0	0	0	0	112.5	S546 Y547 S552 S553 H554 Y562	S546-A550 PolarHBondContact O-N 3.06Å; Y547-A550 PolarHBondContact O-N 3.36Å; A550-S552 PolarHBondContact O-N 3.1Å; A550-S552 VanDerWaalsContact O-N 3.12Å; A550-S553 WeakPolarHBondContact CA-OG 3.43Å; A550-S553 PolarHBondContact O-N 3.38Å; A550-S553 PolarHBondContact O-OG 3.24Å; A550-H554 PolarHBondContact O-N 2.9Å; A550-H554 VanDerWaalsContact O-N 3.1Å; A550-Y562 HydrophobicContact CB-CE1 3.7Å
551	K	46.7	Very low	45.5	Very low	123 Å²	123	94.2 Å²	94.2	54%	0.535	51%	0.509	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-8.5	175.3	-165.8	160.2	-172	169.3	0	113.5	Y547 D566	Y547-K551 HydrophobicContact CE1-CD 4.22Å; Y547-K551 HydrophobicContact CE2-CD 4.18Å; Y547-K551 VanDerWaalsContact O-CB 3.3Å; Y547-K551 WeakPolarHBondContact O-CB 3.39Å; Y547-K551 PolarHBondContact O-N 3.29Å; Y547-K551 VanDerWaalsContact OH-CD 3.3Å; Y547-K551 WeakPolarHBondContact OH-CD 3.39Å; Y547-K551 PolarHBondContact OH-NZ 2.85Å; K551-D566 IonicContact NZ-OD1 2.63Å; K551-D566 PolarHBondContact NZ-OD1 3.39Å; K551-D566 IonicContact NZ-OD2 3.84Å; K551-D566 PolarHBondContact NZ-OD2 2.73Å
552	S	51.3	Low	45.5	Very low	98 Å²	98	92.5 Å²	92.5	69%	0.685	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.3	3.7	169	56.1	0	0	0	0	114.1	R548 K549 A550	R548-S552 PolarHBondContact O-OG 3.23Å; K549-S552 PolarHBondContact O-N 3.05Å; K549-S552 PolarHBondContact O-OG 3Å; A550-S552 PolarHBondContact O-N 3.1Å; A550-S552 VanDerWaalsContact O-N 3.12Å
553	S	46.4	Very low	45.9	Very low	71 Å²	71	94.3 Å²	94.3	50%	0.497	51%	0.507	S	S	.	.	T	Hydrogen-bonded Turn	trans	-130.7	-11.3	-176.8	65	0	0	0	0	115.7	K549 A550	K549-S553 PolarHBondContact O-OG 3.41Å; A550-S553 WeakPolarHBondContact CA-OG 3.43Å; A550-S553 PolarHBondContact O-N 3.38Å; A550-S553 PolarHBondContact O-OG 3.24Å
554	H	42.2	Very low	46.1	Very low	124 Å²	124	98.1 Å²	98.1	57%	0.574	52%	0.523	S	S	*	.	S	Bend	trans	-135.6	141.8	179.3	-54.7	-54.8	0	0	0	111.9	A550	A550-H554 PolarHBondContact O-N 2.9Å; A550-H554 VanDerWaalsContact O-N 3.1Å
555	P	47.2	Very low	46.1	Very low	99 Å²	99	98 Å²	98	64%	0.643	52%	0.522	S	S	*	.			trans	-63.9	155.1	169.1	-20.2	33.1	0	0	0	112.5	T558	P555-T558 PolarHBondContact O-OG1 3.46Å
556	P	42.4	Very low	46.2	Very low	123 Å²	123	91.1 Å²	91.1	80%	0.799	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	154.2	174.2	-22.5	34	0	0	0	113.4
557	G	51.5	Low	46.4	Very low	67 Å²	67	90.2 Å²	90.2	69%	0.691	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	94.8	-7.1	171.3	0	0	0	0	0	117.3
558	T	49.9	Very low	46.3	Very low	112 Å²	112	93.5 Å²	93.5	69%	0.687	51%	0.511	S	S	*	.	S	Bend	trans	-88.5	-3.2	-172.9	41.4	0	0	0	0	116.4	P555	P555-T558 PolarHBondContact O-OG1 3.46Å
559	C	41.9	Very low	46.1	Very low	53 Å²	53	88 Å²	88	36%	0.358	49%	0.493	S	S	.	.			trans	-158.9	120.8	178.9	-176	0	0	0	0	113.2	F561 Y562	C559-F561 VanDerWaalsContact C-N 3.3Å; C559-F561 PolarHBondContact O-N 2.84Å; C559-Y562 HydrophobicContact CB-CD2 3.91Å; C559-Y562 PolarHBondContact O-N 3.26Å; C559-Y562 VanDerWaalsContact O-N 3.1Å
560	P	44.5	Very low	46.1	Very low	109 Å²	109	86.2 Å²	86.2	71%	0.708	48%	0.482	S	S	*	.	H	α-helix	trans	-56.6	-35.6	-177.7	-28.1	35.6	0	0	0	115.1	Y562 E563 E564	P560-Y562 PolarHBondContact O-N 3.06Å; P560-Y562 VanDerWaalsContact O-N 3.11Å; P560-E563 WeakPolarHBondContact O-CB 3.32Å; P560-E563 PolarHBondContact O-N 2.85Å; P560-E563 VanDerWaalsContact O-N 3.07Å; P560-E564 PolarHBondContact O-N 3.07Å
561	F	38.1	Very low	46	Very low	114 Å²	114	88.2 Å²	88.2	50%	0.5	50%	0.498	S	S	.	.	H	α-helix	trans	-60.2	-23.7	179.4	-179.2	-103.8	0	0	0	113.6	C559	C559-F561 VanDerWaalsContact C-N 3.3Å; C559-F561 PolarHBondContact O-N 2.84Å
562	Y	49.7	Very low	45.7	Very low	95 Å²	95	88.8 Å²	88.8	37%	0.373	50%	0.497	S	S	.	.	H	α-helix	trans	-86.7	-27.3	176.9	-75.9	-90.9	0	0	0	113.1	Y547 A550 C559 P560 L565 D566	Y547-Y562 HydrophobicContact CD2-CD1 4.05Å; Y547-Y562 HydrophobicContact CD2-CE1 4.43Å; A550-Y562 HydrophobicContact CB-CE1 3.7Å; C559-Y562 HydrophobicContact CB-CD2 3.91Å; C559-Y562 PolarHBondContact O-N 3.26Å; C559-Y562 VanDerWaalsContact O-N 3.1Å; P560-Y562 PolarHBondContact O-N 3.06Å; P560-Y562 VanDerWaalsContact O-N 3.11Å; Y562-L565 PolarHBondContact O-N 3.05Å; Y562-D566 WeakPolarHBondContact O-CB 3.44Å; Y562-D566 PolarHBondContact O-N 3.09Å
563	E	50.3	Low	45.3	Very low	91 Å²	91	88.5 Å²	88.5	43%	0.425	49%	0.491	S	S	.	.	H	α-helix	trans	-65.1	-45	173.9	-78.7	-61.2	132.6	0	0	111.9	P560 L565 D566 S567	P560-E563 WeakPolarHBondContact O-CB 3.32Å; P560-E563 PolarHBondContact O-N 2.85Å; P560-E563 VanDerWaalsContact O-N 3.07Å; E563-L565 VanDerWaalsContact C-N 3.32Å; E563-L565 PolarHBondContact O-N 3.47Å; E563-D566 PolarHBondContact O-N 2.97Å; E563-S567 VanDerWaalsContact O-CB 3.3Å; E563-S567 WeakPolarHBondContact O-CB 3.5Å; E563-S567 PolarHBondContact O-N 3.45Å; E563-S567 PolarHBondContact O-OG 3.25Å
564	E	42.6	Very low	45	Very low	142 Å²	142	87.6 Å²	87.6	66%	0.664	49%	0.488	S	S	*	.	H	α-helix	trans	-60	-42.8	174.5	-65.4	-170.6	138	0	0	111.4	P560 S567 L568	P560-E564 PolarHBondContact O-N 3.07Å; E564-S567 PolarHBondContact O-N 2.84Å; E564-L568 WeakPolarHBondContact O-CB 3.33Å; E564-L568 PolarHBondContact O-N 3.21Å
565	L	44	Very low	44.7	Very low	24 Å²	24	86.9 Å²	86.9	13%	0.126	49%	0.492	C	S	.	.	H	α-helix	trans	-72.3	-34.3	-177.3	-153.5	76.2	0	0	0	112.7	L543 Y547 Y562 E563 M569	L543-L565 HydrophobicContact CD2-CD1 3.82Å; L543-L565 HydrophobicContact CD2-CD2 4.18Å; L543-L565 HydrophobicContact CG-CD2 4.05Å; Y547-L565 HydrophobicContact CD2-CD2 3.85Å; Y547-L565 HydrophobicContact CG-CD2 4.14Å; Y562-L565 PolarHBondContact O-N 3.05Å; E563-L565 VanDerWaalsContact C-N 3.32Å; E563-L565 PolarHBondContact O-N 3.47Å; L565-M569 WeakPolarHBondContact O-CB 3.27Å; L565-M569 WeakPolarHBondContact O-CG 3.27Å; L565-M569 PolarHBondContact O-N 3.07Å; L565-M569 VanDerWaalsContact O-N 3.13Å
566	D	50.3	Low	44.3	Very low	28 Å²	28	92 Å²	92	15%	0.15	50%	0.499	C	S	.	.	H	α-helix	trans	-66.4	-41.6	172.1	-146.1	58.6	0	0	0	110.6	Y547 K551 Y562 E563 M569 R570	Y547-D566 PolarHBondContact OH-OD1 3.42Å; K551-D566 IonicContact NZ-OD1 2.63Å; K551-D566 PolarHBondContact NZ-OD1 3.39Å; K551-D566 IonicContact NZ-OD2 3.84Å; K551-D566 PolarHBondContact NZ-OD2 2.73Å; Y562-D566 WeakPolarHBondContact O-CB 3.44Å; Y562-D566 PolarHBondContact O-N 3.09Å; E563-D566 PolarHBondContact O-N 2.97Å; D566-M569 PolarHBondContact O-N 3.42Å; D566-R570 WeakPolarHBondContact O-CG 3.37Å; D566-R570 PolarHBondContact O-N 3.26Å; D566-R570 IonicContact OD2-CZ 3.27Å; D566-R570 IonicContact OD2-NH1 2.61Å; D566-R570 PolarHBondContact OD2-NH1 2.78Å; D566-R570 IonicContact OD2-NH2 3.83Å
567	S	47.5	Very low	44.1	Very low	51 Å²	51	89.3 Å²	89.3	36%	0.357	48%	0.483	S	S	.	.	H	α-helix	trans	-69	-39.5	178.5	-58.1	0	0	0	0	112.9	E563 E564 M569 R570 A571	E563-S567 VanDerWaalsContact O-CB 3.3Å; E563-S567 WeakPolarHBondContact O-CB 3.5Å; E563-S567 PolarHBondContact O-N 3.45Å; E563-S567 PolarHBondContact O-OG 3.25Å; E564-S567 PolarHBondContact O-N 2.84Å; S567-M569 VanDerWaalsContact C-N 3.27Å; S567-M569 PolarHBondContact O-N 2.66Å; S567-R570 WeakPolarHBondContact O-CB 3.22Å; S567-R570 PolarHBondContact O-N 3.07Å; S567-R570 PolarHBondContact OG-NH2 2.83Å; S567-A571 PolarHBondContact O-N 2.91Å
568	L	41.7	Very low	43.4	Very low	98 Å²	98	93.4 Å²	93.4	51%	0.513	49%	0.486	S	S	.	.	H	α-helix	trans	-64.3	-32.7	171.8	-174.7	144.5	0	0	0	111.8	E564 R572	E564-L568 WeakPolarHBondContact O-CB 3.33Å; E564-L568 PolarHBondContact O-N 3.21Å; L568-R572 WeakPolarHBondContact O-CB 3.39Å; L568-R572 PolarHBondContact O-N 3.44Å; L568-R572 VanDerWaalsContact O-N 3.09Å
569	M	47.6	Very low	42.9	Very low	51 Å²	51	91 Å²	91	25%	0.251	48%	0.483	S	S	.	.	H	α-helix	trans	-73.4	-37.2	172.2	-76	-66.1	-65.5	0	0	112.7	F540 L544 L565 D566 S567 R572 T573	F540-M569 HydrophobicContact CZ-SD 4.5Å; L544-M569 HydrophobicContact CD2-CE 4.04Å; L544-M569 HydrophobicContact CD2-CG 4.5Å; L544-M569 HydrophobicContact CD2-SD 3.82Å; L565-M569 WeakPolarHBondContact O-CB 3.27Å; L565-M569 WeakPolarHBondContact O-CG 3.27Å; L565-M569 PolarHBondContact O-N 3.07Å; L565-M569 VanDerWaalsContact O-N 3.13Å; D566-M569 PolarHBondContact O-N 3.42Å; S567-M569 VanDerWaalsContact C-N 3.27Å; S567-M569 PolarHBondContact O-N 2.66Å; M569-R572 PolarHBondContact O-N 2.93Å; M569-T573 PolarHBondContact O-N 3.18Å; M569-T573 VanDerWaalsContact O-N 3.13Å; M569-T573 PolarHBondContact O-OG1 2.93Å
570	R	49.9	Very low	42.8	Very low	123 Å²	123	94.1 Å²	94.1	46%	0.464	50%	0.501	S	S	.	.	H	α-helix	trans	-59.4	-48.3	170	-75.4	-175.6	-84.3	-97	-0.1	111.7	D566 S567 R572 T573 A574	D566-R570 WeakPolarHBondContact O-CG 3.37Å; D566-R570 PolarHBondContact O-N 3.26Å; D566-R570 IonicContact OD2-CZ 3.27Å; D566-R570 IonicContact OD2-NH1 2.61Å; D566-R570 PolarHBondContact OD2-NH1 2.78Å; D566-R570 IonicContact OD2-NH2 3.83Å; S567-R570 WeakPolarHBondContact O-CB 3.22Å; S567-R570 PolarHBondContact O-N 3.07Å; S567-R570 PolarHBondContact OG-NH2 2.83Å; R570-R572 VanDerWaalsContact C-N 3.32Å; R570-R572 PolarHBondContact O-N 3.45Å; R570-T573 WeakPolarHBondContact CA-OG1 3.29Å; R570-T573 PolarHBondContact O-N 2.82Å; R570-T573 VanDerWaalsContact O-N 3.11Å; R570-T573 PolarHBondContact O-OG1 3.32Å; R570-A574 PolarHBondContact O-N 3.11Å; R570-A574 VanDerWaalsContact O-N 3.1Å
571	A	40.3	Very low	42.5	Very low	56 Å²	56	94.2 Å²	94.2	46%	0.463	50%	0.499	S	S	.	.	H	α-helix	trans	-58.6	-42.8	176.1	0	0	0	0	0	112	S567 T573 A574 V575	S567-A571 PolarHBondContact O-N 2.91Å; A571-T573 VanDerWaalsContact C-N 3.29Å; A571-T573 PolarHBondContact O-N 2.68Å; A571-A574 PolarHBondContact O-N 3.02Å; A571-A574 VanDerWaalsContact O-N 3.17Å; A571-V575 WeakPolarHBondContact O-CG2 3.38Å; A571-V575 PolarHBondContact O-N 3.31Å
572	R	41.1	Very low	42.3	Very low	135 Å²	135	100.2 Å²	100.2	51%	0.509	52%	0.519	S	S	.	.	H	α-helix	trans	-62	-32.7	175.9	-177.5	178.8	172.8	-147.5	-4.6	113.4	L568 M569 R570 R576	L568-R572 WeakPolarHBondContact O-CB 3.39Å; L568-R572 PolarHBondContact O-N 3.44Å; L568-R572 VanDerWaalsContact O-N 3.09Å; M569-R572 PolarHBondContact O-N 2.93Å; R570-R572 VanDerWaalsContact C-N 3.32Å; R570-R572 PolarHBondContact O-N 3.45Å; R572-R576 PolarHBondContact O-N 3.16Å
573	T	42.6	Very low	41.7	Very low	92 Å²	92	105.3 Å²	105.3	56%	0.564	55%	0.546	S	S	*	.	H	α-helix	trans	-71.2	-41.4	171.9	29.9	0	0	0	0	112.6	M569 R570 A571 V575 R576 S577	M569-T573 PolarHBondContact O-N 3.18Å; M569-T573 VanDerWaalsContact O-N 3.13Å; M569-T573 PolarHBondContact O-OG1 2.93Å; R570-T573 WeakPolarHBondContact CA-OG1 3.29Å; R570-T573 PolarHBondContact O-N 2.82Å; R570-T573 VanDerWaalsContact O-N 3.11Å; R570-T573 PolarHBondContact O-OG1 3.32Å; A571-T573 VanDerWaalsContact C-N 3.29Å; A571-T573 PolarHBondContact O-N 2.68Å; T573-V575 PolarHBondContact O-N 2.71Å; T573-R576 WeakPolarHBondContact O-CA 3.23Å; T573-R576 WeakPolarHBondContact O-CB 3.23Å; T573-R576 PolarHBondContact O-N 2.84Å; T573-S577 PolarHBondContact O-N 3.28Å; T573-S577 VanDerWaalsContact O-N 3.15Å
574	A	39.2	Very low	40.9	Very low	52 Å²	52	105.3 Å²	105.3	43%	0.43	56%	0.562	S	S	.	*	H	α-helix	trans	-62.5	-41.4	176.5	0	0	0	0	0	112.7	R570 A571 R576 S577 M578	R570-A574 PolarHBondContact O-N 3.11Å; R570-A574 VanDerWaalsContact O-N 3.1Å; A571-A574 PolarHBondContact O-N 3.02Å; A571-A574 VanDerWaalsContact O-N 3.17Å; A574-R576 PolarHBondContact O-N 3.22Å; A574-S577 PolarHBondContact O-N 3.41Å; A574-S577 PolarHBondContact O-OG 2.87Å; A574-M578 WeakPolarHBondContact O-CG 3.49Å; A574-M578 PolarHBondContact O-N 3.25Å; A574-M578 VanDerWaalsContact O-N 3.1Å
575	V	37.1	Very low	40.2	Very low	109 Å²	109	103.5 Å²	103.5	66%	0.661	57%	0.571	S	S	*	*	H	α-helix	trans	-61.4	-26.6	172.2	172.8	0	0	0	0	112	A571 T573	A571-V575 WeakPolarHBondContact O-CG2 3.38Å; A571-V575 PolarHBondContact O-N 3.31Å; T573-V575 PolarHBondContact O-N 2.71Å
576	R	37.4	Very low	39.4	Very low	207 Å²	207	105.9 Å²	105.9	78%	0.781	60%	0.601	S	S	*	*	H	α-helix	trans	-82.8	-25.9	178.5	-148.2	178.2	80.5	135.6	3	113.6	R572 T573 A574	R572-R576 PolarHBondContact O-N 3.16Å; T573-R576 WeakPolarHBondContact O-CA 3.23Å; T573-R576 WeakPolarHBondContact O-CB 3.23Å; T573-R576 PolarHBondContact O-N 2.84Å; A574-R576 PolarHBondContact O-N 3.22Å
577	S	38.3	Very low	38.4	Very low	67 Å²	67	112.5 Å²	112.5	47%	0.469	64%	0.636	S	S	.	*	H	α-helix	trans	-79.8	-29.1	170.9	44.8	0	0	0	0	112.8	T573 A574 G579 T580	T573-S577 PolarHBondContact O-N 3.28Å; T573-S577 VanDerWaalsContact O-N 3.15Å; A574-S577 PolarHBondContact O-N 3.41Å; A574-S577 PolarHBondContact O-OG 2.87Å; S577-G579 PolarHBondContact O-N 3.4Å; S577-T580 PolarHBondContact O-N 3.24Å; S577-T580 VanDerWaalsContact O-N 3.15Å; S577-T580 PolarHBondContact O-OG1 2.83Å
578	M	38.2	Very low	37.7	Very low	152 Å²	152	116.4 Å²	116.4	75%	0.749	66%	0.66	S	S	*	*	H	α-helix	trans	-55.9	-32	169.5	-70.3	-84.4	-80.8	0	0	112.6	A574 T580	A574-M578 WeakPolarHBondContact O-CG 3.49Å; A574-M578 PolarHBondContact O-N 3.25Å; A574-M578 VanDerWaalsContact O-N 3.1Å; M578-T580 VanDerWaalsContact C-N 3.3Å; M578-T580 PolarHBondContact O-N 3.16Å
579	G	39.8	Very low	37	Very low	62 Å²	62	123.1 Å²	123.1	64%	0.639	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.8	-16.1	179.3	0	0	0	0	0	115.5	S577	S577-G579 PolarHBondContact O-N 3.4Å
580	T	39.4	Very low	35.9	Very low	119 Å²	119	126.9 Å²	126.9	73%	0.73	71%	0.708	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.3	3.5	-176.6	41.6	0	0	0	0	114.4	S577 M578	S577-T580 PolarHBondContact O-N 3.24Å; S577-T580 VanDerWaalsContact O-N 3.15Å; S577-T580 PolarHBondContact O-OG1 2.83Å; M578-T580 VanDerWaalsContact C-N 3.3Å; M578-T580 PolarHBondContact O-N 3.16Å
581	V	37.6	Very low	34.8	Very low	111 Å²	111	123.8 Å²	123.8	67%	0.673	72%	0.715	S	S	*	*	S	Bend	trans	-99.2	-9.7	-176.4	-175.2	0	0	0	0	112.6	E583	V581-E583 PolarHBondContact O-N 3.02Å
582	R	33.5	Very low	34.4	Very low	239 Å²	239	130.5 Å²	130.5	90%	0.902	74%	0.737	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.6	10.8	-169.7	-139.5	-175.1	-168.4	-162	3.2	116.6
583	E	36.6	Very low	33.8	Very low	203 Å²	203	128.6 Å²	128.6	95%	0.949	74%	0.744	S	S	*	*	T	Hydrogen-bonded Turn	trans	-123.6	29.2	175.4	-67.8	-171.5	136	0	0	112.5	V581	V581-E583 PolarHBondContact O-N 3.02Å
584	A	34.4	Very low	33.1	Very low	91 Å²	91	129.7 Å²	129.7	75%	0.752	76%	0.756	S	S	*	*			trans	-137.6	59.2	177.4	0	0	0	0	0	112.3
585	A	27.6	Very low	32.6	Very low	103 Å²	103	131.2 Å²	131.2	85%	0.851	77%	0.768	S	S	*	*			trans	-145.9	123.5	176.2	0	0	0	0	0	112.4
586	G	27.5	Very low	32.2	Very low	75 Å²	75	134.3 Å²	134.3	77%	0.773	78%	0.775	S	S	*	*			trans	100.4	109	-179	0	0	0	0	0	112.6
587	L	28.5	Very low	31.8	Very low	166 Å²	166	129.9 Å²	129.9	87%	0.869	77%	0.772	S	S	*	*			cis	-138.5	158.5	1.7	-77.1	160.5	0	0	0	109.5
588	P	32.9	Very low	31.3	Very low	133 Å²	133	134.1 Å²	134.1	86%	0.864	79%	0.789	S	S	*	*				-128.3	180	110.9	38	-33.3	0	0	0	113.4
589	R	26.8	Very low	30.7	Very low	239 Å²	239	132 Å²	132	90%	0.902	80%	0.796	S	S	*	*			trans	-120.2	126.2	-165.3	171.5	-174	-178.3	-179.1	2.4	111.2
590	C	24.4	Very low	30.1	Very low	130 Å²	130	136.9 Å²	136.9	88%	0.878	80%	0.802	S	S	*	*			trans	60.4	125.2	154.6	-167.8	0	0	0	0	119.1
591	G	28.3	Very low	29.6	Very low	59 Å²	59	138.7 Å²	138.7	61%	0.608	80%	0.802	S	S	*	*			trans	138.3	115.4	148.1	0	0	0	0	0	115.5
592	Q	30.5	Very low	28.9	Very low	197 Å²	197	138.2 Å²	138.2	92%	0.921	81%	0.81	S	S	*	*			trans	65.4	156	155.9	-61.8	164.7	-7.9	0	0	117.7
593	S	29.1	Very low	28.5	Very low	94 Å²	94	139.1 Å²	139.1	66%	0.657	81%	0.813	S	S	*	*			cis	-170.6	130.2	-43.2	46.9	0	0	0	0	110.4
594	S	28.1	Very low	27.8	Very low	116 Å²	116	133.2 Å²	133.2	81%	0.811	81%	0.807	S	S	*	*			trans	55.6	158.5	151.2	54.7	0	0	0	0	122.2
595	A	28.4	Very low	27.4	Very low	84 Å²	84	137.7 Å²	137.7	69%	0.694	81%	0.812	S	S	*	*			trans	81.8	123.2	177.9	0	0	0	0	0	116.1
596	E	29	Very low	27.3	Very low	173 Å²	173	139.5 Å²	139.5	81%	0.808	81%	0.813	S	S	*	*			cis	77.3	96.1	42.8	-62.3	-179.2	158	0	0	110.8
597	T	28.5	Very low	27.6	Very low	115 Å²	115	140 Å²	140	71%	0.706	81%	0.809	S	S	*	*				93.7	137.6	74.3	48.4	0	0	0	0	112.8
598	D	27.7	Very low	27.8	Very low	155 Å²	155	138.4 Å²	138.4	83%	0.829	80%	0.802	S	S	*	*			trans	49.1	118.9	154.3	-50.9	-18.9	0	0	0	120.7
599	A	26.9	Very low	28	Very low	108 Å²	108	139 Å²	139	89%	0.893	79%	0.793	S	S	*	*				-161.2	160.8	114.5	0	0	0	0	0	110.8
600	Q	26.6	Very low	28.1	Very low	164 Å²	164	134.6 Å²	134.6	77%	0.766	79%	0.787	S	S	*	*			trans	-131.1	158.3	-175.3	172.5	168.2	-47.5	0	0	110.3
601	E	28	Very low	28.2	Very low	157 Å²	157	131.9 Å²	131.9	73%	0.734	77%	0.774	S	S	*	*			trans	66.1	120.6	166.5	-83.9	159.5	-129	0	0	120.1
602	A	23.1	Very low	28.2	Very low	101 Å²	101	135.9 Å²	135.9	84%	0.835	79%	0.786	S	S	*	*				-157.7	143.1	128.9	0	0	0	0	0	109.6
603	W	25.5	Very low	28.1	Very low	258 Å²	258	135.6 Å²	135.6	98%	0.977	78%	0.782	S	S	*	*			trans	-97	158.4	174.1	-75.4	76.8	0	0	0	111.2
604	G	22.9	Very low	28.4	Very low	79 Å²	79	137.3 Å²	137.3	81%	0.814	79%	0.791	S	S	*	*			trans	176.7	115.7	168.7	0	0	0	0	0	114.3
605	E	24.7	Very low	28.3	Very low	186 Å²	186	136.4 Å²	136.4	87%	0.869	79%	0.79	S	S	*	*			trans	-95.3	146.9	171.9	-59.7	171.4	109.8	0	0	111.5
606	V	26.3	Very low	28.4	Very low	141 Å²	141	138.9 Å²	138.9	86%	0.855	80%	0.797	S	S	*	*				-174.6	136.6	127.8	-88.6	0	0	0	0	106.9
607	A	33.5	Very low	28.1	Very low	85 Å²	85	138.3 Å²	138.3	70%	0.702	80%	0.799	S	S	*	*			cis	75.9	140	46.4	0	0	0	0	0	112.4
608	D	33.1	Very low	27.9	Very low	133 Å²	133	138.2 Å²	138.2	71%	0.711	80%	0.801	S	S	*	*			cis	-158.8	-168.5	-0.4	-145	-28	0	0	0	111.9
609	E	36.3	Very low	28.3	Very low	145 Å²	145	136.1 Å²	136.1	68%	0.678	80%	0.796	S	S	*	*			trans	79	143.9	168.6	-44.4	-56	169.1	0	0	116.8
610	D	28.4	Very low	28.1	Very low	147 Å²	147	140.7 Å²	140.7	79%	0.786	80%	0.796	S	S	*	*			cis	-147	160.2	12.3	-133.2	-37.5	0	0	0	107.2
611	A	27.1	Very low	28	Very low	72 Å²	72	137.4 Å²	137.4	60%	0.595	80%	0.797	S	S	*	*			cis	-159.8	164.7	14.5	0	0	0	0	0	114
612	V	28.5	Very low	28.2	Very low	143 Å²	143	136.2 Å²	136.2	87%	0.867	80%	0.803	S	S	*	*			trans	70.2	117.5	160.9	-166	0	0	0	0	119.5
613	K	28.7	Very low	28.1	Very low	191 Å²	191	138.5 Å²	138.5	83%	0.83	80%	0.801	S	S	*	*			trans	-102.8	-177.7	178.4	-96.7	160.6	-174.5	154.7	0	110.2
614	P	35.4	Very low	28.1	Very low	130 Å²	130	133.4 Å²	133.4	84%	0.844	79%	0.79	S	S	*	*			cis	-137.5	-163.8	25.3	41.6	-19.7	0	0	0	116.3
615	A	25.9	Very low	28.1	Very low	97 Å²	97	133.6 Å²	133.6	80%	0.802	79%	0.792	S	S	*	*			trans	-116.7	179.8	-154.7	0	0	0	0	0	116.2
616	T	31	Very low	28	Very low	137 Å²	137	132.3 Å²	132.3	84%	0.84	78%	0.784	S	S	*	*			trans	-51.2	139.1	-173.3	-43	0	0	0	0	116.7
617	L	22.4	Very low	27.8	Very low	161 Å²	161	133 Å²	133	84%	0.843	78%	0.778	S	S	*	*			trans	-148.8	150.3	160.2	-107.9	173.4	0	0	0	112.8
618	C	24.7	Very low	27.2	Very low	112 Å²	112	134.7 Å²	134.7	76%	0.757	77%	0.772	S	S	*	*			trans	-148	156.1	159.1	-81.5	0	0	0	0	105.3
619	P	35.2	Very low	26.6	Very low	112 Å²	112	138.6 Å²	138.6	73%	0.727	78%	0.777	S	S	*	*			cis	-139.8	-179.1	11.1	43.4	-26.2	0	0	0	116.5
620	K	23.7	Very low	25.9	Very low	203 Å²	203	139.1 Å²	139.1	88%	0.883	78%	0.779	S	S	*	*			trans	72.7	150.8	147.9	-85	-176.6	175.9	-174.2	0	123.1
621	A	24.2	Very low	25.9	Very low	95 Å²	95	139 Å²	139	79%	0.785	77%	0.774	S	S	*	*			trans	78.1	155	156.6	0	0	0	0	0	118.3
622	P	31.3	Very low	25.8	Very low	132 Å²	132	144.2 Å²	144.2	86%	0.857	79%	0.786	S	S	*	*			cis	-114.5	-171.1	5	42.9	-32.2	0	0	0	115.3
623	D	21.3	Very low	26	Very low	150 Å²	150	145 Å²	145	80%	0.802	78%	0.78	S	S	*	*			trans	-106	-176.8	-177	-164.6	0.4	0	0	0	111.5
624	M	24.7	Very low	25.9	Very low	150 Å²	150	141.3 Å²	141.3	74%	0.739	77%	0.77	S	S	*	*			trans	79.5	87.7	176.7	-59.7	-172	-178.7	0	0	118	F626	M624-F626 HydrophobicContact CE-CE2 4.46Å; M624-F626 HydrophobicContact CG-CE2 4.46Å; M624-F626 HydrophobicContact SD-CD2 4.44Å; M624-F626 HydrophobicContact SD-CE2 3.95Å
625	G	23	Very low	25.4	Very low	83 Å²	83	142.1 Å²	142.1	86%	0.856	76%	0.762	S	S	*	*			trans	-119.6	102.6	141.4	0	0	0	0	0	108
626	F	23.3	Very low	25.1	Very low	159 Å²	159	144.3 Å²	144.3	70%	0.697	76%	0.759	S	S	*	*			trans	-63.9	153.1	-152.1	-124.2	-94.4	0	0	0	117.4	M624	M624-F626 HydrophobicContact CE-CE2 4.46Å; M624-F626 HydrophobicContact CG-CE2 4.46Å; M624-F626 HydrophobicContact SD-CD2 4.44Å; M624-F626 HydrophobicContact SD-CE2 3.95Å
627	E	21.9	Very low	24.8	Very low	156 Å²	156	142 Å²	142	73%	0.729	75%	0.748	S	S	*	*			trans	-59	179.8	158.8	-55.9	179	113.5	0	0	111.2
628	M	21.2	Very low	24.9	Very low	120 Å²	120	142 Å²	142	59%	0.591	74%	0.744	S	S	*	*			cis	-177.4	154.5	38.1	-167.1	-168.6	-67.6	0	0	110.5
629	R	20.7	Very low	25	Very low	215 Å²	215	145 Å²	145	81%	0.811	75%	0.747	S	S	*	*			trans	146.2	134.6	134.9	-82.9	-75.1	-148.2	-102.6	-1.8	113.8
630	H	21.7	Very low	24.5	Very low	157 Å²	157	146.8 Å²	146.8	73%	0.727	75%	0.75	S	S	*	*			trans	-68	-178.7	153.9	-62.6	-157.3	0	0	0	109.7
631	E	27.7	Very low	24.8	Very low	143 Å²	143	143.1 Å²	143.1	67%	0.668	74%	0.739	S	S	*	*			cis	-161.6	-148.8	20.8	-151.6	129.4	-128.1	0	0	110.5	E633	E631-E633 HydrophobicContact CG-CG 4.47Å
632	E	25.2	Very low	24.8	Very low	182 Å²	182	147.4 Å²	147.4	85%	0.85	74%	0.74	S	S	*	*			trans	82.2	103.9	178.8	-57	177.1	-168.9	0	0	112.6
633	E	32.6	Very low	24.5	Very low	159 Å²	159	149.5 Å²	149.5	74%	0.743	74%	0.739	S	S	*	*			cis	64.8	136.2	42.2	-47	-165.7	140.6	0	0	112.2	E631	E631-E633 HydrophobicContact CG-CG 4.47Å
634	D	26.9	Very low	24.7	Very low	115 Å²	115	149.2 Å²	149.2	62%	0.615	74%	0.737	S	S	*	*			cis	-160.6	175.1	3.5	-144.8	-14.7	0	0	0	114.4
635	Q	25.3	Very low	24.6	Very low	146 Å²	146	148.9 Å²	148.9	68%	0.682	74%	0.738	S	S	*	*			trans	71.2	140.5	139.7	-85.9	166.4	59.2	0	0	124.9
636	I	19.7	Very low	25.5	Very low	143 Å²	143	150.6 Å²	150.6	73%	0.733	73%	0.734	S	S	*	*			trans	82.3	113	142.7	-67.5	162.1	0	0	0	121.6
637	S	23.8	Very low	25.9	Very low	88 Å²	88	146.7 Å²	146.7	62%	0.615	74%	0.739	S	S	*	*			trans	40.8	159.8	133	-135	0	0	0	0	126.3
638	E	24.2	Very low	26.1	Very low	161 Å²	161	143.8 Å²	143.8	75%	0.752	74%	0.741	S	S	*	*			trans	56.3	128.7	165.9	-74.7	124.3	-107.6	0	0	118.4
639	Q	26.6	Very low	26.6	Very low	177 Å²	177	146.2 Å²	146.2	83%	0.827	76%	0.756	S	S	*	*			cis	77.4	122.4	41.5	-66.8	-165.7	-10.7	0	0	115.8
640	D	26.2	Very low	27.1	Very low	148 Å²	148	140.7 Å²	140.7	79%	0.791	75%	0.75	S	S	*	*			trans	166.4	150.7	151	-94.5	-1.6	0	0	0	110.4
641	I	29.3	Very low	27.5	Very low	127 Å²	127	142.4 Å²	142.4	65%	0.651	76%	0.755	S	S	*	*			cis	-159.5	136.2	-15.3	-124.1	167	0	0	0	109.9
642	F	25	Very low	27.1	Very low	184 Å²	184	141.3 Å²	141.3	81%	0.807	76%	0.762	S	S	*	*			trans	46.3	161.4	149.3	-76.7	-117.6	0	0	0	122.6
643	E	25	Very low	27.9	Very low	177 Å²	177	138 Å²	138	83%	0.827	76%	0.757	S	S	*	*			cis	-112.4	-160.4	6.6	-60.7	174	118.9	0	0	110.8
644	D	25.1	Very low	27.5	Very low	143 Å²	143	136.6 Å²	136.6	77%	0.765	76%	0.759	S	S	*	*			cis	-154.5	173.6	4.9	-173	22.7	0	0	0	110.7
645	L	22.1	Very low	27.4	Very low	144 Å²	144	139.5 Å²	139.5	75%	0.754	77%	0.769	S	S	*	*			trans	-152.1	-173.8	-167.6	-90.4	173	0	0	0	112.8
646	P	42.9	Very low	27.4	Very low	118 Å²	118	136.5 Å²	136.5	77%	0.766	77%	0.769	S	S	*	*			cis	-136	160.1	-13.7	22.1	2	0	0	0	118
647	G	30.7	Very low	27.6	Very low	78 Å²	78	135.1 Å²	135.1	80%	0.804	77%	0.767	S	S	*	*			trans	94.4	144.7	143	0	0	0	0	0	120.2
648	A	26.3	Very low	27.7	Very low	94 Å²	94	141.2 Å²	141.2	78%	0.777	78%	0.778	S	S	*	*			cis	-162.1	143.1	-4.3	0	0	0	0	0	115.8
649	L	31.6	Very low	27.6	Very low	172 Å²	172	141.5 Å²	141.5	90%	0.901	78%	0.779	S	S	*	*			trans	63	119.2	148.5	-65.7	173.5	0	0	0	125.7
650	S	31	Very low	28.4	Very low	99 Å²	99	138.1 Å²	138.1	69%	0.692	77%	0.772	S	S	*	*				130.5	105.9	115.2	-173.6	0	0	0	0	122.2
651	K	29.9	Very low	28.2	Very low	192 Å²	192	138.1 Å²	138.1	84%	0.835	77%	0.772	S	S	*	*			trans	73.7	105.1	140.2	-66.6	178.6	-179.6	-179.1	0	125.3
652	C	20.5	Very low	27.9	Very low	121 Å²	121	138 Å²	138	82%	0.818	77%	0.773	S	S	*	*				57.4	158.3	108.7	-72	0	0	0	0	124.1
653	P	42.3	Very low	27.8	Very low	113 Å²	113	140.1 Å²	140.1	73%	0.734	78%	0.775	S	S	*	*				-147.2	-176.3	-50.1	39.5	-18.9	0	0	0	116.9
654	T	23.1	Very low	27.7	Very low	128 Å²	128	135.2 Å²	135.2	79%	0.785	77%	0.773	S	S	*	*			trans	111.3	140.3	146.9	-37.9	0	0	0	0	120.6
655	E	24.8	Very low	27.7	Very low	176 Å²	176	136.8 Å²	136.8	82%	0.822	78%	0.775	S	S	*	*			trans	-133.9	-162.1	173.9	-65.6	-160.7	70.7	0	0	110.2
656	A	25.5	Very low	27.7	Very low	84 Å²	84	137 Å²	137	69%	0.694	78%	0.777	S	S	*	*			cis	-160	152.1	11.8	0	0	0	0	0	110.2
657	V	24.1	Very low	26.8	Very low	113 Å²	113	135.5 Å²	135.5	69%	0.685	77%	0.77	S	S	*	*				81.5	97.7	80.1	179.4	0	0	0	0	117
658	Y	24.7	Very low	26.6	Very low	217 Å²	217	140.9 Å²	140.9	85%	0.851	77%	0.774	S	S	*	*			trans	80.2	173.6	146.4	-84.8	-105.4	0	0	0	124.3
659	Q	22.4	Very low	26.4	Very low	167 Å²	167	142.4 Å²	142.4	78%	0.78	77%	0.769	S	S	*	*			trans	-108.6	-177.1	-154	-85.6	-178.5	-31.3	0	0	113.8
660	P	44.4	Very low	26.1	Very low	105 Å²	105	141.7 Å²	141.7	68%	0.682	76%	0.761	S	S	*	*			cis	-141.6	-170.6	-33.6	37.7	-18.2	0	0	0	115.4
661	L	22.6	Very low	25.8	Very low	149 Å²	149	143.6 Å²	143.6	78%	0.78	76%	0.763	S	S	*	*			trans	111.2	129.6	139.3	-130.5	84.8	0	0	0	122
662	D	22.3	Very low	25.7	Very low	125 Å²	125	143.5 Å²	143.5	67%	0.668	77%	0.766	S	S	*	*			trans	79	146.8	142.7	-99.9	8	0	0	0	126.5
663	W	22.7	Very low	26.1	Very low	227 Å²	227	144.9 Å²	144.9	86%	0.86	77%	0.765	S	S	*	*			trans	17.2	143.2	169.9	-61.4	95.3	0	0	0	124.7
664	G	22.6	Very low	25.5	Very low	75 Å²	75	145.3 Å²	145.3	77%	0.773	76%	0.758	S	S	*	*			trans	170.1	135.2	157.3	0	0	0	0	0	112.8
665	E	24.9	Very low	25.7	Very low	175 Å²	175	142 Å²	142	82%	0.818	75%	0.748	S	S	*	*			trans	-112.3	166.3	172.9	-69.4	176	119.2	0	0	110.3
666	D	21.9	Very low	25.9	Very low	149 Å²	149	141.1 Å²	141.1	80%	0.797	74%	0.744	S	S	*	*			trans	66	159.5	166.4	-68.6	-45.1	0	0	0	119.5
667	S	25.3	Very low	25.9	Very low	87 Å²	87	147.1 Å²	147.1	61%	0.608	75%	0.749	S	S	*	*			cis	-170.3	153.7	-36.6	-98.1	0	0	0	0	108.3
668	E	25.3	Very low	26	Very low	190 Å²	190	145 Å²	145	89%	0.888	75%	0.751	S	S	*	*			trans	62.4	169.1	166.1	-67	169.8	-170.3	0	0	117.5
669	N	23.1	Very low	26.3	Very low	126 Å²	126	139.3 Å²	139.3	67%	0.674	74%	0.735	S	S	*	*				-159.7	172.4	-50.5	-164.5	20.5	0	0	0	108.8
670	E	25.4	Very low	26.6	Very low	158 Å²	158	137.5 Å²	137.5	74%	0.738	74%	0.737	S	S	*	*			trans	67.6	165.2	162.5	-69.9	167.2	-152.5	0	0	119.6
671	N	24.5	Very low	25.5	Very low	138 Å²	138	137.4 Å²	137.4	74%	0.738	74%	0.739	S	S	*	*				-171.7	170.3	-56.6	-103.2	-25.9	0	0	0	111
672	E	28.4	Very low	25.7	Very low	190 Å²	190	138 Å²	138	89%	0.888	74%	0.738	S	S	*	*			trans	67.7	163.5	164.4	-39.5	-159.9	148.2	0	0	119.3
673	D	28.5	Very low	25.7	Very low	151 Å²	151	139.8 Å²	139.8	81%	0.807	74%	0.742	S	S	*	*				-157.5	-175.6	-63.9	-148.7	17.7	0	0	0	107.2
674	E	30.1	Very low	25.6	Very low	122 Å²	122	139.3 Å²	139.3	57%	0.57	74%	0.74	S	S	*	*			cis	-152.1	157	1.8	-167.8	-85.5	133.7	0	0	109.6	Q676	E674-Q676 PolarHBondContact OE2-NE2 2.92Å
675	G	26.2	Very low	25.6	Very low	57 Å²	57	147 Å²	147	59%	0.588	75%	0.746	S	S	*	*			trans	89.1	163.4	149.8	0	0	0	0	0	119.5
676	Q	29	Very low	25.5	Very low	158 Å²	158	146 Å²	146	74%	0.738	74%	0.742	S	S	*	*			cis	-169.1	152.6	-10.3	-111.4	179.2	63	0	0	107.1	E674	E674-Q676 PolarHBondContact OE2-NE2 2.92Å
677	W	25.7	Very low	25.7	Very low	210 Å²	210	147 Å²	147	80%	0.795	74%	0.741	S	S	*	*			cis	-160.8	160.2	-9.8	-155.2	53.8	0	0	0	108.2	N679	W677-N679 WeakPolarHBondContact CH2-ND2 3.49Å; W677-N679 VanDerWaalsContact CZ2-ND2 3.28Å; W677-N679 WeakPolarHBondContact CZ2-ND2 3.42Å; W677-N679 VanDerWaalsContact CZ3-ND2 3.31Å; W677-N679 WeakPolarHBondContact CZ3-ND2 3.35Å
678	G	26	Very low	25.4	Very low	70 Å²	70	148.2 Å²	148.2	72%	0.722	75%	0.75	S	S	*	*			trans	172.2	74.4	-178.5	0	0	0	0	0	116.8
679	N	30.3	Very low	25.6	Very low	97 Å²	97	144.6 Å²	144.6	52%	0.519	75%	0.746	S	S	.	*			trans	-67.4	158.9	-164.6	-53.1	-35.6	0	0	0	116.5	W677	W677-N679 WeakPolarHBondContact CH2-ND2 3.49Å; W677-N679 VanDerWaalsContact CZ2-ND2 3.28Å; W677-N679 WeakPolarHBondContact CZ2-ND2 3.42Å; W677-N679 VanDerWaalsContact CZ3-ND2 3.31Å; W677-N679 WeakPolarHBondContact CZ3-ND2 3.35Å
680	P	28.5	Very low	26.2	Very low	128 Å²	128	143.2 Å²	143.2	83%	0.831	75%	0.746	S	S	*	*				-134.1	154.2	96.5	38.7	-30.4	0	0	0	116.3
681	S	22.8	Very low	26.3	Very low	103 Å²	103	144.3 Å²	144.3	72%	0.72	75%	0.751	S	S	*	*			trans	-77	173.6	172.8	-28.2	0	0	0	0	112
682	Q	25.3	Very low	26.7	Very low	163 Å²	163	145.6 Å²	145.6	76%	0.762	75%	0.753	S	S	*	*			cis	-159.5	154.1	-1.5	-141.6	178.1	-94.4	0	0	104
683	E	23.2	Very low	27	Very low	162 Å²	162	141.3 Å²	141.3	76%	0.757	74%	0.736	S	S	*	*			cis	-157.8	-177	45.8	-73.7	-162.6	141.3	0	0	111.7
684	R	21.4	Very low	27.3	Very low	216 Å²	216	140.5 Å²	140.5	82%	0.815	73%	0.731	S	S	*	*			trans	-134.8	133.9	-172.5	-179.3	-173.8	-167.9	170.5	6.3	112
685	W	21.4	Very low	27.5	Very low	238 Å²	238	143.8 Å²	143.8	90%	0.902	75%	0.746	S	S	*	*			trans	-136.8	165.4	157.1	-83.9	106.6	0	0	0	110.9
686	Q	22.7	Very low	28.1	Very low	154 Å²	154	147.6 Å²	147.6	72%	0.72	75%	0.747	S	S	*	*			trans	-101.9	174.5	-165.3	-69.2	177.2	-96.4	0	0	113.7
687	E	26.2	Very low	28.4	Very low	168 Å²	168	146.7 Å²	146.7	79%	0.785	75%	0.746	S	S	*	*			trans	-64.9	141.6	-176.5	-52	125.6	120.3	0	0	113.2
688	S	20.5	Very low	28.7	Very low	113 Å²	113	144 Å²	144	79%	0.79	75%	0.746	S	S	*	*				167.1	120.1	123.5	-77.1	0	0	0	0	113.8
689	S	28.1	Very low	29	Very low	115 Å²	115	146.3 Å²	146.3	80%	0.804	74%	0.741	S	S	*	*			trans	68.9	153.9	152.2	-166	0	0	0	0	120.3
690	S	36.8	Very low	29.2	Very low	97 Å²	97	150.4 Å²	150.4	68%	0.678	76%	0.757	S	S	*	*			trans	58.4	71.7	158	52.7	0	0	0	0	119.1
691	E	27.2	Very low	29.4	Very low	180 Å²	180	154 Å²	154	84%	0.841	76%	0.763	S	S	*	*	S	Bend	trans	-120.3	-16.6	154.7	-158.2	164.2	-152.3	0	0	113.6	D693	E691-D693 VanDerWaalsContact C-N 3.34Å; E691-D693 PolarHBondContact O-N 2.72Å
692	E	33.4	Very low	29.5	Very low	166 Å²	166	152.9 Å²	152.9	78%	0.776	77%	0.767	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.2	-16.8	176.8	-66.3	-161.2	146.4	0	0	114.7	K696	E692-K696 PolarHBondContact O-NZ 3.49Å
693	D	33.2	Very low	29.8	Very low	99 Å²	99	152.7 Å²	152.7	53%	0.529	77%	0.771	S	S	.	*	T	Hydrogen-bonded Turn	trans	-97.6	-9.2	-173	-75.4	-33.8	0	0	0	115	E691 K696	E691-D693 VanDerWaalsContact C-N 3.34Å; E691-D693 PolarHBondContact O-N 2.72Å; D693-K696 IonicContact OD1-NZ 3.44Å; D693-K696 PolarHBondContact OD1-NZ 2.9Å
694	L	35	Very low	30.6	Very low	135 Å²	135	155.5 Å²	155.5	71%	0.707	78%	0.776	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.2	-32	-178.7	-142.8	71.6	0	0	0	113.2	K696	L694-K696 VanDerWaalsContact C-N 3.27Å; L694-K696 PolarHBondContact O-N 2.94Å
695	E	35.5	Very low	31	Very low	190 Å²	190	153.1 Å²	153.1	89%	0.888	78%	0.779	S	S	*	*	G	3₁₀ helix	trans	-72.7	-16.4	171.7	-75.6	-156.4	132.9	0	0	113.4	L697	E695-L697 VanDerWaalsContact C-N 3.32Å
696	K	37	Very low	31.9	Very low	138 Å²	138	146.7 Å²	146.7	60%	0.6	78%	0.776	S	S	*	*	G	3₁₀ helix	trans	-82	-8	178.2	-55.8	-167.7	-166.5	82.1	0	113.6	E692 D693 L694	E692-K696 PolarHBondContact O-NZ 3.49Å; D693-K696 IonicContact OD1-NZ 3.44Å; D693-K696 PolarHBondContact OD1-NZ 2.9Å; L694-K696 VanDerWaalsContact C-N 3.27Å; L694-K696 PolarHBondContact O-N 2.94Å
697	L	35.5	Very low	32.5	Very low	139 Å²	139	146.9 Å²	146.9	73%	0.728	78%	0.777	S	S	*	*	G	3₁₀ helix	trans	-102.1	0.3	-170.3	-96.2	164.4	0	0	0	115.5	E695	E695-L697 VanDerWaalsContact C-N 3.32Å
698	I	32.8	Very low	33.5	Very low	154 Å²	154	148 Å²	148	79%	0.79	78%	0.779	S	S	*	*	S	Bend	trans	-118.3	58.8	177.9	-42.7	-178.7	0	0	0	111.6
699	D	32.9	Very low	34.6	Very low	117 Å²	117	145.1 Å²	145.1	63%	0.626	76%	0.76	S	S	*	*	S	Bend	trans	-155.6	26.8	161.4	-133.4	3.7	0	0	0	114.4	R721	D699-R721 IonicContact OD2-NH2 3.68Å; D699-R721 PolarHBondContact OD2-NH2 2.95Å
700	H	33.5	Very low	36.1	Very low	184 Å²	184	144.8 Å²	144.8	85%	0.852	74%	0.741	S	S	*	*	S	Bend	trans	-158	84.5	170	-98.6	-56.1	0	0	0	115.8
701	Q	32.2	Very low	36.8	Very low	202 Å²	202	145.8 Å²	145.8	94%	0.944	73%	0.734	S	S	*	*				162.8	107.5	128.1	-89.6	177.5	49.5	0	0	111.5
702	G	26.6	Very low	38.6	Very low	80 Å²	80	137.3 Å²	137.3	83%	0.825	69%	0.694	S	S	*	*			trans	-170.8	122.9	172.9	0	0	0	0	0	109.7
703	L	31.5	Very low	39.8	Very low	160 Å²	160	135.4 Å²	135.4	84%	0.838	69%	0.689	S	S	*	*			trans	-91	135.4	-172.5	-73.1	166.4	0	0	0	111.9
704	Y	38.4	Very low	40.9	Very low	221 Å²	221	135.7 Å²	135.7	87%	0.867	69%	0.694	S	S	*	*			trans	41.1	75.3	158.1	-75.9	-87.8	0	0	0	117.5
705	L	30.1	Very low	42.4	Very low	166 Å²	166	131.6 Å²	131.6	87%	0.869	68%	0.677	S	S	*	*			trans	-116	146.5	143.4	-75.3	172.6	0	0	0	108.9	E707	L705-E707 PolarHBondContact O-N 3.31Å
706	A	41.1	Very low	43	Very low	102 Å²	102	129.2 Å²	129.2	84%	0.843	67%	0.667	S	S	*	*			trans	-71.1	102.4	-166.9	0	0	0	0	0	112.3	K708	A706-K708 PolarHBondContact O-N 3.24Å
707	E	35.7	Very low	43.9	Very low	158 Å²	158	127.6 Å²	127.6	74%	0.738	66%	0.66	S	S	*	*			trans	-56.7	119.7	173.5	-71.2	-166.8	136.5	0	0	111	L705 S709	L705-E707 PolarHBondContact O-N 3.31Å; E707-S709 PolarHBondContact O-N 3.45Å
708	K	46.1	Very low	44.6	Very low	191 Å²	191	124.7 Å²	124.7	83%	0.83	65%	0.652	S	S	*	*			trans	-69.6	95.7	173.3	-71	179.7	179.7	174.9	0	109	A706 Y710	A706-K708 PolarHBondContact O-N 3.24Å; K708-Y710 PolarHBondContact O-N 2.89Å
709	S	43.3	Very low	46.4	Very low	54 Å²	54	119.6 Å²	119.6	38%	0.378	62%	0.624	S	S	.	*			trans	-49	123.5	178	66.8	0	0	0	0	111.6	E707 K711	E707-S709 PolarHBondContact O-N 3.45Å; S709-K711 PolarHBondContact O-N 2.97Å; S709-K711 WeakPolarHBondContact OG-CE 3.48Å
710	Y	60.8	Low	47	Very low	107 Å²	107	117.9 Å²	117.9	42%	0.42	62%	0.621	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-71.4	104.1	175.5	-62.4	-84.6	0	0	0	109	K708 S718 F719 F725	K708-Y710 PolarHBondContact O-N 2.89Å; Y710-S718 CarbonylContact O-C 3.52Å; Y710-S718 WeakPolarHBondContact O-CA 3.12Å; Y710-F719 PolarHBondContact N-O 3.31Å; Y710-F719 PolarHBondContact O-N 3.32Å; Y710-F725 HydrophobicContact CD1-CD1 4.11Å; Y710-F725 HydrophobicContact CG-CB 4.28Å; Y710-F725 HydrophobicContact CG-CD1 4.27Å; Y710-F725 HydrophobicContact CG-CG 4.32Å
711	K	51.1	Low	48.2	Very low	119 Å²	119	115.2 Å²	115.2	52%	0.517	60%	0.603	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-94.6	135.7	-178.5	-68.1	175.4	-175.9	176.4	0	110	S709 K717 F725	S709-K711 PolarHBondContact O-N 2.97Å; S709-K711 WeakPolarHBondContact OG-CE 3.48Å; K711-K717 WeakPolarHBondContact CA-O 3.36Å; K711-F725 VanDerWaalsContact C-CE2 3.46Å; K711-F725 WeakPolarHBondContact O-CE2 3.43Å; K711-F725 WeakPolarHBondContact O-CZ 3.47Å
712	C	64	Low	49.2	Very low	1 Å²	1	108.3 Å²	108.3	1%	0.007	58%	0.578	C	S	.	*			trans	-89.7	107.4	172.4	178.6	0	0	0	0	110.3	T714 C715 M716 K717 F725 H732	C712-T714 PolarHBondContact O-N 2.79Å; C712-T714 VanDerWaalsContact O-N 3.11Å; C712-C715 CarbonylContact O-C 3.55Å; C712-C715 PolarHBondContact O-N 3.44Å; C712-M716 VanDerWaalsContact O-CA 3.29Å; C712-M716 WeakPolarHBondContact O-CA 3.37Å; C712-M716 PolarHBondContact O-N 3.17Å; C712-K717 PolarHBondContact N-O 3.45Å; C712-F725 HydrophobicContact CB-CE2 3.92Å; C712-H732 PolarHBondContact SG-CD2 2.94Å; C712-H732 PolarHBondContact SG-NE2 3.41Å
713	D	59.3	Low	50.6	Low	126 Å²	126	107.7 Å²	107.7	67%	0.674	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.1	-28.2	-176.7	-48.7	-66.8	0	0	0	112.6	C715	D713-C715 PolarHBondContact O-N 2.78Å
714	T	56.5	Low	52	Low	105 Å²	105	105.1 Å²	105.1	64%	0.644	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-24	176.5	-34.8	0	0	0	0	114.2	C712 H732	C712-T714 PolarHBondContact O-N 2.79Å; C712-T714 VanDerWaalsContact O-N 3.11Å; T714-H732 HydrophobicContact CG2-CB 4.34Å
715	C	67.1	Low	53.2	Low	50 Å²	50	95.9 Å²	95.9	34%	0.338	51%	0.508	S	S	.	.	T	Hydrogen-bonded Turn	trans	-152.5	17.6	-179.6	79.4	0	0	0	0	116.2	C712 D713 K717 H728	C712-C715 CarbonylContact O-C 3.55Å; C712-C715 PolarHBondContact O-N 3.44Å; D713-C715 PolarHBondContact O-N 2.78Å; C715-K717 PolarHBondContact O-N 2.8Å; C715-H728 PolarHBondContact SG-NE2 3.43Å
716	M	48.3	Very low	54.9	Low	139 Å²	139	91.5 Å²	91.5	69%	0.685	49%	0.485	S	S	*	.			trans	52.9	16.8	178.1	-63.5	-65.1	171.1	0	0	117	C712	C712-M716 VanDerWaalsContact O-CA 3.29Å; C712-M716 WeakPolarHBondContact O-CA 3.37Å; C712-M716 PolarHBondContact O-N 3.17Å
717	K	55.9	Low	55.8	Low	104 Å²	104	88.1 Å²	88.1	45%	0.452	46%	0.457	S	S	.	.			trans	-76.5	126.7	176.3	-72.3	-178.8	-178.8	178.4	0	110.5	K711 C712 C715 F719	K711-K717 WeakPolarHBondContact CA-O 3.36Å; C712-K717 PolarHBondContact N-O 3.45Å; C715-K717 PolarHBondContact O-N 2.8Å; K717-F719 HydrophobicContact CB-CE2 3.68Å; K717-F719 HydrophobicContact CB-CZ 3.98Å; K717-F719 WeakPolarHBondContact O-CE2 3.3Å
718	S	50.2	Low	57.3	Low	79 Å²	79	81.4 Å²	81.4	55%	0.552	43%	0.426	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.8	143.2	174.4	44.4	0	0	0	0	111.9	Y710	Y710-S718 CarbonylContact O-C 3.52Å; Y710-S718 WeakPolarHBondContact O-CA 3.12Å
719	F	69.9	Low	57.8	Low	47 Å²	47	75.5 Å²	75.5	21%	0.206	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	142.2	176.3	-59.4	-94.7	0	0	0	109.7	Y710 K717 H724 F725 H728	Y710-F719 PolarHBondContact N-O 3.31Å; Y710-F719 PolarHBondContact O-N 3.32Å; K717-F719 HydrophobicContact CB-CE2 3.68Å; K717-F719 HydrophobicContact CB-CZ 3.98Å; K717-F719 WeakPolarHBondContact O-CE2 3.3Å; F719-H724 HydrophobicContact CD1-CB 3.95Å; F719-F725 HydrophobicContact CB-CB 4.11Å; F719-F725 HydrophobicContact CD2-CB 4.26Å; F719-F725 AromaticContact CD2-CD2 3.95Å; F719-F725 HydrophobicContact CD2-CD2 3.95Å; F719-F725 HydrophobicContact CE2-CD2 4.49Å; F719-F725 HydrophobicContact CG-CB 4.3Å; F719-H728 HydrophobicContact CE1-CB 4Å; F719-H728 HydrophobicContact CE2-CB 3.89Å; F719-H728 AromaticContact CE2-CD2 3.27Å; F719-H728 WeakPolarHBondContact CE2-CD2 3.41Å; F719-H728 AromaticContact CE2-CG 3.59Å; F719-H728 HydrophobicContact CZ-CB 3.49Å; F719-H728 VanDerWaalsContact CZ-CB 3.49Å; F719-H728 AromaticContact CZ-CD2 3.46Å; F719-H728 VanDerWaalsContact CZ-CD2 3.46Å; F719-H728 WeakPolarHBondContact CZ-CD2 3.29Å; F719-H728 AromaticContact CZ-CG 3.27Å; F719-H728 AromaticContact CZ-ND1 3.88Å
720	S	44.4	Very low	59	Low	80 Å²	80	75.6 Å²	75.6	56%	0.559	39%	0.393	S	S	*	.	S	Bend	trans	-80.6	-19.7	174.4	49.9	0	0	0	0	113.5
721	R	60.7	Low	58.9	Low	128 Å²	128	76 Å²	76	48%	0.483	40%	0.401	S	S	.	.	S	Bend	trans	-121	132.5	177.9	-53.7	-168.1	93.3	167.6	12.3	111.3	D699 S723 H724 F725	D699-R721 IonicContact OD2-NH2 3.68Å; D699-R721 PolarHBondContact OD2-NH2 2.95Å; R721-S723 VanDerWaalsContact C-N 3.26Å; R721-S723 PolarHBondContact O-N 3.33Å; R721-H724 PolarHBondContact O-N 3.11Å; R721-H724 VanDerWaalsContact O-N 3.16Å; R721-F725 PolarHBondContact O-N 3.21Å; R721-F725 VanDerWaalsContact O-N 3.08Å
722	S	52.7	Low	59.3	Low	58 Å²	58	74.2 Å²	74.2	41%	0.406	39%	0.394	S	S	.	.	H	α-helix	trans	-56.8	-36.6	176	55.1	0	0	0	0	112.7	H724 F725 I726	S722-H724 PolarHBondContact O-N 3.37Å; S722-F725 WeakPolarHBondContact O-CB 3.38Å; S722-F725 PolarHBondContact O-N 2.81Å; S722-I726 WeakPolarHBondContact O-CB 3.28Å; S722-I726 VanDerWaalsContact O-CG1 3.26Å; S722-I726 WeakPolarHBondContact O-CG1 3.33Å; S722-I726 PolarHBondContact O-N 3.36Å
723	S	54.8	Low	59	Low	66 Å²	66	78.2 Å²	78.2	46%	0.462	42%	0.419	S	S	.	.	H	α-helix	trans	-60.5	-42.7	176	56.2	0	0	0	0	113	R721 A727	R721-S723 VanDerWaalsContact C-N 3.26Å; R721-S723 PolarHBondContact O-N 3.33Å; S723-A727 WeakPolarHBondContact O-CB 3.46Å; S723-A727 PolarHBondContact O-N 3.49Å
724	H	61.6	Low	58.9	Low	107 Å²	107	74.4 Å²	74.4	50%	0.495	41%	0.409	S	S	.	.	H	α-helix	trans	-70.9	-34.9	175.4	-65.7	176.6	0	0	0	111.7	F719 R721 S722 H728	F719-H724 HydrophobicContact CD1-CB 3.95Å; R721-H724 PolarHBondContact O-N 3.11Å; R721-H724 VanDerWaalsContact O-N 3.16Å; S722-H724 PolarHBondContact O-N 3.37Å; H724-H728 VanDerWaalsContact O-CB 3.27Å; H724-H728 WeakPolarHBondContact O-CB 3.44Å; H724-H728 PolarHBondContact O-N 3.47Å
725	F	64.2	Low	58.9	Low	26 Å²	26	74.1 Å²	74.1	11%	0.114	40%	0.401	C	S	.	.	H	α-helix	trans	-63.2	-49.4	173.7	174.8	-119.9	0	0	0	112.4	Y710 K711 C712 F719 R721 S722 H728 Q729	Y710-F725 HydrophobicContact CD1-CD1 4.11Å; Y710-F725 HydrophobicContact CG-CB 4.28Å; Y710-F725 HydrophobicContact CG-CD1 4.27Å; Y710-F725 HydrophobicContact CG-CG 4.32Å; K711-F725 VanDerWaalsContact C-CE2 3.46Å; K711-F725 WeakPolarHBondContact O-CE2 3.43Å; K711-F725 WeakPolarHBondContact O-CZ 3.47Å; C712-F725 HydrophobicContact CB-CE2 3.92Å; F719-F725 HydrophobicContact CB-CB 4.11Å; F719-F725 HydrophobicContact CD2-CB 4.26Å; F719-F725 AromaticContact CD2-CD2 3.95Å; F719-F725 HydrophobicContact CD2-CD2 3.95Å; F719-F725 HydrophobicContact CE2-CD2 4.49Å; F719-F725 HydrophobicContact CG-CB 4.3Å; R721-F725 PolarHBondContact O-N 3.21Å; R721-F725 VanDerWaalsContact O-N 3.08Å; S722-F725 WeakPolarHBondContact O-CB 3.38Å; S722-F725 PolarHBondContact O-N 2.81Å; F725-H728 CarbonylContact O-C 3.52Å; F725-H728 WeakPolarHBondContact O-CA 3.47Å; F725-H728 WeakPolarHBondContact O-CB 3.36Å; F725-H728 PolarHBondContact O-N 3.11Å; F725-H728 VanDerWaalsContact O-N 3.09Å; F725-Q729 HydrophobicContact CD2-CG 4.34Å; F725-Q729 VanDerWaalsContact CE1-CD 3.5Å; F725-Q729 HydrophobicContact CE1-CG 4.39Å; F725-Q729 VanDerWaalsContact CE1-OE1 3.32Å; F725-Q729 HydrophobicContact CE2-CG 3.97Å; F725-Q729 VanDerWaalsContact CZ-CD 3.42Å; F725-Q729 HydrophobicContact CZ-CG 4.02Å; F725-Q729 VanDerWaalsContact CZ-NE2 3.31Å; F725-Q729 PolarHBondContact O-N 3.37Å
726	I	64.9	Low	58.8	Low	75 Å²	75	77.7 Å²	77.7	39%	0.385	41%	0.411	S	S	.	.	H	α-helix	trans	-61.2	-46	176.1	-67	-77.3	0	0	0	110.6	S722 H728 Q729 R730	S722-I726 WeakPolarHBondContact O-CB 3.28Å; S722-I726 VanDerWaalsContact O-CG1 3.26Å; S722-I726 WeakPolarHBondContact O-CG1 3.33Å; S722-I726 PolarHBondContact O-N 3.36Å; I726-H728 PolarHBondContact O-N 2.99Å; I726-Q729 PolarHBondContact O-N 3.14Å; I726-R730 WeakPolarHBondContact O-CG 3.47Å; I726-R730 PolarHBondContact O-N 2.71Å; I726-R730 VanDerWaalsContact O-N 3.08Å
727	A	60.8	Low	59.8	Low	30 Å²	30	74.3 Å²	74.3	25%	0.248	40%	0.399	C	S	.	.	H	α-helix	trans	-62.2	-28.3	175.6	0	0	0	0	0	112.9	S723	S723-A727 WeakPolarHBondContact O-CB 3.46Å; S723-A727 PolarHBondContact O-N 3.49Å
728	H	66.3	Low	60.5	Low	18 Å²	18	72.8 Å²	72.8	8%	0.083	39%	0.391	C	S	.	.	H	α-helix	trans	-78.6	-39.8	172.3	172.3	62.1	0	0	0	113	C715 F719 H724 F725 I726 R730 I731 H732	C715-H728 PolarHBondContact SG-NE2 3.43Å; F719-H728 HydrophobicContact CE1-CB 4Å; F719-H728 HydrophobicContact CE2-CB 3.89Å; F719-H728 AromaticContact CE2-CD2 3.27Å; F719-H728 WeakPolarHBondContact CE2-CD2 3.41Å; F719-H728 AromaticContact CE2-CG 3.59Å; F719-H728 HydrophobicContact CZ-CB 3.49Å; F719-H728 VanDerWaalsContact CZ-CB 3.49Å; F719-H728 AromaticContact CZ-CD2 3.46Å; F719-H728 VanDerWaalsContact CZ-CD2 3.46Å; F719-H728 WeakPolarHBondContact CZ-CD2 3.29Å; F719-H728 AromaticContact CZ-CG 3.27Å; F719-H728 AromaticContact CZ-ND1 3.88Å; H724-H728 VanDerWaalsContact O-CB 3.27Å; H724-H728 WeakPolarHBondContact O-CB 3.44Å; H724-H728 PolarHBondContact O-N 3.47Å; F725-H728 CarbonylContact O-C 3.52Å; F725-H728 WeakPolarHBondContact O-CA 3.47Å; F725-H728 WeakPolarHBondContact O-CB 3.36Å; F725-H728 PolarHBondContact O-N 3.11Å; F725-H728 VanDerWaalsContact O-N 3.09Å; I726-H728 PolarHBondContact O-N 2.99Å; H728-R730 PolarHBondContact O-N 3.4Å; H728-I731 WeakPolarHBondContact O-CB 3.34Å; H728-I731 WeakPolarHBondContact O-CG1 3.26Å; H728-I731 PolarHBondContact O-N 3.24Å; H728-H732 AromaticContact CE1-NE2 3.36Å; H728-H732 PolarHBondContact CE1-NE2 2.95Å; H728-H732 AromaticContact NE2-NE2 3.15Å; H728-H732 PolarHBondContact NE2-NE2 3.41Å; H728-H732 VanDerWaalsContact NE2-NE2 3.15Å
729	Q	57.8	Low	61.3	Low	66 Å²	66	74.8 Å²	74.8	31%	0.308	39%	0.39	S	S	.	.	H	α-helix	trans	-59.3	-35.8	174.5	-75.3	178.4	-57	0	0	111.8	F725 I726 I731 H732 T733	F725-Q729 HydrophobicContact CD2-CG 4.34Å; F725-Q729 VanDerWaalsContact CE1-CD 3.5Å; F725-Q729 HydrophobicContact CE1-CG 4.39Å; F725-Q729 VanDerWaalsContact CE1-OE1 3.32Å; F725-Q729 HydrophobicContact CE2-CG 3.97Å; F725-Q729 VanDerWaalsContact CZ-CD 3.42Å; F725-Q729 HydrophobicContact CZ-CG 4.02Å; F725-Q729 VanDerWaalsContact CZ-NE2 3.31Å; F725-Q729 PolarHBondContact O-N 3.37Å; I726-Q729 PolarHBondContact O-N 3.14Å; Q729-I731 PolarHBondContact O-N 3.15Å; Q729-I731 VanDerWaalsContact O-N 3.1Å; Q729-H732 WeakPolarHBondContact O-CA 3.46Å; Q729-H732 WeakPolarHBondContact O-CB 3.49Å; Q729-H732 PolarHBondContact O-N 2.83Å; Q729-T733 PolarHBondContact O-N 2.94Å
730	R	68.4	Low	61.6	Low	56 Å²	56	72.6 Å²	72.6	21%	0.211	38%	0.38	C	S	.	.	H	α-helix	trans	-60.6	-15.4	171.7	-68.6	176	-175.8	162	4	114.7	I726 H728 G734 E735 Y738	I726-R730 WeakPolarHBondContact O-CG 3.47Å; I726-R730 PolarHBondContact O-N 2.71Å; I726-R730 VanDerWaalsContact O-N 3.08Å; H728-R730 PolarHBondContact O-N 3.4Å; R730-G734 CarbonylContact O-C 3.58Å; R730-G734 WeakPolarHBondContact O-CA 3.4Å; R730-G734 PolarHBondContact O-N 3.06Å; R730-E735 HydrophobicContact CB-CB 4.37Å; R730-E735 HydrophobicContact CG-CB 4.14Å; R730-E735 PolarHBondContact O-N 3.48Å; R730-Y738 PolarHBondContact NH1-OH 3.32Å
731	I	58	Low	62.9	Low	117 Å²	117	76 Å²	76	60%	0.6	39%	0.391	S	S	*	.	H	α-helix	trans	-74	-31.8	170.9	-53.8	178	0	0	0	110.6	H728 Q729	H728-I731 WeakPolarHBondContact O-CB 3.34Å; H728-I731 WeakPolarHBondContact O-CG1 3.26Å; H728-I731 PolarHBondContact O-N 3.24Å; Q729-I731 PolarHBondContact O-N 3.15Å; Q729-I731 VanDerWaalsContact O-N 3.1Å
732	H	59.5	Low	63.1	Low	80 Å²	80	75.4 Å²	75.4	37%	0.37	39%	0.394	S	S	.	.	H	α-helix	trans	-86.1	-37.5	177.8	-53.7	-65	0	0	0	112.4	C712 T714 H728 Q729 G734	C712-H732 PolarHBondContact SG-CD2 2.94Å; C712-H732 PolarHBondContact SG-NE2 3.41Å; T714-H732 HydrophobicContact CG2-CB 4.34Å; H728-H732 AromaticContact CE1-NE2 3.36Å; H728-H732 PolarHBondContact CE1-NE2 2.95Å; H728-H732 AromaticContact NE2-NE2 3.15Å; H728-H732 PolarHBondContact NE2-NE2 3.41Å; H728-H732 VanDerWaalsContact NE2-NE2 3.15Å; Q729-H732 WeakPolarHBondContact O-CA 3.46Å; Q729-H732 WeakPolarHBondContact O-CB 3.49Å; Q729-H732 PolarHBondContact O-N 2.83Å; H732-G734 VanDerWaalsContact C-N 3.33Å
733	T	58.4	Low	63.9	Low	85 Å²	85	75 Å²	75	52%	0.521	39%	0.391	S	S	.	.	H	α-helix	trans	-79	-15.4	174	70.2	0	0	0	0	113.4	Q729 E735	Q729-T733 PolarHBondContact O-N 2.94Å; T733-E735 WeakPolarHBondContact CB-OE1 3.48Å; T733-E735 PolarHBondContact O-N 3.03Å; T733-E735 VanDerWaalsContact OG1-CD 3.25Å; T733-E735 WeakPolarHBondContact OG1-CG 3.46Å; T733-E735 PolarHBondContact OG1-OE1 3.27Å
734	G	55.3	Low	64.5	Low	46 Å²	46	73.8 Å²	73.8	47%	0.474	39%	0.388	S	S	.	.			trans	77.4	-0.5	179.1	0	0	0	0	0	115	R730 H732	R730-G734 CarbonylContact O-C 3.58Å; R730-G734 WeakPolarHBondContact O-CA 3.4Å; R730-G734 PolarHBondContact O-N 3.06Å; H732-G734 VanDerWaalsContact C-N 3.33Å
735	E	58.1	Low	64.7	Low	99 Å²	99	74.1 Å²	74.1	46%	0.463	39%	0.388	S	S	.	.			trans	-59.9	136.5	-178.3	-76.5	165.2	-137.3	0	0	113.5	R730 T733	R730-E735 HydrophobicContact CB-CB 4.37Å; R730-E735 HydrophobicContact CG-CB 4.14Å; R730-E735 PolarHBondContact O-N 3.48Å; T733-E735 WeakPolarHBondContact CB-OE1 3.48Å; T733-E735 PolarHBondContact O-N 3.03Å; T733-E735 VanDerWaalsContact OG1-CD 3.25Å; T733-E735 WeakPolarHBondContact OG1-CG 3.46Å; T733-E735 PolarHBondContact OG1-OE1 3.27Å
736	K	64.3	Low	64.9	Low	125 Å²	125	76.8 Å²	76.8	54%	0.543	40%	0.404	S	S	.	.			trans	-135.2	75.4	178.1	-67.6	170.7	-175.8	173	0	110.5	Y738 N746 F747	K736-Y738 PolarHBondContact O-N 2.68Å; K736-N746 HydrophobicContact CB-CB 3.59Å; K736-N746 HydrophobicContact CD-CB 4.3Å; K736-F747 CarbonylContact C-O 3.47Å; K736-F747 VanDerWaalsContact CA-O 3.26Å; K736-F747 WeakPolarHBondContact CA-O 3.35Å
737	P	68.8	Low	65.3	Low	69 Å²	69	75.3 Å²	75.3	45%	0.448	40%	0.395	S	S	.	.			trans	-65.2	-24.2	-171.3	-22.4	34.9	0	0	0	114.2	K739	P737-K739 PolarHBondContact O-N 2.93Å
738	Y	71.9	Confident	65.7	Low	72 Å²	72	75.7 Å²	75.7	28%	0.282	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	93.6	-169.8	-52.6	-72.9	0	0	0	110.7	R730 K736 F747 S748 R750	R730-Y738 PolarHBondContact NH1-OH 3.32Å; K736-Y738 PolarHBondContact O-N 2.68Å; Y738-F747 PolarHBondContact N-O 2.71Å; Y738-F747 VanDerWaalsContact N-O 3.1Å; Y738-F747 PolarHBondContact O-N 3.14Å; Y738-S748 WeakPolarHBondContact CE2-O 3.27Å; Y738-R750 HydrophobicContact CD1-CB 4.02Å; Y738-R750 HydrophobicContact CD1-CG 4.39Å; Y738-R750 HydrophobicContact CE1-CB 4.04Å; Y738-R750 HydrophobicContact CG-CB 4.27Å
739	K	65.3	Low	65.8	Low	121 Å²	121	76.8 Å²	76.8	53%	0.526	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	129.2	177	179.4	175	178.4	-171	0	111.7	P737 L741 N746	P737-K739 PolarHBondContact O-N 2.93Å; K739-L741 PolarHBondContact O-N 2.79Å; K739-N746 WeakPolarHBondContact CB-OD1 3.45Å; K739-N746 VanDerWaalsContact CG-OD1 3.3Å; K739-N746 WeakPolarHBondContact CG-OD1 3.22Å
740	C	77.2	Confident	66.4	Low	0 Å²	0	81.5 Å²	81.5	0%	0	42%	0.417	C	S	.	.			trans	-73.4	117.5	166.1	-170	0	0	0	0	109.6	G744 K745 F747 L753 H760	C740-G744 VanDerWaalsContact O-CA 3.27Å; C740-G744 WeakPolarHBondContact O-CA 3.48Å; C740-G744 PolarHBondContact O-N 2.95Å; C740-K745 WeakPolarHBondContact CB-O 3.32Å; C740-K745 PolarHBondContact N-O 3.32Å; C740-F747 HydrophobicContact CB-CE2 4.27Å; C740-L753 HydrophobicContact CB-CD1 3.54Å; C740-H760 PolarHBondContact SG-NE2 3.43Å
741	L	72.1	Confident	66.4	Low	152 Å²	152	82.3 Å²	82.3	80%	0.796	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-41.7	-177.4	-58.3	179.9	0	0	0	111.8	K739 C743	K739-L741 PolarHBondContact O-N 2.79Å; L741-C743 PolarHBondContact O-N 2.93Å
742	E	65.5	Low	67.1	Low	116 Å²	116	80.7 Å²	80.7	54%	0.542	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-24.1	-175.8	-62.5	163.2	108.3	0	0	115.1	H760	E742-H760 WeakPolarHBondContact OE1-CB 3.2Å; E742-H760 IonicContact OE2-CD2 3.18Å; E742-H760 PolarHBondContact OE2-CD2 2.98Å; E742-H760 IonicContact OE2-CG 3.45Å
743	C	68.3	Low	67.8	Low	49 Å²	49	77.6 Å²	77.6	33%	0.331	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-145.5	17.8	-179	88.5	0	0	0	0	115.4	L741 K745 H756 H760	L741-C743 PolarHBondContact O-N 2.93Å; C743-K745 PolarHBondContact O-N 2.83Å; C743-K745 VanDerWaalsContact SG-CD 3.57Å; C743-H756 PolarHBondContact SG-NE2 2.83Å; C743-H760 VanDerWaalsContact SG-CE1 3.59Å
744	G	67.9	Low	68.5	Low	40 Å²	40	77.2 Å²	77.2	41%	0.412	41%	0.405	S	S	.	.			trans	64.8	7.1	171.9	0	0	0	0	0	117.4	C740 N746	C740-G744 VanDerWaalsContact O-CA 3.27Å; C740-G744 WeakPolarHBondContact O-CA 3.48Å; C740-G744 PolarHBondContact O-N 2.95Å; G744-N746 PolarHBondContact O-OD1 3.05Å
745	K	65.4	Low	69.2	Low	114 Å²	114	77.2 Å²	77.2	50%	0.496	40%	0.396	S	S	.	.			trans	-79.8	132.6	-177.3	-72.2	173.7	-168.2	142.6	0	111.2	C740 C743 F747	C740-K745 WeakPolarHBondContact CB-O 3.32Å; C740-K745 PolarHBondContact N-O 3.32Å; C743-K745 PolarHBondContact O-N 2.83Å; C743-K745 VanDerWaalsContact SG-CD 3.57Å; K745-F747 HydrophobicContact CB-CE2 3.66Å; K745-F747 HydrophobicContact CB-CZ 3.93Å; K745-F747 WeakPolarHBondContact O-CD2 3.32Å; K745-F747 VanDerWaalsContact O-CE2 3.26Å; K745-F747 WeakPolarHBondContact O-CE2 3.27Å
746	N	67.9	Low	70	Confident	82 Å²	82	73.2 Å²	73.2	44%	0.439	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	138.9	-177.5	-56.6	-27	0	0	0	111.2	K736 K739 G744	K736-N746 HydrophobicContact CB-CB 3.59Å; K736-N746 HydrophobicContact CD-CB 4.3Å; K739-N746 WeakPolarHBondContact CB-OD1 3.45Å; K739-N746 VanDerWaalsContact CG-OD1 3.3Å; K739-N746 WeakPolarHBondContact CG-OD1 3.22Å; G744-N746 PolarHBondContact O-OD1 3.05Å
747	F	75.2	Confident	70.3	Confident	44 Å²	44	70.2 Å²	70.2	19%	0.193	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	149	-178.1	-59.9	-92.2	0	0	0	111	K736 Y738 C740 K745 N752 L753 H756	K736-F747 CarbonylContact C-O 3.47Å; K736-F747 VanDerWaalsContact CA-O 3.26Å; K736-F747 WeakPolarHBondContact CA-O 3.35Å; Y738-F747 PolarHBondContact N-O 2.71Å; Y738-F747 VanDerWaalsContact N-O 3.1Å; Y738-F747 PolarHBondContact O-N 3.14Å; C740-F747 HydrophobicContact CB-CE2 4.27Å; K745-F747 HydrophobicContact CB-CE2 3.66Å; K745-F747 HydrophobicContact CB-CZ 3.93Å; K745-F747 WeakPolarHBondContact O-CD2 3.32Å; K745-F747 VanDerWaalsContact O-CE2 3.26Å; K745-F747 WeakPolarHBondContact O-CE2 3.27Å; F747-N752 HydrophobicContact CB-CB 4.4Å; F747-N752 HydrophobicContact CD1-CB 4.07Å; F747-L753 HydrophobicContact CB-CB 4.34Å; F747-L753 HydrophobicContact CD2-CB 4.14Å; F747-L753 HydrophobicContact CD2-CD1 3.91Å; F747-L753 HydrophobicContact CE2-CD1 4.14Å; F747-L753 HydrophobicContact CG-CB 4.37Å; F747-H756 HydrophobicContact CE1-CB 4Å; F747-H756 HydrophobicContact CE2-CB 4.09Å; F747-H756 AromaticContact CE2-CD2 3.25Å; F747-H756 WeakPolarHBondContact CE2-CD2 3.48Å; F747-H756 AromaticContact CE2-CG 3.8Å; F747-H756 HydrophobicContact CZ-CB 3.6Å; F747-H756 AromaticContact CZ-CD2 3.23Å; F747-H756 WeakPolarHBondContact CZ-CD2 3.39Å; F747-H756 AromaticContact CZ-CG 3.33Å; F747-H756 AromaticContact CZ-NE2 3.99Å
748	S	67.8	Low	70.7	Confident	38 Å²	38	69.7 Å²	69.7	27%	0.266	35%	0.354	S	S	.	.	S	Bend	trans	-79.9	-17.1	179.1	47.7	0	0	0	0	113.9	Y738	Y738-S748 WeakPolarHBondContact CE2-O 3.27Å
749	D	68.9	Low	70.3	Confident	42 Å²	42	71.9 Å²	71.9	23%	0.225	37%	0.369	C	S	.	.	S	Bend	trans	-139	146.1	179.2	148.5	61.1	0	0	0	111	S751 N752 L753	D749-S751 VanDerWaalsContact C-N 3.34Å; D749-S751 VanDerWaalsContact CG-N 3.28Å; D749-S751 PolarHBondContact OD1-N 2.86Å; D749-S751 PolarHBondContact OD1-OG 3.22Å; D749-S751 WeakPolarHBondContact OD2-CA 3.47Å; D749-S751 WeakPolarHBondContact OD2-CB 3.34Å; D749-S751 PolarHBondContact OD2-N 3.27Å; D749-S751 PolarHBondContact OD2-OG 2.91Å; D749-N752 PolarHBondContact O-N 3.44Å; D749-N752 PolarHBondContact OD2-N 3.13Å; D749-N752 PolarHBondContact OD2-ND2 2.83Å; D749-L753 PolarHBondContact O-N 3.23Å
750	R	69.7	Low	70.7	Confident	164 Å²	164	69.4 Å²	69.4	62%	0.619	36%	0.36	S	S	*	.	H	α-helix	trans	-68.3	-30.2	-179.5	-169.1	172.6	-176.3	164.9	-0.3	112.3	Y738 N752 L753 N754	Y738-R750 HydrophobicContact CD1-CB 4.02Å; Y738-R750 HydrophobicContact CD1-CG 4.39Å; Y738-R750 HydrophobicContact CE1-CB 4.04Å; Y738-R750 HydrophobicContact CG-CB 4.27Å; R750-N752 VanDerWaalsContact C-N 3.34Å; R750-N752 PolarHBondContact O-N 3.36Å; R750-L753 PolarHBondContact O-N 2.91Å; R750-N754 VanDerWaalsContact O-CG 3.28Å; R750-N754 PolarHBondContact O-N 3.3Å; R750-N754 PolarHBondContact O-OD1 3.2Å; R750-N754 VanDerWaalsContact O-OD1 3.13Å
751	S	68.7	Low	70.2	Confident	73 Å²	73	73.1 Å²	73.1	51%	0.51	38%	0.382	S	S	.	.	H	α-helix	trans	-65.9	-38.3	176.3	-34.6	0	0	0	0	111.7	D749 T755	D749-S751 VanDerWaalsContact C-N 3.34Å; D749-S751 VanDerWaalsContact CG-N 3.28Å; D749-S751 PolarHBondContact OD1-N 2.86Å; D749-S751 PolarHBondContact OD1-OG 3.22Å; D749-S751 WeakPolarHBondContact OD2-CA 3.47Å; D749-S751 WeakPolarHBondContact OD2-CB 3.34Å; D749-S751 PolarHBondContact OD2-N 3.27Å; D749-S751 PolarHBondContact OD2-OG 2.91Å; S751-T755 WeakPolarHBondContact O-CB 3.43Å; S751-T755 WeakPolarHBondContact O-CG2 3.46Å; S751-T755 PolarHBondContact O-N 3.07Å; S751-T755 PolarHBondContact O-OG1 2.98Å
752	N	72.1	Confident	69.9	Low	84 Å²	84	67.8 Å²	67.8	45%	0.449	36%	0.364	S	S	.	.	H	α-helix	trans	-69.3	-33.3	171.8	-74	-71.7	0	0	0	112.9	F747 D749 R750 T755 H756	F747-N752 HydrophobicContact CB-CB 4.4Å; F747-N752 HydrophobicContact CD1-CB 4.07Å; D749-N752 PolarHBondContact O-N 3.44Å; D749-N752 PolarHBondContact OD2-N 3.13Å; D749-N752 PolarHBondContact OD2-ND2 2.83Å; R750-N752 VanDerWaalsContact C-N 3.34Å; R750-N752 PolarHBondContact O-N 3.36Å; N752-T755 WeakPolarHBondContact CA-OG1 3.4Å; N752-T755 PolarHBondContact O-OG1 2.91Å; N752-H756 VanDerWaalsContact O-CB 3.28Å; N752-H756 WeakPolarHBondContact O-CB 3.37Å; N752-H756 PolarHBondContact O-N 3.27Å; N752-H756 VanDerWaalsContact O-N 3.14Å
753	L	75.4	Confident	70.1	Confident	15 Å²	15	66.8 Å²	66.8	8%	0.079	36%	0.36	C	S	.	.	H	α-helix	trans	-66.7	-50.3	170.1	173.7	58.5	0	0	0	111.4	C740 F747 D749 R750 T755 H756 Q757	C740-L753 HydrophobicContact CB-CD1 3.54Å; F747-L753 HydrophobicContact CB-CB 4.34Å; F747-L753 HydrophobicContact CD2-CB 4.14Å; F747-L753 HydrophobicContact CD2-CD1 3.91Å; F747-L753 HydrophobicContact CE2-CD1 4.14Å; F747-L753 HydrophobicContact CG-CB 4.37Å; D749-L753 PolarHBondContact O-N 3.23Å; R750-L753 PolarHBondContact O-N 2.91Å; L753-T755 VanDerWaalsContact C-N 3.34Å; L753-T755 PolarHBondContact O-N 2.85Å; L753-H756 CarbonylContact O-C 3.53Å; L753-H756 WeakPolarHBondContact O-CA 3.43Å; L753-H756 WeakPolarHBondContact O-CB 3.49Å; L753-H756 PolarHBondContact O-N 2.86Å; L753-Q757 HydrophobicContact CD1-CG 3.94Å; L753-Q757 HydrophobicContact CG-CG 4.38Å; L753-Q757 WeakPolarHBondContact O-CG 3.43Å; L753-Q757 PolarHBondContact O-N 3.38Å
754	N	73.8	Confident	70.4	Confident	76 Å²	76	70 Å²	70	41%	0.406	37%	0.368	S	S	.	.	H	α-helix	trans	-60.6	-41.9	-178.3	-69.2	11	0	0	0	111.7	R750 H756 Q757 R758	R750-N754 VanDerWaalsContact O-CG 3.28Å; R750-N754 PolarHBondContact O-N 3.3Å; R750-N754 PolarHBondContact O-OD1 3.2Å; R750-N754 VanDerWaalsContact O-OD1 3.13Å; N754-H756 VanDerWaalsContact C-N 3.29Å; N754-H756 PolarHBondContact O-N 3.31Å; N754-Q757 PolarHBondContact O-N 3.11Å; N754-R758 PolarHBondContact O-N 3.38Å
755	T	69.6	Low	70.7	Confident	46 Å²	46	71 Å²	71	28%	0.282	37%	0.367	S	S	.	.	H	α-helix	trans	-70.3	-24.6	175.5	49.5	0	0	0	0	113	S751 N752 L753 D777	S751-T755 WeakPolarHBondContact O-CB 3.43Å; S751-T755 WeakPolarHBondContact O-CG2 3.46Å; S751-T755 PolarHBondContact O-N 3.07Å; S751-T755 PolarHBondContact O-OG1 2.98Å; N752-T755 WeakPolarHBondContact CA-OG1 3.4Å; N752-T755 PolarHBondContact O-OG1 2.91Å; L753-T755 VanDerWaalsContact C-N 3.34Å; L753-T755 PolarHBondContact O-N 2.85Å; T755-D777 HydrophobicContact CG2-CB 4.46Å
756	H	74.4	Confident	71.4	Confident	16 Å²	16	69.3 Å²	69.3	7%	0.074	36%	0.358	C	S	.	.	H	α-helix	trans	-74.8	-41.4	169.7	171.9	47.2	0	0	0	113.1	C743 F747 N752 L753 N754 R758 I759 H760	C743-H756 PolarHBondContact SG-NE2 2.83Å; F747-H756 HydrophobicContact CE1-CB 4Å; F747-H756 HydrophobicContact CE2-CB 4.09Å; F747-H756 AromaticContact CE2-CD2 3.25Å; F747-H756 WeakPolarHBondContact CE2-CD2 3.48Å; F747-H756 AromaticContact CE2-CG 3.8Å; F747-H756 HydrophobicContact CZ-CB 3.6Å; F747-H756 AromaticContact CZ-CD2 3.23Å; F747-H756 WeakPolarHBondContact CZ-CD2 3.39Å; F747-H756 AromaticContact CZ-CG 3.33Å; F747-H756 AromaticContact CZ-NE2 3.99Å; N752-H756 VanDerWaalsContact O-CB 3.28Å; N752-H756 WeakPolarHBondContact O-CB 3.37Å; N752-H756 PolarHBondContact O-N 3.27Å; N752-H756 VanDerWaalsContact O-N 3.14Å; L753-H756 CarbonylContact O-C 3.53Å; L753-H756 WeakPolarHBondContact O-CA 3.43Å; L753-H756 WeakPolarHBondContact O-CB 3.49Å; L753-H756 PolarHBondContact O-N 2.86Å; N754-H756 VanDerWaalsContact C-N 3.29Å; N754-H756 PolarHBondContact O-N 3.31Å; H756-R758 PolarHBondContact O-N 3.32Å; H756-I759 WeakPolarHBondContact O-CB 3.47Å; H756-I759 VanDerWaalsContact O-CG1 3.29Å; H756-I759 WeakPolarHBondContact O-CG1 3.22Å; H756-I759 PolarHBondContact O-N 3.18Å; H756-H760 AromaticContact CE1-CE1 3.75Å; H756-H760 AromaticContact CE1-NE2 3.45Å; H756-H760 PolarHBondContact CE1-NE2 3.24Å; H756-H760 AromaticContact NE2-CE1 3.96Å; H756-H760 AromaticContact NE2-NE2 3.3Å; H756-H760 PolarHBondContact NE2-NE2 3.13Å
757	Q	69.7	Low	71.6	Confident	61 Å²	61	71.8 Å²	71.8	29%	0.285	37%	0.365	S	S	.	.	H	α-helix	trans	-60.5	-31.3	178.3	-72.9	170.4	-63.6	0	0	112.2	L753 N754 I759 H760 T761	L753-Q757 HydrophobicContact CD1-CG 3.94Å; L753-Q757 HydrophobicContact CG-CG 4.38Å; L753-Q757 WeakPolarHBondContact O-CG 3.43Å; L753-Q757 PolarHBondContact O-N 3.38Å; N754-Q757 PolarHBondContact O-N 3.11Å; Q757-I759 PolarHBondContact O-N 2.94Å; Q757-H760 WeakPolarHBondContact O-CA 3.33Å; Q757-H760 WeakPolarHBondContact O-CB 3.26Å; Q757-H760 PolarHBondContact O-N 2.9Å; Q757-T761 PolarHBondContact O-N 3.22Å
758	R	77.9	Confident	72	Confident	58 Å²	58	69.8 Å²	69.8	22%	0.219	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-8.4	170.2	-66.8	-177.9	176.7	157.3	5.9	115.1	N754 H756 G762 E763 S776	N754-R758 PolarHBondContact O-N 3.38Å; H756-R758 PolarHBondContact O-N 3.32Å; R758-G762 CarbonylContact O-C 3.48Å; R758-G762 WeakPolarHBondContact O-CA 3.34Å; R758-G762 PolarHBondContact O-N 3.23Å; R758-E763 HydrophobicContact CB-CB 4.18Å; R758-E763 HydrophobicContact CG-CB 3.93Å; R758-E763 IonicContact NE-OE2 3.42Å; R758-E763 PolarHBondContact O-N 3.05Å; R758-S776 WeakPolarHBondContact CD-O 3.2Å; R758-S776 PolarHBondContact NH1-O 3.38Å; R758-S776 VanDerWaalsContact NH1-O 3.13Å
759	I	64.6	Low	72.4	Confident	119 Å²	119	75.8 Å²	75.8	61%	0.61	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-34.3	168.6	-57	-179	0	0	0	110.5	H756 Q757	H756-I759 WeakPolarHBondContact O-CB 3.47Å; H756-I759 VanDerWaalsContact O-CG1 3.29Å; H756-I759 WeakPolarHBondContact O-CG1 3.22Å; H756-I759 PolarHBondContact O-N 3.18Å; Q757-I759 PolarHBondContact O-N 2.94Å
760	H	71.9	Confident	72.4	Confident	69 Å²	69	79.1 Å²	79.1	32%	0.319	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-47.9	179.3	-50.3	-50.1	0	0	0	111.2	C740 E742 C743 H756 Q757 G762	C740-H760 PolarHBondContact SG-NE2 3.43Å; E742-H760 WeakPolarHBondContact OE1-CB 3.2Å; E742-H760 IonicContact OE2-CD2 3.18Å; E742-H760 PolarHBondContact OE2-CD2 2.98Å; E742-H760 IonicContact OE2-CG 3.45Å; C743-H760 VanDerWaalsContact SG-CE1 3.59Å; H756-H760 AromaticContact CE1-CE1 3.75Å; H756-H760 AromaticContact CE1-NE2 3.45Å; H756-H760 PolarHBondContact CE1-NE2 3.24Å; H756-H760 AromaticContact NE2-CE1 3.96Å; H756-H760 AromaticContact NE2-NE2 3.3Å; H756-H760 PolarHBondContact NE2-NE2 3.13Å; Q757-H760 WeakPolarHBondContact O-CA 3.33Å; Q757-H760 WeakPolarHBondContact O-CB 3.26Å; Q757-H760 PolarHBondContact O-N 2.9Å; H760-G762 PolarHBondContact O-N 3.27Å
761	T	68	Low	72.3	Confident	77 Å²	77	73.9 Å²	73.9	47%	0.472	39%	0.387	S	S	.	.	S	Bend	trans	-71.3	-10.5	174.3	72.5	0	0	0	0	113.5	Q757 E763	Q757-T761 PolarHBondContact O-N 3.22Å; T761-E763 PolarHBondContact O-N 2.86Å; T761-E763 VanDerWaalsContact O-N 3.11Å; T761-E763 WeakPolarHBondContact OG1-CG 3.35Å; T761-E763 PolarHBondContact OG1-OE1 3.03Å
762	G	65	Low	72.4	Confident	41 Å²	41	73.1 Å²	73.1	42%	0.423	39%	0.39	S	S	.	.			trans	70.3	-0.7	-179.5	0	0	0	0	0	115.4	R758 H760	R758-G762 CarbonylContact O-C 3.48Å; R758-G762 WeakPolarHBondContact O-CA 3.34Å; R758-G762 PolarHBondContact O-N 3.23Å; H760-G762 PolarHBondContact O-N 3.27Å
763	E	69.9	Low	72.5	Confident	95 Å²	95	74.5 Å²	74.5	44%	0.444	39%	0.393	S	S	.	.			trans	-56.2	133.7	-175.3	-85.9	173.8	-136.6	0	0	114.1	R758 T761	R758-E763 HydrophobicContact CB-CB 4.18Å; R758-E763 HydrophobicContact CG-CB 3.93Å; R758-E763 IonicContact NE-OE2 3.42Å; R758-E763 PolarHBondContact O-N 3.05Å; T761-E763 PolarHBondContact O-N 2.86Å; T761-E763 VanDerWaalsContact O-N 3.11Å; T761-E763 WeakPolarHBondContact OG1-CG 3.35Å; T761-E763 PolarHBondContact OG1-OE1 3.03Å
764	K	74.4	Confident	72.4	Confident	116 Å²	116	76.1 Å²	76.1	50%	0.504	41%	0.405	S	S	.	.			trans	-134.2	76.3	175.4	-69.4	161.7	-170.1	152.6	0	110.1	Y766 S774 F775	K764-Y766 VanDerWaalsContact C-N 3.3Å; K764-Y766 PolarHBondContact O-N 2.9Å; K764-S774 WeakPolarHBondContact O-CB 2.9Å; K764-F775 CarbonylContact C-O 3.21Å; K764-F775 VanDerWaalsContact C-O 3.25Å; K764-F775 VanDerWaalsContact CA-O 3.27Å; K764-F775 WeakPolarHBondContact CA-O 3.35Å
765	P	75.6	Confident	72.6	Confident	61 Å²	61	74.7 Å²	74.7	40%	0.396	40%	0.395	S	S	.	.			trans	-64.7	-33.2	-173.9	-23.1	35.9	0	0	0	113.1	K767	P765-K767 PolarHBondContact O-N 2.65Å
766	Y	79.3	Confident	72.9	Confident	78 Å²	78	74.3 Å²	74.3	31%	0.306	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	97.6	-170.8	-53.3	-71.5	0	0	0	110.9	K764 S774 F775 S776 H778	K764-Y766 VanDerWaalsContact C-N 3.3Å; K764-Y766 PolarHBondContact O-N 2.9Å; Y766-S774 CarbonylContact O-C 3.56Å; Y766-S774 WeakPolarHBondContact O-CA 3.33Å; Y766-F775 PolarHBondContact N-O 2.86Å; Y766-F775 VanDerWaalsContact N-O 3.13Å; Y766-F775 PolarHBondContact O-N 2.98Å; Y766-S776 WeakPolarHBondContact CE2-O 3.37Å; Y766-H778 HydrophobicContact CD1-CB 3.94Å; Y766-H778 AromaticContact CD1-CD2 4Å; Y766-H778 HydrophobicContact CD2-CB 4.31Å; Y766-H778 VanDerWaalsContact CD2-N 3.27Å; Y766-H778 HydrophobicContact CE1-CB 3.85Å; Y766-H778 HydrophobicContact CE2-CB 4.2Å; Y766-H778 HydrophobicContact CG-CB 4.17Å
767	K	72.1	Confident	73	Confident	135 Å²	135	75.2 Å²	75.2	59%	0.587	40%	0.4	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.8	126.7	-176.1	-61	177.2	-174	169.2	0	111.4	P765 L769	P765-K767 PolarHBondContact O-N 2.65Å; K767-L769 PolarHBondContact O-N 2.89Å
768	C	82.8	Confident	73.2	Confident	1 Å²	1	76.8 Å²	76.8	1%	0.007	41%	0.407	C	S	.	.			trans	-72.8	112.4	171.1	174.4	0	0	0	0	110.3	E770 C771 G772 K773 F775 L781 H788	C768-E770 VanDerWaalsContact C-N 3.26Å; C768-E770 PolarHBondContact O-N 3.46Å; C768-C771 PolarHBondContact O-N 2.87Å; C768-G772 VanDerWaalsContact O-CA 3.29Å; C768-G772 WeakPolarHBondContact O-CA 3.43Å; C768-G772 PolarHBondContact O-N 3.35Å; C768-K773 HydrophobicContact CB-CB 4.48Å; C768-K773 WeakPolarHBondContact CB-O 3.26Å; C768-K773 PolarHBondContact N-O 2.71Å; C768-F775 HydrophobicContact CB-CE2 4.29Å; C768-L781 HydrophobicContact CB-CD1 3.55Å; C768-H788 PolarHBondContact SG-NE2 2.73Å
769	L	77	Confident	73	Confident	164 Å²	164	77.5 Å²	77.5	86%	0.859	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-28.6	-177	-55.6	-179.9	0	0	0	112.9	K767	K767-L769 PolarHBondContact O-N 2.89Å
770	E	68.2	Low	73.6	Confident	112 Å²	112	76 Å²	76	52%	0.523	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-24.6	-176.8	-62.3	161.4	105.7	0	0	114	C768 H788	C768-E770 VanDerWaalsContact C-N 3.26Å; C768-E770 PolarHBondContact O-N 3.46Å; E770-H788 WeakPolarHBondContact OE1-CB 3.4Å; E770-H788 IonicContact OE1-CG 3.8Å; E770-H788 IonicContact OE2-CD2 3.55Å; E770-H788 PolarHBondContact OE2-CD2 3.19Å; E770-H788 IonicContact OE2-CG 3.62Å
771	C	68.8	Low	73.9	Confident	54 Å²	54	73.3 Å²	73.3	37%	0.365	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-145	12.7	-179.3	79.4	0	0	0	0	116.1	C768 K773 H784 H788	C768-C771 PolarHBondContact O-N 2.87Å; C771-K773 PolarHBondContact O-N 3.43Å; C771-K773 VanDerWaalsContact O-N 3.16Å; C771-H784 PolarHBondContact SG-NE2 3.24Å; C771-H788 VanDerWaalsContact SG-CE1 3.52Å; C771-H788 PolarHBondContact SG-NE2 3.14Å
772	G	71.1	Confident	74.3	Confident	57 Å²	57	72.5 Å²	72.5	59%	0.588	39%	0.394	S	S	*	.			trans	70.3	4.1	174	0	0	0	0	0	116.3	C768	C768-G772 VanDerWaalsContact O-CA 3.29Å; C768-G772 WeakPolarHBondContact O-CA 3.43Å; C768-G772 PolarHBondContact O-N 3.35Å
773	K	72.3	Confident	74.7	Confident	114 Å²	114	72 Å²	72	50%	0.496	38%	0.383	S	S	.	.			trans	-75.7	128.1	-178.9	-70.7	175.2	-168.1	152.2	0	111.5	C768 C771 F775	C768-K773 HydrophobicContact CB-CB 4.48Å; C768-K773 WeakPolarHBondContact CB-O 3.26Å; C768-K773 PolarHBondContact N-O 2.71Å; C771-K773 PolarHBondContact O-N 3.43Å; C771-K773 VanDerWaalsContact O-N 3.16Å; K773-F775 HydrophobicContact CB-CE2 3.73Å; K773-F775 HydrophobicContact CB-CZ 3.9Å; K773-F775 WeakPolarHBondContact O-CD2 3.46Å; K773-F775 VanDerWaalsContact O-CE2 3.26Å; K773-F775 WeakPolarHBondContact O-CE2 3.27Å
774	S	74.3	Confident	75.1	Confident	49 Å²	49	68.2 Å²	68.2	34%	0.343	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	140.5	-179.9	-39.5	0	0	0	0	111.7	K764 Y766	K764-S774 WeakPolarHBondContact O-CB 2.9Å; Y766-S774 CarbonylContact O-C 3.56Å; Y766-S774 WeakPolarHBondContact O-CA 3.33Å
775	F	78.6	Confident	75	Confident	46 Å²	46	65.4 Å²	65.4	20%	0.202	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	148.4	-179.8	-57.5	-90.6	0	0	0	110.8	K764 Y766 C768 K773 N780 L781 H784	K764-F775 CarbonylContact C-O 3.21Å; K764-F775 VanDerWaalsContact C-O 3.25Å; K764-F775 VanDerWaalsContact CA-O 3.27Å; K764-F775 WeakPolarHBondContact CA-O 3.35Å; Y766-F775 PolarHBondContact N-O 2.86Å; Y766-F775 VanDerWaalsContact N-O 3.13Å; Y766-F775 PolarHBondContact O-N 2.98Å; C768-F775 HydrophobicContact CB-CE2 4.29Å; K773-F775 HydrophobicContact CB-CE2 3.73Å; K773-F775 HydrophobicContact CB-CZ 3.9Å; K773-F775 WeakPolarHBondContact O-CD2 3.46Å; K773-F775 VanDerWaalsContact O-CE2 3.26Å; K773-F775 WeakPolarHBondContact O-CE2 3.27Å; F775-N780 HydrophobicContact CB-CB 4.26Å; F775-N780 HydrophobicContact CD1-CB 4.02Å; F775-N780 HydrophobicContact CG-CB 4.4Å; F775-L781 HydrophobicContact CB-CB 4.48Å; F775-L781 HydrophobicContact CD2-CB 4.08Å; F775-L781 HydrophobicContact CD2-CD1 4.02Å; F775-L781 HydrophobicContact CE2-CD1 4.2Å; F775-L781 HydrophobicContact CG-CB 4.47Å; F775-H784 HydrophobicContact CE1-CB 4.11Å; F775-H784 HydrophobicContact CE2-CB 3.97Å; F775-H784 AromaticContact CE2-CD2 3.33Å; F775-H784 WeakPolarHBondContact CE2-CD2 3.44Å; F775-H784 AromaticContact CE2-CG 3.76Å; F775-H784 HydrophobicContact CZ-CB 3.57Å; F775-H784 AromaticContact CZ-CD2 3.35Å; F775-H784 WeakPolarHBondContact CZ-CD2 3.44Å; F775-H784 AromaticContact CZ-CG 3.34Å
776	S	75.1	Confident	75.2	Confident	38 Å²	38	64.7 Å²	64.7	27%	0.266	34%	0.344	S	S	.	.	S	Bend	trans	-78.6	-22.8	179.3	47.7	0	0	0	0	113.6	R758 Y766	R758-S776 WeakPolarHBondContact CD-O 3.2Å; R758-S776 PolarHBondContact NH1-O 3.38Å; R758-S776 VanDerWaalsContact NH1-O 3.13Å; Y766-S776 WeakPolarHBondContact CE2-O 3.37Å
777	D	76.1	Confident	74.8	Confident	35 Å²	35	66.1 Å²	66.1	19%	0.187	36%	0.355	C	S	.	.	S	Bend	trans	-126.9	148	175.4	146.7	68.6	0	0	0	111.2	T755 S779 N780 L781	T755-D777 HydrophobicContact CG2-CB 4.46Å; D777-S779 VanDerWaalsContact CG-N 3.26Å; D777-S779 PolarHBondContact OD1-N 2.77Å; D777-S779 PolarHBondContact OD1-OG 3.04Å; D777-S779 WeakPolarHBondContact OD2-CA 3.47Å; D777-S779 WeakPolarHBondContact OD2-CB 3.17Å; D777-S779 PolarHBondContact OD2-N 2.9Å; D777-S779 VanDerWaalsContact OD2-N 3.1Å; D777-N780 PolarHBondContact OD2-N 3.07Å; D777-N780 PolarHBondContact OD2-ND2 3.37Å; D777-L781 PolarHBondContact O-N 2.78Å
778	H	73.8	Confident	74.7	Confident	93 Å²	93	63.1 Å²	63.1	43%	0.431	34%	0.343	S	S	.	.	H	α-helix	trans	-68.6	-36.2	-179.6	-177.4	-115.7	0	0	0	112.6	Y766 N780 L781 I782	Y766-H778 HydrophobicContact CD1-CB 3.94Å; Y766-H778 AromaticContact CD1-CD2 4Å; Y766-H778 HydrophobicContact CD2-CB 4.31Å; Y766-H778 VanDerWaalsContact CD2-N 3.27Å; Y766-H778 HydrophobicContact CE1-CB 3.85Å; Y766-H778 HydrophobicContact CE2-CB 4.2Å; Y766-H778 HydrophobicContact CG-CB 4.17Å; H778-N780 VanDerWaalsContact C-N 3.27Å; H778-N780 PolarHBondContact O-N 2.89Å; H778-L781 WeakPolarHBondContact O-CA 3.43Å; H778-L781 WeakPolarHBondContact O-CB 3.39Å; H778-L781 PolarHBondContact O-N 3.48Å; H778-I782 WeakPolarHBondContact O-CG1 3.44Å; H778-I782 PolarHBondContact O-N 3.13Å
779	S	74.2	Confident	74.1	Confident	74 Å²	74	66.7 Å²	66.7	52%	0.517	37%	0.365	S	S	.	.	H	α-helix	trans	-63	-36.3	179.4	-38.2	0	0	0	0	111.8	D777 T783	D777-S779 VanDerWaalsContact CG-N 3.26Å; D777-S779 PolarHBondContact OD1-N 2.77Å; D777-S779 PolarHBondContact OD1-OG 3.04Å; D777-S779 WeakPolarHBondContact OD2-CA 3.47Å; D777-S779 WeakPolarHBondContact OD2-CB 3.17Å; D777-S779 PolarHBondContact OD2-N 2.9Å; D777-S779 VanDerWaalsContact OD2-N 3.1Å; S779-T783 WeakPolarHBondContact O-CG2 3.49Å; S779-T783 PolarHBondContact O-N 2.89Å; S779-T783 PolarHBondContact O-OG1 2.92Å
780	N	77.2	Confident	73.6	Confident	86 Å²	86	61 Å²	61	46%	0.46	35%	0.346	S	S	.	.	H	α-helix	trans	-67.4	-35.5	170.9	-77.4	-79.8	0	0	0	112.6	F775 D777 H778 T783 H784	F775-N780 HydrophobicContact CB-CB 4.26Å; F775-N780 HydrophobicContact CD1-CB 4.02Å; F775-N780 HydrophobicContact CG-CB 4.4Å; D777-N780 PolarHBondContact OD2-N 3.07Å; D777-N780 PolarHBondContact OD2-ND2 3.37Å; H778-N780 VanDerWaalsContact C-N 3.27Å; H778-N780 PolarHBondContact O-N 2.89Å; N780-T783 PolarHBondContact O-OG1 3.12Å; N780-H784 VanDerWaalsContact O-CB 3.26Å; N780-H784 WeakPolarHBondContact O-CB 3.46Å; N780-H784 PolarHBondContact O-N 3.16Å
781	L	78.2	Confident	73.7	Confident	14 Å²	14	60.1 Å²	60.1	7%	0.073	34%	0.342	C	S	.	.	H	α-helix	trans	-65.2	-49.5	170.9	172.7	60.2	0	0	0	111.7	C768 F775 D777 H778 T783 H784 Q785	C768-L781 HydrophobicContact CB-CD1 3.55Å; F775-L781 HydrophobicContact CB-CB 4.48Å; F775-L781 HydrophobicContact CD2-CB 4.08Å; F775-L781 HydrophobicContact CD2-CD1 4.02Å; F775-L781 HydrophobicContact CE2-CD1 4.2Å; F775-L781 HydrophobicContact CG-CB 4.47Å; D777-L781 PolarHBondContact O-N 2.78Å; H778-L781 WeakPolarHBondContact O-CA 3.43Å; H778-L781 WeakPolarHBondContact O-CB 3.39Å; H778-L781 PolarHBondContact O-N 3.48Å; L781-T783 PolarHBondContact O-N 2.98Å; L781-H784 CarbonylContact O-C 3.58Å; L781-H784 WeakPolarHBondContact O-CA 3.18Å; L781-H784 WeakPolarHBondContact O-CB 3.49Å; L781-H784 PolarHBondContact O-N 3.09Å; L781-Q785 HydrophobicContact CD1-CG 4.01Å; L781-Q785 HydrophobicContact CG-CG 4.48Å; L781-Q785 PolarHBondContact O-N 3.08Å
782	I	76.3	Confident	74	Confident	59 Å²	59	63.4 Å²	63.4	30%	0.303	35%	0.35	S	S	.	.	H	α-helix	trans	-59.1	-46.1	179.5	-61.8	-54.3	0	0	0	111.2	H778 H784 Q785 R786	H778-I782 WeakPolarHBondContact O-CG1 3.44Å; H778-I782 PolarHBondContact O-N 3.13Å; I782-H784 PolarHBondContact O-N 3.35Å; I782-Q785 PolarHBondContact O-N 3.12Å; I782-R786 PolarHBondContact O-N 2.79Å
783	T	73.8	Confident	74.2	Confident	32 Å²	32	64 Å²	64	20%	0.196	34%	0.343	C	S	.	.	H	α-helix	trans	-70.8	-18.4	177.5	57.9	0	0	0	0	113.6	S779 N780 L781 Q805	S779-T783 WeakPolarHBondContact O-CG2 3.49Å; S779-T783 PolarHBondContact O-N 2.89Å; S779-T783 PolarHBondContact O-OG1 2.92Å; N780-T783 PolarHBondContact O-OG1 3.12Å; L781-T783 PolarHBondContact O-N 2.98Å; T783-Q805 HydrophobicContact CG2-CG 4.19Å
784	H	77	Confident	74.5	Confident	15 Å²	15	62.3 Å²	62.3	7%	0.069	33%	0.334	C	S	.	.	H	α-helix	trans	-78.8	-39.9	168.8	174.4	47.5	0	0	0	112.9	C771 F775 N780 L781 I782 R786 I787 H788	C771-H784 PolarHBondContact SG-NE2 3.24Å; F775-H784 HydrophobicContact CE1-CB 4.11Å; F775-H784 HydrophobicContact CE2-CB 3.97Å; F775-H784 AromaticContact CE2-CD2 3.33Å; F775-H784 WeakPolarHBondContact CE2-CD2 3.44Å; F775-H784 AromaticContact CE2-CG 3.76Å; F775-H784 HydrophobicContact CZ-CB 3.57Å; F775-H784 AromaticContact CZ-CD2 3.35Å; F775-H784 WeakPolarHBondContact CZ-CD2 3.44Å; F775-H784 AromaticContact CZ-CG 3.34Å; N780-H784 VanDerWaalsContact O-CB 3.26Å; N780-H784 WeakPolarHBondContact O-CB 3.46Å; N780-H784 PolarHBondContact O-N 3.16Å; L781-H784 CarbonylContact O-C 3.58Å; L781-H784 WeakPolarHBondContact O-CA 3.18Å; L781-H784 WeakPolarHBondContact O-CB 3.49Å; L781-H784 PolarHBondContact O-N 3.09Å; I782-H784 PolarHBondContact O-N 3.35Å; H784-R786 PolarHBondContact O-N 3.31Å; H784-I787 WeakPolarHBondContact O-CB 3.48Å; H784-I787 WeakPolarHBondContact O-CG1 3.24Å; H784-I787 PolarHBondContact O-N 2.82Å; H784-H788 AromaticContact CD2-NE2 3.96Å; H784-H788 AromaticContact CE1-CE1 3.76Å; H784-H788 AromaticContact CE1-NE2 3.37Å; H784-H788 PolarHBondContact CE1-NE2 2.91Å; H784-H788 AromaticContact NE2-CE1 3.82Å; H784-H788 AromaticContact NE2-NE2 3.11Å; H784-H788 PolarHBondContact NE2-NE2 3.37Å; H784-H788 VanDerWaalsContact NE2-NE2 3.11Å
785	Q	72.7	Confident	74.3	Confident	57 Å²	57	66.5 Å²	66.5	27%	0.266	35%	0.346	S	S	.	.	H	α-helix	trans	-60.4	-32.3	178.3	-75.2	169.1	-56.1	0	0	112.5	L781 I782 I787 H788 T789	L781-Q785 HydrophobicContact CD1-CG 4.01Å; L781-Q785 HydrophobicContact CG-CG 4.48Å; L781-Q785 PolarHBondContact O-N 3.08Å; I782-Q785 PolarHBondContact O-N 3.12Å; Q785-I787 PolarHBondContact O-N 3.44Å; Q785-H788 PolarHBondContact O-N 3.49Å; Q785-T789 PolarHBondContact O-N 3.11Å; Q785-T789 VanDerWaalsContact O-N 3.07Å
786	R	80.6	Confident	74.3	Confident	46 Å²	46	64.3 Å²	64.3	17%	0.174	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-9.2	170.2	-64	-179.9	-176	160.2	4	115	I782 H784 G790 E791 Y794 N804	I782-R786 PolarHBondContact O-N 2.79Å; H784-R786 PolarHBondContact O-N 3.31Å; R786-G790 CarbonylContact O-C 3.55Å; R786-G790 WeakPolarHBondContact O-CA 3.35Å; R786-G790 PolarHBondContact O-N 3.42Å; R786-E791 HydrophobicContact CB-CB 4.24Å; R786-E791 HydrophobicContact CG-CB 4.05Å; R786-E791 PolarHBondContact O-N 3.1Å; R786-Y794 PolarHBondContact NH1-OH 3.33Å; R786-N804 HydrophobicContact CB-CB 4.32Å; R786-N804 WeakPolarHBondContact CD-O 3.14Å; R786-N804 PolarHBondContact NH1-O 3.35Å; R786-N804 VanDerWaalsContact NH1-O 3.16Å
787	I	70.1	Confident	74	Confident	108 Å²	108	65.1 Å²	65.1	55%	0.554	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-31.6	170.3	-57.2	-177.6	0	0	0	111	H784 Q785	H784-I787 WeakPolarHBondContact O-CB 3.48Å; H784-I787 WeakPolarHBondContact O-CG1 3.24Å; H784-I787 PolarHBondContact O-N 2.82Å; Q785-I787 PolarHBondContact O-N 3.44Å
788	H	71.2	Confident	73.6	Confident	71 Å²	71	67.8 Å²	67.8	33%	0.329	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-45.4	179.1	-50.6	-56.3	0	0	0	111.4	C768 E770 C771 H784 Q785 G790	C768-H788 PolarHBondContact SG-NE2 2.73Å; E770-H788 WeakPolarHBondContact OE1-CB 3.4Å; E770-H788 IonicContact OE1-CG 3.8Å; E770-H788 IonicContact OE2-CD2 3.55Å; E770-H788 PolarHBondContact OE2-CD2 3.19Å; E770-H788 IonicContact OE2-CG 3.62Å; C771-H788 VanDerWaalsContact SG-CE1 3.52Å; C771-H788 PolarHBondContact SG-NE2 3.14Å; H784-H788 AromaticContact CD2-NE2 3.96Å; H784-H788 AromaticContact CE1-CE1 3.76Å; H784-H788 AromaticContact CE1-NE2 3.37Å; H784-H788 PolarHBondContact CE1-NE2 2.91Å; H784-H788 AromaticContact NE2-CE1 3.82Å; H784-H788 AromaticContact NE2-NE2 3.11Å; H784-H788 PolarHBondContact NE2-NE2 3.37Å; H784-H788 VanDerWaalsContact NE2-NE2 3.11Å; Q785-H788 PolarHBondContact O-N 3.49Å; H788-G790 PolarHBondContact O-N 2.81Å
789	T	69.4	Low	73.6	Confident	76 Å²	76	65.3 Å²	65.3	47%	0.466	36%	0.355	S	S	.	.	S	Bend	trans	-70.8	-14.9	173.7	69.7	0	0	0	0	113	Q785 E791	Q785-T789 PolarHBondContact O-N 3.11Å; Q785-T789 VanDerWaalsContact O-N 3.07Å; T789-E791 VanDerWaalsContact CB-OE1 3.26Å; T789-E791 WeakPolarHBondContact CB-OE1 3.3Å; T789-E791 PolarHBondContact O-N 2.67Å; T789-E791 VanDerWaalsContact OG1-CD 3.23Å; T789-E791 WeakPolarHBondContact OG1-CG 3.48Å; T789-E791 PolarHBondContact OG1-OE1 3.38Å
790	G	66.3	Low	73.2	Confident	44 Å²	44	70.8 Å²	70.8	45%	0.454	37%	0.365	S	S	.	.			trans	71.5	3.1	-178.7	0	0	0	0	0	114.7	R786 H788	R786-G790 CarbonylContact O-C 3.55Å; R786-G790 WeakPolarHBondContact O-CA 3.35Å; R786-G790 PolarHBondContact O-N 3.42Å; H788-G790 PolarHBondContact O-N 2.81Å
791	E	69.6	Low	72.7	Confident	94 Å²	94	72.5 Å²	72.5	44%	0.439	37%	0.368	S	S	.	.			trans	-55.3	134.5	-175.9	-83.7	166	-118.1	0	0	113.7	R786 T789	R786-E791 HydrophobicContact CB-CB 4.24Å; R786-E791 HydrophobicContact CG-CB 4.05Å; R786-E791 PolarHBondContact O-N 3.1Å; T789-E791 VanDerWaalsContact CB-OE1 3.26Å; T789-E791 WeakPolarHBondContact CB-OE1 3.3Å; T789-E791 PolarHBondContact O-N 2.67Å; T789-E791 VanDerWaalsContact OG1-CD 3.23Å; T789-E791 WeakPolarHBondContact OG1-CG 3.48Å; T789-E791 PolarHBondContact OG1-OE1 3.38Å
792	K	77.1	Confident	72.5	Confident	124 Å²	124	74 Å²	74	54%	0.539	38%	0.379	S	S	.	.			trans	-132.7	72.1	177.6	-73.9	162.1	175.4	177.9	0	110.6	Y794 S802 F803	K792-Y794 PolarHBondContact O-N 3.28Å; K792-S802 WeakPolarHBondContact CD-O 3.08Å; K792-F803 CarbonylContact C-O 3.18Å; K792-F803 WeakPolarHBondContact CA-O 3.49Å
793	P	74.1	Confident	72.6	Confident	69 Å²	69	73.3 Å²	73.3	45%	0.448	37%	0.374	S	S	.	.			trans	-63.1	-28.3	-172.8	-22.5	34.9	0	0	0	113.5	K795	P793-K795 PolarHBondContact O-N 3.16Å
794	Y	79.4	Confident	72.7	Confident	78 Å²	78	73.8 Å²	73.8	31%	0.306	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	98.8	-171.3	-50.6	-79.7	0	0	0	110.2	R786 K792 S802 F803 N804 S806	R786-Y794 PolarHBondContact NH1-OH 3.33Å; K792-Y794 PolarHBondContact O-N 3.28Å; Y794-S802 CarbonylContact O-C 3.54Å; Y794-S802 WeakPolarHBondContact O-CA 3.28Å; Y794-F803 WeakPolarHBondContact CD2-O 3.4Å; Y794-F803 PolarHBondContact N-O 3.25Å; Y794-F803 VanDerWaalsContact N-O 3.13Å; Y794-F803 PolarHBondContact O-N 3.4Å; Y794-N804 WeakPolarHBondContact CE2-O 3.37Å; Y794-S806 VanDerWaalsContact CD2-N 3.25Å; Y794-S806 VanDerWaalsContact CE2-N 3.35Å
795	K	68.9	Low	72.7	Confident	137 Å²	137	75.9 Å²	75.9	60%	0.596	39%	0.385	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.1	140.5	179.7	-58	-178.5	-176.9	174.5	0	111.4	P793 L809	P793-K795 PolarHBondContact O-N 3.16Å; K795-L809 WeakPolarHBondContact O-CD2 3.38Å
796	C	78.8	Confident	72.3	Confident	1 Å²	1	75.9 Å²	75.9	1%	0.007	39%	0.392	C	S	.	.			trans	-81.5	125.7	171.4	166.9	0	0	0	0	110.2	E798 C799 W800 K801 L809 Q813 H816	C796-E798 VanDerWaalsContact C-N 3.3Å; C796-E798 PolarHBondContact O-N 3.02Å; C796-E798 PolarHBondContact SG-N 3.4Å; C796-E798 VanDerWaalsContact SG-N 3.43Å; C796-E798 PolarHBondContact SG-OE2 3.05Å; C796-C799 PolarHBondContact SG-N 3.02Å; C796-C799 VanDerWaalsContact SG-N 3.4Å; C796-W800 WeakPolarHBondContact O-CA 3.42Å; C796-W800 PolarHBondContact O-N 3.06Å; C796-K801 WeakPolarHBondContact CB-O 3.25Å; C796-K801 PolarHBondContact N-O 3.34Å; C796-L809 VanDerWaalsContact CA-CD1 3.48Å; C796-L809 HydrophobicContact CB-CD1 3.55Å; C796-Q813 HydrophobicContact CB-CG 4.4Å; C796-H816 PolarHBondContact SG-NE2 3.39Å
797	G	69.8	Low	71.7	Confident	54 Å²	54	76 Å²	76	56%	0.557	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-30.6	177.1	0	0	0	0	0	113.5
798	E	67.4	Low	71.9	Confident	92 Å²	92	73 Å²	73	43%	0.43	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-30.9	-173.1	-56.5	126.5	117.8	0	0	113.7	C796 Q813 H816	C796-E798 VanDerWaalsContact C-N 3.3Å; C796-E798 PolarHBondContact O-N 3.02Å; C796-E798 PolarHBondContact SG-N 3.4Å; C796-E798 VanDerWaalsContact SG-N 3.43Å; C796-E798 PolarHBondContact SG-OE2 3.05Å; E798-Q813 PolarHBondContact OE2-NE2 3.24Å; E798-H816 HydrophobicContact CB-CB 4.33Å; E798-H816 HydrophobicContact CG-CB 4.45Å; E798-H816 IonicContact OE1-CD2 2.71Å; E798-H816 IonicContact OE1-CG 3.51Å; E798-H816 IonicContact OE2-CD2 3.59Å; E798-H816 PolarHBondContact OE2-CD2 3.37Å
799	C	73.7	Confident	71.9	Confident	40 Å²	40	70.5 Å²	70.5	27%	0.27	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-142.4	15.7	179.3	84.4	0	0	0	0	115.4	C796 K801 H812 H816	C796-C799 PolarHBondContact SG-N 3.02Å; C796-C799 VanDerWaalsContact SG-N 3.4Å; C799-K801 PolarHBondContact O-N 3.47Å; C799-K801 VanDerWaalsContact SG-CD 3.54Å; C799-H812 VanDerWaalsContact SG-CE1 3.59Å; C799-H812 PolarHBondContact SG-NE2 2.9Å; C799-H816 PolarHBondContact SG-CE1 3.4Å; C799-H816 PolarHBondContact SG-NE2 3Å; C799-H816 VanDerWaalsContact SG-NE2 3.37Å
800	W	66.1	Low	71.6	Confident	190 Å²	190	71.7 Å²	71.7	72%	0.72	38%	0.377	S	S	*	.			trans	63.1	-5.3	170.7	-54.7	93	0	0	0	117.1	C796 S802	C796-W800 WeakPolarHBondContact O-CA 3.42Å; C796-W800 PolarHBondContact O-N 3.06Å; W800-S802 PolarHBondContact O-N 2.72Å; W800-S802 PolarHBondContact O-OG 2.99Å; W800-S802 VanDerWaalsContact O-OG 3.14Å
801	K	66	Low	71.6	Confident	121 Å²	121	74.4 Å²	74.4	53%	0.526	38%	0.376	S	S	.	.			trans	-54.5	132.4	172.9	-70.4	173.9	-168.4	152.7	0	110.5	C796 C799 F803	C796-K801 WeakPolarHBondContact CB-O 3.25Å; C796-K801 PolarHBondContact N-O 3.34Å; C799-K801 PolarHBondContact O-N 3.47Å; C799-K801 VanDerWaalsContact SG-CD 3.54Å; K801-F803 HydrophobicContact CB-CE2 3.78Å; K801-F803 HydrophobicContact CB-CZ 3.94Å; K801-F803 VanDerWaalsContact O-CE2 3.28Å; K801-F803 WeakPolarHBondContact O-CE2 3.31Å
802	S	73.4	Confident	71.5	Confident	45 Å²	45	70.6 Å²	70.6	32%	0.315	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	141.2	-171.4	-31.2	0	0	0	0	111.5	K792 Y794 W800	K792-S802 WeakPolarHBondContact CD-O 3.08Å; Y794-S802 CarbonylContact O-C 3.54Å; Y794-S802 WeakPolarHBondContact O-CA 3.28Å; W800-S802 PolarHBondContact O-N 2.72Å; W800-S802 PolarHBondContact O-OG 2.99Å; W800-S802 VanDerWaalsContact O-OG 3.14Å
803	F	79.1	Confident	70.6	Confident	46 Å²	46	67.3 Å²	67.3	20%	0.202	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	151.6	-172	-58.6	-90.7	0	0	0	111.9	K792 Y794 K801 N808 L809 H812	K792-F803 CarbonylContact C-O 3.18Å; K792-F803 WeakPolarHBondContact CA-O 3.49Å; Y794-F803 WeakPolarHBondContact CD2-O 3.4Å; Y794-F803 PolarHBondContact N-O 3.25Å; Y794-F803 VanDerWaalsContact N-O 3.13Å; Y794-F803 PolarHBondContact O-N 3.4Å; K801-F803 HydrophobicContact CB-CE2 3.78Å; K801-F803 HydrophobicContact CB-CZ 3.94Å; K801-F803 VanDerWaalsContact O-CE2 3.28Å; K801-F803 WeakPolarHBondContact O-CE2 3.31Å; F803-N808 HydrophobicContact CB-CB 4.09Å; F803-N808 HydrophobicContact CD1-CB 3.99Å; F803-N808 HydrophobicContact CG-CB 4.32Å; F803-L809 HydrophobicContact CB-CB 4.26Å; F803-L809 HydrophobicContact CD2-CB 3.97Å; F803-L809 HydrophobicContact CD2-CD1 3.95Å; F803-L809 HydrophobicContact CE2-CD1 4.24Å; F803-L809 HydrophobicContact CG-CB 4.32Å; F803-H812 HydrophobicContact CE1-CB 3.98Å; F803-H812 HydrophobicContact CE2-CB 3.82Å; F803-H812 AromaticContact CE2-CD2 3.25Å; F803-H812 WeakPolarHBondContact CE2-CD2 3.25Å; F803-H812 AromaticContact CE2-CG 3.61Å; F803-H812 HydrophobicContact CZ-CB 3.44Å; F803-H812 VanDerWaalsContact CZ-CB 3.44Å; F803-H812 AromaticContact CZ-CD2 3.39Å; F803-H812 WeakPolarHBondContact CZ-CD2 3.25Å; F803-H812 AromaticContact CZ-CG 3.27Å
804	N	75.6	Confident	70.2	Confident	41 Å²	41	68.4 Å²	68.4	22%	0.219	34%	0.34	C	S	.	.	S	Bend	trans	-81.1	-15.7	-178.4	62.2	-13.5	0	0	0	114.4	R786 Y794 N808	R786-N804 HydrophobicContact CB-CB 4.32Å; R786-N804 WeakPolarHBondContact CD-O 3.14Å; R786-N804 PolarHBondContact NH1-O 3.35Å; R786-N804 VanDerWaalsContact NH1-O 3.16Å; Y794-N804 WeakPolarHBondContact CE2-O 3.37Å; N804-N808 PolarHBondContact OD1-ND2 2.85Å
805	Q	76.5	Confident	69.5	Low	59 Å²	59	69.9 Å²	69.9	28%	0.276	35%	0.352	S	S	.	.	S	Bend	trans	-137.4	140.8	179	-63.1	175	-20.8	0	0	109.8	T783 S807 N808 L809	T783-Q805 HydrophobicContact CG2-CG 4.19Å; Q805-S807 VanDerWaalsContact C-N 3.27Å; Q805-S807 PolarHBondContact O-N 3.16Å; Q805-N808 HydrophobicContact CB-CB 4.49Å; Q805-N808 WeakPolarHBondContact O-CB 3.44Å; Q805-N808 PolarHBondContact O-N 2.71Å; Q805-N808 PolarHBondContact OE1-ND2 3.24Å; Q805-L809 PolarHBondContact O-N 3.13Å
806	S	65.8	Low	69.4	Low	57 Å²	57	66.7 Å²	66.7	40%	0.399	34%	0.339	S	S	.	.	H	α-helix	trans	-56.3	-41.1	176.3	50.7	0	0	0	0	112.1	Y794 N808 L809 L810	Y794-S806 VanDerWaalsContact CD2-N 3.25Å; Y794-S806 VanDerWaalsContact CE2-N 3.35Å; S806-N808 PolarHBondContact O-N 3.12Å; S806-N808 VanDerWaalsContact O-N 3.15Å; S806-L809 WeakPolarHBondContact O-CB 3.29Å; S806-L809 PolarHBondContact O-N 3.04Å; S806-L809 VanDerWaalsContact O-N 3.1Å; S806-L810 WeakPolarHBondContact O-CG 3.47Å; S806-L810 PolarHBondContact O-N 2.81Å
807	S	67.9	Low	68.2	Low	50 Å²	50	73.5 Å²	73.5	35%	0.35	37%	0.374	S	S	.	.	H	α-helix	trans	-61.4	-22.9	176.5	79	0	0	0	0	113.6	Q805 K811	Q805-S807 VanDerWaalsContact C-N 3.27Å; Q805-S807 PolarHBondContact O-N 3.16Å; S807-K811 WeakPolarHBondContact O-CD 3.38Å; S807-K811 WeakPolarHBondContact O-CE 3.39Å; S807-K811 WeakPolarHBondContact O-CG 3.32Å; S807-K811 PolarHBondContact O-N 3.34Å; S807-K811 PolarHBondContact O-NZ 3.35Å; S807-K811 PolarHBondContact OG-NZ 3.47Å
808	N	74.2	Confident	66.9	Low	43 Å²	43	72.8 Å²	72.8	23%	0.23	37%	0.367	C	S	.	.	H	α-helix	trans	-86	-34	175.7	-65.2	-27.6	0	0	0	111.7	F803 N804 Q805 S806 K811 H812	F803-N808 HydrophobicContact CB-CB 4.09Å; F803-N808 HydrophobicContact CD1-CB 3.99Å; F803-N808 HydrophobicContact CG-CB 4.32Å; N804-N808 PolarHBondContact OD1-ND2 2.85Å; Q805-N808 HydrophobicContact CB-CB 4.49Å; Q805-N808 WeakPolarHBondContact O-CB 3.44Å; Q805-N808 PolarHBondContact O-N 2.71Å; Q805-N808 PolarHBondContact OE1-ND2 3.24Å; S806-N808 PolarHBondContact O-N 3.12Å; S806-N808 VanDerWaalsContact O-N 3.15Å; N808-K811 PolarHBondContact OD1-NZ 3.28Å; N808-H812 WeakPolarHBondContact O-CB 3.45Å; N808-H812 PolarHBondContact O-N 3.09Å
809	L	70.8	Confident	65.2	Low	20 Å²	20	71.9 Å²	71.9	11%	0.105	38%	0.383	C	S	.	.	H	α-helix	trans	-61.5	-50.7	167.5	170.2	61.4	0	0	0	111.1	K795 C796 F803 Q805 S806 K811 H812 Q813	K795-L809 WeakPolarHBondContact O-CD2 3.38Å; C796-L809 VanDerWaalsContact CA-CD1 3.48Å; C796-L809 HydrophobicContact CB-CD1 3.55Å; F803-L809 HydrophobicContact CB-CB 4.26Å; F803-L809 HydrophobicContact CD2-CB 3.97Å; F803-L809 HydrophobicContact CD2-CD1 3.95Å; F803-L809 HydrophobicContact CE2-CD1 4.24Å; F803-L809 HydrophobicContact CG-CB 4.32Å; Q805-L809 PolarHBondContact O-N 3.13Å; S806-L809 WeakPolarHBondContact O-CB 3.29Å; S806-L809 PolarHBondContact O-N 3.04Å; S806-L809 VanDerWaalsContact O-N 3.1Å; L809-K811 VanDerWaalsContact C-N 3.32Å; L809-K811 PolarHBondContact O-N 3.23Å; L809-H812 CarbonylContact O-C 3.57Å; L809-H812 WeakPolarHBondContact O-CA 3.33Å; L809-H812 WeakPolarHBondContact O-CB 3.19Å; L809-H812 PolarHBondContact O-N 2.85Å; L809-Q813 HydrophobicContact CD1-CG 3.75Å; L809-Q813 HydrophobicContact CG-CG 4.26Å; L809-Q813 PolarHBondContact O-N 3.12Å
810	L	62.5	Low	62.9	Low	100 Å²	100	76 Å²	76	52%	0.524	40%	0.402	S	S	.	.	H	α-helix	trans	-60.7	-37.7	179.7	-74.2	161.1	0	0	0	112.6	S806 H812	S806-L810 WeakPolarHBondContact O-CG 3.47Å; S806-L810 PolarHBondContact O-N 2.81Å; L810-H812 PolarHBondContact O-N 2.87Å
811	K	66.3	Low	61.5	Low	102 Å²	102	72.7 Å²	72.7	44%	0.443	41%	0.405	S	S	.	.	H	α-helix	trans	-60.8	-34.2	170.4	-74.9	161.4	-150.6	153.3	0	112.4	S807 N808 L809	S807-K811 WeakPolarHBondContact O-CD 3.38Å; S807-K811 WeakPolarHBondContact O-CE 3.39Å; S807-K811 WeakPolarHBondContact O-CG 3.32Å; S807-K811 PolarHBondContact O-N 3.34Å; S807-K811 PolarHBondContact O-NZ 3.35Å; S807-K811 PolarHBondContact OG-NZ 3.47Å; N808-K811 PolarHBondContact OD1-NZ 3.28Å; L809-K811 VanDerWaalsContact C-N 3.32Å; L809-K811 PolarHBondContact O-N 3.23Å
812	H	68.8	Low	60.1	Low	14 Å²	14	72.7 Å²	72.7	7%	0.065	41%	0.411	C	S	.	.	H	α-helix	trans	-83.9	-37.1	-176.1	167.3	54.6	0	0	0	113.5	C799 F803 N808 L809 L810 R814 I815 H816	C799-H812 VanDerWaalsContact SG-CE1 3.59Å; C799-H812 PolarHBondContact SG-NE2 2.9Å; F803-H812 HydrophobicContact CE1-CB 3.98Å; F803-H812 HydrophobicContact CE2-CB 3.82Å; F803-H812 AromaticContact CE2-CD2 3.25Å; F803-H812 WeakPolarHBondContact CE2-CD2 3.25Å; F803-H812 AromaticContact CE2-CG 3.61Å; F803-H812 HydrophobicContact CZ-CB 3.44Å; F803-H812 VanDerWaalsContact CZ-CB 3.44Å; F803-H812 AromaticContact CZ-CD2 3.39Å; F803-H812 WeakPolarHBondContact CZ-CD2 3.25Å; F803-H812 AromaticContact CZ-CG 3.27Å; N808-H812 WeakPolarHBondContact O-CB 3.45Å; N808-H812 PolarHBondContact O-N 3.09Å; L809-H812 CarbonylContact O-C 3.57Å; L809-H812 WeakPolarHBondContact O-CA 3.33Å; L809-H812 WeakPolarHBondContact O-CB 3.19Å; L809-H812 PolarHBondContact O-N 2.85Å; L810-H812 PolarHBondContact O-N 2.87Å; H812-R814 PolarHBondContact O-N 3.32Å; H812-I815 WeakPolarHBondContact O-CB 3.46Å; H812-I815 WeakPolarHBondContact O-CG1 3.47Å; H812-I815 PolarHBondContact O-N 3.3Å; H812-H816 AromaticContact CE1-CE1 3.54Å; H812-H816 AromaticContact CE1-NE2 3.25Å; H812-H816 PolarHBondContact CE1-NE2 2.85Å; H812-H816 AromaticContact NE2-CE1 3.76Å; H812-H816 AromaticContact NE2-NE2 3.09Å; H812-H816 PolarHBondContact NE2-NE2 3.46Å
813	Q	58.1	Low	58	Low	54 Å²	54	79.6 Å²	79.6	25%	0.252	44%	0.438	S	S	.	.	H	α-helix	trans	-61.9	-30.8	177.2	-67.6	179.2	-82.8	0	0	111.9	C796 E798 L809 I815 H816 L817	C796-Q813 HydrophobicContact CB-CG 4.4Å; E798-Q813 PolarHBondContact OE2-NE2 3.24Å; L809-Q813 HydrophobicContact CD1-CG 3.75Å; L809-Q813 HydrophobicContact CG-CG 4.26Å; L809-Q813 PolarHBondContact O-N 3.12Å; Q813-I815 PolarHBondContact O-N 2.83Å; Q813-H816 PolarHBondContact O-N 3.43Å; Q813-L817 PolarHBondContact O-N 3.15Å
814	R	64.9	Low	55.4	Low	93 Å²	93	83.7 Å²	83.7	35%	0.351	47%	0.471	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-0.4	169.6	-63.9	-172.6	-56.6	-145	1.5	115.3	H812	H812-R814 PolarHBondContact O-N 3.32Å
815	I	64.7	Low	53.1	Low	109 Å²	109	86.9 Å²	86.9	56%	0.559	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.9	-30	168.5	-56.6	-179.4	0	0	0	110.7	H812 Q813	H812-I815 WeakPolarHBondContact O-CB 3.46Å; H812-I815 WeakPolarHBondContact O-CG1 3.47Å; H812-I815 PolarHBondContact O-N 3.3Å; Q813-I815 PolarHBondContact O-N 2.83Å
816	H	66.5	Low	50.7	Low	69 Å²	69	93.3 Å²	93.3	32%	0.319	53%	0.527	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-38	177.2	-49.1	-52.7	0	0	0	111.1	C796 E798 C799 H812 Q813 G818	C796-H816 PolarHBondContact SG-NE2 3.39Å; E798-H816 HydrophobicContact CB-CB 4.33Å; E798-H816 HydrophobicContact CG-CB 4.45Å; E798-H816 IonicContact OE1-CD2 2.71Å; E798-H816 IonicContact OE1-CG 3.51Å; E798-H816 IonicContact OE2-CD2 3.59Å; E798-H816 PolarHBondContact OE2-CD2 3.37Å; C799-H816 PolarHBondContact SG-CE1 3.4Å; C799-H816 PolarHBondContact SG-NE2 3Å; C799-H816 VanDerWaalsContact SG-NE2 3.37Å; H812-H816 AromaticContact CE1-CE1 3.54Å; H812-H816 AromaticContact CE1-NE2 3.25Å; H812-H816 PolarHBondContact CE1-NE2 2.85Å; H812-H816 AromaticContact NE2-CE1 3.76Å; H812-H816 AromaticContact NE2-NE2 3.09Å; H812-H816 PolarHBondContact NE2-NE2 3.46Å; Q813-H816 PolarHBondContact O-N 3.43Å; H816-G818 PolarHBondContact O-N 3.26Å; H816-G818 VanDerWaalsContact O-N 3.16Å
817	L	54.4	Low	49.2	Very low	144 Å²	144	96.8 Å²	96.8	75%	0.754	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	12.4	169.3	-64.1	165	0	0	0	113.7	Q813	Q813-L817 PolarHBondContact O-N 3.15Å
818	G	42.7	Very low	47.2	Very low	39 Å²	39	98.3 Å²	98.3	40%	0.402	57%	0.571	S	S	.	*	S	Bend	trans	-146.3	69.7	-169.9	0	0	0	0	0	112.4	H816	H816-G818 PolarHBondContact O-N 3.26Å; H816-G818 VanDerWaalsContact O-N 3.16Å
819	G	30.5	Very low	44.9	Very low	74 Å²	74	99.8 Å²	99.8	76%	0.763	60%	0.597	S	S	*	*			trans	-61	133.9	-175.6	0	0	0	0	0	114.7
820	N	25.7	Very low	42.6	Very low	126 Å²	126	106.2 Å²	106.2	67%	0.674	63%	0.632	S	S	*	*			trans	63.8	101	167.4	-162.3	6.5	0	0	0	119	D822	N820-D822 PolarHBondContact OD1-N 3.3Å; N820-D822 VanDerWaalsContact OD1-N 3.1Å
821	P	37.8	Very low	40.8	Very low	121 Å²	121	112 Å²	112	79%	0.786	65%	0.653	S	S	*	*			trans	-107.7	32.8	170.7	41.2	-33.9	0	0	0	114.9
822	D	35.9	Very low	38.7	Very low	120 Å²	120	111.1 Å²	111.1	64%	0.642	67%	0.665	S	S	*	*			trans	-140.3	78	171	-95	-45.3	0	0	0	112.5	N820	N820-D822 PolarHBondContact OD1-N 3.3Å; N820-D822 VanDerWaalsContact OD1-N 3.1Å
823	Q	29.4	Very low	36.6	Very low	191 Å²	191	119.9 Å²	119.9	89%	0.893	71%	0.706	S	S	*	*			trans	-177.1	110.7	141.3	-107	172.9	102	0	0	111.4
824	C	23.6	Very low	34.9	Very low	131 Å²	131	122.6 Å²	122.6	89%	0.885	73%	0.731	S	S	*	*			trans	-165.3	117	143.3	-144	0	0	0	0	108.4
825	S	27.8	Very low	33.2	Very low	109 Å²	109	124 Å²	124	76%	0.762	75%	0.752	S	S	*	*			trans	-78.1	153.7	170.3	-64.7	0	0	0	0	109.9	P827	S825-P827 WeakPolarHBondContact O-CD 3.34Å
826	E	27.2	Very low	31.2	Very low	194 Å²	194	123.6 Å²	123.6	91%	0.907	76%	0.759	S	S	*	*			trans	-73.3	141.7	171	-51.5	-153.7	156.2	0	0	110.7
827	P	33.8	Very low	29	Very low	129 Å²	129	130.4 Å²	130.4	84%	0.838	79%	0.788	S	S	*	*			trans	-120.3	135.6	140.5	34.7	-27.1	0	0	0	110.7	S825	S825-P827 WeakPolarHBondContact O-CD 3.34Å
828	G	25.4	Very low	27.5	Very low	82 Å²	82	128.5 Å²	128.5	85%	0.845	79%	0.787	S	S	*	*			trans	-114.4	139.9	161.6	0	0	0	0	0	109.1
829	G	25.4	Very low	26.7	Very low	75 Å²	75	130.6 Å²	130.6	77%	0.773	80%	0.8	S	S	*	*			trans	159.3	112	-178.4	0	0	0	0	0	110.2
830	D	24	Very low	26.4	Very low	155 Å²	155	133.3 Å²	133.3	83%	0.829	79%	0.792	S	S	*	*			trans	-73	149.8	-173.4	-48.5	-92.7	0	0	0	113
831	F	23.1	Very low	26.2	Very low	221 Å²	221	139 Å²	139	97%	0.969	81%	0.805	S	S	*	*				-160.1	150.2	123.1	-108.2	-72.6	0	0	0	109.4
832	A	23.2	Very low	25.6	Very low	84 Å²	84	142.5 Å²	142.5	69%	0.694	80%	0.802	S	S	*	*			trans	-112.3	147.6	-168.2	0	0	0	0	0	113.2
833	Q	25.4	Very low	25	Very low	197 Å²	197	144 Å²	144	92%	0.921	81%	0.81	S	S	*	*				-174.6	140.1	127.6	-100.6	162.9	30.6	0	0	112.3
834	S	22.3	Very low	24.6	Very low	111 Å²	111	140.4 Å²	140.4	78%	0.776	81%	0.806	S	S	*	*			trans	-100.2	158.7	167.1	-50.4	0	0	0	0	109.1
835	P	28.1	Very low	24.5	Very low	123 Å²	123	139.4 Å²	139.4	80%	0.799	80%	0.796	S	S	*	*				-132.9	142.6	81.7	16.9	4.7	0	0	0	112.5
836	S	22.6	Very low	24.3	Very low	100 Å²	100	142 Å²	142	70%	0.699	80%	0.796	S	S	*	*				67.7	102.3	57.3	-178.1	0	0	0	0	114.5
837	F	21.7	Very low	24.2	Very low	212 Å²	212	140.8 Å²	140.8	93%	0.93	79%	0.791	S	S	*	*			trans	-137.2	160.9	148.3	-114.4	-83.6	0	0	0	110.3
838	S	22.8	Very low	23.6	Very low	105 Å²	105	140.3 Å²	140.3	73%	0.734	79%	0.785	S	S	*	*			trans	-129.6	-163.5	-152	63.4	0	0	0	0	114.4
839	A	24.2	Very low	23.4	Very low	82 Å²	82	141.5 Å²	141.5	68%	0.678	78%	0.781	S	S	*	*			trans	75	113.9	-170.9	0	0	0	0	0	114.2
840	H	24.5	Very low	23.8	Very low	131 Å²	131	143.7 Å²	143.7	61%	0.606	78%	0.782	S	S	*	*			cis	67.5	99.6	38.2	-168.6	-49.6	0	0	0	113.8	R842	H840-R842 PolarHBondContact NE2-NH2 3.29Å; H840-R842 VanDerWaalsContact NE2-NH2 3.17Å
841	W	22.3	Very low	23.8	Very low	247 Å²	247	144.9 Å²	144.9	94%	0.936	78%	0.782	S	S	*	*			trans	-132.8	155.3	156.2	-83.7	102.9	0	0	0	110.8
842	R	25	Very low	23.8	Very low	194 Å²	194	141.6 Å²	141.6	73%	0.732	77%	0.77	S	S	*	*			trans	-134.9	149.5	-171.7	-159.3	-178.5	-61.9	-161	4.9	109.2	H840	H840-R842 PolarHBondContact NE2-NH2 3.29Å; H840-R842 VanDerWaalsContact NE2-NH2 3.17Å
843	N	23.9	Very low	24.3	Very low	150 Å²	150	143 Å²	143	80%	0.802	77%	0.772	S	S	*	*			trans	-60.5	154.9	-170.7	-42.8	-11.4	0	0	0	113.9
844	S	21	Very low	24.3	Very low	116 Å²	116	141 Å²	141	81%	0.811	76%	0.763	S	S	*	*				-171.8	170.8	110.1	-100.4	0	0	0	0	114.6
845	T	20.7	Very low	24.5	Very low	110 Å²	110	141.2 Å²	141.2	68%	0.675	76%	0.764	S	S	*	*			trans	-58.3	170.8	173.8	43.3	0	0	0	0	114.9
846	E	24.6	Very low	24.4	Very low	165 Å²	165	141.1 Å²	141.1	77%	0.771	76%	0.755	S	S	*	*			cis	-163.3	172.5	9	-127.6	150	-179.7	0	0	113.6
847	E	24.3	Very low	24.8	Very low	168 Å²	168	146.6 Å²	146.6	79%	0.785	76%	0.761	S	S	*	*			trans	82.3	150	141.5	-83.3	-76.8	71.6	0	0	125.8
848	T	21.1	Very low	25.2	Very low	118 Å²	118	144.2 Å²	144.2	72%	0.724	75%	0.75	S	S	*	*			trans	77.2	122.2	161.1	-49.6	0	0	0	0	120.5
849	S	20.4	Very low	25.5	Very low	108 Å²	108	144.2 Å²	144.2	76%	0.755	74%	0.742	S	S	*	*			trans	-120.6	165.8	160.2	-54.5	0	0	0	0	109.6
850	P	34.9	Very low	25.8	Very low	121 Å²	121	147 Å²	147	79%	0.786	74%	0.744	S	S	*	*				-135.5	-158.8	84	29.9	-7.6	0	0	0	110.6
851	E	22.8	Very low	25.9	Very low	179 Å²	179	147.1 Å²	147.1	84%	0.836	75%	0.749	S	S	*	*			cis	-141	-169.3	12.7	-63.9	-176.4	93.8	0	0	112.5
852	Q	23.2	Very low	26.1	Very low	152 Å²	152	141.2 Å²	141.2	71%	0.71	75%	0.746	S	S	*	*			trans	-143.8	-171.1	173	-72.1	-162.8	-36.3	0	0	107.6
853	P	34.2	Very low	26.6	Very low	114 Å²	114	138 Å²	138	74%	0.74	75%	0.751	S	S	*	*			cis	-124.2	149.1	-3.7	20.5	4.7	0	0	0	114.8
854	Q	26.8	Very low	26.7	Very low	156 Å²	156	133.4 Å²	133.4	73%	0.729	74%	0.738	S	S	*	*				53.1	117.3	85.9	-58.6	-167.4	3.2	0	0	118.3
855	S	25.5	Very low	27.3	Very low	115 Å²	115	134.5 Å²	134.5	80%	0.804	74%	0.742	S	S	*	*			trans	-174.9	134.2	150.7	-176.9	0	0	0	0	111.4
856	I	26.7	Very low	27.6	Very low	121 Å²	121	137.8 Å²	137.8	62%	0.621	75%	0.75	S	S	*	*			cis	-164.5	134	-27.1	-126.6	162.4	0	0	0	110.5
857	R	29.9	Very low	27.7	Very low	215 Å²	215	135.1 Å²	135.1	81%	0.811	75%	0.75	S	S	*	*			trans	56.9	161.2	153.6	-60.6	169.7	-169.7	-166.7	1.8	118.3
858	K	31.5	Very low	27.9	Very low	162 Å²	162	133.7 Å²	133.7	70%	0.704	75%	0.752	S	S	*	*			cis	-163.4	170.2	-21	-111.9	-179.2	161.3	-76.8	0	105
859	D	28.5	Very low	28.4	Very low	105 Å²	105	135.3 Å²	135.3	56%	0.561	76%	0.757	S	S	*	*			cis	-150.9	-161.4	3.9	-131.1	-14.5	0	0	0	107.8
860	L	29.8	Very low	28.7	Very low	140 Å²	140	134.9 Å²	134.9	73%	0.733	75%	0.754	S	S	*	*			cis	-148.4	-146.8	8.3	-138.6	154.5	0	0	0	109.7
861	N	26.5	Very low	29.1	Very low	133 Å²	133	133 Å²	133	71%	0.711	76%	0.756	S	S	*	*			trans	-110.9	148.7	-168.9	-65.1	-41.4	0	0	0	115.6
862	S	26.1	Very low	30.5	Very low	123 Å²	123	132.6 Å²	132.6	86%	0.86	75%	0.754	S	S	*	*				-156.6	130.8	122.9	-81.1	0	0	0	0	110.5
863	P	36	Very low	31.8	Very low	128 Å²	128	133.8 Å²	133.8	83%	0.831	76%	0.757	S	S	*	*			trans	-103.4	152.3	-168	38	-34.6	0	0	0	115.4
864	G	25.5	Very low	33.3	Very low	53 Å²	53	133.1 Å²	133.1	55%	0.546	75%	0.747	S	S	.	*			trans	-98.6	162.7	170.1	0	0	0	0	0	113.9	H866	G864-H866 PolarHBondContact O-N 3.45Å
865	P	35.2	Very low	35.5	Very low	138 Å²	138	129.9 Å²	129.9	90%	0.896	73%	0.729	S	S	*	*			trans	-83.5	114.3	-171.2	31.6	-34.5	0	0	0	113.8
866	H	26.6	Very low	37.8	Very low	180 Å²	180	130.2 Å²	130.2	83%	0.833	72%	0.717	S	S	*	*			trans	-94.2	113.5	171.8	-73.2	-89.7	0	0	0	112	G864	G864-H866 PolarHBondContact O-N 3.45Å
867	S	27.1	Very low	40.3	Very low	109 Å²	109	124.5 Å²	124.5	76%	0.762	69%	0.688	S	S	*	*			trans	-83	119.4	171.5	-175.8	0	0	0	0	111	N869	S867-N869 PolarHBondContact O-N 3.39Å; S867-N869 VanDerWaalsContact O-N 3.07Å
868	T	27	Very low	42.3	Very low	137 Å²	137	119.1 Å²	119.1	84%	0.84	68%	0.683	S	S	*	*			trans	-79.2	89.2	-173	50	0	0	0	0	113	S870	T868-S870 PolarHBondContact O-N 3.19Å
869	N	32.5	Very low	44.1	Very low	153 Å²	153	116.4 Å²	116.4	82%	0.818	67%	0.673	S	S	*	*			trans	-72.9	113.4	167.1	-79.2	-45.4	0	0	0	111.3	S867	S867-N869 PolarHBondContact O-N 3.39Å; S867-N869 VanDerWaalsContact O-N 3.07Å
870	S	26.8	Very low	46.2	Very low	99 Å²	99	114 Å²	114	69%	0.692	66%	0.664	S	S	*	*			trans	-96.2	106.9	166.7	67.7	0	0	0	0	110.3	T868	T868-S870 PolarHBondContact O-N 3.19Å
871	G	43.3	Very low	48	Very low	81 Å²	81	109.3 Å²	109.3	84%	0.835	65%	0.649	S	S	*	*			trans	-55	135.8	-157.1	0	0	0	0	0	118.9
872	E	52.7	Low	50	Low	170 Å²	170	110.8 Å²	110.8	79%	0.794	65%	0.645	S	S	*	*			trans	-109.7	125.2	152.2	-71.8	-166.6	156.9	0	0	109	L874	E872-L874 PolarHBondContact O-N 3.46Å
873	K	50.8	Low	52	Low	177 Å²	177	108.3 Å²	108.3	77%	0.77	63%	0.627	S	S	*	*			trans	-72.5	112.7	-176.4	-167.4	167.7	-175.1	170.1	0	110.6	Y875	K873-Y875 VanDerWaalsContact O-CD2 3.28Å; K873-Y875 WeakPolarHBondContact O-CD2 3.46Å; K873-Y875 WeakPolarHBondContact O-CE2 3.05Å
874	L	65.1	Low	53.9	Low	101 Å²	101	104.3 Å²	104.3	53%	0.529	60%	0.597	S	S	.	*			trans	-71.5	143.5	171.5	-70	174.9	0	0	0	110.6	E872	E872-L874 PolarHBondContact O-N 3.46Å
875	Y	72.4	Confident	56	Low	88 Å²	88	105 Å²	105	35%	0.345	59%	0.594	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-108.5	93.8	-178.6	-67.7	-84.4	0	0	0	109.5	K873 F884 S887	K873-Y875 VanDerWaalsContact O-CD2 3.28Å; K873-Y875 WeakPolarHBondContact O-CD2 3.46Å; K873-Y875 WeakPolarHBondContact O-CE2 3.05Å; Y875-F884 PolarHBondContact N-O 2.86Å; Y875-F884 PolarHBondContact O-N 3.42Å; Y875-S887 VanDerWaalsContact CD2-N 3.26Å
876	Q	73.6	Confident	58	Low	122 Å²	122	104.9 Å²	104.9	57%	0.57	58%	0.579	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-85.9	141.1	179.6	-165.8	172.9	18	0	0	111.7	G881 L890	Q876-G881 WeakPolarHBondContact CG-O 3.37Å; Q876-G881 PolarHBondContact NE2-O 2.75Å; Q876-L890 WeakPolarHBondContact O-CD2 3.47Å
877	C	79.1	Confident	60.3	Low	1 Å²	1	98.8 Å²	98.8	1%	0.007	56%	0.556	C	S	.	*			trans	-79.9	121.2	169.5	-179.5	0	0	0	0	110.2	E879 G881 R882 F884 L890 H897	C877-E879 VanDerWaalsContact C-N 3.27Å; C877-E879 PolarHBondContact O-N 3.02Å; C877-G881 VanDerWaalsContact O-CA 3.27Å; C877-G881 WeakPolarHBondContact O-CA 3.19Å; C877-G881 PolarHBondContact O-N 3.48Å; C877-R882 PolarHBondContact N-O 3.12Å; C877-F884 HydrophobicContact CB-CE2 4.4Å; C877-L890 VanDerWaalsContact CA-CD1 3.5Å; C877-L890 HydrophobicContact CB-CD1 3.56Å; C877-H897 VanDerWaalsContact SG-CD2 3.59Å; C877-H897 PolarHBondContact SG-NE2 2.81Å
878	S	72.8	Confident	62.6	Low	101 Å²	101	97.3 Å²	97.3	71%	0.706	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-37.2	174.8	35.8	0	0	0	0	113.4
879	E	69.6	Low	64.9	Low	105 Å²	105	92.7 Å²	92.7	49%	0.491	52%	0.522	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-20.1	-168.3	-64.8	144.7	-90.3	0	0	114	C877 H897	C877-E879 VanDerWaalsContact C-N 3.27Å; C877-E879 PolarHBondContact O-N 3.02Å; E879-H897 IonicContact OE1-CD2 3.17Å; E879-H897 WeakPolarHBondContact OE2-CB 3.36Å; E879-H897 IonicContact OE2-CD2 3.77Å; E879-H897 IonicContact OE2-CG 3.9Å
880	C	71.3	Confident	67.2	Low	56 Å²	56	86.1 Å²	86.1	38%	0.378	49%	0.487	S	S	.	.	T	Hydrogen-bonded Turn	trans	-143	16.3	-179.8	82.8	0	0	0	0	114.4	R882 H893	C880-R882 PolarHBondContact O-N 3.39Å; C880-H893 PolarHBondContact SG-NE2 3.33Å
881	G	68.4	Low	69.6	Low	40 Å²	40	85.3 Å²	85.3	41%	0.412	47%	0.474	S	S	.	.			trans	65.6	-4.8	175.6	0	0	0	0	0	116.9	Q876 C877 S883	Q876-G881 WeakPolarHBondContact CG-O 3.37Å; Q876-G881 PolarHBondContact NE2-O 2.75Å; C877-G881 VanDerWaalsContact O-CA 3.27Å; C877-G881 WeakPolarHBondContact O-CA 3.19Å; C877-G881 PolarHBondContact O-N 3.48Å; G881-S883 PolarHBondContact O-N 3.12Å
882	R	67.3	Low	71.1	Confident	164 Å²	164	82.7 Å²	82.7	62%	0.619	44%	0.442	S	S	*	.			trans	-68.3	126.6	-173.7	-78	-177.2	169	175.5	-0.1	112	C877 C880 F884	C877-R882 PolarHBondContact N-O 3.12Å; C880-R882 PolarHBondContact O-N 3.39Å; R882-F884 HydrophobicContact CB-CE2 3.62Å; R882-F884 HydrophobicContact CB-CZ 3.95Å; R882-F884 VanDerWaalsContact O-CD2 3.3Å; R882-F884 WeakPolarHBondContact O-CD2 3.43Å; R882-F884 VanDerWaalsContact O-CE2 3.24Å; R882-F884 WeakPolarHBondContact O-CE2 3.21Å
883	S	69.9	Low	72.2	Confident	71 Å²	71	75.2 Å²	75.2	50%	0.497	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	126.7	-179.2	-68.9	0	0	0	0	113	G881	G881-S883 PolarHBondContact O-N 3.12Å
884	F	75.7	Confident	73.3	Confident	44 Å²	44	69.4 Å²	69.4	19%	0.193	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	139.5	-178.8	-62.4	-92.1	0	0	0	111.4	Y875 C877 R882 K886 A889 L890 H893	Y875-F884 PolarHBondContact N-O 2.86Å; Y875-F884 PolarHBondContact O-N 3.42Å; C877-F884 HydrophobicContact CB-CE2 4.4Å; R882-F884 HydrophobicContact CB-CE2 3.62Å; R882-F884 HydrophobicContact CB-CZ 3.95Å; R882-F884 VanDerWaalsContact O-CD2 3.3Å; R882-F884 WeakPolarHBondContact O-CD2 3.43Å; R882-F884 VanDerWaalsContact O-CE2 3.24Å; R882-F884 WeakPolarHBondContact O-CE2 3.21Å; F884-K886 PolarHBondContact O-N 2.69Å; F884-A889 HydrophobicContact CB-CB 4.17Å; F884-A889 HydrophobicContact CD1-CB 3.93Å; F884-A889 HydrophobicContact CG-CB 4.38Å; F884-L890 HydrophobicContact CB-CB 4.11Å; F884-L890 HydrophobicContact CD2-CB 4Å; F884-L890 HydrophobicContact CD2-CD1 3.87Å; F884-L890 HydrophobicContact CE2-CD1 4.19Å; F884-L890 HydrophobicContact CG-CB 4.21Å; F884-H893 HydrophobicContact CE1-CB 4.02Å; F884-H893 HydrophobicContact CE2-CB 4.08Å; F884-H893 AromaticContact CE2-CD2 3.15Å; F884-H893 WeakPolarHBondContact CE2-CD2 3.24Å; F884-H893 AromaticContact CE2-CG 3.76Å; F884-H893 AromaticContact CE2-NE2 3.91Å; F884-H893 HydrophobicContact CZ-CB 3.61Å; F884-H893 AromaticContact CZ-CD2 3.21Å; F884-H893 WeakPolarHBondContact CZ-CD2 3.15Å; F884-H893 AromaticContact CZ-CG 3.34Å; F884-H893 AromaticContact CZ-NE2 3.89Å
885	S	68.5	Low	73.9	Confident	69 Å²	69	67 Å²	67	48%	0.483	37%	0.367	S	S	.	.	S	Bend	trans	-80.4	8.6	177.8	58.4	0	0	0	0	114.6
886	K	76.7	Confident	73.9	Confident	135 Å²	135	68 Å²	68	59%	0.587	38%	0.377	S	S	*	.	S	Bend	trans	-152.9	138.4	175.3	-64.7	-166.8	176.3	-165.3	0	109.9	F884 S888 A889 L890	F884-K886 PolarHBondContact O-N 2.69Å; K886-S888 VanDerWaalsContact C-N 3.31Å; K886-S888 PolarHBondContact O-N 3.33Å; K886-A889 HydrophobicContact CB-CB 4.16Å; K886-A889 WeakPolarHBondContact O-CB 3.43Å; K886-A889 PolarHBondContact O-N 3.33Å; K886-L890 PolarHBondContact O-N 2.91Å; K886-L890 VanDerWaalsContact O-N 3.12Å
887	S	76	Confident	73.8	Confident	51 Å²	51	65.7 Å²	65.7	36%	0.357	37%	0.366	S	S	.	.	H	α-helix	trans	-53.6	-45.4	172.1	51.3	0	0	0	0	112.4	Y875 A889 L890 I891	Y875-S887 VanDerWaalsContact CD2-N 3.26Å; S887-A889 PolarHBondContact O-N 2.95Å; S887-L890 WeakPolarHBondContact O-CB 3.38Å; S887-L890 PolarHBondContact O-N 2.81Å; S887-L890 VanDerWaalsContact O-N 3.09Å; S887-I891 WeakPolarHBondContact O-CG1 3.36Å; S887-I891 PolarHBondContact O-N 3.37Å
888	S	76	Confident	73.4	Confident	78 Å²	78	69.1 Å²	69.1	55%	0.545	39%	0.388	S	S	.	.	H	α-helix	trans	-64.1	-24.3	178.3	56.6	0	0	0	0	114.2	K886 S892	K886-S888 VanDerWaalsContact C-N 3.31Å; K886-S888 PolarHBondContact O-N 3.33Å; S888-S892 WeakPolarHBondContact O-CB 3.34Å; S888-S892 PolarHBondContact O-N 3.15Å; S888-S892 VanDerWaalsContact O-N 3.15Å
889	A	75.3	Confident	73.3	Confident	40 Å²	40	66.3 Å²	66.3	33%	0.331	37%	0.374	S	S	.	.	H	α-helix	trans	-80.3	-35.9	173	0	0	0	0	0	111.9	F884 K886 S887 H893	F884-A889 HydrophobicContact CB-CB 4.17Å; F884-A889 HydrophobicContact CD1-CB 3.93Å; F884-A889 HydrophobicContact CG-CB 4.38Å; K886-A889 HydrophobicContact CB-CB 4.16Å; K886-A889 WeakPolarHBondContact O-CB 3.43Å; K886-A889 PolarHBondContact O-N 3.33Å; S887-A889 PolarHBondContact O-N 2.95Å; A889-H893 WeakPolarHBondContact O-CB 3.49Å; A889-H893 PolarHBondContact O-N 3.48Å
890	L	79.9	Confident	73.4	Confident	16 Å²	16	65.9 Å²	65.9	8%	0.084	37%	0.372	C	S	.	.	H	α-helix	trans	-63.6	-52.5	169.5	171.4	61.5	0	0	0	111.1	Q876 C877 F884 K886 S887 S892 H893 Q894	Q876-L890 WeakPolarHBondContact O-CD2 3.47Å; C877-L890 VanDerWaalsContact CA-CD1 3.5Å; C877-L890 HydrophobicContact CB-CD1 3.56Å; F884-L890 HydrophobicContact CB-CB 4.11Å; F884-L890 HydrophobicContact CD2-CB 4Å; F884-L890 HydrophobicContact CD2-CD1 3.87Å; F884-L890 HydrophobicContact CE2-CD1 4.19Å; F884-L890 HydrophobicContact CG-CB 4.21Å; K886-L890 PolarHBondContact O-N 2.91Å; K886-L890 VanDerWaalsContact O-N 3.12Å; S887-L890 WeakPolarHBondContact O-CB 3.38Å; S887-L890 PolarHBondContact O-N 2.81Å; S887-L890 VanDerWaalsContact O-N 3.09Å; L890-S892 VanDerWaalsContact C-N 3.3Å; L890-S892 PolarHBondContact O-N 3.5Å; L890-H893 CarbonylContact O-C 3.16Å; L890-H893 WeakPolarHBondContact O-CA 3.06Å; L890-H893 WeakPolarHBondContact O-CB 3.29Å; L890-H893 PolarHBondContact O-N 3.46Å; L890-Q894 HydrophobicContact CD1-CG 3.83Å; L890-Q894 HydrophobicContact CG-CG 4.21Å; L890-Q894 PolarHBondContact O-N 3.19Å
891	I	77.4	Confident	73.8	Confident	82 Å²	82	69.3 Å²	69.3	42%	0.421	38%	0.381	S	S	.	.	H	α-helix	trans	-58	-45.2	-179.4	-66.2	161.6	0	0	0	110.2	S887 H893 Q894 R895	S887-I891 WeakPolarHBondContact O-CG1 3.36Å; S887-I891 PolarHBondContact O-N 3.37Å; I891-H893 PolarHBondContact O-N 2.8Å; I891-H893 VanDerWaalsContact O-N 3.12Å; I891-Q894 PolarHBondContact O-N 3.2Å; I891-R895 WeakPolarHBondContact O-CG 3.49Å; I891-R895 PolarHBondContact O-N 2.77Å
892	S	74.3	Confident	74.2	Confident	25 Å²	25	70.7 Å²	70.7	18%	0.175	38%	0.382	C	S	.	.	H	α-helix	trans	-67	-9.7	175.4	-176.9	0	0	0	0	114.5	S888 L890 K914	S888-S892 WeakPolarHBondContact O-CB 3.34Å; S888-S892 PolarHBondContact O-N 3.15Å; S888-S892 VanDerWaalsContact O-N 3.15Å; L890-S892 VanDerWaalsContact C-N 3.3Å; L890-S892 PolarHBondContact O-N 3.5Å; S892-K914 WeakPolarHBondContact OG-CE 3.28Å
893	H	75.9	Confident	74.9	Confident	13 Å²	13	66.7 Å²	66.7	6%	0.06	37%	0.368	C	S	.	.	H	α-helix	trans	-101.1	-35.9	173.8	166.2	55.8	0	0	0	112.4	C880 F884 A889 L890 I891 R895 I896 H897	C880-H893 PolarHBondContact SG-NE2 3.33Å; F884-H893 HydrophobicContact CE1-CB 4.02Å; F884-H893 HydrophobicContact CE2-CB 4.08Å; F884-H893 AromaticContact CE2-CD2 3.15Å; F884-H893 WeakPolarHBondContact CE2-CD2 3.24Å; F884-H893 AromaticContact CE2-CG 3.76Å; F884-H893 AromaticContact CE2-NE2 3.91Å; F884-H893 HydrophobicContact CZ-CB 3.61Å; F884-H893 AromaticContact CZ-CD2 3.21Å; F884-H893 WeakPolarHBondContact CZ-CD2 3.15Å; F884-H893 AromaticContact CZ-CG 3.34Å; F884-H893 AromaticContact CZ-NE2 3.89Å; A889-H893 WeakPolarHBondContact O-CB 3.49Å; A889-H893 PolarHBondContact O-N 3.48Å; L890-H893 CarbonylContact O-C 3.16Å; L890-H893 WeakPolarHBondContact O-CA 3.06Å; L890-H893 WeakPolarHBondContact O-CB 3.29Å; L890-H893 PolarHBondContact O-N 3.46Å; I891-H893 PolarHBondContact O-N 2.8Å; I891-H893 VanDerWaalsContact O-N 3.12Å; H893-R895 PolarHBondContact O-N 3.11Å; H893-I896 WeakPolarHBondContact O-CB 3.41Å; H893-I896 WeakPolarHBondContact O-CG1 3.44Å; H893-I896 PolarHBondContact O-N 3.39Å; H893-H897 AromaticContact CE1-CE1 3.59Å; H893-H897 AromaticContact CE1-NE2 3.47Å; H893-H897 PolarHBondContact CE1-NE2 3.42Å; H893-H897 AromaticContact NE2-CE1 3.89Å; H893-H897 AromaticContact NE2-NE2 3.35Å; H893-H897 PolarHBondContact NE2-NE2 3.16Å
894	Q	74.4	Confident	75.4	Confident	56 Å²	56	68.9 Å²	68.9	26%	0.262	37%	0.37	S	S	.	.	H	α-helix	trans	-58	-34.9	171.5	-71.8	173	-65.6	0	0	111.3	L890 I891 I896 H897 T898	L890-Q894 HydrophobicContact CD1-CG 3.83Å; L890-Q894 HydrophobicContact CG-CG 4.21Å; L890-Q894 PolarHBondContact O-N 3.19Å; I891-Q894 PolarHBondContact O-N 3.2Å; Q894-I896 PolarHBondContact O-N 3.35Å; Q894-H897 PolarHBondContact O-N 3.33Å; Q894-T898 PolarHBondContact O-N 3.19Å; Q894-T898 PolarHBondContact O-OG1 2.93Å
895	R	78.5	Confident	75.9	Confident	49 Å²	49	66.8 Å²	66.8	19%	0.185	36%	0.361	C	S	.	.	H	α-helix	trans	-58	-7.7	168.4	-68.8	-174.4	178.6	164.3	2.6	116.1	I891 H893 E900 S913	I891-R895 WeakPolarHBondContact O-CG 3.49Å; I891-R895 PolarHBondContact O-N 2.77Å; H893-R895 PolarHBondContact O-N 3.11Å; R895-E900 HydrophobicContact CB-CB 4.12Å; R895-E900 HydrophobicContact CG-CB 3.78Å; R895-E900 IonicContact NE-OE2 3.35Å; R895-S913 PolarHBondContact NH1-O 3.23Å
896	I	71.4	Confident	76.4	Confident	109 Å²	109	68.4 Å²	68.4	56%	0.559	38%	0.379	S	S	*	.	H	α-helix	trans	-83.5	-39	170.5	-56.6	-178.9	0	0	0	109.7	H893 Q894	H893-I896 WeakPolarHBondContact O-CB 3.41Å; H893-I896 WeakPolarHBondContact O-CG1 3.44Å; H893-I896 PolarHBondContact O-N 3.39Å; Q894-I896 PolarHBondContact O-N 3.35Å
897	H	71.8	Confident	76.5	Confident	74 Å²	74	67.1 Å²	67.1	34%	0.343	38%	0.375	S	S	.	.	H	α-helix	trans	-80.8	-45.3	179.6	-47.2	-44.9	0	0	0	111.7	C877 E879 H893 Q894 G899	C877-H897 VanDerWaalsContact SG-CD2 3.59Å; C877-H897 PolarHBondContact SG-NE2 2.81Å; E879-H897 IonicContact OE1-CD2 3.17Å; E879-H897 WeakPolarHBondContact OE2-CB 3.36Å; E879-H897 IonicContact OE2-CD2 3.77Å; E879-H897 IonicContact OE2-CG 3.9Å; H893-H897 AromaticContact CE1-CE1 3.59Å; H893-H897 AromaticContact CE1-NE2 3.47Å; H893-H897 PolarHBondContact CE1-NE2 3.42Å; H893-H897 AromaticContact NE2-CE1 3.89Å; H893-H897 AromaticContact NE2-NE2 3.35Å; H893-H897 PolarHBondContact NE2-NE2 3.16Å; Q894-H897 PolarHBondContact O-N 3.33Å; H897-G899 PolarHBondContact O-N 3.4Å
898	T	70.1	Confident	76.7	Confident	74 Å²	74	66.9 Å²	66.9	45%	0.454	37%	0.373	S	S	.	.	S	Bend	trans	-73.2	-3.6	176.4	67.8	0	0	0	0	113.5	Q894 E900	Q894-T898 PolarHBondContact O-N 3.19Å; Q894-T898 PolarHBondContact O-OG1 2.93Å; T898-E900 PolarHBondContact O-N 3.18Å; T898-E900 WeakPolarHBondContact OG1-CB 3.2Å; T898-E900 WeakPolarHBondContact OG1-CG 3.14Å; T898-E900 PolarHBondContact OG1-OE1 3.45Å
899	G	71.4	Confident	76.8	Confident	41 Å²	41	65.3 Å²	65.3	42%	0.423	37%	0.369	S	S	.	.			trans	66.7	-4.6	-176.8	0	0	0	0	0	115.6	H897 K901	H897-G899 PolarHBondContact O-N 3.4Å; G899-K901 WeakPolarHBondContact O-CG 3.44Å; G899-K901 PolarHBondContact O-N 3.14Å
900	E	71.7	Confident	77	Confident	96 Å²	96	69.1 Å²	69.1	45%	0.449	38%	0.378	S	S	.	.			trans	-52.7	126.7	-174.3	-91.1	178	-134.3	0	0	113.7	R895 T898 P902 S913	R895-E900 HydrophobicContact CB-CB 4.12Å; R895-E900 HydrophobicContact CG-CB 3.78Å; R895-E900 IonicContact NE-OE2 3.35Å; T898-E900 PolarHBondContact O-N 3.18Å; T898-E900 WeakPolarHBondContact OG1-CB 3.2Å; T898-E900 WeakPolarHBondContact OG1-CG 3.14Å; T898-E900 PolarHBondContact OG1-OE1 3.45Å; E900-P902 HydrophobicContact CB-CG 4.5Å; E900-S913 WeakPolarHBondContact O-CB 3.1Å
901	K	79.4	Confident	77	Confident	129 Å²	129	70.1 Å²	70.1	56%	0.561	39%	0.386	S	S	*	.			trans	-129.1	70.1	179.4	-74.6	154.3	179.2	169.7	0	111.6	G899 Y903 S911 F912	G899-K901 WeakPolarHBondContact O-CG 3.44Å; G899-K901 PolarHBondContact O-N 3.14Å; K901-Y903 PolarHBondContact O-N 2.83Å; K901-S911 WeakPolarHBondContact CD-O 3.39Å; K901-S911 WeakPolarHBondContact CG-O 3.39Å; K901-S911 VanDerWaalsContact O-CB 3.28Å; K901-S911 WeakPolarHBondContact O-CB 3.42Å; K901-F912 CarbonylContact C-O 3.57Å; K901-F912 VanDerWaalsContact CA-O 3.32Å; K901-F912 WeakPolarHBondContact CA-O 3.41Å
902	P	77.7	Confident	77.2	Confident	69 Å²	69	68.7 Å²	68.7	45%	0.448	38%	0.377	S	S	.	.			trans	-73.4	5.3	-169.8	-20.1	36.5	0	0	0	115.9	E900	E900-P902 HydrophobicContact CB-CG 4.5Å
903	Y	79.9	Confident	77.2	Confident	79 Å²	79	69 Å²	69	31%	0.31	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	89.1	-178.6	-54.5	-71.5	0	0	0	109.8	K901 S911 F912 S913	K901-Y903 PolarHBondContact O-N 2.83Å; Y903-S911 WeakPolarHBondContact O-CA 3.45Å; Y903-F912 WeakPolarHBondContact CB-O 3.28Å; Y903-F912 WeakPolarHBondContact CD2-O 3.25Å; Y903-F912 PolarHBondContact N-O 3.41Å; Y903-F912 VanDerWaalsContact N-O 3.11Å; Y903-F912 PolarHBondContact O-N 3.02Å; Y903-S913 WeakPolarHBondContact CE2-O 3.44Å
904	E	81.9	Confident	77.2	Confident	117 Å²	117	72.7 Å²	72.7	55%	0.547	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	144.3	-179.7	-168.9	157.8	148.2	0	0	113.5	S911 L918	E904-S911 WeakPolarHBondContact CG-OG 3.5Å; E904-S911 PolarHBondContact OE2-OG 2.96Å; E904-L918 WeakPolarHBondContact O-CD2 3.46Å
905	C	85.8	Confident	77.4	Confident	0 Å²	0	73.2 Å²	73.2	0%	0	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	103.1	173	-164.7	0	0	0	0	110.4	E907 C908 G909 K910 F912 L918 H925	C905-E907 PolarHBondContact O-N 3.37Å; C905-C908 PolarHBondContact O-N 2.85Å; C905-G909 PolarHBondContact O-N 3.29Å; C905-K910 WeakPolarHBondContact CB-O 3.28Å; C905-K910 PolarHBondContact N-O 3.4Å; C905-F912 HydrophobicContact CB-CE2 4.49Å; C905-L918 HydrophobicContact CB-CD1 3.52Å; C905-H925 VanDerWaalsContact SG-CD2 3.57Å; C905-H925 PolarHBondContact SG-NE2 2.95Å
906	A	79.3	Confident	77.4	Confident	104 Å²	104	74.4 Å²	74.4	86%	0.86	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.3	-29.6	179.9	0	0	0	0	0	114.1	C908	A906-C908 VanDerWaalsContact C-N 3.34Å; A906-C908 PolarHBondContact O-N 3.37Å
907	E	78.9	Confident	77.8	Confident	107 Å²	107	72 Å²	72	50%	0.5	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-14.3	179.7	-62.5	167.1	115.3	0	0	114.2	C905 H925	C905-E907 PolarHBondContact O-N 3.37Å; E907-H925 WeakPolarHBondContact OE1-CB 3.22Å; E907-H925 IonicContact OE2-CD2 2.66Å; E907-H925 PolarHBondContact OE2-CD2 3.15Å; E907-H925 IonicContact OE2-CG 2.73Å
908	C	80.1	Confident	78.3	Confident	46 Å²	46	69.4 Å²	69.4	31%	0.311	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-159.1	15.8	-177.1	77	0	0	0	0	117	C905 A906 K910 H921 H925	C905-C908 PolarHBondContact O-N 2.85Å; A906-C908 VanDerWaalsContact C-N 3.34Å; A906-C908 PolarHBondContact O-N 3.37Å; C908-K910 PolarHBondContact O-N 3.17Å; C908-H921 PolarHBondContact SG-NE2 3.34Å; C908-H925 PolarHBondContact SG-NE2 2.92Å; C908-H925 VanDerWaalsContact SG-NE2 3.38Å
909	G	77.8	Confident	78.8	Confident	45 Å²	45	67.7 Å²	67.7	46%	0.464	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.9	17.4	178.1	0	0	0	0	0	115.7	C905	C905-G909 PolarHBondContact O-N 3.29Å
910	K	79.6	Confident	79.3	Confident	120 Å²	120	68 Å²	68	52%	0.522	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	115.7	-178.4	-73.7	175.5	-170.7	159.7	0	110.1	C905 C908 F912	C905-K910 WeakPolarHBondContact CB-O 3.28Å; C905-K910 PolarHBondContact N-O 3.4Å; C908-K910 PolarHBondContact O-N 3.17Å; K910-F912 HydrophobicContact CB-CE2 3.92Å; K910-F912 HydrophobicContact CB-CZ 4.18Å; K910-F912 VanDerWaalsContact O-CD2 3.3Å; K910-F912 WeakPolarHBondContact O-CD2 3.22Å; K910-F912 WeakPolarHBondContact O-CE2 3.41Å
911	S	80.5	Confident	79.7	Confident	38 Å²	38	64.8 Å²	64.8	27%	0.266	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	138.4	-174.9	-28.7	0	0	0	0	111.8	K901 Y903 E904	K901-S911 WeakPolarHBondContact CD-O 3.39Å; K901-S911 WeakPolarHBondContact CG-O 3.39Å; K901-S911 VanDerWaalsContact O-CB 3.28Å; K901-S911 WeakPolarHBondContact O-CB 3.42Å; Y903-S911 WeakPolarHBondContact O-CA 3.45Å; E904-S911 WeakPolarHBondContact CG-OG 3.5Å; E904-S911 PolarHBondContact OE2-OG 2.96Å
912	F	80.8	Confident	79.8	Confident	51 Å²	51	62.3 Å²	62.3	22%	0.224	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	150.7	-174.5	-60.5	-93.2	0	0	0	111.5	K901 Y903 C905 K910 K914 L918 H921	K901-F912 CarbonylContact C-O 3.57Å; K901-F912 VanDerWaalsContact CA-O 3.32Å; K901-F912 WeakPolarHBondContact CA-O 3.41Å; Y903-F912 WeakPolarHBondContact CB-O 3.28Å; Y903-F912 WeakPolarHBondContact CD2-O 3.25Å; Y903-F912 PolarHBondContact N-O 3.41Å; Y903-F912 VanDerWaalsContact N-O 3.11Å; Y903-F912 PolarHBondContact O-N 3.02Å; C905-F912 HydrophobicContact CB-CE2 4.49Å; K910-F912 HydrophobicContact CB-CE2 3.92Å; K910-F912 HydrophobicContact CB-CZ 4.18Å; K910-F912 VanDerWaalsContact O-CD2 3.3Å; K910-F912 WeakPolarHBondContact O-CD2 3.22Å; K910-F912 WeakPolarHBondContact O-CE2 3.41Å; F912-K914 VanDerWaalsContact C-N 3.32Å; F912-K914 PolarHBondContact O-N 3.13Å; F912-L918 HydrophobicContact CB-CB 4.48Å; F912-L918 HydrophobicContact CD2-CB 4.08Å; F912-L918 HydrophobicContact CD2-CD1 4.02Å; F912-L918 HydrophobicContact CE2-CD1 4.22Å; F912-L918 HydrophobicContact CG-CB 4.48Å; F912-H921 HydrophobicContact CE1-CB 4.32Å; F912-H921 HydrophobicContact CE2-CB 3.99Å; F912-H921 AromaticContact CE2-CD2 3.32Å; F912-H921 WeakPolarHBondContact CE2-CD2 3.37Å; F912-H921 AromaticContact CE2-CG 3.84Å; F912-H921 HydrophobicContact CZ-CB 3.67Å; F912-H921 AromaticContact CZ-CD2 3.37Å; F912-H921 WeakPolarHBondContact CZ-CD2 3.32Å; F912-H921 AromaticContact CZ-CG 3.49Å; F912-H921 VanDerWaalsContact CZ-CG 3.49Å
913	S	73.7	Confident	80	Confident	32 Å²	32	61.3 Å²	61.3	22%	0.224	35%	0.348	C	S	.	.	S	Bend	trans	-79.3	-12	177.8	57.2	0	0	0	0	114.2	R895 E900 Y903	R895-S913 PolarHBondContact NH1-O 3.23Å; E900-S913 WeakPolarHBondContact O-CB 3.1Å; Y903-S913 WeakPolarHBondContact CE2-O 3.44Å
914	K	76.7	Confident	79.9	Confident	91 Å²	91	61.6 Å²	61.6	40%	0.396	36%	0.358	S	S	.	.	S	Bend	trans	-133.9	137.4	178.7	-65.1	164	-176.6	162.7	0	111.9	S892 F912 S916 T917 L918	S892-K914 WeakPolarHBondContact OG-CE 3.28Å; F912-K914 VanDerWaalsContact C-N 3.32Å; F912-K914 PolarHBondContact O-N 3.13Å; K914-S916 VanDerWaalsContact C-N 3.29Å; K914-S916 PolarHBondContact O-N 3.25Å; K914-T917 WeakPolarHBondContact CB-OG1 3.25Å; K914-T917 PolarHBondContact O-N 3.28Å; K914-T917 VanDerWaalsContact O-N 3.16Å; K914-T917 PolarHBondContact O-OG1 3.48Å; K914-L918 PolarHBondContact O-N 3.26Å
915	S	79.1	Confident	79.7	Confident	67 Å²	67	59.4 Å²	59.4	47%	0.469	35%	0.348	S	S	.	.	H	α-helix	trans	-62.5	-34.1	176.7	53.9	0	0	0	0	113	T917 L918 A919	S915-T917 VanDerWaalsContact C-N 3.3Å; S915-T917 PolarHBondContact O-N 2.93Å; S915-L918 PolarHBondContact O-N 3.09Å; S915-A919 WeakPolarHBondContact O-CB 3.44Å; S915-A919 PolarHBondContact O-N 2.97Å
916	S	78.4	Confident	79.3	Confident	73 Å²	73	63.3 Å²	63.3	51%	0.51	37%	0.372	S	S	.	.	H	α-helix	trans	-67.9	-26.4	176.6	55.1	0	0	0	0	113.9	K914 N920	K914-S916 VanDerWaalsContact C-N 3.29Å; K914-S916 PolarHBondContact O-N 3.25Å; S916-N920 PolarHBondContact O-N 3Å
917	T	78.7	Confident	79.2	Confident	58 Å²	58	60.1 Å²	60.1	36%	0.356	35%	0.349	S	S	.	.	H	α-helix	trans	-78	-36.4	170.7	38.8	0	0	0	0	112.1	K914 S915 N920 H921	K914-T917 WeakPolarHBondContact CB-OG1 3.25Å; K914-T917 PolarHBondContact O-N 3.28Å; K914-T917 VanDerWaalsContact O-N 3.16Å; K914-T917 PolarHBondContact O-OG1 3.48Å; S915-T917 VanDerWaalsContact C-N 3.3Å; S915-T917 PolarHBondContact O-N 2.93Å; T917-N920 PolarHBondContact O-N 3.11Å; T917-H921 WeakPolarHBondContact O-CB 3.39Å; T917-H921 PolarHBondContact O-N 2.97Å
918	L	83.2	Confident	79	Confident	21 Å²	21	60 Å²	60	11%	0.11	35%	0.348	C	S	.	.	H	α-helix	trans	-60.5	-49.3	170	173.4	61.9	0	0	0	111	E904 C905 F912 K914 S915 N920 H921 Q922	E904-L918 WeakPolarHBondContact O-CD2 3.46Å; C905-L918 HydrophobicContact CB-CD1 3.52Å; F912-L918 HydrophobicContact CB-CB 4.48Å; F912-L918 HydrophobicContact CD2-CB 4.08Å; F912-L918 HydrophobicContact CD2-CD1 4.02Å; F912-L918 HydrophobicContact CE2-CD1 4.22Å; F912-L918 HydrophobicContact CG-CB 4.48Å; K914-L918 PolarHBondContact O-N 3.26Å; S915-L918 PolarHBondContact O-N 3.09Å; L918-N920 VanDerWaalsContact C-N 3.28Å; L918-N920 PolarHBondContact O-N 3.44Å; L918-H921 CarbonylContact O-C 3.55Å; L918-H921 WeakPolarHBondContact O-CA 3.47Å; L918-H921 WeakPolarHBondContact O-CB 3.37Å; L918-H921 PolarHBondContact O-N 3.23Å; L918-Q922 HydrophobicContact CD1-CG 4.01Å; L918-Q922 HydrophobicContact CG-CG 4.36Å; L918-Q922 PolarHBondContact O-N 2.88Å
919	A	81.3	Confident	79.1	Confident	38 Å²	38	63.5 Å²	63.5	31%	0.314	36%	0.358	S	S	.	.	H	α-helix	trans	-63.3	-30.3	179.6	0	0	0	0	0	113.6	S915	S915-A919 WeakPolarHBondContact O-CB 3.44Å; S915-A919 PolarHBondContact O-N 2.97Å
920	N	80.6	Confident	79.2	Confident	48 Å²	48	65 Å²	65	26%	0.257	36%	0.359	S	S	.	.	H	α-helix	trans	-75	-27.7	170.2	-80.3	3.5	0	0	0	112.7	S916 T917 L918 R923 E942	S916-N920 PolarHBondContact O-N 3Å; T917-N920 PolarHBondContact O-N 3.11Å; L918-N920 VanDerWaalsContact C-N 3.28Å; L918-N920 PolarHBondContact O-N 3.44Å; N920-R923 PolarHBondContact OD1-NH1 3.33Å; N920-E942 PolarHBondContact ND2-OE1 3Å; N920-E942 VanDerWaalsContact ND2-OE1 3.1Å
921	H	80.9	Confident	79.3	Confident	27 Å²	27	62.9 Å²	62.9	13%	0.125	35%	0.349	C	S	.	.	H	α-helix	trans	-78.5	-38.1	176.6	176.8	45.4	0	0	0	112.8	C908 F912 T917 L918 R923 T924 H925	C908-H921 PolarHBondContact SG-NE2 3.34Å; F912-H921 HydrophobicContact CE1-CB 4.32Å; F912-H921 HydrophobicContact CE2-CB 3.99Å; F912-H921 AromaticContact CE2-CD2 3.32Å; F912-H921 WeakPolarHBondContact CE2-CD2 3.37Å; F912-H921 AromaticContact CE2-CG 3.84Å; F912-H921 HydrophobicContact CZ-CB 3.67Å; F912-H921 AromaticContact CZ-CD2 3.37Å; F912-H921 WeakPolarHBondContact CZ-CD2 3.32Å; F912-H921 AromaticContact CZ-CG 3.49Å; F912-H921 VanDerWaalsContact CZ-CG 3.49Å; T917-H921 WeakPolarHBondContact O-CB 3.39Å; T917-H921 PolarHBondContact O-N 2.97Å; L918-H921 CarbonylContact O-C 3.55Å; L918-H921 WeakPolarHBondContact O-CA 3.47Å; L918-H921 WeakPolarHBondContact O-CB 3.37Å; L918-H921 PolarHBondContact O-N 3.23Å; H921-R923 PolarHBondContact O-N 3.1Å; H921-T924 PolarHBondContact CE1-OG1 3.27Å; H921-T924 PolarHBondContact ND1-OG1 3.01Å; H921-T924 WeakPolarHBondContact O-CA 3.46Å; H921-T924 VanDerWaalsContact O-CB 3.32Å; H921-T924 WeakPolarHBondContact O-CB 3.45Å; H921-T924 PolarHBondContact O-N 3.27Å; H921-T924 PolarHBondContact O-OG1 3.38Å; H921-H925 AromaticContact CE1-CE1 3.88Å; H921-H925 AromaticContact CE1-NE2 3.46Å; H921-H925 PolarHBondContact CE1-NE2 2.87Å; H921-H925 AromaticContact NE2-CE1 3.97Å; H921-H925 AromaticContact NE2-NE2 3.25Å; H921-H925 PolarHBondContact NE2-NE2 3.1Å
922	Q	80.6	Confident	79.2	Confident	77 Å²	77	67.6 Å²	67.6	36%	0.36	36%	0.364	S	S	.	.	H	α-helix	trans	-57.6	-35.2	175.1	-72.6	168	-52.5	0	0	111.7	L918 T924 H925 T926	L918-Q922 HydrophobicContact CD1-CG 4.01Å; L918-Q922 HydrophobicContact CG-CG 4.36Å; L918-Q922 PolarHBondContact O-N 2.88Å; Q922-T924 PolarHBondContact O-N 2.9Å; Q922-H925 PolarHBondContact O-N 2.87Å; Q922-T926 PolarHBondContact O-N 3.04Å; Q922-T926 PolarHBondContact O-OG1 3.26Å
923	R	82.4	Confident	79.4	Confident	49 Å²	49	65.2 Å²	65.2	19%	0.185	35%	0.354	C	S	.	.	H	α-helix	trans	-61.3	-10	169.7	-64.3	-162.8	-159.1	96.9	24.4	115.4	N920 H921 G927 E928 S941	N920-R923 PolarHBondContact OD1-NH1 3.33Å; H921-R923 PolarHBondContact O-N 3.1Å; R923-G927 CarbonylContact O-C 3.53Å; R923-G927 PolarHBondContact O-N 3.22Å; R923-E928 HydrophobicContact CB-CB 4.05Å; R923-E928 HydrophobicContact CG-CB 3.86Å; R923-E928 IonicContact NE-OE2 3.75Å; R923-E928 PolarHBondContact O-N 2.84Å; R923-S941 PolarHBondContact NH1-O 3.13Å
924	T	77.4	Confident	79.7	Confident	84 Å²	84	69.9 Å²	69.9	52%	0.515	38%	0.381	S	S	.	.	H	α-helix	trans	-87.3	-21.8	172	68.9	0	0	0	0	112.8	H921 Q922	H921-T924 PolarHBondContact CE1-OG1 3.27Å; H921-T924 PolarHBondContact ND1-OG1 3.01Å; H921-T924 WeakPolarHBondContact O-CA 3.46Å; H921-T924 VanDerWaalsContact O-CB 3.32Å; H921-T924 WeakPolarHBondContact O-CB 3.45Å; H921-T924 PolarHBondContact O-N 3.27Å; H921-T924 PolarHBondContact O-OG1 3.38Å; Q922-T924 PolarHBondContact O-N 2.9Å
925	H	78.3	Confident	79.6	Confident	72 Å²	72	70.5 Å²	70.5	33%	0.333	39%	0.388	S	S	.	.	H	α-helix	trans	-86.8	-52.6	171.3	-57.6	-55.9	0	0	0	110.8	C905 E907 C908 H921 Q922 G927	C905-H925 VanDerWaalsContact SG-CD2 3.57Å; C905-H925 PolarHBondContact SG-NE2 2.95Å; E907-H925 WeakPolarHBondContact OE1-CB 3.22Å; E907-H925 IonicContact OE2-CD2 2.66Å; E907-H925 PolarHBondContact OE2-CD2 3.15Å; E907-H925 IonicContact OE2-CG 2.73Å; C908-H925 PolarHBondContact SG-NE2 2.92Å; C908-H925 VanDerWaalsContact SG-NE2 3.38Å; H921-H925 AromaticContact CE1-CE1 3.88Å; H921-H925 AromaticContact CE1-NE2 3.46Å; H921-H925 PolarHBondContact CE1-NE2 2.87Å; H921-H925 AromaticContact NE2-CE1 3.97Å; H921-H925 AromaticContact NE2-NE2 3.25Å; H921-H925 PolarHBondContact NE2-NE2 3.1Å; Q922-H925 PolarHBondContact O-N 2.87Å; H925-G927 PolarHBondContact O-N 2.82Å
926	T	76.8	Confident	79.6	Confident	82 Å²	82	69.6 Å²	69.6	50%	0.503	38%	0.382	S	S	.	.	S	Bend	trans	-68.7	-6.6	177.1	68.1	0	0	0	0	114	Q922 E928	Q922-T926 PolarHBondContact O-N 3.04Å; Q922-T926 PolarHBondContact O-OG1 3.26Å; T926-E928 PolarHBondContact O-N 2.9Å; T926-E928 WeakPolarHBondContact OG1-CG 3.48Å
927	G	76.8	Confident	79.5	Confident	37 Å²	37	67.8 Å²	67.8	38%	0.381	37%	0.374	S	S	.	.			trans	69.3	-1.8	-178.4	0	0	0	0	0	115.3	R923 H925 K929	R923-G927 CarbonylContact O-C 3.53Å; R923-G927 PolarHBondContact O-N 3.22Å; H925-G927 PolarHBondContact O-N 2.82Å; G927-K929 WeakPolarHBondContact O-CG 3.12Å; G927-K929 PolarHBondContact O-N 3.42Å
928	E	76	Confident	79.6	Confident	104 Å²	104	71.3 Å²	71.3	49%	0.486	39%	0.385	S	S	.	.			trans	-53.9	124.7	-175.1	-85.8	-171.1	-170.2	0	0	113.4	R923 T926 S941	R923-E928 HydrophobicContact CB-CB 4.05Å; R923-E928 HydrophobicContact CG-CB 3.86Å; R923-E928 IonicContact NE-OE2 3.75Å; R923-E928 PolarHBondContact O-N 2.84Å; T926-E928 PolarHBondContact O-N 2.9Å; T926-E928 WeakPolarHBondContact OG1-CG 3.48Å; E928-S941 WeakPolarHBondContact O-CB 3.43Å
929	K	81.8	Confident	79.5	Confident	120 Å²	120	72.9 Å²	72.9	52%	0.522	40%	0.397	S	S	.	.			trans	-128.7	73	176.7	-71.2	153.7	-171.4	157	0	110.7	G927 Y931 C939 F940	G927-K929 WeakPolarHBondContact O-CG 3.12Å; G927-K929 PolarHBondContact O-N 3.42Å; K929-Y931 PolarHBondContact O-N 2.94Å; K929-Y931 VanDerWaalsContact O-N 3.14Å; K929-C939 HydrophobicContact CB-CB 3.49Å; K929-C939 VanDerWaalsContact CB-CB 3.49Å; K929-C939 WeakPolarHBondContact O-CB 3.38Å; K929-F940 CarbonylContact C-O 3.55Å; K929-F940 VanDerWaalsContact CA-O 3.29Å; K929-F940 WeakPolarHBondContact CA-O 3.48Å
930	P	78.9	Confident	79.5	Confident	75 Å²	75	73.3 Å²	73.3	49%	0.487	39%	0.392	S	S	.	.			trans	-63.8	-21.7	-173.4	-22.6	34.9	0	0	0	114.1	K932	P930-K932 PolarHBondContact O-N 2.93Å
931	Y	82.5	Confident	79.3	Confident	77 Å²	77	72.4 Å²	72.4	30%	0.302	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	81.3	-172.3	-56.2	-71.7	0	0	0	111.1	K929 F940 S941 R943	K929-Y931 PolarHBondContact O-N 2.94Å; K929-Y931 VanDerWaalsContact O-N 3.14Å; Y931-F940 WeakPolarHBondContact CB-O 3.5Å; Y931-F940 WeakPolarHBondContact CD2-O 3.45Å; Y931-F940 PolarHBondContact N-O 3.36Å; Y931-F940 PolarHBondContact O-N 3.04Å; Y931-S941 WeakPolarHBondContact CE2-O 3.17Å; Y931-R943 HydrophobicContact CD1-CB 3.86Å; Y931-R943 HydrophobicContact CD1-CG 4.19Å; Y931-R943 HydrophobicContact CD2-CB 4.41Å; Y931-R943 VanDerWaalsContact CD2-N 3.3Å; Y931-R943 HydrophobicContact CE1-CB 3.75Å; Y931-R943 HydrophobicContact CE1-CG 4.23Å; Y931-R943 HydrophobicContact CE2-CB 4.28Å; Y931-R943 HydrophobicContact CG-CB 4.2Å
932	K	79.5	Confident	79.1	Confident	137 Å²	137	73.6 Å²	73.6	60%	0.596	40%	0.395	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.1	132.2	176.2	-172.4	165	-173.7	174.3	0	112.4	P930 G937	P930-K932 PolarHBondContact O-N 2.93Å; K932-G937 WeakPolarHBondContact CE-O 3.41Å
933	C	84.7	Confident	79	Confident	0 Å²	0	78 Å²	78	0%	0	41%	0.408	C	S	.	.			trans	-77.9	129.3	169.4	-173.9	0	0	0	0	110.6	C936 G937 K938 F940 L946 H953	C933-C936 VanDerWaalsContact SG-SG 3.6Å; C933-G937 VanDerWaalsContact O-CA 3.22Å; C933-G937 WeakPolarHBondContact O-CA 3.35Å; C933-G937 PolarHBondContact O-N 3.38Å; C933-K938 VanDerWaalsContact CB-O 3.27Å; C933-K938 WeakPolarHBondContact CB-O 3.3Å; C933-K938 PolarHBondContact N-O 3.3Å; C933-F940 HydrophobicContact CB-CE2 4.39Å; C933-L946 HydrophobicContact CB-CD1 3.59Å; C933-H953 VanDerWaalsContact SG-CD2 3.59Å; C933-H953 PolarHBondContact SG-NE2 2.83Å; C933-H953 VanDerWaalsContact SG-NE2 3.44Å
934	V	78.4	Confident	78.8	Confident	130 Å²	130	78.6 Å²	78.6	79%	0.788	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-39.5	-178.9	-177.5	0	0	0	0	111.2
935	D	74.9	Confident	78.9	Confident	104 Å²	104	80 Å²	80	56%	0.556	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-22.7	-169.6	-43.9	-78	0	0	0	114.1	H953	D935-H953 HydrophobicContact CB-CB 4.2Å; D935-H953 IonicContact OD2-CD2 3.1Å
936	C	78.9	Confident	79.1	Confident	49 Å²	49	77.4 Å²	77.4	33%	0.331	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-140.2	4.4	-174.6	73.2	0	0	0	0	114.7	C933 K938 H949 H953	C933-C936 VanDerWaalsContact SG-SG 3.6Å; C936-K938 PolarHBondContact O-N 3.36Å; C936-H949 PolarHBondContact SG-NE2 2.75Å; C936-H953 PolarHBondContact SG-NE2 3.4Å
937	G	78.1	Confident	79.3	Confident	34 Å²	34	77.1 Å²	77.1	35%	0.351	40%	0.402	S	S	.	.			trans	69.6	-9.4	179.8	0	0	0	0	0	116.7	K932 C933 C939	K932-G937 WeakPolarHBondContact CE-O 3.41Å; C933-G937 VanDerWaalsContact O-CA 3.22Å; C933-G937 WeakPolarHBondContact O-CA 3.35Å; C933-G937 PolarHBondContact O-N 3.38Å; G937-C939 PolarHBondContact O-SG 2.8Å
938	K	79.8	Confident	79.3	Confident	132 Å²	132	77.5 Å²	77.5	57%	0.574	40%	0.397	S	S	*	.			trans	-66.2	131.8	-176.4	-65.9	-176	178	-174.7	0	111.9	C933 C936 F940	C933-K938 VanDerWaalsContact CB-O 3.27Å; C933-K938 WeakPolarHBondContact CB-O 3.3Å; C933-K938 PolarHBondContact N-O 3.3Å; C936-K938 PolarHBondContact O-N 3.36Å; K938-F940 HydrophobicContact CB-CE2 4.08Å; K938-F940 HydrophobicContact CB-CZ 4.22Å; K938-F940 WeakPolarHBondContact O-CE2 3.27Å
939	C	81.1	Confident	79.5	Confident	55 Å²	55	74 Å²	74	37%	0.372	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	143.2	-176.5	-57.5	0	0	0	0	112.3	K929 G937	K929-C939 HydrophobicContact CB-CB 3.49Å; K929-C939 VanDerWaalsContact CB-CB 3.49Å; K929-C939 WeakPolarHBondContact O-CB 3.38Å; G937-C939 PolarHBondContact O-SG 2.8Å
940	F	80.9	Confident	79.3	Confident	46 Å²	46	71.5 Å²	71.5	20%	0.202	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	148	-179.7	-58.7	-89.3	0	0	0	111.4	K929 Y931 C933 K938 E942 K945 L946 H949	K929-F940 CarbonylContact C-O 3.55Å; K929-F940 VanDerWaalsContact CA-O 3.29Å; K929-F940 WeakPolarHBondContact CA-O 3.48Å; Y931-F940 WeakPolarHBondContact CB-O 3.5Å; Y931-F940 WeakPolarHBondContact CD2-O 3.45Å; Y931-F940 PolarHBondContact N-O 3.36Å; Y931-F940 PolarHBondContact O-N 3.04Å; C933-F940 HydrophobicContact CB-CE2 4.39Å; K938-F940 HydrophobicContact CB-CE2 4.08Å; K938-F940 HydrophobicContact CB-CZ 4.22Å; K938-F940 WeakPolarHBondContact O-CE2 3.27Å; F940-E942 VanDerWaalsContact C-N 3.35Å; F940-K945 HydrophobicContact CB-CB 4.32Å; F940-K945 HydrophobicContact CD1-CB 3.93Å; F940-K945 HydrophobicContact CG-CB 4.35Å; F940-L946 HydrophobicContact CB-CB 4.42Å; F940-L946 HydrophobicContact CD2-CB 4.04Å; F940-L946 HydrophobicContact CD2-CD1 3.98Å; F940-L946 HydrophobicContact CE2-CD1 4.22Å; F940-L946 HydrophobicContact CG-CB 4.43Å; F940-H949 HydrophobicContact CE1-CB 4.16Å; F940-H949 HydrophobicContact CE2-CB 3.85Å; F940-H949 AromaticContact CE2-CD2 3.51Å; F940-H949 AromaticContact CE2-CG 3.69Å; F940-H949 HydrophobicContact CZ-CB 3.55Å; F940-H949 AromaticContact CZ-CD2 3.52Å; F940-H949 AromaticContact CZ-CG 3.29Å; F940-H949 AromaticContact CZ-ND1 3.77Å
941	S	76.3	Confident	79.4	Confident	30 Å²	30	70.2 Å²	70.2	21%	0.21	36%	0.356	C	S	.	.	S	Bend	trans	-78.2	-18	175.5	51.7	0	0	0	0	113.4	R923 E928 Y931	R923-S941 PolarHBondContact NH1-O 3.13Å; E928-S941 WeakPolarHBondContact O-CB 3.43Å; Y931-S941 WeakPolarHBondContact CE2-O 3.17Å
942	E	77.9	Confident	79.2	Confident	52 Å²	52	69.8 Å²	69.8	24%	0.243	36%	0.362	C	S	.	.	S	Bend	trans	-126.6	140.9	175.8	-49.3	-170.3	135.9	0	0	112.9	N920 F940 S944 K945 L946	N920-E942 PolarHBondContact ND2-OE1 3Å; N920-E942 VanDerWaalsContact ND2-OE1 3.1Å; F940-E942 VanDerWaalsContact C-N 3.35Å; E942-S944 VanDerWaalsContact C-N 3.3Å; E942-S944 WeakPolarHBondContact CB-OG 3.5Å; E942-S944 PolarHBondContact O-N 2.84Å; E942-S944 PolarHBondContact OE2-OG 3.2Å; E942-K945 HydrophobicContact CB-CG 3.96Å; E942-K945 HydrophobicContact CG-CG 4.36Å; E942-K945 PolarHBondContact O-N 3.21Å; E942-K945 WeakPolarHBondContact OE2-CE 3.49Å; E942-K945 WeakPolarHBondContact OE2-CG 3.33Å; E942-L946 PolarHBondContact O-N 2.8Å
943	R	78.6	Confident	79	Confident	169 Å²	169	66.9 Å²	66.9	64%	0.638	35%	0.35	S	S	*	.	H	α-helix	trans	-63.6	-32.7	174.9	-170	175.1	-179.5	152.1	2.8	113.4	Y931 L946 I947	Y931-R943 HydrophobicContact CD1-CB 3.86Å; Y931-R943 HydrophobicContact CD1-CG 4.19Å; Y931-R943 HydrophobicContact CD2-CB 4.41Å; Y931-R943 VanDerWaalsContact CD2-N 3.3Å; Y931-R943 HydrophobicContact CE1-CB 3.75Å; Y931-R943 HydrophobicContact CE1-CG 4.23Å; Y931-R943 HydrophobicContact CE2-CB 4.28Å; Y931-R943 HydrophobicContact CG-CB 4.2Å; R943-L946 PolarHBondContact O-N 3.14Å; R943-I947 HydrophobicContact CG-CD1 4.09Å; R943-I947 WeakPolarHBondContact O-CG1 3.28Å; R943-I947 PolarHBondContact O-N 3.46Å
944	S	77.8	Confident	78.4	Confident	61 Å²	61	70.5 Å²	70.5	43%	0.427	37%	0.372	S	S	.	.	H	α-helix	trans	-54.8	-49.4	173.8	46.9	0	0	0	0	111.7	E942 I947 T948	E942-S944 VanDerWaalsContact C-N 3.3Å; E942-S944 WeakPolarHBondContact CB-OG 3.5Å; E942-S944 PolarHBondContact O-N 2.84Å; E942-S944 PolarHBondContact OE2-OG 3.2Å; S944-I947 PolarHBondContact O-N 2.83Å; S944-T948 PolarHBondContact O-N 3.35Å; S944-T948 PolarHBondContact O-OG1 2.69Å
945	K	79.2	Confident	78.2	Confident	113 Å²	113	66.7 Å²	66.7	49%	0.491	36%	0.359	S	S	.	.	H	α-helix	trans	-70.3	-35.3	-179.1	-51.7	-69.5	176.8	172	0	111.6	F940 E942 T948 H949	F940-K945 HydrophobicContact CB-CB 4.32Å; F940-K945 HydrophobicContact CD1-CB 3.93Å; F940-K945 HydrophobicContact CG-CB 4.35Å; E942-K945 HydrophobicContact CB-CG 3.96Å; E942-K945 HydrophobicContact CG-CG 4.36Å; E942-K945 PolarHBondContact O-N 3.21Å; E942-K945 WeakPolarHBondContact OE2-CE 3.49Å; E942-K945 WeakPolarHBondContact OE2-CG 3.33Å; K945-T948 PolarHBondContact O-OG1 3.43Å; K945-H949 WeakPolarHBondContact O-CB 3.23Å; K945-H949 PolarHBondContact O-N 3.37Å
946	L	82.7	Confident	78.1	Confident	18 Å²	18	66.6 Å²	66.6	9%	0.094	36%	0.355	C	S	.	.	H	α-helix	trans	-61	-45.9	170	173.4	60.6	0	0	0	111.3	C933 F940 E942 R943 H949 Q950	C933-L946 HydrophobicContact CB-CD1 3.59Å; F940-L946 HydrophobicContact CB-CB 4.42Å; F940-L946 HydrophobicContact CD2-CB 4.04Å; F940-L946 HydrophobicContact CD2-CD1 3.98Å; F940-L946 HydrophobicContact CE2-CD1 4.22Å; F940-L946 HydrophobicContact CG-CB 4.43Å; E942-L946 PolarHBondContact O-N 2.8Å; R943-L946 PolarHBondContact O-N 3.14Å; L946-H949 CarbonylContact O-C 3.15Å; L946-H949 WeakPolarHBondContact O-CB 3.34Å; L946-H949 PolarHBondContact O-N 2.85Å; L946-Q950 HydrophobicContact CD1-CG 4.02Å; L946-Q950 HydrophobicContact CG-CG 4.43Å; L946-Q950 WeakPolarHBondContact O-CG 3.25Å; L946-Q950 PolarHBondContact O-N 3.39Å
947	I	79.6	Confident	78.2	Confident	76 Å²	76	70.1 Å²	70.1	39%	0.39	37%	0.365	S	S	.	.	H	α-helix	trans	-65.3	-42.2	-178.9	-69	165.9	0	0	0	111.6	R943 S944 H949 Q950	R943-I947 HydrophobicContact CG-CD1 4.09Å; R943-I947 WeakPolarHBondContact O-CG1 3.28Å; R943-I947 PolarHBondContact O-N 3.46Å; S944-I947 PolarHBondContact O-N 2.83Å; I947-H949 VanDerWaalsContact C-N 3.3Å; I947-H949 PolarHBondContact O-N 3.28Å; I947-Q950 PolarHBondContact O-N 3.39Å
948	T	77.8	Confident	78	Confident	45 Å²	45	71.9 Å²	71.9	28%	0.276	37%	0.37	S	S	.	.	H	α-helix	trans	-69	-29.5	174	56.1	0	0	0	0	112.5	S944 K945 R969 D970	S944-T948 PolarHBondContact O-N 3.35Å; S944-T948 PolarHBondContact O-OG1 2.69Å; K945-T948 PolarHBondContact O-OG1 3.43Å; T948-R969 WeakPolarHBondContact O-CD 3.3Å; T948-D970 VanDerWaalsContact CB-OD1 3.3Å; T948-D970 WeakPolarHBondContact CB-OD1 3.32Å; T948-D970 WeakPolarHBondContact CG2-OD1 3.28Å
949	H	80.3	Confident	77.9	Confident	31 Å²	31	69 Å²	69	14%	0.144	36%	0.356	C	S	.	.	H	α-helix	trans	-69.8	-39.2	171.7	-175.6	66.6	0	0	0	113.1	C936 F940 K945 L946 I947 R951 V952 H953	C936-H949 PolarHBondContact SG-NE2 2.75Å; F940-H949 HydrophobicContact CE1-CB 4.16Å; F940-H949 HydrophobicContact CE2-CB 3.85Å; F940-H949 AromaticContact CE2-CD2 3.51Å; F940-H949 AromaticContact CE2-CG 3.69Å; F940-H949 HydrophobicContact CZ-CB 3.55Å; F940-H949 AromaticContact CZ-CD2 3.52Å; F940-H949 AromaticContact CZ-CG 3.29Å; F940-H949 AromaticContact CZ-ND1 3.77Å; K945-H949 WeakPolarHBondContact O-CB 3.23Å; K945-H949 PolarHBondContact O-N 3.37Å; L946-H949 CarbonylContact O-C 3.15Å; L946-H949 WeakPolarHBondContact O-CB 3.34Å; L946-H949 PolarHBondContact O-N 2.85Å; I947-H949 VanDerWaalsContact C-N 3.3Å; I947-H949 PolarHBondContact O-N 3.28Å; H949-R951 PolarHBondContact O-N 2.75Å; H949-V952 WeakPolarHBondContact O-CB 3.26Å; H949-V952 WeakPolarHBondContact O-CG2 3.41Å; H949-V952 PolarHBondContact O-N 2.74Å; H949-H953 AromaticContact CD2-NE2 3.72Å; H949-H953 AromaticContact NE2-CE1 3.81Å; H949-H953 AromaticContact NE2-NE2 3.25Å; H949-H953 PolarHBondContact NE2-NE2 3.16Å
950	Q	77.3	Confident	77.6	Confident	67 Å²	67	71.2 Å²	71.2	31%	0.313	36%	0.36	S	S	.	.	H	α-helix	trans	-60.1	-30	177.8	-76.5	176	-57	0	0	112.6	L946 I947 V952 H953 T954	L946-Q950 HydrophobicContact CD1-CG 4.02Å; L946-Q950 HydrophobicContact CG-CG 4.43Å; L946-Q950 WeakPolarHBondContact O-CG 3.25Å; L946-Q950 PolarHBondContact O-N 3.39Å; I947-Q950 PolarHBondContact O-N 3.39Å; Q950-V952 PolarHBondContact O-N 2.84Å; Q950-H953 PolarHBondContact O-N 3.43Å; Q950-T954 PolarHBondContact O-N 2.95Å; Q950-T954 VanDerWaalsContact O-N 3.1Å
951	R	81.6	Confident	77.7	Confident	48 Å²	48	69 Å²	69	18%	0.181	35%	0.35	C	S	.	.	H	α-helix	trans	-63.6	-15.1	171.6	-61.4	176.5	-177.8	164.5	2.1	114.2	H949 G955 E956 R969	H949-R951 PolarHBondContact O-N 2.75Å; R951-G955 WeakPolarHBondContact O-CA 3.49Å; R951-G955 PolarHBondContact O-N 3.25Å; R951-G955 VanDerWaalsContact O-N 3.13Å; R951-E956 HydrophobicContact CB-CB 4.3Å; R951-E956 HydrophobicContact CG-CB 4.19Å; R951-E956 PolarHBondContact O-N 2.94Å; R951-R969 HydrophobicContact CB-CG 3.49Å; R951-R969 VanDerWaalsContact CB-CG 3.49Å; R951-R969 HydrophobicContact CG-CG 4.39Å; R951-R969 PolarHBondContact NH1-O 3.45Å
952	V	78.7	Confident	77.9	Confident	69 Å²	69	74.4 Å²	74.4	42%	0.418	38%	0.376	S	S	.	.	H	α-helix	trans	-65.1	-42.7	167.7	-178.8	0	0	0	0	110.2	H949 Q950	H949-V952 WeakPolarHBondContact O-CB 3.26Å; H949-V952 WeakPolarHBondContact O-CG2 3.41Å; H949-V952 PolarHBondContact O-N 2.74Å; Q950-V952 PolarHBondContact O-N 2.84Å
953	H	73.8	Confident	77.9	Confident	75 Å²	75	76.6 Å²	76.6	35%	0.347	39%	0.386	S	S	.	.	H	α-helix	trans	-82.7	-38.7	-174.5	-52.7	-49.4	0	0	0	112.4	C933 D935 C936 H949 Q950 G955	C933-H953 VanDerWaalsContact SG-CD2 3.59Å; C933-H953 PolarHBondContact SG-NE2 2.83Å; C933-H953 VanDerWaalsContact SG-NE2 3.44Å; D935-H953 HydrophobicContact CB-CB 4.2Å; D935-H953 IonicContact OD2-CD2 3.1Å; C936-H953 PolarHBondContact SG-NE2 3.4Å; H949-H953 AromaticContact CD2-NE2 3.72Å; H949-H953 AromaticContact NE2-CE1 3.81Å; H949-H953 AromaticContact NE2-NE2 3.25Å; H949-H953 PolarHBondContact NE2-NE2 3.16Å; Q950-H953 PolarHBondContact O-N 3.43Å; H953-G955 VanDerWaalsContact C-N 3.29Å
954	T	72.7	Confident	77.8	Confident	77 Å²	77	71 Å²	71	47%	0.472	37%	0.372	S	S	.	.	H	α-helix	trans	-74.5	-21.4	174.2	67.4	0	0	0	0	112.8	Q950 E956	Q950-T954 PolarHBondContact O-N 2.95Å; Q950-T954 VanDerWaalsContact O-N 3.1Å; T954-E956 WeakPolarHBondContact CB-OE1 3.41Å; T954-E956 PolarHBondContact O-N 2.98Å; T954-E956 WeakPolarHBondContact OG1-CB 3.27Å; T954-E956 VanDerWaalsContact OG1-CD 3.22Å; T954-E956 VanDerWaalsContact OG1-CG 3.3Å; T954-E956 WeakPolarHBondContact OG1-CG 3.48Å; T954-E956 PolarHBondContact OG1-N 3.49Å; T954-E956 PolarHBondContact OG1-OE1 3.3Å
955	G	75.2	Confident	77.7	Confident	49 Å²	49	69.3 Å²	69.3	51%	0.505	36%	0.364	S	S	.	.			trans	74.2	10.5	-174.4	0	0	0	0	0	113.9	R951 H953 K957	R951-G955 WeakPolarHBondContact O-CA 3.49Å; R951-G955 PolarHBondContact O-N 3.25Å; R951-G955 VanDerWaalsContact O-N 3.13Å; H953-G955 VanDerWaalsContact C-N 3.29Å; G955-K957 PolarHBondContact O-N 3.35Å
956	E	72.6	Confident	77.6	Confident	103 Å²	103	69.9 Å²	69.9	48%	0.481	37%	0.367	S	S	.	.			trans	-63.3	129.3	179.4	-79.6	164.4	-134.5	0	0	112.2	R951 T954	R951-E956 HydrophobicContact CB-CB 4.3Å; R951-E956 HydrophobicContact CG-CB 4.19Å; R951-E956 PolarHBondContact O-N 2.94Å; T954-E956 WeakPolarHBondContact CB-OE1 3.41Å; T954-E956 PolarHBondContact O-N 2.98Å; T954-E956 WeakPolarHBondContact OG1-CB 3.27Å; T954-E956 VanDerWaalsContact OG1-CD 3.22Å; T954-E956 VanDerWaalsContact OG1-CG 3.3Å; T954-E956 WeakPolarHBondContact OG1-CG 3.48Å; T954-E956 PolarHBondContact OG1-N 3.49Å; T954-E956 PolarHBondContact OG1-OE1 3.3Å
957	K	79.9	Confident	77.4	Confident	122 Å²	122	74.5 Å²	74.5	53%	0.53	39%	0.386	S	S	.	.			trans	-128.6	78.4	175.8	-64.4	178	172.6	-167	0	109.8	G955 Y959 F967 F968	G955-K957 PolarHBondContact O-N 3.35Å; K957-Y959 PolarHBondContact O-N 3.39Å; K957-F967 HydrophobicContact CB-CB 3.68Å; K957-F967 HydrophobicContact CD-CB 4.06Å; K957-F967 WeakPolarHBondContact CD-O 3.45Å; K957-F968 CarbonylContact C-O 3.56Å; K957-F968 VanDerWaalsContact CA-O 3.27Å; K957-F968 WeakPolarHBondContact CA-O 2.89Å
958	P	74.3	Confident	77.3	Confident	71 Å²	71	72.8 Å²	72.8	46%	0.461	38%	0.376	S	S	.	.			trans	-68.4	-18.4	-168.8	-21.5	34.7	0	0	0	114.8
959	Y	78.3	Confident	77.1	Confident	72 Å²	72	74.9 Å²	74.9	28%	0.282	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	107.4	-171.4	-51.5	-74.6	0	0	0	110.1	K957 F967 F968 R969 D970 R971	K957-Y959 PolarHBondContact O-N 3.39Å; Y959-F967 CarbonylContact O-C 3.18Å; Y959-F967 WeakPolarHBondContact O-CA 3.41Å; Y959-F968 PolarHBondContact N-O 3.44Å; Y959-F968 VanDerWaalsContact N-O 3.12Å; Y959-F968 PolarHBondContact O-N 2.76Å; Y959-R969 WeakPolarHBondContact CE2-O 3.26Å; Y959-D970 VanDerWaalsContact CD2-C 3.46Å; Y959-R971 HydrophobicContact CD1-CB 4.14Å; Y959-R971 HydrophobicContact CE1-CB 3.93Å; Y959-R971 HydrophobicContact CE2-CB 4.37Å; Y959-R971 HydrophobicContact CG-CB 4.46Å
960	K	73.9	Confident	76.9	Confident	102 Å²	102	74.5 Å²	74.5	44%	0.443	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	130.4	177	-169.3	-161.3	166.3	-167.3	0	109.9	F967	K960-F967 HydrophobicContact CB-CD1 3.84Å; K960-F967 HydrophobicContact CB-CE1 3.72Å; K960-F967 HydrophobicContact CB-CZ 4.38Å; K960-F967 HydrophobicContact CD-CE1 4.14Å; K960-F967 HydrophobicContact CD-CZ 4Å; K960-F967 HydrophobicContact CG-CD1 4.02Å; K960-F967 HydrophobicContact CG-CE1 3.69Å; K960-F967 HydrophobicContact CG-CE2 4.26Å; K960-F967 HydrophobicContact CG-CG 4.45Å; K960-F967 HydrophobicContact CG-CZ 3.82Å
961	C	83.9	Confident	76.8	Confident	0 Å²	0	78.7 Å²	78.7	0%	0	39%	0.391	C	S	.	.			trans	-70.8	130.5	162.4	163.4	0	0	0	0	109.3	E963 C964 G965 K966 F968 L974 H981	C961-E963 PolarHBondContact SG-OE2 3.2Å; C961-C964 PolarHBondContact SG-N 2.92Å; C961-C964 VanDerWaalsContact SG-N 3.41Å; C961-C964 PolarHBondContact SG-SG 2.76Å; C961-G965 WeakPolarHBondContact O-CA 3.34Å; C961-G965 PolarHBondContact O-N 3.38Å; C961-G965 VanDerWaalsContact O-N 3.11Å; C961-K966 WeakPolarHBondContact CB-O 3.41Å; C961-K966 PolarHBondContact N-O 3.43Å; C961-F968 HydrophobicContact CB-CE2 4.07Å; C961-L974 HydrophobicContact CB-CD1 3.58Å; C961-H981 PolarHBondContact SG-NE2 3.22Å; C961-H981 VanDerWaalsContact SG-NE2 3.38Å
962	L	79.4	Confident	76.6	Confident	143 Å²	143	80.3 Å²	80.3	75%	0.749	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-38.9	-176.8	-61.6	-178.2	0	0	0	111.2
963	E	77.8	Confident	76.7	Confident	97 Å²	97	80.3 Å²	80.3	45%	0.453	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-51.7	-176.6	-53.3	102.1	133.8	0	0	112.8	C961 H981	C961-E963 PolarHBondContact SG-OE2 3.2Å; E963-H981 HydrophobicContact CG-CB 4.33Å; E963-H981 IonicContact OE1-CD2 3.93Å; E963-H981 IonicContact OE1-CG 3.51Å; E963-H981 IonicContact OE2-CD2 3.11Å
964	C	77.9	Confident	77.1	Confident	52 Å²	52	77.7 Å²	77.7	35%	0.351	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.6	6.1	-174.5	77.4	0	0	0	0	114.9	C961 K966 H977 H981	C961-C964 PolarHBondContact SG-N 2.92Å; C961-C964 VanDerWaalsContact SG-N 3.41Å; C961-C964 PolarHBondContact SG-SG 2.76Å; C964-K966 PolarHBondContact O-N 3.23Å; C964-K966 VanDerWaalsContact SG-CD 3.56Å; C964-K966 VanDerWaalsContact SG-CG 3.54Å; C964-H977 PolarHBondContact SG-NE2 3.1Å; C964-H981 VanDerWaalsContact SG-CE1 3.6Å; C964-H981 PolarHBondContact SG-NE2 2.85Å
965	G	75.3	Confident	77.5	Confident	26 Å²	26	77.4 Å²	77.4	27%	0.268	39%	0.39	S	S	.	.			trans	69.5	-3.6	176.7	0	0	0	0	0	116.8	C961 F967	C961-G965 WeakPolarHBondContact O-CA 3.34Å; C961-G965 PolarHBondContact O-N 3.38Å; C961-G965 VanDerWaalsContact O-N 3.11Å; G965-F967 VanDerWaalsContact O-CD2 3.25Å; G965-F967 WeakPolarHBondContact O-CD2 3.4Å; G965-F967 WeakPolarHBondContact O-CE2 3.49Å
966	K	76.4	Confident	77.7	Confident	124 Å²	124	77 Å²	77	54%	0.539	38%	0.378	S	S	.	.			trans	-64.2	140.4	-178.6	-69.2	174.5	-170.5	169.7	0	111.3	C961 C964 F968	C961-K966 WeakPolarHBondContact CB-O 3.41Å; C961-K966 PolarHBondContact N-O 3.43Å; C964-K966 PolarHBondContact O-N 3.23Å; C964-K966 VanDerWaalsContact SG-CD 3.56Å; C964-K966 VanDerWaalsContact SG-CG 3.54Å; K966-F968 HydrophobicContact CB-CE2 3.7Å; K966-F968 HydrophobicContact CB-CZ 3.91Å; K966-F968 WeakPolarHBondContact O-CD2 3.18Å; K966-F968 WeakPolarHBondContact O-CE2 3.28Å
967	F	79.2	Confident	78.2	Confident	115 Å²	115	73 Å²	73	50%	0.504	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	140.1	-178.3	-67.7	-96.8	0	0	0	112.1	K957 Y959 K960 G965	K957-F967 HydrophobicContact CB-CB 3.68Å; K957-F967 HydrophobicContact CD-CB 4.06Å; K957-F967 WeakPolarHBondContact CD-O 3.45Å; Y959-F967 CarbonylContact O-C 3.18Å; Y959-F967 WeakPolarHBondContact O-CA 3.41Å; K960-F967 HydrophobicContact CB-CD1 3.84Å; K960-F967 HydrophobicContact CB-CE1 3.72Å; K960-F967 HydrophobicContact CB-CZ 4.38Å; K960-F967 HydrophobicContact CD-CE1 4.14Å; K960-F967 HydrophobicContact CD-CZ 4Å; K960-F967 HydrophobicContact CG-CD1 4.02Å; K960-F967 HydrophobicContact CG-CE1 3.69Å; K960-F967 HydrophobicContact CG-CE2 4.26Å; K960-F967 HydrophobicContact CG-CG 4.45Å; K960-F967 HydrophobicContact CG-CZ 3.82Å; G965-F967 VanDerWaalsContact O-CD2 3.25Å; G965-F967 WeakPolarHBondContact O-CD2 3.4Å; G965-F967 WeakPolarHBondContact O-CE2 3.49Å
968	F	77.2	Confident	78	Confident	40 Å²	40	70.2 Å²	70.2	18%	0.175	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	147.3	-175.4	-60.7	-89	0	0	0	111.5	K957 Y959 C961 K966 N973 L974 H977	K957-F968 CarbonylContact C-O 3.56Å; K957-F968 VanDerWaalsContact CA-O 3.27Å; K957-F968 WeakPolarHBondContact CA-O 2.89Å; Y959-F968 PolarHBondContact N-O 3.44Å; Y959-F968 VanDerWaalsContact N-O 3.12Å; Y959-F968 PolarHBondContact O-N 2.76Å; C961-F968 HydrophobicContact CB-CE2 4.07Å; K966-F968 HydrophobicContact CB-CE2 3.7Å; K966-F968 HydrophobicContact CB-CZ 3.91Å; K966-F968 WeakPolarHBondContact O-CD2 3.18Å; K966-F968 WeakPolarHBondContact O-CE2 3.28Å; F968-N973 HydrophobicContact CD1-CB 4.17Å; F968-L974 HydrophobicContact CB-CB 4.25Å; F968-L974 HydrophobicContact CD2-CB 4.22Å; F968-L974 HydrophobicContact CD2-CD1 3.95Å; F968-L974 HydrophobicContact CE2-CD1 4.26Å; F968-L974 HydrophobicContact CG-CB 4.33Å; F968-H977 HydrophobicContact CE1-CB 3.92Å; F968-H977 AromaticContact CE1-CG 3.98Å; F968-H977 HydrophobicContact CE2-CB 4.2Å; F968-H977 AromaticContact CE2-CD2 3.28Å; F968-H977 WeakPolarHBondContact CE2-CD2 3.13Å; F968-H977 AromaticContact CE2-CG 3.83Å; F968-H977 AromaticContact CE2-NE2 3.99Å; F968-H977 HydrophobicContact CZ-CB 3.66Å; F968-H977 AromaticContact CZ-CD2 3.17Å; F968-H977 WeakPolarHBondContact CZ-CD2 3.45Å; F968-H977 AromaticContact CZ-CG 3.27Å; F968-H977 AromaticContact CZ-ND1 3.95Å; F968-H977 AromaticContact CZ-NE2 3.77Å
969	R	74.1	Confident	78.5	Confident	89 Å²	89	69.1 Å²	69.1	34%	0.336	34%	0.335	S	S	.	.	S	Bend	trans	-78	-29.1	-177.6	-170.4	-175.2	62.8	-138.2	-9.8	113.4	T948 R951 Y959	T948-R969 WeakPolarHBondContact O-CD 3.3Å; R951-R969 HydrophobicContact CB-CG 3.49Å; R951-R969 VanDerWaalsContact CB-CG 3.49Å; R951-R969 HydrophobicContact CG-CG 4.39Å; R951-R969 PolarHBondContact NH1-O 3.45Å; Y959-R969 WeakPolarHBondContact CE2-O 3.26Å
970	D	75.1	Confident	78.6	Confident	23 Å²	23	70.7 Å²	70.7	12%	0.123	35%	0.347	C	S	.	.	S	Bend	trans	-136.2	135.7	-167.2	-55.9	-53.8	0	0	0	109.9	T948 Y959 S972 N973 L974	T948-D970 VanDerWaalsContact CB-OD1 3.3Å; T948-D970 WeakPolarHBondContact CB-OD1 3.32Å; T948-D970 WeakPolarHBondContact CG2-OD1 3.28Å; Y959-D970 VanDerWaalsContact CD2-C 3.46Å; D970-S972 VanDerWaalsContact C-N 3.3Å; D970-S972 PolarHBondContact O-N 2.99Å; D970-N973 PolarHBondContact O-N 3.22Å; D970-L974 PolarHBondContact O-N 3.48Å
971	R	76.4	Confident	78.6	Confident	155 Å²	155	69.4 Å²	69.4	59%	0.585	34%	0.343	S	S	*	.	H	α-helix	trans	-59.9	-38	-174	-175.5	176.9	176.5	172.2	-0.7	112.4	Y959 N973 L974 I975	Y959-R971 HydrophobicContact CD1-CB 4.14Å; Y959-R971 HydrophobicContact CE1-CB 3.93Å; Y959-R971 HydrophobicContact CE2-CB 4.37Å; Y959-R971 HydrophobicContact CG-CB 4.46Å; R971-N973 PolarHBondContact O-N 2.93Å; R971-L974 WeakPolarHBondContact O-CB 3.44Å; R971-L974 PolarHBondContact O-N 3.4Å; R971-L974 VanDerWaalsContact O-N 3.12Å; R971-I975 HydrophobicContact CG-CD1 4.04Å; R971-I975 HydrophobicContact CG-CG1 4.47Å; R971-I975 WeakPolarHBondContact O-CG1 3.27Å; R971-I975 PolarHBondContact O-N 2.92Å
972	S	76.6	Confident	78.2	Confident	82 Å²	82	73 Å²	73	57%	0.573	37%	0.365	S	S	*	.	H	α-helix	trans	-58.2	-37	176.7	-50.4	0	0	0	0	112.5	D970 L974 I975 T976	D970-S972 VanDerWaalsContact C-N 3.3Å; D970-S972 PolarHBondContact O-N 2.99Å; S972-L974 VanDerWaalsContact C-N 3.35Å; S972-I975 PolarHBondContact O-N 2.78Å; S972-T976 PolarHBondContact O-N 3.33Å; S972-T976 PolarHBondContact O-OG1 3.42Å
973	N	80.3	Confident	78.1	Confident	69 Å²	69	68.5 Å²	68.5	37%	0.369	35%	0.353	S	S	.	.	H	α-helix	trans	-76.4	-24.5	-179.9	-60	7.1	0	0	0	112.2	F968 D970 R971 H977	F968-N973 HydrophobicContact CD1-CB 4.17Å; D970-N973 PolarHBondContact O-N 3.22Å; R971-N973 PolarHBondContact O-N 2.93Å; N973-H977 VanDerWaalsContact O-CB 3.25Å; N973-H977 WeakPolarHBondContact O-CB 3.41Å; N973-H977 PolarHBondContact O-N 3.37Å
974	L	82.7	Confident	78	Confident	20 Å²	20	68.3 Å²	68.3	11%	0.105	35%	0.352	C	S	.	.	H	α-helix	trans	-70	-47.3	167.2	170.7	59.9	0	0	0	109.9	C961 F968 D970 R971 S972 T976 H977 Q978	C961-L974 HydrophobicContact CB-CD1 3.58Å; F968-L974 HydrophobicContact CB-CB 4.25Å; F968-L974 HydrophobicContact CD2-CB 4.22Å; F968-L974 HydrophobicContact CD2-CD1 3.95Å; F968-L974 HydrophobicContact CE2-CD1 4.26Å; F968-L974 HydrophobicContact CG-CB 4.33Å; D970-L974 PolarHBondContact O-N 3.48Å; R971-L974 WeakPolarHBondContact O-CB 3.44Å; R971-L974 PolarHBondContact O-N 3.4Å; R971-L974 VanDerWaalsContact O-N 3.12Å; S972-L974 VanDerWaalsContact C-N 3.35Å; L974-T976 PolarHBondContact O-N 3.21Å; L974-H977 CarbonylContact O-C 3.29Å; L974-H977 WeakPolarHBondContact O-CA 3.46Å; L974-H977 WeakPolarHBondContact O-CB 3.34Å; L974-H977 PolarHBondContact O-N 3.13Å; L974-Q978 HydrophobicContact CD1-CG 3.91Å; L974-Q978 HydrophobicContact CG-CG 4.36Å; L974-Q978 WeakPolarHBondContact O-CG 3.4Å; L974-Q978 PolarHBondContact O-N 3.08Å
975	I	80.3	Confident	78.2	Confident	71 Å²	71	72.1 Å²	72.1	36%	0.364	36%	0.362	S	S	.	.	H	α-helix	trans	-61.6	-47.1	-179.2	-65.1	166.4	0	0	0	111.4	R971 S972 H977 Q978 R979	R971-I975 HydrophobicContact CG-CD1 4.04Å; R971-I975 HydrophobicContact CG-CG1 4.47Å; R971-I975 WeakPolarHBondContact O-CG1 3.27Å; R971-I975 PolarHBondContact O-N 2.92Å; S972-I975 PolarHBondContact O-N 2.78Å; I975-H977 PolarHBondContact O-N 3.48Å; I975-Q978 PolarHBondContact O-N 3.11Å; I975-R979 PolarHBondContact O-N 3.27Å
976	T	80.1	Confident	78.3	Confident	40 Å²	40	74.2 Å²	74.2	25%	0.245	37%	0.371	C	S	.	.	H	α-helix	trans	-67	-17.7	175.9	56.2	0	0	0	0	113.6	S972 L974 Q998	S972-T976 PolarHBondContact O-N 3.33Å; S972-T976 PolarHBondContact O-OG1 3.42Å; L974-T976 PolarHBondContact O-N 3.21Å; T976-Q998 HydrophobicContact CG2-CG 4.2Å
977	H	82.4	Confident	78.5	Confident	19 Å²	19	71.8 Å²	71.8	9%	0.088	36%	0.359	C	S	.	.	H	α-helix	trans	-85.2	-36	171.3	175.3	57.6	0	0	0	113	C964 F968 N973 L974 I975 R979 I980 H981	C964-H977 PolarHBondContact SG-NE2 3.1Å; F968-H977 HydrophobicContact CE1-CB 3.92Å; F968-H977 AromaticContact CE1-CG 3.98Å; F968-H977 HydrophobicContact CE2-CB 4.2Å; F968-H977 AromaticContact CE2-CD2 3.28Å; F968-H977 WeakPolarHBondContact CE2-CD2 3.13Å; F968-H977 AromaticContact CE2-CG 3.83Å; F968-H977 AromaticContact CE2-NE2 3.99Å; F968-H977 HydrophobicContact CZ-CB 3.66Å; F968-H977 AromaticContact CZ-CD2 3.17Å; F968-H977 WeakPolarHBondContact CZ-CD2 3.45Å; F968-H977 AromaticContact CZ-CG 3.27Å; F968-H977 AromaticContact CZ-ND1 3.95Å; F968-H977 AromaticContact CZ-NE2 3.77Å; N973-H977 VanDerWaalsContact O-CB 3.25Å; N973-H977 WeakPolarHBondContact O-CB 3.41Å; N973-H977 PolarHBondContact O-N 3.37Å; L974-H977 CarbonylContact O-C 3.29Å; L974-H977 WeakPolarHBondContact O-CA 3.46Å; L974-H977 WeakPolarHBondContact O-CB 3.34Å; L974-H977 PolarHBondContact O-N 3.13Å; I975-H977 PolarHBondContact O-N 3.48Å; H977-R979 PolarHBondContact O-N 3.49Å; H977-I980 VanDerWaalsContact O-CB 3.23Å; H977-I980 WeakPolarHBondContact O-CB 3.5Å; H977-I980 WeakPolarHBondContact O-CG1 3.25Å; H977-I980 PolarHBondContact O-N 3.23Å; H977-H981 AromaticContact CD2-NE2 3.72Å; H977-H981 AromaticContact CE1-CE1 3.73Å; H977-H981 AromaticContact CE1-NE2 3.38Å; H977-H981 PolarHBondContact CE1-NE2 3.14Å; H977-H981 AromaticContact NE2-CE1 3.71Å; H977-H981 AromaticContact NE2-NE2 3.01Å; H977-H981 PolarHBondContact NE2-NE2 3.45Å
978	Q	77.4	Confident	78.6	Confident	65 Å²	65	72.9 Å²	72.9	30%	0.304	36%	0.364	S	S	.	.	H	α-helix	trans	-62.1	-33.9	175.4	-72.5	179.2	-87.5	0	0	111.7	L974 I975 I980 H981 T982	L974-Q978 HydrophobicContact CD1-CG 3.91Å; L974-Q978 HydrophobicContact CG-CG 4.36Å; L974-Q978 WeakPolarHBondContact O-CG 3.4Å; L974-Q978 PolarHBondContact O-N 3.08Å; I975-Q978 PolarHBondContact O-N 3.11Å; Q978-I980 PolarHBondContact O-N 2.88Å; Q978-H981 PolarHBondContact O-N 3.19Å; Q978-T982 PolarHBondContact O-N 2.81Å; Q978-T982 PolarHBondContact O-OG1 3.44Å
979	R	83.6	Confident	79.1	Confident	48 Å²	48	71 Å²	71	18%	0.181	36%	0.356	C	S	.	.	H	α-helix	trans	-57.5	-12.8	168.8	-67.5	-172.2	176	161.7	0.6	115.4	I975 H977 G983 E984 Y987 N997	I975-R979 PolarHBondContact O-N 3.27Å; H977-R979 PolarHBondContact O-N 3.49Å; R979-G983 CarbonylContact O-C 3.46Å; R979-G983 PolarHBondContact O-N 3.26Å; R979-E984 HydrophobicContact CB-CB 4.08Å; R979-E984 HydrophobicContact CG-CB 3.85Å; R979-E984 IonicContact NE-OE2 4Å; R979-E984 PolarHBondContact O-N 3.45Å; R979-Y987 PolarHBondContact NH1-OH 2.92Å; R979-N997 HydrophobicContact CB-CB 4.29Å; R979-N997 PolarHBondContact NH1-O 3.31Å
980	I	80	Confident	79.5	Confident	105 Å²	105	78.3 Å²	78.3	54%	0.538	38%	0.383	S	S	.	.	H	α-helix	trans	-83.5	-30.6	172.8	-52.5	-179.5	0	0	0	110.5	H977 Q978	H977-I980 VanDerWaalsContact O-CB 3.23Å; H977-I980 WeakPolarHBondContact O-CB 3.5Å; H977-I980 WeakPolarHBondContact O-CG1 3.25Å; H977-I980 PolarHBondContact O-N 3.23Å; Q978-I980 PolarHBondContact O-N 2.88Å
981	H	75.4	Confident	79.7	Confident	75 Å²	75	81.9 Å²	81.9	35%	0.347	40%	0.399	S	S	.	.	H	α-helix	trans	-84.3	-39.8	176.2	-52.2	-53.7	0	0	0	111.9	C961 E963 C964 H977 Q978 G983	C961-H981 PolarHBondContact SG-NE2 3.22Å; C961-H981 VanDerWaalsContact SG-NE2 3.38Å; E963-H981 HydrophobicContact CG-CB 4.33Å; E963-H981 IonicContact OE1-CD2 3.93Å; E963-H981 IonicContact OE1-CG 3.51Å; E963-H981 IonicContact OE2-CD2 3.11Å; C964-H981 VanDerWaalsContact SG-CE1 3.6Å; C964-H981 PolarHBondContact SG-NE2 2.85Å; H977-H981 AromaticContact CD2-NE2 3.72Å; H977-H981 AromaticContact CE1-CE1 3.73Å; H977-H981 AromaticContact CE1-NE2 3.38Å; H977-H981 PolarHBondContact CE1-NE2 3.14Å; H977-H981 AromaticContact NE2-CE1 3.71Å; H977-H981 AromaticContact NE2-NE2 3.01Å; H977-H981 PolarHBondContact NE2-NE2 3.45Å; Q978-H981 PolarHBondContact O-N 3.19Å; H981-G983 VanDerWaalsContact C-N 3.27Å; H981-G983 PolarHBondContact O-N 2.91Å
982	T	74.2	Confident	79.9	Confident	76 Å²	76	76.9 Å²	76.9	47%	0.466	39%	0.388	S	S	.	.	S	Bend	trans	-79.3	-7	176.3	63.8	0	0	0	0	113.6	Q978 E984	Q978-T982 PolarHBondContact O-N 2.81Å; Q978-T982 PolarHBondContact O-OG1 3.44Å; T982-E984 WeakPolarHBondContact CB-OE1 3.23Å; T982-E984 PolarHBondContact O-N 3.33Å; T982-E984 VanDerWaalsContact O-N 3.11Å; T982-E984 VanDerWaalsContact OG1-CD 3.27Å; T982-E984 WeakPolarHBondContact OG1-CG 3.39Å; T982-E984 PolarHBondContact OG1-OE1 3.01Å
983	G	77.3	Confident	80.1	Confident	48 Å²	48	74.5 Å²	74.5	50%	0.495	38%	0.376	S	S	.	.			trans	69.3	-1.2	-176.4	0	0	0	0	0	115.2	R979 H981 K985	R979-G983 CarbonylContact O-C 3.46Å; R979-G983 PolarHBondContact O-N 3.26Å; H981-G983 VanDerWaalsContact C-N 3.27Å; H981-G983 PolarHBondContact O-N 2.91Å; G983-K985 PolarHBondContact O-N 2.87Å
984	E	76.3	Confident	80.1	Confident	92 Å²	92	77.4 Å²	77.4	43%	0.43	39%	0.385	S	S	.	.			trans	-53.1	120	-177.5	-83.5	168.4	-118	0	0	113.1	R979 T982 P986 N997	R979-E984 HydrophobicContact CB-CB 4.08Å; R979-E984 HydrophobicContact CG-CB 3.85Å; R979-E984 IonicContact NE-OE2 4Å; R979-E984 PolarHBondContact O-N 3.45Å; T982-E984 WeakPolarHBondContact CB-OE1 3.23Å; T982-E984 PolarHBondContact O-N 3.33Å; T982-E984 VanDerWaalsContact O-N 3.11Å; T982-E984 VanDerWaalsContact OG1-CD 3.27Å; T982-E984 WeakPolarHBondContact OG1-CG 3.39Å; T982-E984 PolarHBondContact OG1-OE1 3.01Å; E984-P986 WeakPolarHBondContact O-CD 3.48Å; E984-N997 WeakPolarHBondContact O-CB 3.37Å
985	K	82	Confident	80.1	Confident	132 Å²	132	79 Å²	79	57%	0.574	40%	0.397	S	S	*	.			trans	-123.7	72.4	173.7	-69.7	163.7	173.8	179.8	0	110.8	G983 Y987 C995 F996	G983-K985 PolarHBondContact O-N 2.87Å; K985-Y987 PolarHBondContact O-N 3.06Å; K985-Y987 VanDerWaalsContact O-N 3.12Å; K985-C995 HydrophobicContact CB-CB 3.6Å; K985-C995 HydrophobicContact CD-CB 4.25Å; K985-C995 WeakPolarHBondContact CD-O 3.43Å; K985-F996 CarbonylContact C-O 3.55Å; K985-F996 VanDerWaalsContact CA-O 3.25Å; K985-F996 WeakPolarHBondContact CA-O 3.41Å
986	P	77.3	Confident	80	Confident	70 Å²	70	77.8 Å²	77.8	46%	0.455	39%	0.389	S	S	.	.			trans	-67.7	-13.6	-170.7	-21.4	35.4	0	0	0	115	E984	E984-P986 WeakPolarHBondContact O-CD 3.48Å
987	Y	80.5	Confident	80	Confident	74 Å²	74	77.9 Å²	77.9	29%	0.29	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	88.8	-173.7	-52.1	-70.5	0	0	0	110.1	R979 K985 C995 F996 N997 S999	R979-Y987 PolarHBondContact NH1-OH 2.92Å; K985-Y987 PolarHBondContact O-N 3.06Å; K985-Y987 VanDerWaalsContact O-N 3.12Å; Y987-C995 WeakPolarHBondContact O-CA 3.4Å; Y987-F996 WeakPolarHBondContact CD2-O 3.2Å; Y987-F996 PolarHBondContact N-O 3.36Å; Y987-F996 VanDerWaalsContact N-O 3.1Å; Y987-F996 PolarHBondContact O-N 3Å; Y987-N997 WeakPolarHBondContact CE2-O 3.42Å; Y987-S999 VanDerWaalsContact CD2-N 3.29Å
988	K	82.4	Confident	79.7	Confident	137 Å²	137	80.5 Å²	80.5	60%	0.596	40%	0.4	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.3	130	175.9	-177	168.2	-177.2	-177.1	0	111.4	G993	K988-G993 WeakPolarHBondContact CE-O 3.48Å
989	C	87.3	Confident	79.8	Confident	1 Å²	1	80.1 Å²	80.1	1%	0.007	41%	0.405	C	S	.	.			trans	-68.8	132.5	166.8	170.4	0	0	0	0	110.1	E991 C992 G993 K994 L1002 H1009	C989-E991 PolarHBondContact SG-N 2.7Å; C989-E991 VanDerWaalsContact SG-N 3.43Å; C989-E991 PolarHBondContact SG-OE2 3.39Å; C989-C992 PolarHBondContact SG-N 2.72Å; C989-C992 VanDerWaalsContact SG-N 3.4Å; C989-C992 VanDerWaalsContact SG-SG 3.64Å; C989-G993 VanDerWaalsContact O-CA 3.22Å; C989-G993 WeakPolarHBondContact O-CA 3.42Å; C989-G993 PolarHBondContact O-N 3.34Å; C989-G993 VanDerWaalsContact O-N 3.11Å; C989-K994 WeakPolarHBondContact CB-O 3.29Å; C989-K994 PolarHBondContact N-O 3.18Å; C989-L1002 HydrophobicContact CB-CD1 3.62Å; C989-H1009 PolarHBondContact SG-NE2 3.45Å
990	R	80.9	Confident	79.7	Confident	242 Å²	242	80.6 Å²	80.6	91%	0.913	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-35.5	177.9	-70.6	-172.7	175.3	-166	-2.2	112
991	E	79.6	Confident	79.8	Confident	99 Å²	99	77.6 Å²	77.6	46%	0.463	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-38.9	-175.7	-58.3	109.2	140.2	0	0	114.2	C989 H1009	C989-E991 PolarHBondContact SG-N 2.7Å; C989-E991 VanDerWaalsContact SG-N 3.43Å; C989-E991 PolarHBondContact SG-OE2 3.39Å; E991-H1009 HydrophobicContact CG-CB 4.44Å; E991-H1009 IonicContact OE2-CD2 2.75Å
992	C	81.9	Confident	80.3	Confident	50 Å²	50	75 Å²	75	34%	0.338	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-130.4	12.8	-176.4	77	0	0	0	0	114.7	C989 K994 H1005 H1009	C989-C992 PolarHBondContact SG-N 2.72Å; C989-C992 VanDerWaalsContact SG-N 3.4Å; C989-C992 VanDerWaalsContact SG-SG 3.64Å; C992-K994 PolarHBondContact O-N 3Å; C992-H1005 PolarHBondContact SG-NE2 2.91Å; C992-H1009 VanDerWaalsContact SG-CE1 3.57Å; C992-H1009 PolarHBondContact SG-NE2 3Å; C992-H1009 VanDerWaalsContact SG-NE2 3.42Å
993	G	80.1	Confident	80.7	Confident	31 Å²	31	75.7 Å²	75.7	32%	0.32	39%	0.393	S	S	.	.			trans	69.3	-9.3	174.8	0	0	0	0	0	117.1	K988 C989 C995	K988-G993 WeakPolarHBondContact CE-O 3.48Å; C989-G993 VanDerWaalsContact O-CA 3.22Å; C989-G993 WeakPolarHBondContact O-CA 3.42Å; C989-G993 PolarHBondContact O-N 3.34Å; C989-G993 VanDerWaalsContact O-N 3.11Å; G993-C995 PolarHBondContact O-N 3.5Å; G993-C995 PolarHBondContact O-SG 3.35Å; G993-C995 VanDerWaalsContact O-SG 3.37Å
994	K	81.3	Confident	80.9	Confident	130 Å²	130	76.2 Å²	76.2	57%	0.565	38%	0.383	S	S	*	.			trans	-62.4	130.6	-177	-68.4	177.7	-176.2	177.2	0	111.8	C989 C992 F996	C989-K994 WeakPolarHBondContact CB-O 3.29Å; C989-K994 PolarHBondContact N-O 3.18Å; C992-K994 PolarHBondContact O-N 3Å; K994-F996 HydrophobicContact CB-CE2 4.01Å; K994-F996 HydrophobicContact CB-CZ 4.14Å; K994-F996 WeakPolarHBondContact O-CE2 3.17Å
995	C	80.8	Confident	81.3	Confident	53 Å²	53	72.8 Å²	72.8	36%	0.358	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	138.8	-175.3	-58.5	0	0	0	0	112.9	K985 Y987 G993	K985-C995 HydrophobicContact CB-CB 3.6Å; K985-C995 HydrophobicContact CD-CB 4.25Å; K985-C995 WeakPolarHBondContact CD-O 3.43Å; Y987-C995 WeakPolarHBondContact O-CA 3.4Å; G993-C995 PolarHBondContact O-N 3.5Å; G993-C995 PolarHBondContact O-SG 3.35Å; G993-C995 VanDerWaalsContact O-SG 3.37Å
996	F	80	Confident	81.3	Confident	47 Å²	47	69.5 Å²	69.5	21%	0.206	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	150.8	-176.7	-57.7	-89.6	0	0	0	112.3	K985 Y987 K994 L1002 H1005	K985-F996 CarbonylContact C-O 3.55Å; K985-F996 VanDerWaalsContact CA-O 3.25Å; K985-F996 WeakPolarHBondContact CA-O 3.41Å; Y987-F996 WeakPolarHBondContact CD2-O 3.2Å; Y987-F996 PolarHBondContact N-O 3.36Å; Y987-F996 VanDerWaalsContact N-O 3.1Å; Y987-F996 PolarHBondContact O-N 3Å; K994-F996 HydrophobicContact CB-CE2 4.01Å; K994-F996 HydrophobicContact CB-CZ 4.14Å; K994-F996 WeakPolarHBondContact O-CE2 3.17Å; F996-L1002 HydrophobicContact CB-CB 4.47Å; F996-L1002 HydrophobicContact CD2-CB 4.01Å; F996-L1002 HydrophobicContact CD2-CD1 4.03Å; F996-L1002 HydrophobicContact CE2-CD1 4.19Å; F996-L1002 HydrophobicContact CG-CB 4.44Å; F996-H1005 HydrophobicContact CE1-CB 4.21Å; F996-H1005 HydrophobicContact CE2-CB 3.96Å; F996-H1005 AromaticContact CE2-CD2 3.39Å; F996-H1005 WeakPolarHBondContact CE2-CD2 3.49Å; F996-H1005 AromaticContact CE2-CG 3.71Å; F996-H1005 HydrophobicContact CZ-CB 3.59Å; F996-H1005 AromaticContact CZ-CD2 3.51Å; F996-H1005 AromaticContact CZ-CG 3.36Å; F996-H1005 AromaticContact CZ-ND1 3.96Å
997	N	78.6	Confident	81.6	Confident	41 Å²	41	68.6 Å²	68.6	22%	0.219	34%	0.342	C	S	.	.	S	Bend	trans	-83.7	-14.3	178.3	60.7	5.3	0	0	0	114	R979 E984 Y987	R979-N997 HydrophobicContact CB-CB 4.29Å; R979-N997 PolarHBondContact NH1-O 3.31Å; E984-N997 WeakPolarHBondContact O-CB 3.37Å; Y987-N997 WeakPolarHBondContact CE2-O 3.42Å
998	Q	77.6	Confident	81.6	Confident	74 Å²	74	70 Å²	70	35%	0.346	35%	0.353	S	S	.	.	S	Bend	trans	-132.9	139.2	178.4	-63.9	177.2	45.8	0	0	110.6	T976 S1000 S1001 L1002	T976-Q998 HydrophobicContact CG2-CG 4.2Å; Q998-S1000 VanDerWaalsContact C-N 3.32Å; Q998-S1000 PolarHBondContact O-N 3.08Å; Q998-S1001 WeakPolarHBondContact O-CB 3.23Å; Q998-S1001 PolarHBondContact O-N 2.93Å; Q998-L1002 PolarHBondContact O-N 3.08Å
999	S	79.5	Confident	81.5	Confident	58 Å²	58	67.2 Å²	67.2	41%	0.406	34%	0.342	S	S	.	.	H	α-helix	trans	-68	-30.4	-179.4	51.2	0	0	0	0	113.2	Y987 S1001 L1002 I1003	Y987-S999 VanDerWaalsContact CD2-N 3.29Å; S999-S1001 VanDerWaalsContact C-N 3.3Å; S999-S1001 PolarHBondContact O-N 3.41Å; S999-L1002 PolarHBondContact O-N 3.39Å; S999-I1003 WeakPolarHBondContact O-CG1 3.45Å; S999-I1003 PolarHBondContact O-N 2.97Å
1000	S	79.9	Confident	81.1	Confident	58 Å²	58	71 Å²	71	41%	0.406	37%	0.365	S	S	.	.	H	α-helix	trans	-58.9	-40.1	171.5	44.6	0	0	0	0	112.4	Q998 I1003 I1004	Q998-S1000 VanDerWaalsContact C-N 3.32Å; Q998-S1000 PolarHBondContact O-N 3.08Å; S1000-I1003 PolarHBondContact O-N 2.83Å; S1000-I1004 VanDerWaalsContact O-CG1 3.29Å; S1000-I1004 WeakPolarHBondContact O-CG1 3.46Å; S1000-I1004 PolarHBondContact O-N 3.31Å
1001	S	82.6	Confident	81	Confident	41 Å²	41	61.7 Å²	61.7	29%	0.287	35%	0.345	S	S	.	.	H	α-helix	trans	-67.3	-39.3	176.1	-54	0	0	0	0	111.7	Q998 S999 H1005	Q998-S1001 WeakPolarHBondContact O-CB 3.23Å; Q998-S1001 PolarHBondContact O-N 2.93Å; S999-S1001 VanDerWaalsContact C-N 3.3Å; S999-S1001 PolarHBondContact O-N 3.41Å; S1001-H1005 VanDerWaalsContact O-CB 3.26Å; S1001-H1005 WeakPolarHBondContact O-CB 3.39Å; S1001-H1005 PolarHBondContact O-N 2.98Å
1002	L	85.4	Confident	81	Confident	22 Å²	22	61.8 Å²	61.8	12%	0.115	35%	0.345	C	S	.	.	H	α-helix	trans	-61.8	-48.2	172.6	172.9	59.6	0	0	0	111.3	C989 F996 Q998 S999 I1004 H1005 Q1006	C989-L1002 HydrophobicContact CB-CD1 3.62Å; F996-L1002 HydrophobicContact CB-CB 4.47Å; F996-L1002 HydrophobicContact CD2-CB 4.01Å; F996-L1002 HydrophobicContact CD2-CD1 4.03Å; F996-L1002 HydrophobicContact CE2-CD1 4.19Å; F996-L1002 HydrophobicContact CG-CB 4.44Å; Q998-L1002 PolarHBondContact O-N 3.08Å; S999-L1002 PolarHBondContact O-N 3.39Å; L1002-I1004 PolarHBondContact O-N 3.22Å; L1002-H1005 CarbonylContact O-C 3.59Å; L1002-H1005 WeakPolarHBondContact O-CA 3.27Å; L1002-H1005 WeakPolarHBondContact O-CB 3.32Å; L1002-H1005 PolarHBondContact O-N 2.94Å; L1002-H1005 VanDerWaalsContact O-N 3.07Å; L1002-Q1006 HydrophobicContact CD1-CG 3.92Å; L1002-Q1006 HydrophobicContact CG-CG 4.37Å; L1002-Q1006 WeakPolarHBondContact O-CG 3.27Å; L1002-Q1006 PolarHBondContact O-N 3.07Å
1003	I	82.9	Confident	81.1	Confident	90 Å²	90	65 Å²	65	46%	0.462	35%	0.353	S	S	.	.	H	α-helix	trans	-62.2	-42.7	-179.7	-66.9	163.2	0	0	0	111.4	S999 S1000 H1005 Q1006 R1007	S999-I1003 WeakPolarHBondContact O-CG1 3.45Å; S999-I1003 PolarHBondContact O-N 2.97Å; S1000-I1003 PolarHBondContact O-N 2.83Å; I1003-H1005 VanDerWaalsContact C-N 3.26Å; I1003-H1005 PolarHBondContact O-N 3.48Å; I1003-Q1006 PolarHBondContact O-N 3.43Å; I1003-R1007 PolarHBondContact O-N 3.08Å
1004	I	82.2	Confident	81.1	Confident	58 Å²	58	66.8 Å²	66.8	30%	0.297	36%	0.359	S	S	.	.	H	α-helix	trans	-64.3	-33.8	175.3	-68.1	166.2	0	0	0	111.1	S1000 L1002 N1026	S1000-I1004 VanDerWaalsContact O-CG1 3.29Å; S1000-I1004 WeakPolarHBondContact O-CG1 3.46Å; S1000-I1004 PolarHBondContact O-N 3.31Å; L1002-I1004 PolarHBondContact O-N 3.22Å; I1004-N1026 HydrophobicContact CG2-CB 4.24Å
1005	H	83.8	Confident	81.1	Confident	20 Å²	20	63.9 Å²	63.9	9%	0.093	35%	0.345	C	S	.	.	H	α-helix	trans	-73.4	-38	176.2	170.3	64	0	0	0	113.1	C992 F996 S1001 L1002 I1003 R1007 I1008 H1009	C992-H1005 PolarHBondContact SG-NE2 2.91Å; F996-H1005 HydrophobicContact CE1-CB 4.21Å; F996-H1005 HydrophobicContact CE2-CB 3.96Å; F996-H1005 AromaticContact CE2-CD2 3.39Å; F996-H1005 WeakPolarHBondContact CE2-CD2 3.49Å; F996-H1005 AromaticContact CE2-CG 3.71Å; F996-H1005 HydrophobicContact CZ-CB 3.59Å; F996-H1005 AromaticContact CZ-CD2 3.51Å; F996-H1005 AromaticContact CZ-CG 3.36Å; F996-H1005 AromaticContact CZ-ND1 3.96Å; S1001-H1005 VanDerWaalsContact O-CB 3.26Å; S1001-H1005 WeakPolarHBondContact O-CB 3.39Å; S1001-H1005 PolarHBondContact O-N 2.98Å; L1002-H1005 CarbonylContact O-C 3.59Å; L1002-H1005 WeakPolarHBondContact O-CA 3.27Å; L1002-H1005 WeakPolarHBondContact O-CB 3.32Å; L1002-H1005 PolarHBondContact O-N 2.94Å; L1002-H1005 VanDerWaalsContact O-N 3.07Å; I1003-H1005 VanDerWaalsContact C-N 3.26Å; I1003-H1005 PolarHBondContact O-N 3.48Å; H1005-R1007 PolarHBondContact O-N 3.21Å; H1005-I1008 WeakPolarHBondContact O-CB 3.2Å; H1005-I1008 WeakPolarHBondContact O-CG1 3.46Å; H1005-I1008 PolarHBondContact O-N 3.46Å; H1005-H1009 AromaticContact CD2-NE2 3.84Å; H1005-H1009 AromaticContact CE1-CE1 3.73Å; H1005-H1009 AromaticContact CE1-NE2 3.34Å; H1005-H1009 PolarHBondContact CE1-NE2 3.47Å; H1005-H1009 VanDerWaalsContact CE1-NE2 3.34Å; H1005-H1009 AromaticContact NE2-CE1 3.81Å; H1005-H1009 AromaticContact NE2-NE2 3.03Å; H1005-H1009 PolarHBondContact NE2-NE2 2.99Å
1006	Q	82.6	Confident	81.3	Confident	64 Å²	64	67.8 Å²	67.8	30%	0.299	36%	0.357	S	S	.	.	H	α-helix	trans	-61.6	-31.3	176.4	-72	-179.7	-80.2	0	0	112.4	L1002 I1003 I1008 H1009 T1010	L1002-Q1006 HydrophobicContact CD1-CG 3.92Å; L1002-Q1006 HydrophobicContact CG-CG 4.37Å; L1002-Q1006 WeakPolarHBondContact O-CG 3.27Å; L1002-Q1006 PolarHBondContact O-N 3.07Å; I1003-Q1006 PolarHBondContact O-N 3.43Å; Q1006-I1008 PolarHBondContact O-N 3.24Å; Q1006-I1008 VanDerWaalsContact O-N 3.11Å; Q1006-H1009 PolarHBondContact O-N 3.15Å; Q1006-T1010 PolarHBondContact O-N 2.81Å
1007	R	84.1	Confident	81.7	Confident	51 Å²	51	65.8 Å²	65.8	19%	0.192	35%	0.348	C	S	.	.	H	α-helix	trans	-62.7	-11.3	170.8	-67.2	-175.3	176.2	157.1	4	115.2	I1003 H1005 G1011 E1012 N1025	I1003-R1007 PolarHBondContact O-N 3.08Å; H1005-R1007 PolarHBondContact O-N 3.21Å; R1007-G1011 CarbonylContact O-C 3.55Å; R1007-G1011 PolarHBondContact O-N 2.94Å; R1007-E1012 HydrophobicContact CB-CB 4.08Å; R1007-E1012 HydrophobicContact CG-CB 3.87Å; R1007-E1012 IonicContact NE-OE2 2.67Å; R1007-E1012 PolarHBondContact O-N 3.16Å; R1007-N1025 HydrophobicContact CB-CB 4.19Å; R1007-N1025 PolarHBondContact NH1-O 3.02Å; R1007-N1025 VanDerWaalsContact NH1-O 3.14Å
1008	I	80.5	Confident	81.9	Confident	103 Å²	103	70.5 Å²	70.5	53%	0.528	38%	0.378	S	S	.	.	H	α-helix	trans	-77.5	-40.1	171.1	-54.9	176.5	0	0	0	109.4	H1005 Q1006	H1005-I1008 WeakPolarHBondContact O-CB 3.2Å; H1005-I1008 WeakPolarHBondContact O-CG1 3.46Å; H1005-I1008 PolarHBondContact O-N 3.46Å; Q1006-I1008 PolarHBondContact O-N 3.24Å; Q1006-I1008 VanDerWaalsContact O-N 3.11Å
1009	H	80.3	Confident	82.1	Confident	79 Å²	79	72.2 Å²	72.2	37%	0.366	39%	0.386	S	S	.	.	H	α-helix	trans	-74.8	-41	178.1	-52	-50.2	0	0	0	112.2	C989 E991 C992 H1005 Q1006 G1011	C989-H1009 PolarHBondContact SG-NE2 3.45Å; E991-H1009 HydrophobicContact CG-CB 4.44Å; E991-H1009 IonicContact OE2-CD2 2.75Å; C992-H1009 VanDerWaalsContact SG-CE1 3.57Å; C992-H1009 PolarHBondContact SG-NE2 3Å; C992-H1009 VanDerWaalsContact SG-NE2 3.42Å; H1005-H1009 AromaticContact CD2-NE2 3.84Å; H1005-H1009 AromaticContact CE1-CE1 3.73Å; H1005-H1009 AromaticContact CE1-NE2 3.34Å; H1005-H1009 PolarHBondContact CE1-NE2 3.47Å; H1005-H1009 VanDerWaalsContact CE1-NE2 3.34Å; H1005-H1009 AromaticContact NE2-CE1 3.81Å; H1005-H1009 AromaticContact NE2-NE2 3.03Å; H1005-H1009 PolarHBondContact NE2-NE2 2.99Å; Q1006-H1009 PolarHBondContact O-N 3.15Å; H1009-G1011 VanDerWaalsContact C-N 3.26Å; H1009-G1011 PolarHBondContact O-N 3.36Å
1010	T	79.4	Confident	82.4	Confident	79 Å²	79	72 Å²	72	49%	0.485	39%	0.385	S	S	.	.	S	Bend	trans	-80.1	-4.7	177	66.6	0	0	0	0	113.9	Q1006 E1012	Q1006-T1010 PolarHBondContact O-N 2.81Å; T1010-E1012 PolarHBondContact O-N 3.42Å; T1010-E1012 VanDerWaalsContact O-N 3.08Å; T1010-E1012 WeakPolarHBondContact OG1-CG 3.43Å
1011	G	78.8	Confident	82.4	Confident	48 Å²	48	72.1 Å²	72.1	50%	0.495	40%	0.395	S	S	.	.			trans	66.3	1.8	-175.5	0	0	0	0	0	115.4	R1007 H1009 K1013	R1007-G1011 CarbonylContact O-C 3.55Å; R1007-G1011 PolarHBondContact O-N 2.94Å; H1009-G1011 VanDerWaalsContact C-N 3.26Å; H1009-G1011 PolarHBondContact O-N 3.36Å; G1011-K1013 PolarHBondContact O-N 3.02Å
1012	E	79.6	Confident	82.5	Confident	100 Å²	100	76.4 Å²	76.4	47%	0.467	41%	0.408	S	S	.	.			trans	-57.8	120.1	-176.2	-86.4	-177.9	-154	0	0	113	R1007 T1010 P1014 N1025	R1007-E1012 HydrophobicContact CB-CB 4.08Å; R1007-E1012 HydrophobicContact CG-CB 3.87Å; R1007-E1012 IonicContact NE-OE2 2.67Å; R1007-E1012 PolarHBondContact O-N 3.16Å; T1010-E1012 PolarHBondContact O-N 3.42Å; T1010-E1012 VanDerWaalsContact O-N 3.08Å; T1010-E1012 WeakPolarHBondContact OG1-CG 3.43Å; E1012-P1014 WeakPolarHBondContact O-CD 3.48Å; E1012-N1025 WeakPolarHBondContact O-CB 3.45Å
1013	K	82.6	Confident	82.3	Confident	117 Å²	117	77.8 Å²	77.8	51%	0.509	42%	0.416	S	S	.	.			trans	-122.1	77.3	172.7	-64.6	168.1	-177.7	178.5	0	111.2	G1011 Y1015 D1023 F1024	G1011-K1013 PolarHBondContact O-N 3.02Å; K1013-Y1015 PolarHBondContact O-N 3.19Å; K1013-Y1015 VanDerWaalsContact O-N 3.14Å; K1013-D1023 HydrophobicContact CB-CB 3.79Å; K1013-D1023 HydrophobicContact CD-CB 3.8Å; K1013-D1023 HydrophobicContact CG-CB 4.39Å; K1013-F1024 CarbonylContact C-O 3.33Å; K1013-F1024 WeakPolarHBondContact CA-O 3.36Å
1014	P	81.1	Confident	82.3	Confident	69 Å²	69	75.5 Å²	75.5	45%	0.448	40%	0.403	S	S	.	.			trans	-70.2	-9.3	-173.3	-20.3	34.7	0	0	0	115	E1012	E1012-P1014 WeakPolarHBondContact O-CD 3.48Å
1015	Y	81.8	Confident	82.3	Confident	69 Å²	69	74.6 Å²	74.6	27%	0.271	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	87.7	-174.8	-53.3	-70.7	0	0	0	110.5	K1013 F1024 S1027 F1030	K1013-Y1015 PolarHBondContact O-N 3.19Å; K1013-Y1015 VanDerWaalsContact O-N 3.14Å; Y1015-F1024 WeakPolarHBondContact CD2-O 3.47Å; Y1015-F1024 PolarHBondContact N-O 3.32Å; Y1015-F1024 VanDerWaalsContact N-O 3.14Å; Y1015-F1024 PolarHBondContact O-N 2.8Å; Y1015-S1027 VanDerWaalsContact CE2-N 3.28Å; Y1015-F1030 HydrophobicContact CD1-CD1 4.26Å; Y1015-F1030 HydrophobicContact CG-CB 4.37Å; Y1015-F1030 HydrophobicContact CG-CD1 4.3Å
1016	K	84.1	Confident	82.2	Confident	136 Å²	136	74.8 Å²	74.8	59%	0.591	40%	0.4	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.8	138.6	176.4	-52.3	-148.4	168.7	-126.9	0	111.4	D1023 F1030	K1016-D1023 WeakPolarHBondContact CA-OD1 3.48Å; K1016-D1023 VanDerWaalsContact CB-OD1 3.24Å; K1016-D1023 WeakPolarHBondContact CB-OD1 3.31Å; K1016-D1023 VanDerWaalsContact CD-OD1 3.25Å; K1016-D1023 WeakPolarHBondContact CD-OD1 3.1Å; K1016-D1023 WeakPolarHBondContact CE-OD2 3.36Å; K1016-D1023 WeakPolarHBondContact CG-OD1 3.28Å; K1016-D1023 IonicContact NZ-OD1 3.61Å; K1016-D1023 IonicContact NZ-OD2 3.65Å; K1016-D1023 PolarHBondContact NZ-OD2 3.41Å; K1016-F1030 WeakPolarHBondContact O-CE2 3.5Å
1017	C	88.4	Confident	82.2	Confident	4 Å²	4	74.1 Å²	74.1	3%	0.027	40%	0.402	C	S	.	.			trans	-89	115.5	170.5	-177.1	0	0	0	0	111.1	E1019 G1021 K1022 F1024 F1030 H1033 H1037	C1017-E1019 PolarHBondContact O-N 3.27Å; C1017-E1019 PolarHBondContact SG-N 3.33Å; C1017-G1021 VanDerWaalsContact O-CA 3.26Å; C1017-G1021 WeakPolarHBondContact O-CA 3.42Å; C1017-G1021 PolarHBondContact O-N 3.08Å; C1017-K1022 VanDerWaalsContact CB-O 3.24Å; C1017-K1022 WeakPolarHBondContact CB-O 3.4Å; C1017-K1022 PolarHBondContact N-O 3.1Å; C1017-F1024 HydrophobicContact CB-CE2 4.5Å; C1017-F1030 HydrophobicContact CB-CE2 4.13Å; C1017-H1033 PolarHBondContact SG-NE2 2.93Å; C1017-H1033 VanDerWaalsContact SG-NE2 3.45Å; C1017-H1037 PolarHBondContact SG-NE2 3.22Å
1018	T	82.7	Confident	82	Confident	140 Å²	140	75.6 Å²	75.6	86%	0.859	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-20.1	176.2	49.2	0	0	0	0	113.8
1019	E	81.8	Confident	82.1	Confident	110 Å²	110	75.8 Å²	75.8	51%	0.514	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-20.8	-174.7	-63.5	166.2	120.6	0	0	113	C1017 H1037	C1017-E1019 PolarHBondContact O-N 3.27Å; C1017-E1019 PolarHBondContact SG-N 3.33Å; E1019-H1037 IonicContact OE2-CD2 2.89Å; E1019-H1037 PolarHBondContact OE2-CD2 3.09Å; E1019-H1037 VanDerWaalsContact OE2-CD2 3.27Å; E1019-H1037 IonicContact OE2-CG 3.77Å
1020	C	85.1	Confident	82.3	Confident	55 Å²	55	73.7 Å²	73.7	37%	0.372	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-151.4	16.5	178.6	80.5	0	0	0	0	115.3	K1022 H1033 H1037	C1020-K1022 PolarHBondContact O-N 2.88Å; C1020-H1033 PolarHBondContact SG-CE1 3.31Å; C1020-H1033 PolarHBondContact SG-NE2 3.45Å; C1020-H1037 VanDerWaalsContact SG-CE1 3.56Å; C1020-H1037 PolarHBondContact SG-NE2 3.11Å; C1020-H1037 VanDerWaalsContact SG-NE2 3.39Å
1021	G	81.5	Confident	82.5	Confident	60 Å²	60	71.7 Å²	71.7	62%	0.619	40%	0.398	S	S	*	.			trans	67.8	0.9	176.2	0	0	0	0	0	116.9	C1017	C1017-G1021 VanDerWaalsContact O-CA 3.26Å; C1017-G1021 WeakPolarHBondContact O-CA 3.42Å; C1017-G1021 PolarHBondContact O-N 3.08Å
1022	K	83.1	Confident	82.7	Confident	131 Å²	131	71.2 Å²	71.2	57%	0.57	39%	0.39	S	S	*	.			trans	-75.6	129.6	-176.9	-70.9	-177.6	-179.1	-176.8	0	111.6	C1017 C1020 F1024	C1017-K1022 VanDerWaalsContact CB-O 3.24Å; C1017-K1022 WeakPolarHBondContact CB-O 3.4Å; C1017-K1022 PolarHBondContact N-O 3.1Å; C1020-K1022 PolarHBondContact O-N 2.88Å; K1022-F1024 HydrophobicContact CB-CE2 3.75Å; K1022-F1024 HydrophobicContact CB-CZ 3.94Å; K1022-F1024 WeakPolarHBondContact O-CD2 3.34Å; K1022-F1024 VanDerWaalsContact O-CE2 3.23Å; K1022-F1024 WeakPolarHBondContact O-CE2 3.38Å
1023	D	82.9	Confident	82.9	Confident	51 Å²	51	67.8 Å²	67.8	27%	0.273	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	133.3	-173.4	-78.4	-5.2	0	0	0	112.3	K1013 K1016	K1013-D1023 HydrophobicContact CB-CB 3.79Å; K1013-D1023 HydrophobicContact CD-CB 3.8Å; K1013-D1023 HydrophobicContact CG-CB 4.39Å; K1016-D1023 WeakPolarHBondContact CA-OD1 3.48Å; K1016-D1023 VanDerWaalsContact CB-OD1 3.24Å; K1016-D1023 WeakPolarHBondContact CB-OD1 3.31Å; K1016-D1023 VanDerWaalsContact CD-OD1 3.25Å; K1016-D1023 WeakPolarHBondContact CD-OD1 3.1Å; K1016-D1023 WeakPolarHBondContact CE-OD2 3.36Å; K1016-D1023 WeakPolarHBondContact CG-OD1 3.28Å; K1016-D1023 IonicContact NZ-OD1 3.61Å; K1016-D1023 IonicContact NZ-OD2 3.65Å; K1016-D1023 PolarHBondContact NZ-OD2 3.41Å
1024	F	81.6	Confident	82.9	Confident	41 Å²	41	67 Å²	67	18%	0.18	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	142.2	-175.1	-57.1	-94.4	0	0	0	112.8	K1013 Y1015 C1017 K1022 H1029 F1030 H1033	K1013-F1024 CarbonylContact C-O 3.33Å; K1013-F1024 WeakPolarHBondContact CA-O 3.36Å; Y1015-F1024 WeakPolarHBondContact CD2-O 3.47Å; Y1015-F1024 PolarHBondContact N-O 3.32Å; Y1015-F1024 VanDerWaalsContact N-O 3.14Å; Y1015-F1024 PolarHBondContact O-N 2.8Å; C1017-F1024 HydrophobicContact CB-CE2 4.5Å; K1022-F1024 HydrophobicContact CB-CE2 3.75Å; K1022-F1024 HydrophobicContact CB-CZ 3.94Å; K1022-F1024 WeakPolarHBondContact O-CD2 3.34Å; K1022-F1024 VanDerWaalsContact O-CE2 3.23Å; K1022-F1024 WeakPolarHBondContact O-CE2 3.38Å; F1024-H1029 HydrophobicContact CD1-CB 4.02Å; F1024-F1030 HydrophobicContact CB-CB 4.11Å; F1024-F1030 HydrophobicContact CD2-CB 4.14Å; F1024-F1030 HydrophobicContact CD2-CD2 4.16Å; F1024-F1030 HydrophobicContact CG-CB 4.22Å; F1024-H1033 HydrophobicContact CE1-CB 4.12Å; F1024-H1033 HydrophobicContact CE2-CB 4.08Å; F1024-H1033 AromaticContact CE2-CD2 3.21Å; F1024-H1033 WeakPolarHBondContact CE2-CD2 3.23Å; F1024-H1033 AromaticContact CE2-CG 3.74Å; F1024-H1033 AromaticContact CE2-NE2 3.91Å; F1024-H1033 HydrophobicContact CZ-CB 3.61Å; F1024-H1033 AromaticContact CZ-CD2 3.34Å; F1024-H1033 WeakPolarHBondContact CZ-CD2 3.2Å; F1024-H1033 AromaticContact CZ-CG 3.37Å; F1024-H1033 AromaticContact CZ-NE2 3.99Å
1025	N	82.8	Confident	83	Confident	40 Å²	40	72 Å²	72	21%	0.214	38%	0.378	C	S	.	.	S	Bend	trans	-77.8	-24.4	173.4	58.7	4.3	0	0	0	113.5	R1007 E1012	R1007-N1025 HydrophobicContact CB-CB 4.19Å; R1007-N1025 PolarHBondContact NH1-O 3.02Å; R1007-N1025 VanDerWaalsContact NH1-O 3.14Å; E1012-N1025 WeakPolarHBondContact O-CB 3.45Å
1026	N	81.9	Confident	82.9	Confident	24 Å²	24	72.9 Å²	72.9	13%	0.128	39%	0.39	C	S	.	.			trans	-119.4	124.2	-173.1	-178.5	3.2	0	0	0	112	I1004 S1028 H1029 F1030	I1004-N1026 HydrophobicContact CG2-CB 4.24Å; N1026-S1028 PolarHBondContact O-N 3.04Å; N1026-S1028 WeakPolarHBondContact OD1-CB 3.47Å; N1026-S1028 PolarHBondContact OD1-N 3.17Å; N1026-H1029 HydrophobicContact CB-CB 4.28Å; N1026-H1029 PolarHBondContact ND2-CD2 2.79Å; N1026-H1029 PolarHBondContact ND2-NE2 2.96Å; N1026-H1029 VanDerWaalsContact ND2-NE2 3.17Å; N1026-H1029 PolarHBondContact O-N 3.5Å; N1026-F1030 PolarHBondContact O-N 3.17Å
1027	S	81.3	Confident	82.6	Confident	49 Å²	49	68.7 Å²	68.7	34%	0.343	37%	0.373	S	S	.	.	H	α-helix	trans	-60.3	-29.5	179	-162.3	0	0	0	0	113.3	Y1015 S1031	Y1015-S1027 VanDerWaalsContact CE2-N 3.28Å; S1027-S1031 VanDerWaalsContact O-CB 3.27Å; S1027-S1031 WeakPolarHBondContact O-CB 3.38Å; S1027-S1031 PolarHBondContact O-N 2.9Å; S1027-S1031 PolarHBondContact O-OG 2.97Å
1028	S	81.1	Confident	81.7	Confident	83 Å²	83	72.5 Å²	72.5	58%	0.58	40%	0.404	S	S	*	.	H	α-helix	trans	-69.6	-37.9	176.1	-59.3	0	0	0	0	112	N1026 S1031 A1032	N1026-S1028 PolarHBondContact O-N 3.04Å; N1026-S1028 WeakPolarHBondContact OD1-CB 3.47Å; N1026-S1028 PolarHBondContact OD1-N 3.17Å; S1028-S1031 PolarHBondContact O-N 3.19Å; S1028-A1032 PolarHBondContact O-N 3.3Å
1029	H	82.2	Confident	80.5	Confident	107 Å²	107	68.8 Å²	68.8	50%	0.495	39%	0.394	S	S	.	.	H	α-helix	trans	-71.4	-45.1	176.3	-64.1	-173.2	0	0	0	109.8	F1024 N1026 S1031 A1032 H1033	F1024-H1029 HydrophobicContact CD1-CB 4.02Å; N1026-H1029 HydrophobicContact CB-CB 4.28Å; N1026-H1029 PolarHBondContact ND2-CD2 2.79Å; N1026-H1029 PolarHBondContact ND2-NE2 2.96Å; N1026-H1029 VanDerWaalsContact ND2-NE2 3.17Å; N1026-H1029 PolarHBondContact O-N 3.5Å; H1029-S1031 VanDerWaalsContact C-N 3.29Å; H1029-S1031 PolarHBondContact O-N 3Å; H1029-A1032 WeakPolarHBondContact O-CB 3.29Å; H1029-A1032 PolarHBondContact O-N 3.2Å; H1029-H1033 WeakPolarHBondContact O-CB 3.39Å; H1029-H1033 PolarHBondContact O-N 2.98Å
1030	F	84.7	Confident	78.9	Confident	34 Å²	34	66.4 Å²	66.4	15%	0.149	40%	0.399	C	S	.	.	H	α-helix	trans	-55.5	-41.4	171.7	172.2	-129.4	0	0	0	112.8	Y1015 K1016 C1017 F1024 N1026 A1032 H1033 R1034	Y1015-F1030 HydrophobicContact CD1-CD1 4.26Å; Y1015-F1030 HydrophobicContact CG-CB 4.37Å; Y1015-F1030 HydrophobicContact CG-CD1 4.3Å; K1016-F1030 WeakPolarHBondContact O-CE2 3.5Å; C1017-F1030 HydrophobicContact CB-CE2 4.13Å; F1024-F1030 HydrophobicContact CB-CB 4.11Å; F1024-F1030 HydrophobicContact CD2-CB 4.14Å; F1024-F1030 HydrophobicContact CD2-CD2 4.16Å; F1024-F1030 HydrophobicContact CG-CB 4.22Å; N1026-F1030 PolarHBondContact O-N 3.17Å; F1030-A1032 VanDerWaalsContact C-N 3.32Å; F1030-H1033 PolarHBondContact O-N 2.88Å; F1030-R1034 WeakPolarHBondContact O-CB 3.26Å; F1030-R1034 PolarHBondContact O-N 3Å
1031	S	82.6	Confident	77	Confident	37 Å²	37	73.1 Å²	73.1	26%	0.259	42%	0.422	S	S	.	.	H	α-helix	trans	-82.8	-5	178.4	-57	0	0	0	0	114.2	S1027 S1028 H1029 R1034 R1035	S1027-S1031 VanDerWaalsContact O-CB 3.27Å; S1027-S1031 WeakPolarHBondContact O-CB 3.38Å; S1027-S1031 PolarHBondContact O-N 2.9Å; S1027-S1031 PolarHBondContact O-OG 2.97Å; S1028-S1031 PolarHBondContact O-N 3.19Å; H1029-S1031 VanDerWaalsContact C-N 3.29Å; H1029-S1031 PolarHBondContact O-N 3Å; S1031-R1034 PolarHBondContact OG-NH1 3.46Å; S1031-R1034 PolarHBondContact OG-NH2 2.84Å; S1031-R1035 PolarHBondContact O-NE 3.03Å
1032	A	83.3	Confident	75.1	Confident	39 Å²	39	74.6 Å²	74.6	32%	0.322	43%	0.428	S	S	.	.	H	α-helix	trans	-85.9	-48.6	162	0	0	0	0	0	110.2	S1028 H1029 F1030 R1034 R1035	S1028-A1032 PolarHBondContact O-N 3.3Å; H1029-A1032 WeakPolarHBondContact O-CB 3.29Å; H1029-A1032 PolarHBondContact O-N 3.2Å; F1030-A1032 VanDerWaalsContact C-N 3.32Å; A1032-R1034 PolarHBondContact O-N 3.24Å; A1032-R1035 WeakPolarHBondContact O-CB 3.41Å; A1032-R1035 PolarHBondContact O-N 3.46Å
1033	H	84.7	Confident	72.8	Confident	28 Å²	28	77.8 Å²	77.8	13%	0.13	47%	0.467	C	S	.	.	H	α-helix	trans	-58.6	-45.1	176.4	172.7	57.1	0	0	0	113.4	C1017 C1020 F1024 H1029 F1030 R1035 T1036 H1037	C1017-H1033 PolarHBondContact SG-NE2 2.93Å; C1017-H1033 VanDerWaalsContact SG-NE2 3.45Å; C1020-H1033 PolarHBondContact SG-CE1 3.31Å; C1020-H1033 PolarHBondContact SG-NE2 3.45Å; F1024-H1033 HydrophobicContact CE1-CB 4.12Å; F1024-H1033 HydrophobicContact CE2-CB 4.08Å; F1024-H1033 AromaticContact CE2-CD2 3.21Å; F1024-H1033 WeakPolarHBondContact CE2-CD2 3.23Å; F1024-H1033 AromaticContact CE2-CG 3.74Å; F1024-H1033 AromaticContact CE2-NE2 3.91Å; F1024-H1033 HydrophobicContact CZ-CB 3.61Å; F1024-H1033 AromaticContact CZ-CD2 3.34Å; F1024-H1033 WeakPolarHBondContact CZ-CD2 3.2Å; F1024-H1033 AromaticContact CZ-CG 3.37Å; F1024-H1033 AromaticContact CZ-NE2 3.99Å; H1029-H1033 WeakPolarHBondContact O-CB 3.39Å; H1029-H1033 PolarHBondContact O-N 2.98Å; F1030-H1033 PolarHBondContact O-N 2.88Å; H1033-R1035 PolarHBondContact O-N 2.99Å; H1033-T1036 PolarHBondContact O-N 3.18Å; H1033-T1036 PolarHBondContact O-OG1 3.07Å; H1033-H1037 AromaticContact CD2-NE2 3.98Å; H1033-H1037 AromaticContact CE1-CE1 3.5Å; H1033-H1037 PolarHBondContact CE1-CE1 2.9Å; H1033-H1037 VanDerWaalsContact CE1-CE1 3.5Å; H1033-H1037 AromaticContact CE1-NE2 3.17Å; H1033-H1037 PolarHBondContact CE1-NE2 2.69Å; H1033-H1037 AromaticContact NE2-CE1 3.86Å; H1033-H1037 AromaticContact NE2-NE2 3.09Å; H1033-H1037 PolarHBondContact NE2-NE2 2.94Å
1034	R	82.5	Confident	72.3	Confident	100 Å²	100	79.1 Å²	79.1	38%	0.377	48%	0.477	S	S	.	.	H	α-helix	trans	-60.9	-15.5	175.5	-167.4	172.5	64.8	-95.1	-4	113.7	F1030 S1031 A1032	F1030-R1034 WeakPolarHBondContact O-CB 3.26Å; F1030-R1034 PolarHBondContact O-N 3Å; S1031-R1034 PolarHBondContact OG-NH1 3.46Å; S1031-R1034 PolarHBondContact OG-NH2 2.84Å; A1032-R1034 PolarHBondContact O-N 3.24Å
1035	R	82.4	Confident	71.8	Confident	174 Å²	174	81.1 Å²	81.1	66%	0.657	49%	0.492	S	S	*	.	H	α-helix	trans	-84.3	-16.3	172	-68.9	-179.9	-74.8	130.4	-5	113.6	S1031 A1032 H1033 G1039	S1031-R1035 PolarHBondContact O-NE 3.03Å; A1032-R1035 WeakPolarHBondContact O-CB 3.41Å; A1032-R1035 PolarHBondContact O-N 3.46Å; H1033-R1035 PolarHBondContact O-N 2.99Å; R1035-G1039 PolarHBondContact O-N 3.11Å
1036	T	80.6	Confident	71.2	Confident	88 Å²	88	83.4 Å²	83.4	54%	0.54	51%	0.508	S	S	.	.	H	α-helix	trans	-71.8	-42.3	172.6	66.4	0	0	0	0	110.4	H1033 A1038 G1039 G1040	H1033-T1036 PolarHBondContact O-N 3.18Å; H1033-T1036 PolarHBondContact O-OG1 3.07Å; T1036-A1038 PolarHBondContact O-N 2.93Å; T1036-G1039 PolarHBondContact O-N 3.44Å; T1036-G1039 VanDerWaalsContact O-N 3.12Å; T1036-G1040 PolarHBondContact O-N 3.37Å
1037	H	78.4	Confident	70.6	Confident	48 Å²	48	86.9 Å²	86.9	22%	0.222	53%	0.53	C	S	.	.	H	α-helix	trans	-61.7	-41.5	174.4	-57.5	-39.2	0	0	0	112.5	C1017 E1019 C1020 H1033 G1039 G1040	C1017-H1037 PolarHBondContact SG-NE2 3.22Å; E1019-H1037 IonicContact OE2-CD2 2.89Å; E1019-H1037 PolarHBondContact OE2-CD2 3.09Å; E1019-H1037 VanDerWaalsContact OE2-CD2 3.27Å; E1019-H1037 IonicContact OE2-CG 3.77Å; C1020-H1037 VanDerWaalsContact SG-CE1 3.56Å; C1020-H1037 PolarHBondContact SG-NE2 3.11Å; C1020-H1037 VanDerWaalsContact SG-NE2 3.39Å; H1033-H1037 AromaticContact CD2-NE2 3.98Å; H1033-H1037 AromaticContact CE1-CE1 3.5Å; H1033-H1037 PolarHBondContact CE1-CE1 2.9Å; H1033-H1037 VanDerWaalsContact CE1-CE1 3.5Å; H1033-H1037 AromaticContact CE1-NE2 3.17Å; H1033-H1037 PolarHBondContact CE1-NE2 2.69Å; H1033-H1037 AromaticContact NE2-CE1 3.86Å; H1033-H1037 AromaticContact NE2-NE2 3.09Å; H1033-H1037 PolarHBondContact NE2-NE2 2.94Å; H1037-G1039 PolarHBondContact O-N 2.96Å; H1037-G1040 PolarHBondContact O-N 3.16Å
1038	A	67.7	Low	69.9	Low	83 Å²	83	89.3 Å²	89.3	69%	0.686	54%	0.542	S	S	*	.	H	α-helix	trans	-70	-16.8	176.1	0	0	0	0	0	114.3	T1036	T1036-A1038 PolarHBondContact O-N 2.93Å
1039	G	57.6	Low	69.2	Low	62 Å²	62	89.7 Å²	89.7	64%	0.639	54%	0.539	S	S	*	.	H	α-helix	trans	-90.8	-20.9	176	0	0	0	0	0	114.2	R1035 T1036 H1037 K1041	R1035-G1039 PolarHBondContact O-N 3.11Å; T1036-G1039 PolarHBondContact O-N 3.44Å; T1036-G1039 VanDerWaalsContact O-N 3.12Å; H1037-G1039 PolarHBondContact O-N 2.96Å; G1039-K1041 PolarHBondContact O-N 2.64Å
1040	G	48.7	Very low	68.2	Low	61 Å²	61	88.4 Å²	88.4	63%	0.629	54%	0.542	S	S	*	.	S	Bend	trans	-89.1	20.9	-173.4	0	0	0	0	0	116	T1036 H1037	T1036-G1040 PolarHBondContact O-N 3.37Å; H1037-G1040 PolarHBondContact O-N 3.16Å
1041	K	45.9	Very low	67	Low	195 Å²	195	92.6 Å²	92.6	85%	0.848	57%	0.573	S	S	*	*			trans	-125.4	64.7	179.6	-70.5	-170.3	176.3	-178.6	0	111.8	G1039	G1039-K1041 PolarHBondContact O-N 2.64Å
1042	A	41.1	Very low	65.7	Low	91 Å²	91	97.3 Å²	97.3	75%	0.752	60%	0.599	S	S	*	*			trans	-144	88.1	166.5	0	0	0	0	0	108.2
1043	S	35.2	Very low	64.1	Low	198 Å²	198	102.5 Å²	102.5	100%	1.385	62%	0.624	S	S	*	*			trans	-150.1	0	174.1	-57	0	0	0	0	107.3

Retrieved 1,043 of 1,043 residues in 162.8 ms (Link to these results)

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